A0A5K4FDP7_SCHMA Loading...

MAGUK p55 subfamily member 6-like

AlphaFold DB , UniProt , Accession A0A5K4FDP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 638 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
1M32.5Very low61.5Low246 Ų246107.1 Ų107.1100%1.21253%0.528SS*.  08.10-129.9179.8-17000115.9
2K34Very low63.4Low195 Ų195107.5 Ų107.585%0.84853%0.525SS*.  trans-143.9116.4164.4-71.9-173.9179175.90109.9
3Q37.6Very low64.9Low157 Ų157104.5 Ų104.573%0.73452%0.516SS*.  trans75.9137.9174.6-52.8-178.7-7.900114.7
4R55Low66.3Low123 Ų123101 Ų10146%0.46450%0.497SS..  cis-156.5134.731.4-94.6104.2-163.1-118.810.1107.8S6 A8R4-S6 PolarHBondContact O-N 3.46Å; R4-A8 HydrophobicContact CB-CB 3.84Å; R4-A8 HydrophobicContact CG-CB 3.59Å
5H63Low67.5Low111 Ų111104.5 Ų104.551%0.51451%0.508SS..  trans-38.2138.6154.3-66.5-89000110V7 A8 A9H5-V7 PolarHBondContact O-N 3.47Å; H5-A8 WeakPolarHBondContact O-CA 3.06Å; H5-A8 WeakPolarHBondContact O-CB 3.36Å; H5-A8 PolarHBondContact O-N 3.13Å; H5-A9 PolarHBondContact O-N 3.21Å
6S68.7Low68.5Low32 Ų32102 Ų10222%0.22450%0.498CS..Hα-helixtrans-54.6-27.5179.5-550000111.2R4 A8 A9 L10 V42 D46R4-S6 PolarHBondContact O-N 3.46Å; S6-A8 PolarHBondContact O-N 3.02Å; S6-A9 WeakPolarHBondContact O-CB 3.29Å; S6-A9 PolarHBondContact O-N 3.18Å; S6-L10 PolarHBondContact O-N 2.83Å; S6-V42 VanDerWaalsContact CB-CG1 3.43Å; S6-D46 WeakPolarHBondContact CA-OD2 3.38Å; S6-D46 WeakPolarHBondContact CB-OD1 3.45Å; S6-D46 WeakPolarHBondContact CB-OD2 3.42Å; S6-D46 VanDerWaalsContact N-CG 3.27Å; S6-D46 PolarHBondContact N-OD1 2.61Å; S6-D46 PolarHBondContact N-OD2 2.88Å; S6-D46 PolarHBondContact OG-OD1 3.5Å
7V72.1Confident69.5Low52 Ų5296.9 Ų96.932%0.31547%0.473SS..Hα-helixtrans-58-42.6169.6178.10000113H5 L10 K11 V42 D46H5-V7 PolarHBondContact O-N 3.47Å; V7-L10 PolarHBondContact O-N 2.87Å; V7-K11 WeakPolarHBondContact O-CG 3.08Å; V7-K11 PolarHBondContact O-N 2.87Å; V7-V42 HydrophobicContact CB-CG1 4.46Å; V7-V42 HydrophobicContact CG2-CG1 3.86Å; V7-V42 VanDerWaalsContact N-CG1 3.3Å; V7-D46 PolarHBondContact N-OD2 3.36Å
8A73.6Confident70.2Confident38 Ų38100.4 Ų100.431%0.31449%0.485SS..Hα-helixtrans-75.1-27.9178.300000112R4 H5 S6 K12R4-A8 HydrophobicContact CB-CB 3.84Å; R4-A8 HydrophobicContact CG-CB 3.59Å; H5-A8 WeakPolarHBondContact O-CA 3.06Å; H5-A8 WeakPolarHBondContact O-CB 3.36Å; H5-A8 PolarHBondContact O-N 3.13Å; S6-A8 PolarHBondContact O-N 3.02Å; A8-K12 PolarHBondContact O-N 3.27Å; A8-K12 VanDerWaalsContact O-N 3.11Å
9A77.6Confident70.9Confident47 Ų47102.9 Ų102.939%0.38849%0.494SS..Hα-helixtrans-65.3-47168.200000111H5 S6 K11 K12 V13H5-A9 PolarHBondContact O-N 3.21Å; S6-A9 WeakPolarHBondContact O-CB 3.29Å; S6-A9 PolarHBondContact O-N 3.18Å; A9-K11 PolarHBondContact O-N 3.41Å; A9-K12 WeakPolarHBondContact O-CA 3.38Å; A9-K12 WeakPolarHBondContact O-CB 3.4Å; A9-K12 PolarHBondContact O-N 2.8Å; A9-V13 WeakPolarHBondContact O-CG2 3.42Å; A9-V13 PolarHBondContact O-N 3.02Å
10L80.5Confident71.5Confident30 Ų30104 Ų10416%0.15750%0.498CS..Hα-helixtrans-57.8-45.7175.9-17865.8000111.7S6 V7 K12 V13 K14 L33 V42S6-L10 PolarHBondContact O-N 2.83Å; V7-L10 PolarHBondContact O-N 2.87Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 3.18Å; L10-V13 PolarHBondContact O-N 3.15Å; L10-K14 HydrophobicContact CG-CD 4.37Å; L10-K14 WeakPolarHBondContact O-CG 3.3Å; L10-K14 PolarHBondContact O-N 2.62Å; L10-L33 HydrophobicContact CD1-CB 4.49Å; L10-L33 HydrophobicContact CD1-CD2 4.12Å; L10-V42 HydrophobicContact CD2-CG2 4.29Å
11K82.3Confident72Confident147 Ų147104.6 Ų104.664%0.63950%0.498SS*.Hα-helixtrans-58.1-41.2174.5-74.6177.2-178.3175.50112.2V7 A9 K15V7-K11 WeakPolarHBondContact O-CG 3.08Å; V7-K11 PolarHBondContact O-N 2.87Å; A9-K11 PolarHBondContact O-N 3.41Å; K11-K15 WeakPolarHBondContact O-CB 3Å; K11-K15 PolarHBondContact O-N 2.69Å; K11-K15 VanDerWaalsContact O-N 3.09Å
12K83.3Confident74.1Confident112 Ų112100.8 Ų100.849%0.48748%0.483SS..Hα-helixtrans-66.4-42.9177.4-168.8-176.5-176.5-174.20111.4A8 A9 L10 K15 N16A8-K12 PolarHBondContact O-N 3.27Å; A8-K12 VanDerWaalsContact O-N 3.11Å; A9-K12 WeakPolarHBondContact O-CA 3.38Å; A9-K12 WeakPolarHBondContact O-CB 3.4Å; A9-K12 PolarHBondContact O-N 2.8Å; L10-K12 VanDerWaalsContact C-N 3.3Å; L10-K12 PolarHBondContact O-N 3.18Å; K12-K15 PolarHBondContact O-N 2.81Å; K12-N16 WeakPolarHBondContact O-CB 3.47Å; K12-N16 VanDerWaalsContact O-CG 3.25Å; K12-N16 PolarHBondContact O-N 2.85Å
13V83.2Confident76.5Confident68 Ų6895.4 Ų95.441%0.41246%0.464SS..Hα-helixtrans-60.2-50.3176.8171.40000110.5A9 L10 K15 N16 I17 L33A9-V13 WeakPolarHBondContact O-CG2 3.42Å; A9-V13 PolarHBondContact O-N 3.02Å; L10-V13 PolarHBondContact O-N 3.15Å; V13-K15 VanDerWaalsContact C-N 3.32Å; V13-K15 PolarHBondContact O-N 2.74Å; V13-N16 PolarHBondContact O-N 3.45Å; V13-N16 VanDerWaalsContact O-N 3.08Å; V13-I17 HydrophobicContact CG1-CD1 3.7Å; V13-I17 HydrophobicContact CG1-CG1 4.32Å; V13-I17 WeakPolarHBondContact O-CG1 3.29Å; V13-I17 PolarHBondContact O-N 2.76Å; V13-L33 HydrophobicContact CG1-CD1 4.01Å
14K84.4Confident78.6Confident56 Ų5695.5 Ų95.524%0.24346%0.464CS..Hα-helixtrans-57-44.3177.2-6817771.6171.80112.5L10 N16 I17 K18 L33 S34L10-K14 HydrophobicContact CG-CD 4.37Å; L10-K14 WeakPolarHBondContact O-CG 3.3Å; L10-K14 PolarHBondContact O-N 2.62Å; K14-N16 VanDerWaalsContact C-N 3.33Å; K14-N16 PolarHBondContact O-N 3.34Å; K14-I17 PolarHBondContact O-N 3.27Å; K14-K18 PolarHBondContact O-N 2.88Å; K14-L33 WeakPolarHBondContact CD-O 3.38Å; K14-L33 HydrophobicContact CG-CB 4.14Å; K14-S34 WeakPolarHBondContact CE-OG 3.36Å; K14-S34 VanDerWaalsContact NZ-CA 3.33Å; K14-S34 PolarHBondContact NZ-OG 3.38Å
15K84.5Confident79.7Confident153 Ų15395.7 Ų95.767%0.66547%0.474SS*.Hα-helixtrans-63-40.1176.7-174.4175.8-179.4175.40111.9K11 K12 V13 K19K11-K15 WeakPolarHBondContact O-CB 3Å; K11-K15 PolarHBondContact O-N 2.69Å; K11-K15 VanDerWaalsContact O-N 3.09Å; K12-K15 PolarHBondContact O-N 2.81Å; V13-K15 VanDerWaalsContact C-N 3.32Å; V13-K15 PolarHBondContact O-N 2.74Å; K15-K19 VanDerWaalsContact O-CB 3.26Å; K15-K19 WeakPolarHBondContact O-CB 3.17Å; K15-K19 PolarHBondContact O-N 2.88Å; K15-K19 VanDerWaalsContact O-N 3.11Å
16N84.2Confident80.5Confident65 Ų6590.8 Ų90.835%0.34845%0.453SS..Hα-helixtrans-69.9-41.3179.5-75.5-5.1000112K12 V13 K14 K18 K19 H20K12-N16 WeakPolarHBondContact O-CB 3.47Å; K12-N16 VanDerWaalsContact O-CG 3.25Å; K12-N16 PolarHBondContact O-N 2.85Å; V13-N16 PolarHBondContact O-N 3.45Å; V13-N16 VanDerWaalsContact O-N 3.08Å; K14-N16 VanDerWaalsContact C-N 3.33Å; K14-N16 PolarHBondContact O-N 3.34Å; N16-K18 PolarHBondContact O-N 3.36Å; N16-K19 PolarHBondContact O-N 3.21Å; N16-K19 VanDerWaalsContact O-N 3.12Å; N16-H20 WeakPolarHBondContact O-CB 3.39Å; N16-H20 PolarHBondContact O-CD2 2.9Å; N16-H20 PolarHBondContact O-N 2.88Å
17I84.5Confident81.1Confident15 Ų1592.9 Ų92.98%0.07747%0.468CS..Hα-helixtrans-56.8-51.5176.3-68.4166.1000109.7V13 K14 K19 F21 A26 L29 H30 L33V13-I17 HydrophobicContact CG1-CD1 3.7Å; V13-I17 HydrophobicContact CG1-CG1 4.32Å; V13-I17 WeakPolarHBondContact O-CG1 3.29Å; V13-I17 PolarHBondContact O-N 2.76Å; K14-I17 PolarHBondContact O-N 3.27Å; I17-K19 PolarHBondContact O-N 3.41Å; I17-F21 PolarHBondContact O-N 2.83Å; I17-F21 VanDerWaalsContact O-N 3.12Å; I17-A26 HydrophobicContact CG2-CB 3.89Å; I17-A26 WeakPolarHBondContact CG2-O 3.34Å; I17-L29 HydrophobicContact CD1-CD2 3.74Å; I17-L29 HydrophobicContact CD1-CG 4.01Å; I17-L29 HydrophobicContact CG1-CD2 4.41Å; I17-H30 HydrophobicContact CG2-CB 4.03Å; I17-L33 HydrophobicContact CD1-CD1 3.42Å; I17-L33 VanDerWaalsContact CD1-CD1 3.42Å
18K82.1Confident81.5Confident160 Ų16094.7 Ų94.770%0.69647%0.473SS*.Hα-helixtrans-64.7-25.4178.7-171173.8-179.6177.20113.9K14 N16K14-K18 PolarHBondContact O-N 2.88Å; N16-K18 PolarHBondContact O-N 3.36Å
19K83.2Confident81.8Confident149 Ų14997 Ų9765%0.64848%0.48SS*.Hα-helixtrans-87.5-36.6-176.6-175-179.3177.2-168.70112.8K15 N16 I17K15-K19 VanDerWaalsContact O-CB 3.26Å; K15-K19 WeakPolarHBondContact O-CB 3.17Å; K15-K19 PolarHBondContact O-N 2.88Å; K15-K19 VanDerWaalsContact O-N 3.11Å; N16-K19 PolarHBondContact O-N 3.21Å; N16-K19 VanDerWaalsContact O-N 3.12Å; I17-K19 PolarHBondContact O-N 3.41Å
20H83.8Confident82.2Confident124 Ų12497.5 Ų97.557%0.57447%0.474SS*.Hα-helixtrans-108.6-16.7-167.4-70.8-75000114N16N16-H20 WeakPolarHBondContact O-CB 3.39Å; N16-H20 PolarHBondContact O-CD2 2.9Å; N16-H20 PolarHBondContact O-N 2.88Å
21F82.4Confident82.3Confident116 Ų116101.8 Ų101.851%0.50949%0.491SS..  trans-125.3133-175-55.8-93.2000110.3I17 A26I17-F21 PolarHBondContact O-N 2.83Å; I17-F21 VanDerWaalsContact O-N 3.12Å; F21-A26 HydrophobicContact CB-CB 3.35Å; F21-A26 HydrophobicContact CG-CB 4.31Å
22N76.7Confident82.2Confident166 Ų16696.7 Ų96.789%0.88847%0.472SS*.  trans-122.915-177.7-82.6-8.2000112.3
23D83.6Confident82.1Confident82 Ų8292.5 Ų92.544%0.43946%0.455SS..SBendtrans-88.4165.4178.255.818.1000112D25 A26 S27D23-D25 PolarHBondContact O-N 3.38Å; D23-A26 PolarHBondContact O-N 2.77Å; D23-A26 WeakPolarHBondContact OD1-CA 3.39Å; D23-A26 WeakPolarHBondContact OD1-CB 3.24Å; D23-A26 PolarHBondContact OD1-N 3.34Å; D23-S27 PolarHBondContact O-N 2.87Å
24Q81.7Confident82Confident160 Ų16091.7 Ų91.775%0.74845%0.452SS*.Hα-helixtrans-64-33.8-180-173.1162.8-12.600111.5S27 E28Q24-S27 WeakPolarHBondContact O-CB 3.26Å; Q24-S27 PolarHBondContact O-N 2.86Å; Q24-E28 PolarHBondContact O-N 3.31Å
25D78.5Confident81.7Confident126 Ų12691.7 Ų91.767%0.67445%0.452SS*.Hα-helixtrans-67.3-40.6178.6-63.5-24.3000112D23 S27 E28 L29D23-D25 PolarHBondContact O-N 3.38Å; D25-S27 VanDerWaalsContact C-N 3.31Å; D25-S27 PolarHBondContact O-N 2.9Å; D25-E28 PolarHBondContact O-N 2.96Å; D25-L29 WeakPolarHBondContact O-CB 3.3Å; D25-L29 PolarHBondContact O-N 2.87Å
26A80.3Confident81.5Confident9 Ų991 Ų917%0.07445%0.449CS..Hα-helixtrans-66.6-33.3173.800000112.7I17 F21 D23 H30I17-A26 HydrophobicContact CG2-CB 3.89Å; I17-A26 WeakPolarHBondContact CG2-O 3.34Å; F21-A26 HydrophobicContact CB-CB 3.35Å; F21-A26 HydrophobicContact CG-CB 4.31Å; D23-A26 PolarHBondContact O-N 2.77Å; D23-A26 WeakPolarHBondContact OD1-CA 3.39Å; D23-A26 WeakPolarHBondContact OD1-CB 3.24Å; D23-A26 PolarHBondContact OD1-N 3.34Å; A26-H30 WeakPolarHBondContact O-CB 3.4Å; A26-H30 PolarHBondContact O-N 3.43Å
27S80.7Confident81.2Confident76 Ų7688.9 Ų88.953%0.53144%0.438SS..Hα-helixtrans-65.1-45.9174.2-170.80000111.2D23 Q24 D25 H30 K31D23-S27 PolarHBondContact O-N 2.87Å; Q24-S27 WeakPolarHBondContact O-CB 3.26Å; Q24-S27 PolarHBondContact O-N 2.86Å; D25-S27 VanDerWaalsContact C-N 3.31Å; D25-S27 PolarHBondContact O-N 2.9Å; S27-H30 PolarHBondContact O-N 3.39Å; S27-K31 WeakPolarHBondContact O-CB 3.3Å; S27-K31 PolarHBondContact O-N 3.33Å
28E80.6Confident80.9Confident89 Ų8991 Ų9142%0.41645%0.447SS..Hα-helixtrans-65.2-42.8175.2-74.5-59.8141.200111.7Q24 D25 H30 K31 V32Q24-E28 PolarHBondContact O-N 3.31Å; D25-E28 PolarHBondContact O-N 2.96Å; E28-H30 PolarHBondContact O-N 3.25Å; E28-K31 WeakPolarHBondContact O-CB 3.43Å; E28-K31 PolarHBondContact O-N 3.34Å; E28-K31 VanDerWaalsContact O-N 3.15Å; E28-K31 IonicContact OE1-NZ 3.76Å; E28-K31 PolarHBondContact OE1-NZ 2.97Å; E28-K31 IonicContact OE2-NZ 3.14Å; E28-V32 VanDerWaalsContact O-CG2 3.31Å; E28-V32 WeakPolarHBondContact O-CG2 3.47Å; E28-V32 PolarHBondContact O-N 3.38Å
29L80.4Confident80.8Confident88 Ų8884.8 Ų84.846%0.46143%0.428SS..Hα-helixtrans-61.8-43.8175.2-176.264.4000111.9I17 D25 K31 V32 L33I17-L29 HydrophobicContact CD1-CD2 3.74Å; I17-L29 HydrophobicContact CD1-CG 4.01Å; I17-L29 HydrophobicContact CG1-CD2 4.41Å; D25-L29 WeakPolarHBondContact O-CB 3.3Å; D25-L29 PolarHBondContact O-N 2.87Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 3.47Å; L29-V32 PolarHBondContact O-N 2.88Å; L29-L33 HydrophobicContact CD1-CD1 4.21Å; L29-L33 HydrophobicContact CD1-CG 4.31Å; L29-L33 HydrophobicContact CG-CD1 4.03Å; L29-L33 HydrophobicContact CG-CG 4.49Å; L29-L33 WeakPolarHBondContact O-CB 3.12Å; L29-L33 WeakPolarHBondContact O-CG 3.44Å; L29-L33 PolarHBondContact O-N 3.05Å
30H85.4Confident80.7Confident56 Ų5678.4 Ų78.426%0.25940%0.401SS..Hα-helixtrans-62.2-37.9175.5-179.8-82.7000111.4I17 A26 S27 E28 S34I17-H30 HydrophobicContact CG2-CB 4.03Å; A26-H30 WeakPolarHBondContact O-CB 3.4Å; A26-H30 PolarHBondContact O-N 3.43Å; S27-H30 PolarHBondContact O-N 3.39Å; E28-H30 PolarHBondContact O-N 3.25Å; H30-S34 PolarHBondContact CE1-OG 2.77Å; H30-S34 WeakPolarHBondContact O-CB 3.18Å; H30-S34 PolarHBondContact O-N 2.84Å; H30-S34 PolarHBondContact O-OG 2.92Å
31K83Confident80.6Confident121 Ų12175.3 Ų75.353%0.52639%0.388SS..Hα-helixtrans-66.8-42.8176.4-173.6-177.8175.9-168.70111.5S27 E28 L29 S34 K35S27-K31 WeakPolarHBondContact O-CB 3.3Å; S27-K31 PolarHBondContact O-N 3.33Å; E28-K31 WeakPolarHBondContact O-CB 3.43Å; E28-K31 PolarHBondContact O-N 3.34Å; E28-K31 VanDerWaalsContact O-N 3.15Å; E28-K31 IonicContact OE1-NZ 3.76Å; E28-K31 PolarHBondContact OE1-NZ 2.97Å; E28-K31 IonicContact OE2-NZ 3.14Å; L29-K31 VanDerWaalsContact C-N 3.28Å; L29-K31 PolarHBondContact O-N 3.47Å; K31-S34 PolarHBondContact O-N 2.91Å; K31-K35 PolarHBondContact O-N 3.22Å
32V78.9Confident80.6Confident39 Ų3970.9 Ų70.924%0.23637%0.371CS..Hα-helixtrans-62.7-52.2175.5171.70000111E28 L29 S34 K35 F38 L78E28-V32 VanDerWaalsContact O-CG2 3.31Å; E28-V32 WeakPolarHBondContact O-CG2 3.47Å; E28-V32 PolarHBondContact O-N 3.38Å; L29-V32 PolarHBondContact O-N 2.88Å; V32-S34 PolarHBondContact O-N 3.25Å; V32-S34 VanDerWaalsContact O-N 3.09Å; V32-K35 WeakPolarHBondContact O-CB 3.29Å; V32-K35 PolarHBondContact O-N 3.01Å; V32-F38 HydrophobicContact CG1-CD2 4.35Å; V32-F38 HydrophobicContact CG1-CE2 3.49Å; V32-F38 VanDerWaalsContact CG1-CE2 3.49Å; V32-F38 HydrophobicContact CG1-CZ 4.06Å; V32-F38 WeakPolarHBondContact O-CD2 3.42Å; V32-L78 HydrophobicContact CG1-CD1 4.47Å; V32-L78 HydrophobicContact CG1-CD2 4.31Å
33L81Confident80.7Confident25 Ų2566.2 Ų66.213%0.13134%0.343CS..THydrogen-bonded Turntrans-67.2-9.3177.2-64.9174.2000113.5L10 V13 K14 I17 L29 F38L10-L33 HydrophobicContact CD1-CB 4.49Å; L10-L33 HydrophobicContact CD1-CD2 4.12Å; V13-L33 HydrophobicContact CG1-CD1 4.01Å; K14-L33 WeakPolarHBondContact CD-O 3.38Å; K14-L33 HydrophobicContact CG-CB 4.14Å; I17-L33 HydrophobicContact CD1-CD1 3.42Å; I17-L33 VanDerWaalsContact CD1-CD1 3.42Å; L29-L33 HydrophobicContact CD1-CD1 4.21Å; L29-L33 HydrophobicContact CD1-CG 4.31Å; L29-L33 HydrophobicContact CG-CD1 4.03Å; L29-L33 HydrophobicContact CG-CG 4.49Å; L29-L33 WeakPolarHBondContact O-CB 3.12Å; L29-L33 WeakPolarHBondContact O-CG 3.44Å; L29-L33 PolarHBondContact O-N 3.05Å; L33-F38 HydrophobicContact CD2-CD1 4.34Å; L33-F38 HydrophobicContact CD2-CE1 4.42Å
34S82Confident80.5Confident51 Ų5162.8 Ų62.836%0.35733%0.325SS..THydrogen-bonded Turntrans-92.4-7.4173.9-63.90000114.4K14 H30 K31 V32K14-S34 WeakPolarHBondContact CE-OG 3.36Å; K14-S34 VanDerWaalsContact NZ-CA 3.33Å; K14-S34 PolarHBondContact NZ-OG 3.38Å; H30-S34 PolarHBondContact CE1-OG 2.77Å; H30-S34 WeakPolarHBondContact O-CB 3.18Å; H30-S34 PolarHBondContact O-N 2.84Å; H30-S34 PolarHBondContact O-OG 2.92Å; K31-S34 PolarHBondContact O-N 2.91Å; V32-S34 PolarHBondContact O-N 3.25Å; V32-S34 VanDerWaalsContact O-N 3.09Å
35K79.1Confident80.4Confident56 Ų5660.8 Ų60.824%0.24331%0.314CS..SBendtrans-67.4142.5174.5-69.4175.3173.3175.60110.3K31 V32 L37 F38 P77 L78K31-K35 PolarHBondContact O-N 3.22Å; V32-K35 WeakPolarHBondContact O-CB 3.29Å; V32-K35 PolarHBondContact O-N 3.01Å; K35-L37 PolarHBondContact O-N 2.87Å; K35-F38 PolarHBondContact O-N 2.86Å; K35-P77 HydrophobicContact CD-CG 4.12Å; K35-P77 PolarHBondContact NZ-O 2.78Å; K35-L78 HydrophobicContact CD-CD1 3.54Å; K35-L78 HydrophobicContact CD-CD2 4.41Å; K35-L78 HydrophobicContact CD-CG 3.73Å
36K79.6Confident80.3Confident139 Ų13955.4 Ų55.460%0.60429%0.285SS*.Hα-helixtrans-54-36.8-180-166.3-175.7-177.2-167.60112.2F38 G39 N40 D68K36-F38 VanDerWaalsContact C-N 3.34Å; K36-F38 PolarHBondContact O-N 2.87Å; K36-G39 WeakPolarHBondContact O-CA 3.48Å; K36-G39 PolarHBondContact O-N 3.44Å; K36-N40 PolarHBondContact O-N 3.22Å; K36-N40 VanDerWaalsContact O-N 3.09Å; K36-N40 PolarHBondContact O-OD1 3.41Å; K36-D68 IonicContact NZ-OD2 2.71Å; K36-D68 PolarHBondContact NZ-OD2 2.82Å
37L78.4Confident80.1Confident20 Ų2057.5 Ų57.511%0.10530%0.295CS..Hα-helixtrans-50.2-46.2178.4178.8139.3000113.7K35 G39 N40 L41 L69 A72 L73 L78K35-L37 PolarHBondContact O-N 2.87Å; L37-G39 VanDerWaalsContact C-N 3.29Å; L37-G39 PolarHBondContact O-N 3.15Å; L37-N40 PolarHBondContact O-N 2.83Å; L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 2.82Å; L37-L69 HydrophobicContact CD1-CD1 4.11Å; L37-L69 HydrophobicContact CG-CD1 3.77Å; L37-A72 HydrophobicContact CB-CB 4.31Å; L37-A72 HydrophobicContact CD1-CB 3.62Å; L37-A72 HydrophobicContact CG-CB 4.47Å; L37-L73 HydrophobicContact CD1-CD2 4.01Å; L37-L73 HydrophobicContact CD1-CG 4.14Å; L37-L78 HydrophobicContact CD2-CD1 4.09Å
38F78.1Confident79.8Confident60 Ų6058.8 Ų58.826%0.26330%0.295SS..Hα-helixtrans-68.2-30.9178.9-83.9-80.8000112.5V32 L33 K35 K36 V42 L78V32-F38 HydrophobicContact CG1-CD2 4.35Å; V32-F38 HydrophobicContact CG1-CE2 3.49Å; V32-F38 VanDerWaalsContact CG1-CE2 3.49Å; V32-F38 HydrophobicContact CG1-CZ 4.06Å; V32-F38 WeakPolarHBondContact O-CD2 3.42Å; L33-F38 HydrophobicContact CD2-CD1 4.34Å; L33-F38 HydrophobicContact CD2-CE1 4.42Å; K35-F38 PolarHBondContact O-N 2.86Å; K36-F38 VanDerWaalsContact C-N 3.34Å; K36-F38 PolarHBondContact O-N 2.87Å; F38-V42 WeakPolarHBondContact O-CB 3.3Å; F38-V42 WeakPolarHBondContact O-CG2 3.34Å; F38-V42 PolarHBondContact O-N 3.48Å; F38-V42 VanDerWaalsContact O-N 3.17Å; F38-L78 HydrophobicContact CD2-CD1 4.27Å; F38-L78 HydrophobicContact CE2-CD1 3.71Å
39G79.9Confident79.4Confident29 Ų2957 Ų5730%0.29929%0.292SS..Hα-helixtrans-62.1-53172.300000111K36 L37 L41 V42 E43K36-G39 WeakPolarHBondContact O-CA 3.48Å; K36-G39 PolarHBondContact O-N 3.44Å; L37-G39 VanDerWaalsContact C-N 3.29Å; L37-G39 PolarHBondContact O-N 3.15Å; G39-L41 PolarHBondContact O-N 2.82Å; G39-V42 PolarHBondContact O-N 2.89Å; G39-E43 WeakPolarHBondContact O-CB 3.48Å; G39-E43 PolarHBondContact O-N 2.88Å
40N81.4Confident78.6Confident14 Ų1459.4 Ų59.48%0.07530%0.296CS..Hα-helixtrans-60.6-42.8-179.2-66.815.8000112.3K36 L37 E43 I44 I65 D68 L69K36-N40 PolarHBondContact O-N 3.22Å; K36-N40 VanDerWaalsContact O-N 3.09Å; K36-N40 PolarHBondContact O-OD1 3.41Å; L37-N40 PolarHBondContact O-N 2.83Å; N40-E43 PolarHBondContact O-N 2.84Å; N40-I44 WeakPolarHBondContact O-CG1 3.13Å; N40-I44 PolarHBondContact O-N 3.1Å; N40-I65 HydrophobicContact CB-CG2 3.8Å; N40-I65 PolarHBondContact ND2-O 3.38Å; N40-D68 WeakPolarHBondContact ND2-CB 3.43Å; N40-L69 HydrophobicContact CB-CB 4.35Å
41L81.3Confident77.2Confident60 Ų6062.6 Ų62.631%0.31432%0.321SS..Hα-helixtrans-64.5-42.7179.8-167.5153.9000111.5L37 G39 E43 I44 F45 L69 L90L37-L41 WeakPolarHBondContact O-CB 3.46Å; L37-L41 PolarHBondContact O-N 2.82Å; G39-L41 PolarHBondContact O-N 2.82Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-I44 PolarHBondContact O-N 3.42Å; L41-F45 WeakPolarHBondContact O-CB 3.46Å; L41-F45 PolarHBondContact O-N 2.81Å; L41-L69 HydrophobicContact CB-CD1 4.35Å; L41-L90 HydrophobicContact CD1-CD2 4.25Å
42V81.1Confident75.6Confident23 Ų2362.3 Ų62.314%0.13933%0.333CS..Hα-helixtrans-67.6-35.3178.1171.60000111.6S6 V7 L10 F38 G39 F45 D46S6-V42 VanDerWaalsContact CB-CG1 3.43Å; V7-V42 HydrophobicContact CB-CG1 4.46Å; V7-V42 HydrophobicContact CG2-CG1 3.86Å; V7-V42 VanDerWaalsContact N-CG1 3.3Å; L10-V42 HydrophobicContact CD2-CG2 4.29Å; F38-V42 WeakPolarHBondContact O-CB 3.3Å; F38-V42 WeakPolarHBondContact O-CG2 3.34Å; F38-V42 PolarHBondContact O-N 3.48Å; F38-V42 VanDerWaalsContact O-N 3.17Å; G39-V42 PolarHBondContact O-N 2.89Å; V42-F45 PolarHBondContact O-N 2.8Å; V42-D46 WeakPolarHBondContact O-CB 3.47Å; V42-D46 PolarHBondContact O-N 3.05Å
43E78.8Confident74.3Confident67 Ų6769.8 Ų69.831%0.31337%0.366SS..Hα-helixtrans-66.6-45.2176-172.4164.7-161.500111.9G39 N40 L41 F45 D46 L47 I65G39-E43 WeakPolarHBondContact O-CB 3.48Å; G39-E43 PolarHBondContact O-N 2.88Å; N40-E43 PolarHBondContact O-N 2.84Å; L41-E43 VanDerWaalsContact C-N 3.33Å; E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 3.17Å; E43-D46 PolarHBondContact O-N 3.1Å; E43-L47 WeakPolarHBondContact O-CG 3.47Å; E43-L47 PolarHBondContact O-N 3.21Å; E43-I65 HydrophobicContact CG-CD1 4.43Å
44I80.3Confident73Confident11 Ų1175.5 Ų75.56%0.05639%0.392CS..Hα-helixtrans-61.6-42.4172.6-70.6171.3000110.9N40 L41 L47 I48 L62 I65 L69 L94 W99N40-I44 WeakPolarHBondContact O-CG1 3.13Å; N40-I44 PolarHBondContact O-N 3.1Å; L41-I44 PolarHBondContact O-N 3.42Å; I44-L47 PolarHBondContact O-N 2.82Å; I44-I48 HydrophobicContact CG2-CD1 3.66Å; I44-I48 HydrophobicContact CG2-CG1 4.47Å; I44-I48 WeakPolarHBondContact O-CG1 3.41Å; I44-I48 PolarHBondContact O-N 3.23Å; I44-I48 VanDerWaalsContact O-N 3.1Å; I44-L62 HydrophobicContact CG1-CD1 4.15Å; I44-I65 HydrophobicContact CD1-CG2 4.17Å; I44-I65 HydrophobicContact CG1-CG2 4.16Å; I44-L69 HydrophobicContact CD1-CD2 3.63Å; I44-L94 HydrophobicContact CD1-CD2 4.27Å; I44-W99 HydrophobicContact CD1-CZ2 4.44Å; I44-W99 HydrophobicContact CG1-CZ2 4.41Å; I44-W99 HydrophobicContact CG2-CH2 3.73Å; I44-W99 HydrophobicContact CG2-CZ2 3.87Å
45F80.2Confident71.8Confident118 Ų11879 Ų7952%0.51841%0.411SS..Hα-helixtrans-63.6-42178.1-176.8-97.8000112.4L41 V42 E43 L47 I48 S49L41-F45 WeakPolarHBondContact O-CB 3.46Å; L41-F45 PolarHBondContact O-N 2.81Å; V42-F45 PolarHBondContact O-N 2.8Å; E43-F45 VanDerWaalsContact C-N 3.33Å; E43-F45 PolarHBondContact O-N 3.17Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.39Å; F45-I48 PolarHBondContact O-N 3.34Å; F45-S49 WeakPolarHBondContact CE1-OG 3.39Å; F45-S49 WeakPolarHBondContact CZ-OG 3.28Å; F45-S49 WeakPolarHBondContact O-CB 3.15Å; F45-S49 PolarHBondContact O-N 2.91Å; F45-S49 PolarHBondContact O-OG 3.44Å
46D75.8Confident70.8Confident13 Ų1378.5 Ų78.57%0.0741%0.413CS..Hα-helixtrans-61.9-40.3174.6-85.9-23.7000111S6 V7 V42 E43 I48 Y50S6-D46 WeakPolarHBondContact CA-OD2 3.38Å; S6-D46 WeakPolarHBondContact CB-OD1 3.45Å; S6-D46 WeakPolarHBondContact CB-OD2 3.42Å; S6-D46 VanDerWaalsContact N-CG 3.27Å; S6-D46 PolarHBondContact N-OD1 2.61Å; S6-D46 PolarHBondContact N-OD2 2.88Å; S6-D46 PolarHBondContact OG-OD1 3.5Å; V7-D46 PolarHBondContact N-OD2 3.36Å; V42-D46 WeakPolarHBondContact O-CB 3.47Å; V42-D46 PolarHBondContact O-N 3.05Å; E43-D46 PolarHBondContact O-N 3.1Å; D46-I48 PolarHBondContact O-N 3.47Å; D46-Y50 WeakPolarHBondContact O-CD2 3.44Å
47L75.2Confident70.1Confident53 Ų5377.7 Ų77.728%0.27742%0.416SS..Hα-helixtrans-64.2-40.2178.1-73167.4000113.2E43 I44 F45 L62 Y106E43-L47 WeakPolarHBondContact O-CG 3.47Å; E43-L47 PolarHBondContact O-N 3.21Å; I44-L47 PolarHBondContact O-N 2.82Å; F45-L47 VanDerWaalsContact C-N 3.32Å; F45-L47 PolarHBondContact O-N 3.39Å; L47-L62 HydrophobicContact CD1-CD1 3.61Å; L47-L62 HydrophobicContact CD1-CD2 4.19Å; L47-Y106 HydrophobicContact CD2-CE1 4.35Å; L47-Y106 HydrophobicContact CD2-CE2 4.21Å; L47-Y106 WeakPolarHBondContact CD2-OH 3.45Å
48I75.7Confident69.4Low102 Ų10284.8 Ų84.852%0.52345%0.448SS..Hα-helixtrans-82.4-32.4-176.5-58164.5000111.6I44 F45 D46 Y50 W99I44-I48 HydrophobicContact CG2-CD1 3.66Å; I44-I48 HydrophobicContact CG2-CG1 4.47Å; I44-I48 WeakPolarHBondContact O-CG1 3.41Å; I44-I48 PolarHBondContact O-N 3.23Å; I44-I48 VanDerWaalsContact O-N 3.1Å; F45-I48 PolarHBondContact O-N 3.34Å; D46-I48 PolarHBondContact O-N 3.47Å; I48-Y50 PolarHBondContact O-N 3.01Å; I48-W99 HydrophobicContact CD1-CH2 3.67Å; I48-W99 HydrophobicContact CD1-CZ3 3.61Å; I48-W99 HydrophobicContact CG1-CH2 3.99Å; I48-W99 HydrophobicContact CG1-CZ3 3.95Å
49S71.2Confident68.9Low52 Ų5288.4 Ų88.436%0.36447%0.471SS..Hα-helixtrans-77.3-19.8-172.6-610000114.1F45 P51F45-S49 WeakPolarHBondContact CE1-OG 3.39Å; F45-S49 WeakPolarHBondContact CZ-OG 3.28Å; F45-S49 WeakPolarHBondContact O-CB 3.15Å; F45-S49 PolarHBondContact O-N 2.91Å; F45-S49 PolarHBondContact O-OG 3.44Å; S49-P51 WeakPolarHBondContact O-CD 3.19Å
50Y65.1Low68.6Low139 Ų13987.9 Ų87.955%0.54546%0.462SS..SBendtrans-110.7107.3-178.2-70.4-74.6000110.9D46 I48 C52D46-Y50 WeakPolarHBondContact O-CD2 3.44Å; I48-Y50 PolarHBondContact O-N 3.01Å; Y50-C52 PolarHBondContact O-N 2.77Å
51P55.8Low68.7Low122 Ų12290.4 Ų90.479%0.79248%0.475SS*.  trans-66.695.3171.424.6-29.5000110.3S49 E53S49-P51 WeakPolarHBondContact O-CD 3.19Å; P51-E53 PolarHBondContact O-N 2.88Å
52C49.6Very low68.7Low115 Ų11587.6 Ų87.678%0.77746%0.46SS*.SBendtrans17.390.6155.3-168.40000118.7Y50Y50-C52 PolarHBondContact O-N 2.77Å
53E51.3Low68.9Low197 Ų19789.1 Ų89.192%0.92147%0.468SS*.  trans-125.81.9151.6-83.2-171.216900112.7P51P51-E53 PolarHBondContact O-N 2.88Å
54Q54Low69.2Low144 Ų14487.7 Ų87.767%0.67347%0.467SS*.SBendtrans-117.6136.9-176-66.6-175.6-9.800111.2
55V55.4Low69.4Low126 Ų12688.1 Ų88.176%0.76447%0.469SS*.PPolyproline II helixtrans-55.6128.5175.5-176.60000108.3N57V55-N57 PolarHBondContact O-N 3.14Å
56P58.4Low69.6Low44 Ų4483 Ų8329%0.28645%0.448SS..PPolyproline II helixtrans-50.5138.1171.8-25.734000110.3E58 Y106 T110P56-E58 PolarHBondContact O-N 2.89Å; P56-E58 VanDerWaalsContact O-N 3.12Å; P56-Y106 HydrophobicContact CB-CE2 4.37Å; P56-Y106 HydrophobicContact CG-CE2 4.36Å; P56-T110 HydrophobicContact CB-CG2 3.42Å; P56-T110 VanDerWaalsContact CB-CG2 3.42Å; P56-T110 HydrophobicContact CG-CG2 4.37Å
57N64.9Low70.1Confident123 Ų12388.7 Ų88.766%0.65847%0.472SS*.PPolyproline II helixtrans-59.2121.8172.9-79.9-18.7000109V55 D59 T60V55-N57 PolarHBondContact O-N 3.14Å; N57-D59 PolarHBondContact O-N 3.14Å; N57-T60 WeakPolarHBondContact CB-OG1 3.37Å; N57-T60 PolarHBondContact O-N 2.87Å; N57-T60 PolarHBondContact O-OG1 3.12Å
58E63.8Low70.4Confident168 Ų16888.8 Ų88.879%0.78547%0.473SS*.THydrogen-bonded Turntrans-50.4135.7170.8-64.2179.7170.500108.7P56P56-E58 PolarHBondContact O-N 2.89Å; P56-E58 VanDerWaalsContact O-N 3.12Å
59D68.3Low70.8Confident137 Ų13784 Ų8473%0.73345%0.448SS*.THydrogen-bonded Turntrans76.313.4-178.1-51.9-36.2000118N57 D61 T110N57-D59 PolarHBondContact O-N 3.14Å; D59-D61 PolarHBondContact O-N 3.44Å; D59-T110 PolarHBondContact N-O 2.8Å
60T73.3Confident71.3Confident18 Ų1882.8 Ų82.811%0.1144%0.438CS..  trans-79.5107.9176.1-50.40000112.2N57 L62 I65 Y106 T110N57-T60 WeakPolarHBondContact CB-OG1 3.37Å; N57-T60 PolarHBondContact O-N 2.87Å; N57-T60 PolarHBondContact O-OG1 3.12Å; T60-L62 PolarHBondContact O-N 3.1Å; T60-I65 HydrophobicContact CG2-CD1 4.1Å; T60-Y106 HydrophobicContact CG2-CE1 4.36Å; T60-T110 PolarHBondContact O-OG1 3.25Å
61D82.4Confident72.1Confident67 Ų6781 Ų8136%0.35844%0.435SS..  trans-88.790.9173.7-174.4-10.6000111.8D59 N63 A64 I65 T107D59-D61 PolarHBondContact O-N 3.44Å; D61-N63 VanDerWaalsContact C-N 3.27Å; D61-N63 PolarHBondContact O-N 3.5Å; D61-N63 WeakPolarHBondContact OD1-CB 3.36Å; D61-N63 PolarHBondContact OD1-N 3.5Å; D61-N63 VanDerWaalsContact OD1-N 3.09Å; D61-A64 HydrophobicContact CB-CB 4.08Å; D61-A64 VanDerWaalsContact CG-CB 3.43Å; D61-A64 PolarHBondContact O-N 3.1Å; D61-A64 PolarHBondContact OD1-N 3.39Å; D61-A64 VanDerWaalsContact OD2-CB 3.29Å; D61-A64 WeakPolarHBondContact OD2-CB 2.98Å; D61-I65 WeakPolarHBondContact O-CD1 3.43Å; D61-I65 VanDerWaalsContact O-CG1 3.27Å; D61-I65 WeakPolarHBondContact O-CG1 3.12Å; D61-I65 PolarHBondContact O-N 3.46Å; D61-I65 VanDerWaalsContact O-N 3.14Å; D61-T107 HydrophobicContact CB-CG2 4.33Å; D61-T107 WeakPolarHBondContact OD1-CG2 3.36Å
62L83.1Confident73.1Confident0 Ų076.3 Ų76.30%041%0.407CS..Hα-helixtrans-69.8-26.3-179.4-173.257.2000112.4I44 L47 T60 T66 F102 Y106 T107I44-L62 HydrophobicContact CG1-CD1 4.15Å; L47-L62 HydrophobicContact CD1-CD1 3.61Å; L47-L62 HydrophobicContact CD1-CD2 4.19Å; T60-L62 PolarHBondContact O-N 3.1Å; L62-T66 WeakPolarHBondContact O-CB 3.34Å; L62-T66 PolarHBondContact O-N 3.28Å; L62-T66 PolarHBondContact O-OG1 3.1Å; L62-F102 HydrophobicContact CD2-CD1 4.35Å; L62-F102 HydrophobicContact CD2-CE1 3.91Å; L62-Y106 HydrophobicContact CB-CD1 3.81Å; L62-Y106 HydrophobicContact CB-CE1 4.47Å; L62-Y106 HydrophobicContact CD2-CD1 3.76Å; L62-Y106 HydrophobicContact CD2-CE1 4.44Å; L62-Y106 HydrophobicContact CD2-CG 3.88Å; L62-Y106 HydrophobicContact CG-CD1 4.42Å; L62-T107 PolarHBondContact N-OG1 3.15Å; L62-T107 VanDerWaalsContact N-OG1 3.15Å
63N84Confident74.3Confident56 Ų5671.2 Ų71.230%0.29937%0.372SS..Hα-helixtrans-66.4-47.1174.8-89.1-15.8000111.2D61 T66 K67 S103 T104 T107D61-N63 VanDerWaalsContact C-N 3.27Å; D61-N63 PolarHBondContact O-N 3.5Å; D61-N63 WeakPolarHBondContact OD1-CB 3.36Å; D61-N63 PolarHBondContact OD1-N 3.5Å; D61-N63 VanDerWaalsContact OD1-N 3.09Å; N63-T66 PolarHBondContact O-N 3.21Å; N63-K67 WeakPolarHBondContact O-CB 3.34Å; N63-K67 PolarHBondContact O-N 2.83Å; N63-S103 VanDerWaalsContact OD1-C 3.27Å; N63-S103 VanDerWaalsContact OD1-CB 3.22Å; N63-S103 WeakPolarHBondContact OD1-CB 3.17Å; N63-S103 PolarHBondContact OD1-OG 3.03Å; N63-T104 WeakPolarHBondContact ND2-CA 3.48Å; N63-T104 PolarHBondContact ND2-OG1 3.24Å; N63-T104 PolarHBondContact OD1-N 2.87Å; N63-T107 PolarHBondContact N-OG1 3.32Å; N63-T107 VanDerWaalsContact N-OG1 3.16Å
64A84.9Confident75.3Confident36 Ų3668.2 Ų68.230%0.29835%0.353SS..Hα-helixtrans-63.1-43.7175.200000111.9D61 T66 K67 D68D61-A64 HydrophobicContact CB-CB 4.08Å; D61-A64 VanDerWaalsContact CG-CB 3.43Å; D61-A64 PolarHBondContact O-N 3.1Å; D61-A64 PolarHBondContact OD1-N 3.39Å; D61-A64 VanDerWaalsContact OD2-CB 3.29Å; D61-A64 WeakPolarHBondContact OD2-CB 2.98Å; A64-T66 VanDerWaalsContact C-N 3.34Å; A64-T66 PolarHBondContact O-N 3.46Å; A64-K67 PolarHBondContact O-N 2.93Å; A64-D68 WeakPolarHBondContact O-CB 2.95Å; A64-D68 PolarHBondContact O-N 2.75Å
65I84.7Confident76Confident21 Ų2168.3 Ų68.311%0.10836%0.358CS..Hα-helixtrans-60.2-44.3178.1-66.1164000111.2N40 E43 I44 T60 D61 L69N40-I65 HydrophobicContact CB-CG2 3.8Å; N40-I65 PolarHBondContact ND2-O 3.38Å; E43-I65 HydrophobicContact CG-CD1 4.43Å; I44-I65 HydrophobicContact CD1-CG2 4.17Å; I44-I65 HydrophobicContact CG1-CG2 4.16Å; T60-I65 HydrophobicContact CG2-CD1 4.1Å; D61-I65 WeakPolarHBondContact O-CD1 3.43Å; D61-I65 VanDerWaalsContact O-CG1 3.27Å; D61-I65 WeakPolarHBondContact O-CG1 3.12Å; D61-I65 PolarHBondContact O-N 3.46Å; D61-I65 VanDerWaalsContact O-N 3.14Å; I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 3.38Å
66T85.6Confident76.2Confident11 Ų1162.9 Ų62.97%0.06733%0.328CS..Hα-helixtrans-63.7-45.8177.7-58.70000110.9L62 N63 A64 L69 V70 L94 W99L62-T66 WeakPolarHBondContact O-CB 3.34Å; L62-T66 PolarHBondContact O-N 3.28Å; L62-T66 PolarHBondContact O-OG1 3.1Å; N63-T66 PolarHBondContact O-N 3.21Å; A64-T66 VanDerWaalsContact C-N 3.34Å; A64-T66 PolarHBondContact O-N 3.46Å; T66-L69 PolarHBondContact O-N 3.11Å; T66-V70 HydrophobicContact CG2-CG2 4.49Å; T66-V70 WeakPolarHBondContact O-CG2 3.35Å; T66-V70 PolarHBondContact O-N 3.43Å; T66-L94 HydrophobicContact CG2-CB 4.34Å; T66-L94 HydrophobicContact CG2-CD2 4.46Å; T66-W99 PolarHBondContact OG1-NE1 2.93Å; T66-W99 VanDerWaalsContact OG1-NE1 3.16Å
67K84.7Confident76.1Confident131 Ų13165.8 Ų65.857%0.5735%0.347SS*.Hα-helixtrans-62.5-47.7179.8-175-179.6173.3-174.70111.8N63 A64 L69 V70 E71N63-K67 WeakPolarHBondContact O-CB 3.34Å; N63-K67 PolarHBondContact O-N 2.83Å; A64-K67 PolarHBondContact O-N 2.93Å; K67-L69 VanDerWaalsContact C-N 3.26Å; K67-L69 PolarHBondContact O-N 3.2Å; K67-V70 PolarHBondContact O-N 3.06Å; K67-E71 WeakPolarHBondContact CE-OE1 3.42Å; K67-E71 IonicContact NZ-OE1 2.74Å; K67-E71 PolarHBondContact O-N 3.12Å
68D82.9Confident75.7Confident56 Ų5662.3 Ų62.330%0.29933%0.328SS..Hα-helixtrans-59-37.9176.3-82.26.2000111.9K36 N40 A64 A72K36-D68 IonicContact NZ-OD2 2.71Å; K36-D68 PolarHBondContact NZ-OD2 2.82Å; N40-D68 WeakPolarHBondContact ND2-CB 3.43Å; A64-D68 WeakPolarHBondContact O-CB 2.95Å; A64-D68 PolarHBondContact O-N 2.75Å; D68-A72 WeakPolarHBondContact O-CB 3.24Å; D68-A72 PolarHBondContact O-N 2.84Å
69L83.4Confident75.6Confident2 Ų258.5 Ų58.51%0.0132%0.316CS..Hα-helixtrans-68.2-46.1177.7-179.561.4000111.2L37 N40 L41 I44 I65 T66 K67 A72 L73 L94L37-L69 HydrophobicContact CD1-CD1 4.11Å; L37-L69 HydrophobicContact CG-CD1 3.77Å; N40-L69 HydrophobicContact CB-CB 4.35Å; L41-L69 HydrophobicContact CB-CD1 4.35Å; I44-L69 HydrophobicContact CD1-CD2 3.63Å; I65-L69 WeakPolarHBondContact O-CB 3.4Å; I65-L69 PolarHBondContact O-N 3.38Å; T66-L69 PolarHBondContact O-N 3.11Å; K67-L69 VanDerWaalsContact C-N 3.26Å; K67-L69 PolarHBondContact O-N 3.2Å; L69-A72 PolarHBondContact O-N 2.83Å; L69-L73 HydrophobicContact CD1-CD1 4.24Å; L69-L73 HydrophobicContact CD1-CG 4.32Å; L69-L73 HydrophobicContact CG-CD1 4.02Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 VanDerWaalsContact O-CG 3.22Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 3.2Å; L69-L94 HydrophobicContact CD2-CD1 3.55Å; L69-L94 HydrophobicContact CG-CD1 4.13Å
70V82.7Confident75.3Confident25 Ų2555 Ų5515%0.15230%0.297CS..Hα-helixtrans-63.3-45.5178.5173.40000110.8T66 K67 A72 L73 Y74 L94T66-V70 HydrophobicContact CG2-CG2 4.49Å; T66-V70 WeakPolarHBondContact O-CG2 3.35Å; T66-V70 PolarHBondContact O-N 3.43Å; K67-V70 PolarHBondContact O-N 3.06Å; V70-A72 VanDerWaalsContact C-N 3.34Å; V70-A72 PolarHBondContact O-N 2.85Å; V70-L73 PolarHBondContact O-N 3.3Å; V70-Y74 HydrophobicContact CG1-CD2 3.71Å; V70-Y74 HydrophobicContact CG1-CE2 3.75Å; V70-Y74 WeakPolarHBondContact O-CD2 3.4Å; V70-Y74 PolarHBondContact O-N 3.26Å; V70-L94 HydrophobicContact CG2-CB 4.05Å; V70-L94 HydrophobicContact CG2-CD1 4.39Å
71E80.9Confident74.8Confident101 Ų10158.6 Ų58.647%0.47232%0.315SS..Hα-helixtrans-61-41.9175.3-75.3-178.1-171.800111.9K67 L73 Y74 D75K67-E71 WeakPolarHBondContact CE-OE1 3.42Å; K67-E71 IonicContact NZ-OE1 2.74Å; K67-E71 PolarHBondContact O-N 3.12Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 2.59Å; E71-Y74 PolarHBondContact O-N 3.02Å; E71-D75 PolarHBondContact O-N 3.39Å
72A76.3Confident73.8Confident25 Ų2560.6 Ų60.621%0.20733%0.332CS..Hα-helixtrans-71.1-23.7178.500000113.6L37 D68 L69 V70 G76L37-A72 HydrophobicContact CB-CB 4.31Å; L37-A72 HydrophobicContact CD1-CB 3.62Å; L37-A72 HydrophobicContact CG-CB 4.47Å; D68-A72 WeakPolarHBondContact O-CB 3.24Å; D68-A72 PolarHBondContact O-N 2.84Å; L69-A72 PolarHBondContact O-N 2.83Å; V70-A72 VanDerWaalsContact C-N 3.34Å; V70-A72 PolarHBondContact O-N 2.85Å; A72-G76 WeakPolarHBondContact O-CA 3.33Å; A72-G76 PolarHBondContact O-N 3.33Å
73L75.5Confident72.8Confident8 Ų867.5 Ų67.54%0.04237%0.368CS..Hα-helixtrans-77.2-37.8172.7-72.8168.5000111.9L37 L69 V70 E71 I80 L90 I91L37-L73 HydrophobicContact CD1-CD2 4.01Å; L37-L73 HydrophobicContact CD1-CG 4.14Å; L69-L73 HydrophobicContact CD1-CD1 4.24Å; L69-L73 HydrophobicContact CD1-CG 4.32Å; L69-L73 HydrophobicContact CG-CD1 4.02Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 VanDerWaalsContact O-CG 3.22Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 3.2Å; V70-L73 PolarHBondContact O-N 3.3Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 2.59Å; L73-I80 HydrophobicContact CD2-CD1 3.46Å; L73-I80 VanDerWaalsContact CD2-CD1 3.46Å; L73-I80 HydrophobicContact CD2-CG1 4.2Å; L73-L90 HydrophobicContact CD1-CD2 4.24Å; L73-I91 HydrophobicContact CB-CD1 4.09Å; L73-I91 HydrophobicContact CB-CG1 4.21Å; L73-I91 HydrophobicContact CD1-CG1 3.93Å
74Y72.8Confident72.1Confident133 Ų13367.6 Ų67.652%0.52237%0.369SS..Hα-helixtrans-77.2-47.1178.5-85.8-71.3000113.6V70 E71 T79 I91V70-Y74 HydrophobicContact CG1-CD2 3.71Å; V70-Y74 HydrophobicContact CG1-CE2 3.75Å; V70-Y74 WeakPolarHBondContact O-CD2 3.4Å; V70-Y74 PolarHBondContact O-N 3.26Å; E71-Y74 PolarHBondContact O-N 3.02Å; Y74-T79 WeakPolarHBondContact O-CG2 3.49Å; Y74-I91 HydrophobicContact CE2-CD1 4.34Å; Y74-I91 HydrophobicContact CE2-CG2 3.54Å; Y74-I91 WeakPolarHBondContact OH-CG2 2.93Å
75D67.7Low71.6Confident146 Ų14670 Ų7078%0.78138%0.38SS*.Hα-helixtrans-1254-166.9-68.6-36.6000113.4E71E71-D75 PolarHBondContact O-N 3.39Å
76G61Low71Confident12 Ų1275.4 Ų75.412%0.12440%0.404CS..SBendtrans-84.4172.4-172.600000115.2A72 L78 T79A72-G76 WeakPolarHBondContact O-CA 3.33Å; A72-G76 PolarHBondContact O-N 3.33Å; G76-L78 PolarHBondContact O-N 3.16Å; G76-T79 VanDerWaalsContact O-CG2 3.3Å; G76-T79 WeakPolarHBondContact O-CG2 3.34Å; G76-T79 PolarHBondContact O-N 3.03Å
77P55.3Low70.3Confident106 Ų10675.3 Ų75.369%0.68840%0.404SS*.THydrogen-bonded Turntrans-70.413.6-178.831.6-37.8000114.2K35K35-P77 HydrophobicContact CD-CG 4.12Å; K35-P77 PolarHBondContact NZ-O 2.78Å
78L56.6Low69.9Low50 Ų5071.8 Ų71.826%0.26239%0.392SS..THydrogen-bonded Turntrans-135.427.4174.9-73170.1000109.5V32 K35 L37 F38 G76 I80V32-L78 HydrophobicContact CG1-CD1 4.47Å; V32-L78 HydrophobicContact CG1-CD2 4.31Å; K35-L78 HydrophobicContact CD-CD1 3.54Å; K35-L78 HydrophobicContact CD-CD2 4.41Å; K35-L78 HydrophobicContact CD-CG 3.73Å; L37-L78 HydrophobicContact CD2-CD1 4.09Å; F38-L78 HydrophobicContact CD2-CD1 4.27Å; F38-L78 HydrophobicContact CE2-CD1 3.71Å; G76-L78 PolarHBondContact O-N 3.16Å; L78-I80 WeakPolarHBondContact O-CG1 3.36Å; L78-I80 PolarHBondContact O-N 2.84Å
79T61.1Low69.8Low88 Ų8874.9 Ų74.954%0.5441%0.405SS..  trans-39.2108.4175.437.70000109Y74 G76Y74-T79 WeakPolarHBondContact O-CG2 3.49Å; G76-T79 VanDerWaalsContact O-CG2 3.3Å; G76-T79 WeakPolarHBondContact O-CG2 3.34Å; G76-T79 PolarHBondContact O-N 3.03Å
80I61.6Low69.7Low63 Ų6377.7 Ų77.732%0.32342%0.419SS..  trans-73.7141.9-179.6-51179.7000106L73 L78 P82 D84 A87L73-I80 HydrophobicContact CD2-CD1 3.46Å; L73-I80 VanDerWaalsContact CD2-CD1 3.46Å; L73-I80 HydrophobicContact CD2-CG1 4.2Å; L78-I80 WeakPolarHBondContact O-CG1 3.36Å; L78-I80 PolarHBondContact O-N 2.84Å; I80-P82 VanDerWaalsContact O-N 3.14Å; I80-D84 HydrophobicContact CG2-CB 3.57Å; I80-D84 WeakPolarHBondContact CG2-OD2 3.43Å; I80-A87 HydrophobicContact CB-CB 3.68Å; I80-A87 HydrophobicContact CD1-CB 3.49Å; I80-A87 VanDerWaalsContact CD1-CB 3.49Å; I80-A87 HydrophobicContact CG1-CB 4.15Å; I80-A87 HydrophobicContact CG2-CB 3.37Å
81D63.9Low69.7Low93 Ų9377.1 Ų77.150%0.49742%0.415SS..  trans-48.7125.1178.8-172.2-19.7000108.4L83 D84D81-L83 PolarHBondContact O-N 3.28Å; D81-L83 WeakPolarHBondContact OD1-CB 3.46Å; D81-L83 PolarHBondContact OD1-N 3.3Å; D81-D84 HydrophobicContact CB-CB 4.3Å; D81-D84 WeakPolarHBondContact O-CB 3.31Å; D81-D84 PolarHBondContact O-N 3.15Å
82P61.6Low69.8Low109 Ų10979 Ų7971%0.70842%0.424SS*.THydrogen-bonded Turntrans-58.4-11.8177.120.9-31.6000113.1I80 N88I80-P82 VanDerWaalsContact O-N 3.14Å; P82-N88 PolarHBondContact O-ND2 3.27Å
83L62.1Low70.3Confident146 Ų14682.5 Ų82.576%0.76444%0.439SS*.THydrogen-bonded Turntrans-89.7-7.3172.2-61.7169.6000114.5D81 V85D81-L83 PolarHBondContact O-N 3.28Å; D81-L83 WeakPolarHBondContact OD1-CB 3.46Å; D81-L83 PolarHBondContact OD1-N 3.3Å; L83-V85 PolarHBondContact O-N 3.08Å
84D69.2Low70.7Confident58 Ų5882.4 Ų82.431%0.3144%0.438SS..  trans-71.3116.6177.9-171.2-55.3000109.6I80 D81 E86 A87 N88I80-D84 HydrophobicContact CG2-CB 3.57Å; I80-D84 WeakPolarHBondContact CG2-OD2 3.43Å; D81-D84 HydrophobicContact CB-CB 4.3Å; D81-D84 WeakPolarHBondContact O-CB 3.31Å; D81-D84 PolarHBondContact O-N 3.15Å; D84-E86 WeakPolarHBondContact OD1-CB 3.35Å; D84-E86 PolarHBondContact OD1-N 3.4Å; D84-E86 VanDerWaalsContact OD1-N 3.14Å; D84-A87 HydrophobicContact CB-CB 4.11Å; D84-A87 PolarHBondContact OD1-N 3.27Å; D84-N88 WeakPolarHBondContact O-CB 3.4Å; D84-N88 PolarHBondContact O-N 3.13Å; D84-N88 PolarHBondContact O-ND2 2.86Å
85V73.4Confident71.2Confident87 Ų8777.8 Ų77.853%0.52743%0.425SS..Hα-helixtrans-68.7-43-173178.20000109.6L83 N88 E89L83-V85 PolarHBondContact O-N 3.08Å; V85-N88 PolarHBondContact O-N 2.99Å; V85-E89 HydrophobicContact CG1-CG 4.4Å; V85-E89 WeakPolarHBondContact O-CB 3.4Å; V85-E89 WeakPolarHBondContact O-CG 3.47Å; V85-E89 PolarHBondContact O-N 3.18Å
86E73.1Confident72.2Confident134 Ų13472.4 Ų72.463%0.62640%0.399SS*.Hα-helixtrans-66.1-41-175.3-65.185.1164.500111.8D84 E89 L90D84-E86 WeakPolarHBondContact OD1-CB 3.35Å; D84-E86 PolarHBondContact OD1-N 3.4Å; D84-E86 VanDerWaalsContact OD1-N 3.14Å; E86-E89 PolarHBondContact O-N 3.39Å; E86-L90 PolarHBondContact O-N 3.27Å
87A71.3Confident73.3Confident8 Ų876.4 Ų76.47%0.06642%0.423CS..Hα-helixtrans-68.3-40.8175.500000113I80 D84 E89 L90 I91I80-A87 HydrophobicContact CB-CB 3.68Å; I80-A87 HydrophobicContact CD1-CB 3.49Å; I80-A87 VanDerWaalsContact CD1-CB 3.49Å; I80-A87 HydrophobicContact CG1-CB 4.15Å; I80-A87 HydrophobicContact CG2-CB 3.37Å; D84-A87 HydrophobicContact CB-CB 4.11Å; D84-A87 PolarHBondContact OD1-N 3.27Å; A87-E89 VanDerWaalsContact C-N 3.35Å; A87-L90 PolarHBondContact O-N 3.28Å; A87-I91 VanDerWaalsContact O-CG1 3.28Å; A87-I91 WeakPolarHBondContact O-CG1 3.32Å; A87-I91 PolarHBondContact O-N 3.05Å
88N75Confident74.6Confident58 Ų5876.8 Ų76.831%0.3142%0.423SS..Hα-helixtrans-65.1-39.1175.9-79.1-55.5000111.7P82 D84 V85 I91 Q92P82-N88 PolarHBondContact O-ND2 3.27Å; D84-N88 WeakPolarHBondContact O-CB 3.4Å; D84-N88 PolarHBondContact O-N 3.13Å; D84-N88 PolarHBondContact O-ND2 2.86Å; V85-N88 PolarHBondContact O-N 2.99Å; N88-I91 PolarHBondContact O-N 3.13Å; N88-Q92 WeakPolarHBondContact O-CB 3.49Å; N88-Q92 WeakPolarHBondContact O-CG 3.12Å; N88-Q92 PolarHBondContact O-N 2.98Å
89E81.9Confident76Confident121 Ų12175.4 Ų75.457%0.56541%0.414SS*.Hα-helixtrans-61.7-44.7173.3-77.9-177.4175.900111.8V85 E86 A87 I91 Q92 L93V85-E89 HydrophobicContact CG1-CG 4.4Å; V85-E89 WeakPolarHBondContact O-CB 3.4Å; V85-E89 WeakPolarHBondContact O-CG 3.47Å; V85-E89 PolarHBondContact O-N 3.18Å; E86-E89 PolarHBondContact O-N 3.39Å; A87-E89 VanDerWaalsContact C-N 3.35Å; E89-I91 PolarHBondContact O-N 2.9Å; E89-Q92 PolarHBondContact O-N 3.14Å; E89-L93 WeakPolarHBondContact O-CB 3.41Å; E89-L93 PolarHBondContact O-N 3.04Å
90L81.3Confident77.2Confident60 Ų6077.5 Ų77.531%0.31441%0.412SS..Hα-helixtrans-60.4-45176-179.663.2000111.6L41 L73 E86 A87 L93 L94L41-L90 HydrophobicContact CD1-CD2 4.25Å; L73-L90 HydrophobicContact CD1-CD2 4.24Å; E86-L90 PolarHBondContact O-N 3.27Å; A87-L90 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 3.4Å; L90-L94 HydrophobicContact CD1-CD1 4.09Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 2.73Å
91I81.6Confident78.1Confident13 Ų1378.5 Ų78.57%0.06743%0.425CS..Hα-helixtrans-62.9-42.2177.4-69.3167.9000111.1L73 Y74 A87 N88 E89 L93 S95L73-I91 HydrophobicContact CB-CD1 4.09Å; L73-I91 HydrophobicContact CB-CG1 4.21Å; L73-I91 HydrophobicContact CD1-CG1 3.93Å; Y74-I91 HydrophobicContact CE2-CD1 4.34Å; Y74-I91 HydrophobicContact CE2-CG2 3.54Å; Y74-I91 WeakPolarHBondContact OH-CG2 2.93Å; A87-I91 VanDerWaalsContact O-CG1 3.28Å; A87-I91 WeakPolarHBondContact O-CG1 3.32Å; A87-I91 PolarHBondContact O-N 3.05Å; N88-I91 PolarHBondContact O-N 3.13Å; E89-I91 PolarHBondContact O-N 2.9Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.44Å; I91-S95 WeakPolarHBondContact O-CB 3.42Å; I91-S95 PolarHBondContact O-N 2.7Å; I91-S95 PolarHBondContact O-OG 3.01Å
92Q83.7Confident79.1Confident141 Ų14178.5 Ų78.566%0.65942%0.42SS*.Hα-helixtrans-62.2-40.8176-77.3-177.114.900111.9N88 E89 S95 S96N88-Q92 WeakPolarHBondContact O-CB 3.49Å; N88-Q92 WeakPolarHBondContact O-CG 3.12Å; N88-Q92 PolarHBondContact O-N 2.98Å; E89-Q92 PolarHBondContact O-N 3.14Å; Q92-S95 CarbonylContact O-C 3.5Å; Q92-S95 PolarHBondContact O-N 3.37Å; Q92-S96 PolarHBondContact O-N 3.1Å
93L85.6Confident80.2Confident99 Ų9973.4 Ų73.452%0.51839%0.387SS..Hα-helixtrans-66.8-48.4179.5-166.5149.4000111.4E89 L90 I91 S95 S96 W99E89-L93 WeakPolarHBondContact O-CB 3.41Å; E89-L93 PolarHBondContact O-N 3.04Å; L90-L93 PolarHBondContact O-N 3.4Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.44Å; L93-S95 PolarHBondContact O-N 3.08Å; L93-S96 VanDerWaalsContact O-CB 3.26Å; L93-S96 WeakPolarHBondContact O-CB 3.36Å; L93-S96 PolarHBondContact O-N 3.29Å; L93-S96 VanDerWaalsContact O-N 3.14Å; L93-S96 PolarHBondContact O-OG 2.81Å; L93-W99 WeakPolarHBondContact O-CB 3.27Å
94L84.6Confident81.1Confident6 Ų668.8 Ų68.83%0.03137%0.366CS..Hα-helixtrans-66.5-25176.2-66.3174.3000112.7I44 T66 L69 V70 L90 W99I44-L94 HydrophobicContact CD1-CD2 4.27Å; T66-L94 HydrophobicContact CG2-CB 4.34Å; T66-L94 HydrophobicContact CG2-CD2 4.46Å; L69-L94 HydrophobicContact CD2-CD1 3.55Å; L69-L94 HydrophobicContact CG-CD1 4.13Å; V70-L94 HydrophobicContact CG2-CB 4.05Å; V70-L94 HydrophobicContact CG2-CD1 4.39Å; L90-L94 HydrophobicContact CD1-CD1 4.09Å; L90-L94 HydrophobicContact CD1-CG 4.22Å; L90-L94 HydrophobicContact CG-CD1 4.01Å; L90-L94 WeakPolarHBondContact O-CG 3.45Å; L90-L94 PolarHBondContact O-N 2.73Å; L94-W99 HydrophobicContact CD2-CD2 4.3Å; L94-W99 HydrophobicContact CD2-CZ2 4.08Å
95S84.5Confident81.7Confident36 Ų3668.1 Ų68.125%0.25237%0.368SS..THydrogen-bonded Turntrans-93.34.5175.9-58.20000113.6I91 Q92 L93 R100I91-S95 WeakPolarHBondContact O-CB 3.42Å; I91-S95 PolarHBondContact O-N 2.7Å; I91-S95 PolarHBondContact O-OG 3.01Å; Q92-S95 CarbonylContact O-C 3.5Å; Q92-S95 PolarHBondContact O-N 3.37Å; L93-S95 PolarHBondContact O-N 3.08Å; S95-R100 PolarHBondContact O-NH1 3.26Å; S95-R100 PolarHBondContact O-NH2 2.83Å; S95-R100 VanDerWaalsContact O-NH2 3.08Å
96S87.7Confident82.1Confident32 Ų3265.9 Ų65.922%0.22435%0.351CS..SBendtrans-70.4148.6-17971.20000111.4Q92 L93 V98 W99 R100Q92-S96 PolarHBondContact O-N 3.1Å; L93-S96 VanDerWaalsContact O-CB 3.26Å; L93-S96 WeakPolarHBondContact O-CB 3.36Å; L93-S96 PolarHBondContact O-N 3.29Å; L93-S96 VanDerWaalsContact O-N 3.14Å; L93-S96 PolarHBondContact O-OG 2.81Å; S96-V98 PolarHBondContact O-N 2.91Å; S96-W99 PolarHBondContact O-N 3.37Å; S96-W99 VanDerWaalsContact OG-CB 3.29Å; S96-W99 WeakPolarHBondContact OG-CB 3.05Å; S96-W99 PolarHBondContact OG-N 2.76Å; S96-W99 VanDerWaalsContact OG-N 3.07Å; S96-R100 PolarHBondContact O-N 3.09Å
97P84.4Confident82.5Confident96 Ų9660.2 Ų60.262%0.62333%0.325SS*.Hα-helixtrans-56.4-36.6173.8-24.934000112.4R100 S101P97-R100 PolarHBondContact O-N 3.36Å; P97-S101 PolarHBondContact O-N 3.16Å; P97-S101 PolarHBondContact O-OG 3.11Å; P97-S101 VanDerWaalsContact O-OG 3.13Å
98V82.7Confident82.9Confident114 Ų11462.8 Ų62.869%0.69134%0.335SS*.Hα-helixtrans-64.9-47.2179.6-1770000110.9S96 S101 F102S96-V98 PolarHBondContact O-N 2.91Å; V98-S101 PolarHBondContact O-N 2.82Å; V98-F102 WeakPolarHBondContact O-CB 3.34Å; V98-F102 PolarHBondContact O-N 3.36Å
99W86.4Confident82.9Confident21 Ų2165 Ų658%0.0835%0.346CS..Hα-helixtrans-62.5-44.7176.6-176.8-97000111.5I44 I48 T66 L93 L94 S96 S101 F102 S103I44-W99 HydrophobicContact CD1-CZ2 4.44Å; I44-W99 HydrophobicContact CG1-CZ2 4.41Å; I44-W99 HydrophobicContact CG2-CH2 3.73Å; I44-W99 HydrophobicContact CG2-CZ2 3.87Å; I48-W99 HydrophobicContact CD1-CH2 3.67Å; I48-W99 HydrophobicContact CD1-CZ3 3.61Å; I48-W99 HydrophobicContact CG1-CH2 3.99Å; I48-W99 HydrophobicContact CG1-CZ3 3.95Å; T66-W99 PolarHBondContact OG1-NE1 2.93Å; T66-W99 VanDerWaalsContact OG1-NE1 3.16Å; L93-W99 WeakPolarHBondContact O-CB 3.27Å; L94-W99 HydrophobicContact CD2-CD2 4.3Å; L94-W99 HydrophobicContact CD2-CZ2 4.08Å; S96-W99 PolarHBondContact O-N 3.37Å; S96-W99 VanDerWaalsContact OG-CB 3.29Å; S96-W99 WeakPolarHBondContact OG-CB 3.05Å; S96-W99 PolarHBondContact OG-N 2.76Å; S96-W99 VanDerWaalsContact OG-N 3.07Å; W99-S101 VanDerWaalsContact C-N 3.34Å; W99-S101 PolarHBondContact O-N 3.08Å; W99-F102 HydrophobicContact CE3-CD1 4.18Å; W99-F102 HydrophobicContact CH2-CD1 4.28Å; W99-F102 HydrophobicContact CH2-CE1 4.21Å; W99-F102 AromaticContact CZ3-CD1 3.96Å; W99-F102 HydrophobicContact CZ3-CD1 3.96Å; W99-F102 HydrophobicContact CZ3-CE1 4.13Å; W99-F102 PolarHBondContact O-N 3.06Å; W99-F102 VanDerWaalsContact O-N 3.16Å; W99-S103 WeakPolarHBondContact O-CB 3.48Å; W99-S103 PolarHBondContact O-N 3.3Å; W99-S103 PolarHBondContact O-OG 2.87Å
100R84.8Confident82.7Confident132 Ų13259.6 Ų59.650%0.49832%0.322SS..Hα-helixtrans-59.7-42.1177-70.4-165.4-168.891.15112.9S95 S96 P97 F102 S103 T104S95-R100 PolarHBondContact O-NH1 3.26Å; S95-R100 PolarHBondContact O-NH2 2.83Å; S95-R100 VanDerWaalsContact O-NH2 3.08Å; S96-R100 PolarHBondContact O-N 3.09Å; P97-R100 PolarHBondContact O-N 3.36Å; R100-F102 VanDerWaalsContact C-N 3.35Å; R100-S103 WeakPolarHBondContact CA-OG 3.31Å; R100-S103 PolarHBondContact O-OG 3.28Å; R100-S103 VanDerWaalsContact O-OG 3.1Å; R100-T104 VanDerWaalsContact O-CB 3.27Å; R100-T104 WeakPolarHBondContact O-CB 3.31Å; R100-T104 PolarHBondContact O-N 3.18Å; R100-T104 PolarHBondContact O-OG1 3.08Å
101S82.2Confident82.4Confident84 Ų8458.6 Ų58.659%0.58732%0.318SS*.Hα-helixtrans-64-42.1175.8-65.60000111.5P97 V98 W99 A105P97-S101 PolarHBondContact O-N 3.16Å; P97-S101 PolarHBondContact O-OG 3.11Å; P97-S101 VanDerWaalsContact O-OG 3.13Å; V98-S101 PolarHBondContact O-N 2.82Å; W99-S101 VanDerWaalsContact C-N 3.34Å; W99-S101 PolarHBondContact O-N 3.08Å; S101-A105 WeakPolarHBondContact O-CB 3.44Å; S101-A105 PolarHBondContact O-N 3.17Å
102F84.9Confident81.8Confident93 Ų9362.3 Ų62.341%0.40835%0.345SS..Hα-helixtrans-65-48.6176.1173.7-100.4000112.4L62 V98 W99 R100 T104 A105 Y106L62-F102 HydrophobicContact CD2-CD1 4.35Å; L62-F102 HydrophobicContact CD2-CE1 3.91Å; V98-F102 WeakPolarHBondContact O-CB 3.34Å; V98-F102 PolarHBondContact O-N 3.36Å; W99-F102 HydrophobicContact CE3-CD1 4.18Å; W99-F102 HydrophobicContact CH2-CD1 4.28Å; W99-F102 HydrophobicContact CH2-CE1 4.21Å; W99-F102 AromaticContact CZ3-CD1 3.96Å; W99-F102 HydrophobicContact CZ3-CD1 3.96Å; W99-F102 HydrophobicContact CZ3-CE1 4.13Å; W99-F102 PolarHBondContact O-N 3.06Å; W99-F102 VanDerWaalsContact O-N 3.16Å; R100-F102 VanDerWaalsContact C-N 3.35Å; F102-T104 VanDerWaalsContact C-N 3.29Å; F102-T104 PolarHBondContact O-N 3.3Å; F102-A105 PolarHBondContact O-N 3.22Å; F102-Y106 HydrophobicContact CZ-CD2 4.35Å; F102-Y106 VanDerWaalsContact O-CB 3.31Å; F102-Y106 WeakPolarHBondContact O-CB 3.41Å; F102-Y106 PolarHBondContact O-N 3.5Å
103S84.3Confident81Confident2 Ų262.4 Ų62.41%0.01435%0.345CS..Hα-helixtrans-63.8-36.6-178.766.30000111.9N63 W99 R100 T107N63-S103 VanDerWaalsContact OD1-C 3.27Å; N63-S103 VanDerWaalsContact OD1-CB 3.22Å; N63-S103 WeakPolarHBondContact OD1-CB 3.17Å; N63-S103 PolarHBondContact OD1-OG 3.03Å; W99-S103 WeakPolarHBondContact O-CB 3.48Å; W99-S103 PolarHBondContact O-N 3.3Å; W99-S103 PolarHBondContact O-OG 2.87Å; R100-S103 WeakPolarHBondContact CA-OG 3.31Å; R100-S103 PolarHBondContact O-OG 3.28Å; R100-S103 VanDerWaalsContact O-OG 3.1Å; S103-T107 WeakPolarHBondContact O-CB 3.41Å; S103-T107 PolarHBondContact O-N 2.74Å; S103-T107 PolarHBondContact O-OG1 3.43Å
104T81.4Confident79.8Confident50 Ų5064.2 Ų64.231%0.30735%0.349SS..Hα-helixtrans-67.4-52.3175.1-550000111.1N63 R100 F102 Y106 T107 E108N63-T104 WeakPolarHBondContact ND2-CA 3.48Å; N63-T104 PolarHBondContact ND2-OG1 3.24Å; N63-T104 PolarHBondContact OD1-N 2.87Å; R100-T104 VanDerWaalsContact O-CB 3.27Å; R100-T104 WeakPolarHBondContact O-CB 3.31Å; R100-T104 PolarHBondContact O-N 3.18Å; R100-T104 PolarHBondContact O-OG1 3.08Å; F102-T104 VanDerWaalsContact C-N 3.29Å; F102-T104 PolarHBondContact O-N 3.3Å; T104-Y106 VanDerWaalsContact C-N 3.29Å; T104-Y106 PolarHBondContact O-N 2.84Å; T104-T107 PolarHBondContact O-N 3.05Å; T104-T107 VanDerWaalsContact O-N 3.14Å; T104-E108 HydrophobicContact CG2-CG 4.48Å; T104-E108 WeakPolarHBondContact CG2-OE1 3.42Å; T104-E108 WeakPolarHBondContact O-CG 3.24Å; T104-E108 PolarHBondContact O-N 2.72Å
105A80.3Confident78.1Confident44 Ų4470.7 Ų70.736%0.36438%0.384SS..Hα-helixtrans-60.1-39.7178.300000112.2S101 F102 I109S101-A105 WeakPolarHBondContact O-CB 3.44Å; S101-A105 PolarHBondContact O-N 3.17Å; F102-A105 PolarHBondContact O-N 3.22Å; A105-I109 WeakPolarHBondContact O-CD1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.11Å; A105-I109 PolarHBondContact O-N 3.21Å; A105-I109 VanDerWaalsContact O-N 3.11Å
106Y81.5Confident75.7Confident40 Ų4076.7 Ų76.716%0.15741%0.41CS..Hα-helixtrans-63.6-46.2176.1-171.3-86.9000111.3L47 P56 T60 L62 F102 T104 I109 T110L47-Y106 HydrophobicContact CD2-CE1 4.35Å; L47-Y106 HydrophobicContact CD2-CE2 4.21Å; L47-Y106 WeakPolarHBondContact CD2-OH 3.45Å; P56-Y106 HydrophobicContact CB-CE2 4.37Å; P56-Y106 HydrophobicContact CG-CE2 4.36Å; T60-Y106 HydrophobicContact CG2-CE1 4.36Å; L62-Y106 HydrophobicContact CB-CD1 3.81Å; L62-Y106 HydrophobicContact CB-CE1 4.47Å; L62-Y106 HydrophobicContact CD2-CD1 3.76Å; L62-Y106 HydrophobicContact CD2-CE1 4.44Å; L62-Y106 HydrophobicContact CD2-CG 3.88Å; L62-Y106 HydrophobicContact CG-CD1 4.42Å; F102-Y106 HydrophobicContact CZ-CD2 4.35Å; F102-Y106 VanDerWaalsContact O-CB 3.31Å; F102-Y106 WeakPolarHBondContact O-CB 3.41Å; F102-Y106 PolarHBondContact O-N 3.5Å; T104-Y106 VanDerWaalsContact C-N 3.29Å; T104-Y106 PolarHBondContact O-N 2.84Å; Y106-I109 PolarHBondContact O-N 3.45Å; Y106-T110 HydrophobicContact CD1-CG2 3.8Å; Y106-T110 HydrophobicContact CE1-CG2 3.43Å; Y106-T110 VanDerWaalsContact CE1-CG2 3.43Å; Y106-T110 WeakPolarHBondContact O-CG2 3.27Å; Y106-T110 PolarHBondContact O-N 2.98Å; Y106-T110 PolarHBondContact O-OG1 2.93Å
107T81.8Confident73.1Confident14 Ų1480.6 Ų80.69%0.08644%0.435CS..Hα-helixtrans-62.9-41.7178.4-570000111.9D61 L62 N63 S103 T104 I109 T110 T111D61-T107 HydrophobicContact CB-CG2 4.33Å; D61-T107 WeakPolarHBondContact OD1-CG2 3.36Å; L62-T107 PolarHBondContact N-OG1 3.15Å; L62-T107 VanDerWaalsContact N-OG1 3.15Å; N63-T107 PolarHBondContact N-OG1 3.32Å; N63-T107 VanDerWaalsContact N-OG1 3.16Å; S103-T107 WeakPolarHBondContact O-CB 3.41Å; S103-T107 PolarHBondContact O-N 2.74Å; S103-T107 PolarHBondContact O-OG1 3.43Å; T104-T107 PolarHBondContact O-N 3.05Å; T104-T107 VanDerWaalsContact O-N 3.14Å; T107-I109 VanDerWaalsContact C-N 3.31Å; T107-I109 PolarHBondContact O-N 3.39Å; T107-T110 WeakPolarHBondContact CA-OG1 3.47Å; T107-T110 PolarHBondContact O-N 2.84Å; T107-T110 PolarHBondContact O-OG1 3.44Å; T107-T110 VanDerWaalsContact O-OG1 3.1Å; T107-T111 HydrophobicContact CG2-CG2 3.99Å; T107-T111 WeakPolarHBondContact O-CB 3.3Å; T107-T111 WeakPolarHBondContact O-CG2 3.49Å; T107-T111 PolarHBondContact O-N 3.24Å; T107-T111 PolarHBondContact O-OG1 3.39Å
108E79.7Confident70.5Confident62 Ų6285.1 Ų85.129%0.2945%0.447SS..Hα-helixtrans-60.1-41.5175.3-71.9172.2-174.600111.5T104 S112 F114T104-E108 HydrophobicContact CG2-CG 4.48Å; T104-E108 WeakPolarHBondContact CG2-OE1 3.42Å; T104-E108 WeakPolarHBondContact O-CG 3.24Å; T104-E108 PolarHBondContact O-N 2.72Å; E108-S112 WeakPolarHBondContact O-CA 3.13Å; E108-S112 PolarHBondContact O-N 3.12Å; E108-S112 VanDerWaalsContact O-N 3.11Å; E108-F114 HydrophobicContact CB-CD1 4.38Å
109I75.3Confident67.9Low104 Ų10487.3 Ų87.353%0.53345%0.454SS..Hα-helixtrans-67.9-43.3178.3-67.8164.6000111.5A105 Y106 T107A105-I109 WeakPolarHBondContact O-CD1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.11Å; A105-I109 PolarHBondContact O-N 3.21Å; A105-I109 VanDerWaalsContact O-N 3.11Å; Y106-I109 PolarHBondContact O-N 3.45Å; T107-I109 VanDerWaalsContact C-N 3.31Å; T107-I109 PolarHBondContact O-N 3.39Å
110T77.3Confident65.3Low9 Ų991.3 Ų91.36%0.05548%0.483CS..Hα-helixtrans-78-31.5-175.754.90000113.9P56 D59 T60 Y106 T107P56-T110 HydrophobicContact CB-CG2 3.42Å; P56-T110 VanDerWaalsContact CB-CG2 3.42Å; P56-T110 HydrophobicContact CG-CG2 4.37Å; D59-T110 PolarHBondContact N-O 2.8Å; T60-T110 PolarHBondContact O-OG1 3.25Å; Y106-T110 HydrophobicContact CD1-CG2 3.8Å; Y106-T110 HydrophobicContact CE1-CG2 3.43Å; Y106-T110 VanDerWaalsContact CE1-CG2 3.43Å; Y106-T110 WeakPolarHBondContact O-CG2 3.27Å; Y106-T110 PolarHBondContact O-N 2.98Å; Y106-T110 PolarHBondContact O-OG1 2.93Å; T107-T110 WeakPolarHBondContact CA-OG1 3.47Å; T107-T110 PolarHBondContact O-N 2.84Å; T107-T110 PolarHBondContact O-OG1 3.44Å; T107-T110 VanDerWaalsContact O-OG1 3.1Å
111T75.9Confident62.6Low38 Ų3894.6 Ų94.623%0.23350%0.504CS..Hα-helixtrans-94.2-7.5-17962.90000112.8T107 H113T107-T111 HydrophobicContact CG2-CG2 3.99Å; T107-T111 WeakPolarHBondContact O-CB 3.3Å; T107-T111 WeakPolarHBondContact O-CG2 3.49Å; T107-T111 PolarHBondContact O-N 3.24Å; T107-T111 PolarHBondContact O-OG1 3.39Å; T111-H113 PolarHBondContact O-N 2.97Å; T111-H113 PolarHBondContact OG1-N 3.27Å
112S69.4Low60.3Low91 Ų9197.3 Ų97.364%0.63651%0.511SS*.  trans54.715.9-171.8-58.10000114.1E108 F114E108-S112 WeakPolarHBondContact O-CA 3.13Å; E108-S112 PolarHBondContact O-N 3.12Å; E108-S112 VanDerWaalsContact O-N 3.11Å; S112-F114 PolarHBondContact O-N 3.46Å
113H65.6Low57.7Low144 Ų14496.9 Ų96.967%0.66752%0.524SS*.  trans-92.186.5173.8-90.5-63.5000109.2T111 D115T111-H113 PolarHBondContact O-N 2.97Å; T111-H113 PolarHBondContact OG1-N 3.27Å; H113-D115 PolarHBondContact O-N 2.93Å
114F61.5Low55.1Low137 Ų137107.5 Ų107.560%0.60157%0.565SS**  trans-81.797.7169.7-59.8-81.7000108.8E108 S112 M116E108-F114 HydrophobicContact CB-CD1 4.38Å; S112-F114 PolarHBondContact O-N 3.46Å; F114-M116 PolarHBondContact O-N 3.35Å
115D48.3Very low52.7Low142 Ų142113.6 Ų113.676%0.75959%0.593SS**  trans-70.987.7165.2-95.3-18000108.1H113 P117H113-D115 PolarHBondContact O-N 2.93Å; D115-P117 VanDerWaalsContact O-CD 3.28Å; D115-P117 WeakPolarHBondContact O-CD 3.21Å
116M33.9Very low50.2Low162 Ų162117.4 Ų117.480%0.79861%0.611SS**  trans-69.2117173.9-173.2147.85600107.9F114 E118F114-M116 PolarHBondContact O-N 3.35Å; M116-E118 PolarHBondContact O-N 3.28Å
117P34.4Very low47.9Very low114 Ų114121.6 Ų121.674%0.7465%0.646SS**  trans-61.4115.4177.322.5-30000108.6D115 L119D115-P117 VanDerWaalsContact O-CD 3.28Å; D115-P117 WeakPolarHBondContact O-CD 3.21Å; P117-L119 PolarHBondContact O-N 2.76Å
118E30.1Very low45.4Very low191 Ų191124 Ų12489%0.89367%0.674SS**  trans-56.3113.8171.5-74.7-175.3164.200108.3M116M116-E118 PolarHBondContact O-N 3.28Å
119L27.6Very low43.1Very low159 Ų159129.8 Ų129.883%0.83271%0.706SS**  trans-61.4130.3170.9-77.4162.8000107.7P117 E121P117-L119 PolarHBondContact O-N 2.76Å; L119-E121 PolarHBondContact O-N 3.49Å
120P31.1Very low41Very low105 Ų105128.7 Ų128.768%0.68272%0.721SS**  trans-59.1124.9-178.320.6-29.5000110.3I122P120-I122 PolarHBondContact O-N 3.38Å
121E29Very low38.7Very low201 Ų201131.7 Ų131.794%0.93975%0.753SS**  trans-60.992.8171.2-76-171.6154.300109.6L119L119-E121 PolarHBondContact O-N 3.49Å
122I32.9Very low36.7Very low142 Ų142138 Ų13873%0.72878%0.784SS**  trans-96.6106.3166.9-59.5178.1000107.4P120 Y124P120-I122 PolarHBondContact O-N 3.38Å; I122-Y124 PolarHBondContact O-N 3.07Å
123A29.7Very low34.8Very low83 Ų83141 Ų14169%0.68679%0.792SS**  trans-48.5121.6-178.300000114M125A123-M125 PolarHBondContact O-N 2.99Å
124Y29.7Very low33.2Very low225 Ų225141 Ų14188%0.88280%0.802SS**  trans-78.386.4156.7-79.4-87.1000108.9I122 T126I122-Y124 PolarHBondContact O-N 3.07Å; Y124-T126 PolarHBondContact O-N 3.16Å
125M31.2Very low31.7Very low179 Ų179142 Ų14288%0.88282%0.815SS**  trans-81.4109.5160.5-78.4-86.9-16600108.1A123A123-M125 PolarHBondContact O-N 2.99Å
126T27.8Very low30.7Very low123 Ų123143.4 Ų143.476%0.75582%0.821SS**  trans-80138.3173.254.40000110.3Y124Y124-T126 PolarHBondContact O-N 3.16Å
127S33.6Very low30.5Very low128 Ų128138.9 Ų138.990%0.89582%0.815SS**  trans145.5127.5160.153.20000106.2
128G29.9Very low30.2Very low65 Ų65138.9 Ų138.967%0.6782%0.818SS**  cis164.2158.91000000104.5
129L32Very low30.1Very low184 Ų184138 Ų13896%0.96382%0.819SS**  trans85.596.7170.2-52161.8000116.6
130G30.2Very low30.2Very low81 Ų81138.7 Ų138.784%0.83582%0.82SS**  96.897.5107.100000117.8
131G29.6Very low30.3Very low71 Ų71138.4 Ų138.473%0.73283%0.827SS**  97.5127123.400000118.9
132I34.3Very low30.4Very low172 Ų172134.3 Ų134.388%0.88282%0.82SS**  trans85.8114.3144.2-9.5-178.4000119.2
133N28Very low30.4Very low153 Ų153137.2 Ų137.282%0.81883%0.827SS**  trans-52.2142.3176.6-58-40000115.8
134T33.4Very low30.7Very low143 Ų143137.8 Ų137.888%0.87783%0.832SS**  -157.8133.5129.445.10000110.7
135N28.5Very low31Very low160 Ų160131.8 Ų131.886%0.85682%0.823SS**  trans-56.3148.1167.1-73.4-31.6000111.8
136L27.6Very low31.1Very low171 Ų171130.1 Ų130.190%0.89582%0.817SS**  153.3125.2121.3-159.876.6000110.6
137G29.1Very low31.4Very low66 Ų66131.1 Ų131.168%0.6882%0.817SS**  trans47.8123.4137.500000120.8
138S28.6Very low31.5Very low114 Ų114133.3 Ų133.380%0.79781%0.813SS**  trans68.8115.3149.2-179.90000116.3
139L28.3Very low31.5Very low174 Ų174136.9 Ų136.991%0.91182%0.822SS**  trans-161.2117.4132.9-103.6149.3000110.5
140M30.8Very low31.6Very low172 Ų172132.8 Ų132.885%0.84782%0.815SS**  trans-63.2163.4152.8-77.1-127.7-156.600111
141A31.4Very low31.6Very low100 Ų100136 Ų13683%0.82681%0.813SS**  trans97.2120.2144.100000117.6
142S31.2Very low31.8Very low114 Ų114143.8 Ų143.880%0.79782%0.82SS**  -156.8129.9128.357.60000111.4
143K34.3Very low31.7Very low204 Ų204140 Ų14089%0.88781%0.809SS**  trans172.299.8135.8-94.9176.1-179.6-177.30107.1
144A34.4Very low31.9Very low94 Ų94142.9 Ų142.978%0.77782%0.815SS**  106.3138.198.800000107.4
145S37Very low31.9Very low99 Ų99139.7 Ų139.769%0.69281%0.81SS**  cis-173.8148.914.736.70000109
146N33.3Very low32Very low144 Ų144140.3 Ų140.377%0.7781%0.813SS**  trans53.2116.9144-60-18.8000121.4
147L33.6Very low32.3Very low144 Ų144135.3 Ų135.375%0.75480%0.804SS**  161.3121.693.1-103.7130.1000112.5
148Q35.3Very low32.5Very low174 Ų174138.3 Ų138.381%0.81381%0.808SS**  trans56.198.2141.2-69.8177.9-1.500122.9
149V30Very low32.9Very low141 Ų141139.1 Ų139.186%0.85580%0.802SS**  -0.9128.5125.3-175.70000119
150A34.2Very low33.2Very low98 Ų98139.6 Ų139.681%0.8180%0.797SS**  -172.1128.8117.800000112.6
151D30.4Very low33.3Very low148 Ų148138.2 Ų138.279%0.79179%0.793SS**  trans-65.3152.4178.4-76.7-50.5000115.3
152R33.4Very low33.6Very low234 Ų234139.2 Ų139.288%0.88378%0.784SS**  170105.5112.6-89.4173.2-173.9-1672.2113.5
153S32.1Very low33.9Very low94 Ų94143.3 Ų143.366%0.65778%0.782SS**  33.9141.8128.970.50000124.6
154F33.2Very low34Very low212 Ų212141.3 Ų141.393%0.9378%0.781SS**  trans97.6123.7148.7-80.7-80.8000120.2
155G34.2Very low33.9Very low76 Ų76140.1 Ų140.178%0.78478%0.778SS**  trans137.7107.5140.800000117.9
156D30.3Very low33.8Very low173 Ų173143.4 Ų143.493%0.92579%0.786SS**  trans-29.2159.9163.6-87.8-43.4000121.2
157G34Very low33.9Very low67 Ų67141.8 Ų141.869%0.69178%0.784SS**  trans139.574.3155.400000115.7
158V32.1Very low33.8Very low128 Ų128142.3 Ų142.378%0.77679%0.787SS**  45.4130101.5-148.20000117.9
159I36.4Very low33.7Very low131 Ų131141.9 Ų141.967%0.67279%0.786SS**  trans116.5123.9139.3-57.7-166.8000119.7
160K35.9Very low33.8Very low185 Ų185141.6 Ų141.680%0.80478%0.779SS**  trans74.3116.7152.3-78161.2-164.6-179.90118.8
161D32.5Very low33.5Very low143 Ų143143.2 Ų143.277%0.76578%0.782SS**  cis75.6125.944.4-15322.3000114.5
162D38.2Very low33.5Very low120 Ų120142.1 Ų142.164%0.64278%0.777SS**  trans136.6137.2163.4-81.2-18.5000111.7
163R37.1Very low33.6Very low200 Ų200136.9 Ų136.976%0.75578%0.776SS**  cis179.2165.3-14.7-115.6178.9-141.4-160.90.8106.3
164N36.8Very low33.6Very low162 Ų162142.8 Ų142.887%0.86678%0.784SS**  trans91.2118.1166.1-50.2-25.4000115
165G31.9Very low33.4Very low69 Ų69137.3 Ų137.371%0.71177%0.772SS**  cis120.311226.900000106.6
166I35.6Very low33.3Very low168 Ų168141.6 Ų141.686%0.86278%0.775SS**  174.5138.998.4-74.7152.3000108
167P34.6Very low33.2Very low111 Ų111140.2 Ų140.272%0.72177%0.765SS**  trans-125.6176.8160.238-24.1000114.2
168N31.1Very low33.1Very low154 Ų154147.7 Ų147.782%0.82477%0.774SS**  trans95.2136.2-179.6-64.3-11.2000113.8
169E33.5Very low33Very low166 Ų166145 Ų14578%0.77677%0.772SS**  cis-156.4151.143.2-81.6-162.5163.100114.9
170L31.6Very low32.7Very low135 Ų135144.2 Ų144.271%0.70779%0.785SS**  trans23.2131.6141.4-65.2116.9000123.4
171C29.1Very low32.5Very low132 Ų132139.1 Ų139.189%0.89279%0.785SS**  -146.5118.5124.6-158.60000110.5
172N30.7Very low32.6Very low125 Ų125137.8 Ų137.867%0.66879%0.787SS**  trans-105.7127.4179.9-120.4-14.5000107
173S34.6Very low32.2Very low124 Ų124140.5 Ų140.587%0.86780%0.796SS**  trans-120111.1157.8-76.60000108.4
174R32.3Very low32Very low217 Ų217141.1 Ų141.182%0.81980%0.804SS**  trans-88.3145-173.4-107.2179.3170.7172.4-3.8111.8
175S28.3Very low31.5Very low97 Ų97138.7 Ų138.768%0.67879%0.794SS**  trans64.4140.5131.5-55.90000118.4
176I33.8Very low31.4Very low166 Ų166146.7 Ų146.785%0.85181%0.805SS**  -160.6140.868.7-78.3160.5000110.8
177M26.4Very low31Very low145 Ų145144.3 Ų144.371%0.71480%0.798SS**  trans-88.8159170.4-73.1-127.8-72.500112.5
178Y32.4Very low30.7Very low224 Ų224145.4 Ų145.488%0.87880%0.798SS**  152.1141.5122-88-74.1000115
179G31.1Very low30.9Very low71 Ų71146.6 Ų146.673%0.73280%0.803SS**  trans12192.915600000114.6
180A29.9Very low30.8Very low115 Ų115148.7 Ų148.795%0.9580%0.804SS**  80.8118.669.700000115.5
181G31.4Very low30.8Very low78 Ų78150.3 Ų150.380%0.80481%0.805SS**  trans153.1115.8156.700000119.2
182S34.5Very low31Very low115 Ų115152.2 Ų152.280%0.80481%0.807SS**  trans78.496.8153.9-161.10000119.8
183E29.5Very low30.8Very low177 Ų177154.8 Ų154.883%0.82782%0.815SS**  63.3115.280.8-80.7-166.716600117.7
184K33.6Very low30.7Very low213 Ų213153.5 Ų153.593%0.92681%0.812SS**  -168132.2120.1-100.6175.1-173-178.20112.7
185V25.4Very low30.7Very low110 Ų110149.7 Ų149.767%0.66781%0.813SS**  trans-99.5151.7-174164.70000110.1
186Y29.1Very low30.7Very low238 Ų238152.6 Ų152.693%0.93382%0.82SS**  trans-165.2122.3133-100.8-72.2000111.3
187T28.8Very low30.6Very low117 Ų117151.3 Ų151.372%0.71882%0.82SS**  trans-106.9140.1176.942.50000111.3
188D28.3Very low30.9Very low135 Ų135148.6 Ų148.672%0.72283%0.829SS**  62.1126.6126.7-148.820.1000121
189L35.3Very low30.7Very low179 Ų179142.1 Ų142.194%0.93783%0.831SS**  trans-150.1136.9157.9-94.1168.5000111.5
190R30.3Very low30.7Very low209 Ų209142.5 Ų142.579%0.78983%0.834SS**  trans-95.9159.9-158.3-71.2171.2168.8167-3.7115.6
191K31.8Very low30.7Very low169 Ų169145.7 Ų145.774%0.73584%0.835SS**  trans44.2137.3134.8-71-173.8172.4-165.80121.6
192N33.2Very low30.8Very low173 Ų173145.2 Ų145.293%0.92583%0.83SS**  -155.6130.7128.1-91.9-22.7000111.8
193E27.3Very low30.6Very low178 Ų178146 Ų14683%0.83283%0.833SS**  trans-98.1148.3170.8-72.3171.8139.800110.2
194A33Very low30.6Very low98 Ų98141.9 Ų141.981%0.8183%0.829SS**  trans-165.4103.5151.700000113.9
195T31.8Very low30.4Very low137 Ų137139.9 Ų139.984%0.8483%0.828SS**  35.1123.8129.6-33.10000125
196L26.9Very low31Very low157 Ų157140 Ų14082%0.82283%0.831SS**  trans-13150152-67.6150.9000122.5
197T32.4Very low31.3Very low140 Ų140133.3 Ų133.386%0.85982%0.816SS**  175135.9107.144.60000115
198G32.3Very low31.7Very low88 Ų88132.4 Ų132.491%0.90781%0.811SS**  trans72.6133152.200000118.1
199G27.9Very low32.3Very low88 Ų88133.8 Ų133.891%0.90782%0.818SS**  cis121952000000109.8
200G31.4Very low33.1Very low78 Ų78126.7 Ų126.780%0.80479%0.788SS**  trans167122.2172.800000114.5
201D31.3Very low34.4Very low182 Ų182121 Ų12197%0.97379%0.786SS**  trans-65.4133.7-168.2-73.5-51.6000116.7
202G32.2Very low36.4Very low68 Ų68116.4 Ų116.470%0.70177%0.772SS**  trans-169.514416700000110.8
203P30.4Very low38.5Very low131 Ų131111.9 Ų111.985%0.85174%0.744SS**  trans-82149.5-163.333-34.1000114.3
204A30.2Very low41.2Very low92 Ų92108.9 Ų108.976%0.7673%0.732SS**  trans41.7118.1164.300000119.4
205L28.8Very low43.7Very low171 Ų171104.5 Ų104.590%0.89569%0.694SS**  trans149.9161.1150.6-84.5165.6000110.1
206P39.4Very low46.3Very low111 Ų11199.8 Ų99.872%0.72167%0.673SS**  cis-134.1-169.3-14.339.1-17.1000111.9
207P34.6Very low49.1Very low98 Ų9892.3 Ų92.364%0.63663%0.634SS**  trans-84162.5-160.337.2-33.6000113.5D209P207-D209 PolarHBondContact O-N 2.98Å; P207-D209 VanDerWaalsContact O-N 3.15Å
208V36.6Very low51.6Low98 Ų9890.8 Ų90.859%0.59462%0.617SS**  trans-55.3118.9166.5-178.90000108.7G210 Y239V208-G210 PolarHBondContact O-N 3.03Å; V208-Y239 HydrophobicContact CG2-CD2 4.36Å; V208-Y239 HydrophobicContact CG2-CE1 4.39Å; V208-Y239 HydrophobicContact CG2-CE2 3.32Å; V208-Y239 WeakPolarHBondContact CG2-OH 3.35Å
209D40.7Very low54Low164 Ų16487 Ų8788%0.87758%0.575SS**  trans-61.589.5-178.5-73.9-45000112.1P207P207-D209 PolarHBondContact O-N 2.98Å; P207-D209 VanDerWaalsContact O-N 3.15Å
210G52.1Low56.6Low31 Ų3187.9 Ų87.932%0.3256%0.559SS.*  trans-123131.6150.300000107.3V208 V212V208-G210 PolarHBondContact O-N 3.03Å; G210-V212 PolarHBondContact O-N 2.94Å
211A58.7Low58.7Low89 Ų8991.6 Ų91.674%0.73656%0.555SS**  trans-57.2105.4-179.500000110.1P299A211-P299 WeakPolarHBondContact O-CD 3.16Å
212V73.2Confident60.8Low73 Ų7386 Ų8644%0.44254%0.541SS..  trans-75.2127.5179.9179.10000108.9G210 K296 I297G210-V212 PolarHBondContact O-N 2.94Å; V212-K296 HydrophobicContact CG1-CD 3.95Å; V212-K296 HydrophobicContact CG1-CG 3.19Å; V212-I297 CarbonylContact C-O 3.54Å; V212-I297 WeakPolarHBondContact CA-O 3.47Å
213K78.4Confident63.1Low78 Ų7886.9 Ų86.934%0.33953%0.527SS..EExtended strand (participates in β ladder)trans-106.8127.3176.4-173.7-175.8177.9-167.20109.4I215 L261 I297 P299K213-I215 HydrophobicContact CD-CD1 4.28Å; K213-I215 HydrophobicContact CD-CG1 4.26Å; K213-I215 HydrophobicContact CG-CG1 4.13Å; K213-L261 PolarHBondContact NZ-O 3.42Å; K213-L261 VanDerWaalsContact NZ-O 3.14Å; K213-I297 HydrophobicContact CB-CD1 4.41Å; K213-I297 HydrophobicContact CB-CG1 3.95Å; K213-I297 HydrophobicContact CD-CD1 4.42Å; K213-I297 PolarHBondContact N-O 2.96Å; K213-I297 WeakPolarHBondContact O-CG1 3.4Å; K213-I297 PolarHBondContact O-N 2.83Å; K213-P299 HydrophobicContact CB-CG 4.07Å; K213-P299 HydrophobicContact CD-CG 4.48Å
214M83.7Confident65.6Low115 Ų11585 Ų8557%0.56751%0.509SS*.EExtended strand (participates in β ladder)trans-93.2131.1171.6-69.2-66.6-64.500109.1L295 K296M214-L295 WeakPolarHBondContact CA-O 3.34Å; M214-K296 HydrophobicContact CE-CB 4.48Å; M214-K296 HydrophobicContact SD-CB 3.46Å; M214-K296 WeakPolarHBondContact SD-CB 3.45Å; M214-K296 HydrophobicContact SD-CD 3.92Å; M214-K296 HydrophobicContact SD-CG 3.46Å; M214-K296 WeakPolarHBondContact SD-CG 3.35Å
215I85.2Confident68.1Low6 Ų681 Ų813%0.03148%0.475CS..EExtended strand (participates in β ladder)trans-126.3133.6-177.5-61.8169.7000108.5K213 I217 L261 L262 T294 L295 I297K213-I215 HydrophobicContact CD-CD1 4.28Å; K213-I215 HydrophobicContact CD-CG1 4.26Å; K213-I215 HydrophobicContact CG-CG1 4.13Å; I215-I217 HydrophobicContact CG2-CD1 4.07Å; I215-I217 HydrophobicContact CG2-CG1 3.85Å; I215-L261 HydrophobicContact CD1-CB 4.14Å; I215-L261 WeakPolarHBondContact CD1-O 3.31Å; I215-L261 HydrophobicContact CG1-CB 4.35Å; I215-L261 HydrophobicContact CG2-CB 3.53Å; I215-L261 HydrophobicContact CG2-CD1 3.62Å; I215-L261 HydrophobicContact CG2-CG 4.11Å; I215-L262 HydrophobicContact CD1-CD2 3.39Å; I215-L262 HydrophobicContact CD1-CG 4.06Å; I215-T294 CarbonylContact O-C 3.59Å; I215-T294 VanDerWaalsContact O-CA 3.28Å; I215-T294 WeakPolarHBondContact O-CA 3.43Å; I215-L295 PolarHBondContact N-O 2.66Å; I215-L295 PolarHBondContact O-N 3.14Å; I215-I297 HydrophobicContact CD1-CD1 3.42Å; I215-I297 VanDerWaalsContact CD1-CD1 3.42Å; I215-I297 HydrophobicContact CD1-CG1 3.67Å; I215-I297 HydrophobicContact CD1-CG2 4.48Å; I215-I297 HydrophobicContact CG1-CG1 4.41Å
216G86.6Confident70.8Confident37 Ų3773 Ų7338%0.38143%0.434SS..EExtended strand (participates in β ladder)trans-107.3129.117000000110.5V293G216-V293 CarbonylContact C-O 3.6Å; G216-V293 WeakPolarHBondContact CA-O 3.29Å
217I85.7Confident73.1Confident1 Ų169.2 Ų69.21%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-128.9129.6-179.3-59.5156.3000108.7I215 L225 V256 L259 L262 V293 L295I215-I217 HydrophobicContact CG2-CD1 4.07Å; I215-I217 HydrophobicContact CG2-CG1 3.85Å; I217-L225 HydrophobicContact CB-CD2 4.47Å; I217-L225 HydrophobicContact CG2-CD2 3.75Å; I217-V256 HydrophobicContact CD1-CG2 3.93Å; I217-V256 HydrophobicContact CG2-CG2 4.43Å; I217-L259 HydrophobicContact CB-CD1 4.46Å; I217-L259 HydrophobicContact CG1-CD1 4.25Å; I217-L259 HydrophobicContact CG2-CD1 4Å; I217-L262 HydrophobicContact CD1-CD1 3.9Å; I217-V293 PolarHBondContact N-O 2.98Å; I217-V293 PolarHBondContact O-N 2.93Å; I217-L295 HydrophobicContact CD1-CD1 3.85Å
218Q84.3Confident75.5Confident108 Ų10867.3 Ų67.351%0.50539%0.394SS..EExtended strand (participates in β ladder)trans-79.3128.9175.3-166.168.97.500110H255Q218-H255 PolarHBondContact O-CD2 3.09Å; Q218-H255 PolarHBondContact O-NE2 2.78Å
219K82.6Confident78Confident9 Ų964.2 Ų64.24%0.03938%0.375CS..EExtended strand (participates in β ladder)trans-132.3127.5-176-177.1-176.1176.2-69.30110.9E223 L225 L286 A289 G291 V293K219-E223 WeakPolarHBondContact CE-O 3.43Å; K219-E223 PolarHBondContact NZ-O 2.96Å; K219-L225 HydrophobicContact CB-CD2 4.15Å; K219-L225 HydrophobicContact CD-CD2 3.96Å; K219-L225 HydrophobicContact CD-CG 4.22Å; K219-L225 HydrophobicContact CG-CD2 4.1Å; K219-L286 WeakPolarHBondContact CE-O 3.45Å; K219-L286 PolarHBondContact NZ-O 3.26Å; K219-A289 PolarHBondContact NZ-O 2.91Å; K219-A289 VanDerWaalsContact NZ-O 3.13Å; K219-G291 PolarHBondContact N-O 3.32Å; K219-G291 PolarHBondContact O-N 2.85Å; K219-V293 HydrophobicContact CB-CG2 3.8Å; K219-V293 HydrophobicContact CD-CG2 3.85Å; K219-V293 HydrophobicContact CG-CG2 4.5Å
220N81.6Confident80.1Confident106 Ų10659.8 Ų59.857%0.56735%0.351SS*.  trans-76.1155.3172.1-59.8-52000111.2G222 E223N220-G222 PolarHBondContact O-N 3.39Å; N220-E223 HydrophobicContact CB-CB 4.12Å; N220-E223 VanDerWaalsContact CB-OE2 3.24Å; N220-E223 WeakPolarHBondContact CB-OE2 3.32Å; N220-E223 PolarHBondContact N-OE2 3.16Å; N220-E223 PolarHBondContact ND2-OE2 3.29Å; N220-E223 WeakPolarHBondContact O-CB 3.24Å; N220-E223 PolarHBondContact O-N 2.98Å
221H77.4Confident81.7Confident155 Ų15561.5 Ų61.572%0.71835%0.351SS*.THydrogen-bonded Turntrans-62.2125.7178.1-179-80.7000110.3E223H221-E223 VanDerWaalsContact C-N 3.28Å; H221-E223 PolarHBondContact O-N 2.9Å
222G74.4Confident82.5Confident66 Ų6662.3 Ų62.368%0.6834%0.339SS*.THydrogen-bonded Turntrans82.3-11.2-17800000115.9N220N220-G222 PolarHBondContact O-N 3.39Å
223E80.5Confident82.6Confident85 Ų8563.5 Ų63.540%0.39734%0.34SS..  trans-75.1145.1176.2-165.3177.2-171.700110.9K219 N220 H221K219-E223 WeakPolarHBondContact CE-O 3.43Å; K219-E223 PolarHBondContact NZ-O 2.96Å; N220-E223 HydrophobicContact CB-CB 4.12Å; N220-E223 VanDerWaalsContact CB-OE2 3.24Å; N220-E223 WeakPolarHBondContact CB-OE2 3.32Å; N220-E223 PolarHBondContact N-OE2 3.16Å; N220-E223 PolarHBondContact ND2-OE2 3.29Å; N220-E223 WeakPolarHBondContact O-CB 3.24Å; N220-E223 PolarHBondContact O-N 2.98Å; H221-E223 VanDerWaalsContact C-N 3.28Å; H221-E223 PolarHBondContact O-N 2.9Å
224D82.9Confident81.6Confident91 Ų9164.1 Ų64.149%0.48734%0.341SS..  trans-86.4153.817269.343.7000110.7G226 R362D224-G226 PolarHBondContact O-N 3.21Å; D224-G226 WeakPolarHBondContact OD1-CA 3.33Å; D224-G226 PolarHBondContact OD1-N 2.61Å; D224-R362 IonicContact OD2-NH2 2.65Å; D224-R362 PolarHBondContact OD2-NH2 3.39Å; D224-R362 VanDerWaalsContact OD2-NH2 3.15Å
225L82.8Confident80Confident9 Ų965.8 Ų65.85%0.04735%0.349CS..  trans-77.2-5.4174-71.1-177.6000112.3I217 K219 I227 V256 L286 L295I217-L225 HydrophobicContact CB-CD2 4.47Å; I217-L225 HydrophobicContact CG2-CD2 3.75Å; K219-L225 HydrophobicContact CB-CD2 4.15Å; K219-L225 HydrophobicContact CD-CD2 3.96Å; K219-L225 HydrophobicContact CD-CG 4.22Å; K219-L225 HydrophobicContact CG-CD2 4.1Å; L225-I227 HydrophobicContact CB-CG1 4.25Å; L225-V256 HydrophobicContact CB-CG2 3.92Å; L225-V256 HydrophobicContact CD2-CG2 4.4Å; L225-V256 WeakPolarHBondContact O-CB 3.4Å; L225-V256 WeakPolarHBondContact O-CG2 3.32Å; L225-L286 HydrophobicContact CD1-CD1 3.92Å; L225-L286 HydrophobicContact CD1-CD2 3.92Å; L225-L295 HydrophobicContact CD1-CD1 4.43Å
226G84.7Confident77.9Confident2 Ų266.7 Ų66.72%0.02136%0.356CS..SBendtrans62.636.4-171.300000115.1D224 L251D224-G226 PolarHBondContact O-N 3.21Å; D224-G226 WeakPolarHBondContact OD1-CA 3.33Å; D224-G226 PolarHBondContact OD1-N 2.61Å; G226-L251 WeakPolarHBondContact O-CB 3.48Å; G226-L251 WeakPolarHBondContact O-CG 3.42Å; G226-L251 PolarHBondContact O-N 2.77Å
227I88.4Confident75.5Confident32 Ų3269.8 Ų69.816%0.16438%0.378CS..EExtended strand (participates in β ladder)trans-119.6149.5173.364.8175.2000111.2L225 I247 I250 V256 L262 I268L225-I227 HydrophobicContact CB-CG1 4.25Å; I227-I247 HydrophobicContact CD1-CD1 4.48Å; I227-I250 HydrophobicContact CG2-CG1 4.23Å; I227-V256 HydrophobicContact CG2-CB 4.14Å; I227-V256 HydrophobicContact CG2-CG1 3.8Å; I227-V256 HydrophobicContact CG2-CG2 4.13Å; I227-L262 HydrophobicContact CD1-CD1 4.43Å; I227-L262 HydrophobicContact CG2-CD1 4.37Å; I227-I268 HydrophobicContact CD1-CD1 4.02Å
228T84.8Confident73.1Confident58 Ų5877.2 Ų77.236%0.35641%0.412SS..EExtended strand (participates in β ladder)trans-117.7138.7166.970.30000109.2K248 R249T228-K248 PolarHBondContact O-N 2.77Å; T228-R249 HydrophobicContact CG2-CB 4.47Å; T228-R249 PolarHBondContact N-O 3.14Å; T228-R249 PolarHBondContact O-N 3.27Å; T228-R249 WeakPolarHBondContact OG1-CB 3.26Å; T228-R249 PolarHBondContact OG1-N 3.42Å; T228-R249 PolarHBondContact OG1-O 2.99Å
229V88.4Confident71.3Confident34 Ų3479 Ų7921%0.20642%0.415CS..EExtended strand (participates in β ladder)trans-121.2148.9-179-66.10000110L245 V246 I247 I268 P279 L282V229-L245 HydrophobicContact CB-CD2 4.14Å; V229-L245 HydrophobicContact CG2-CD2 3.94Å; V229-V246 CarbonylContact C-O 3.56Å; V229-V246 VanDerWaalsContact CA-O 3.29Å; V229-V246 WeakPolarHBondContact CA-O 3.39Å; V229-I247 HydrophobicContact CG1-CG1 4.23Å; V229-I268 HydrophobicContact CG1-CD1 3.91Å; V229-P279 HydrophobicContact CG2-CB 4.11Å; V229-L282 HydrophobicContact CB-CD2 4.49Å; V229-L282 HydrophobicContact CG1-CD2 3.95Å; V229-L282 HydrophobicContact CG2-CD2 3.88Å
230I85.1Confident70.1Confident70 Ų7080.1 Ų80.136%0.35943%0.429SS..EExtended strand (participates in β ladder)trans-120.1143.8169.561171.9000108.9V246 K248I230-V246 HydrophobicContact CG1-CB 4.2Å; I230-V246 PolarHBondContact N-O 3.28Å; I230-V246 PolarHBondContact O-N 3.31Å; I230-K248 HydrophobicContact CD1-CB 4.42Å; I230-K248 HydrophobicContact CD1-CD 3.98Å; I230-K248 HydrophobicContact CD1-CG 4.35Å; I230-K248 HydrophobicContact CG1-CB 4.14Å; I230-K248 HydrophobicContact CG2-CB 3.8Å; I230-K248 HydrophobicContact CG2-CG 3.97Å
231Q86Confident69.2Low68 Ų6880 Ų8032%0.31843%0.428SS..EExtended strand (participates in β ladder)trans-84.5112.9168.4-173-175.768.800108.3Q233 K243 E244 D277Q231-Q233 HydrophobicContact CG-CG 4.46Å; Q231-Q233 VanDerWaalsContact OE1-NE2 3.07Å; Q231-K243 HydrophobicContact CG-CB 4.42Å; Q231-E244 CarbonylContact C-O 3.6Å; Q231-E244 WeakPolarHBondContact CA-O 3.35Å; Q231-D277 PolarHBondContact NE2-O 2.74Å
232Q75Confident68.5Low106 Ų10673.5 Ų73.550%0.49540%0.399SS..EExtended strand (participates in β ladder)trans-98.5136.3171.8-167.8165.3-2.300109E244 V246Q232-E244 PolarHBondContact N-O 2.86Å; Q232-E244 PolarHBondContact O-N 3.24Å; Q232-V246 HydrophobicContact CB-CG2 4Å
233Q76.4Confident68.5Low98 Ų9874.4 Ų74.446%0.45838%0.384SS..EExtended strand (participates in β ladder)trans-118.7133.1178.1-54.7-174.1-0.600108.7Q231 V242 K243Q231-Q233 HydrophobicContact CG-CG 4.46Å; Q231-Q233 VanDerWaalsContact OE1-NE2 3.07Å; Q233-V242 WeakPolarHBondContact CA-O 3.29Å; Q233-K243 HydrophobicContact CG-CG 4.1Å
234Y57.5Low68.5Low90 Ų9071.8 Ų71.835%0.35337%0.372SS..EExtended strand (participates in β ladder)trans-140.5156.3172.864.7-85.7000110.5V242 E244Y234-V242 HydrophobicContact CD1-CB 4.39Å; Y234-V242 HydrophobicContact CD2-CB 4.39Å; Y234-V242 HydrophobicContact CE1-CB 3.92Å; Y234-V242 HydrophobicContact CE1-CG1 3.88Å; Y234-V242 HydrophobicContact CE2-CB 3.91Å; Y234-V242 HydrophobicContact CE2-CG1 4.41Å; Y234-V242 HydrophobicContact CE2-CG2 4.14Å; Y234-V242 PolarHBondContact N-O 3.36Å; Y234-V242 PolarHBondContact O-N 3.04Å; Y234-E244 HydrophobicContact CE1-CG 3.98Å; Y234-E244 WeakPolarHBondContact CE1-OE1 3.48Å; Y234-E244 PolarHBondContact OH-OE1 2.89Å
235M48.6Very low68.6Low151 Ų15167.5 Ų67.574%0.74435%0.349SS*.EExtended strand (participates in β ladder)trans-88.9120171-74.6-155.77100109.7L241M235-L241 HydrophobicContact CG-CD1 4.26Å
236S42Very low68.7Low24 Ų2467.9 Ų67.917%0.16835%0.352CS..EExtended strand (participates in β ladder)trans-95.1135.1167177.30000109.8H238 Y239 G240S236-H238 PolarHBondContact O-N 3.11Å; S236-H238 VanDerWaalsContact O-N 3.13Å; S236-H238 PolarHBondContact OG-N 3.44Å; S236-Y239 PolarHBondContact O-N 3.43Å; S236-Y239 VanDerWaalsContact OG-CD2 3.29Å; S236-Y239 WeakPolarHBondContact OG-CD2 3.36Å; S236-G240 PolarHBondContact N-O 2.69Å; S236-G240 PolarHBondContact O-N 3.24Å
237A36.1Very low68.8Low102 Ų10267.8 Ų67.884%0.84335%0.351SS*.THydrogen-bonded Turntrans-59-22.6173.800000113
238H36.3Very low68.6Low158 Ų15872.1 Ų72.173%0.73137%0.368SS*.THydrogen-bonded Turntrans-104-27-176-63.9-66.1000114.1S236S236-H238 PolarHBondContact O-N 3.11Å; S236-H238 VanDerWaalsContact O-N 3.13Å; S236-H238 PolarHBondContact OG-N 3.44Å
239Y46.5Very low68.3Low146 Ų14672.8 Ų72.857%0.57336%0.364SS*.THydrogen-bonded Turntrans-122.22.8-171-49.6-69000113.8V208 S236V208-Y239 HydrophobicContact CG2-CD2 4.36Å; V208-Y239 HydrophobicContact CG2-CE1 4.39Å; V208-Y239 HydrophobicContact CG2-CE2 3.32Å; V208-Y239 WeakPolarHBondContact CG2-OH 3.35Å; S236-Y239 PolarHBondContact O-N 3.43Å; S236-Y239 VanDerWaalsContact OG-CD2 3.29Å; S236-Y239 WeakPolarHBondContact OG-CD2 3.36Å
240G55.7Low68Low32 Ų3271.6 Ų71.633%0.3336%0.357SS..EExtended strand (participates in β ladder)trans68.8-142.1-174.400000111.7S236 V242S236-G240 PolarHBondContact N-O 2.69Å; S236-G240 PolarHBondContact O-N 3.24Å; G240-V242 PolarHBondContact O-N 3.22Å
241L63.1Low67.7Low103 Ų10370.5 Ų70.554%0.53935%0.352SS..EExtended strand (participates in β ladder)trans-73.1108179.1-166.789.6000110.1M235M235-L241 HydrophobicContact CG-CD1 4.26Å
242V63Low67.1Low19 Ų1967.4 Ų67.412%0.11534%0.338CS..EExtended strand (participates in β ladder)trans-97.8133.7177-175.20000109.4Q233 Y234 G240 E244Q233-V242 WeakPolarHBondContact CA-O 3.29Å; Y234-V242 HydrophobicContact CD1-CB 4.39Å; Y234-V242 HydrophobicContact CD2-CB 4.39Å; Y234-V242 HydrophobicContact CE1-CB 3.92Å; Y234-V242 HydrophobicContact CE1-CG1 3.88Å; Y234-V242 HydrophobicContact CE2-CB 3.91Å; Y234-V242 HydrophobicContact CE2-CG1 4.41Å; Y234-V242 HydrophobicContact CE2-CG2 4.14Å; Y234-V242 PolarHBondContact N-O 3.36Å; Y234-V242 PolarHBondContact O-N 3.04Å; G240-V242 PolarHBondContact O-N 3.22Å; V242-E244 HydrophobicContact CG1-CG 4.2Å
243K74.7Confident67Low85 Ų8564.2 Ų64.237%0.3733%0.329SS..EExtended strand (participates in β ladder)trans-110.2129.4174.5-54.4-174.2-177.91740109.2Q231 Q233Q231-K243 HydrophobicContact CG-CB 4.42Å; Q233-K243 HydrophobicContact CG-CG 4.1Å
244E80Confident67.1Low29 Ų2960.2 Ų60.214%0.13631%0.312CS..EExtended strand (participates in β ladder)trans-128.3137.9-179.2-77.9-179.3-175.300110.8Q231 Q232 Y234 V242 V246 V267 R269Q231-E244 CarbonylContact C-O 3.6Å; Q231-E244 WeakPolarHBondContact CA-O 3.35Å; Q232-E244 PolarHBondContact N-O 2.86Å; Q232-E244 PolarHBondContact O-N 3.24Å; Y234-E244 HydrophobicContact CE1-CG 3.98Å; Y234-E244 WeakPolarHBondContact CE1-OE1 3.48Å; Y234-E244 PolarHBondContact OH-OE1 2.89Å; V242-E244 HydrophobicContact CG1-CG 4.2Å; E244-V246 HydrophobicContact CB-CG2 4.39Å; E244-V267 HydrophobicContact CB-CG1 3.77Å; E244-V267 HydrophobicContact CG-CG1 3.88Å; E244-R269 IonicContact OE1-CZ 3.6Å; E244-R269 IonicContact OE1-NH1 3.91Å; E244-R269 IonicContact OE1-NH2 2.69Å; E244-R269 PolarHBondContact OE1-NH2 3.26Å
245L86.2Confident68Low1 Ų159 Ų591%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-93.6102.6172.8-85.4165.3000109.4V229 V267 I268 V276 P279 L282V229-L245 HydrophobicContact CB-CD2 4.14Å; V229-L245 HydrophobicContact CG2-CD2 3.94Å; L245-V267 CarbonylContact O-C 3.56Å; L245-V267 VanDerWaalsContact O-CA 3.3Å; L245-V267 WeakPolarHBondContact O-CA 3.43Å; L245-I268 HydrophobicContact CB-CB 4.45Å; L245-I268 PolarHBondContact O-N 2.97Å; L245-V276 HydrophobicContact CD1-CB 3.77Å; L245-V276 HydrophobicContact CD1-CG2 3.86Å; L245-P279 HydrophobicContact CD2-CB 4.21Å; L245-L282 HydrophobicContact CD1-CB 4.4Å
246V84.8Confident69.6Low17 Ų1751.9 Ų51.910%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-98.8131.1-177.4-171.30000109.5V229 I230 Q232 E244 K248 V267V229-V246 CarbonylContact C-O 3.56Å; V229-V246 VanDerWaalsContact CA-O 3.29Å; V229-V246 WeakPolarHBondContact CA-O 3.39Å; I230-V246 HydrophobicContact CG1-CB 4.2Å; I230-V246 PolarHBondContact N-O 3.28Å; I230-V246 PolarHBondContact O-N 3.31Å; Q232-V246 HydrophobicContact CB-CG2 4Å; E244-V246 HydrophobicContact CB-CG2 4.39Å; V246-K248 PolarHBondContact O-N 2.98Å; V246-V267 HydrophobicContact CG2-CG2 4.26Å
247I86.4Confident71.4Confident1 Ų153.7 Ų53.71%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-67.1115.6171.7-61.4-174.7000108.4I227 V229 I250 L262 G265 D266 I268I227-I247 HydrophobicContact CD1-CD1 4.48Å; V229-I247 HydrophobicContact CG1-CG1 4.23Å; I247-I250 HydrophobicContact CG2-CD1 4.34Å; I247-I250 HydrophobicContact CG2-CG1 3.8Å; I247-L262 HydrophobicContact CD1-CB 4Å; I247-L262 HydrophobicContact CD1-CD1 3.99Å; I247-L262 HydrophobicContact CD1-CD2 3.91Å; I247-L262 HydrophobicContact CD1-CG 4.2Å; I247-G265 PolarHBondContact O-N 2.99Å; I247-D266 HydrophobicContact CD1-CB 4.01Å; I247-D266 HydrophobicContact CG1-CB 4.36Å; I247-D266 WeakPolarHBondContact CG1-O 3.41Å; I247-D266 PolarHBondContact N-O 2.89Å; I247-I268 HydrophobicContact CD1-CD1 4.1Å; I247-I268 HydrophobicContact CD1-CG1 4.2Å; I247-I268 HydrophobicContact CG1-CD1 3.98Å; I247-I268 HydrophobicContact CG1-CG1 4.04Å
248K83.3Confident73.4Confident122 Ų12255.6 Ų55.653%0.5327%0.272SS..EExtended strand (participates in β ladder)trans-94.4-29.8-177.2-174.454.3174177.40113.2T228 I230 V246 V264T228-K248 PolarHBondContact O-N 2.77Å; I230-K248 HydrophobicContact CD1-CB 4.42Å; I230-K248 HydrophobicContact CD1-CD 3.98Å; I230-K248 HydrophobicContact CD1-CG 4.35Å; I230-K248 HydrophobicContact CG1-CB 4.14Å; I230-K248 HydrophobicContact CG2-CB 3.8Å; I230-K248 HydrophobicContact CG2-CG 3.97Å; V246-K248 PolarHBondContact O-N 2.98Å; K248-V264 WeakPolarHBondContact O-CG1 3.33Å
249R79.1Confident75.6Confident72 Ų7251.3 Ų51.327%0.27225%0.254SS..EExtended strand (participates in β ladder)trans-154.8140.2-179.5-165.1-178.7-76.8-178.4-8109.2T228 D348T228-R249 HydrophobicContact CG2-CB 4.47Å; T228-R249 PolarHBondContact N-O 3.14Å; T228-R249 PolarHBondContact O-N 3.27Å; T228-R249 WeakPolarHBondContact OG1-CB 3.26Å; T228-R249 PolarHBondContact OG1-N 3.42Å; T228-R249 PolarHBondContact OG1-O 2.99Å; R249-D348 IonicContact NH2-OD2 2.74Å; R249-D348 PolarHBondContact NH2-OD2 3.47Å
250I82.7Confident77.2Confident10 Ų1049.1 Ų49.15%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-110.4122.4166.7-58.2179000106.7I227 I247 V256 E257 L262 V264 K345I227-I250 HydrophobicContact CG2-CG1 4.23Å; I247-I250 HydrophobicContact CG2-CD1 4.34Å; I247-I250 HydrophobicContact CG2-CG1 3.8Å; I250-V256 HydrophobicContact CD1-CG1 4.34Å; I250-V256 HydrophobicContact CG2-CG1 4.07Å; I250-E257 HydrophobicContact CG2-CB 4.03Å; I250-L262 VanDerWaalsContact CD1-C 3.46Å; I250-L262 HydrophobicContact CD1-CB 4.11Å; I250-L262 WeakPolarHBondContact CD1-O 3.48Å; I250-V264 HydrophobicContact CG1-CG2 4.25Å; I250-K345 PolarHBondContact O-NZ 3.41Å
251L79.2Confident78.5Confident47 Ų4750.1 Ų50.125%0.24625%0.25CC..  trans-66.5133.6178.7-61.8-174.5000109.3G226 S254G226-L251 WeakPolarHBondContact O-CB 3.48Å; G226-L251 WeakPolarHBondContact O-CG 3.42Å; G226-L251 PolarHBondContact O-N 2.77Å; L251-S254 VanDerWaalsContact O-CB 3.24Å; L251-S254 WeakPolarHBondContact O-CB 3.33Å; L251-S254 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-OG 3.43Å
252A72.5Confident79.5Confident3 Ų345.4 Ų45.43%0.02523%0.225CC..THydrogen-bonded Turntrans-67.6145.5178.100000112S254 E257 L344 A363A252-S254 PolarHBondContact O-N 3.43Å; A252-E257 WeakPolarHBondContact CA-OE2 3.28Å; A252-L344 HydrophobicContact CB-CB 4.1Å; A252-L344 HydrophobicContact CB-CD1 3.62Å; A252-A363 HydrophobicContact CB-CB 3.67Å; A252-A363 WeakPolarHBondContact O-CB 3.42Å
253A72.1Confident80.4Confident39 Ų3946.6 Ų46.632%0.32223%0.229SC..THydrogen-bonded Turntrans61.615.3-170.700000115.4E257A253-E257 PolarHBondContact N-OE2 3.1Å
254S78.9Confident80.8Confident13 Ų1344.4 Ų44.49%0.09122%0.223CC..  trans-72.6156.1169.863.90000111.5L251 A252 V256 E257 Q258L251-S254 VanDerWaalsContact O-CB 3.24Å; L251-S254 WeakPolarHBondContact O-CB 3.33Å; L251-S254 PolarHBondContact O-N 2.87Å; L251-S254 PolarHBondContact O-OG 3.43Å; A252-S254 PolarHBondContact O-N 3.43Å; S254-V256 PolarHBondContact O-N 3.15Å; S254-E257 PolarHBondContact O-N 3.01Å; S254-E257 VanDerWaalsContact O-N 3.08Å; S254-E257 PolarHBondContact OG-N 2.62Å; S254-Q258 PolarHBondContact O-N 3.37Å; S254-Q258 VanDerWaalsContact O-N 3.12Å
255H77Confident80.7Confident65 Ų6543.9 Ų43.930%0.30123%0.225SC..Hα-helixtrans-58.9-32.5175.3-16556.8000111.9Q218 Q258 L259Q218-H255 PolarHBondContact O-CD2 3.09Å; Q218-H255 PolarHBondContact O-NE2 2.78Å; H255-Q258 PolarHBondContact O-N 3.16Å; H255-L259 VanDerWaalsContact O-CG 3.29Å; H255-L259 WeakPolarHBondContact O-CG 3.22Å; H255-L259 PolarHBondContact O-N 2.89Å
256V80.9Confident80.7Confident1 Ų144 Ų441%0.00623%0.226CC..Hα-helixtrans-65.4-41175.2168.70000112.6I217 L225 I227 I250 S254 D260 L262I217-V256 HydrophobicContact CD1-CG2 3.93Å; I217-V256 HydrophobicContact CG2-CG2 4.43Å; L225-V256 HydrophobicContact CB-CG2 3.92Å; L225-V256 HydrophobicContact CD2-CG2 4.4Å; L225-V256 WeakPolarHBondContact O-CB 3.4Å; L225-V256 WeakPolarHBondContact O-CG2 3.32Å; I227-V256 HydrophobicContact CG2-CB 4.14Å; I227-V256 HydrophobicContact CG2-CG1 3.8Å; I227-V256 HydrophobicContact CG2-CG2 4.13Å; I250-V256 HydrophobicContact CD1-CG1 4.34Å; I250-V256 HydrophobicContact CG2-CG1 4.07Å; S254-V256 PolarHBondContact O-N 3.15Å; V256-D260 PolarHBondContact O-N 3.43Å; V256-L262 HydrophobicContact CG1-CB 3.64Å; V256-L262 HydrophobicContact CG1-CD1 3.62Å; V256-L262 HydrophobicContact CG1-CG 4.01Å; V256-L262 HydrophobicContact CG2-CD1 4.15Å
257E79.7Confident80.7Confident63 Ų6343.8 Ų43.829%0.29423%0.225SC..Hα-helixtrans-68.2-40.8177.5-171.8178.9-111.500111.6I250 A252 A253 S254 L259 D260 K345I250-E257 HydrophobicContact CG2-CB 4.03Å; A252-E257 WeakPolarHBondContact CA-OE2 3.28Å; A253-E257 PolarHBondContact N-OE2 3.1Å; S254-E257 PolarHBondContact O-N 3.01Å; S254-E257 VanDerWaalsContact O-N 3.08Å; S254-E257 PolarHBondContact OG-N 2.62Å; E257-L259 VanDerWaalsContact C-N 3.26Å; E257-L259 PolarHBondContact O-N 3.11Å; E257-D260 PolarHBondContact O-N 2.94Å; E257-D260 VanDerWaalsContact O-N 3.14Å; E257-K345 WeakPolarHBondContact OE1-CE 3.35Å; E257-K345 IonicContact OE1-NZ 2.84Å; E257-K345 PolarHBondContact OE1-NZ 3.47Å
258Q79.6Confident80.7Confident142 Ų14243.8 Ų43.866%0.66423%0.225SC*.Hα-helixtrans-61.7-34.1178.2-70.2178.5-7.900113.1S254 H255S254-Q258 PolarHBondContact O-N 3.37Å; S254-Q258 VanDerWaalsContact O-N 3.12Å; H255-Q258 PolarHBondContact O-N 3.16Å
259L81.8Confident80.8Confident68 Ų6841.8 Ų41.836%0.35621%0.214SC..Hα-helixtrans-78.9-21.1178.4-68.7173.3000112.8I217 H255 E257 L261I217-L259 HydrophobicContact CB-CD1 4.46Å; I217-L259 HydrophobicContact CG1-CD1 4.25Å; I217-L259 HydrophobicContact CG2-CD1 4Å; H255-L259 VanDerWaalsContact O-CG 3.29Å; H255-L259 WeakPolarHBondContact O-CG 3.22Å; H255-L259 PolarHBondContact O-N 2.89Å; E257-L259 VanDerWaalsContact C-N 3.26Å; E257-L259 PolarHBondContact O-N 3.11Å; L259-L261 HydrophobicContact CB-CB 4.46Å; L259-L261 HydrophobicContact CB-CD1 3.83Å; L259-L261 HydrophobicContact CB-CG 3.88Å; L259-L261 HydrophobicContact CD1-CD1 4.11Å; L259-L261 HydrophobicContact CG-CD1 4.43Å; L259-L261 WeakPolarHBondContact O-CG 3.19Å; L259-L261 PolarHBondContact O-N 3.36Å
260D80.9Confident81.2Confident100 Ų10041.1 Ų41.154%0.53521%0.214SC..THydrogen-bonded Turntrans54.630.6-177-158.838.9000113.6V256 E257 H263V256-D260 PolarHBondContact O-N 3.43Å; E257-D260 PolarHBondContact O-N 2.94Å; E257-D260 VanDerWaalsContact O-N 3.14Å; D260-H263 IonicContact OD1-NE2 2.59Å
261L82.3Confident81.4Confident53 Ų5340.6 Ų40.628%0.27721%0.211SC..  trans-90.9-31.3-175.1-66.8171.8000113K213 I215 L259K213-L261 PolarHBondContact NZ-O 3.42Å; K213-L261 VanDerWaalsContact NZ-O 3.14Å; I215-L261 HydrophobicContact CD1-CB 4.14Å; I215-L261 WeakPolarHBondContact CD1-O 3.31Å; I215-L261 HydrophobicContact CG1-CB 4.35Å; I215-L261 HydrophobicContact CG2-CB 3.53Å; I215-L261 HydrophobicContact CG2-CD1 3.62Å; I215-L261 HydrophobicContact CG2-CG 4.11Å; L259-L261 HydrophobicContact CB-CB 4.46Å; L259-L261 HydrophobicContact CB-CD1 3.83Å; L259-L261 HydrophobicContact CB-CG 3.88Å; L259-L261 HydrophobicContact CD1-CD1 4.11Å; L259-L261 HydrophobicContact CG-CD1 4.43Å; L259-L261 WeakPolarHBondContact O-CG 3.19Å; L259-L261 PolarHBondContact O-N 3.36Å
262L84.5Confident81.8Confident3 Ų341.5 Ų41.52%0.01622%0.216CC..  trans-112.9144.8179.8-64.9173.6000110.3I215 I217 I227 I247 I250 V256 D266 L295 I297I215-L262 HydrophobicContact CD1-CD2 3.39Å; I215-L262 HydrophobicContact CD1-CG 4.06Å; I217-L262 HydrophobicContact CD1-CD1 3.9Å; I227-L262 HydrophobicContact CD1-CD1 4.43Å; I227-L262 HydrophobicContact CG2-CD1 4.37Å; I247-L262 HydrophobicContact CD1-CB 4Å; I247-L262 HydrophobicContact CD1-CD1 3.99Å; I247-L262 HydrophobicContact CD1-CD2 3.91Å; I247-L262 HydrophobicContact CD1-CG 4.2Å; I250-L262 VanDerWaalsContact CD1-C 3.46Å; I250-L262 HydrophobicContact CD1-CB 4.11Å; I250-L262 WeakPolarHBondContact CD1-O 3.48Å; V256-L262 HydrophobicContact CG1-CB 3.64Å; V256-L262 HydrophobicContact CG1-CD1 3.62Å; V256-L262 HydrophobicContact CG1-CG 4.01Å; V256-L262 HydrophobicContact CG2-CD1 4.15Å; L262-D266 WeakPolarHBondContact CA-OD2 3.35Å; L262-L295 HydrophobicContact CD1-CD1 3.88Å; L262-I297 HydrophobicContact CD2-CD1 3.94Å; L262-I297 HydrophobicContact CD2-CG2 3.81Å
263H81.3Confident82.2Confident44 Ų4443.9 Ų43.920%0.20424%0.241CC..  trans-126.1158.4178.8-61.980.3000111.2D260 G265 D266D260-H263 IonicContact OD1-NE2 2.59Å; H263-G265 PolarHBondContact O-N 2.91Å; H263-D266 PolarHBondContact N-OD2 2.97Å; H263-D266 WeakPolarHBondContact O-CB 3.36Å; H263-D266 PolarHBondContact O-N 3.34Å; H263-D266 VanDerWaalsContact O-N 3.15Å
264V82.5Confident82.9Confident40 Ų4045.1 Ų45.124%0.24224%0.244CC..THydrogen-bonded Turntrans-64.7129.2169.6178.20000108.4K248 I250K248-V264 WeakPolarHBondContact O-CG1 3.33Å; I250-V264 HydrophobicContact CG1-CG2 4.25Å
265G78.8Confident83.1Confident18 Ų1849 Ų4919%0.18627%0.27CS..THydrogen-bonded Turntrans98.9-11.6-173.300000114.5I247 H263 G300I247-G265 PolarHBondContact O-N 2.99Å; H263-G265 PolarHBondContact O-N 2.91Å; G265-G300 WeakPolarHBondContact O-CA 3.21Å
266D85.2Confident83.4Confident2 Ų246.4 Ų46.41%0.01126%0.258CS..PPolyproline II helixtrans-63.9139.2173.6-71.2-6.5000110.8I247 L262 H263 I297 I298 P299 G300I247-D266 HydrophobicContact CD1-CB 4.01Å; I247-D266 HydrophobicContact CG1-CB 4.36Å; I247-D266 WeakPolarHBondContact CG1-O 3.41Å; I247-D266 PolarHBondContact N-O 2.89Å; L262-D266 WeakPolarHBondContact CA-OD2 3.35Å; H263-D266 PolarHBondContact N-OD2 2.97Å; H263-D266 WeakPolarHBondContact O-CB 3.36Å; H263-D266 PolarHBondContact O-N 3.34Å; H263-D266 VanDerWaalsContact O-N 3.15Å; D266-I297 HydrophobicContact CB-CD1 4Å; D266-I297 WeakPolarHBondContact OD2-CD1 3.46Å; D266-I298 WeakPolarHBondContact CA-O 3.36Å; D266-P299 VanDerWaalsContact OD1-CA 3.3Å; D266-P299 WeakPolarHBondContact OD1-CA 3.27Å; D266-G300 PolarHBondContact OD1-N 3.2Å
267V85.4Confident83.4Confident14 Ų1449.9 Ų49.99%0.08528%0.277CS..EExtended strand (participates in β ladder)trans-102118.1179-1750000110.2E244 L245 V246 I297 I298E244-V267 HydrophobicContact CB-CG1 3.77Å; E244-V267 HydrophobicContact CG-CG1 3.88Å; L245-V267 CarbonylContact O-C 3.56Å; L245-V267 VanDerWaalsContact O-CA 3.3Å; L245-V267 WeakPolarHBondContact O-CA 3.43Å; V246-V267 HydrophobicContact CG2-CG2 4.26Å; V267-I297 CarbonylContact O-C 3.48Å; V267-I297 WeakPolarHBondContact O-CA 3.45Å; V267-I298 HydrophobicContact CB-CB 4.18Å; V267-I298 PolarHBondContact N-O 3.15Å; V267-I298 PolarHBondContact O-N 2.82Å
268I87.7Confident83.5Confident1 Ų148.6 Ų48.61%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-84.3123.1177.4-50.2179.8000109.4I227 V229 L245 I247 V276 L282 L295 I297I227-I268 HydrophobicContact CD1-CD1 4.02Å; V229-I268 HydrophobicContact CG1-CD1 3.91Å; L245-I268 HydrophobicContact CB-CB 4.45Å; L245-I268 PolarHBondContact O-N 2.97Å; I247-I268 HydrophobicContact CD1-CD1 4.1Å; I247-I268 HydrophobicContact CD1-CG1 4.2Å; I247-I268 HydrophobicContact CG1-CD1 3.98Å; I247-I268 HydrophobicContact CG1-CG1 4.04Å; I268-V276 HydrophobicContact CB-CG2 4.37Å; I268-V276 HydrophobicContact CG2-CG2 3.66Å; I268-L282 HydrophobicContact CD1-CD2 3.97Å; I268-L282 HydrophobicContact CG2-CD1 4.46Å; I268-L295 HydrophobicContact CG2-CD2 4.23Å; I268-I297 HydrophobicContact CG1-CG2 4.23Å
269R83.8Confident83.8Confident80 Ų8043.6 Ų43.630%0.30225%0.252SS..EExtended strand (participates in β ladder)trans-106-40.5179-70-67.6-167.6-175.5-3.1113.2E244 P275 V276 K296 I298E244-R269 IonicContact OE1-CZ 3.6Å; E244-R269 IonicContact OE1-NH1 3.91Å; E244-R269 IonicContact OE1-NH2 2.69Å; E244-R269 PolarHBondContact OE1-NH2 3.26Å; R269-P275 WeakPolarHBondContact O-CA 3.34Å; R269-V276 PolarHBondContact O-N 3Å; R269-K296 PolarHBondContact N-O 3.27Å; R269-I298 HydrophobicContact CG-CD1 4.06Å; R269-I298 HydrophobicContact CG-CG1 4.2Å
270E88.2Confident84Confident57 Ų5745.7 Ų45.727%0.26626%0.26SS..EExtended strand (participates in β ladder)trans-138145.2178.6-60.1164.4-154.400110.2V274 P275 L295 K296E270-V274 CarbonylContact C-O 3.51Å; E270-V274 VanDerWaalsContact CA-O 3.24Å; E270-V274 WeakPolarHBondContact CA-O 3.33Å; E270-P275 HydrophobicContact CG-CB 4.42Å; E270-L295 WeakPolarHBondContact O-CA 3.17Å; E270-K296 HydrophobicContact CB-CB 3.81Å; E270-K296 HydrophobicContact CB-CD 4.29Å; E270-K296 HydrophobicContact CG-CB 4.43Å; E270-K296 HydrophobicContact CG-CD 4.07Å; E270-K296 PolarHBondContact N-O 2.83Å; E270-K296 PolarHBondContact O-N 3.28Å; E270-K296 WeakPolarHBondContact OE1-CD 3.38Å; E270-K296 IonicContact OE1-NZ 2.77Å; E270-K296 PolarHBondContact OE1-NZ 3.18Å; E270-K296 VanDerWaalsContact OE2-CD 3.26Å; E270-K296 WeakPolarHBondContact OE2-CD 3.22Å; E270-K296 IonicContact OE2-NZ 3.53Å
271A87.4Confident84.3Confident0 Ų043 Ų430%025%0.247CC..EExtended strand (participates in β ladder)trans-127.8121.1170.600000109.1G273 V274 V276 L282 V285 T294 L295A271-G273 PolarHBondContact O-N 3.14Å; A271-V274 PolarHBondContact N-O 3.02Å; A271-V274 WeakPolarHBondContact O-CB 3.41Å; A271-V274 PolarHBondContact O-N 3.33Å; A271-V276 HydrophobicContact CB-CG1 4.1Å; A271-L282 HydrophobicContact CB-CD1 3.85Å; A271-V285 HydrophobicContact CB-CG1 3.95Å; A271-T294 CarbonylContact C-O 3.46Å; A271-T294 WeakPolarHBondContact CA-O 3.35Å; A271-L295 HydrophobicContact CB-CD2 3.6Å
272N87.2Confident84.6Confident65 Ų6540.8 Ų40.835%0.34824%0.235SC..THydrogen-bonded Turntrans51.638.6-174.5-72.6-16.5000113.9V274 V293 T294N272-V274 PolarHBondContact O-N 3.22Å; N272-V293 WeakPolarHBondContact OD1-CA 3.33Å; N272-T294 WeakPolarHBondContact CA-OG1 3.48Å; N272-T294 PolarHBondContact N-O 3.04Å; N272-T294 PolarHBondContact OD1-N 3.43Å; N272-T294 PolarHBondContact OD1-OG1 3.36Å
273G81.3Confident84.7Confident54 Ų5447.4 Ų47.456%0.55727%0.266SS*.THydrogen-bonded Turntrans75.80.3-177.700000114.8A271A271-G273 PolarHBondContact O-N 3.14Å
274V86.1Confident84.9Confident64 Ų6452.2 Ų52.239%0.38829%0.286SS..EExtended strand (participates in β ladder)trans-92.4122.3173.7-176.80000108.9E270 A271 N272 V276 V285E270-V274 CarbonylContact C-O 3.51Å; E270-V274 VanDerWaalsContact CA-O 3.24Å; E270-V274 WeakPolarHBondContact CA-O 3.33Å; A271-V274 PolarHBondContact N-O 3.02Å; A271-V274 WeakPolarHBondContact O-CB 3.41Å; A271-V274 PolarHBondContact O-N 3.33Å; N272-V274 PolarHBondContact O-N 3.22Å; V274-V276 PolarHBondContact O-N 2.91Å; V274-V285 HydrophobicContact CB-CG2 4.27Å; V274-V285 HydrophobicContact CG1-CG2 4.19Å
275P83.2Confident85.1Confident96 Ų9651.6 Ų51.662%0.62328%0.283SS*.EExtended strand (participates in β ladder)trans-64.6132.7174.126.4-32.7000110.5R269 E270R269-P275 WeakPolarHBondContact O-CA 3.34Å; E270-P275 HydrophobicContact CG-CB 4.42Å
276V83.9Confident85.4Confident9 Ų951.8 Ų51.86%0.05528%0.279CS..  trans-118.9122.8-177.8-65.60000109.7L245 I268 R269 A271 V274 V281 L282L245-V276 HydrophobicContact CD1-CB 3.77Å; L245-V276 HydrophobicContact CD1-CG2 3.86Å; I268-V276 HydrophobicContact CB-CG2 4.37Å; I268-V276 HydrophobicContact CG2-CG2 3.66Å; R269-V276 PolarHBondContact O-N 3Å; A271-V276 HydrophobicContact CB-CG1 4.1Å; V274-V276 PolarHBondContact O-N 2.91Å; V276-V281 HydrophobicContact CG1-CG1 4.15Å; V276-L282 HydrophobicContact CB-CB 4.47Å; V276-L282 HydrophobicContact CG1-CB 4.34Å; V276-L282 HydrophobicContact CG1-CD1 4.18Å; V276-L282 HydrophobicContact CG2-CD1 4.34Å
277D80Confident85.4Confident74 Ų7459 Ų5940%0.39631%0.31SS..  trans-122.2-11.9177.968.6-18.6000112.7Q231Q231-D277 PolarHBondContact NE2-O 2.74Å
278N83.4Confident85.1Confident36 Ų3664.6 Ų64.619%0.19334%0.34CS..SBendtrans-137148.7-177.565.358.9000111.5E280 V281 L282N278-E280 VanDerWaalsContact C-N 3.26Å; N278-E280 PolarHBondContact O-N 3.12Å; N278-V281 WeakPolarHBondContact ND2-CG2 3.35Å; N278-V281 PolarHBondContact O-N 3.31Å; N278-V281 WeakPolarHBondContact OD1-CA 3.3Å; N278-V281 WeakPolarHBondContact OD1-CB 3.39Å; N278-V281 WeakPolarHBondContact OD1-CG2 3.29Å; N278-V281 PolarHBondContact OD1-N 3.48Å; N278-L282 PolarHBondContact O-N 3.12Å
279P85.5Confident84.7Confident38 Ų3865.1 Ų65.125%0.24734%0.344CS..Hα-helixtrans-66.7-28.3-173.725.2-32.6000112.3V229 L245 L282 Q283V229-P279 HydrophobicContact CG2-CB 4.11Å; L245-P279 HydrophobicContact CD2-CB 4.21Å; P279-L282 PolarHBondContact O-N 2.83Å; P279-Q283 WeakPolarHBondContact O-CB 3.08Å; P279-Q283 PolarHBondContact O-N 2.83Å
280E86.2Confident84.6Confident111 Ų11165 Ų6552%0.51936%0.356SS..Hα-helixtrans-68.2-39.5179.7-61.175.6-162.900112.3N278 K284N278-E280 VanDerWaalsContact C-N 3.26Å; N278-E280 PolarHBondContact O-N 3.12Å; E280-K284 WeakPolarHBondContact O-CB 3.5Å; E280-K284 VanDerWaalsContact O-CG 3.29Å; E280-K284 WeakPolarHBondContact O-CG 3.19Å; E280-K284 PolarHBondContact O-N 2.77Å
281V87Confident84.4Confident45 Ų4563.3 Ų63.327%0.27335%0.354SS..Hα-helixtrans-68.5-44.6175.2171.30000109.5V276 N278 Q283 K284 V285V276-V281 HydrophobicContact CG1-CG1 4.15Å; N278-V281 WeakPolarHBondContact ND2-CG2 3.35Å; N278-V281 PolarHBondContact O-N 3.31Å; N278-V281 WeakPolarHBondContact OD1-CA 3.3Å; N278-V281 WeakPolarHBondContact OD1-CB 3.39Å; N278-V281 WeakPolarHBondContact OD1-CG2 3.29Å; N278-V281 PolarHBondContact OD1-N 3.48Å; V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 3.5Å; V281-K284 PolarHBondContact O-N 3.14Å; V281-V285 HydrophobicContact CG1-CG2 4.27Å; V281-V285 VanDerWaalsContact O-CG2 3.3Å; V281-V285 WeakPolarHBondContact O-CG2 3.34Å; V281-V285 PolarHBondContact O-N 3.32Å
282L87.4Confident84.3Confident6 Ų668.1 Ų68.13%0.03138%0.38CS..Hα-helixtrans-57.9-45.7175.2-178.565.8000111.1V229 L245 I268 A271 V276 N278 P279 K284 V285 L286V229-L282 HydrophobicContact CB-CD2 4.49Å; V229-L282 HydrophobicContact CG1-CD2 3.95Å; V229-L282 HydrophobicContact CG2-CD2 3.88Å; L245-L282 HydrophobicContact CD1-CB 4.4Å; I268-L282 HydrophobicContact CD1-CD2 3.97Å; I268-L282 HydrophobicContact CG2-CD1 4.46Å; A271-L282 HydrophobicContact CB-CD1 3.85Å; V276-L282 HydrophobicContact CB-CB 4.47Å; V276-L282 HydrophobicContact CG1-CB 4.34Å; V276-L282 HydrophobicContact CG1-CD1 4.18Å; V276-L282 HydrophobicContact CG2-CD1 4.34Å; N278-L282 PolarHBondContact O-N 3.12Å; P279-L282 PolarHBondContact O-N 2.83Å; L282-K284 PolarHBondContact O-N 2.89Å; L282-V285 PolarHBondContact O-N 3.34Å; L282-L286 HydrophobicContact CD1-CD1 3.82Å; L282-L286 HydrophobicContact CD1-CG 4.01Å; L282-L286 HydrophobicContact CD2-CD1 4.44Å; L282-L286 HydrophobicContact CG-CD1 3.83Å; L282-L286 HydrophobicContact CG-CG 4.32Å; L282-L286 WeakPolarHBondContact O-CB 3.14Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 3.03Å
283Q86.8Confident84.3Confident141 Ų14165 Ų6566%0.65936%0.363SS*.Hα-helixtrans-63.1-41.6178.5-167.5179.620.300111.9P279 V281 K287P279-Q283 WeakPolarHBondContact O-CB 3.08Å; P279-Q283 PolarHBondContact O-N 2.83Å; V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 3.5Å; Q283-K287 WeakPolarHBondContact O-CB 3.26Å; Q283-K287 PolarHBondContact O-N 2.83Å
284K85.8Confident84.6Confident145 Ų14564.6 Ų64.663%0.6335%0.35SS*.Hα-helixtrans-63.1-44.6175.7-76.6173.7-176.3177.20112.2E280 V281 L282 N288E280-K284 WeakPolarHBondContact O-CB 3.5Å; E280-K284 VanDerWaalsContact O-CG 3.29Å; E280-K284 WeakPolarHBondContact O-CG 3.19Å; E280-K284 PolarHBondContact O-N 2.77Å; V281-K284 PolarHBondContact O-N 3.14Å; L282-K284 PolarHBondContact O-N 2.89Å; K284-N288 PolarHBondContact O-N 3.33Å
285V87Confident84.7Confident28 Ų2861.6 Ų61.617%0.1733%0.331CS..Hα-helixtrans-63.8-46.5179173.40000110.6A271 V274 V281 L282 A289A271-V285 HydrophobicContact CB-CG1 3.95Å; V274-V285 HydrophobicContact CB-CG2 4.27Å; V274-V285 HydrophobicContact CG1-CG2 4.19Å; V281-V285 HydrophobicContact CG1-CG2 4.27Å; V281-V285 VanDerWaalsContact O-CG2 3.3Å; V281-V285 WeakPolarHBondContact O-CG2 3.34Å; V281-V285 PolarHBondContact O-N 3.32Å; L282-V285 PolarHBondContact O-N 3.34Å; V285-A289 WeakPolarHBondContact O-CB 3.48Å; V285-A289 PolarHBondContact O-N 2.97Å
286L86Confident84.8Confident21 Ų2160 Ų6011%0.1132%0.315CS..Hα-helixtrans-73-31.4-178.7-66.8-179.9000113.4K219 L225 L282 N288 A289 V293K219-L286 WeakPolarHBondContact CE-O 3.45Å; K219-L286 PolarHBondContact NZ-O 3.26Å; L225-L286 HydrophobicContact CD1-CD1 3.92Å; L225-L286 HydrophobicContact CD1-CD2 3.92Å; L282-L286 HydrophobicContact CD1-CD1 3.82Å; L282-L286 HydrophobicContact CD1-CG 4.01Å; L282-L286 HydrophobicContact CD2-CD1 4.44Å; L282-L286 HydrophobicContact CG-CD1 3.83Å; L282-L286 HydrophobicContact CG-CG 4.32Å; L282-L286 WeakPolarHBondContact O-CB 3.14Å; L282-L286 VanDerWaalsContact O-CG 3.3Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 3.03Å; L286-N288 VanDerWaalsContact C-N 3.32Å; L286-N288 PolarHBondContact O-N 3.15Å; L286-A289 PolarHBondContact O-N 2.94Å; L286-V293 HydrophobicContact CD2-CG1 3.56Å
287K84.3Confident85Confident153 Ų15359.6 Ų59.667%0.66531%0.312SS*.Hα-helixtrans-64.6-38.4177.6-172.9175.4-176.9179.50111.8Q283Q283-K287 WeakPolarHBondContact O-CB 3.26Å; Q283-K287 PolarHBondContact O-N 2.83Å
288N78.6Confident85.1Confident133 Ų13358.1 Ų58.171%0.71130%0.304SS*.Hα-helixtrans-86.6-11.8179.4-65-14.1000113.2K284 L286K284-N288 PolarHBondContact O-N 3.33Å; L286-N288 VanDerWaalsContact C-N 3.32Å; L286-N288 PolarHBondContact O-N 3.15Å
289A80Confident84.6Confident11 Ų1159 Ų599%0.09131%0.311CS..  trans-82.5130.2179.500000111.7K219 V285 L286 V293K219-A289 PolarHBondContact NZ-O 2.91Å; K219-A289 VanDerWaalsContact NZ-O 3.13Å; V285-A289 WeakPolarHBondContact O-CB 3.48Å; V285-A289 PolarHBondContact O-N 2.97Å; L286-A289 PolarHBondContact O-N 2.94Å; A289-V293 HydrophobicContact CB-CG2 3.89Å
290S81.2Confident83.5Confident79 Ų7958.2 Ų58.255%0.55231%0.311SS*.  trans-131.8139.6169.859.50000109.4
291G83.7Confident81.7Confident21 Ų2164.3 Ų64.322%0.21633%0.33CS..EExtended strand (participates in β ladder)trans95.3-140.5-175.500000112.2K219 V293K219-G291 PolarHBondContact N-O 3.32Å; K219-G291 PolarHBondContact O-N 2.85Å; G291-V293 PolarHBondContact O-N 3.42Å
292N85.8Confident79.7Confident101 Ų10168.5 Ų68.554%0.5435%0.347SS..EExtended strand (participates in β ladder)trans-79.1109.5-177.1-172.819.5000111
293V86.7Confident77.2Confident0 Ų073.8 Ų73.80%039%0.385CS..EExtended strand (participates in β ladder)trans-92.4124.9174.7179.90000109G216 I217 K219 N272 L286 A289 G291 L295G216-V293 CarbonylContact C-O 3.6Å; G216-V293 WeakPolarHBondContact CA-O 3.29Å; I217-V293 PolarHBondContact N-O 2.98Å; I217-V293 PolarHBondContact O-N 2.93Å; K219-V293 HydrophobicContact CB-CG2 3.8Å; K219-V293 HydrophobicContact CD-CG2 3.85Å; K219-V293 HydrophobicContact CG-CG2 4.5Å; N272-V293 WeakPolarHBondContact OD1-CA 3.33Å; L286-V293 HydrophobicContact CD2-CG1 3.56Å; A289-V293 HydrophobicContact CB-CG2 3.89Å; G291-V293 PolarHBondContact O-N 3.42Å; V293-L295 HydrophobicContact CG1-CD2 4.36Å; V293-L295 HydrophobicContact CG1-CG 4.46Å
294T88.1Confident74.7Confident45 Ų4571.7 Ų71.728%0.27638%0.381SS..EExtended strand (participates in β ladder)trans-100.6129.8176.755.40000110.7I215 A271 N272I215-T294 CarbonylContact O-C 3.59Å; I215-T294 VanDerWaalsContact O-CA 3.28Å; I215-T294 WeakPolarHBondContact O-CA 3.43Å; A271-T294 CarbonylContact C-O 3.46Å; A271-T294 WeakPolarHBondContact CA-O 3.35Å; N272-T294 WeakPolarHBondContact CA-OG1 3.48Å; N272-T294 PolarHBondContact N-O 3.04Å; N272-T294 PolarHBondContact OD1-N 3.43Å; N272-T294 PolarHBondContact OD1-OG1 3.36Å
295L88.2Confident72.4Confident0 Ų070.4 Ų70.40%039%0.388CS..EExtended strand (participates in β ladder)trans-120.8130.6176-63.6177.7000109.7M214 I215 I217 L225 L262 I268 E270 A271 V293 I297M214-L295 WeakPolarHBondContact CA-O 3.34Å; I215-L295 PolarHBondContact N-O 2.66Å; I215-L295 PolarHBondContact O-N 3.14Å; I217-L295 HydrophobicContact CD1-CD1 3.85Å; L225-L295 HydrophobicContact CD1-CD1 4.43Å; L262-L295 HydrophobicContact CD1-CD1 3.88Å; I268-L295 HydrophobicContact CG2-CD2 4.23Å; E270-L295 WeakPolarHBondContact O-CA 3.17Å; A271-L295 HydrophobicContact CB-CD2 3.6Å; V293-L295 HydrophobicContact CG1-CD2 4.36Å; V293-L295 HydrophobicContact CG1-CG 4.46Å; L295-I297 HydrophobicContact CB-CG2 4.19Å
296K85.9Confident69.8Low63 Ų6377.2 Ų77.227%0.27442%0.422SS..EExtended strand (participates in β ladder)trans-99.8113.5171.3-169.1174.5-178.8-177.60108.3V212 M214 R269 E270V212-K296 HydrophobicContact CG1-CD 3.95Å; V212-K296 HydrophobicContact CG1-CG 3.19Å; M214-K296 HydrophobicContact CE-CB 4.48Å; M214-K296 HydrophobicContact SD-CB 3.46Å; M214-K296 WeakPolarHBondContact SD-CB 3.45Å; M214-K296 HydrophobicContact SD-CD 3.92Å; M214-K296 HydrophobicContact SD-CG 3.46Å; M214-K296 WeakPolarHBondContact SD-CG 3.35Å; R269-K296 PolarHBondContact N-O 3.27Å; E270-K296 HydrophobicContact CB-CB 3.81Å; E270-K296 HydrophobicContact CB-CD 4.29Å; E270-K296 HydrophobicContact CG-CB 4.43Å; E270-K296 HydrophobicContact CG-CD 4.07Å; E270-K296 PolarHBondContact N-O 2.83Å; E270-K296 PolarHBondContact O-N 3.28Å; E270-K296 WeakPolarHBondContact OE1-CD 3.38Å; E270-K296 IonicContact OE1-NZ 2.77Å; E270-K296 PolarHBondContact OE1-NZ 3.18Å; E270-K296 VanDerWaalsContact OE2-CD 3.26Å; E270-K296 WeakPolarHBondContact OE2-CD 3.22Å; E270-K296 IonicContact OE2-NZ 3.53Å
297I87.8Confident67.7Low0 Ų080.5 Ų80.50%045%0.446CS..EExtended strand (participates in β ladder)trans-121.9157.5-173.967.7149.5000112.6V212 K213 I215 L262 D266 V267 I268 L295 P299V212-I297 CarbonylContact C-O 3.54Å; V212-I297 WeakPolarHBondContact CA-O 3.47Å; K213-I297 HydrophobicContact CB-CD1 4.41Å; K213-I297 HydrophobicContact CB-CG1 3.95Å; K213-I297 HydrophobicContact CD-CD1 4.42Å; K213-I297 PolarHBondContact N-O 2.96Å; K213-I297 WeakPolarHBondContact O-CG1 3.4Å; K213-I297 PolarHBondContact O-N 2.83Å; I215-I297 HydrophobicContact CD1-CD1 3.42Å; I215-I297 VanDerWaalsContact CD1-CD1 3.42Å; I215-I297 HydrophobicContact CD1-CG1 3.67Å; I215-I297 HydrophobicContact CD1-CG2 4.48Å; I215-I297 HydrophobicContact CG1-CG1 4.41Å; L262-I297 HydrophobicContact CD2-CD1 3.94Å; L262-I297 HydrophobicContact CD2-CG2 3.81Å; D266-I297 HydrophobicContact CB-CD1 4Å; D266-I297 WeakPolarHBondContact OD2-CD1 3.46Å; V267-I297 CarbonylContact O-C 3.48Å; V267-I297 WeakPolarHBondContact O-CA 3.45Å; I268-I297 HydrophobicContact CG1-CG2 4.23Å; L295-I297 HydrophobicContact CB-CG2 4.19Å; I297-P299 HydrophobicContact CD1-CG 4.44Å
298I81.2Confident66.3Low44 Ų4478.1 Ų78.123%0.22645%0.449CS..EExtended strand (participates in β ladder)trans-106114.2163-55173.6000106.1D266 V267 R269 G300D266-I298 WeakPolarHBondContact CA-O 3.36Å; V267-I298 HydrophobicContact CB-CB 4.18Å; V267-I298 PolarHBondContact N-O 3.15Å; V267-I298 PolarHBondContact O-N 2.82Å; R269-I298 HydrophobicContact CG-CD1 4.06Å; R269-I298 HydrophobicContact CG-CG1 4.2Å; I298-G300 PolarHBondContact O-N 2.64Å
299P74.1Confident65.9Low54 Ų5478 Ų7835%0.35144%0.444SS..  trans-59.5131.8-178.5-24.434.2000112.6A211 K213 D266 I297A211-P299 WeakPolarHBondContact O-CD 3.16Å; K213-P299 HydrophobicContact CB-CG 4.07Å; K213-P299 HydrophobicContact CD-CG 4.48Å; D266-P299 VanDerWaalsContact OD1-CA 3.3Å; D266-P299 WeakPolarHBondContact OD1-CA 3.27Å; I297-P299 HydrophobicContact CD1-CG 4.44Å
300G61.8Low66.2Low22 Ų2279 Ų7923%0.22745%0.448CS..  trans-81.4128172.400000110.4G265 D266 I298 Q302G265-G300 WeakPolarHBondContact O-CA 3.21Å; D266-G300 PolarHBondContact OD1-N 3.2Å; I298-G300 PolarHBondContact O-N 2.64Å; G300-Q302 VanDerWaalsContact C-N 3.27Å; G300-Q302 PolarHBondContact O-N 3.29Å
301Y48Very low66.7Low239 Ų23976.8 Ų76.894%0.93743%0.428SS*.  trans-73.479.4174.1-73.4-90.3000110.5
302Q45.4Very low67.2Low133 Ų13376.3 Ų76.362%0.62142%0.421SS*.  trans-133.5110.9162.7-68.5-169.50.800109.2G300 T304G300-Q302 VanDerWaalsContact C-N 3.27Å; G300-Q302 PolarHBondContact O-N 3.29Å; Q302-T304 PolarHBondContact O-N 3.12Å
303S35.1Very low67.5Low117 Ų11773 Ų7382%0.81840%0.401SS*.PPolyproline II helixtrans-62.2124.2174.850.20000110.9
304T33.5Very low67.8Low96 Ų9673 Ų7359%0.58940%0.401SS*.PPolyproline II helixtrans-68.8125.4173.736.90000110.9Q302Q302-T304 PolarHBondContact O-N 3.12Å
305P38.2Very low67.8Low119 Ų11972 Ų7277%0.77339%0.393SS*.PPolyproline II helixtrans-75.7137.317228.3-30.1000110.7S307P305-S307 PolarHBondContact O-N 3.31Å; P305-S307 VanDerWaalsContact O-N 3.15Å
306I31.9Very low67.7Low171 Ų17173.1 Ų73.188%0.87740%0.398SS*.  trans-54.2115.4177.4-61.3163.3000109.2S308I306-S308 PolarHBondContact O-N 3.08Å
307S42Very low67.9Low90 Ų9074 Ų7463%0.62941%0.412SS*.  trans-6496.4-179160.70000111.5P305 Q309P305-S307 PolarHBondContact O-N 3.31Å; P305-S307 VanDerWaalsContact O-N 3.15Å; S307-Q309 PolarHBondContact O-N 3.32Å
308S54.9Low68.1Low103 Ų10374.7 Ų74.772%0.7241%0.414SS*.  trans-65.9116.2160.155.20000108.6I306 L310I306-S308 PolarHBondContact O-N 3.08Å; S308-L310 PolarHBondContact O-N 2.81Å; S308-L310 VanDerWaalsContact O-N 3.08Å
309Q70.5Confident68.7Low131 Ų13174.4 Ų74.461%0.61241%0.413SS*.  trans-66.3110.2178.8-62.8-176.92.300109.7S307 F311S307-Q309 PolarHBondContact O-N 3.32Å; Q309-F311 HydrophobicContact CB-CE2 3.8Å; Q309-F311 HydrophobicContact CB-CZ 4.4Å
310L87.2Confident69.5Low32 Ų3272 Ų7217%0.16840%0.398CS..EExtended strand (participates in β ladder)trans-97.6123.2177.517866.8000109.7S308 L312 V343 E427S308-L310 PolarHBondContact O-N 2.81Å; S308-L310 VanDerWaalsContact O-N 3.08Å; L310-L312 HydrophobicContact CD1-CD2 4.07Å; L310-L312 HydrophobicContact CD2-CD2 4.28Å; L310-L312 HydrophobicContact CD2-CG 4.44Å; L310-L312 HydrophobicContact CG-CD2 4.08Å; L310-L312 HydrophobicContact CG-CG 4.29Å; L310-V343 HydrophobicContact CB-CB 4.25Å; L310-V343 HydrophobicContact CD2-CB 4.04Å; L310-V343 HydrophobicContact CD2-CG1 4.31Å; L310-V343 HydrophobicContact CD2-CG2 4.34Å; L310-V343 HydrophobicContact CG-CB 4.27Å; L310-V343 PolarHBondContact O-N 3.08Å; L310-E427 HydrophobicContact CD1-CG 3.62Å
311F91.7Very high70.9Confident32 Ų3278.3 Ų78.314%0.1442%0.419CS..EExtended strand (participates in β ladder)trans-111.8129.8174.4-64.7-87000110.1Q309 I340 L341 Q342 H357 E427 V428 W631Q309-F311 HydrophobicContact CB-CE2 3.8Å; Q309-F311 HydrophobicContact CB-CZ 4.4Å; F311-I340 HydrophobicContact CB-CG2 4.43Å; F311-I340 HydrophobicContact CD1-CG2 4.41Å; F311-L341 CarbonylContact C-O 3.59Å; F311-L341 WeakPolarHBondContact CA-O 3.16Å; F311-Q342 HydrophobicContact CD1-CB 3.84Å; F311-Q342 HydrophobicContact CD1-CG 4.05Å; F311-Q342 HydrophobicContact CE1-CB 3.63Å; F311-Q342 HydrophobicContact CE1-CG 3.6Å; F311-Q342 HydrophobicContact CZ-CG 3.99Å; F311-H357 AromaticContact CE1-ND1 3.76Å; F311-E427 WeakPolarHBondContact O-CA 3.37Å; F311-V428 HydrophobicContact CB-CG2 4.09Å; F311-V428 WeakPolarHBondContact CB-O 3.37Å; F311-V428 PolarHBondContact O-N 2.93Å; F311-W631 HydrophobicContact CB-CH2 4.09Å; F311-W631 HydrophobicContact CB-CZ3 3.77Å; F311-W631 AromaticContact CD1-CH2 3.81Å; F311-W631 HydrophobicContact CD1-CH2 3.81Å; F311-W631 HydrophobicContact CD1-CZ3 4.38Å; F311-W631 HydrophobicContact CD2-CH2 4.28Å; F311-W631 HydrophobicContact CD2-CZ3 4.37Å; F311-W631 HydrophobicContact CE1-CH2 4.3Å; F311-W631 AromaticContact CG-CH2 3.8Å; F311-W631 HydrophobicContact CG-CH2 3.8Å; F311-W631 AromaticContact CG-CZ3 3.93Å; F311-W631 HydrophobicContact CG-CZ3 3.93Å
312L92.5Very high72.9Confident11 Ų1173.1 Ų73.16%0.05841%0.408CS..EExtended strand (participates in β ladder)trans-120.4137.1-179.9-60.3-176000110.3L310 I340 L341 V343 W352 Y425 E426 E427L310-L312 HydrophobicContact CD1-CD2 4.07Å; L310-L312 HydrophobicContact CD2-CD2 4.28Å; L310-L312 HydrophobicContact CD2-CG 4.44Å; L310-L312 HydrophobicContact CG-CD2 4.08Å; L310-L312 HydrophobicContact CG-CG 4.29Å; L312-I340 CarbonylContact O-C 3.56Å; L312-I340 WeakPolarHBondContact O-CA 3.42Å; L312-L341 PolarHBondContact N-O 3.25Å; L312-L341 PolarHBondContact O-N 2.95Å; L312-V343 HydrophobicContact CB-CG2 4.45Å; L312-V343 HydrophobicContact CD1-CG2 3.44Å; L312-V343 VanDerWaalsContact CD1-CG2 3.44Å; L312-V343 HydrophobicContact CG-CG2 3.73Å; L312-W352 HydrophobicContact CD1-CE3 4.23Å; L312-W352 HydrophobicContact CD1-CZ3 3.76Å; L312-Y425 HydrophobicContact CB-CD1 4.35Å; L312-Y425 HydrophobicContact CD1-CD1 4.37Å; L312-Y425 HydrophobicContact CD1-CG 4.16Å; L312-E426 CarbonylContact C-O 3.45Å; L312-E426 VanDerWaalsContact CA-O 3.3Å; L312-E426 WeakPolarHBondContact CA-O 3.33Å; L312-E427 HydrophobicContact CD2-CB 4.04Å; L312-E427 HydrophobicContact CD2-CG 4.43Å
313R93Very high74.9Confident32 Ų3267.4 Ų67.412%0.12138%0.382CS..EExtended strand (participates in β ladder)trans-90.5123.6164.7-173.7179.2-55.5-176.88.1108.8S339 I340 Y425 E426 V428 D603 W631R313-S339 WeakPolarHBondContact CA-O 3.11Å; R313-I340 HydrophobicContact CB-CD1 3.77Å; R313-I340 HydrophobicContact CG-CD1 3.79Å; R313-Y425 WeakPolarHBondContact O-CA 3.19Å; R313-E426 PolarHBondContact N-O 2.86Å; R313-E426 PolarHBondContact O-N 2.87Å; R313-V428 HydrophobicContact CB-CG1 3.78Å; R313-V428 HydrophobicContact CB-CG2 4.38Å; R313-D603 IonicContact NH1-OD1 2.69Å; R313-D603 PolarHBondContact NH1-OD1 2.85Å; R313-W631 PolarHBondContact NH2-O 2.88Å
314A92.5Very high77.4Confident0 Ų068.7 Ų68.70%038%0.379CS..EExtended strand (participates in β ladder)trans-80.6128.7175.500000110.7F335 A337 G338 S339 L341 Y425A314-F335 HydrophobicContact CB-CD2 3.54Å; A314-F335 HydrophobicContact CB-CE2 3.54Å; A314-F335 HydrophobicContact CB-CG 4.5Å; A314-F335 HydrophobicContact CB-CZ 4.47Å; A314-A337 CarbonylContact O-C 3.56Å; A314-G338 PolarHBondContact O-N 3.5Å; A314-S339 PolarHBondContact N-O 2.87Å; A314-L341 HydrophobicContact CB-CD1 4.18Å; A314-Y425 HydrophobicContact CB-CD1 4.1Å; A314-Y425 HydrophobicContact CB-CE1 3.91Å
315H88.2Confident79.9Confident24 Ų2469 Ų6911%0.11138%0.377CS..SBendtrans-100.614.7177.6-69.8-58.3000113.3V423 L424 E426 R543 Y600H315-V423 VanDerWaalsContact CB-O 3.27Å; H315-V423 WeakPolarHBondContact CB-O 3.31Å; H315-V423 VanDerWaalsContact CD2-CG1 3.47Å; H315-V423 WeakPolarHBondContact CD2-CG1 3.33Å; H315-L424 PolarHBondContact N-O 3.45Å; H315-E426 WeakPolarHBondContact NE2-CB 3.48Å; H315-E426 IonicContact NE2-OE2 2.75Å; H315-R543 PolarHBondContact NE2-NH2 2.65Å; H315-Y600 PolarHBondContact CE1-O 2.98Å; H315-Y600 WeakPolarHBondContact ND1-CB 3.46Å; H315-Y600 PolarHBondContact ND1-O 3.46Å
316F87.3Confident82.3Confident23 Ų2364 Ų6410%0.10134%0.343CS..SBendtrans-145.4162174.267.6-77.7000109.7F335 A337 P367 Q372 L424 Y425F316-F335 HydrophobicContact CD2-CE2 4.29Å; F316-F335 HydrophobicContact CE1-CE2 4.36Å; F316-F335 HydrophobicContact CE1-CZ 4.39Å; F316-F335 AromaticContact CE2-CE2 4Å; F316-F335 HydrophobicContact CE2-CE2 4Å; F316-F335 AromaticContact CE2-CZ 3.85Å; F316-F335 HydrophobicContact CE2-CZ 3.85Å; F316-F335 HydrophobicContact CZ-CE2 4.04Å; F316-F335 AromaticContact CZ-CZ 3.75Å; F316-F335 HydrophobicContact CZ-CZ 3.75Å; F316-F335 WeakPolarHBondContact O-CD2 3.44Å; F316-F335 VanDerWaalsContact O-CE2 3.26Å; F316-F335 WeakPolarHBondContact O-CE2 3.5Å; F316-A337 PolarHBondContact O-N 3.16Å; F316-P367 HydrophobicContact CE2-CG 4.23Å; F316-P367 HydrophobicContact CZ-CG 4.03Å; F316-Q372 HydrophobicContact CE1-CG 4.21Å; F316-Q372 HydrophobicContact CE2-CG 4.21Å; F316-Q372 HydrophobicContact CZ-CG 3.87Å; F316-L424 HydrophobicContact CD1-CB 4.32Å; F316-L424 HydrophobicContact CD1-CD2 4.07Å; F316-L424 WeakPolarHBondContact CD1-O 3.37Å; F316-L424 HydrophobicContact CE1-CB 4.06Å; F316-L424 HydrophobicContact CE1-CD2 4.26Å; F316-Y425 HydrophobicContact CE1-CD2 4.4Å; F316-Y425 AromaticContact CE1-CE1 3.95Å; F316-Y425 HydrophobicContact CE1-CE1 3.95Å; F316-Y425 AromaticContact CE1-CE2 3.83Å; F316-Y425 HydrophobicContact CE1-CE2 3.83Å; F316-Y425 AromaticContact CE1-CZ 3.6Å; F316-Y425 HydrophobicContact CZ-CE1 4.33Å; F316-Y425 HydrophobicContact CZ-CE2 4.04Å; F316-Y425 AromaticContact CZ-CZ 3.66Å; F316-Y425 WeakPolarHBondContact CZ-OH 3.39Å
317S89.8Confident84.8Confident82 Ų8260.4 Ų60.457%0.57333%0.331SS*.  trans-93.8140.9173.9-58.20000110.4F335 A337S317-F335 WeakPolarHBondContact CA-O 3.24Å; S317-A337 PolarHBondContact OG-N 2.68Å
318Y91.6Very high86.8Confident13 Ų1358.9 Ų58.95%0.05132%0.32CS..BIsolated β-bridgetrans-131.8123.2-179.4175.9-119.6000110.5P320 D323 L333 K334 F335 W351 P367Y318-P320 HydrophobicContact CD1-CG 4.28Å; Y318-P320 HydrophobicContact CE1-CB 4.36Å; Y318-P320 HydrophobicContact CE1-CG 3.69Å; Y318-D323 HydrophobicContact CE2-CB 3.97Å; Y318-D323 WeakPolarHBondContact CE2-OD2 3.47Å; Y318-D323 PolarHBondContact OH-OD2 2.89Å; Y318-L333 VanDerWaalsContact CD1-O 3.29Å; Y318-L333 WeakPolarHBondContact CD1-O 3.4Å; Y318-K334 WeakPolarHBondContact O-CA 3.47Å; Y318-F335 VanDerWaalsContact CB-CE1 3.48Å; Y318-F335 HydrophobicContact CD1-CD1 4Å; Y318-F335 AromaticContact CD1-CE1 3.47Å; Y318-F335 HydrophobicContact CD1-CE1 3.47Å; Y318-F335 VanDerWaalsContact CD1-CE1 3.47Å; Y318-F335 HydrophobicContact CD1-CZ 4.04Å; Y318-F335 HydrophobicContact CG-CD1 4.48Å; Y318-F335 AromaticContact CG-CE1 3.83Å; Y318-F335 HydrophobicContact CG-CE1 3.83Å; Y318-F335 AromaticContact CG-CZ 3.91Å; Y318-F335 HydrophobicContact CG-CZ 3.91Å; Y318-F335 PolarHBondContact N-O 3.19Å; Y318-F335 PolarHBondContact O-N 3.28Å; Y318-F335 VanDerWaalsContact O-N 3.12Å; Y318-W351 WeakPolarHBondContact OH-CH2 3.4Å; Y318-W351 VanDerWaalsContact OH-CZ3 3.3Å; Y318-W351 WeakPolarHBondContact OH-CZ3 3.2Å; Y318-P367 HydrophobicContact CD1-CG 4.42Å; Y318-P367 HydrophobicContact CD2-CG 4.16Å; Y318-P367 HydrophobicContact CE2-CG 4.31Å; Y318-P367 HydrophobicContact CG-CG 4.24Å
319D93.2Very high88.4Confident38 Ų3858.9 Ų58.920%0.20331%0.307CS..  trans-115.5110171.2-162.5-32.4000110K321 N322 K334D319-K321 PolarHBondContact O-N 3.2Å; D319-K321 VanDerWaalsContact O-N 3.12Å; D319-K321 VanDerWaalsContact OD1-CB 3.32Å; D319-K321 WeakPolarHBondContact OD1-CB 3.37Å; D319-K321 WeakPolarHBondContact OD1-CG 3.3Å; D319-K321 PolarHBondContact OD1-N 3.44Å; D319-N322 PolarHBondContact O-N 2.8Å; D319-N322 VanDerWaalsContact O-N 3.15Å; D319-K334 WeakPolarHBondContact OD2-CE 3.28Å; D319-K334 IonicContact OD2-NZ 3.99Å; D319-K334 PolarHBondContact OD2-NZ 2.92Å
320P91.6Very high89.2Confident5 Ų561.5 Ų61.53%0.03232%0.319CS..G310 helixtrans-55.2-26176.4-24.130.6000114.5Y318 N322 D323 I326 G332 K334Y318-P320 HydrophobicContact CD1-CG 4.28Å; Y318-P320 HydrophobicContact CE1-CB 4.36Å; Y318-P320 HydrophobicContact CE1-CG 3.69Å; P320-N322 VanDerWaalsContact C-N 3.26Å; P320-N322 PolarHBondContact O-N 2.95Å; P320-D323 PolarHBondContact O-N 2.82Å; P320-I326 HydrophobicContact CB-CD1 4.02Å; P320-G332 VanDerWaalsContact CG-C 3.44Å; P320-K334 HydrophobicContact CG-CB 4.42Å
321K91.1Very high89.2Confident153 Ų15361.4 Ų61.467%0.66532%0.323SS*.G310 helixtrans-64.3-35.2-179.5-65.4-177.7178.2-174.80111.9D319 D323 K329D319-K321 PolarHBondContact O-N 3.2Å; D319-K321 VanDerWaalsContact O-N 3.12Å; D319-K321 VanDerWaalsContact OD1-CB 3.32Å; D319-K321 WeakPolarHBondContact OD1-CB 3.37Å; D319-K321 WeakPolarHBondContact OD1-CG 3.3Å; D319-K321 PolarHBondContact OD1-N 3.44Å; K321-D323 VanDerWaalsContact C-N 3.34Å; K321-K329 PolarHBondContact O-NZ 2.8Å
322N89.6Confident89.1Confident131 Ų13160.8 Ų60.870%0.70133%0.325SS*.G310 helixtrans-88.4-4.4-177.6-62.5-19.6000112.6D319 P320D319-N322 PolarHBondContact O-N 2.8Å; D319-N322 VanDerWaalsContact O-N 3.15Å; P320-N322 VanDerWaalsContact C-N 3.26Å; P320-N322 PolarHBondContact O-N 2.95Å
323D87.8Confident89.1Confident13 Ų1361.3 Ų61.37%0.0733%0.328CS..  trans-93.1119.5-177.5-158.9-27.9000111.3Y318 P320 K321 L325 I326 K329 W351 R375Y318-D323 HydrophobicContact CE2-CB 3.97Å; Y318-D323 WeakPolarHBondContact CE2-OD2 3.47Å; Y318-D323 PolarHBondContact OH-OD2 2.89Å; P320-D323 PolarHBondContact O-N 2.82Å; K321-D323 VanDerWaalsContact C-N 3.34Å; D323-L325 WeakPolarHBondContact OD1-CB 3.27Å; D323-L325 PolarHBondContact OD1-N 2.95Å; D323-I326 HydrophobicContact CB-CB 4.34Å; D323-I326 HydrophobicContact CB-CG2 4.19Å; D323-I326 WeakPolarHBondContact O-CG2 3.34Å; D323-K329 WeakPolarHBondContact O-CE 3.46Å; D323-W351 WeakPolarHBondContact OD2-CH2 3.14Å; D323-R375 IonicContact OD1-CZ 3.2Å; D323-R375 IonicContact OD1-NH2 3.76Å; D323-R375 PolarHBondContact OD1-NH2 3.41Å; D323-R375 IonicContact OD2-CZ 2.61Å; D323-R375 IonicContact OD2-NH1 3.15Å; D323-R375 PolarHBondContact OD2-NH1 3.03Å; D323-R375 IonicContact OD2-NH2 3.14Å; D323-R375 PolarHBondContact OD2-NH2 3.06Å
324N86.7Confident89.2Confident143 Ų14365.5 Ų65.577%0.76535%0.347SS*.SBendtrans-88.3-10.3176.7-66.1-29000112.9
325L87Confident89.2Confident104 Ų10465.8 Ų65.855%0.54535%0.348SS..SBendtrans-94.2-10.3-179.9-58.5179.3000112.7D323 W351 L371D323-L325 WeakPolarHBondContact OD1-CB 3.27Å; D323-L325 PolarHBondContact OD1-N 2.95Å; L325-W351 VanDerWaalsContact C-CZ2 3.49Å; L325-W351 HydrophobicContact CB-CZ2 4.22Å; L325-W351 VanDerWaalsContact O-CZ2 3.31Å; L325-W351 WeakPolarHBondContact O-CZ2 3.4Å; L325-L371 HydrophobicContact CD1-CD1 4.1Å
326I88.1Confident89.3Confident13 Ų1367.8 Ų67.87%0.06737%0.365CS..  trans-70130.5-179.8-166.5176.2000110.7P320 D323 C328 K329 W351 L365P320-I326 HydrophobicContact CB-CD1 4.02Å; D323-I326 HydrophobicContact CB-CB 4.34Å; D323-I326 HydrophobicContact CB-CG2 4.19Å; D323-I326 WeakPolarHBondContact O-CG2 3.34Å; I326-C328 VanDerWaalsContact C-N 3.26Å; I326-C328 WeakPolarHBondContact CD1-O 3.4Å; I326-C328 PolarHBondContact O-N 2.75Å; I326-K329 HydrophobicContact CG2-CB 4.34Å; I326-K329 HydrophobicContact CG2-CG 3.66Å; I326-W351 HydrophobicContact CB-CH2 3.56Å; I326-W351 HydrophobicContact CB-CZ2 3.86Å; I326-W351 HydrophobicContact CB-CZ3 4.15Å; I326-W351 HydrophobicContact CD1-CH2 4.47Å; I326-W351 HydrophobicContact CD1-CZ3 4.21Å; I326-W351 HydrophobicContact CG1-CE3 4.31Å; I326-W351 HydrophobicContact CG1-CH2 3.81Å; I326-W351 HydrophobicContact CG1-CZ2 4.2Å; I326-W351 HydrophobicContact CG1-CZ3 3.88Å; I326-L365 HydrophobicContact CD1-CB 4.43Å
327P84.3Confident89.3Confident95 Ų9568.5 Ų68.562%0.61738%0.375SS*.SBendtrans-60.1-35.8-178.3-26.134.2000113.5W351P327-W351 HydrophobicContact CG-CG 4.45Å
328C84.7Confident89.2Confident58 Ų5866.7 Ų66.739%0.39237%0.37SS..  trans-146.3116.7176179.10000108.7I326 E330 A331I326-C328 VanDerWaalsContact C-N 3.26Å; I326-C328 WeakPolarHBondContact CD1-O 3.4Å; I326-C328 PolarHBondContact O-N 2.75Å; C328-E330 PolarHBondContact O-N 3.36Å; C328-A331 HydrophobicContact CB-CB 3.96Å; C328-A331 PolarHBondContact O-N 2.81Å; C328-A331 VanDerWaalsContact O-N 3.08Å
329K87.8Confident89.1Confident104 Ų10467.3 Ų67.345%0.45238%0.376SS..G310 helixtrans-60-35.5-177.5-66.9-170.5175.5-164.40112.5K321 D323 I326 A331 G332K321-K329 PolarHBondContact O-NZ 2.8Å; D323-K329 WeakPolarHBondContact O-CE 3.46Å; I326-K329 HydrophobicContact CG2-CB 4.34Å; I326-K329 HydrophobicContact CG2-CG 3.66Å; K329-A331 VanDerWaalsContact C-N 3.29Å; K329-A331 PolarHBondContact O-N 2.96Å; K329-G332 PolarHBondContact O-N 2.74Å
330E86.8Confident89.1Confident185 Ų18566.7 Ų66.786%0.86437%0.372SS*.G310 helixtrans-69.4-26.4178.2-60.1-179.6176.200113C328 G332C328-E330 PolarHBondContact O-N 3.36Å; E330-G332 VanDerWaalsContact C-N 3.27Å
331A87.7Confident89.2Confident31 Ų3166.5 Ų66.526%0.25637%0.371SS..G310 helixtrans-81.4-6.8176.200000112.5C328 K329 G364 L365C328-A331 HydrophobicContact CB-CB 3.96Å; C328-A331 PolarHBondContact O-N 2.81Å; C328-A331 VanDerWaalsContact O-N 3.08Å; K329-A331 VanDerWaalsContact C-N 3.29Å; K329-A331 PolarHBondContact O-N 2.96Å; A331-G364 CarbonylContact O-C 3.57Å; A331-G364 WeakPolarHBondContact O-CA 3.46Å; A331-L365 HydrophobicContact CB-CD1 4.08Å; A331-L365 HydrophobicContact CB-CG 4.29Å; A331-L365 PolarHBondContact O-N 3.19Å
332G89.6Confident89.2Confident18 Ų1860 Ų6019%0.18634%0.343CS..BIsolated β-bridgetrans-76.8138.4-177.300000113.3P320 K329 E330 L365P320-G332 VanDerWaalsContact CG-C 3.44Å; K329-G332 PolarHBondContact O-N 2.74Å; E330-G332 VanDerWaalsContact C-N 3.27Å; G332-L365 WeakPolarHBondContact CA-O 3.36Å
333L92.9Very high89.2Confident23 Ų2354.2 Ų54.212%0.1231%0.312CS..  trans-90.8112.4172.3-174.568.6000109.7Y318 F335 L341 A354 L365 I366Y318-L333 VanDerWaalsContact CD1-O 3.29Å; Y318-L333 WeakPolarHBondContact CD1-O 3.4Å; L333-F335 WeakPolarHBondContact O-CD1 3.46Å; L333-L341 HydrophobicContact CD2-CD2 3.94Å; L333-A354 HydrophobicContact CD2-CB 4.37Å; L333-L365 PolarHBondContact N-O 3.37Å; L333-I366 HydrophobicContact CB-CG2 3.78Å; L333-I366 HydrophobicContact CD2-CG2 3.88Å; L333-I366 HydrophobicContact CG-CG2 4.32Å
334K94Very high89.1Confident120 Ų12055.9 Ų55.952%0.52232%0.321SS..  trans-72.6133.8171-179.4169.1178159.40110.3Y318 D319 P320 H356Y318-K334 WeakPolarHBondContact O-CA 3.47Å; D319-K334 WeakPolarHBondContact OD2-CE 3.28Å; D319-K334 IonicContact OD2-NZ 3.99Å; D319-K334 PolarHBondContact OD2-NZ 2.92Å; P320-K334 HydrophobicContact CG-CB 4.42Å; K334-H356 PolarHBondContact O-NE2 3.12Å
335F93.4Very high89Confident5 Ų551 Ų512%0.02229%0.293CS..BIsolated β-bridgetrans-146.3155.7174.160.7-98.9000111.7A314 F316 S317 Y318 L333 L341 I366 Y425A314-F335 HydrophobicContact CB-CD2 3.54Å; A314-F335 HydrophobicContact CB-CE2 3.54Å; A314-F335 HydrophobicContact CB-CG 4.5Å; A314-F335 HydrophobicContact CB-CZ 4.47Å; F316-F335 HydrophobicContact CD2-CE2 4.29Å; F316-F335 HydrophobicContact CE1-CE2 4.36Å; F316-F335 HydrophobicContact CE1-CZ 4.39Å; F316-F335 AromaticContact CE2-CE2 4Å; F316-F335 HydrophobicContact CE2-CE2 4Å; F316-F335 AromaticContact CE2-CZ 3.85Å; F316-F335 HydrophobicContact CE2-CZ 3.85Å; F316-F335 HydrophobicContact CZ-CE2 4.04Å; F316-F335 AromaticContact CZ-CZ 3.75Å; F316-F335 HydrophobicContact CZ-CZ 3.75Å; F316-F335 WeakPolarHBondContact O-CD2 3.44Å; F316-F335 VanDerWaalsContact O-CE2 3.26Å; F316-F335 WeakPolarHBondContact O-CE2 3.5Å; S317-F335 WeakPolarHBondContact CA-O 3.24Å; Y318-F335 VanDerWaalsContact CB-CE1 3.48Å; Y318-F335 HydrophobicContact CD1-CD1 4Å; Y318-F335 AromaticContact CD1-CE1 3.47Å; Y318-F335 HydrophobicContact CD1-CE1 3.47Å; Y318-F335 VanDerWaalsContact CD1-CE1 3.47Å; Y318-F335 HydrophobicContact CD1-CZ 4.04Å; Y318-F335 HydrophobicContact CG-CD1 4.48Å; Y318-F335 AromaticContact CG-CE1 3.83Å; Y318-F335 HydrophobicContact CG-CE1 3.83Å; Y318-F335 AromaticContact CG-CZ 3.91Å; Y318-F335 HydrophobicContact CG-CZ 3.91Å; Y318-F335 PolarHBondContact N-O 3.19Å; Y318-F335 PolarHBondContact O-N 3.28Å; Y318-F335 VanDerWaalsContact O-N 3.12Å; L333-F335 WeakPolarHBondContact O-CD1 3.46Å; F335-L341 HydrophobicContact CB-CD2 4.11Å; F335-L341 HydrophobicContact CD1-CD1 3.87Å; F335-L341 HydrophobicContact CD1-CD2 4.42Å; F335-L341 HydrophobicContact CD2-CD1 4.42Å; F335-L341 HydrophobicContact CE1-CD1 4.05Å; F335-L341 HydrophobicContact CG-CD1 4.08Å; F335-L341 HydrophobicContact CG-CD2 4.38Å; F335-L341 HydrophobicContact CZ-CD1 4.42Å; F335-I366 HydrophobicContact CD1-CG2 3.91Å; F335-I366 HydrophobicContact CE1-CB 3.94Å; F335-I366 HydrophobicContact CE1-CG2 3.64Å; F335-Y425 HydrophobicContact CE2-CE1 4.4Å; F335-Y425 HydrophobicContact CZ-CE1 4.1Å; F335-Y425 WeakPolarHBondContact CZ-OH 3.48Å
336S91.1Very high89Confident67 Ų6750.5 Ų50.547%0.46929%0.288SS..  trans-103.5159.7174.1-59.10000110.4G338 S339S336-G338 PolarHBondContact O-N 3.14Å; S336-S339 PolarHBondContact N-OG 3.48Å; S336-S339 VanDerWaalsContact N-OG 3.14Å; S336-S339 VanDerWaalsContact O-CB 3.28Å; S336-S339 WeakPolarHBondContact O-CB 3.32Å; S336-S339 PolarHBondContact O-N 2.86Å; S336-S339 PolarHBondContact O-OG 3.05Å
337A86.9Confident88.7Confident38 Ų3856 Ų5631%0.31431%0.314SS..THydrogen-bonded Turntrans-52.6137.2168.200000110.4A314 F316 S317A314-A337 CarbonylContact O-C 3.56Å; F316-A337 PolarHBondContact O-N 3.16Å; S317-A337 PolarHBondContact OG-N 2.68Å
338G86.5Confident88.7Confident44 Ų4453.1 Ų53.145%0.45429%0.293SS..THydrogen-bonded Turntrans90.4-14.2-17300000115.3A314 S336A314-G338 PolarHBondContact O-N 3.5Å; S336-G338 PolarHBondContact O-N 3.14Å
339S91.2Very high88.7Confident26 Ų2654 Ų5418%0.18230%0.298CS..  trans-63.7137.9-178.8-53.30000111.7R313 A314 S336R313-S339 WeakPolarHBondContact CA-O 3.11Å; A314-S339 PolarHBondContact N-O 2.87Å; S336-S339 PolarHBondContact N-OG 3.48Å; S336-S339 VanDerWaalsContact N-OG 3.14Å; S336-S339 VanDerWaalsContact O-CB 3.28Å; S336-S339 WeakPolarHBondContact O-CB 3.32Å; S336-S339 PolarHBondContact O-N 2.86Å; S336-S339 PolarHBondContact O-OG 3.05Å
340I91.8Very high88.7Confident25 Ų2553.3 Ų53.313%0.12829%0.293CS..EExtended strand (participates in β ladder)trans-93120173-50.3-54000109.3F311 L312 R313 H357 V428 W631F311-I340 HydrophobicContact CB-CG2 4.43Å; F311-I340 HydrophobicContact CD1-CG2 4.41Å; L312-I340 CarbonylContact O-C 3.56Å; L312-I340 WeakPolarHBondContact O-CA 3.42Å; R313-I340 HydrophobicContact CB-CD1 3.77Å; R313-I340 HydrophobicContact CG-CD1 3.79Å; I340-H357 HydrophobicContact CB-CB 3.99Å; I340-H357 HydrophobicContact CG2-CB 3.92Å; I340-H357 PolarHBondContact O-N 3.44Å; I340-V428 HydrophobicContact CD1-CG2 4.25Å; I340-V428 HydrophobicContact CG2-CG2 4.22Å; I340-W631 HydrophobicContact CD1-CG 4.24Å; I340-W631 HydrophobicContact CG1-CD2 4.29Å; I340-W631 HydrophobicContact CG1-CG 4.2Å; I340-W631 HydrophobicContact CG2-CD2 4.21Å; I340-W631 HydrophobicContact CG2-CE3 4.36Å; I340-W631 HydrophobicContact CG2-CH2 4.02Å; I340-W631 HydrophobicContact CG2-CZ2 3.88Å; I340-W631 HydrophobicContact CG2-CZ3 4.26Å
341L93.1Very high88.9Confident0 Ų045.3 Ų45.30%026%0.255CS..EExtended strand (participates in β ladder)trans-111.5124.9-176.4-56178.1000109.3F311 L312 A314 L333 F335 A354 R355 I366 Y425F311-L341 CarbonylContact C-O 3.59Å; F311-L341 WeakPolarHBondContact CA-O 3.16Å; L312-L341 PolarHBondContact N-O 3.25Å; L312-L341 PolarHBondContact O-N 2.95Å; A314-L341 HydrophobicContact CB-CD1 4.18Å; L333-L341 HydrophobicContact CD2-CD2 3.94Å; F335-L341 HydrophobicContact CB-CD2 4.11Å; F335-L341 HydrophobicContact CD1-CD1 3.87Å; F335-L341 HydrophobicContact CD1-CD2 4.42Å; F335-L341 HydrophobicContact CD2-CD1 4.42Å; F335-L341 HydrophobicContact CE1-CD1 4.05Å; F335-L341 HydrophobicContact CG-CD1 4.08Å; F335-L341 HydrophobicContact CG-CD2 4.38Å; F335-L341 HydrophobicContact CZ-CD1 4.42Å; L341-A354 HydrophobicContact CB-CB 4.46Å; L341-R355 CarbonylContact C-O 3.59Å; L341-R355 WeakPolarHBondContact CA-O 3.46Å; L341-I366 HydrophobicContact CD1-CD1 3.98Å; L341-I366 HydrophobicContact CD1-CG2 4.35Å; L341-Y425 HydrophobicContact CD1-CE1 3.94Å
342Q91.4Very high89.1Confident17 Ų1745 Ų458%0.07925%0.247CC..EExtended strand (participates in β ladder)trans-84.4112.6167.6-172.4-179.814.400108.5F311 L344 A354 R355F311-Q342 HydrophobicContact CD1-CB 3.84Å; F311-Q342 HydrophobicContact CD1-CG 4.05Å; F311-Q342 HydrophobicContact CE1-CB 3.63Å; F311-Q342 HydrophobicContact CE1-CG 3.6Å; F311-Q342 HydrophobicContact CZ-CG 3.99Å; Q342-L344 HydrophobicContact CG-CD2 4.03Å; Q342-A354 CarbonylContact O-C 3.57Å; Q342-A354 WeakPolarHBondContact O-CA 3.37Å; Q342-A354 WeakPolarHBondContact O-CB 3.5Å; Q342-R355 HydrophobicContact CB-CG 4.12Å; Q342-R355 PolarHBondContact N-O 3.5Å; Q342-R355 PolarHBondContact O-N 3.3Å; Q342-R355 VanDerWaalsContact OE1-CZ 3.26Å
343V90.1Very high89.2Confident9 Ų944.7 Ų44.76%0.05524%0.241CC..EExtended strand (participates in β ladder)trans-82.5123.7175.5-178.50000108.8L310 L312 Q346 A354 I366L310-V343 HydrophobicContact CB-CB 4.25Å; L310-V343 HydrophobicContact CD2-CB 4.04Å; L310-V343 HydrophobicContact CD2-CG1 4.31Å; L310-V343 HydrophobicContact CD2-CG2 4.34Å; L310-V343 HydrophobicContact CG-CB 4.27Å; L310-V343 PolarHBondContact O-N 3.08Å; L312-V343 HydrophobicContact CB-CG2 4.45Å; L312-V343 HydrophobicContact CD1-CG2 3.44Å; L312-V343 VanDerWaalsContact CD1-CG2 3.44Å; L312-V343 HydrophobicContact CG-CG2 3.73Å; V343-Q346 HydrophobicContact CG1-CG 3.51Å; V343-A354 HydrophobicContact CG2-CB 4.41Å; V343-I366 HydrophobicContact CG2-CD1 4.45Å
344L86.6Confident89.1Confident49 Ų4943.6 Ų43.626%0.25724%0.235SC..EExtended strand (participates in β ladder)trans-98.5-45.1-176.9-56.1175.2000110.7A252 Q342 Q353 R355 A363A252-L344 HydrophobicContact CB-CB 4.1Å; A252-L344 HydrophobicContact CB-CD1 3.62Å; Q342-L344 HydrophobicContact CG-CD2 4.03Å; L344-Q353 PolarHBondContact N-O 3.41Å; L344-R355 HydrophobicContact CD1-CG 4.28Å; L344-A363 HydrophobicContact CD1-CB 3.74Å
345K84.8Confident89Confident41 Ų4140.8 Ų40.818%0.17822%0.221CC..EExtended strand (participates in β ladder)trans-141.1134-179.9-58.9-176.4-175.4172.80111.2I250 E257 Q353I250-K345 PolarHBondContact O-NZ 3.41Å; E257-K345 WeakPolarHBondContact OE1-CE 3.35Å; E257-K345 IonicContact OE1-NZ 2.84Å; E257-K345 PolarHBondContact OE1-NZ 3.47Å; K345-Q353 HydrophobicContact CB-CB 4.19Å; K345-Q353 PolarHBondContact N-O 3.1Å; K345-Q353 PolarHBondContact O-N 2.92Å
346Q86.7Confident88.9Confident93 Ų9342 Ų4244%0.43523%0.227SC..  trans-113.715.1176.7-65.2-176.8-27.700113.1V343 D348 W352V343-Q346 HydrophobicContact CG1-CG 3.51Å; Q346-D348 VanDerWaalsContact C-N 3.27Å; Q346-D348 PolarHBondContact O-N 3.25Å; Q346-W352 HydrophobicContact CB-CG 4.49Å; Q346-W352 HydrophobicContact CG-CD2 4.15Å; Q346-W352 HydrophobicContact CG-CG 4.14Å
347E81.1Confident88.5Confident129 Ų12940.7 Ų40.760%0.60321%0.213SC*.  trans-58.8-35.4-173.9-64.6173.9-171.100113.7
348D84.9Confident87.9Confident34 Ų3445.5 Ų45.518%0.18223%0.234CC..SBendtrans-87.9122.7177.8-178.2-36.9000109.2R249 Q346 Y350 W351R249-D348 IonicContact NH2-OD2 2.74Å; R249-D348 PolarHBondContact NH2-OD2 3.47Å; Q346-D348 VanDerWaalsContact C-N 3.27Å; Q346-D348 PolarHBondContact O-N 3.25Å; D348-Y350 PolarHBondContact O-N 3.03Å; D348-Y350 VanDerWaalsContact O-N 3.14Å; D348-Y350 PolarHBondContact OD1-N 3.49Å; D348-W351 WeakPolarHBondContact CB-O 3.35Å; D348-W351 PolarHBondContact OD1-N 2.98Å; D348-W351 VanDerWaalsContact OD1-N 3.1Å
349P85Confident87.4Confident77 Ų7748.5 Ų48.550%0.524%0.236SC..SBendtrans-68.1-13.7-174.128.5-36.2000113.3S368P349-S368 WeakPolarHBondContact O-CB 3.21Å; P349-S368 PolarHBondContact O-OG 3.01Å
350Y87.6Confident86.2Confident88 Ų8854.6 Ų54.635%0.34527%0.266SS..SBendtrans-109.1-33.8-179.4-59.9-58.5000112.9D348 S368 V370 L371 R374D348-Y350 PolarHBondContact O-N 3.03Å; D348-Y350 VanDerWaalsContact O-N 3.14Å; D348-Y350 PolarHBondContact OD1-N 3.49Å; Y350-S368 VanDerWaalsContact C-OG 3.3Å; Y350-S368 VanDerWaalsContact CA-OG 3.24Å; Y350-S368 WeakPolarHBondContact CA-OG 3.47Å; Y350-S368 WeakPolarHBondContact O-CB 3.45Å; Y350-S368 PolarHBondContact O-N 3.35Å; Y350-S368 PolarHBondContact O-OG 3.34Å; Y350-V370 HydrophobicContact CE1-CG1 4.3Å; Y350-L371 HydrophobicContact CD1-CB 4.32Å; Y350-L371 HydrophobicContact CD1-CD1 4.4Å; Y350-L371 WeakPolarHBondContact O-CD2 3.37Å; Y350-R374 PolarHBondContact OH-NH1 3.03Å; Y350-R374 PolarHBondContact OH-NH2 3.26Å
351W90.7Very high85.1Confident17 Ų1755.1 Ų55.16%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-128.8107-172.6-66.8102.6000112.1Y318 D323 L325 I326 P327 D348 L365 I366 P367 L371Y318-W351 WeakPolarHBondContact OH-CH2 3.4Å; Y318-W351 VanDerWaalsContact OH-CZ3 3.3Å; Y318-W351 WeakPolarHBondContact OH-CZ3 3.2Å; D323-W351 WeakPolarHBondContact OD2-CH2 3.14Å; L325-W351 VanDerWaalsContact C-CZ2 3.49Å; L325-W351 HydrophobicContact CB-CZ2 4.22Å; L325-W351 VanDerWaalsContact O-CZ2 3.31Å; L325-W351 WeakPolarHBondContact O-CZ2 3.4Å; I326-W351 HydrophobicContact CB-CH2 3.56Å; I326-W351 HydrophobicContact CB-CZ2 3.86Å; I326-W351 HydrophobicContact CB-CZ3 4.15Å; I326-W351 HydrophobicContact CD1-CH2 4.47Å; I326-W351 HydrophobicContact CD1-CZ3 4.21Å; I326-W351 HydrophobicContact CG1-CE3 4.31Å; I326-W351 HydrophobicContact CG1-CH2 3.81Å; I326-W351 HydrophobicContact CG1-CZ2 4.2Å; I326-W351 HydrophobicContact CG1-CZ3 3.88Å; P327-W351 HydrophobicContact CG-CG 4.45Å; D348-W351 WeakPolarHBondContact CB-O 3.35Å; D348-W351 PolarHBondContact OD1-N 2.98Å; D348-W351 VanDerWaalsContact OD1-N 3.1Å; W351-L365 HydrophobicContact CB-CD2 4.32Å; W351-L365 HydrophobicContact CE3-CB 4.07Å; W351-I366 CarbonylContact C-O 3.54Å; W351-I366 WeakPolarHBondContact CA-O 3.12Å; W351-P367 HydrophobicContact CZ3-CB 4.23Å; W351-L371 HydrophobicContact CD2-CD2 4.17Å; W351-L371 HydrophobicContact CH2-CD2 3.87Å; W351-L371 HydrophobicContact CZ2-CD2 3.42Å; W351-L371 VanDerWaalsContact CZ2-CD2 3.42Å; W351-L371 HydrophobicContact CZ3-CD2 4.38Å
352W91.9Very high84.2Confident24 Ų2462.4 Ų62.49%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-85.6149.6176.1-59.1-20.3000111.3L312 Q346 L365 I366 S368 I369 Y425L312-W352 HydrophobicContact CD1-CE3 4.23Å; L312-W352 HydrophobicContact CD1-CZ3 3.76Å; Q346-W352 HydrophobicContact CB-CG 4.49Å; Q346-W352 HydrophobicContact CG-CD2 4.15Å; Q346-W352 HydrophobicContact CG-CG 4.14Å; W352-L365 WeakPolarHBondContact O-CA 3.31Å; W352-I366 HydrophobicContact CB-CD1 4.31Å; W352-I366 HydrophobicContact CB-CG1 3.83Å; W352-I366 HydrophobicContact CE3-CD1 4.37Å; W352-I366 PolarHBondContact N-O 3.09Å; W352-I366 PolarHBondContact O-N 3.42Å; W352-S368 VanDerWaalsContact CE2-CB 3.47Å; W352-I369 HydrophobicContact CH2-CB 4.11Å; W352-I369 HydrophobicContact CH2-CD1 3.68Å; W352-I369 HydrophobicContact CH2-CG1 3.56Å; W352-I369 HydrophobicContact CZ2-CG1 4.44Å; W352-I369 HydrophobicContact CZ3-CD1 4.35Å; W352-I369 HydrophobicContact CZ3-CG1 4.06Å; W352-Y425 HydrophobicContact CZ3-CD2 4.3Å
353Q90.6Very high84Confident13 Ų1362.2 Ų62.26%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-92.6122.1170.9-66.318038.400108.9L344 K345 G364 L365L344-Q353 PolarHBondContact N-O 3.41Å; K345-Q353 HydrophobicContact CB-CB 4.19Å; K345-Q353 PolarHBondContact N-O 3.1Å; K345-Q353 PolarHBondContact O-N 2.92Å; Q353-G364 WeakPolarHBondContact CA-O 3.3Å; Q353-L365 HydrophobicContact CG-CD2 3.99Å
354A92.1Very high84.1Confident0 Ų062.1 Ų62.10%031%0.308CS..EExtended strand (participates in β ladder)trans-141.7167.2179.200000111.1L333 L341 Q342 V343 G364 I366L333-A354 HydrophobicContact CD2-CB 4.37Å; L341-A354 HydrophobicContact CB-CB 4.46Å; Q342-A354 CarbonylContact O-C 3.57Å; Q342-A354 WeakPolarHBondContact O-CA 3.37Å; Q342-A354 WeakPolarHBondContact O-CB 3.5Å; V343-A354 HydrophobicContact CG2-CB 4.41Å; A354-G364 PolarHBondContact N-O 2.99Å; A354-G364 PolarHBondContact O-N 3.42Å; A354-G364 VanDerWaalsContact O-O 3.1Å; A354-I366 HydrophobicContact CB-CD1 3.54Å; A354-I366 HydrophobicContact CB-CG1 3.93Å; A354-I366 HydrophobicContact CB-CG2 4.16Å
355R91.1Very high84.4Confident60 Ų6060.7 Ų60.723%0.22630%0.3CS..EExtended strand (participates in β ladder)trans-136.2161.7168.263.5179.8-177.4165.35.8109.6L341 Q342 L344 D360L341-R355 CarbonylContact C-O 3.59Å; L341-R355 WeakPolarHBondContact CA-O 3.46Å; Q342-R355 HydrophobicContact CB-CG 4.12Å; Q342-R355 PolarHBondContact N-O 3.5Å; Q342-R355 PolarHBondContact O-N 3.3Å; Q342-R355 VanDerWaalsContact OE1-CZ 3.26Å; L344-R355 HydrophobicContact CD1-CG 4.28Å; R355-D360 IonicContact NH1-OD1 3.66Å
356H90.8Very high84.8Confident30 Ų3058.7 Ų58.714%0.13929%0.292CS..EExtended strand (participates in β ladder)trans-66.1142.3170.4-76.4-70.4000110.4K334 Q359K334-H356 PolarHBondContact O-NE2 3.12Å; H356-Q359 HydrophobicContact CB-CB 4.02Å; H356-Q359 VanDerWaalsContact CB-CD 3.41Å; H356-Q359 HydrophobicContact CB-CG 3.83Å; H356-Q359 PolarHBondContact O-N 2.87Å
357H83.6Confident85.1Confident41 Ų4154.3 Ų54.319%0.1927%0.271CS..THydrogen-bonded Turntrans-59.9139.6169.8176.766.4000110.2F311 I340 Q359 W631F311-H357 AromaticContact CE1-ND1 3.76Å; I340-H357 HydrophobicContact CB-CB 3.99Å; I340-H357 HydrophobicContact CG2-CB 3.92Å; I340-H357 PolarHBondContact O-N 3.44Å; H357-Q359 PolarHBondContact O-N 3.24Å; H357-W631 AromaticContact CD2-CZ2 3.63Å; H357-W631 AromaticContact CE1-CZ2 3.63Å; H357-W631 AromaticContact CG-CZ2 3.8Å; H357-W631 AromaticContact ND1-CZ2 3.78Å; H357-W631 AromaticContact NE2-CZ2 3.51Å
358N74Confident85.4Confident138 Ų13848.1 Ų48.174%0.73824%0.242SC*.THydrogen-bonded Turntrans62.513.3-175.5-58.6-26.1000116.4
359Q77Confident85.5Confident107 Ų10749.3 Ų49.350%0.525%0.248SC..  trans-110.3114.4168.9-63.1-178.216.500108.8H356 H357 G361H356-Q359 HydrophobicContact CB-CB 4.02Å; H356-Q359 VanDerWaalsContact CB-CD 3.41Å; H356-Q359 HydrophobicContact CB-CG 3.83Å; H356-Q359 PolarHBondContact O-N 2.87Å; H357-Q359 PolarHBondContact O-N 3.24Å; Q359-G361 PolarHBondContact O-N 3.27Å
360D65.9Low85.4Confident154 Ų15448.6 Ų48.682%0.82424%0.242SC*.  trans-73.524.3171.3-68.7-37.6000112.7R355R355-D360 IonicContact NH1-OD1 3.66Å
361G67.3Low85.3Confident36 Ų3645.1 Ų45.137%0.37123%0.229SC..PPolyproline II helixtrans-75.4168.4179.700000113.3Q359Q359-G361 PolarHBondContact O-N 3.27Å
362R76Confident84.9Confident153 Ų15345.4 Ų45.458%0.57723%0.232SC*.PPolyproline II helixtrans-53.3139.2173.5-167.6-172.2-174.2162.412.3110.5D224 G364D224-R362 IonicContact OD2-NH2 2.65Å; D224-R362 PolarHBondContact OD2-NH2 3.39Å; D224-R362 VanDerWaalsContact OD2-NH2 3.15Å; R362-G364 PolarHBondContact O-N 3.33Å
363A87.1Confident84.3Confident14 Ų1449 Ų4912%0.11625%0.249CC..PPolyproline II helixtrans-61136.3167.500000110.3A252 L344A252-A363 HydrophobicContact CB-CB 3.67Å; A252-A363 WeakPolarHBondContact O-CB 3.42Å; L344-A363 HydrophobicContact CD1-CB 3.74Å
364G90.9Very high83.6Confident7 Ų754.3 Ų54.37%0.07227%0.269CS..EExtended strand (participates in β ladder)trans-121.5166.4173.700000111.8A331 Q353 A354 R362A331-G364 CarbonylContact O-C 3.57Å; A331-G364 WeakPolarHBondContact O-CA 3.46Å; Q353-G364 WeakPolarHBondContact CA-O 3.3Å; A354-G364 PolarHBondContact N-O 2.99Å; A354-G364 PolarHBondContact O-N 3.42Å; A354-G364 VanDerWaalsContact O-O 3.1Å; R362-G364 PolarHBondContact O-N 3.33Å
365L93.3Very high82.9Confident18 Ų1856.7 Ų56.79%0.09428%0.278CS..EExtended strand (participates in β ladder)trans-85128.5179.1-61.9179.3000110.1I326 A331 G332 L333 W351 W352 Q353I326-L365 HydrophobicContact CD1-CB 4.43Å; A331-L365 HydrophobicContact CB-CD1 4.08Å; A331-L365 HydrophobicContact CB-CG 4.29Å; A331-L365 PolarHBondContact O-N 3.19Å; G332-L365 WeakPolarHBondContact CA-O 3.36Å; L333-L365 PolarHBondContact N-O 3.37Å; W351-L365 HydrophobicContact CB-CD2 4.32Å; W351-L365 HydrophobicContact CE3-CB 4.07Å; W352-L365 WeakPolarHBondContact O-CA 3.31Å; Q353-L365 HydrophobicContact CG-CD2 3.99Å
366I93.1Very high81.9Confident0 Ų056.8 Ų56.80%028%0.28CS..EExtended strand (participates in β ladder)trans-117148.2169.963.5169.6000109.3L333 F335 L341 V343 W351 W352 A354 S368L333-I366 HydrophobicContact CB-CG2 3.78Å; L333-I366 HydrophobicContact CD2-CG2 3.88Å; L333-I366 HydrophobicContact CG-CG2 4.32Å; F335-I366 HydrophobicContact CD1-CG2 3.91Å; F335-I366 HydrophobicContact CE1-CB 3.94Å; F335-I366 HydrophobicContact CE1-CG2 3.64Å; L341-I366 HydrophobicContact CD1-CD1 3.98Å; L341-I366 HydrophobicContact CD1-CG2 4.35Å; V343-I366 HydrophobicContact CG2-CD1 4.45Å; W351-I366 CarbonylContact C-O 3.54Å; W351-I366 WeakPolarHBondContact CA-O 3.12Å; W352-I366 HydrophobicContact CB-CD1 4.31Å; W352-I366 HydrophobicContact CB-CG1 3.83Å; W352-I366 HydrophobicContact CE3-CD1 4.37Å; W352-I366 PolarHBondContact N-O 3.09Å; W352-I366 PolarHBondContact O-N 3.42Å; A354-I366 HydrophobicContact CB-CD1 3.54Å; A354-I366 HydrophobicContact CB-CG1 3.93Å; A354-I366 HydrophobicContact CB-CG2 4.16Å; I366-S368 PolarHBondContact O-N 2.77Å
367P92.5Very high80.6Confident0 Ų058 Ų580%030%0.295CS..EExtended strand (participates in β ladder)trans-64.6133.7174.327.7-34.3000109.9F316 Y318 W351 L371 Y425F316-P367 HydrophobicContact CE2-CG 4.23Å; F316-P367 HydrophobicContact CZ-CG 4.03Å; Y318-P367 HydrophobicContact CD1-CG 4.42Å; Y318-P367 HydrophobicContact CD2-CG 4.16Å; Y318-P367 HydrophobicContact CE2-CG 4.31Å; Y318-P367 HydrophobicContact CG-CG 4.24Å; W351-P367 HydrophobicContact CZ3-CB 4.23Å; P367-L371 HydrophobicContact CB-CD2 3.94Å; P367-L371 HydrophobicContact CB-CG 4.44Å; P367-Y425 VanDerWaalsContact O-CE2 3.27Å; P367-Y425 WeakPolarHBondContact O-CE2 3.5Å; P367-Y425 PolarHBondContact O-OH 2.95Å
368S89.2Confident79.2Confident0 Ų063.4 Ų63.40%032%0.318CS..  trans-64.6164.2169.963.40000111.8P349 Y350 W352 I366 V370 L371 Q372P349-S368 WeakPolarHBondContact O-CB 3.21Å; P349-S368 PolarHBondContact O-OG 3.01Å; Y350-S368 VanDerWaalsContact C-OG 3.3Å; Y350-S368 VanDerWaalsContact CA-OG 3.24Å; Y350-S368 WeakPolarHBondContact CA-OG 3.47Å; Y350-S368 WeakPolarHBondContact O-CB 3.45Å; Y350-S368 PolarHBondContact O-N 3.35Å; Y350-S368 PolarHBondContact O-OG 3.34Å; W352-S368 VanDerWaalsContact CE2-CB 3.47Å; I366-S368 PolarHBondContact O-N 2.77Å; S368-V370 VanDerWaalsContact C-N 3.27Å; S368-V370 PolarHBondContact O-N 3.23Å; S368-L371 PolarHBondContact O-N 2.83Å; S368-L371 WeakPolarHBondContact OG-CB 3.4Å; S368-L371 PolarHBondContact OG-N 3.23Å; S368-Q372 WeakPolarHBondContact O-CB 3.37Å; S368-Q372 PolarHBondContact O-N 3.41Å; S368-Q372 VanDerWaalsContact O-N 3.11Å
369I86.2Confident78.2Confident59 Ų5961.7 Ų61.730%0.30331%0.308SS..Hα-helixtrans-52.5-48169.3-67.8172.3000110.4W352 L371 Q372 E373 Y425W352-I369 HydrophobicContact CH2-CB 4.11Å; W352-I369 HydrophobicContact CH2-CD1 3.68Å; W352-I369 HydrophobicContact CH2-CG1 3.56Å; W352-I369 HydrophobicContact CZ2-CG1 4.44Å; W352-I369 HydrophobicContact CZ3-CD1 4.35Å; W352-I369 HydrophobicContact CZ3-CG1 4.06Å; I369-L371 PolarHBondContact O-N 3.42Å; I369-Q372 PolarHBondContact O-N 2.69Å; I369-E373 HydrophobicContact CG2-CG 4.04Å; I369-E373 VanDerWaalsContact CG2-OE1 3.31Å; I369-E373 WeakPolarHBondContact CG2-OE1 3.48Å; I369-E373 WeakPolarHBondContact O-CB 3.48Å; I369-E373 WeakPolarHBondContact O-CG 3.39Å; I369-E373 PolarHBondContact O-N 3.39Å; I369-Y425 HydrophobicContact CG1-CD2 3.83Å
370V83.4Confident76.9Confident61 Ų6162.9 Ų62.937%0.3731%0.314SS..Hα-helixtrans-59.5-44.3-177.8179.50000112.1Y350 S368 Q372 R374Y350-V370 HydrophobicContact CE1-CG1 4.3Å; S368-V370 VanDerWaalsContact C-N 3.27Å; S368-V370 PolarHBondContact O-N 3.23Å; V370-Q372 VanDerWaalsContact C-N 3.34Å; V370-R374 WeakPolarHBondContact O-CG 3.46Å; V370-R374 PolarHBondContact O-N 3.4Å; V370-R374 VanDerWaalsContact O-N 3.11Å
371L84.1Confident75.7Confident16 Ų1659.9 Ų59.98%0.08430%0.304CS..Hα-helixtrans-65-41.5179.3-179.660.1000111.3L325 Y350 W351 P367 S368 I369 R374 R375L325-L371 HydrophobicContact CD1-CD1 4.1Å; Y350-L371 HydrophobicContact CD1-CB 4.32Å; Y350-L371 HydrophobicContact CD1-CD1 4.4Å; Y350-L371 WeakPolarHBondContact O-CD2 3.37Å; W351-L371 HydrophobicContact CD2-CD2 4.17Å; W351-L371 HydrophobicContact CH2-CD2 3.87Å; W351-L371 HydrophobicContact CZ2-CD2 3.42Å; W351-L371 VanDerWaalsContact CZ2-CD2 3.42Å; W351-L371 HydrophobicContact CZ3-CD2 4.38Å; P367-L371 HydrophobicContact CB-CD2 3.94Å; P367-L371 HydrophobicContact CB-CG 4.44Å; S368-L371 PolarHBondContact O-N 2.83Å; S368-L371 WeakPolarHBondContact OG-CB 3.4Å; S368-L371 PolarHBondContact OG-N 3.23Å; I369-L371 PolarHBondContact O-N 3.42Å; L371-R374 PolarHBondContact O-N 2.89Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 3.19Å; L371-R375 VanDerWaalsContact O-N 3.1Å
372Q83.1Confident74Confident23 Ų2359.4 Ų59.411%0.10730%0.297CS..Hα-helixtrans-78.4-33.7-174.7-172.368.18.100112.5F316 S368 I369 V370 R375 K376 L424F316-Q372 HydrophobicContact CE1-CG 4.21Å; F316-Q372 HydrophobicContact CE2-CG 4.21Å; F316-Q372 HydrophobicContact CZ-CG 3.87Å; S368-Q372 WeakPolarHBondContact O-CB 3.37Å; S368-Q372 PolarHBondContact O-N 3.41Å; S368-Q372 VanDerWaalsContact O-N 3.11Å; I369-Q372 PolarHBondContact O-N 2.69Å; V370-Q372 VanDerWaalsContact C-N 3.34Å; Q372-R375 WeakPolarHBondContact O-CB 3.49Å; Q372-R375 PolarHBondContact O-N 3.01Å; Q372-R375 VanDerWaalsContact OE1-CD 3.31Å; Q372-K376 PolarHBondContact O-N 2.75Å; Q372-K376 VanDerWaalsContact O-N 3.08Å; Q372-L424 HydrophobicContact CB-CD1 3.65Å; Q372-L424 HydrophobicContact CG-CD1 3.56Å; Q372-L424 HydrophobicContact CG-CD2 3.54Å; Q372-L424 HydrophobicContact CG-CG 4.09Å
373E78.8Confident72.3Confident99 Ų9956.3 Ų56.346%0.46330%0.297SS..Hα-helixtrans-60.9-46167.6-76.7178.4171.200111.3I369 R375 K376 A377 L424I369-E373 HydrophobicContact CG2-CG 4.04Å; I369-E373 VanDerWaalsContact CG2-OE1 3.31Å; I369-E373 WeakPolarHBondContact CG2-OE1 3.48Å; I369-E373 WeakPolarHBondContact O-CB 3.48Å; I369-E373 WeakPolarHBondContact O-CG 3.39Å; I369-E373 PolarHBondContact O-N 3.39Å; E373-R375 VanDerWaalsContact C-N 3.33Å; E373-R375 PolarHBondContact O-N 2.93Å; E373-K376 PolarHBondContact O-N 2.76Å; E373-K376 VanDerWaalsContact O-N 3.16Å; E373-A377 WeakPolarHBondContact O-CB 3.29Å; E373-A377 PolarHBondContact O-N 2.93Å; E373-L424 HydrophobicContact CG-CD1 3.97Å
374R77.2Confident70.2Confident124 Ų12460.8 Ų60.847%0.46832%0.319SS..Hα-helixtrans-56.8-46.8175.4-78.1-178.3-178.2178.27.2111.4Y350 V370 L371 K376 A377 F378Y350-R374 PolarHBondContact OH-NH1 3.03Å; Y350-R374 PolarHBondContact OH-NH2 3.26Å; V370-R374 WeakPolarHBondContact O-CG 3.46Å; V370-R374 PolarHBondContact O-N 3.4Å; V370-R374 VanDerWaalsContact O-N 3.11Å; L371-R374 PolarHBondContact O-N 2.89Å; R374-K376 VanDerWaalsContact C-N 3.32Å; R374-K376 PolarHBondContact O-N 3.13Å; R374-A377 PolarHBondContact O-N 2.96Å; R374-F378 HydrophobicContact CB-CE2 4.38Å; R374-F378 WeakPolarHBondContact O-CD2 3.27Å; R374-F378 PolarHBondContact O-N 3Å; R374-F378 VanDerWaalsContact O-N 3.1Å
375R76.6Confident68.1Low50 Ų5065.8 Ų65.819%0.18935%0.35CS..Hα-helixtrans-55.4-46.5176.1-74.7171.7178.2169.41.5112.2D323 L371 Q372 E373 F378 I379D323-R375 IonicContact OD1-CZ 3.2Å; D323-R375 IonicContact OD1-NH2 3.76Å; D323-R375 PolarHBondContact OD1-NH2 3.41Å; D323-R375 IonicContact OD2-CZ 2.61Å; D323-R375 IonicContact OD2-NH1 3.15Å; D323-R375 PolarHBondContact OD2-NH1 3.03Å; D323-R375 IonicContact OD2-NH2 3.14Å; D323-R375 PolarHBondContact OD2-NH2 3.06Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 3.19Å; L371-R375 VanDerWaalsContact O-N 3.1Å; Q372-R375 WeakPolarHBondContact O-CB 3.49Å; Q372-R375 PolarHBondContact O-N 3.01Å; Q372-R375 VanDerWaalsContact OE1-CD 3.31Å; E373-R375 VanDerWaalsContact C-N 3.33Å; E373-R375 PolarHBondContact O-N 2.93Å; R375-F378 PolarHBondContact O-N 3.31Å; R375-I379 WeakPolarHBondContact O-CG1 3.47Å; R375-I379 PolarHBondContact O-N 2.98Å
376K69.8Low65.9Low63 Ų6372.5 Ų72.527%0.27438%0.381SS..Hα-helixtrans-71.3-35.5-179.5-74.2-175173.3-171.20112.8Q372 E373 R374 F378 I379 Q380 I422 L424Q372-K376 PolarHBondContact O-N 2.75Å; Q372-K376 VanDerWaalsContact O-N 3.08Å; E373-K376 PolarHBondContact O-N 2.76Å; E373-K376 VanDerWaalsContact O-N 3.16Å; R374-K376 VanDerWaalsContact C-N 3.32Å; R374-K376 PolarHBondContact O-N 3.13Å; K376-F378 VanDerWaalsContact C-N 3.32Å; K376-F378 PolarHBondContact O-N 3.42Å; K376-I379 PolarHBondContact O-N 2.97Å; K376-I379 VanDerWaalsContact O-N 3.12Å; K376-Q380 WeakPolarHBondContact O-CG 3.43Å; K376-Q380 PolarHBondContact O-N 3.47Å; K376-I422 HydrophobicContact CB-CD1 4.18Å; K376-I422 HydrophobicContact CD-CD1 4.06Å; K376-I422 HydrophobicContact CD-CG2 3.39Å; K376-L424 HydrophobicContact CD-CD2 4.05Å; K376-L424 VanDerWaalsContact NZ-CD2 3.33Å
377A63.5Low63.5Low55 Ų5576.2 Ų76.246%0.45540%0.398SS..Hα-helixtrans-62.4-38.9174.900000112.1E373 R374 I379 Q380 S381E373-A377 WeakPolarHBondContact O-CB 3.29Å; E373-A377 PolarHBondContact O-N 2.93Å; R374-A377 PolarHBondContact O-N 2.96Å; A377-I379 VanDerWaalsContact C-N 3.34Å; A377-I379 PolarHBondContact O-N 3.23Å; A377-Q380 PolarHBondContact O-N 3.25Å; A377-S381 PolarHBondContact O-N 2.98Å; A377-S381 PolarHBondContact O-OG 3.47Å
378F55.2Low61.1Low155 Ų15580.8 Ų80.868%0.6842%0.422SS*.Hα-helixtrans-63.4-39.8172.7-72.6-67.1000111.9R374 R375 K376 S381R374-F378 HydrophobicContact CB-CE2 4.38Å; R374-F378 WeakPolarHBondContact O-CD2 3.27Å; R374-F378 PolarHBondContact O-N 3Å; R374-F378 VanDerWaalsContact O-N 3.1Å; R375-F378 PolarHBondContact O-N 3.31Å; K376-F378 VanDerWaalsContact C-N 3.32Å; K376-F378 PolarHBondContact O-N 3.42Å; F378-S381 PolarHBondContact O-OG 3.28Å
379I52.5Low58.9Low102 Ų10286.2 Ų86.252%0.52346%0.456SS..Hα-helixtrans-68.6-43.5177.7-63.7165.3000111.6R375 K376 A377 S381 A382R375-I379 WeakPolarHBondContact O-CG1 3.47Å; R375-I379 PolarHBondContact O-N 2.98Å; K376-I379 PolarHBondContact O-N 2.97Å; K376-I379 VanDerWaalsContact O-N 3.12Å; A377-I379 VanDerWaalsContact C-N 3.34Å; A377-I379 PolarHBondContact O-N 3.23Å; I379-S381 PolarHBondContact O-N 2.99Å; I379-A382 WeakPolarHBondContact O-CB 3.19Å; I379-A382 PolarHBondContact O-N 3.43Å
380Q50Low56.7Low132 Ų13291.8 Ų91.862%0.61747%0.474SS*.Hα-helixtrans-68.4-22.9-178.7-73.8179.1-11.500113.5K376 A377 A382K376-Q380 WeakPolarHBondContact O-CG 3.43Å; K376-Q380 PolarHBondContact O-N 3.47Å; A377-Q380 PolarHBondContact O-N 3.25Å; Q380-A382 PolarHBondContact O-N 2.72Å
381S39.6Very low54.7Low90 Ų9093.8 Ų93.863%0.62948%0.478SS*.THydrogen-bonded Turntrans-77.7-4.5173.1650000114.2A377 F378 I379 P383A377-S381 PolarHBondContact O-N 2.98Å; A377-S381 PolarHBondContact O-OG 3.47Å; F378-S381 PolarHBondContact O-OG 3.28Å; I379-S381 PolarHBondContact O-N 2.99Å; S381-P383 WeakPolarHBondContact O-CD 3.48Å
382A32.4Very low52.7Low27 Ų2798.3 Ų98.322%0.22351%0.506CS..SBendtrans-85.9117.2170.100000110I379 Q380 N384 L388I379-A382 WeakPolarHBondContact O-CB 3.19Å; I379-A382 PolarHBondContact O-N 3.43Å; Q380-A382 PolarHBondContact O-N 2.72Å; A382-N384 PolarHBondContact O-N 2.96Å; A382-L388 HydrophobicContact CB-CD1 3.92Å
383P40.1Very low50.8Low87 Ų87106.8 Ų106.857%0.56554%0.543SS*.SBendtrans-70.7113.2167.722.4-14.6000107.1S381 E387S381-P383 WeakPolarHBondContact O-CD 3.48Å; P383-E387 WeakPolarHBondContact O-CB 3.32Å
384N42Very low49Very low108 Ų108104.5 Ų104.558%0.57854%0.541SS*.  trans69.9123.6-172.4-76.4-2.6000116.9A382 E386 E387A382-N384 PolarHBondContact O-N 2.96Å; N384-E386 PolarHBondContact O-N 2.88Å; N384-E386 VanDerWaalsContact O-N 3.16Å; N384-E387 HydrophobicContact CB-CB 4.39Å; N384-E387 PolarHBondContact O-N 2.88Å
385P47.5Very low47.1Very low112 Ų112104.5 Ų104.573%0.72756%0.559SS**THydrogen-bonded Turntrans-61.9-19.7171.524-31.1000113
386E47.7Very low45.3Very low159 Ų159104.9 Ų104.974%0.74358%0.578SS**THydrogen-bonded Turntrans-77.7-23.6173.9-65.4177.9176.200113.5N384 L388N384-E386 PolarHBondContact O-N 2.88Å; N384-E386 VanDerWaalsContact O-N 3.16Å; E386-L388 PolarHBondContact O-N 2.83Å
387E43Very low44Very low79 Ų79110.7 Ų110.737%0.36961%0.611SS.*THydrogen-bonded Turntrans-76.6-14178.3-118.4-163.1159.300112.3P383 N384 T389 Y390 K391P383-E387 WeakPolarHBondContact O-CB 3.32Å; N384-E387 HydrophobicContact CB-CB 4.39Å; N384-E387 PolarHBondContact O-N 2.88Å; E387-T389 VanDerWaalsContact C-N 3.26Å; E387-T389 PolarHBondContact O-N 3.23Å; E387-Y390 PolarHBondContact O-N 2.88Å; E387-K391 PolarHBondContact O-N 2.6Å; E387-K391 WeakPolarHBondContact OE1-CE 3.37Å; E387-K391 IonicContact OE1-NZ 3.29Å; E387-K391 PolarHBondContact OE1-NZ 3.45Å; E387-K391 IonicContact OE2-NZ 3.05Å; E387-K391 PolarHBondContact OE2-NZ 2.91Å
388L42.3Very low43.1Very low95 Ų95112.1 Ų112.150%0.49762%0.623SS.*Hα-helixtrans-70.1-24.2-177.7-152.674.2000112.5A382 E386 T392A382-L388 HydrophobicContact CB-CD1 3.92Å; E386-L388 PolarHBondContact O-N 2.83Å; L388-T392 PolarHBondContact O-OG1 3.17Å
389T42.9Very low42.3Very low115 Ų115117.1 Ų117.171%0.70664%0.638SS**Hα-helixtrans-83.4-20178.7-160000112.7E387E387-T389 VanDerWaalsContact C-N 3.26Å; E387-T389 PolarHBondContact O-N 3.23Å
390Y39.7Very low42Very low175 Ų175123.1 Ų123.169%0.68665%0.654SS**Hα-helixtrans-94.3-32.1178.7-164.9-99.8000112.6E387 T392 A394E387-Y390 PolarHBondContact O-N 2.88Å; Y390-T392 PolarHBondContact O-N 3.05Å; Y390-A394 HydrophobicContact CD1-CB 4.04Å; Y390-A394 HydrophobicContact CE1-CB 3.72Å; Y390-A394 WeakPolarHBondContact O-CB 3.18Å; Y390-A394 PolarHBondContact O-N 3.09Å
391K41.3Very low41.7Very low104 Ų104128.6 Ų128.645%0.45267%0.669SS.*Hα-helixtrans-78.3-16.7-174.9-78.8177.5175.6163.40115.2E387E387-K391 PolarHBondContact O-N 2.6Å; E387-K391 WeakPolarHBondContact OE1-CE 3.37Å; E387-K391 IonicContact OE1-NZ 3.29Å; E387-K391 PolarHBondContact OE1-NZ 3.45Å; E387-K391 IonicContact OE2-NZ 3.05Å; E387-K391 PolarHBondContact OE2-NZ 2.91Å
392T40.9Very low41.9Very low110 Ų110134.3 Ų134.368%0.67568%0.682SS**THydrogen-bonded Turntrans-81.7-9.7175.625.60000114.2L388 Y390L388-T392 PolarHBondContact O-OG1 3.17Å; Y390-T392 PolarHBondContact O-N 3.05Å
393F43.9Very low42.2Very low201 Ų201142.5 Ų142.588%0.88271%0.713SS**THydrogen-bonded Turntrans-120.6-15.3173.8-82.3-86.5000115.1
394A40.8Very low42.2Very low51 Ų51147.4 Ų147.442%0.42173%0.725SS.*  trans-111.114.6-172.400000115.9Y390 G396Y390-A394 HydrophobicContact CD1-CB 4.04Å; Y390-A394 HydrophobicContact CE1-CB 3.72Å; Y390-A394 WeakPolarHBondContact O-CB 3.18Å; Y390-A394 PolarHBondContact O-N 3.09Å; A394-G396 PolarHBondContact O-N 3.31Å
395C37.9Very low42.2Very low125 Ų125148.2 Ų148.285%0.84573%0.734SS**  trans-99.462.9-179.3-147.20000112.9
396G38.1Very low41.8Very low58 Ų58148 Ų14860%0.59873%0.73SS**SBendtrans-134.3121.4153.900000106.4A394A394-G396 PolarHBondContact O-N 3.31Å
397L43.6Very low41.8Very low184 Ų184145.9 Ų145.996%0.96372%0.723SS**SBendtrans82.454.8172.9-50.3156.1000117.6
398A43.5Very low42Very low86 Ų86147.2 Ų147.271%0.71174%0.738SS**  trans-154.997.5148.200000111.9R400A398-R400 VanDerWaalsContact C-N 3.25Å; A398-R400 PolarHBondContact O-N 2.85Å
399R39.7Very low41.9Very low259 Ų259149.2 Ų149.298%0.97774%0.743SS**  trans-67.184162.8-78.1-179.6173.5175.1-1.5108.9
400R46.3Very low42.1Very low228 Ų228146.2 Ų146.286%0.8673%0.726SS**  trans-102.6123164.1-77.4-167.3173-171.40.3109.8A398 K402A398-R400 VanDerWaalsContact C-N 3.25Å; A398-R400 PolarHBondContact O-N 2.85Å; R400-K402 PolarHBondContact O-N 3.44Å
401R43.1Very low42.7Very low248 Ų248141.6 Ų141.694%0.93673%0.725SS**  trans-54.1124.6177.8-72.9178.1166.1170.1-4.6109.8K403R401-K403 PolarHBondContact O-N 3.05Å; R401-K403 VanDerWaalsContact O-N 3.1Å
402K43.5Very low43.3Very low209 Ų209146.4 Ų146.491%0.90974%0.74SS**  trans-57.5110.1171.6-71.8-179.3175.7-179.70109.2R400 K404R400-K402 PolarHBondContact O-N 3.44Å; K402-K404 PolarHBondContact O-N 3.23Å
403K38.6Very low44Very low200 Ų200143.4 Ų143.487%0.8772%0.72SS**  trans-69.7116.2161-95.5-176.8175.11790107R401 V405R401-K403 PolarHBondContact O-N 3.05Å; R401-K403 VanDerWaalsContact O-N 3.1Å; K403-V405 PolarHBondContact O-N 3.45Å; K403-V405 VanDerWaalsContact O-N 3.1Å
404K39.3Very low44.5Very low190 Ų190135.4 Ų135.483%0.82669%0.691SS**  trans-66.8104.2170.8-164.2178.3-175.3-177.10106.8K402 T406K402-K404 PolarHBondContact O-N 3.23Å; K404-T406 PolarHBondContact O-N 3.42Å; K404-T406 VanDerWaalsContact O-N 3.12Å
405V43.1Very low45.1Very low124 Ų124138 Ų13875%0.75270%0.697SS**  trans-73.1100.5168.7179.50000106K403 I407K403-V405 PolarHBondContact O-N 3.45Å; K403-V405 VanDerWaalsContact O-N 3.1Å; V405-I407 HydrophobicContact CG1-CG1 4.17Å
406T38.1Very low45.7Very low107 Ų107136.2 Ų136.266%0.65668%0.68SS**  trans-86.9106.6167.9-50.80000106.2K404 P408K404-T406 PolarHBondContact O-N 3.42Å; K404-T406 VanDerWaalsContact O-N 3.12Å; T406-P408 VanDerWaalsContact O-CD 3.31Å; T406-P408 WeakPolarHBondContact O-CD 3.34Å
407I48.7Very low46.3Very low116 Ų116137.8 Ų137.860%0.59567%0.668SS**  trans-74.8115.1169.5-54.7174.8000105.4V405 F409V405-I407 HydrophobicContact CG1-CG1 4.17Å; I407-F409 PolarHBondContact O-N 3.26Å; I407-F409 VanDerWaalsContact O-N 3.09Å
408P46.8Very low46.5Very low106 Ų106135.4 Ų135.469%0.68866%0.656SS**  trans-63.1115.9175.225.5-30.6000108T406 C410T406-P408 VanDerWaalsContact O-CD 3.31Å; T406-P408 WeakPolarHBondContact O-CD 3.34Å; P408-C410 PolarHBondContact O-N 3.33Å
409F39.8Very low46.7Very low137 Ų137133.4 Ų133.460%0.60164%0.636SS**  trans-67.4117.6170.1176.5-96.2000108I407 A411 A414 Y417I407-F409 PolarHBondContact O-N 3.26Å; I407-F409 VanDerWaalsContact O-N 3.09Å; F409-A411 HydrophobicContact CE1-CB 4.38Å; F409-A414 HydrophobicContact CE2-CB 4.32Å; F409-A414 HydrophobicContact CZ-CB 3.9Å; F409-Y417 HydrophobicContact CD2-CD2 4.16Å; F409-Y417 HydrophobicContact CD2-CE2 4.37Å; F409-Y417 HydrophobicContact CE2-CD2 4.1Å
410C46.9Very low47.3Very low52 Ų52127.8 Ų127.835%0.35162%0.618SS.*  trans-100.9127.4168.4-141.40000107.4P408 R412 D413P408-C410 PolarHBondContact O-N 3.33Å; C410-R412 HydrophobicContact CB-CG 3.79Å; C410-R412 PolarHBondContact O-N 3Å; C410-R412 VanDerWaalsContact O-N 3.12Å; C410-R412 VanDerWaalsContact SG-CD 3.58Å; C410-R412 WeakPolarHBondContact SG-CG 3.5Å; C410-D413 HydrophobicContact CB-CB 4.49Å; C410-D413 VanDerWaalsContact CB-OD2 3.24Å; C410-D413 WeakPolarHBondContact CB-OD2 3.14Å; C410-D413 WeakPolarHBondContact O-CA 3.45Å; C410-D413 WeakPolarHBondContact O-CB 3.47Å; C410-D413 PolarHBondContact O-N 2.78Å
411A53.1Low47.6Very low79 Ų79123.3 Ų123.365%0.65361%0.611SS**G310 helixtrans-57.7-29.4-178.600000112.9F409 D413 A414F409-A411 HydrophobicContact CE1-CB 4.38Å; A411-D413 PolarHBondContact O-N 2.94Å; A411-A414 WeakPolarHBondContact O-CB 3.34Å; A411-A414 PolarHBondContact O-N 2.93Å; A411-A414 VanDerWaalsContact O-N 3.08Å
412R52.9Low48.5Very low204 Ų204114.4 Ų114.477%0.7758%0.581SS**G310 helixtrans-63.6-20.5171.835.7175-95.7-174.4-3.6114.3C410C410-R412 HydrophobicContact CB-CG 3.79Å; C410-R412 PolarHBondContact O-N 3Å; C410-R412 VanDerWaalsContact O-N 3.12Å; C410-R412 VanDerWaalsContact SG-CD 3.58Å; C410-R412 WeakPolarHBondContact SG-CG 3.5Å
413D55.8Low49.9Very low48 Ų48106.8 Ų106.826%0.25755%0.552SS.*G310 helixtrans-98.74.7175.6-53.6-36.4000111.6C410 A411 D415 N416 Y417C410-D413 HydrophobicContact CB-CB 4.49Å; C410-D413 VanDerWaalsContact CB-OD2 3.24Å; C410-D413 WeakPolarHBondContact CB-OD2 3.14Å; C410-D413 WeakPolarHBondContact O-CA 3.45Å; C410-D413 WeakPolarHBondContact O-CB 3.47Å; C410-D413 PolarHBondContact O-N 2.78Å; A411-D413 PolarHBondContact O-N 2.94Å; D413-D415 VanDerWaalsContact C-N 3.26Å; D413-D415 PolarHBondContact O-N 3.1Å; D413-N416 VanDerWaalsContact O-CB 3.3Å; D413-N416 WeakPolarHBondContact O-CB 2.98Å; D413-N416 PolarHBondContact O-N 3.27Å; D413-Y417 HydrophobicContact CB-CD2 4.39Å; D413-Y417 HydrophobicContact CB-CE2 3.85Å; D413-Y417 WeakPolarHBondContact O-CD2 3.37Å
414A54.2Low52.1Low32 Ų3297.4 Ų97.426%0.26451%0.512SS..THydrogen-bonded Turntrans-55.1-40.9-177.100000112.3F409 A411 N416 Y417 D418F409-A414 HydrophobicContact CE2-CB 4.32Å; F409-A414 HydrophobicContact CZ-CB 3.9Å; A411-A414 WeakPolarHBondContact O-CB 3.34Å; A411-A414 PolarHBondContact O-N 2.93Å; A411-A414 VanDerWaalsContact O-N 3.08Å; A414-N416 PolarHBondContact O-N 3.24Å; A414-N416 VanDerWaalsContact O-N 3.16Å; A414-Y417 CarbonylContact O-C 3.57Å; A414-Y417 WeakPolarHBondContact O-CA 3.32Å; A414-Y417 PolarHBondContact O-N 3.1Å; A414-D418 PolarHBondContact O-N 3.12Å
415D53.5Low54.4Low105 Ų10589.1 Ų89.156%0.56148%0.475SS*.Hα-helixtrans-58.5-28.8177.1-68.3-10.7000113D413 Y417 T419D413-D415 VanDerWaalsContact C-N 3.26Å; D413-D415 PolarHBondContact O-N 3.1Å; D415-Y417 VanDerWaalsContact C-N 3.29Å; D415-Y417 PolarHBondContact O-N 3.36Å; D415-T419 PolarHBondContact O-OG1 3.42Å
416N51.8Low56.6Low89 Ų8983.8 Ų83.848%0.47644%0.442SS..Hα-helixtrans-77.4-15.2176.3-61.1-35.3000112.9D413 A414D413-N416 VanDerWaalsContact O-CB 3.3Å; D413-N416 WeakPolarHBondContact O-CB 2.98Å; D413-N416 PolarHBondContact O-N 3.27Å; A414-N416 PolarHBondContact O-N 3.24Å; A414-N416 VanDerWaalsContact O-N 3.16Å
417Y49.2Very low59.2Low91 Ų9183.3 Ų83.336%0.35743%0.433SS..Hα-helixtrans-105.5-31.2178.8-63.3-77.4000112.7F409 D413 A414 D415 T419 K420F409-Y417 HydrophobicContact CD2-CD2 4.16Å; F409-Y417 HydrophobicContact CD2-CE2 4.37Å; F409-Y417 HydrophobicContact CE2-CD2 4.1Å; D413-Y417 HydrophobicContact CB-CD2 4.39Å; D413-Y417 HydrophobicContact CB-CE2 3.85Å; D413-Y417 WeakPolarHBondContact O-CD2 3.37Å; A414-Y417 CarbonylContact O-C 3.57Å; A414-Y417 WeakPolarHBondContact O-CA 3.32Å; A414-Y417 PolarHBondContact O-N 3.1Å; D415-Y417 VanDerWaalsContact C-N 3.29Å; D415-Y417 PolarHBondContact O-N 3.36Å; Y417-T419 PolarHBondContact O-N 3.43Å; Y417-K420 PolarHBondContact O-N 2.99Å
418D48.1Very low61.2Low133 Ų13378 Ų7871%0.71141%0.405SS*.Hα-helixtrans-65.5-20.6-175.8-154.930.5000113.1A414A414-D418 PolarHBondContact O-N 3.12Å
419T48.6Very low63Low45 Ų4574 Ų7428%0.27638%0.381SS..THydrogen-bonded Turntrans-87.21.717939.40000114.6D415 Y417 D421D415-T419 PolarHBondContact O-OG1 3.42Å; Y417-T419 PolarHBondContact O-N 3.43Å; T419-D421 VanDerWaalsContact C-N 3.32Å; T419-D421 PolarHBondContact O-N 3.06Å
420K51.5Low65.1Low140 Ų14072.5 Ų72.561%0.60938%0.378SS*.THydrogen-bonded Turntrans-91.519-179-65.8-173.4-177.5177.80114.4Y417 I422Y417-K420 PolarHBondContact O-N 2.99Å; K420-I422 WeakPolarHBondContact O-CG1 3.49Å; K420-I422 PolarHBondContact O-N 2.93Å
421D53.9Low66.5Low135 Ų13571.7 Ų71.772%0.72237%0.371SS*.  trans-61.8109.8163.6-91.5-7.5000108.5T419 V423T419-D421 VanDerWaalsContact C-N 3.32Å; T419-D421 PolarHBondContact O-N 3.06Å; D421-V423 PolarHBondContact O-N 2.8Å
422I61.6Low67.5Low60 Ų6072.2 Ų72.231%0.30837%0.37SS..  trans-73.383.1-177.2-53.3178.3000107.5K376 K420 L424K376-I422 HydrophobicContact CB-CD1 4.18Å; K376-I422 HydrophobicContact CD-CD1 4.06Å; K376-I422 HydrophobicContact CD-CG2 3.39Å; K420-I422 WeakPolarHBondContact O-CG1 3.49Å; K420-I422 PolarHBondContact O-N 2.93Å; I422-L424 HydrophobicContact CG2-CD2 3.69Å; I422-L424 HydrophobicContact CG2-CG 3.88Å; I422-L424 PolarHBondContact O-N 3.2Å
423V71.8Confident68.6Low49 Ų4963.5 Ų63.530%0.29734%0.344SS..  trans-72.1103.8175.2-161.70000107.8H315 D421 E426 Y600H315-V423 VanDerWaalsContact CB-O 3.27Å; H315-V423 WeakPolarHBondContact CB-O 3.31Å; H315-V423 VanDerWaalsContact CD2-CG1 3.47Å; H315-V423 WeakPolarHBondContact CD2-CG1 3.33Å; D421-V423 PolarHBondContact O-N 2.8Å; V423-E426 HydrophobicContact CG1-CB 4.43Å; V423-Y600 HydrophobicContact CG2-CE2 4.39Å
424L84.3Confident69.9Low3 Ų363.6 Ų63.62%0.01634%0.342CS..  trans-90.1-47.2-180-67.3171.5000111.4H315 F316 Q372 E373 K376 I422H315-L424 PolarHBondContact N-O 3.45Å; F316-L424 HydrophobicContact CD1-CB 4.32Å; F316-L424 HydrophobicContact CD1-CD2 4.07Å; F316-L424 WeakPolarHBondContact CD1-O 3.37Å; F316-L424 HydrophobicContact CE1-CB 4.06Å; F316-L424 HydrophobicContact CE1-CD2 4.26Å; Q372-L424 HydrophobicContact CB-CD1 3.65Å; Q372-L424 HydrophobicContact CG-CD1 3.56Å; Q372-L424 HydrophobicContact CG-CD2 3.54Å; Q372-L424 HydrophobicContact CG-CG 4.09Å; E373-L424 HydrophobicContact CG-CD1 3.97Å; K376-L424 HydrophobicContact CD-CD2 4.05Å; K376-L424 VanDerWaalsContact NZ-CD2 3.33Å; I422-L424 HydrophobicContact CG2-CD2 3.69Å; I422-L424 HydrophobicContact CG2-CG 3.88Å; I422-L424 PolarHBondContact O-N 3.2Å
425Y89.3Confident71.3Confident16 Ų1665.2 Ų65.26%0.06334%0.344CS..EExtended strand (participates in β ladder)trans-130.2138.2175.4-64.7-71.4000108.1L312 R313 A314 F316 F335 L341 W352 P367 I369L312-Y425 HydrophobicContact CB-CD1 4.35Å; L312-Y425 HydrophobicContact CD1-CD1 4.37Å; L312-Y425 HydrophobicContact CD1-CG 4.16Å; R313-Y425 WeakPolarHBondContact O-CA 3.19Å; A314-Y425 HydrophobicContact CB-CD1 4.1Å; A314-Y425 HydrophobicContact CB-CE1 3.91Å; F316-Y425 HydrophobicContact CE1-CD2 4.4Å; F316-Y425 AromaticContact CE1-CE1 3.95Å; F316-Y425 HydrophobicContact CE1-CE1 3.95Å; F316-Y425 AromaticContact CE1-CE2 3.83Å; F316-Y425 HydrophobicContact CE1-CE2 3.83Å; F316-Y425 AromaticContact CE1-CZ 3.6Å; F316-Y425 HydrophobicContact CZ-CE1 4.33Å; F316-Y425 HydrophobicContact CZ-CE2 4.04Å; F316-Y425 AromaticContact CZ-CZ 3.66Å; F316-Y425 WeakPolarHBondContact CZ-OH 3.39Å; F335-Y425 HydrophobicContact CE2-CE1 4.4Å; F335-Y425 HydrophobicContact CZ-CE1 4.1Å; F335-Y425 WeakPolarHBondContact CZ-OH 3.48Å; L341-Y425 HydrophobicContact CD1-CE1 3.94Å; W352-Y425 HydrophobicContact CZ3-CD2 4.3Å; P367-Y425 VanDerWaalsContact O-CE2 3.27Å; P367-Y425 WeakPolarHBondContact O-CE2 3.5Å; P367-Y425 PolarHBondContact O-OH 2.95Å; I369-Y425 HydrophobicContact CG1-CD2 3.83Å
426E89.5Confident73Confident13 Ų1360.5 Ų60.56%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-114.1128.9169.7175.3171.7-121.100109.3L312 R313 H315 V423 V428 R543 P633L312-E426 CarbonylContact C-O 3.45Å; L312-E426 VanDerWaalsContact CA-O 3.3Å; L312-E426 WeakPolarHBondContact CA-O 3.33Å; R313-E426 PolarHBondContact N-O 2.86Å; R313-E426 PolarHBondContact O-N 2.87Å; H315-E426 WeakPolarHBondContact NE2-CB 3.48Å; H315-E426 IonicContact NE2-OE2 2.75Å; V423-E426 HydrophobicContact CG1-CB 4.43Å; E426-V428 HydrophobicContact CG-CG1 4.27Å; E426-V428 PolarHBondContact O-N 2.71Å; E426-R543 IonicContact OE1-CZ 2.98Å; E426-R543 IonicContact OE1-NE 3.79Å; E426-R543 PolarHBondContact OE1-NE 3.22Å; E426-R543 IonicContact OE1-NH2 2.64Å; E426-R543 PolarHBondContact OE1-NH2 3.12Å; E426-R543 IonicContact OE2-CZ 2.76Å; E426-R543 IonicContact OE2-NH2 2.77Å; E426-R543 PolarHBondContact OE2-NH2 2.97Å; E426-P633 VanDerWaalsContact CD-CG 3.46Å; E426-P633 HydrophobicContact CG-CB 4.28Å; E426-P633 VanDerWaalsContact OE1-CB 3.31Å; E426-P633 WeakPolarHBondContact OE1-CB 3.47Å; E426-P633 WeakPolarHBondContact OE1-CG 3.48Å
427E91Very high75Confident96 Ų9657.4 Ų57.445%0.44930%0.303SS..EExtended strand (participates in β ladder)trans-67127.6170.9-172.7-179.3166.200110.1L310 F311 L312 P633 A634L310-E427 HydrophobicContact CD1-CG 3.62Å; F311-E427 WeakPolarHBondContact O-CA 3.37Å; L312-E427 HydrophobicContact CD2-CB 4.04Å; L312-E427 HydrophobicContact CD2-CG 4.43Å; E427-P633 CarbonylContact O-C 3.57Å; E427-P633 WeakPolarHBondContact O-CA 3.39Å; E427-A634 HydrophobicContact CB-CB 4.27Å; E427-A634 HydrophobicContact CG-CB 3.71Å; E427-A634 PolarHBondContact O-N 3.44Å
428V91.2Very high77.2Confident4 Ų453.1 Ų53.12%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-126.6148.4-176.9-66.50000111.6F311 R313 I340 E426 W631 V632F311-V428 HydrophobicContact CB-CG2 4.09Å; F311-V428 WeakPolarHBondContact CB-O 3.37Å; F311-V428 PolarHBondContact O-N 2.93Å; R313-V428 HydrophobicContact CB-CG1 3.78Å; R313-V428 HydrophobicContact CB-CG2 4.38Å; I340-V428 HydrophobicContact CD1-CG2 4.25Å; I340-V428 HydrophobicContact CG2-CG2 4.22Å; E426-V428 HydrophobicContact CG-CG1 4.27Å; E426-V428 PolarHBondContact O-N 2.71Å; V428-W631 HydrophobicContact CB-CE3 3.9Å; V428-W631 HydrophobicContact CG2-CD2 4.29Å; V428-W631 HydrophobicContact CG2-CE3 3.52Å; V428-W631 HydrophobicContact CG2-CZ3 3.94Å; V428-V632 CarbonylContact C-O 3.56Å; V428-V632 WeakPolarHBondContact CA-O 3.25Å; V428-V632 WeakPolarHBondContact CB-O 3.49Å
429A85.5Confident79.6Confident22 Ų2246.9 Ų46.918%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-120.8144172.700000109.5V632 A634 L637A429-V632 PolarHBondContact N-O 3.4Å; A429-V632 WeakPolarHBondContact O-CG2 3.43Å; A429-V632 PolarHBondContact O-N 3.36Å; A429-A634 HydrophobicContact CB-CB 4.26Å; A429-L637 HydrophobicContact CB-CD1 3.55Å
430M84Confident81.9Confident107 Ų10744.7 Ų44.753%0.52724%0.24SC..EExtended strand (participates in β ladder)trans-86.8125174.3-170.2169.664.500109P629 W631M430-P629 HydrophobicContact CG-CB 3.89Å; M430-P629 HydrophobicContact SD-CB 4.01Å; M430-W631 HydrophobicContact CB-CD2 4.28Å; M430-W631 HydrophobicContact CB-CE3 3.99Å; M430-W631 HydrophobicContact CB-CH2 3.83Å; M430-W631 HydrophobicContact CB-CZ2 4.07Å; M430-W631 HydrophobicContact CB-CZ3 3.78Å; M430-W631 HydrophobicContact CG-CZ2 4.41Å; M430-W631 HydrophobicContact SD-CZ2 4.1Å
431V76.1Confident84.1Confident34 Ų3438 Ų3821%0.20621%0.211CC..EExtended strand (participates in β ladder)trans-117.5147.1178.4-178.20000108.4F434 P629 Q630 V632 L637V431-F434 HydrophobicContact CG1-CD1 4.14Å; V431-F434 HydrophobicContact CG1-CE1 4.24Å; V431-P629 CarbonylContact O-C 3.59Å; V431-P629 VanDerWaalsContact O-CA 3.22Å; V431-P629 WeakPolarHBondContact O-CA 3.29Å; V431-Q630 PolarHBondContact N-O 3Å; V431-Q630 PolarHBondContact O-N 3.14Å; V431-V632 HydrophobicContact CB-CG2 4.48Å; V431-V632 HydrophobicContact CG2-CG2 3.5Å; V431-L637 HydrophobicContact CG2-CD1 3.71Å; V431-L637 HydrophobicContact CG2-CD2 4Å; V431-L637 HydrophobicContact CG2-CG 4.44Å
432S73.2Confident86.1Confident90 Ų9031.7 Ų31.763%0.62918%0.177SC*.  trans-57156.6172.353.40000111.5F434S432-F434 WeakPolarHBondContact O-CD1 3.38Å; S432-F434 PolarHBondContact O-N 2.97Å
433G77.1Confident87.7Confident22 Ų2229.1 Ų29.123%0.22717%0.165CC..SBendtrans-50.9134.4175.800000112.4L625 L626 E628G433-L625 CarbonylContact C-O 3.6Å; G433-L625 VanDerWaalsContact CA-O 3.3Å; G433-L625 WeakPolarHBondContact CA-O 3.24Å; G433-L626 CarbonylContact C-O 3.51Å; G433-L626 VanDerWaalsContact C-O 3.25Å; G433-E628 WeakPolarHBondContact CA-O 3.45Å; G433-E628 PolarHBondContact N-O 2.93Å
434F82.8Confident88.7Confident49 Ų4926.8 Ų26.822%0.21515%0.151CC..  trans-157.2158.6-17977.3-79.6000111.1V431 S432 R436 M548 L625 Q630 V632V431-F434 HydrophobicContact CG1-CD1 4.14Å; V431-F434 HydrophobicContact CG1-CE1 4.24Å; S432-F434 WeakPolarHBondContact O-CD1 3.38Å; S432-F434 PolarHBondContact O-N 2.97Å; F434-R436 VanDerWaalsContact CZ-CZ 3.48Å; F434-R436 PolarHBondContact O-N 3.42Å; F434-M548 HydrophobicContact CE2-CE 4.39Å; F434-M548 HydrophobicContact CZ-CE 3.86Å; F434-L625 PolarHBondContact N-O 3.48Å; F434-L625 VanDerWaalsContact O-O 3.06Å; F434-Q630 PolarHBondContact O-NE2 2.92Å; F434-V632 HydrophobicContact CE1-CG1 4.39Å; F434-V632 HydrophobicContact CZ-CG1 4.41Å
435Q83.3Confident88.9Confident67 Ų6730.6 Ų30.631%0.31318%0.176SC..  trans-76.9122.9175.4-177.5162.2-63.300111T529 L626Q435-T529 VanDerWaalsContact CD-OG1 3.26Å; Q435-T529 WeakPolarHBondContact CG-OG1 3.4Å; Q435-T529 PolarHBondContact NE2-OG1 3.47Å; Q435-T529 VanDerWaalsContact NE2-OG1 3.1Å; Q435-L626 HydrophobicContact CB-CD2 3.6Å; Q435-L626 HydrophobicContact CG-CD2 4.25Å
436R89.8Confident88.6Confident6 Ų632.6 Ų32.62%0.02320%0.202CC..  trans-66.7132.9173.9-68.7-80.1179.5-174.41.1110.5F434 V438 I439 T529 M548 Y550 L625 W636F434-R436 VanDerWaalsContact CZ-CZ 3.48Å; F434-R436 PolarHBondContact O-N 3.42Å; R436-V438 VanDerWaalsContact C-N 3.32Å; R436-I439 HydrophobicContact CB-CG1 4.41Å; R436-T529 WeakPolarHBondContact O-CB 3.39Å; R436-T529 WeakPolarHBondContact O-CG2 3.46Å; R436-T529 PolarHBondContact O-OG1 3.04Å; R436-M548 WeakPolarHBondContact CD-O 3.47Å; R436-Y550 HydrophobicContact CG-CG 4.39Å; R436-L625 HydrophobicContact CG-CD1 4.15Å; R436-W636 VanDerWaalsContact NH1-CZ3 3.35Å
437P92.2Very high88.6Confident24 Ų2432.6 Ų32.616%0.15620%0.202CC..SBendtrans-69-33.1177.922.4-27.3000111.9V524 T529 C530 F547 M548P437-V524 HydrophobicContact CB-CB 4.44Å; P437-V524 HydrophobicContact CB-CG1 3.73Å; P437-V524 HydrophobicContact CB-CG2 3.79Å; P437-T529 CarbonylContact O-C 3.56Å; P437-T529 WeakPolarHBondContact O-CA 3.29Å; P437-C530 PolarHBondContact O-N 3.37Å; P437-F547 WeakPolarHBondContact CG-O 3.31Å; P437-M548 HydrophobicContact CG-CB 4.13Å
438V96.9Very high88.4Confident0 Ų028.9 Ų28.90%019%0.19CC..EExtended strand (participates in β ladder)trans-129.8135.5178.6-175.50000110.8R436 I520 V524 C530 L532 F547 P549 Y550R436-V438 VanDerWaalsContact C-N 3.32Å; V438-I520 HydrophobicContact CG2-CG2 3.63Å; V438-V524 HydrophobicContact CG2-CG2 4.31Å; V438-C530 WeakPolarHBondContact CA-O 3.47Å; V438-C530 HydrophobicContact CG2-CB 4.28Å; V438-L532 HydrophobicContact CG1-CD1 3.56Å; V438-L532 HydrophobicContact CG1-CG 4.16Å; V438-F547 WeakPolarHBondContact CB-O 3.35Å; V438-F547 HydrophobicContact CG2-CB 3.94Å; V438-F547 HydrophobicContact CG2-CD1 4.04Å; V438-F547 HydrophobicContact CG2-CG 4.44Å; V438-F547 WeakPolarHBondContact CG2-O 3.37Å; V438-P549 CarbonylContact O-C 3.47Å; V438-P549 WeakPolarHBondContact O-CA 3.47Å; V438-Y550 PolarHBondContact O-N 2.89Å
439I97.4Very high88.5Confident2 Ų231.1 Ų31.11%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-119.8123169.4-65.9164000107.9R436 L441 Y464 T529 C530 L531 L532 Y550 V552 L622R436-I439 HydrophobicContact CB-CG1 4.41Å; I439-L441 HydrophobicContact CG2-CD2 4.19Å; I439-Y464 HydrophobicContact CD1-CE1 4.03Å; I439-T529 HydrophobicContact CB-CG2 4.28Å; I439-T529 HydrophobicContact CD1-CG2 3.47Å; I439-T529 VanDerWaalsContact CD1-CG2 3.47Å; I439-T529 HydrophobicContact CG1-CG2 3.66Å; I439-C530 PolarHBondContact N-O 3.01Å; I439-L531 HydrophobicContact CB-CD2 3.79Å; I439-L531 HydrophobicContact CD1-CD2 4.06Å; I439-L531 HydrophobicContact CG2-CD2 3.87Å; I439-L532 PolarHBondContact O-N 2.75Å; I439-Y550 CarbonylContact C-O 3.58Å; I439-Y550 WeakPolarHBondContact CA-O 3.47Å; I439-V552 HydrophobicContact CG2-CG2 4.22Å; I439-L622 HydrophobicContact CD1-CD1 3.76Å; I439-L622 HydrophobicContact CD1-CD2 3.49Å; I439-L622 VanDerWaalsContact CD1-CD2 3.49Å; I439-L622 HydrophobicContact CD1-CG 4.18Å; I439-L622 HydrophobicContact CG1-CD2 4.2Å; I439-L622 HydrophobicContact CG2-CD2 4.46Å
440C97.5Very high88.7Confident0 Ų035.9 Ų35.90%021%0.211CC..EExtended strand (participates in β ladder)trans-100.9119.1179.2-61.30000109.9I442 L532 V539 L542 Y550 V551 V552C440-I442 HydrophobicContact CB-CD1 4.11Å; C440-I442 HydrophobicContact CB-CG1 4.28Å; C440-L532 CarbonylContact C-O 3.48Å; C440-L532 WeakPolarHBondContact CA-O 3.4Å; C440-V539 HydrophobicContact CB-CG2 4.38Å; C440-L542 VanDerWaalsContact SG-CD1 3.55Å; C440-Y550 PolarHBondContact N-O 3.48Å; C440-V551 HydrophobicContact CB-CG2 4.47Å; C440-V552 PolarHBondContact O-N 3.07Å
441L97.3Very high89.1Confident0 Ų033.6 Ų33.60%021%0.206CC..EExtended strand (participates in β ladder)trans-92.9103.2170.7-56.1-174.9000109.1I439 R449 L452 R453 L532 V552 L618I439-L441 HydrophobicContact CG2-CD2 4.19Å; L441-R449 HydrophobicContact CB-CB 4.46Å; L441-R449 WeakPolarHBondContact O-CD 3.39Å; L441-L452 HydrophobicContact CD1-CB 4.35Å; L441-R453 HydrophobicContact CD1-CB 3.88Å; L441-L532 PolarHBondContact N-O 2.76Å; L441-V552 HydrophobicContact CD2-CB 3.97Å; L441-V552 HydrophobicContact CD2-CG1 4.34Å; L441-V552 HydrophobicContact CD2-CG2 4.43Å; L441-L618 HydrophobicContact CD2-CD2 3.93Å
442I96.3Very high89.9Confident1 Ų132.1 Ų32.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-105153.8-178.8-50.6-57.5000109.8C440 C534 I536 V539 V551 V552 F553 L554 I594C440-I442 HydrophobicContact CB-CD1 4.11Å; C440-I442 HydrophobicContact CB-CG1 4.28Å; I442-C534 VanDerWaalsContact CD1-O 3.28Å; I442-C534 WeakPolarHBondContact CD1-O 3.4Å; I442-C534 VanDerWaalsContact CD1-SG 3.59Å; I442-I536 HydrophobicContact CG1-CD1 4.49Å; I442-I536 HydrophobicContact CG2-CB 3.84Å; I442-I536 HydrophobicContact CG2-CD1 3.89Å; I442-I536 HydrophobicContact CG2-CG1 4.37Å; I442-V539 HydrophobicContact CD1-CG2 3.52Å; I442-V539 HydrophobicContact CG1-CG2 3.75Å; I442-V551 HydrophobicContact CG1-CG1 3.86Å; I442-V552 PolarHBondContact N-O 3.12Å; I442-F553 HydrophobicContact CB-CD2 4.45Å; I442-F553 HydrophobicContact CG2-CD2 4.29Å; I442-F553 CarbonylContact O-C 3.58Å; I442-F553 WeakPolarHBondContact O-CA 3.26Å; I442-L554 PolarHBondContact O-N 2.91Å; I442-I594 HydrophobicContact CG2-CG2 4.35Å
443G94.3Very high90.9Very high7 Ų729.3 Ų29.37%0.07217%0.172CC..EExtended strand (participates in β ladder)trans158.6166.3-178.800000111.5R449G443-R449 PolarHBondContact O-NE 2.93Å
444A93.9Very high91.7Very high0 Ų030.4 Ų30.40%017%0.173CC..SBendtrans-60.8151.6178.200000111.7G446 V447 T587 T590A444-G446 PolarHBondContact O-N 3.48Å; A444-V447 HydrophobicContact CB-CG1 4Å; A444-V447 WeakPolarHBondContact O-CG1 3.37Å; A444-V447 VanDerWaalsContact O-CG2 3.26Å; A444-V447 WeakPolarHBondContact O-CG2 3.44Å; A444-V447 PolarHBondContact O-N 2.86Å; A444-T587 HydrophobicContact CB-CG2 3.76Å; A444-T587 WeakPolarHBondContact CB-O 3.45Å; A444-T590 HydrophobicContact CB-CG2 4.02Å
445P87.9Confident92.3Very high83 Ų8330.5 Ų30.554%0.53918%0.175SC..THydrogen-bonded Turntrans-56.2128.2173.2-24.234.2000111.1T587P445-T587 PolarHBondContact O-OG1 3.41Å
446G83.1Confident92.9Very high58 Ų5827.3 Ų27.360%0.59816%0.16SC*.THydrogen-bonded Turntrans96.9-4.8178.100000116.5A444 G448A444-G446 PolarHBondContact O-N 3.48Å; G446-G448 PolarHBondContact O-N 3.22Å
447V89Confident93.2Very high12 Ų1228.7 Ų28.77%0.07317%0.167CC..SBendtrans-74-4.9178.4-57.60000114.6A444 R449 L554 A556 T587 C608A444-V447 HydrophobicContact CB-CG1 4Å; A444-V447 WeakPolarHBondContact O-CG1 3.37Å; A444-V447 VanDerWaalsContact O-CG2 3.26Å; A444-V447 WeakPolarHBondContact O-CG2 3.44Å; A444-V447 PolarHBondContact O-N 2.86Å; V447-R449 HydrophobicContact CG2-CG 3.79Å; V447-L554 HydrophobicContact CG2-CB 3.83Å; V447-L554 HydrophobicContact CG2-CD1 4.38Å; V447-A556 HydrophobicContact CG1-CB 3.85Å; V447-T587 HydrophobicContact CG1-CG2 3.75Å; V447-C608 PolarHBondContact O-SG 3.2Å
448G87.1Confident93.3Very high19 Ų1936.2 Ų36.220%0.19619%0.193CC..SBendtrans100.915.5176.300000116.3G446 R450 S451 L452G446-G448 PolarHBondContact O-N 3.22Å; G448-R450 PolarHBondContact O-N 3.01Å; G448-S451 WeakPolarHBondContact O-CB 3.46Å; G448-S451 PolarHBondContact O-N 2.82Å; G448-S451 VanDerWaalsContact O-N 3.11Å; G448-L452 PolarHBondContact O-N 3.15Å
449R93.1Very high93.2Very high51 Ų5139.3 Ų39.319%0.19222%0.218CC..Hα-helixtrans-48.1-52.7178-59.9178.3-64.3117.34.4113.3L441 G443 V447 S451 L452 R453 D533 C534 L554L441-R449 HydrophobicContact CB-CB 4.46Å; L441-R449 WeakPolarHBondContact O-CD 3.39Å; G443-R449 PolarHBondContact O-NE 2.93Å; V447-R449 HydrophobicContact CG2-CG 3.79Å; R449-S451 PolarHBondContact O-N 3.04Å; R449-L452 PolarHBondContact O-N 3.43Å; R449-R453 WeakPolarHBondContact O-CB 3.35Å; R449-R453 PolarHBondContact O-N 2.77Å; R449-D533 HydrophobicContact CB-CB 3.96Å; R449-D533 PolarHBondContact NH1-O 2.95Å; R449-C534 PolarHBondContact NH1-O 2.74Å; R449-C534 VanDerWaalsContact NH1-O 3.1Å; R449-L554 HydrophobicContact CB-CD1 4.44Å; R449-L554 HydrophobicContact CG-CD1 3.9Å
450R91.1Very high93Very high121 Ų12142.2 Ų42.246%0.45723%0.234SC..Hα-helixtrans-60.2-44.5178178.6168.3-173.7-176.22.5112.2G448 R453 N454 E484 D533G448-R450 PolarHBondContact O-N 3.01Å; R450-R453 PolarHBondContact O-N 3.36Å; R450-N454 WeakPolarHBondContact O-CB 3.41Å; R450-N454 VanDerWaalsContact O-CG 3.24Å; R450-N454 PolarHBondContact O-N 2.95Å; R450-N454 PolarHBondContact O-OD1 3.22Å; R450-E484 IonicContact CZ-OE1 3.98Å; R450-E484 IonicContact CZ-OE2 3.9Å; R450-E484 IonicContact NH2-OE1 2.79Å; R450-E484 PolarHBondContact NH2-OE1 2.88Å; R450-E484 IonicContact NH2-OE2 2.73Å; R450-E484 PolarHBondContact NH2-OE2 3.31Å; R450-D533 WeakPolarHBondContact CA-OD2 3.22Å; R450-D533 WeakPolarHBondContact CB-OD2 3.5Å
451S90.7Very high92.8Very high60 Ų6050.9 Ų50.942%0.4227%0.267SS..Hα-helixtrans-62.7-46.3179.6-56.30000111.2G448 R449 N454 M455G448-S451 WeakPolarHBondContact O-CB 3.46Å; G448-S451 PolarHBondContact O-N 2.82Å; G448-S451 VanDerWaalsContact O-N 3.11Å; R449-S451 PolarHBondContact O-N 3.04Å; S451-N454 PolarHBondContact O-N 3.41Å; S451-M455 VanDerWaalsContact O-CG 3.28Å; S451-M455 WeakPolarHBondContact O-CG 3.45Å; S451-M455 PolarHBondContact O-N 2.64Å
452L93.5Very high92.5Very high2 Ų259.2 Ų59.21%0.0131%0.306CS..Hα-helixtrans-64.2-43.4179.2-167.763.4000112.1L441 G448 R449 N454 M455 L456 L554 T614 F615 L618L441-L452 HydrophobicContact CD1-CB 4.35Å; G448-L452 PolarHBondContact O-N 3.15Å; R449-L452 PolarHBondContact O-N 3.43Å; L452-N454 PolarHBondContact O-N 3.45Å; L452-M455 PolarHBondContact O-N 3.36Å; L452-L456 WeakPolarHBondContact O-CG 3.32Å; L452-L456 PolarHBondContact O-N 3.02Å; L452-L554 HydrophobicContact CD2-CD1 3.71Å; L452-L554 HydrophobicContact CD2-CD2 3.73Å; L452-L554 HydrophobicContact CD2-CG 4.35Å; L452-T614 HydrophobicContact CD2-CG2 4.07Å; L452-F615 HydrophobicContact CD1-CB 3.7Å; L452-F615 HydrophobicContact CD1-CD2 4.27Å; L452-L618 HydrophobicContact CD1-CD2 4.48Å; L452-L618 HydrophobicContact CD2-CD2 3.46Å; L452-L618 VanDerWaalsContact CD2-CD2 3.46Å; L452-L618 HydrophobicContact CG-CD2 3.88Å
453R95.3Very high92.4Very high31 Ų3160.2 Ų60.212%0.11731%0.309CS..Hα-helixtrans-54.4-50.9171.3173.7-178.565.2-179.5-16.4111.4L441 R449 R450 M455 L456 I457 S466 L531 D533L441-R453 HydrophobicContact CD1-CB 3.88Å; R449-R453 WeakPolarHBondContact O-CB 3.35Å; R449-R453 PolarHBondContact O-N 2.77Å; R450-R453 PolarHBondContact O-N 3.36Å; R453-M455 VanDerWaalsContact C-N 3.3Å; R453-M455 PolarHBondContact O-N 3.41Å; R453-L456 PolarHBondContact O-N 3.5Å; R453-I457 HydrophobicContact CG-CD1 3.85Å; R453-I457 WeakPolarHBondContact O-CG1 3.22Å; R453-I457 PolarHBondContact O-N 3.41Å; R453-S466 WeakPolarHBondContact CD-OG 3.27Å; R453-S466 PolarHBondContact NH1-OG 3.08Å; R453-L531 WeakPolarHBondContact CD-O 3.49Å; R453-L531 HydrophobicContact CG-CB 3.88Å; R453-L531 HydrophobicContact CG-CD1 4.47Å; R453-D533 IonicContact CZ-OD1 3.74Å; R453-D533 IonicContact CZ-OD2 2.95Å; R453-D533 IonicContact NE-OD1 3.29Å; R453-D533 IonicContact NE-OD2 3.86Å; R453-D533 VanDerWaalsContact NH1-CG 3.34Å; R453-D533 IonicContact NH1-OD1 2.81Å; R453-D533 PolarHBondContact NH1-OD1 2.82Å; R453-D533 IonicContact NH1-OD2 2.78Å; R453-D533 VanDerWaalsContact NH2-CG 3.25Å; R453-D533 IonicContact NH2-OD1 3.02Å; R453-D533 PolarHBondContact NH2-OD1 3.46Å; R453-D533 IonicContact NH2-OD2 3.22Å; R453-D533 PolarHBondContact NH2-OD2 3.27Å
454N93.7Very high92.5Very high45 Ų4560 Ų6024%0.24131%0.306CS..Hα-helixtrans-65.3-36-177.3-71.7-4.9000111.8R450 S451 L452 R458R450-N454 WeakPolarHBondContact O-CB 3.41Å; R450-N454 VanDerWaalsContact O-CG 3.24Å; R450-N454 PolarHBondContact O-N 2.95Å; R450-N454 PolarHBondContact O-OD1 3.22Å; S451-N454 PolarHBondContact O-N 3.41Å; L452-N454 PolarHBondContact O-N 3.45Å; N454-R458 WeakPolarHBondContact O-CB 3.45Å; N454-R458 WeakPolarHBondContact O-CG 3.36Å; N454-R458 PolarHBondContact O-N 2.94Å
455M95Very high92.6Very high51 Ų5160.3 Ų60.325%0.25131%0.309SS..Hα-helixtrans-62.8-45.5173.2-70.2168.969.700111.7S451 L452 R453 R458 A459 I611 F615S451-M455 VanDerWaalsContact O-CG 3.28Å; S451-M455 WeakPolarHBondContact O-CG 3.45Å; S451-M455 PolarHBondContact O-N 2.64Å; L452-M455 PolarHBondContact O-N 3.36Å; R453-M455 VanDerWaalsContact C-N 3.3Å; R453-M455 PolarHBondContact O-N 3.41Å; M455-R458 PolarHBondContact O-N 2.84Å; M455-A459 WeakPolarHBondContact O-CB 3.43Å; M455-A459 PolarHBondContact O-N 3Å; M455-I611 HydrophobicContact SD-CD1 3.88Å; M455-I611 HydrophobicContact SD-CG1 3.84Å; M455-F615 HydrophobicContact CB-CD2 3.67Å; M455-F615 HydrophobicContact CB-CE2 3.86Å; M455-F615 HydrophobicContact CB-CG 4.45Å; M455-F615 HydrophobicContact CE-CB 3.64Å; M455-F615 HydrophobicContact CE-CD1 4.21Å; M455-F615 HydrophobicContact CE-CD2 4.08Å; M455-F615 HydrophobicContact CE-CG 3.7Å
456L96.1Very high92.9Very high0 Ų057.9 Ų57.90%029%0.294CS..Hα-helixtrans-60.9-46176.2-72.6168.3000112.6L452 R453 R458 A459 N460 Y464 L531 F615 L618 N619 L622L452-L456 WeakPolarHBondContact O-CG 3.32Å; L452-L456 PolarHBondContact O-N 3.02Å; R453-L456 PolarHBondContact O-N 3.5Å; L456-R458 PolarHBondContact O-N 3.34Å; L456-A459 PolarHBondContact O-N 3.15Å; L456-N460 PolarHBondContact O-N 3.17Å; L456-N460 VanDerWaalsContact O-N 3.09Å; L456-Y464 HydrophobicContact CB-CD2 4.34Å; L456-Y464 HydrophobicContact CD2-CE2 4.44Å; L456-Y464 WeakPolarHBondContact O-CD2 3.43Å; L456-L531 HydrophobicContact CB-CD1 3.59Å; L456-L531 HydrophobicContact CD1-CD1 4.07Å; L456-L531 HydrophobicContact CD1-CD2 3.96Å; L456-F615 HydrophobicContact CD2-CD2 4.15Å; L456-F615 HydrophobicContact CD2-CE2 3.83Å; L456-F615 HydrophobicContact CG-CD2 4.28Å; L456-F615 HydrophobicContact CG-CE2 4.14Å; L456-L618 HydrophobicContact CD1-CD2 3.72Å; L456-L618 HydrophobicContact CD1-CG 4.32Å; L456-N619 HydrophobicContact CD2-CB 4.44Å; L456-L622 HydrophobicContact CD1-CD1 4.17Å; L456-L622 HydrophobicContact CD2-CD1 4.21Å
457I95.4Very high93.5Very high35 Ų3555.6 Ų55.618%0.17927%0.27CS..Hα-helixtrans-62.7-44.3177.6-64.1171.3000110.7R453 A459 N460 R461 L531R453-I457 HydrophobicContact CG-CD1 3.85Å; R453-I457 WeakPolarHBondContact O-CG1 3.22Å; R453-I457 PolarHBondContact O-N 3.41Å; I457-A459 VanDerWaalsContact C-N 3.31Å; I457-A459 PolarHBondContact O-N 3.27Å; I457-N460 CarbonylContact O-C 3.49Å; I457-N460 PolarHBondContact O-N 3.48Å; I457-R461 WeakPolarHBondContact O-CA 3.41Å; I457-R461 WeakPolarHBondContact O-CG 3.02Å; I457-R461 PolarHBondContact O-N 3.28Å; I457-R461 VanDerWaalsContact O-N 3.14Å; I457-L531 HydrophobicContact CD1-CD1 4.47Å; I457-L531 HydrophobicContact CG1-CD1 3.74Å
458R95.1Very high93.7Very high182 Ų18258.3 Ų58.369%0.68728%0.283SS*.Hα-helixtrans-63.8-37.2178.2-74.3172.1-172.6177.21.8112.3N454 M455 L456N454-R458 WeakPolarHBondContact O-CB 3.45Å; N454-R458 WeakPolarHBondContact O-CG 3.36Å; N454-R458 PolarHBondContact O-N 2.94Å; M455-R458 PolarHBondContact O-N 2.84Å; L456-R458 PolarHBondContact O-N 3.34Å
459A95.1Very high94Very high65 Ų6558.2 Ų58.254%0.53728%0.28SS..Hα-helixtrans-69.3-36.1179.400000112.8M455 L456 I457 F615M455-A459 WeakPolarHBondContact O-CB 3.43Å; M455-A459 PolarHBondContact O-N 3Å; L456-A459 PolarHBondContact O-N 3.15Å; I457-A459 VanDerWaalsContact C-N 3.31Å; I457-A459 PolarHBondContact O-N 3.27Å; A459-F615 HydrophobicContact CB-CE2 4.22Å; A459-F615 HydrophobicContact CB-CZ 3.74Å
460N92.4Very high94.1Very high64 Ų6456.8 Ų56.834%0.34228%0.275SS..  trans-14885.7178-168.6-19.5000112.2L456 I457 E462 R463 Y464L456-N460 PolarHBondContact O-N 3.17Å; L456-N460 VanDerWaalsContact O-N 3.09Å; I457-N460 CarbonylContact O-C 3.49Å; I457-N460 PolarHBondContact O-N 3.48Å; N460-E462 VanDerWaalsContact C-N 3.27Å; N460-E462 PolarHBondContact O-N 2.95Å; N460-E462 PolarHBondContact OD1-N 3.35Å; N460-R463 HydrophobicContact CB-CB 4.23Å; N460-R463 VanDerWaalsContact CG-CB 3.44Å; N460-R463 WeakPolarHBondContact ND2-CB 3.39Å; N460-R463 PolarHBondContact O-N 3.18Å; N460-R463 WeakPolarHBondContact OD1-CB 3.34Å; N460-R463 PolarHBondContact OD1-N 3.3Å; N460-Y464 HydrophobicContact CB-CD2 4.11Å; N460-Y464 HydrophobicContact CB-CE2 4.41Å; N460-Y464 PolarHBondContact O-N 2.87Å
461R93.6Very high94.3Very high181 Ų18151.3 Ų51.368%0.68326%0.255SS*.THydrogen-bonded Turntrans-69-23.4-179.5-65.4-175.6-177.5-174.6-0.2113.9I457I457-R461 WeakPolarHBondContact O-CA 3.41Å; I457-R461 WeakPolarHBondContact O-CG 3.02Å; I457-R461 PolarHBondContact O-N 3.28Å; I457-R461 VanDerWaalsContact O-N 3.14Å
462E92.1Very high94.4Very high176 Ų17649 Ų4982%0.82224%0.239SC*.THydrogen-bonded Turntrans-76.1-31.1177.8-64.9-173176.400111.4N460 R528N460-E462 VanDerWaalsContact C-N 3.27Å; N460-E462 PolarHBondContact O-N 2.95Å; N460-E462 PolarHBondContact OD1-N 3.35Å; E462-R528 VanDerWaalsContact O-CG 3.31Å; E462-R528 WeakPolarHBondContact O-CG 3.12Å
463R93.2Very high94.3Very high21 Ų2152 Ų528%0.07925%0.252CS..THydrogen-bonded Turntrans-90.8-38.9178.8-172.9177.2-180-158-6.9113N460 R528 T529 L622 N623N460-R463 HydrophobicContact CB-CB 4.23Å; N460-R463 VanDerWaalsContact CG-CB 3.44Å; N460-R463 WeakPolarHBondContact ND2-CB 3.39Å; N460-R463 PolarHBondContact O-N 3.18Å; N460-R463 WeakPolarHBondContact OD1-CB 3.34Å; N460-R463 PolarHBondContact OD1-N 3.3Å; R463-R528 CarbonylContact O-C 3.33Å; R463-R528 WeakPolarHBondContact O-CA 3.25Å; R463-R528 WeakPolarHBondContact O-CB 3.44Å; R463-T529 PolarHBondContact O-N 2.87Å; R463-L622 PolarHBondContact NH2-O 2.86Å; R463-N623 PolarHBondContact NH1-OD1 2.91Å
464Y96.6Very high93.9Very high2 Ų258 Ų581%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-117.1140.4-169-61.8-57.9000112.7I439 L456 N460 T529 L531 L622I439-Y464 HydrophobicContact CD1-CE1 4.03Å; L456-Y464 HydrophobicContact CB-CD2 4.34Å; L456-Y464 HydrophobicContact CD2-CE2 4.44Å; L456-Y464 WeakPolarHBondContact O-CD2 3.43Å; N460-Y464 HydrophobicContact CB-CD2 4.11Å; N460-Y464 HydrophobicContact CB-CE2 4.41Å; N460-Y464 PolarHBondContact O-N 2.87Å; Y464-T529 HydrophobicContact CD1-CG2 4.19Å; Y464-T529 HydrophobicContact CE1-CG2 4.22Å; Y464-L531 HydrophobicContact CD1-CD1 3.9Å; Y464-L531 HydrophobicContact CD1-CD2 4.33Å; Y464-L531 HydrophobicContact CD1-CG 4Å; Y464-L531 HydrophobicContact CD2-CD1 4.47Å; Y464-L531 HydrophobicContact CG-CD1 3.78Å; Y464-L531 HydrophobicContact CG-CG 4.36Å; Y464-L622 HydrophobicContact CE1-CD1 4.5Å; Y464-L622 WeakPolarHBondContact OH-CB 3.41Å; Y464-L622 WeakPolarHBondContact OH-CD1 3.49Å
465A95.7Very high93.5Very high8 Ų860 Ų607%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-145.6159.2167.400000110.4V523 T529 C530 L531A465-V523 HydrophobicContact CB-CG1 3.84Å; A465-V523 HydrophobicContact CB-CG2 4.26Å; A465-T529 PolarHBondContact N-O 2.91Å; A465-T529 VanDerWaalsContact N-O 3.13Å; A465-C530 CarbonylContact O-C 3.6Å; A465-C530 WeakPolarHBondContact O-CA 3.02Å; A465-L531 PolarHBondContact O-N 2.89Å
466S95Very high92.8Very high32 Ų3261.8 Ų61.822%0.22430%0.302CS..PPolyproline II helixtrans-96152.6170.2-152.50000110.3R453 L531R453-S466 WeakPolarHBondContact CD-OG 3.27Å; R453-S466 PolarHBondContact NH1-OG 3.08Å; S466-L531 PolarHBondContact OG-O 3.35Å
467A94.4Very high91.9Very high10 Ų1069.3 Ų69.38%0.08335%0.348CS..PPolyproline II helixtrans-69.3133169.500000109.4A469 T515 I520 L532A467-A469 PolarHBondContact O-N 3.43Å; A467-T515 HydrophobicContact CB-CG2 3.75Å; A467-I520 HydrophobicContact CB-CG1 3.96Å; A467-L532 HydrophobicContact CB-CD2 3.71Å
468I93Very high91.1Very high69 Ų6971.4 Ų71.435%0.35438%0.378SS..PPolyproline II helixtrans-66.8131.7175.5-57.4170.5000108.4I486 S519I468-I486 HydrophobicContact CB-CD1 4.34Å; I468-I486 HydrophobicContact CG2-CD1 3.58Å; I468-I486 HydrophobicContact CG2-CG1 3.64Å; I468-S519 WeakPolarHBondContact O-CB 3.37Å; I468-S519 PolarHBondContact O-OG 2.94Å
469A93.9Very high90.2Very high16 Ų1667.2 Ų67.213%0.13237%0.366CS..EExtended strand (participates in β ladder)trans-92.3160.5176.500000110.6A467 F485 I486A467-A469 PolarHBondContact O-N 3.43Å; A469-F485 HydrophobicContact CB-CD1 3.53Å; A469-F485 HydrophobicContact CB-CE1 3.56Å; A469-F485 CarbonylContact O-C 3.57Å; A469-F485 VanDerWaalsContact O-CA 3.25Å; A469-F485 WeakPolarHBondContact O-CA 3.38Å; A469-I486 PolarHBondContact O-N 3.33Å
470Y95.2Very high89.1Confident21 Ų2172.1 Ų72.18%0.08238%0.378CS..EExtended strand (participates in β ladder)trans-112144.1177.5-66.6-101.7000109.4I486 E488 Y502 Y513 G514 K516 S519Y470-I486 CarbonylContact C-O 3.57Å; Y470-I486 VanDerWaalsContact CA-O 3.26Å; Y470-I486 WeakPolarHBondContact CA-O 3.41Å; Y470-I486 HydrophobicContact CD1-CB 3.79Å; Y470-I486 HydrophobicContact CD1-CG2 3.81Å; Y470-I486 HydrophobicContact CE1-CB 3.85Å; Y470-I486 HydrophobicContact CE1-CD1 4.04Å; Y470-I486 HydrophobicContact CE1-CG2 3.7Å; Y470-I486 HydrophobicContact CG-CB 4.45Å; Y470-E488 VanDerWaalsContact CD1-CD 3.5Å; Y470-E488 HydrophobicContact CD1-CG 3.88Å; Y470-E488 HydrophobicContact CE1-CG 4.39Å; Y470-Y502 HydrophobicContact CD2-CE1 4.4Å; Y470-Y513 CarbonylContact O-C 3.45Å; Y470-Y513 VanDerWaalsContact O-CA 3.3Å; Y470-Y513 WeakPolarHBondContact O-CA 3.5Å; Y470-G514 PolarHBondContact N-O 3.19Å; Y470-G514 PolarHBondContact O-N 3.4Å; Y470-K516 HydrophobicContact CD2-CB 4.39Å; Y470-K516 HydrophobicContact CD2-CD 3.92Å; Y470-K516 HydrophobicContact CD2-CG 3.73Å; Y470-K516 HydrophobicContact CE1-CD 4.16Å; Y470-K516 HydrophobicContact CE2-CB 3.93Å; Y470-K516 HydrophobicContact CE2-CD 3.55Å; Y470-K516 HydrophobicContact CE2-CG 3.6Å; Y470-K516 HydrophobicContact CG-CD 4.4Å; Y470-S519 WeakPolarHBondContact CE2-OG 3.46Å
471T94.7Very high88.4Confident7 Ų774.2 Ų74.24%0.04339%0.389CS..EExtended strand (participates in β ladder)trans-135.1150.3177.2-174.20000111.3K473 F485 I486 V487 E488 M493 F512 Y513T471-K473 WeakPolarHBondContact OG1-CB 3.39Å; T471-K473 PolarHBondContact OG1-N 2.83Å; T471-F485 HydrophobicContact CG2-CB 3.63Å; T471-F485 HydrophobicContact CG2-CD1 4.49Å; T471-F485 HydrophobicContact CG2-CG 4.18Å; T471-I486 PolarHBondContact N-O 2.8Å; T471-V487 HydrophobicContact CG2-CG2 3.99Å; T471-V487 CarbonylContact O-C 3.45Å; T471-V487 VanDerWaalsContact O-CA 3.29Å; T471-V487 WeakPolarHBondContact O-CA 3.47Å; T471-E488 PolarHBondContact O-N 2.82Å; T471-M493 VanDerWaalsContact C-SD 3.53Å; T471-F512 CarbonylContact C-O 3.57Å; T471-F512 WeakPolarHBondContact CA-O 3.42Å; T471-Y513 WeakPolarHBondContact OG1-CE1 3.33Å
472S94.1Very high87.3Confident12 Ų1272 Ų728%0.08439%0.391CS..  trans-92.8-4.616580.10000113.6E474 E488 M493 N511 F512S472-E474 PolarHBondContact O-N 3.22Å; S472-E488 WeakPolarHBondContact CA-O 3.1Å; S472-M493 PolarHBondContact N-SD 3.01Å; S472-N511 PolarHBondContact O-OD1 3.02Å; S472-N511 VanDerWaalsContact OG-CA 3.31Å; S472-N511 WeakPolarHBondContact OG-CA 3.47Å; S472-N511 PolarHBondContact OG-OD1 3.32Å; S472-F512 PolarHBondContact N-O 2.88Å; S472-F512 PolarHBondContact OG-N 3.11Å
473K91.2Very high86.5Confident63 Ų6366 Ų6627%0.27438%0.377SS..PPolyproline II helixtrans-71118.4176.8-166.7-160.4173.7-1530108.5T471 D476 E479 N511T471-K473 WeakPolarHBondContact OG1-CB 3.39Å; T471-K473 PolarHBondContact OG1-N 2.83Å; K473-D476 WeakPolarHBondContact CE-OD2 3.5Å; K473-D476 IonicContact NZ-OD2 3.63Å; K473-D476 PolarHBondContact NZ-OD2 2.82Å; K473-E479 IonicContact NZ-OE1 3.8Å; K473-E479 IonicContact NZ-OE2 2.81Å; K473-E479 PolarHBondContact NZ-OE2 3Å; K473-N511 WeakPolarHBondContact CA-OD1 3.39Å; K473-N511 HydrophobicContact CB-CB 4.07Å; K473-N511 PolarHBondContact N-OD1 3.26Å
474E87.5Confident85.8Confident158 Ų15869 Ų6974%0.73839%0.392SS*.PPolyproline II helixtrans-71.4147168.4-63.8-177.317600109.6S472 D476S472-E474 PolarHBondContact O-N 3.22Å; E474-D476 PolarHBondContact O-N 3.01Å
475L83.5Confident85.5Confident87 Ų8772.7 Ų72.746%0.45541%0.408SS..PPolyproline II helixtrans-63.3131.6176.3-72.2163.2000109.6E479 D481L475-E479 HydrophobicContact CD2-CB 4.26Å; L475-D481 HydrophobicContact CD1-CB 3.85Å
476D81.1Confident85.3Confident88 Ų8875.5 Ų75.547%0.47142%0.421SS..PPolyproline II helixtrans-66.9152.5175.3-68-56.1000109.8K473 E474 G478 E479K473-D476 WeakPolarHBondContact CE-OD2 3.5Å; K473-D476 IonicContact NZ-OD2 3.63Å; K473-D476 PolarHBondContact NZ-OD2 2.82Å; E474-D476 PolarHBondContact O-N 3.01Å; D476-G478 PolarHBondContact O-N 2.99Å; D476-E479 HydrophobicContact CB-CG 3.9Å; D476-E479 PolarHBondContact N-OE2 2.87Å; D476-E479 VanDerWaalsContact N-OE2 3.15Å; D476-E479 PolarHBondContact O-N 2.88Å
477V77.8Confident85.2Confident159 Ų15977.4 Ų77.496%0.96443%0.431SS*.THydrogen-bonded Turntrans-62105.7-177.7-178.30000109.8
478G76.9Confident85.2Confident79 Ų7978 Ų7881%0.81443%0.433SS*.THydrogen-bonded Turntrans106.5-2.9-178.700000115.2D476D476-G478 PolarHBondContact O-N 2.99Å
479E76.3Confident85.3Confident94 Ų9478.3 Ų78.344%0.43944%0.441SS..  trans-73.9132.4167.9-72.7-175.4156.200110.1K473 L475 D476K473-E479 IonicContact NZ-OE1 3.8Å; K473-E479 IonicContact NZ-OE2 2.81Å; K473-E479 PolarHBondContact NZ-OE2 3Å; L475-E479 HydrophobicContact CD2-CB 4.26Å; D476-E479 HydrophobicContact CB-CG 3.9Å; D476-E479 PolarHBondContact N-OE2 2.87Å; D476-E479 VanDerWaalsContact N-OE2 3.15Å; D476-E479 PolarHBondContact O-N 2.88Å
480E72.9Confident85.4Confident167 Ų16781.9 Ų81.978%0.7845%0.454SS*.  trans-78.3139.4171.2-68.2-176.8176.900109.3D482E480-D482 PolarHBondContact O-N 2.57Å; E480-D482 VanDerWaalsContact O-N 3.09Å
481D76.8Confident85.4Confident108 Ų10884 Ų8458%0.57848%0.475SS*.  trans-72.8102.1173.3-175.67000109.4L475 G483L475-D481 HydrophobicContact CD1-CB 3.85Å; D481-G483 PolarHBondContact O-N 2.85Å; D481-G483 VanDerWaalsContact O-N 3.13Å; D481-G483 PolarHBondContact OD1-N 3.1Å
482D71.7Confident85.5Confident134 Ų13488.1 Ų88.172%0.71749%0.492SS*.  trans-67.1-5.8176.5-71.2-23000112.8E480 E484E480-D482 PolarHBondContact O-N 2.57Å; E480-D482 VanDerWaalsContact O-N 3.09Å; D482-E484 HydrophobicContact CB-CG 4.15Å; D482-E484 PolarHBondContact O-N 2.87Å
483G75.6Confident85.6Confident52 Ų5287.5 Ų87.554%0.53649%0.488SS..SBendtrans68.112.5-177.700000113.6D481D481-G483 PolarHBondContact O-N 2.85Å; D481-G483 VanDerWaalsContact O-N 3.13Å; D481-G483 PolarHBondContact OD1-N 3.1Å
484E78.8Confident85.8Confident84 Ų8489.5 Ų89.539%0.39350%0.499SS..SBendtrans-75.1-27.8177.8-69.7-161.415000112.2R450 D482R450-E484 IonicContact CZ-OE1 3.98Å; R450-E484 IonicContact CZ-OE2 3.9Å; R450-E484 IonicContact NH2-OE1 2.79Å; R450-E484 PolarHBondContact NH2-OE1 2.88Å; R450-E484 IonicContact NH2-OE2 2.73Å; R450-E484 PolarHBondContact NH2-OE2 3.31Å; D482-E484 HydrophobicContact CB-CG 4.15Å; D482-E484 PolarHBondContact O-N 2.87Å
485F88.6Confident86.2Confident78 Ų7886.7 Ų86.734%0.34249%0.487SS..EExtended strand (participates in β ladder)trans-133146.4-174.9-61.6-86.8000113.3A469 T471 Y513A469-F485 HydrophobicContact CB-CD1 3.53Å; A469-F485 HydrophobicContact CB-CE1 3.56Å; A469-F485 CarbonylContact O-C 3.57Å; A469-F485 VanDerWaalsContact O-CA 3.25Å; A469-F485 WeakPolarHBondContact O-CA 3.38Å; T471-F485 HydrophobicContact CG2-CB 3.63Å; T471-F485 HydrophobicContact CG2-CD1 4.49Å; T471-F485 HydrophobicContact CG2-CG 4.18Å; F485-Y513 HydrophobicContact CD1-CD1 4.36Å; F485-Y513 AromaticContact CE1-CD1 3.94Å; F485-Y513 HydrophobicContact CE1-CD1 3.94Å; F485-Y513 HydrophobicContact CE1-CE1 4.36Å; F485-Y513 HydrophobicContact CZ-CD1 4.49Å
486I92.3Very high86.8Confident67 Ų6783 Ų8334%0.34447%0.467SS..EExtended strand (participates in β ladder)trans-97.2120.7166.2-66.8165.1000108.6I468 A469 Y470 T471 E488I468-I486 HydrophobicContact CB-CD1 4.34Å; I468-I486 HydrophobicContact CG2-CD1 3.58Å; I468-I486 HydrophobicContact CG2-CG1 3.64Å; A469-I486 PolarHBondContact O-N 3.33Å; Y470-I486 CarbonylContact C-O 3.57Å; Y470-I486 VanDerWaalsContact CA-O 3.26Å; Y470-I486 WeakPolarHBondContact CA-O 3.41Å; Y470-I486 HydrophobicContact CD1-CB 3.79Å; Y470-I486 HydrophobicContact CD1-CG2 3.81Å; Y470-I486 HydrophobicContact CE1-CB 3.85Å; Y470-I486 HydrophobicContact CE1-CD1 4.04Å; Y470-I486 HydrophobicContact CE1-CG2 3.7Å; Y470-I486 HydrophobicContact CG-CB 4.45Å; T471-I486 PolarHBondContact N-O 2.8Å; I486-E488 HydrophobicContact CG2-CG 4.42Å
487V93.3Very high87.3Confident72 Ų7281.7 Ų81.744%0.43646%0.46SS..EExtended strand (participates in β ladder)trans-76.9125.8178.5-174.40000110.5T471T471-V487 HydrophobicContact CG2-CG2 3.99Å; T471-V487 CarbonylContact O-C 3.45Å; T471-V487 VanDerWaalsContact O-CA 3.29Å; T471-V487 WeakPolarHBondContact O-CA 3.47Å
488E94.2Very high88.1Confident23 Ų2381.2 Ų81.211%0.10745%0.451CS..  trans-132.8149.8174-74.9-169.415800111.6Y470 T471 S472 I486 K492 M493 K516Y470-E488 VanDerWaalsContact CD1-CD 3.5Å; Y470-E488 HydrophobicContact CD1-CG 3.88Å; Y470-E488 HydrophobicContact CE1-CG 4.39Å; T471-E488 PolarHBondContact O-N 2.82Å; S472-E488 WeakPolarHBondContact CA-O 3.1Å; I486-E488 HydrophobicContact CG2-CG 4.42Å; E488-K492 HydrophobicContact CB-CD 4.43Å; E488-K492 HydrophobicContact CG-CD 4.23Å; E488-K492 VanDerWaalsContact OE1-CE 3.28Å; E488-K492 WeakPolarHBondContact OE1-CE 3.35Å; E488-K492 IonicContact OE1-NZ 3.73Å; E488-K492 PolarHBondContact OE1-NZ 2.82Å; E488-M493 HydrophobicContact CB-CG 3.84Å; E488-M493 HydrophobicContact CB-SD 4.36Å; E488-K516 VanDerWaalsContact CD-NZ 3.3Å; E488-K516 IonicContact OE1-NZ 3.45Å; E488-K516 PolarHBondContact OE1-NZ 2.78Å; E488-K516 VanDerWaalsContact OE1-NZ 3.14Å; E488-K516 IonicContact OE2-NZ 3.45Å; E488-K516 PolarHBondContact OE2-NZ 3.19Å
489S94.9Very high88.9Confident76 Ų7683.1 Ų83.153%0.53144%0.437SS..  trans-61.3142.6176.465.10000111.7A491 K492 M493S489-A491 VanDerWaalsContact C-N 3.29Å; S489-A491 PolarHBondContact O-N 3.16Å; S489-K492 WeakPolarHBondContact O-CB 3.42Å; S489-K492 PolarHBondContact O-N 3.02Å; S489-K492 VanDerWaalsContact OG-CB 3.25Å; S489-K492 WeakPolarHBondContact OG-CB 3.44Å; S489-K492 PolarHBondContact OG-N 3.32Å; S489-M493 PolarHBondContact O-N 2.87Å; S489-M493 VanDerWaalsContact O-N 3.1Å
490K95.4Very high89.7Confident91 Ų9184.9 Ų84.940%0.39645%0.45SS..Hα-helixtrans-47.4-48176.1-72.5-174177.4-178.50113.5K492 M493 E494 D510 F512K490-K492 VanDerWaalsContact C-N 3.29Å; K490-K492 PolarHBondContact O-N 3.23Å; K490-M493 PolarHBondContact O-N 3.11Å; K490-M493 VanDerWaalsContact O-N 3.15Å; K490-E494 WeakPolarHBondContact O-CG 3.04Å; K490-E494 PolarHBondContact O-N 3.34Å; K490-D510 WeakPolarHBondContact CE-O 3.46Å; K490-D510 PolarHBondContact NZ-O 2.78Å; K490-F512 HydrophobicContact CB-CD2 3.95Å; K490-F512 HydrophobicContact CB-CE2 3.86Å; K490-F512 HydrophobicContact CD-CD2 4.48Å; K490-F512 HydrophobicContact CD-CE2 4.26Å; K490-F512 HydrophobicContact CG-CD2 3.85Å; K490-F512 HydrophobicContact CG-CE2 3.99Å
491A95.6Very high90.8Very high64 Ų6480.4 Ų80.453%0.52943%0.428SS..Hα-helixtrans-60.7-35.2-179.800000113.6S489 M495S489-A491 VanDerWaalsContact C-N 3.29Å; S489-A491 PolarHBondContact O-N 3.16Å; A491-M495 WeakPolarHBondContact O-CB 3.38Å; A491-M495 PolarHBondContact O-N 2.99Å; A491-M495 VanDerWaalsContact O-N 3.17Å
492K96.1Very high91.6Very high94 Ų9475.6 Ų75.641%0.40940%0.402SS..Hα-helixtrans-70.5-44.8175.6-174.4-176.7-179.4-167.70110.8E488 S489 K490 M495 D496E488-K492 HydrophobicContact CB-CD 4.43Å; E488-K492 HydrophobicContact CG-CD 4.23Å; E488-K492 VanDerWaalsContact OE1-CE 3.28Å; E488-K492 WeakPolarHBondContact OE1-CE 3.35Å; E488-K492 IonicContact OE1-NZ 3.73Å; E488-K492 PolarHBondContact OE1-NZ 2.82Å; S489-K492 WeakPolarHBondContact O-CB 3.42Å; S489-K492 PolarHBondContact O-N 3.02Å; S489-K492 VanDerWaalsContact OG-CB 3.25Å; S489-K492 WeakPolarHBondContact OG-CB 3.44Å; S489-K492 PolarHBondContact OG-N 3.32Å; K490-K492 VanDerWaalsContact C-N 3.29Å; K490-K492 PolarHBondContact O-N 3.23Å; K492-M495 PolarHBondContact O-N 3.46Å; K492-D496 WeakPolarHBondContact O-CB 3.42Å; K492-D496 PolarHBondContact O-N 3.37Å
493M96.8Very high92.7Very high0 Ų069.4 Ų69.40%037%0.368CS..Hα-helixtrans-62.8-42.6179-65.2-171.471.100111.7T471 S472 E488 S489 K490 M495 D496 N497 Y502 F505 F512T471-M493 VanDerWaalsContact C-SD 3.53Å; S472-M493 PolarHBondContact N-SD 3.01Å; E488-M493 HydrophobicContact CB-CG 3.84Å; E488-M493 HydrophobicContact CB-SD 4.36Å; S489-M493 PolarHBondContact O-N 2.87Å; S489-M493 VanDerWaalsContact O-N 3.1Å; K490-M493 PolarHBondContact O-N 3.11Å; K490-M493 VanDerWaalsContact O-N 3.15Å; M493-M495 PolarHBondContact O-N 3.2Å; M493-D496 PolarHBondContact O-N 3.09Å; M493-N497 WeakPolarHBondContact O-CB 3.45Å; M493-N497 PolarHBondContact O-N 3.2Å; M493-Y502 HydrophobicContact CE-CE1 4.42Å; M493-Y502 WeakPolarHBondContact CE-OH 3.41Å; M493-F505 HydrophobicContact CB-CE2 4.09Å; M493-F505 HydrophobicContact CE-CE2 4.21Å; M493-F512 HydrophobicContact CB-CD2 4.43Å; M493-F512 HydrophobicContact CE-CB 3.81Å; M493-F512 HydrophobicContact SD-CB 3.87Å
494E94.8Very high93.5Very high105 Ų10569.7 Ų69.749%0.49136%0.356SS..Hα-helixtrans-60.7-44174.2-72.2174.8155.200112.3K490 N497 L498 F512K490-E494 WeakPolarHBondContact O-CG 3.04Å; K490-E494 PolarHBondContact O-N 3.34Å; E494-N497 PolarHBondContact O-N 3.33Å; E494-L498 PolarHBondContact O-N 3.44Å; E494-F512 HydrophobicContact CG-CD2 4.29Å; E494-F512 HydrophobicContact CG-CE2 3.53Å; E494-F512 HydrophobicContact CG-CZ 4.03Å; E494-F512 WeakPolarHBondContact OE1-CE2 3.38Å; E494-F512 WeakPolarHBondContact OE1-CZ 3.41Å
495M96.2Very high94.1Very high99 Ų9968.7 Ų68.749%0.48835%0.35SS..Hα-helixtrans-65.2-41177.5-170.5-163.6-47.600112.1A491 K492 M493 N497 L498 K499A491-M495 WeakPolarHBondContact O-CB 3.38Å; A491-M495 PolarHBondContact O-N 2.99Å; A491-M495 VanDerWaalsContact O-N 3.17Å; K492-M495 PolarHBondContact O-N 3.46Å; M493-M495 PolarHBondContact O-N 3.2Å; M495-N497 VanDerWaalsContact C-N 3.34Å; M495-L498 PolarHBondContact O-N 3.32Å; M495-K499 WeakPolarHBondContact O-CG 3.15Å; M495-K499 PolarHBondContact O-N 2.89Å; M495-K499 VanDerWaalsContact O-N 3.15Å; M495-K499 PolarHBondContact SD-NZ 3.4Å
496D96Very high94.2Very high9 Ų966.6 Ų66.65%0.04835%0.35CS..Hα-helixtrans-68.8-33.9177.1-84.7-9.6000111.6K492 M493 K499 N500 K501 Y502 K516K492-D496 WeakPolarHBondContact O-CB 3.42Å; K492-D496 PolarHBondContact O-N 3.37Å; M493-D496 PolarHBondContact O-N 3.09Å; D496-K499 CarbonylContact O-C 3.5Å; D496-K499 PolarHBondContact O-N 3.08Å; D496-N500 PolarHBondContact O-N 3.19Å; D496-K501 HydrophobicContact CB-CB 4.39Å; D496-K501 HydrophobicContact CB-CD 4.05Å; D496-K501 WeakPolarHBondContact O-CB 3.36Å; D496-K501 PolarHBondContact O-N 2.64Å; D496-K501 VanDerWaalsContact O-N 3.08Å; D496-K501 WeakPolarHBondContact OD1-CD 3.22Å; D496-K501 WeakPolarHBondContact OD1-CE 3.11Å; D496-K501 IonicContact OD1-NZ 2.63Å; D496-K501 PolarHBondContact OD1-NZ 2.92Å; D496-K501 IonicContact OD2-NZ 2.69Å; D496-Y502 HydrophobicContact CB-CD2 4.35Å; D496-Y502 HydrophobicContact CB-CE2 3.69Å; D496-K516 IonicContact OD2-NZ 3.84Å; D496-K516 PolarHBondContact OD2-NZ 2.99Å
497N93.2Very high94.2Very high60 Ų6069.3 Ų69.332%0.32136%0.362SS..Hα-helixtrans-64.8-45.1171.3-173.250.7000111.8M493 E494 M495 K499 N500 Y502 F505M493-N497 WeakPolarHBondContact O-CB 3.45Å; M493-N497 PolarHBondContact O-N 3.2Å; E494-N497 PolarHBondContact O-N 3.33Å; M495-N497 VanDerWaalsContact C-N 3.34Å; N497-K499 PolarHBondContact O-N 3.27Å; N497-N500 PolarHBondContact O-N 2.95Å; N497-Y502 HydrophobicContact CB-CD2 3.99Å; N497-Y502 HydrophobicContact CB-CE2 4.45Å; N497-F505 HydrophobicContact CB-CD1 4.24Å; N497-F505 HydrophobicContact CB-CD2 4.17Å; N497-F505 HydrophobicContact CB-CE1 4.36Å; N497-F505 HydrophobicContact CB-CE2 4.29Å; N497-F505 HydrophobicContact CB-CG 4.14Å; N497-F505 HydrophobicContact CB-CZ 4.38Å
498L93.7Very high94Very high149 Ų14972.6 Ų72.678%0.7837%0.367SS*.Hα-helixtrans-61.2-26.6175.2-171.465.4000112.8E494 M495 N500E494-L498 PolarHBondContact O-N 3.44Å; M495-L498 PolarHBondContact O-N 3.32Å; L498-N500 VanDerWaalsContact C-N 3.29Å
499K94.2Very high93.7Very high120 Ų12077.9 Ų77.952%0.52239%0.392SS..THydrogen-bonded Turntrans-86.29.5174.6-69.6172.1-177.8170.90113.5M495 D496 N497 K501M495-K499 WeakPolarHBondContact O-CG 3.15Å; M495-K499 PolarHBondContact O-N 2.89Å; M495-K499 VanDerWaalsContact O-N 3.15Å; M495-K499 PolarHBondContact SD-NZ 3.4Å; D496-K499 CarbonylContact O-C 3.5Å; D496-K499 PolarHBondContact O-N 3.08Å; N497-K499 PolarHBondContact O-N 3.27Å; K499-K501 VanDerWaalsContact C-N 3.26Å; K499-K501 HydrophobicContact CB-CG 4.18Å; K499-K501 PolarHBondContact O-N 3.06Å
500N92.9Very high93.5Very high131 Ų13179.9 Ų79.970%0.70140%0.397SS*.THydrogen-bonded Turntrans55.833.5-179-62.1-44.3000114.2D496 N497 L498 Y517D496-N500 PolarHBondContact O-N 3.19Å; N497-N500 PolarHBondContact O-N 2.95Å; L498-N500 VanDerWaalsContact C-N 3.29Å; N500-Y517 WeakPolarHBondContact O-CE2 3.31Å
501K95Very high93.4Very high72 Ų7277.2 Ų77.231%0.31339%0.387SS..  trans-82.1-18178.8-65.9-171.8-176.4170.80114.2D496 K499 K516 Y517D496-K501 HydrophobicContact CB-CB 4.39Å; D496-K501 HydrophobicContact CB-CD 4.05Å; D496-K501 WeakPolarHBondContact O-CB 3.36Å; D496-K501 PolarHBondContact O-N 2.64Å; D496-K501 VanDerWaalsContact O-N 3.08Å; D496-K501 WeakPolarHBondContact OD1-CD 3.22Å; D496-K501 WeakPolarHBondContact OD1-CE 3.11Å; D496-K501 IonicContact OD1-NZ 2.63Å; D496-K501 PolarHBondContact OD1-NZ 2.92Å; D496-K501 IonicContact OD2-NZ 2.69Å; K499-K501 VanDerWaalsContact C-N 3.26Å; K499-K501 HydrophobicContact CB-CG 4.18Å; K499-K501 PolarHBondContact O-N 3.06Å; K501-K516 CarbonylContact O-C 3.55Å; K501-K516 VanDerWaalsContact O-CA 3.29Å; K501-K516 WeakPolarHBondContact O-CA 3.28Å; K501-Y517 VanDerWaalsContact O-CD2 3.27Å; K501-Y517 WeakPolarHBondContact O-CD2 3.35Å; K501-Y517 PolarHBondContact O-N 2.89Å
502Y94.3Very high93.3Very high8 Ų875.1 Ų75.13%0.03137%0.366CS..EExtended strand (participates in β ladder)trans-91.8135.1-179.9-73.3-81.6000111.2Y470 M493 D496 N497 F505 T515 K516 Y517Y470-Y502 HydrophobicContact CD2-CE1 4.4Å; M493-Y502 HydrophobicContact CE-CE1 4.42Å; M493-Y502 WeakPolarHBondContact CE-OH 3.41Å; D496-Y502 HydrophobicContact CB-CD2 4.35Å; D496-Y502 HydrophobicContact CB-CE2 3.69Å; N497-Y502 HydrophobicContact CB-CD2 3.99Å; N497-Y502 HydrophobicContact CB-CE2 4.45Å; Y502-F505 HydrophobicContact CD1-CD2 4.34Å; Y502-F505 AromaticContact CD2-CD2 3.93Å; Y502-F505 HydrophobicContact CD2-CD2 3.93Å; Y502-F505 HydrophobicContact CE1-CD2 4.45Å; Y502-F505 HydrophobicContact CE2-CD2 4.03Å; Y502-F505 HydrophobicContact CE2-CE2 4.38Å; Y502-F505 HydrophobicContact CG-CB 4.18Å; Y502-F505 HydrophobicContact CG-CD2 4.08Å; Y502-T515 WeakPolarHBondContact CA-O 3.36Å; Y502-K516 HydrophobicContact CD1-CG 3.76Å; Y502-K516 HydrophobicContact CE1-CD 4.33Å; Y502-K516 HydrophobicContact CE1-CG 3.5Å; Y502-K516 HydrophobicContact CE2-CG 4.49Å; Y502-K516 HydrophobicContact CG-CG 4.36Å; Y502-K516 VanDerWaalsContact CZ-CE 3.43Å; Y502-K516 WeakPolarHBondContact OH-CE 3.39Å; Y502-Y517 WeakPolarHBondContact O-CE2 3.42Å
503L93.8Very high93.2Very high3 Ų373.4 Ų73.42%0.01636%0.357CS..EExtended strand (participates in β ladder)trans-70.6-53.3165.4173.367.4000109.5T515 Y517 I520 L532 A538 K541 L542L503-T515 PolarHBondContact N-O 3.11Å; L503-Y517 HydrophobicContact CB-CD1 4.41Å; L503-Y517 HydrophobicContact CB-CE1 4.07Å; L503-Y517 HydrophobicContact CD1-CE1 3.74Å; L503-I520 HydrophobicContact CD2-CD1 3.84Å; L503-L532 HydrophobicContact CD2-CD1 4.21Å; L503-A538 HydrophobicContact CD1-CB 3.95Å; L503-A538 HydrophobicContact CD2-CB 4.16Å; L503-A538 HydrophobicContact CG-CB 3.97Å; L503-K541 HydrophobicContact CD1-CB 3.96Å; L503-K541 HydrophobicContact CD1-CD 4.41Å; L503-K541 PolarHBondContact O-NZ 3.33Å; L503-L542 HydrophobicContact CD1-CD1 4.22Å; L503-L542 HydrophobicContact CD1-CD2 3.87Å; L503-L542 HydrophobicContact CD1-CG 3.69Å; L503-L542 HydrophobicContact CD2-CD1 3.83Å; L503-L542 HydrophobicContact CD2-CD2 4.12Å; L503-L542 HydrophobicContact CD2-CG 4.13Å
504E92.4Very high93Very high58 Ų5873.7 Ų73.727%0.27136%0.361SS..EExtended strand (participates in β ladder)trans-126.9136174.5-67.9-174.6125.300108.7G514 T515 C534 S535 A538E504-G514 CarbonylContact O-C 3.53Å; E504-G514 WeakPolarHBondContact O-CA 3.26Å; E504-T515 PolarHBondContact O-N 2.87Å; E504-C534 VanDerWaalsContact OE2-CA 3.31Å; E504-C534 WeakPolarHBondContact OE2-CA 3.47Å; E504-C534 WeakPolarHBondContact OE2-CB 3.17Å; E504-S535 WeakPolarHBondContact OE1-CB 3.3Å; E504-S535 PolarHBondContact OE1-N 3.46Å; E504-S535 PolarHBondContact OE1-OG 3.48Å; E504-A538 HydrophobicContact CG-CB 3.85Å
505F92.4Very high93Very high63 Ų6370 Ų7028%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-141.3132.3178.1-179.7-95.9000107.9M493 N497 Y502 F512 Y513M493-F505 HydrophobicContact CB-CE2 4.09Å; M493-F505 HydrophobicContact CE-CE2 4.21Å; N497-F505 HydrophobicContact CB-CD1 4.24Å; N497-F505 HydrophobicContact CB-CD2 4.17Å; N497-F505 HydrophobicContact CB-CE1 4.36Å; N497-F505 HydrophobicContact CB-CE2 4.29Å; N497-F505 HydrophobicContact CB-CG 4.14Å; N497-F505 HydrophobicContact CB-CZ 4.38Å; Y502-F505 HydrophobicContact CD1-CD2 4.34Å; Y502-F505 AromaticContact CD2-CD2 3.93Å; Y502-F505 HydrophobicContact CD2-CD2 3.93Å; Y502-F505 HydrophobicContact CE1-CD2 4.45Å; Y502-F505 HydrophobicContact CE2-CD2 4.03Å; Y502-F505 HydrophobicContact CE2-CE2 4.38Å; Y502-F505 HydrophobicContact CG-CB 4.18Å; Y502-F505 HydrophobicContact CG-CD2 4.08Å; F505-F512 HydrophobicContact CE1-CD1 4.17Å; F505-F512 HydrophobicContact CE1-CE1 4.5Å; F505-F512 HydrophobicContact CE2-CB 3.9Å; F505-F512 HydrophobicContact CE2-CG 4.15Å; F505-F512 HydrophobicContact CZ-CB 3.88Å; F505-F512 AromaticContact CZ-CD1 3.7Å; F505-F512 HydrophobicContact CZ-CD1 3.7Å; F505-F512 HydrophobicContact CZ-CD2 4.08Å; F505-F512 HydrophobicContact CZ-CE1 4.25Å; F505-F512 AromaticContact CZ-CG 3.62Å; F505-F512 HydrophobicContact CZ-CG 3.62Å; F505-Y513 WeakPolarHBondContact CA-O 3.44Å
506G91.2Very high93Very high34 Ų3465.7 Ų65.735%0.35132%0.324SS..EExtended strand (participates in β ladder)trans-155.1170-178.200000112.1F512 Y513G506-F512 CarbonylContact O-C 3.54Å; G506-F512 WeakPolarHBondContact O-CA 3.14Å; G506-Y513 PolarHBondContact N-O 3.08Å; G506-Y513 PolarHBondContact O-N 2.81Å
507E92.1Very high93Very high125 Ų12567 Ų6758%0.58433%0.328SS*.EExtended strand (participates in β ladder)trans-119.5135.1178.5-172.8178.3175.400109.4N511 F512E507-N511 CarbonylContact C-O 3.58Å; E507-N511 WeakPolarHBondContact CA-O 3.43Å; E507-F512 HydrophobicContact CB-CD1 3.96Å; E507-F512 HydrophobicContact CB-CE1 4.12Å; E507-F512 HydrophobicContact CG-CD1 4.01Å; E507-F512 HydrophobicContact CG-CE1 3.99Å
508Y88Confident93.1Very high140 Ų14067.3 Ų67.355%0.54933%0.33SS..EExtended strand (participates in β ladder)trans-144.9128176.2-178.3-96.2000109.3D510 N511 Y513Y508-D510 VanDerWaalsContact C-N 3.34Å; Y508-D510 PolarHBondContact O-N 3.33Å; Y508-N511 PolarHBondContact N-O 3.09Å; Y508-N511 PolarHBondContact O-N 2.91Å; Y508-N511 VanDerWaalsContact O-O 3.13Å; Y508-Y513 HydrophobicContact CD1-CE2 4.37Å
509E88.9Confident93.2Very high134 Ų13460.2 Ų60.263%0.62629%0.292SS*.THydrogen-bonded Turntrans48.353.1-178.1-68.8176.2-171.900112.7N511E509-N511 PolarHBondContact O-N 3.35Å; E509-N511 PolarHBondContact O-ND2 3.41Å
510D90.1Very high93.3Very high119 Ų11954.5 Ų54.564%0.63627%0.268SS*.THydrogen-bonded Turntrans56.115.9-176.5-58-32.7000114.5K490 Y508K490-D510 WeakPolarHBondContact CE-O 3.46Å; K490-D510 PolarHBondContact NZ-O 2.78Å; Y508-D510 VanDerWaalsContact C-N 3.34Å; Y508-D510 PolarHBondContact O-N 3.33Å
511N92.9Very high93.5Very high35 Ų3551.8 Ų51.819%0.18725%0.248CC..EExtended strand (participates in β ladder)trans-118.4142.7176.9-70.7-69.4000111.1S472 K473 E507 Y508 E509 Y513S472-N511 PolarHBondContact O-OD1 3.02Å; S472-N511 VanDerWaalsContact OG-CA 3.31Å; S472-N511 WeakPolarHBondContact OG-CA 3.47Å; S472-N511 PolarHBondContact OG-OD1 3.32Å; K473-N511 WeakPolarHBondContact CA-OD1 3.39Å; K473-N511 HydrophobicContact CB-CB 4.07Å; K473-N511 PolarHBondContact N-OD1 3.26Å; E507-N511 CarbonylContact C-O 3.58Å; E507-N511 WeakPolarHBondContact CA-O 3.43Å; Y508-N511 PolarHBondContact N-O 3.09Å; Y508-N511 PolarHBondContact O-N 2.91Å; Y508-N511 VanDerWaalsContact O-O 3.13Å; E509-N511 PolarHBondContact O-N 3.35Å; E509-N511 PolarHBondContact O-ND2 3.41Å; N511-Y513 HydrophobicContact CB-CE2 3.83Å; N511-Y513 WeakPolarHBondContact O-CD2 3.3Å
512F94Very high93.5Very high19 Ų1953 Ų538%0.08326%0.255CS..EExtended strand (participates in β ladder)trans-84.7141.4176.2-62.6-43.3000110.9T471 S472 K490 M493 E494 F505 G506 E507T471-F512 CarbonylContact C-O 3.57Å; T471-F512 WeakPolarHBondContact CA-O 3.42Å; S472-F512 PolarHBondContact N-O 2.88Å; S472-F512 PolarHBondContact OG-N 3.11Å; K490-F512 HydrophobicContact CB-CD2 3.95Å; K490-F512 HydrophobicContact CB-CE2 3.86Å; K490-F512 HydrophobicContact CD-CD2 4.48Å; K490-F512 HydrophobicContact CD-CE2 4.26Å; K490-F512 HydrophobicContact CG-CD2 3.85Å; K490-F512 HydrophobicContact CG-CE2 3.99Å; M493-F512 HydrophobicContact CB-CD2 4.43Å; M493-F512 HydrophobicContact CE-CB 3.81Å; M493-F512 HydrophobicContact SD-CB 3.87Å; E494-F512 HydrophobicContact CG-CD2 4.29Å; E494-F512 HydrophobicContact CG-CE2 3.53Å; E494-F512 HydrophobicContact CG-CZ 4.03Å; E494-F512 WeakPolarHBondContact OE1-CE2 3.38Å; E494-F512 WeakPolarHBondContact OE1-CZ 3.41Å; F505-F512 HydrophobicContact CE1-CD1 4.17Å; F505-F512 HydrophobicContact CE1-CE1 4.5Å; F505-F512 HydrophobicContact CE2-CB 3.9Å; F505-F512 HydrophobicContact CE2-CG 4.15Å; F505-F512 HydrophobicContact CZ-CB 3.88Å; F505-F512 AromaticContact CZ-CD1 3.7Å; F505-F512 HydrophobicContact CZ-CD1 3.7Å; F505-F512 HydrophobicContact CZ-CD2 4.08Å; F505-F512 HydrophobicContact CZ-CE1 4.25Å; F505-F512 AromaticContact CZ-CG 3.62Å; F505-F512 HydrophobicContact CZ-CG 3.62Å; G506-F512 CarbonylContact O-C 3.54Å; G506-F512 WeakPolarHBondContact O-CA 3.14Å; E507-F512 HydrophobicContact CB-CD1 3.96Å; E507-F512 HydrophobicContact CB-CE1 4.12Å; E507-F512 HydrophobicContact CG-CD1 4.01Å; E507-F512 HydrophobicContact CG-CE1 3.99Å
513Y93.7Very high93.6Very high58 Ų5853.1 Ų53.123%0.22726%0.256CS..EExtended strand (participates in β ladder)trans-132.3141.7174.3-65.5-94.5000109.2Y470 T471 F485 F505 G506 Y508 N511Y470-Y513 CarbonylContact O-C 3.45Å; Y470-Y513 VanDerWaalsContact O-CA 3.3Å; Y470-Y513 WeakPolarHBondContact O-CA 3.5Å; T471-Y513 WeakPolarHBondContact OG1-CE1 3.33Å; F485-Y513 HydrophobicContact CD1-CD1 4.36Å; F485-Y513 AromaticContact CE1-CD1 3.94Å; F485-Y513 HydrophobicContact CE1-CD1 3.94Å; F485-Y513 HydrophobicContact CE1-CE1 4.36Å; F485-Y513 HydrophobicContact CZ-CD1 4.49Å; F505-Y513 WeakPolarHBondContact CA-O 3.44Å; G506-Y513 PolarHBondContact N-O 3.08Å; G506-Y513 PolarHBondContact O-N 2.81Å; Y508-Y513 HydrophobicContact CD1-CE2 4.37Å; N511-Y513 HydrophobicContact CB-CE2 3.83Å; N511-Y513 WeakPolarHBondContact O-CD2 3.3Å
514G93.3Very high93.5Very high7 Ų755.1 Ų55.17%0.07227%0.268CS..EExtended strand (participates in β ladder)trans-171.8157.3173.400000115.1Y470 E504Y470-G514 PolarHBondContact N-O 3.19Å; Y470-G514 PolarHBondContact O-N 3.4Å; E504-G514 CarbonylContact O-C 3.53Å; E504-G514 WeakPolarHBondContact O-CA 3.26Å
515T94.6Very high93.6Very high26 Ų2660 Ų6016%0.1629%0.291CS..EExtended strand (participates in β ladder)trans-108.3121176.1-56.70000109.2A467 Y502 L503 E504A467-T515 HydrophobicContact CB-CG2 3.75Å; Y502-T515 WeakPolarHBondContact CA-O 3.36Å; L503-T515 PolarHBondContact N-O 3.11Å; E504-T515 PolarHBondContact O-N 2.87Å
516K95.8Very high93.6Very high10 Ų1059.9 Ų59.94%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-80.7151178.7-64.1-175.5-168.2-177.10111.1Y470 E488 D496 K501 Y502 D518 S519Y470-K516 HydrophobicContact CD2-CB 4.39Å; Y470-K516 HydrophobicContact CD2-CD 3.92Å; Y470-K516 HydrophobicContact CD2-CG 3.73Å; Y470-K516 HydrophobicContact CE1-CD 4.16Å; Y470-K516 HydrophobicContact CE2-CB 3.93Å; Y470-K516 HydrophobicContact CE2-CD 3.55Å; Y470-K516 HydrophobicContact CE2-CG 3.6Å; Y470-K516 HydrophobicContact CG-CD 4.4Å; E488-K516 VanDerWaalsContact CD-NZ 3.3Å; E488-K516 IonicContact OE1-NZ 3.45Å; E488-K516 PolarHBondContact OE1-NZ 2.78Å; E488-K516 VanDerWaalsContact OE1-NZ 3.14Å; E488-K516 IonicContact OE2-NZ 3.45Å; E488-K516 PolarHBondContact OE2-NZ 3.19Å; D496-K516 IonicContact OD2-NZ 3.84Å; D496-K516 PolarHBondContact OD2-NZ 2.99Å; K501-K516 CarbonylContact O-C 3.55Å; K501-K516 VanDerWaalsContact O-CA 3.29Å; K501-K516 WeakPolarHBondContact O-CA 3.28Å; Y502-K516 HydrophobicContact CD1-CG 3.76Å; Y502-K516 HydrophobicContact CE1-CD 4.33Å; Y502-K516 HydrophobicContact CE1-CG 3.5Å; Y502-K516 HydrophobicContact CE2-CG 4.49Å; Y502-K516 HydrophobicContact CG-CG 4.36Å; Y502-K516 VanDerWaalsContact CZ-CE 3.43Å; Y502-K516 WeakPolarHBondContact OH-CE 3.39Å; K516-D518 PolarHBondContact O-N 3.29Å; K516-S519 PolarHBondContact O-N 3.47Å
517Y96.5Very high93.4Very high37 Ų3761 Ų6115%0.14531%0.313CS..Hα-helixtrans-59.8-36.5170.3-69.5-73.6000111.9N500 K501 Y502 L503 S519 I520 R521 K541 L542 F547N500-Y517 WeakPolarHBondContact O-CE2 3.31Å; K501-Y517 VanDerWaalsContact O-CD2 3.27Å; K501-Y517 WeakPolarHBondContact O-CD2 3.35Å; K501-Y517 PolarHBondContact O-N 2.89Å; Y502-Y517 WeakPolarHBondContact O-CE2 3.42Å; L503-Y517 HydrophobicContact CB-CD1 4.41Å; L503-Y517 HydrophobicContact CB-CE1 4.07Å; L503-Y517 HydrophobicContact CD1-CE1 3.74Å; Y517-S519 VanDerWaalsContact C-N 3.29Å; Y517-S519 PolarHBondContact O-N 2.92Å; Y517-I520 WeakPolarHBondContact O-CB 3.4Å; Y517-I520 PolarHBondContact O-N 3.15Å; Y517-R521 WeakPolarHBondContact O-CG 3.5Å; Y517-R521 PolarHBondContact O-N 3.1Å; Y517-K541 WeakPolarHBondContact OH-CB 3.09Å; Y517-L542 HydrophobicContact CE1-CD2 4.42Å; Y517-F547 AromaticContact CD1-CE2 3.67Å; Y517-F547 HydrophobicContact CD1-CE2 3.67Å; Y517-F547 AromaticContact CD1-CZ 3.71Å; Y517-F547 HydrophobicContact CD1-CZ 3.71Å; Y517-F547 HydrophobicContact CE1-CE2 4.17Å; Y517-F547 HydrophobicContact CG-CZ 4.4Å
518D96Very high93.5Very high65 Ų6559.4 Ų59.435%0.34830%0.302SS..Hα-helixtrans-61-37.1179.5-65.1-27.8000112.3K516 I520 R521 E522K516-D518 PolarHBondContact O-N 3.29Å; D518-I520 VanDerWaalsContact C-N 3.26Å; D518-I520 PolarHBondContact O-N 3.4Å; D518-R521 WeakPolarHBondContact O-CB 3.43Å; D518-R521 PolarHBondContact O-N 2.96Å; D518-R521 VanDerWaalsContact O-N 3.13Å; D518-R521 IonicContact OD1-CZ 2.75Å; D518-R521 IonicContact OD1-NH1 3.79Å; D518-R521 PolarHBondContact OD1-NH1 3.35Å; D518-E522 WeakPolarHBondContact O-CG 3.43Å; D518-E522 PolarHBondContact O-N 2.81Å
519S95.9Very high93.8Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-67.5-26.8175.8-620000113.3I468 Y470 K516 Y517 V523I468-S519 WeakPolarHBondContact O-CB 3.37Å; I468-S519 PolarHBondContact O-OG 2.94Å; Y470-S519 WeakPolarHBondContact CE2-OG 3.46Å; K516-S519 PolarHBondContact O-N 3.47Å; Y517-S519 VanDerWaalsContact C-N 3.29Å; Y517-S519 PolarHBondContact O-N 2.92Å; S519-V523 WeakPolarHBondContact O-CG2 3.41Å
520I96.3Very high94.2Very high0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-73.3-45.4171.3-56.8169.3000109.2V438 A467 L503 Y517 D518 E522 V523 V524 C530 L532 L542 F547V438-I520 HydrophobicContact CG2-CG2 3.63Å; A467-I520 HydrophobicContact CB-CG1 3.96Å; L503-I520 HydrophobicContact CD2-CD1 3.84Å; Y517-I520 WeakPolarHBondContact O-CB 3.4Å; Y517-I520 PolarHBondContact O-N 3.15Å; D518-I520 VanDerWaalsContact C-N 3.26Å; D518-I520 PolarHBondContact O-N 3.4Å; I520-E522 VanDerWaalsContact C-N 3.34Å; I520-E522 PolarHBondContact O-N 2.65Å; I520-V523 PolarHBondContact O-N 3.46Å; I520-V524 WeakPolarHBondContact O-CG2 2.89Å; I520-V524 PolarHBondContact O-N 3.3Å; I520-V524 VanDerWaalsContact O-N 3.1Å; I520-C530 HydrophobicContact CG2-CB 4.13Å; I520-L532 HydrophobicContact CD1-CD1 3.71Å; I520-L532 HydrophobicContact CG1-CD1 4.14Å; I520-L532 HydrophobicContact CG1-CD2 4.28Å; I520-L542 HydrophobicContact CD1-CD2 4Å; I520-F547 HydrophobicContact CB-CD1 4.45Å; I520-F547 HydrophobicContact CB-CE1 4Å; I520-F547 HydrophobicContact CG2-CD1 3.64Å; I520-F547 HydrophobicContact CG2-CE1 3.69Å
521R96.2Very high94.5Very high74 Ų7440.7 Ų40.728%0.27922%0.216SC..Hα-helixtrans-58.3-43.6177.7-67171.4178.3124.29.8112.1Y517 D518 V523 V524 Q525 E546 F547Y517-R521 WeakPolarHBondContact O-CG 3.5Å; Y517-R521 PolarHBondContact O-N 3.1Å; D518-R521 WeakPolarHBondContact O-CB 3.43Å; D518-R521 PolarHBondContact O-N 2.96Å; D518-R521 VanDerWaalsContact O-N 3.13Å; D518-R521 IonicContact OD1-CZ 2.75Å; D518-R521 IonicContact OD1-NH1 3.79Å; D518-R521 PolarHBondContact OD1-NH1 3.35Å; R521-V523 VanDerWaalsContact C-N 3.31Å; R521-V523 PolarHBondContact O-N 2.74Å; R521-V524 PolarHBondContact O-N 3.38Å; R521-Q525 VanDerWaalsContact O-CB 3.32Å; R521-Q525 WeakPolarHBondContact O-CB 3.47Å; R521-Q525 VanDerWaalsContact O-CG 3.22Å; R521-Q525 WeakPolarHBondContact O-CG 3.37Å; R521-Q525 PolarHBondContact O-N 3.05Å; R521-E546 IonicContact CZ-OE1 3.39Å; R521-E546 VanDerWaalsContact CZ-OE1 3.29Å; R521-E546 IonicContact NE-OE1 3.14Å; R521-E546 PolarHBondContact NE-OE1 3.14Å; R521-E546 IonicContact NH2-OE1 3.2Å; R521-E546 PolarHBondContact NH2-OE1 3Å; R521-E546 IonicContact NH2-OE2 3.23Å; R521-E546 PolarHBondContact NH2-OE2 3.06Å; R521-F547 HydrophobicContact CG-CE1 4.13Å; R521-F547 HydrophobicContact CG-CZ 4.41Å
522E95.9Very high94.7Very high99 Ų9939.5 Ų39.546%0.46321%0.209SC..Hα-helixtrans-57.4-43177.8-75.9168.5-171.800112D518 I520 A526D518-E522 WeakPolarHBondContact O-CG 3.43Å; D518-E522 PolarHBondContact O-N 2.81Å; I520-E522 VanDerWaalsContact C-N 3.34Å; I520-E522 PolarHBondContact O-N 2.65Å; E522-A526 WeakPolarHBondContact O-CB 3.4Å; E522-A526 PolarHBondContact O-N 2.6Å
523V95.4Very high94.7Very high9 Ų940.5 Ų40.56%0.05522%0.215CC..Hα-helixtrans-64.9-45176.7174.20000111.2A465 S519 I520 R521 A526 R528 C530A465-V523 HydrophobicContact CB-CG1 3.84Å; A465-V523 HydrophobicContact CB-CG2 4.26Å; S519-V523 WeakPolarHBondContact O-CG2 3.41Å; I520-V523 PolarHBondContact O-N 3.46Å; R521-V523 VanDerWaalsContact C-N 3.31Å; R521-V523 PolarHBondContact O-N 2.74Å; V523-A526 WeakPolarHBondContact O-CB 3.43Å; V523-A526 PolarHBondContact O-N 2.84Å; V523-R528 HydrophobicContact CG1-CB 3.96Å; V523-R528 PolarHBondContact O-N 2.77Å; V523-C530 HydrophobicContact CB-CB 4.05Å; V523-C530 HydrophobicContact CG1-CB 3.72Å
524V93Very high94.6Very high46 Ų4637.9 Ų37.928%0.27921%0.205SC..Hα-helixtrans-65.6-42.8179.8175.60000111.3P437 V438 I520 R521 A526 G527P437-V524 HydrophobicContact CB-CB 4.44Å; P437-V524 HydrophobicContact CB-CG1 3.73Å; P437-V524 HydrophobicContact CB-CG2 3.79Å; V438-V524 HydrophobicContact CG2-CG2 4.31Å; I520-V524 WeakPolarHBondContact O-CG2 2.89Å; I520-V524 PolarHBondContact O-N 3.3Å; I520-V524 VanDerWaalsContact O-N 3.1Å; R521-V524 PolarHBondContact O-N 3.38Å; V524-A526 VanDerWaalsContact C-N 3.26Å; V524-A526 PolarHBondContact O-N 2.84Å; V524-G527 PolarHBondContact O-N 3.01Å
525Q92.9Very high94.5Very high159 Ų15939.6 Ų39.674%0.74322%0.216SC*.Hα-helixtrans-65.2-29.1177.1-73.6172.95.900112.5R521 G527R521-Q525 VanDerWaalsContact O-CB 3.32Å; R521-Q525 WeakPolarHBondContact O-CB 3.47Å; R521-Q525 VanDerWaalsContact O-CG 3.22Å; R521-Q525 WeakPolarHBondContact O-CG 3.37Å; R521-Q525 PolarHBondContact O-N 3.05Å; Q525-G527 PolarHBondContact O-N 2.93Å
526A92.9Very high94.3Very high62 Ų6239 Ų3951%0.51221%0.212SC..THydrogen-bonded Turntrans-72.63.1171.300000113.6E522 V523 V524 R528E522-A526 WeakPolarHBondContact O-CB 3.4Å; E522-A526 PolarHBondContact O-N 2.6Å; V523-A526 WeakPolarHBondContact O-CB 3.43Å; V523-A526 PolarHBondContact O-N 2.84Å; V524-A526 VanDerWaalsContact C-N 3.26Å; V524-A526 PolarHBondContact O-N 2.84Å; A526-R528 VanDerWaalsContact C-N 3.31Å; A526-R528 PolarHBondContact O-N 2.96Å
527G87.6Confident94Very high57 Ų5743.5 Ų43.559%0.58823%0.233SC*.THydrogen-bonded Turntrans78.212.5-179.800000114.2V524 Q525V524-G527 PolarHBondContact O-N 3.01Å; Q525-G527 PolarHBondContact O-N 2.93Å
528R93.2Very high93.8Very high92 Ų9241.9 Ų41.935%0.34723%0.227SC..  trans-104.9154.3-177.9-65-173.1-69.3178.1-0.8111.1E462 R463 V523 A526E462-R528 VanDerWaalsContact O-CG 3.31Å; E462-R528 WeakPolarHBondContact O-CG 3.12Å; R463-R528 CarbonylContact O-C 3.33Å; R463-R528 WeakPolarHBondContact O-CA 3.25Å; R463-R528 WeakPolarHBondContact O-CB 3.44Å; V523-R528 HydrophobicContact CG1-CB 3.96Å; V523-R528 PolarHBondContact O-N 2.77Å; A526-R528 VanDerWaalsContact C-N 3.31Å; A526-R528 PolarHBondContact O-N 2.96Å
529T94.4Very high93.6Very high0 Ų038.8 Ų38.80%021%0.211CC..EExtended strand (participates in β ladder)trans-82125168.7-640000110Q435 R436 P437 I439 R463 Y464 A465 L531Q435-T529 VanDerWaalsContact CD-OG1 3.26Å; Q435-T529 WeakPolarHBondContact CG-OG1 3.4Å; Q435-T529 PolarHBondContact NE2-OG1 3.47Å; Q435-T529 VanDerWaalsContact NE2-OG1 3.1Å; R436-T529 WeakPolarHBondContact O-CB 3.39Å; R436-T529 WeakPolarHBondContact O-CG2 3.46Å; R436-T529 PolarHBondContact O-OG1 3.04Å; P437-T529 CarbonylContact O-C 3.56Å; P437-T529 WeakPolarHBondContact O-CA 3.29Å; I439-T529 HydrophobicContact CB-CG2 4.28Å; I439-T529 HydrophobicContact CD1-CG2 3.47Å; I439-T529 VanDerWaalsContact CD1-CG2 3.47Å; I439-T529 HydrophobicContact CG1-CG2 3.66Å; R463-T529 PolarHBondContact O-N 2.87Å; Y464-T529 HydrophobicContact CD1-CG2 4.19Å; Y464-T529 HydrophobicContact CE1-CG2 4.22Å; A465-T529 PolarHBondContact N-O 2.91Å; A465-T529 VanDerWaalsContact N-O 3.13Å; T529-L531 PolarHBondContact O-N 3.38Å
530C97.5Very high93.3Very high0 Ų040.9 Ų40.90%023%0.225CC..EExtended strand (participates in β ladder)trans-77.2116.5174.4-168.50000110.5P437 V438 I439 A465 I520 V523P437-C530 PolarHBondContact O-N 3.37Å; V438-C530 WeakPolarHBondContact CA-O 3.47Å; V438-C530 HydrophobicContact CG2-CB 4.28Å; I439-C530 PolarHBondContact N-O 3.01Å; A465-C530 CarbonylContact O-C 3.6Å; A465-C530 WeakPolarHBondContact O-CA 3.02Å; I520-C530 HydrophobicContact CG2-CB 4.13Å; V523-C530 HydrophobicContact CB-CB 4.05Å; V523-C530 HydrophobicContact CG1-CB 3.72Å
531L97.5Very high93Very high0 Ų045.4 Ų45.40%025%0.245CC..EExtended strand (participates in β ladder)trans-92.4116.6171.4-68.9168.3000110I439 R453 L456 I457 Y464 A465 S466 T529I439-L531 HydrophobicContact CB-CD2 3.79Å; I439-L531 HydrophobicContact CD1-CD2 4.06Å; I439-L531 HydrophobicContact CG2-CD2 3.87Å; R453-L531 WeakPolarHBondContact CD-O 3.49Å; R453-L531 HydrophobicContact CG-CB 3.88Å; R453-L531 HydrophobicContact CG-CD1 4.47Å; L456-L531 HydrophobicContact CB-CD1 3.59Å; L456-L531 HydrophobicContact CD1-CD1 4.07Å; L456-L531 HydrophobicContact CD1-CD2 3.96Å; I457-L531 HydrophobicContact CD1-CD1 4.47Å; I457-L531 HydrophobicContact CG1-CD1 3.74Å; Y464-L531 HydrophobicContact CD1-CD1 3.9Å; Y464-L531 HydrophobicContact CD1-CD2 4.33Å; Y464-L531 HydrophobicContact CD1-CG 4Å; Y464-L531 HydrophobicContact CD2-CD1 4.47Å; Y464-L531 HydrophobicContact CG-CD1 3.78Å; Y464-L531 HydrophobicContact CG-CG 4.36Å; A465-L531 PolarHBondContact O-N 2.89Å; S466-L531 PolarHBondContact OG-O 3.35Å; T529-L531 PolarHBondContact O-N 3.38Å
532L96.2Very high92.9Very high9 Ų941.9 Ų41.95%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-115.2128.3-178.9-63.4176.5000110.7V438 I439 C440 L441 A467 L503 I520 L542V438-L532 HydrophobicContact CG1-CD1 3.56Å; V438-L532 HydrophobicContact CG1-CG 4.16Å; I439-L532 PolarHBondContact O-N 2.75Å; C440-L532 CarbonylContact C-O 3.48Å; C440-L532 WeakPolarHBondContact CA-O 3.4Å; L441-L532 PolarHBondContact N-O 2.76Å; A467-L532 HydrophobicContact CB-CD2 3.71Å; L503-L532 HydrophobicContact CD2-CD1 4.21Å; I520-L532 HydrophobicContact CD1-CD1 3.71Å; I520-L532 HydrophobicContact CG1-CD1 4.14Å; I520-L532 HydrophobicContact CG1-CD2 4.28Å; L532-L542 HydrophobicContact CD1-CD1 3.81Å
533D93.5Very high92.7Very high40 Ų4039 Ų3921%0.21422%0.217CC..  trans-101.562.2169.361.1-20.4000111R449 R450 R453R449-D533 HydrophobicContact CB-CB 3.96Å; R449-D533 PolarHBondContact NH1-O 2.95Å; R450-D533 WeakPolarHBondContact CA-OD2 3.22Å; R450-D533 WeakPolarHBondContact CB-OD2 3.5Å; R453-D533 IonicContact CZ-OD1 3.74Å; R453-D533 IonicContact CZ-OD2 2.95Å; R453-D533 IonicContact NE-OD1 3.29Å; R453-D533 IonicContact NE-OD2 3.86Å; R453-D533 VanDerWaalsContact NH1-CG 3.34Å; R453-D533 IonicContact NH1-OD1 2.81Å; R453-D533 PolarHBondContact NH1-OD1 2.82Å; R453-D533 IonicContact NH1-OD2 2.78Å; R453-D533 VanDerWaalsContact NH2-CG 3.25Å; R453-D533 IonicContact NH2-OD1 3.02Å; R453-D533 PolarHBondContact NH2-OD1 3.46Å; R453-D533 IonicContact NH2-OD2 3.22Å; R453-D533 PolarHBondContact NH2-OD2 3.27Å
534C92.1Very high92.4Very high3 Ų341 Ų412%0.0223%0.227CC..  trans-89.9173.5-17656.60000113.7I442 R449 E504 A538I442-C534 VanDerWaalsContact CD1-O 3.28Å; I442-C534 WeakPolarHBondContact CD1-O 3.4Å; I442-C534 VanDerWaalsContact CD1-SG 3.59Å; R449-C534 PolarHBondContact NH1-O 2.74Å; R449-C534 VanDerWaalsContact NH1-O 3.1Å; E504-C534 VanDerWaalsContact OE2-CA 3.31Å; E504-C534 WeakPolarHBondContact OE2-CA 3.47Å; E504-C534 WeakPolarHBondContact OE2-CB 3.17Å; C534-A538 HydrophobicContact CB-CB 3.74Å
535S91.4Very high92.2Very high43 Ų4342 Ų4230%0.30124%0.236SC..  trans-74.2160.3168.570.50000111.8E504 Q537 A538E504-S535 WeakPolarHBondContact OE1-CB 3.3Å; E504-S535 PolarHBondContact OE1-N 3.46Å; E504-S535 PolarHBondContact OE1-OG 3.48Å; S535-Q537 PolarHBondContact O-N 3.29Å; S535-A538 WeakPolarHBondContact O-CB 3.41Å; S535-A538 PolarHBondContact O-N 3.14Å; S535-A538 VanDerWaalsContact O-N 3.12Å
536I90.8Very high92Very high15 Ų1538.7 Ų38.78%0.07722%0.221CC..Hα-helixtrans-60.8-27.6176.1-170.660.7000112.5I442 A538 V539 I594 Y598 L601I442-I536 HydrophobicContact CG1-CD1 4.49Å; I442-I536 HydrophobicContact CG2-CB 3.84Å; I442-I536 HydrophobicContact CG2-CD1 3.89Å; I442-I536 HydrophobicContact CG2-CG1 4.37Å; I536-A538 VanDerWaalsContact C-N 3.3Å; I536-A538 PolarHBondContact O-N 3.08Å; I536-V539 HydrophobicContact CD1-CB 4.46Å; I536-V539 HydrophobicContact CD1-CG2 4.17Å; I536-V539 WeakPolarHBondContact O-CB 3.44Å; I536-V539 PolarHBondContact O-N 2.81Å; I536-I594 HydrophobicContact CB-CG2 4.32Å; I536-I594 HydrophobicContact CG1-CG2 4.28Å; I536-Y598 HydrophobicContact CD1-CG 4.22Å; I536-Y598 HydrophobicContact CG1-CD1 3.68Å; I536-Y598 HydrophobicContact CG1-CD2 3.88Å; I536-Y598 HydrophobicContact CG1-CE1 4.31Å; I536-Y598 HydrophobicContact CG1-CE2 4.49Å; I536-Y598 HydrophobicContact CG1-CG 3.42Å; I536-Y598 VanDerWaalsContact CG1-CG 3.42Å; I536-Y598 HydrophobicContact CG2-CD2 4.09Å; I536-Y598 HydrophobicContact CG2-CE1 4.49Å; I536-Y598 HydrophobicContact CG2-CE2 3.99Å; I536-Y598 HydrophobicContact CG2-CG 4.4Å; I536-L601 HydrophobicContact CD1-CB 4.46Å; I536-L601 HydrophobicContact CD1-CD1 4.19Å
537Q88.8Confident92Very high104 Ų10436 Ų3649%0.48620%0.197SC..Hα-helixtrans-66.7-32.8178.2-65.8178.2-30.100112.1S535 V539S535-Q537 PolarHBondContact O-N 3.29Å; Q537-V539 VanDerWaalsContact C-N 3.28Å; Q537-V539 PolarHBondContact O-N 3.35Å
538A92.3Very high92.2Very high2 Ų234.5 Ų34.52%0.01718%0.176CC..Hα-helixtrans-66.2-30.4176.600000112.4L503 E504 C534 S535 I536 S540 K541 L542L503-A538 HydrophobicContact CD1-CB 3.95Å; L503-A538 HydrophobicContact CD2-CB 4.16Å; L503-A538 HydrophobicContact CG-CB 3.97Å; E504-A538 HydrophobicContact CG-CB 3.85Å; C534-A538 HydrophobicContact CB-CB 3.74Å; S535-A538 WeakPolarHBondContact O-CB 3.41Å; S535-A538 PolarHBondContact O-N 3.14Å; S535-A538 VanDerWaalsContact O-N 3.12Å; I536-A538 VanDerWaalsContact C-N 3.3Å; I536-A538 PolarHBondContact O-N 3.08Å; A538-S540 VanDerWaalsContact C-N 3.31Å; A538-S540 PolarHBondContact O-N 3.38Å; A538-K541 WeakPolarHBondContact O-CB 3.3Å; A538-K541 PolarHBondContact O-N 3.17Å; A538-K541 VanDerWaalsContact O-N 3.1Å; A538-L542 PolarHBondContact O-N 3.03Å; A538-L542 VanDerWaalsContact O-N 3.1Å
539V92.8Very high92.3Very high1 Ų130.2 Ų30.21%0.00616%0.16CC..Hα-helixtrans-59.4-42.2-179.7177.60000111.5C440 I442 I536 Q537 K541 L542 R543 V551 L601C440-V539 HydrophobicContact CB-CG2 4.38Å; I442-V539 HydrophobicContact CD1-CG2 3.52Å; I442-V539 HydrophobicContact CG1-CG2 3.75Å; I536-V539 HydrophobicContact CD1-CB 4.46Å; I536-V539 HydrophobicContact CD1-CG2 4.17Å; I536-V539 WeakPolarHBondContact O-CB 3.44Å; I536-V539 PolarHBondContact O-N 2.81Å; Q537-V539 VanDerWaalsContact C-N 3.28Å; Q537-V539 PolarHBondContact O-N 3.35Å; V539-K541 PolarHBondContact O-N 3.42Å; V539-L542 PolarHBondContact O-N 3.27Å; V539-R543 WeakPolarHBondContact O-CB 3.37Å; V539-R543 PolarHBondContact O-N 3.12Å; V539-V551 HydrophobicContact CG1-CG1 4.3Å; V539-V551 HydrophobicContact CG1-CG2 3.55Å; V539-V551 HydrophobicContact CG2-CG1 4.22Å; V539-V551 HydrophobicContact CG2-CG2 4.47Å; V539-L601 HydrophobicContact CG1-CB 4.26Å; V539-L601 HydrophobicContact CG1-CD1 4.38Å
540S87.9Confident92.4Very high43 Ų4331.2 Ų31.230%0.30116%0.164SC..Hα-helixtrans-57.8-37.2178-590000112.2A538A538-S540 VanDerWaalsContact C-N 3.31Å; A538-S540 PolarHBondContact O-N 3.38Å
541K90.8Very high92.3Very high96 Ų9631.4 Ų31.442%0.41717%0.165SC..Hα-helixtrans-74.3-31.5177.4-56.2-178.1-177.4177.20112.5L503 Y517 A538 V539 N544L503-K541 HydrophobicContact CD1-CB 3.96Å; L503-K541 HydrophobicContact CD1-CD 4.41Å; L503-K541 PolarHBondContact O-NZ 3.33Å; Y517-K541 WeakPolarHBondContact OH-CB 3.09Å; A538-K541 WeakPolarHBondContact O-CB 3.3Å; A538-K541 PolarHBondContact O-N 3.17Å; A538-K541 VanDerWaalsContact O-N 3.1Å; V539-K541 PolarHBondContact O-N 3.42Å; K541-N544 PolarHBondContact O-ND2 2.9Å
542L93.8Very high92.3Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-81.5-17.3178.7-68.2172.3000113.7C440 L503 Y517 I520 L532 A538 V539 N544 F547 P549C440-L542 VanDerWaalsContact SG-CD1 3.55Å; L503-L542 HydrophobicContact CD1-CD1 4.22Å; L503-L542 HydrophobicContact CD1-CD2 3.87Å; L503-L542 HydrophobicContact CD1-CG 3.69Å; L503-L542 HydrophobicContact CD2-CD1 3.83Å; L503-L542 HydrophobicContact CD2-CD2 4.12Å; L503-L542 HydrophobicContact CD2-CG 4.13Å; Y517-L542 HydrophobicContact CE1-CD2 4.42Å; I520-L542 HydrophobicContact CD1-CD2 4Å; L532-L542 HydrophobicContact CD1-CD1 3.81Å; A538-L542 PolarHBondContact O-N 3.03Å; A538-L542 VanDerWaalsContact O-N 3.1Å; V539-L542 PolarHBondContact O-N 3.27Å; L542-N544 PolarHBondContact O-N 3.28Å; L542-F547 HydrophobicContact CD2-CB 4.15Å; L542-F547 HydrophobicContact CD2-CD1 4.42Å; L542-F547 HydrophobicContact CD2-CD2 3.75Å; L542-F547 HydrophobicContact CD2-CE2 4.28Å; L542-F547 HydrophobicContact CD2-CG 3.84Å; L542-P549 HydrophobicContact CB-CB 4.3Å; L542-P549 HydrophobicContact CB-CG 4Å; L542-P549 WeakPolarHBondContact O-CD 3.46Å; L542-P549 WeakPolarHBondContact O-CG 3.48Å
543R91Very high92.4Very high37 Ų3731 Ų3114%0.1416%0.162CC..  trans-75.157.9-171.8-160.9-171.6171.7-174.810.3113.9H315 E426 V539 W636H315-R543 PolarHBondContact NE2-NH2 2.65Å; E426-R543 IonicContact OE1-CZ 2.98Å; E426-R543 IonicContact OE1-NE 3.79Å; E426-R543 PolarHBondContact OE1-NE 3.22Å; E426-R543 IonicContact OE1-NH2 2.64Å; E426-R543 PolarHBondContact OE1-NH2 3.12Å; E426-R543 IonicContact OE2-CZ 2.76Å; E426-R543 IonicContact OE2-NH2 2.77Å; E426-R543 PolarHBondContact OE2-NH2 2.97Å; V539-R543 WeakPolarHBondContact O-CB 3.37Å; V539-R543 PolarHBondContact O-N 3.12Å; R543-W636 HydrophobicContact CB-CZ2 4.48Å; R543-W636 HydrophobicContact CG-CZ2 3.59Å; R543-W636 PolarHBondContact O-NE1 3.06Å
544N89.5Confident92.5Very high51 Ų5129 Ų2927%0.27315%0.152SC..SBendtrans-130.5174.4-179.460.640.3000111.7K541 L542 E546 F547 M548K541-N544 PolarHBondContact O-ND2 2.9Å; L542-N544 PolarHBondContact O-N 3.28Å; N544-E546 PolarHBondContact O-N 3.5Å; N544-E546 WeakPolarHBondContact OD1-CB 3.35Å; N544-E546 PolarHBondContact OD1-N 2.74Å; N544-E546 VanDerWaalsContact OD1-N 3.11Å; N544-F547 WeakPolarHBondContact OD1-CD2 3.27Å; N544-F547 PolarHBondContact OD1-N 3.4Å; N544-M548 PolarHBondContact O-N 2.9Å
545S88.7Confident92.7Very high68 Ų6829.3 Ų29.348%0.47615%0.154SC..THydrogen-bonded Turntrans-65.4-21.2179.751.30000113.7M548 W636S545-M548 WeakPolarHBondContact O-CG 3.48Å; S545-W636 WeakPolarHBondContact CB-O 3.41Å
546E89.3Confident92.9Very high90 Ų9027.6 Ų27.642%0.42114%0.143SC..THydrogen-bonded Turntrans-75.1-49.2-179.6-179.7-179-169.600111.7R521 N544R521-E546 IonicContact CZ-OE1 3.39Å; R521-E546 VanDerWaalsContact CZ-OE1 3.29Å; R521-E546 IonicContact NE-OE1 3.14Å; R521-E546 PolarHBondContact NE-OE1 3.14Å; R521-E546 IonicContact NH2-OE1 3.2Å; R521-E546 PolarHBondContact NH2-OE1 3Å; R521-E546 IonicContact NH2-OE2 3.23Å; R521-E546 PolarHBondContact NH2-OE2 3.06Å; N544-E546 PolarHBondContact O-N 3.5Å; N544-E546 WeakPolarHBondContact OD1-CB 3.35Å; N544-E546 PolarHBondContact OD1-N 2.74Å; N544-E546 VanDerWaalsContact OD1-N 3.11Å
547F93.7Very high93Very high4 Ų427.3 Ų27.32%0.01814%0.142CC..THydrogen-bonded Turntrans-100.1-17.4-173.7-60.6-65.5000114.2P437 V438 Y517 I520 R521 L542 N544 P549P437-F547 WeakPolarHBondContact CG-O 3.31Å; V438-F547 WeakPolarHBondContact CB-O 3.35Å; V438-F547 HydrophobicContact CG2-CB 3.94Å; V438-F547 HydrophobicContact CG2-CD1 4.04Å; V438-F547 HydrophobicContact CG2-CG 4.44Å; V438-F547 WeakPolarHBondContact CG2-O 3.37Å; Y517-F547 AromaticContact CD1-CE2 3.67Å; Y517-F547 HydrophobicContact CD1-CE2 3.67Å; Y517-F547 AromaticContact CD1-CZ 3.71Å; Y517-F547 HydrophobicContact CD1-CZ 3.71Å; Y517-F547 HydrophobicContact CE1-CE2 4.17Å; Y517-F547 HydrophobicContact CG-CZ 4.4Å; I520-F547 HydrophobicContact CB-CD1 4.45Å; I520-F547 HydrophobicContact CB-CE1 4Å; I520-F547 HydrophobicContact CG2-CD1 3.64Å; I520-F547 HydrophobicContact CG2-CE1 3.69Å; R521-F547 HydrophobicContact CG-CE1 4.13Å; R521-F547 HydrophobicContact CG-CZ 4.41Å; L542-F547 HydrophobicContact CD2-CB 4.15Å; L542-F547 HydrophobicContact CD2-CD1 4.42Å; L542-F547 HydrophobicContact CD2-CD2 3.75Å; L542-F547 HydrophobicContact CD2-CE2 4.28Å; L542-F547 HydrophobicContact CD2-CG 3.84Å; N544-F547 WeakPolarHBondContact OD1-CD2 3.27Å; N544-F547 PolarHBondContact OD1-N 3.4Å; F547-P549 VanDerWaalsContact C-N 3.29Å
548M91.6Very high93.2Very high27 Ų2725.1 Ų25.113%0.13314%0.138CC..  trans31.655.8177.8-61.5-176.27800114.2F434 R436 P437 N544 S545 V632 W636F434-M548 HydrophobicContact CE2-CE 4.39Å; F434-M548 HydrophobicContact CZ-CE 3.86Å; R436-M548 WeakPolarHBondContact CD-O 3.47Å; P437-M548 HydrophobicContact CG-CB 4.13Å; N544-M548 PolarHBondContact O-N 2.9Å; S545-M548 WeakPolarHBondContact O-CG 3.48Å; M548-V632 HydrophobicContact CE-CG1 4.07Å; M548-W636 HydrophobicContact CB-CD2 4.49Å; M548-W636 HydrophobicContact CB-CE3 3.91Å; M548-W636 HydrophobicContact CB-CZ3 4.12Å; M548-W636 HydrophobicContact CE-CB 4Å; M548-W636 HydrophobicContact CE-CD2 4.48Å; M548-W636 HydrophobicContact CE-CE3 3.76Å; M548-W636 HydrophobicContact CG-CB 4.35Å; M548-W636 HydrophobicContact CG-CD2 4.19Å; M548-W636 HydrophobicContact CG-CE3 3.93Å; M548-W636 HydrophobicContact CG-CG 4.42Å
549P95.4Very high93.2Very high1 Ų126.6 Ų26.61%0.00615%0.147CC..  trans-66.5142.6-166.128.1-36.7000111.2V438 L542 F547 V551V438-P549 CarbonylContact O-C 3.47Å; V438-P549 WeakPolarHBondContact O-CA 3.47Å; L542-P549 HydrophobicContact CB-CB 4.3Å; L542-P549 HydrophobicContact CB-CG 4Å; L542-P549 WeakPolarHBondContact O-CD 3.46Å; L542-P549 WeakPolarHBondContact O-CG 3.48Å; F547-P549 VanDerWaalsContact C-N 3.29Å; P549-V551 HydrophobicContact CB-CG2 4.4Å
550Y95.8Very high93.1Very high22 Ų2230.8 Ų30.89%0.08618%0.176CC..EExtended strand (participates in β ladder)trans-101.5116.8164.9-170.9-99.2000109.4R436 V438 I439 C440 V552 D603 L604 L622 L625R436-Y550 HydrophobicContact CG-CG 4.39Å; V438-Y550 PolarHBondContact O-N 2.89Å; I439-Y550 CarbonylContact C-O 3.58Å; I439-Y550 WeakPolarHBondContact CA-O 3.47Å; C440-Y550 PolarHBondContact N-O 3.48Å; Y550-V552 HydrophobicContact CD1-CG2 3.78Å; Y550-V552 HydrophobicContact CE1-CG2 3.8Å; Y550-D603 HydrophobicContact CD2-CB 3.76Å; Y550-D603 HydrophobicContact CE1-CB 4.4Å; Y550-D603 HydrophobicContact CE2-CB 3.43Å; Y550-D603 VanDerWaalsContact CE2-CB 3.43Å; Y550-D603 HydrophobicContact CG-CB 4.37Å; Y550-L604 HydrophobicContact CE1-CB 4.22Å; Y550-L622 HydrophobicContact CD1-CD2 4.08Å; Y550-L622 HydrophobicContact CE1-CD2 4.19Å; Y550-L625 HydrophobicContact CD1-CD1 3.83Å; Y550-L625 HydrophobicContact CD2-CD1 3.91Å; Y550-L625 HydrophobicContact CD2-CD2 4.18Å; Y550-L625 HydrophobicContact CE1-CD1 3.89Å; Y550-L625 HydrophobicContact CE2-CD1 3.97Å; Y550-L625 HydrophobicContact CE2-CD2 3.6Å; Y550-L625 HydrophobicContact CE2-CG 4.43Å; Y550-L625 HydrophobicContact CG-CD1 3.84Å
551V96.1Very high93.3Very high3 Ų330.4 Ų30.42%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-102112.8-166.3-175.30000110.1C440 I442 V539 P549 L601 D603 L604C440-V551 HydrophobicContact CB-CG2 4.47Å; I442-V551 HydrophobicContact CG1-CG1 3.86Å; V539-V551 HydrophobicContact CG1-CG1 4.3Å; V539-V551 HydrophobicContact CG1-CG2 3.55Å; V539-V551 HydrophobicContact CG2-CG1 4.22Å; V539-V551 HydrophobicContact CG2-CG2 4.47Å; P549-V551 HydrophobicContact CB-CG2 4.4Å; V551-L601 VanDerWaalsContact CB-O 3.25Å; V551-L601 WeakPolarHBondContact CB-O 3.43Å; V551-L601 WeakPolarHBondContact CG2-O 3.3Å; V551-D603 PolarHBondContact N-OD2 3.16Å; V551-D603 PolarHBondContact O-N 3.43Å; V551-L604 PolarHBondContact O-N 3.42Å; V551-L604 VanDerWaalsContact O-N 3.16Å
552V97.2Very high93.2Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-106.8116.8178.7-177.10000108.8I439 C440 L441 I442 Y550 L554 L604 L606 L618I439-V552 HydrophobicContact CG2-CG2 4.22Å; C440-V552 PolarHBondContact O-N 3.07Å; L441-V552 HydrophobicContact CD2-CB 3.97Å; L441-V552 HydrophobicContact CD2-CG1 4.34Å; L441-V552 HydrophobicContact CD2-CG2 4.43Å; I442-V552 PolarHBondContact N-O 3.12Å; Y550-V552 HydrophobicContact CD1-CG2 3.78Å; Y550-V552 HydrophobicContact CE1-CG2 3.8Å; V552-L554 HydrophobicContact CG1-CD2 4.24Å; V552-L604 CarbonylContact C-O 3.25Å; V552-L604 WeakPolarHBondContact CA-O 3.47Å; V552-L604 HydrophobicContact CG1-CD2 4.27Å; V552-L604 HydrophobicContact CG1-CG 4.49Å; V552-L604 HydrophobicContact CG2-CB 4.39Å; V552-L604 HydrophobicContact CG2-CD2 4.43Å; V552-L606 HydrophobicContact CG1-CD1 4.18Å; V552-L618 HydrophobicContact CB-CD1 4.48Å; V552-L618 HydrophobicContact CG1-CD1 3.93Å; V552-L618 HydrophobicContact CG2-CD1 3.88Å
553F97.2Very high93Very high0 Ų029.3 Ų29.30%017%0.169CC..EExtended strand (participates in β ladder)trans-95.2123.7174.9177.7-112.9000111.1I442 A555 S591 I594 E595 M602 L604 I605 L606I442-F553 HydrophobicContact CB-CD2 4.45Å; I442-F553 HydrophobicContact CG2-CD2 4.29Å; I442-F553 CarbonylContact O-C 3.58Å; I442-F553 WeakPolarHBondContact O-CA 3.26Å; F553-A555 HydrophobicContact CD1-CB 4.25Å; F553-A555 HydrophobicContact CE1-CB 3.76Å; F553-S591 WeakPolarHBondContact CZ-O 3.26Å; F553-S591 WeakPolarHBondContact CZ-OG 3.32Å; F553-I594 HydrophobicContact CD2-CG2 3.97Å; F553-I594 HydrophobicContact CE2-CB 3.9Å; F553-I594 HydrophobicContact CE2-CG2 3.49Å; F553-I594 VanDerWaalsContact CE2-CG2 3.49Å; F553-I594 HydrophobicContact CZ-CB 4.32Å; F553-I594 HydrophobicContact CZ-CG2 4.27Å; F553-E595 HydrophobicContact CD1-CG 4.49Å; F553-E595 HydrophobicContact CE1-CB 3.68Å; F553-E595 HydrophobicContact CE1-CG 3.97Å; F553-E595 HydrophobicContact CZ-CB 3.98Å; F553-M602 HydrophobicContact CB-CB 4.44Å; F553-M602 HydrophobicContact CB-CE 3.84Å; F553-M602 HydrophobicContact CB-CG 3.88Å; F553-M602 HydrophobicContact CB-SD 3.37Å; F553-M602 WeakPolarHBondContact CB-SD 3.35Å; F553-M602 HydrophobicContact CD1-CE 3.95Å; F553-M602 HydrophobicContact CD1-SD 3.73Å; F553-M602 HydrophobicContact CD2-CE 3.51Å; F553-M602 HydrophobicContact CD2-SD 4.17Å; F553-M602 HydrophobicContact CE1-CE 4.42Å; F553-M602 HydrophobicContact CE2-CE 4.01Å; F553-M602 HydrophobicContact CG-CE 3.48Å; F553-M602 VanDerWaalsContact CG-CE 3.48Å; F553-M602 HydrophobicContact CG-SD 3.49Å; F553-M602 WeakPolarHBondContact CG-SD 3.32Å; F553-M602 HydrophobicContact CZ-CE 4.44Å; F553-L604 PolarHBondContact N-O 2.92Å; F553-I605 HydrophobicContact CB-CG1 4.26Å; F553-I605 HydrophobicContact CD1-CG1 4.16Å; F553-I605 HydrophobicContact CD1-CG2 3.9Å; F553-I605 WeakPolarHBondContact O-CA 3.28Å; F553-L606 PolarHBondContact O-N 3.25Å
554L96.9Very high92.9Very high0 Ų030.1 Ų30.10%018%0.184CC..EExtended strand (participates in β ladder)trans-93.599.5173.3-56.7-175.7000108.9I442 V447 R449 L452 V552 L606 T614I442-L554 PolarHBondContact O-N 2.91Å; V447-L554 HydrophobicContact CG2-CB 3.83Å; V447-L554 HydrophobicContact CG2-CD1 4.38Å; R449-L554 HydrophobicContact CB-CD1 4.44Å; R449-L554 HydrophobicContact CG-CD1 3.9Å; L452-L554 HydrophobicContact CD2-CD1 3.71Å; L452-L554 HydrophobicContact CD2-CD2 3.73Å; L452-L554 HydrophobicContact CD2-CG 4.35Å; V552-L554 HydrophobicContact CG1-CD2 4.24Å; L554-L606 CarbonylContact C-O 3.57Å; L554-L606 WeakPolarHBondContact CA-O 3.22Å; L554-L606 HydrophobicContact CD2-CB 4.23Å; L554-T614 HydrophobicContact CD2-CG2 4.14Å
555A96.2Very high92.7Very high8 Ų830.8 Ų30.87%0.06619%0.186CC..EExtended strand (participates in β ladder)trans-71.5132.5176.600000110.3F553 I605 L606 L607 C608F553-A555 HydrophobicContact CD1-CB 4.25Å; F553-A555 HydrophobicContact CE1-CB 3.76Å; A555-I605 HydrophobicContact CB-CG2 4.27Å; A555-L606 PolarHBondContact N-O 3.12Å; A555-L607 HydrophobicContact CB-CD1 4.37Å; A555-C608 PolarHBondContact O-N 3.11Å
556A95.2Very high92.5Very high8 Ų829.2 Ų29.27%0.06617%0.17CC..  trans-68.4134.3175.900000110.4V447 M562 T587 L588 S591V447-A556 HydrophobicContact CG1-CB 3.85Å; A556-M562 HydrophobicContact CB-CE 4.36Å; A556-M562 HydrophobicContact CB-SD 4.09Å; A556-T587 HydrophobicContact CB-CG2 4.1Å; A556-L588 HydrophobicContact CB-CD1 4.31Å; A556-S591 PolarHBondContact N-OG 3.11Å
557P93.8Very high92.3Very high8 Ų829.4 Ų29.45%0.05217%0.17CC..  trans-74.9-177.7172.935.4-36.7000110.5C561 M562 M565 L607 C608 D609P557-C561 HydrophobicContact CB-CB 3.96Å; P557-C561 HydrophobicContact CG-CB 4.24Å; P557-M562 HydrophobicContact CG-CG 3.54Å; P557-M562 WeakPolarHBondContact O-CE 3.34Å; P557-M565 HydrophobicContact CG-SD 4.17Å; P557-L607 HydrophobicContact CB-CD1 4.23Å; P557-C608 WeakPolarHBondContact CD-O 3.43Å; P557-C608 VanDerWaalsContact CG-O 3.31Å; P557-C608 WeakPolarHBondContact CG-O 3.38Å; P557-D609 HydrophobicContact CB-CB 4.06Å
558S93.1Very high91.9Very high59 Ų5935.9 Ų35.941%0.41320%0.196SC..  trans-57.9153.8177.868.90000112.2S560 C561 M562S558-S560 PolarHBondContact O-N 2.71Å; S558-S560 PolarHBondContact OG-OG 3.13Å; S558-S560 VanDerWaalsContact OG-OG 3.08Å; S558-C561 WeakPolarHBondContact O-CA 3.32Å; S558-C561 WeakPolarHBondContact O-CB 3.31Å; S558-C561 PolarHBondContact O-N 2.75Å; S558-C561 WeakPolarHBondContact OG-CB 3.34Å; S558-C561 PolarHBondContact OG-N 3.33Å; S558-M562 PolarHBondContact O-N 3.14Å
559V91.5Very high91.4Very high32 Ų3235.1 Ų35.119%0.19420%0.195CC..Hα-helixtrans-53-41.7177.4173.80000111.8M562 K563 F584 R585 L588V559-M562 PolarHBondContact O-N 3.41Å; V559-K563 VanDerWaalsContact O-CB 3.3Å; V559-K563 WeakPolarHBondContact O-CB 3.29Å; V559-K563 PolarHBondContact O-N 2.79Å; V559-F584 HydrophobicContact CG1-CB 3.9Å; V559-R585 HydrophobicContact CG2-CG 4.06Å; V559-L588 HydrophobicContact CG2-CB 4.46Å; V559-L588 HydrophobicContact CG2-CD2 3.91Å
560S91.4Very high90.8Very high89 Ų8937.5 Ų37.562%0.62221%0.206SC*.Hα-helixtrans-65.1-38.6177.849.60000112.7S558 A564S558-S560 PolarHBondContact O-N 2.71Å; S558-S560 PolarHBondContact OG-OG 3.13Å; S558-S560 VanDerWaalsContact OG-OG 3.08Å; S560-A564 WeakPolarHBondContact O-CB 3.26Å; S560-A564 PolarHBondContact O-N 3.36Å
561C90.4Very high90.1Very high35 Ų3540.8 Ų40.824%0.23623%0.233CC..Hα-helixtrans-67.2-49.9175.4178.30000111.3P557 S558 K563 A564 M565P557-C561 HydrophobicContact CB-CB 3.96Å; P557-C561 HydrophobicContact CG-CB 4.24Å; S558-C561 WeakPolarHBondContact O-CA 3.32Å; S558-C561 WeakPolarHBondContact O-CB 3.31Å; S558-C561 PolarHBondContact O-N 2.75Å; S558-C561 WeakPolarHBondContact OG-CB 3.34Å; S558-C561 PolarHBondContact OG-N 3.33Å; C561-K563 VanDerWaalsContact C-N 3.26Å; C561-K563 PolarHBondContact O-N 3.25Å; C561-A564 PolarHBondContact O-N 3.41Å; C561-A564 VanDerWaalsContact O-N 3.14Å; C561-M565 VanDerWaalsContact O-CG 3.3Å; C561-M565 WeakPolarHBondContact O-CG 3.38Å; C561-M565 PolarHBondContact O-N 2.85Å
562M90.4Very high89.4Confident16 Ų1645.6 Ų45.68%0.07926%0.256CS..Hα-helixtrans-57.7-40.2177-68.8-167.5-80.600112.3A556 P557 S558 V559 M565 Y566 F584 T587 L588A556-M562 HydrophobicContact CB-CE 4.36Å; A556-M562 HydrophobicContact CB-SD 4.09Å; P557-M562 HydrophobicContact CG-CG 3.54Å; P557-M562 WeakPolarHBondContact O-CE 3.34Å; S558-M562 PolarHBondContact O-N 3.14Å; V559-M562 PolarHBondContact O-N 3.41Å; M562-M565 PolarHBondContact O-N 3.2Å; M562-Y566 WeakPolarHBondContact O-CB 3.25Å; M562-Y566 PolarHBondContact O-N 3.39Å; M562-F584 HydrophobicContact CB-CD1 3.63Å; M562-F584 HydrophobicContact CB-CE1 4.13Å; M562-F584 HydrophobicContact CB-CG 4.36Å; M562-F584 HydrophobicContact CE-CB 4.12Å; M562-F584 WeakPolarHBondContact CE-O 3.48Å; M562-F584 HydrophobicContact SD-CD1 4.46Å; M562-T587 HydrophobicContact CE-CG2 4.39Å; M562-T587 HydrophobicContact SD-CG2 3.77Å; M562-L588 HydrophobicContact CE-CB 4.01Å
563K88.9Confident88.2Confident58 Ų5848.2 Ų48.225%0.25228%0.284SS..Hα-helixtrans-64.2-45.5177.3-169.9171.6-180169.50111.6V559 C561 M565 Y566 E567 D581 F584V559-K563 VanDerWaalsContact O-CB 3.3Å; V559-K563 WeakPolarHBondContact O-CB 3.29Å; V559-K563 PolarHBondContact O-N 2.79Å; C561-K563 VanDerWaalsContact C-N 3.26Å; C561-K563 PolarHBondContact O-N 3.25Å; K563-M565 PolarHBondContact O-N 2.87Å; K563-Y566 PolarHBondContact O-N 2.84Å; K563-E567 WeakPolarHBondContact CE-OE1 3.41Å; K563-E567 WeakPolarHBondContact O-CB 3.4Å; K563-E567 WeakPolarHBondContact O-CG 3.35Å; K563-E567 PolarHBondContact O-N 2.96Å; K563-D581 VanDerWaalsContact CE-OD1 3.27Å; K563-D581 WeakPolarHBondContact CE-OD1 3.4Å; K563-D581 IonicContact NZ-OD1 3.6Å; K563-D581 PolarHBondContact NZ-OD1 2.81Å; K563-D581 IonicContact NZ-OD2 3.03Å; K563-D581 PolarHBondContact NZ-OD2 3.04Å; K563-F584 HydrophobicContact CB-CD2 4.39Å; K563-F584 HydrophobicContact CB-CE2 4.24Å; K563-F584 HydrophobicContact CG-CE2 4.2Å
564A88.5Confident87Confident54 Ų5456 Ų5645%0.44632%0.318SS..Hα-helixtrans-62.2-40.9175.400000112.5S560 C561 Y566 E567 Y568S560-A564 WeakPolarHBondContact O-CB 3.26Å; S560-A564 PolarHBondContact O-N 3.36Å; C561-A564 PolarHBondContact O-N 3.41Å; C561-A564 VanDerWaalsContact O-N 3.14Å; A564-Y566 VanDerWaalsContact C-N 3.33Å; A564-E567 PolarHBondContact O-N 3Å; A564-Y568 WeakPolarHBondContact O-CB 3.45Å; A564-Y568 PolarHBondContact O-N 2.86Å
565M85.6Confident85.6Confident64 Ų6457.8 Ų57.832%0.31533%0.329SS..Hα-helixtrans-63.7-39.9174.9-66168.277.300111.7P557 C561 M562 K563 Y568 G569 D609P557-M565 HydrophobicContact CG-SD 4.17Å; C561-M565 VanDerWaalsContact O-CG 3.3Å; C561-M565 WeakPolarHBondContact O-CG 3.38Å; C561-M565 PolarHBondContact O-N 2.85Å; M562-M565 PolarHBondContact O-N 3.2Å; K563-M565 PolarHBondContact O-N 2.87Å; M565-Y568 PolarHBondContact O-N 2.85Å; M565-G569 PolarHBondContact O-N 2.96Å; M565-D609 WeakPolarHBondContact CE-O 3.41Å
566Y85.3Confident84.2Confident35 Ų3566 Ų6614%0.13737%0.365CS..Hα-helixtrans-66.8-46.2177.7-163.9-103.1000111.9M562 K563 A564 Y568 G569 M570 T575 K577 K579 F584M562-Y566 WeakPolarHBondContact O-CB 3.25Å; M562-Y566 PolarHBondContact O-N 3.39Å; K563-Y566 PolarHBondContact O-N 2.84Å; A564-Y566 VanDerWaalsContact C-N 3.33Å; Y566-Y568 VanDerWaalsContact C-N 3.29Å; Y566-Y568 PolarHBondContact O-N 3.38Å; Y566-G569 PolarHBondContact O-N 3.1Å; Y566-G569 VanDerWaalsContact O-N 3.16Å; Y566-M570 HydrophobicContact CD1-CG 4.15Å; Y566-M570 HydrophobicContact CD1-SD 3.83Å; Y566-M570 HydrophobicContact CE1-CG 4.03Å; Y566-M570 HydrophobicContact CE1-SD 3.64Å; Y566-M570 WeakPolarHBondContact O-CG 3.18Å; Y566-M570 PolarHBondContact O-N 3.22Å; Y566-T575 HydrophobicContact CD2-CG2 4.33Å; Y566-T575 HydrophobicContact CE2-CG2 3.81Å; Y566-T575 PolarHBondContact OH-OG1 2.97Å; Y566-K577 WeakPolarHBondContact CE1-O 3.48Å; Y566-K577 PolarHBondContact OH-O 3.46Å; Y566-K579 HydrophobicContact CD1-CB 4.24Å; Y566-K579 HydrophobicContact CD2-CD 4.09Å; Y566-K579 HydrophobicContact CE1-CB 3.78Å; Y566-K579 HydrophobicContact CE1-CD 4.3Å; Y566-K579 HydrophobicContact CE1-CG 3.98Å; Y566-K579 HydrophobicContact CE2-CD 3.61Å; Y566-K579 HydrophobicContact CE2-CG 4.09Å; Y566-F584 HydrophobicContact CD1-CZ 4.05Å; Y566-F584 HydrophobicContact CD2-CZ 4.4Å; Y566-F584 HydrophobicContact CG-CE1 4.23Å; Y566-F584 AromaticContact CG-CZ 3.78Å; Y566-F584 HydrophobicContact CG-CZ 3.78Å
567E85.3Confident83.2Confident94 Ų9473.9 Ų73.944%0.43940%0.398SS..Hα-helixtrans-59.5-40.3174.8-73.1170.8-176.400111.4K563 A564 M570 S571K563-E567 WeakPolarHBondContact CE-OE1 3.41Å; K563-E567 WeakPolarHBondContact O-CB 3.4Å; K563-E567 WeakPolarHBondContact O-CG 3.35Å; K563-E567 PolarHBondContact O-N 2.96Å; A564-E567 PolarHBondContact O-N 3Å; E567-M570 PolarHBondContact O-N 3.1Å; E567-S571 PolarHBondContact O-N 3.23Å
568Y84.5Confident82.2Confident141 Ų14182.6 Ų82.655%0.55343%0.43SS*.Hα-helixtrans-62.5-47.4172.5-179.2-102.5000111.8A564 M565 Y566 M570 S571 M572A564-Y568 WeakPolarHBondContact O-CB 3.45Å; A564-Y568 PolarHBondContact O-N 2.86Å; M565-Y568 PolarHBondContact O-N 2.85Å; Y566-Y568 VanDerWaalsContact C-N 3.29Å; Y566-Y568 PolarHBondContact O-N 3.38Å; Y568-M570 VanDerWaalsContact C-N 3.28Å; Y568-M570 PolarHBondContact O-N 3.13Å; Y568-S571 PolarHBondContact O-N 3.45Å; Y568-S571 VanDerWaalsContact O-N 3.08Å; Y568-S571 PolarHBondContact O-OG 2.85Å; Y568-M572 HydrophobicContact CD1-CG 4.4Å; Y568-M572 HydrophobicContact CE1-CG 3.97Å; Y568-M572 HydrophobicContact CE2-CG 4.2Å; Y568-M572 HydrophobicContact CE2-SD 4.5Å; Y568-M572 WeakPolarHBondContact O-CG 3.08Å; Y568-M572 PolarHBondContact O-N 3.45Å
569G81.7Confident81.5Confident11 Ų1183.3 Ų83.311%0.11343%0.426CS..Hα-helixtrans-60.7-36176.400000113.3M565 Y566 M572 G573 F574M565-G569 PolarHBondContact O-N 2.96Å; Y566-G569 PolarHBondContact O-N 3.1Å; Y566-G569 VanDerWaalsContact O-N 3.16Å; G569-M572 PolarHBondContact O-N 2.83Å; G569-G573 PolarHBondContact O-N 2.69Å; G569-F574 WeakPolarHBondContact O-CB 3.15Å; G569-F574 PolarHBondContact O-N 2.63Å
570M82.5Confident81Confident50 Ų5091.2 Ų91.225%0.24645%0.453CS..Hα-helixtrans-64.9-44.1171.5-70.6-175.17100111.6Y566 E567 Y568 M572 G573 T575 W578Y566-M570 HydrophobicContact CD1-CG 4.15Å; Y566-M570 HydrophobicContact CD1-SD 3.83Å; Y566-M570 HydrophobicContact CE1-CG 4.03Å; Y566-M570 HydrophobicContact CE1-SD 3.64Å; Y566-M570 WeakPolarHBondContact O-CG 3.18Å; Y566-M570 PolarHBondContact O-N 3.22Å; E567-M570 PolarHBondContact O-N 3.1Å; Y568-M570 VanDerWaalsContact C-N 3.28Å; Y568-M570 PolarHBondContact O-N 3.13Å; M570-M572 PolarHBondContact O-N 2.8Å; M570-G573 PolarHBondContact O-N 2.69Å; M570-T575 WeakPolarHBondContact CA-O 3.41Å; M570-T575 HydrophobicContact CG-CG2 3.75Å; M570-T575 WeakPolarHBondContact CG-O 3.41Å; M570-W578 HydrophobicContact CE-CD2 4.46Å; M570-W578 HydrophobicContact CE-CE3 3.8Å; M570-W578 HydrophobicContact CE-CZ3 4.27Å; M570-W578 HydrophobicContact SD-CE3 4.39Å
571S81.4Confident80.6Confident91 Ų9189.9 Ų89.964%0.63644%0.438SS*.Hα-helixtrans-63.4-27.7178.676.40000113.4E567 Y568E567-S571 PolarHBondContact O-N 3.23Å; Y568-S571 PolarHBondContact O-N 3.45Å; Y568-S571 VanDerWaalsContact O-N 3.08Å; Y568-S571 PolarHBondContact O-OG 2.85Å
572M80Confident80.5Confident104 Ų10493.4 Ų93.451%0.51245%0.451SS..THydrogen-bonded Turntrans-90.1-0.2177-63.4-67.3-86.300113.2Y568 G569 M570 F574Y568-M572 HydrophobicContact CD1-CG 4.4Å; Y568-M572 HydrophobicContact CE1-CG 3.97Å; Y568-M572 HydrophobicContact CE2-CG 4.2Å; Y568-M572 HydrophobicContact CE2-SD 4.5Å; Y568-M572 WeakPolarHBondContact O-CG 3.08Å; Y568-M572 PolarHBondContact O-N 3.45Å; G569-M572 PolarHBondContact O-N 2.83Å; M570-M572 PolarHBondContact O-N 2.8Å; M572-F574 HydrophobicContact CB-CD2 3.62Å; M572-F574 HydrophobicContact CB-CE2 3.51Å; M572-F574 HydrophobicContact CB-CG 4.42Å; M572-F574 HydrophobicContact CB-CZ 4.24Å; M572-F574 HydrophobicContact CG-CE2 4.2Å
573G73Confident80.3Confident56 Ų5694.7 Ų94.758%0.57746%0.462SS*.THydrogen-bonded Turntrans76.215179.500000115.1G569 M570 T575G569-G573 PolarHBondContact O-N 2.69Å; M570-G573 PolarHBondContact O-N 2.69Å; G573-T575 VanDerWaalsContact C-N 3.34Å
574F71Confident80.4Confident164 Ų16492.5 Ų92.572%0.71945%0.452SS*.SBendtrans-78.1-18.3177.9-62.2-50.3000113.5G569 M572G569-F574 WeakPolarHBondContact O-CB 3.15Å; G569-F574 PolarHBondContact O-N 2.63Å; M572-F574 HydrophobicContact CB-CD2 3.62Å; M572-F574 HydrophobicContact CB-CE2 3.51Å; M572-F574 HydrophobicContact CB-CG 4.42Å; M572-F574 HydrophobicContact CB-CZ 4.24Å; M572-F574 HydrophobicContact CG-CE2 4.2Å
575T68.4Low80.6Confident37 Ų3795.5 Ų95.523%0.22745%0.452CS..  trans-153.1134.8177.9169.60000109.9Y566 M570 G573Y566-T575 HydrophobicContact CD2-CG2 4.33Å; Y566-T575 HydrophobicContact CE2-CG2 3.81Å; Y566-T575 PolarHBondContact OH-OG1 2.97Å; M570-T575 WeakPolarHBondContact CA-O 3.41Å; M570-T575 HydrophobicContact CG-CG2 3.75Å; M570-T575 WeakPolarHBondContact CG-O 3.41Å; G573-T575 VanDerWaalsContact C-N 3.34Å
576E65.5Low80.9Confident179 Ų17999 Ų9984%0.83647%0.466SS*.  trans-104.3-22.6179.1-61.9-177.1168.400112.8
577K74.8Confident81.3Confident174 Ų17498.3 Ų98.376%0.75747%0.465SS*.SBendtrans-74.2138-177.5-65.7-176179.41790109.7Y566Y566-K577 WeakPolarHBondContact CE1-O 3.48Å; Y566-K577 PolarHBondContact OH-O 3.46Å
578W73.8Confident81.7Confident191 Ų19196.2 Ų96.272%0.72346%0.456SS*.PPolyproline II helixtrans-83.4133.4173.1-157.9-72000110.1M570M570-W578 HydrophobicContact CE-CD2 4.46Å; M570-W578 HydrophobicContact CE-CE3 3.8Å; M570-W578 HydrophobicContact CE-CZ3 4.27Å; M570-W578 HydrophobicContact SD-CE3 4.39Å
579K78Confident82.2Confident75 Ų7595 Ų9533%0.32646%0.456SS..PPolyproline II helixtrans-97.9134.2172.7-85.9-176.1-174.7-178.80111.1Y566 F584Y566-K579 HydrophobicContact CD1-CB 4.24Å; Y566-K579 HydrophobicContact CD2-CD 4.09Å; Y566-K579 HydrophobicContact CE1-CB 3.78Å; Y566-K579 HydrophobicContact CE1-CD 4.3Å; Y566-K579 HydrophobicContact CE1-CG 3.98Å; Y566-K579 HydrophobicContact CE2-CD 3.61Å; Y566-K579 HydrophobicContact CE2-CG 4.09Å; K579-F584 HydrophobicContact CB-CE2 4.03Å; K579-F584 HydrophobicContact CB-CZ 3.83Å; K579-F584 HydrophobicContact CD-CE1 4.3Å; K579-F584 HydrophobicContact CD-CZ 4.28Å
580R80.6Confident82.8Confident198 Ų19896.6 Ų96.675%0.74746%0.463SS*.PPolyproline II helixtrans-71.6148.7173.8-67.7-168.3-70161.2-2.6110.4E582 S583R580-E582 PolarHBondContact O-N 3.48Å; R580-E582 VanDerWaalsContact O-N 3.09Å; R580-S583 WeakPolarHBondContact O-CB 3.48Å; R580-S583 PolarHBondContact O-N 3.48Å; R580-S583 PolarHBondContact O-OG 2.95Å
581D82.4Confident83.4Confident61 Ų6194.3 Ų94.333%0.32645%0.452SS..Hα-helixtrans-54.5-32.3177.5-73.85.6000113K563 S583 F584 R585K563-D581 VanDerWaalsContact CE-OD1 3.27Å; K563-D581 WeakPolarHBondContact CE-OD1 3.4Å; K563-D581 IonicContact NZ-OD1 3.6Å; K563-D581 PolarHBondContact NZ-OD1 2.81Å; K563-D581 IonicContact NZ-OD2 3.03Å; K563-D581 PolarHBondContact NZ-OD2 3.04Å; D581-S583 VanDerWaalsContact C-N 3.26Å; D581-S583 PolarHBondContact O-N 3.33Å; D581-F584 PolarHBondContact O-N 2.98Å; D581-R585 PolarHBondContact O-N 3.01Å
582E88.3Confident84.1Confident109 Ų10993.5 Ų93.551%0.50944%0.444SS..Hα-helixtrans-58.7-34.7175-166.554.9-149.300113.4R580 F584 R585 K586R580-E582 PolarHBondContact O-N 3.48Å; R580-E582 VanDerWaalsContact O-N 3.09Å; E582-F584 VanDerWaalsContact C-N 3.34Å; E582-F584 PolarHBondContact O-N 3Å; E582-R585 PolarHBondContact O-N 2.99Å; E582-K586 WeakPolarHBondContact O-CB 3.3Å; E582-K586 PolarHBondContact O-N 3.3Å
583S87.6Confident84.7Confident42 Ų4294.6 Ų94.629%0.29444%0.443SS..Hα-helixtrans-66.6-37.2178.667.50000112R580 D581 T587R580-S583 WeakPolarHBondContact O-CB 3.48Å; R580-S583 PolarHBondContact O-N 3.48Å; R580-S583 PolarHBondContact O-OG 2.95Å; D581-S583 VanDerWaalsContact C-N 3.26Å; D581-S583 PolarHBondContact O-N 3.33Å; S583-T587 PolarHBondContact O-N 3.38Å; S583-T587 PolarHBondContact O-OG1 3.48Å; S583-T587 VanDerWaalsContact O-OG1 3.11Å
584F90.1Very high85.7Confident12 Ų1292.6 Ų92.65%0.05342%0.419CS..Hα-helixtrans-70.7-38.9176.5-60.9-64.5000111.6V559 M562 K563 Y566 K579 D581 E582 T587 L588V559-F584 HydrophobicContact CG1-CB 3.9Å; M562-F584 HydrophobicContact CB-CD1 3.63Å; M562-F584 HydrophobicContact CB-CE1 4.13Å; M562-F584 HydrophobicContact CB-CG 4.36Å; M562-F584 HydrophobicContact CE-CB 4.12Å; M562-F584 WeakPolarHBondContact CE-O 3.48Å; M562-F584 HydrophobicContact SD-CD1 4.46Å; K563-F584 HydrophobicContact CB-CD2 4.39Å; K563-F584 HydrophobicContact CB-CE2 4.24Å; K563-F584 HydrophobicContact CG-CE2 4.2Å; Y566-F584 HydrophobicContact CD1-CZ 4.05Å; Y566-F584 HydrophobicContact CD2-CZ 4.4Å; Y566-F584 HydrophobicContact CG-CE1 4.23Å; Y566-F584 AromaticContact CG-CZ 3.78Å; Y566-F584 HydrophobicContact CG-CZ 3.78Å; K579-F584 HydrophobicContact CB-CE2 4.03Å; K579-F584 HydrophobicContact CB-CZ 3.83Å; K579-F584 HydrophobicContact CD-CE1 4.3Å; K579-F584 HydrophobicContact CD-CZ 4.28Å; D581-F584 PolarHBondContact O-N 2.98Å; E582-F584 VanDerWaalsContact C-N 3.34Å; E582-F584 PolarHBondContact O-N 3Å; F584-T587 PolarHBondContact O-N 3.46Å; F584-L588 PolarHBondContact O-N 3.18Å
585R92.7Very high86.7Confident118 Ų11888.1 Ų88.145%0.44540%0.4SS..Hα-helixtrans-59.5-49.9173-72.4-172175.8843111.3V559 D581 E582 T587 L588 E589V559-R585 HydrophobicContact CG2-CG 4.06Å; D581-R585 PolarHBondContact O-N 3.01Å; E582-R585 PolarHBondContact O-N 2.99Å; R585-T587 VanDerWaalsContact C-N 3.31Å; R585-T587 PolarHBondContact O-N 3.01Å; R585-L588 WeakPolarHBondContact O-CB 3.5Å; R585-L588 PolarHBondContact O-N 3.48Å; R585-L588 VanDerWaalsContact O-N 3.07Å; R585-E589 WeakPolarHBondContact O-CG 3.48Å; R585-E589 PolarHBondContact O-N 2.88Å
586K93Very high87.6Confident138 Ų13896.2 Ų96.260%0.643%0.426SS*.Hα-helixtrans-58.4-40.4176.5-172.9174.8-178.6176.70112.7E582 T590E582-K586 WeakPolarHBondContact O-CB 3.3Å; E582-K586 PolarHBondContact O-N 3.3Å; K586-T590 VanDerWaalsContact O-CB 3.29Å; K586-T590 WeakPolarHBondContact O-CB 3.46Å; K586-T590 PolarHBondContact O-N 3.23Å; K586-T590 PolarHBondContact O-OG1 3.37Å
587T92.3Very high88.6Confident19 Ų1992.1 Ų92.112%0.11741%0.408CS..Hα-helixtrans-62-44174.7-65.50000111.4A444 P445 V447 A556 M562 S583 F584 R585 T590 S591A444-T587 HydrophobicContact CB-CG2 3.76Å; A444-T587 WeakPolarHBondContact CB-O 3.45Å; P445-T587 PolarHBondContact O-OG1 3.41Å; V447-T587 HydrophobicContact CG1-CG2 3.75Å; A556-T587 HydrophobicContact CB-CG2 4.1Å; M562-T587 HydrophobicContact CE-CG2 4.39Å; M562-T587 HydrophobicContact SD-CG2 3.77Å; S583-T587 PolarHBondContact O-N 3.38Å; S583-T587 PolarHBondContact O-OG1 3.48Å; S583-T587 VanDerWaalsContact O-OG1 3.11Å; F584-T587 PolarHBondContact O-N 3.46Å; R585-T587 VanDerWaalsContact C-N 3.31Å; R585-T587 PolarHBondContact O-N 3.01Å; T587-T590 PolarHBondContact O-N 3Å; T587-S591 WeakPolarHBondContact O-CB 3.49Å; T587-S591 PolarHBondContact O-N 3.4Å
588L94.1Very high89.2Confident51 Ų5185.3 Ų85.327%0.26738%0.377SS..Hα-helixtrans-64.8-47.9177.9-177.959.8000111.7A556 V559 M562 F584 R585 T590 S591 T592A556-L588 HydrophobicContact CB-CD1 4.31Å; V559-L588 HydrophobicContact CG2-CB 4.46Å; V559-L588 HydrophobicContact CG2-CD2 3.91Å; M562-L588 HydrophobicContact CE-CB 4.01Å; F584-L588 PolarHBondContact O-N 3.18Å; R585-L588 WeakPolarHBondContact O-CB 3.5Å; R585-L588 PolarHBondContact O-N 3.48Å; R585-L588 VanDerWaalsContact O-N 3.07Å; L588-T590 VanDerWaalsContact C-N 3.33Å; L588-T590 PolarHBondContact O-N 3.01Å; L588-S591 WeakPolarHBondContact O-CB 3.46Å; L588-S591 PolarHBondContact O-N 3.03Å; L588-S591 VanDerWaalsContact O-N 3.14Å; L588-T592 HydrophobicContact CD1-CG2 4.31Å; L588-T592 WeakPolarHBondContact O-CG2 3.48Å; L588-T592 PolarHBondContact O-N 3.43Å; L588-T592 PolarHBondContact O-OG1 2.97Å
589E94.9Very high89.8Confident116 Ų11679 Ų7954%0.54236%0.358SS..Hα-helixtrans-59.6-42.1176.6-71.3170-175.300112.4R585 S591 T592 Y593R585-E589 WeakPolarHBondContact O-CG 3.48Å; R585-E589 PolarHBondContact O-N 2.88Å; E589-S591 VanDerWaalsContact C-N 3.33Å; E589-T592 PolarHBondContact O-OG1 3.4Å; E589-Y593 VanDerWaalsContact O-CB 3.29Å; E589-Y593 WeakPolarHBondContact O-CB 3.23Å; E589-Y593 PolarHBondContact O-N 3.32Å
590T94.2Very high90.1Very high44 Ų4477.8 Ų77.827%0.2735%0.352SS..Hα-helixtrans-65.5-39.9176.1-55.60000110.7A444 K586 T587 L588 I594A444-T590 HydrophobicContact CB-CG2 4.02Å; K586-T590 VanDerWaalsContact O-CB 3.29Å; K586-T590 WeakPolarHBondContact O-CB 3.46Å; K586-T590 PolarHBondContact O-N 3.23Å; K586-T590 PolarHBondContact O-OG1 3.37Å; T587-T590 PolarHBondContact O-N 3Å; L588-T590 VanDerWaalsContact C-N 3.33Å; L588-T590 PolarHBondContact O-N 3.01Å; T590-I594 HydrophobicContact CG2-CD1 3.87Å; T590-I594 HydrophobicContact CG2-CG1 4.46Å; T590-I594 VanDerWaalsContact O-CG1 3.24Å; T590-I594 WeakPolarHBondContact O-CG1 3.24Å; T590-I594 PolarHBondContact O-N 3.31Å
591S95.8Very high90.5Very high2 Ų268.9 Ų68.91%0.01432%0.319CS..Hα-helixtrans-63.3-49.5177.7-173.10000111.3F553 A556 T587 L588 E589 Y593 I594 E595F553-S591 WeakPolarHBondContact CZ-O 3.26Å; F553-S591 WeakPolarHBondContact CZ-OG 3.32Å; A556-S591 PolarHBondContact N-OG 3.11Å; T587-S591 WeakPolarHBondContact O-CB 3.49Å; T587-S591 PolarHBondContact O-N 3.4Å; L588-S591 WeakPolarHBondContact O-CB 3.46Å; L588-S591 PolarHBondContact O-N 3.03Å; L588-S591 VanDerWaalsContact O-N 3.14Å; E589-S591 VanDerWaalsContact C-N 3.33Å; S591-Y593 VanDerWaalsContact C-N 3.31Å; S591-Y593 PolarHBondContact O-N 2.85Å; S591-I594 PolarHBondContact O-N 2.92Å; S591-E595 WeakPolarHBondContact O-CB 3.48Å; S591-E595 PolarHBondContact O-N 2.92Å
592T95.2Very high90.9Very high74 Ų7467 Ų6745%0.45431%0.308SS..Hα-helixtrans-65-36.1180560000111.9L588 E589 R596L588-T592 HydrophobicContact CD1-CG2 4.31Å; L588-T592 WeakPolarHBondContact O-CG2 3.48Å; L588-T592 PolarHBondContact O-N 3.43Å; L588-T592 PolarHBondContact O-OG1 2.97Å; E589-T592 PolarHBondContact O-OG1 3.4Å; T592-R596 VanDerWaalsContact O-CB 3.27Å; T592-R596 WeakPolarHBondContact O-CB 3.47Å; T592-R596 PolarHBondContact O-N 2.89Å
593Y93.9Very high91.1Very high126 Ų12664.4 Ų64.449%0.49430%0.298SS..Hα-helixtrans-61.7-49.5172.3172.9-101000112E589 S591 E595 R596 E597 Y598E589-Y593 VanDerWaalsContact O-CB 3.29Å; E589-Y593 WeakPolarHBondContact O-CB 3.23Å; E589-Y593 PolarHBondContact O-N 3.32Å; S591-Y593 VanDerWaalsContact C-N 3.31Å; S591-Y593 PolarHBondContact O-N 2.85Å; Y593-E595 VanDerWaalsContact C-N 3.35Å; Y593-E595 PolarHBondContact O-N 3.19Å; Y593-R596 PolarHBondContact O-N 3.45Å; Y593-E597 HydrophobicContact CD2-CG 3.91Å; Y593-E597 HydrophobicContact CE2-CG 3.51Å; Y593-E597 PolarHBondContact O-N 2.93Å; Y593-Y598 HydrophobicContact CE1-CE2 4.17Å
594I92.4Very high91.4Very high15 Ų1563.5 Ų63.58%0.07729%0.289CS..Hα-helixtrans-61.8-45.1179.6-67.6165.7000110.5I442 I536 F553 T590 S591 R596 Y598 M602I442-I594 HydrophobicContact CG2-CG2 4.35Å; I536-I594 HydrophobicContact CB-CG2 4.32Å; I536-I594 HydrophobicContact CG1-CG2 4.28Å; F553-I594 HydrophobicContact CD2-CG2 3.97Å; F553-I594 HydrophobicContact CE2-CB 3.9Å; F553-I594 HydrophobicContact CE2-CG2 3.49Å; F553-I594 VanDerWaalsContact CE2-CG2 3.49Å; F553-I594 HydrophobicContact CZ-CB 4.32Å; F553-I594 HydrophobicContact CZ-CG2 4.27Å; T590-I594 HydrophobicContact CG2-CD1 3.87Å; T590-I594 HydrophobicContact CG2-CG1 4.46Å; T590-I594 VanDerWaalsContact O-CG1 3.24Å; T590-I594 WeakPolarHBondContact O-CG1 3.24Å; T590-I594 PolarHBondContact O-N 3.31Å; S591-I594 PolarHBondContact O-N 2.92Å; I594-R596 PolarHBondContact O-N 3.5Å; I594-Y598 HydrophobicContact CG2-CD2 4.45Å; I594-Y598 WeakPolarHBondContact O-CA 3.39Å; I594-Y598 WeakPolarHBondContact O-CB 3.27Å; I594-Y598 PolarHBondContact O-N 3.41Å; I594-M602 HydrophobicContact CG2-CE 3.66Å
595E92.2Very high91.7Very high70 Ų7066.1 Ų66.133%0.32730%0.303SS..Hα-helixtrans-60.6-43.5178.1-168.5178.7167.800111.8F553 S591 Y593 N599 I605F553-E595 HydrophobicContact CD1-CG 4.49Å; F553-E595 HydrophobicContact CE1-CB 3.68Å; F553-E595 HydrophobicContact CE1-CG 3.97Å; F553-E595 HydrophobicContact CZ-CB 3.98Å; S591-E595 WeakPolarHBondContact O-CB 3.48Å; S591-E595 PolarHBondContact O-N 2.92Å; Y593-E595 VanDerWaalsContact C-N 3.35Å; Y593-E595 PolarHBondContact O-N 3.19Å; E595-N599 WeakPolarHBondContact O-CA 3.3Å; E595-N599 WeakPolarHBondContact O-CB 3.46Å; E595-N599 PolarHBondContact O-N 2.94Å; E595-I605 HydrophobicContact CG-CD1 4.48Å
596R88.5Confident91.9Very high206 Ų20660.9 Ų60.978%0.77728%0.284SS*.Hα-helixtrans-68.6-46.9-178.7179.7179.9173.6166.91.6113T592 Y593 I594T592-R596 VanDerWaalsContact O-CB 3.27Å; T592-R596 WeakPolarHBondContact O-CB 3.47Å; T592-R596 PolarHBondContact O-N 2.89Å; Y593-R596 PolarHBondContact O-N 3.45Å; I594-R596 PolarHBondContact O-N 3.5Å
597E84.9Confident92Very high94 Ų9458.6 Ų58.644%0.43928%0.278SS..Hα-helixtrans-84.5-31.8-172-64.3-60.112200112.5Y593 Y600Y593-E597 HydrophobicContact CD2-CG 3.91Å; Y593-E597 HydrophobicContact CE2-CG 3.51Å; Y593-E597 PolarHBondContact O-N 2.93Å; E597-Y600 WeakPolarHBondContact O-CD1 3.33Å; E597-Y600 VanDerWaalsContact O-CE1 3.28Å; E597-Y600 WeakPolarHBondContact O-CE1 3.36Å
598Y87.9Confident91.9Very high30 Ų3058 Ų5812%0.11828%0.275CS..Hα-helixtrans-118.113.5-171.7-56.6-87.3000114.3I536 Y593 I594 Y600 L601I536-Y598 HydrophobicContact CD1-CG 4.22Å; I536-Y598 HydrophobicContact CG1-CD1 3.68Å; I536-Y598 HydrophobicContact CG1-CD2 3.88Å; I536-Y598 HydrophobicContact CG1-CE1 4.31Å; I536-Y598 HydrophobicContact CG1-CE2 4.49Å; I536-Y598 HydrophobicContact CG1-CG 3.42Å; I536-Y598 VanDerWaalsContact CG1-CG 3.42Å; I536-Y598 HydrophobicContact CG2-CD2 4.09Å; I536-Y598 HydrophobicContact CG2-CE1 4.49Å; I536-Y598 HydrophobicContact CG2-CE2 3.99Å; I536-Y598 HydrophobicContact CG2-CG 4.4Å; Y593-Y598 HydrophobicContact CE1-CE2 4.17Å; I594-Y598 HydrophobicContact CG2-CD2 4.45Å; I594-Y598 WeakPolarHBondContact O-CA 3.39Å; I594-Y598 WeakPolarHBondContact O-CB 3.27Å; I594-Y598 PolarHBondContact O-N 3.41Å; Y598-Y600 HydrophobicContact CD1-CE1 4.37Å; Y598-Y600 PolarHBondContact O-N 2.96Å; Y598-L601 HydrophobicContact CD1-CD1 3.98Å; Y598-L601 PolarHBondContact O-N 3.01Å
599N87Confident91.8Very high60 Ų6059.3 Ų59.332%0.32128%0.282SS..G310 helixtrans-44.8-40.5175.8-166.6-90.8000112.5E595 L601 M602E595-N599 WeakPolarHBondContact O-CA 3.3Å; E595-N599 WeakPolarHBondContact O-CB 3.46Å; E595-N599 PolarHBondContact O-N 2.94Å; N599-L601 PolarHBondContact O-N 3.48Å; N599-L601 VanDerWaalsContact O-N 3.13Å; N599-M602 WeakPolarHBondContact O-CB 3.47Å; N599-M602 PolarHBondContact O-N 2.63Å
600Y85Confident91.6Very high49 Ų4957 Ų5719%0.19227%0.273CS..G310 helixtrans-63.6-18.1-175.975.6-89.1000114.6H315 V423 E597 Y598H315-Y600 PolarHBondContact CE1-O 2.98Å; H315-Y600 WeakPolarHBondContact ND1-CB 3.46Å; H315-Y600 PolarHBondContact ND1-O 3.46Å; V423-Y600 HydrophobicContact CG2-CE2 4.39Å; E597-Y600 WeakPolarHBondContact O-CD1 3.33Å; E597-Y600 VanDerWaalsContact O-CE1 3.28Å; E597-Y600 WeakPolarHBondContact O-CE1 3.36Å; Y598-Y600 HydrophobicContact CD1-CE1 4.37Å; Y598-Y600 PolarHBondContact O-N 2.96Å
601L87.7Confident91.3Very high11 Ų1157.3 Ų57.36%0.05827%0.273CS..G310 helixtrans-92.4-9.9176.6-65178000113.2I536 V539 V551 Y598 N599I536-L601 HydrophobicContact CD1-CB 4.46Å; I536-L601 HydrophobicContact CD1-CD1 4.19Å; V539-L601 HydrophobicContact CG1-CB 4.26Å; V539-L601 HydrophobicContact CG1-CD1 4.38Å; V551-L601 VanDerWaalsContact CB-O 3.25Å; V551-L601 WeakPolarHBondContact CB-O 3.43Å; V551-L601 WeakPolarHBondContact CG2-O 3.3Å; Y598-L601 HydrophobicContact CD1-CD1 3.98Å; Y598-L601 PolarHBondContact O-N 3.01Å; N599-L601 PolarHBondContact O-N 3.48Å; N599-L601 VanDerWaalsContact O-N 3.13Å
602M91Very high91.1Very high20 Ų2063.2 Ų63.210%0.09930%0.3CS..  trans-92.9135.6-171.9-55.9170.8-179.200110.7F553 I594 N599 I605F553-M602 HydrophobicContact CB-CB 4.44Å; F553-M602 HydrophobicContact CB-CE 3.84Å; F553-M602 HydrophobicContact CB-CG 3.88Å; F553-M602 HydrophobicContact CB-SD 3.37Å; F553-M602 WeakPolarHBondContact CB-SD 3.35Å; F553-M602 HydrophobicContact CD1-CE 3.95Å; F553-M602 HydrophobicContact CD1-SD 3.73Å; F553-M602 HydrophobicContact CD2-CE 3.51Å; F553-M602 HydrophobicContact CD2-SD 4.17Å; F553-M602 HydrophobicContact CE1-CE 4.42Å; F553-M602 HydrophobicContact CE2-CE 4.01Å; F553-M602 HydrophobicContact CG-CE 3.48Å; F553-M602 VanDerWaalsContact CG-CE 3.48Å; F553-M602 HydrophobicContact CG-SD 3.49Å; F553-M602 WeakPolarHBondContact CG-SD 3.32Å; F553-M602 HydrophobicContact CZ-CE 4.44Å; I594-M602 HydrophobicContact CG2-CE 3.66Å; N599-M602 WeakPolarHBondContact O-CB 3.47Å; N599-M602 PolarHBondContact O-N 2.63Å; M602-I605 HydrophobicContact CB-CG1 4.39Å; M602-I605 HydrophobicContact SD-CD1 4.09Å; M602-I605 HydrophobicContact SD-CG1 4.01Å
603D92.3Very high91Very high55 Ų5562.1 Ų62.129%0.29429%0.293SS..SBendtrans-94.7-30.1172.7-62.2-70.9000111.8R313 Y550 V551R313-D603 IonicContact NH1-OD1 2.69Å; R313-D603 PolarHBondContact NH1-OD1 2.85Å; Y550-D603 HydrophobicContact CD2-CB 3.76Å; Y550-D603 HydrophobicContact CE1-CB 4.4Å; Y550-D603 HydrophobicContact CE2-CB 3.43Å; Y550-D603 VanDerWaalsContact CE2-CB 3.43Å; Y550-D603 HydrophobicContact CG-CB 4.37Å; V551-D603 PolarHBondContact N-OD2 3.16Å; V551-D603 PolarHBondContact O-N 3.43Å
604L94.8Very high91.1Very high23 Ų2356.1 Ų56.112%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-142.5135.5-179.8-179.564.2000110.7Y550 V551 V552 F553 L606 L618 H621Y550-L604 HydrophobicContact CE1-CB 4.22Å; V551-L604 PolarHBondContact O-N 3.42Å; V551-L604 VanDerWaalsContact O-N 3.16Å; V552-L604 CarbonylContact C-O 3.25Å; V552-L604 WeakPolarHBondContact CA-O 3.47Å; V552-L604 HydrophobicContact CG1-CD2 4.27Å; V552-L604 HydrophobicContact CG1-CG 4.49Å; V552-L604 HydrophobicContact CG2-CB 4.39Å; V552-L604 HydrophobicContact CG2-CD2 4.43Å; F553-L604 PolarHBondContact N-O 2.92Å; L604-L606 HydrophobicContact CD1-CD2 4.15Å; L604-L606 HydrophobicContact CD2-CD1 4.03Å; L604-L606 HydrophobicContact CD2-CD2 4.16Å; L604-L606 HydrophobicContact CD2-CG 4.03Å; L604-L606 HydrophobicContact CG-CD2 4.13Å; L604-L606 HydrophobicContact CG-CG 4.02Å; L604-L618 HydrophobicContact CD2-CD1 4.19Å; L604-H621 HydrophobicContact CD2-CB 3.82Å
605I95.3Very high91.2Very high67 Ų6757.2 Ų57.234%0.34427%0.274SS..EExtended strand (participates in β ladder)trans-115.6124.4173.1-61.5172.8000108.2F553 A555 E595 M602F553-I605 HydrophobicContact CB-CG1 4.26Å; F553-I605 HydrophobicContact CD1-CG1 4.16Å; F553-I605 HydrophobicContact CD1-CG2 3.9Å; F553-I605 WeakPolarHBondContact O-CA 3.28Å; A555-I605 HydrophobicContact CB-CG2 4.27Å; E595-I605 HydrophobicContact CG-CD1 4.48Å; M602-I605 HydrophobicContact CB-CG1 4.39Å; M602-I605 HydrophobicContact SD-CD1 4.09Å; M602-I605 HydrophobicContact SD-CG1 4.01Å
606L96.6Very high91.4Very high9 Ų960.3 Ų60.35%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-121.9130.1176.6-62.8177.4000110.1V552 F553 L554 A555 L604 C608 T614 Q617 L618V552-L606 HydrophobicContact CG1-CD1 4.18Å; F553-L606 PolarHBondContact O-N 3.25Å; L554-L606 CarbonylContact C-O 3.57Å; L554-L606 WeakPolarHBondContact CA-O 3.22Å; L554-L606 HydrophobicContact CD2-CB 4.23Å; A555-L606 PolarHBondContact N-O 3.12Å; L604-L606 HydrophobicContact CD1-CD2 4.15Å; L604-L606 HydrophobicContact CD2-CD1 4.03Å; L604-L606 HydrophobicContact CD2-CD2 4.16Å; L604-L606 HydrophobicContact CD2-CG 4.03Å; L604-L606 HydrophobicContact CG-CD2 4.13Å; L604-L606 HydrophobicContact CG-CG 4.02Å; L606-C608 PolarHBondContact O-N 3.22Å; L606-T614 HydrophobicContact CB-CG2 4.28Å; L606-T614 HydrophobicContact CD1-CG2 4.2Å; L606-Q617 HydrophobicContact CD2-CB 4.4Å; L606-L618 HydrophobicContact CD1-CB 3.79Å; L606-L618 HydrophobicContact CD1-CD1 4.2Å; L606-L618 HydrophobicContact CD1-CG 4.47Å
607L95.1Very high91.8Very high90 Ų9055 Ų5547%0.47127%0.272SS..EExtended strand (participates in β ladder)trans-77.8116171.8-17868.2000109.3A555 P557 D609A555-L607 HydrophobicContact CB-CD1 4.37Å; P557-L607 HydrophobicContact CB-CD1 4.23Å; L607-D609 VanDerWaalsContact C-N 3.34Å; L607-D609 HydrophobicContact CG-CB 4.44Å; L607-D609 PolarHBondContact O-N 2.91Å; L607-D609 VanDerWaalsContact O-N 3.12Å
608C91.6Very high92.4Very high6 Ų650.5 Ų50.54%0.04125%0.251CS..  trans-89.866.2-176.7-171.50000111.9V447 A555 P557 L606V447-C608 PolarHBondContact O-SG 3.2Å; A555-C608 PolarHBondContact O-N 3.11Å; P557-C608 WeakPolarHBondContact CD-O 3.43Å; P557-C608 VanDerWaalsContact CG-O 3.31Å; P557-C608 WeakPolarHBondContact CG-O 3.38Å; L606-C608 PolarHBondContact O-N 3.22Å
609D91.2Very high92.7Very high79 Ų7951.4 Ų51.442%0.42226%0.258SS..SBendtrans-87.4-20.6176.767.3-8.5000113.9P557 M565 L607P557-D609 HydrophobicContact CB-CB 4.06Å; M565-D609 WeakPolarHBondContact CE-O 3.41Å; L607-D609 VanDerWaalsContact C-N 3.34Å; L607-D609 HydrophobicContact CG-CB 4.44Å; L607-D609 PolarHBondContact O-N 2.91Å; L607-D609 VanDerWaalsContact O-N 3.12Å
610N90.7Very high93.2Very high66 Ų6655.3 Ų55.335%0.35327%0.27SS..  trans-147.6129.7168.6175.2-34.2000109.2E612 T613 T614N610-E612 PolarHBondContact O-N 3.45Å; N610-E612 WeakPolarHBondContact OD1-CB 3.31Å; N610-E612 PolarHBondContact OD1-N 2.93Å; N610-T613 HydrophobicContact CB-CG2 4.31Å; N610-T613 WeakPolarHBondContact CB-OG1 3.49Å; N610-T613 PolarHBondContact O-OG1 3.49Å; N610-T613 PolarHBondContact OD1-N 3.47Å; N610-T614 VanDerWaalsContact O-CB 3.27Å; N610-T614 WeakPolarHBondContact O-CB 3.38Å; N610-T614 PolarHBondContact O-N 2.88Å; N610-T614 PolarHBondContact O-OG1 3.07Å
611I88.6Confident93.6Very high51 Ų5156.1 Ų56.126%0.26228%0.275SS..Hα-helixtrans-68.5-32.8-173.8-166.7167.9000113.5M455 F615M455-I611 HydrophobicContact SD-CD1 3.88Å; M455-I611 HydrophobicContact SD-CG1 3.84Å; I611-F615 VanDerWaalsContact O-CB 3.28Å; I611-F615 WeakPolarHBondContact O-CB 3.48Å; I611-F615 PolarHBondContact O-N 3.37Å
612E91.1Very high94Very high126 Ų12655.6 Ų55.659%0.58927%0.272SS*.Hα-helixtrans-72.9-45.9-179.4-64174.6171.500110.8N610 T614 F615 E616N610-E612 PolarHBondContact O-N 3.45Å; N610-E612 WeakPolarHBondContact OD1-CB 3.31Å; N610-E612 PolarHBondContact OD1-N 2.93Å; E612-T614 VanDerWaalsContact C-N 3.34Å; E612-T614 PolarHBondContact O-N 3.45Å; E612-F615 WeakPolarHBondContact O-CB 3.39Å; E612-F615 PolarHBondContact O-N 3.3Å; E612-E616 WeakPolarHBondContact O-CG 3.38Å; E612-E616 PolarHBondContact O-N 3.49Å
613T94.1Very high94Very high51 Ų5157.6 Ų57.631%0.31328%0.283SS..Hα-helixtrans-65.1-40.3175.857.60000111.2N610 F615 E616 Q617N610-T613 HydrophobicContact CB-CG2 4.31Å; N610-T613 WeakPolarHBondContact CB-OG1 3.49Å; N610-T613 PolarHBondContact O-OG1 3.49Å; N610-T613 PolarHBondContact OD1-N 3.47Å; T613-F615 VanDerWaalsContact C-N 3.29Å; T613-F615 PolarHBondContact O-N 3.2Å; T613-E616 PolarHBondContact O-N 3.43Å; T613-Q617 WeakPolarHBondContact O-CB 3.48Å; T613-Q617 VanDerWaalsContact O-CG 3.3Å; T613-Q617 WeakPolarHBondContact O-CG 3.46Å; T613-Q617 PolarHBondContact O-N 3.22Å
614T94.6Very high94.1Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-62.3-39.1174.8-56.20000110.9L452 L554 L606 N610 E612 L618L452-T614 HydrophobicContact CD2-CG2 4.07Å; L554-T614 HydrophobicContact CD2-CG2 4.14Å; L606-T614 HydrophobicContact CB-CG2 4.28Å; L606-T614 HydrophobicContact CD1-CG2 4.2Å; N610-T614 VanDerWaalsContact O-CB 3.27Å; N610-T614 WeakPolarHBondContact O-CB 3.38Å; N610-T614 PolarHBondContact O-N 2.88Å; N610-T614 PolarHBondContact O-OG1 3.07Å; E612-T614 VanDerWaalsContact C-N 3.34Å; E612-T614 PolarHBondContact O-N 3.45Å; T614-L618 VanDerWaalsContact O-CB 3.23Å; T614-L618 WeakPolarHBondContact O-CB 3.34Å; T614-L618 PolarHBondContact O-N 2.97Å
615F96Very high93.8Very high38 Ų3855.9 Ų55.917%0.16727%0.274CS..Hα-helixtrans-62.9-46.5174.7168.3-95.9000112.6L452 M455 L456 A459 I611 E612 T613 L618 N619L452-F615 HydrophobicContact CD1-CB 3.7Å; L452-F615 HydrophobicContact CD1-CD2 4.27Å; M455-F615 HydrophobicContact CB-CD2 3.67Å; M455-F615 HydrophobicContact CB-CE2 3.86Å; M455-F615 HydrophobicContact CB-CG 4.45Å; M455-F615 HydrophobicContact CE-CB 3.64Å; M455-F615 HydrophobicContact CE-CD1 4.21Å; M455-F615 HydrophobicContact CE-CD2 4.08Å; M455-F615 HydrophobicContact CE-CG 3.7Å; L456-F615 HydrophobicContact CD2-CD2 4.15Å; L456-F615 HydrophobicContact CD2-CE2 3.83Å; L456-F615 HydrophobicContact CG-CD2 4.28Å; L456-F615 HydrophobicContact CG-CE2 4.14Å; A459-F615 HydrophobicContact CB-CE2 4.22Å; A459-F615 HydrophobicContact CB-CZ 3.74Å; I611-F615 VanDerWaalsContact O-CB 3.28Å; I611-F615 WeakPolarHBondContact O-CB 3.48Å; I611-F615 PolarHBondContact O-N 3.37Å; E612-F615 WeakPolarHBondContact O-CB 3.39Å; E612-F615 PolarHBondContact O-N 3.3Å; T613-F615 VanDerWaalsContact C-N 3.29Å; T613-F615 PolarHBondContact O-N 3.2Å; F615-L618 PolarHBondContact O-N 2.81Å; F615-N619 VanDerWaalsContact O-CB 3.24Å; F615-N619 WeakPolarHBondContact O-CB 3.48Å; F615-N619 PolarHBondContact O-N 3.25Å
616E96.5Very high93.3Very high135 Ų13555.9 Ų55.963%0.63127%0.274SS*.Hα-helixtrans-62.1-46.2177.5-71.1177.8175.900111.7E612 T613 N619 Y620E612-E616 WeakPolarHBondContact O-CG 3.38Å; E612-E616 PolarHBondContact O-N 3.49Å; T613-E616 PolarHBondContact O-N 3.43Å; E616-N619 PolarHBondContact O-N 2.73Å; E616-Y620 WeakPolarHBondContact O-CB 3.35Å; E616-Y620 PolarHBondContact O-N 3.24Å
617Q96.8Very high92.6Very high94 Ų9460.6 Ų60.644%0.43930%0.304SS..Hα-helixtrans-60.1-48.8176.3-72.8176.21.900111.5L606 T613 N619 Y620 H621L606-Q617 HydrophobicContact CD2-CB 4.4Å; T613-Q617 WeakPolarHBondContact O-CB 3.48Å; T613-Q617 VanDerWaalsContact O-CG 3.3Å; T613-Q617 WeakPolarHBondContact O-CG 3.46Å; T613-Q617 PolarHBondContact O-N 3.22Å; Q617-N619 PolarHBondContact O-N 2.79Å; Q617-Y620 WeakPolarHBondContact O-CB 3.28Å; Q617-Y620 PolarHBondContact O-N 2.99Å; Q617-H621 PolarHBondContact O-CD2 2.93Å; Q617-H621 PolarHBondContact O-N 3.22Å
618L96.5Very high92.2Very high0 Ų061 Ų610%030%0.304CS..Hα-helixtrans-62.3-46.417918054.1000111.1L441 L452 L456 V552 L604 L606 T614 F615 Y620 H621 L622L441-L618 HydrophobicContact CD2-CD2 3.93Å; L452-L618 HydrophobicContact CD1-CD2 4.48Å; L452-L618 HydrophobicContact CD2-CD2 3.46Å; L452-L618 VanDerWaalsContact CD2-CD2 3.46Å; L452-L618 HydrophobicContact CG-CD2 3.88Å; L456-L618 HydrophobicContact CD1-CD2 3.72Å; L456-L618 HydrophobicContact CD1-CG 4.32Å; V552-L618 HydrophobicContact CB-CD1 4.48Å; V552-L618 HydrophobicContact CG1-CD1 3.93Å; V552-L618 HydrophobicContact CG2-CD1 3.88Å; L604-L618 HydrophobicContact CD2-CD1 4.19Å; L606-L618 HydrophobicContact CD1-CB 3.79Å; L606-L618 HydrophobicContact CD1-CD1 4.2Å; L606-L618 HydrophobicContact CD1-CG 4.47Å; T614-L618 VanDerWaalsContact O-CB 3.23Å; T614-L618 WeakPolarHBondContact O-CB 3.34Å; T614-L618 PolarHBondContact O-N 2.97Å; F615-L618 PolarHBondContact O-N 2.81Å; L618-Y620 VanDerWaalsContact C-N 3.29Å; L618-Y620 PolarHBondContact O-N 3.29Å; L618-H621 PolarHBondContact O-N 3.35Å; L618-L622 HydrophobicContact CD1-CD1 3.96Å; L618-L622 HydrophobicContact CD1-CD2 4.15Å; L618-L622 HydrophobicContact CD1-CG 3.79Å; L618-L622 HydrophobicContact CG-CD1 3.94Å; L618-L622 HydrophobicContact CG-CG 4.2Å; L618-L622 WeakPolarHBondContact O-CB 3.28Å; L618-L622 VanDerWaalsContact O-CG 3.26Å; L618-L622 WeakPolarHBondContact O-CG 3.5Å; L618-L622 PolarHBondContact O-N 2.95Å
619N95.2Very high91.8Very high49 Ų4964.8 Ų64.826%0.26233%0.328SS..Hα-helixtrans-61.2-39.6178.8-169.445.2000111.7L456 F615 E616 Q617 L622 N623L456-N619 HydrophobicContact CD2-CB 4.44Å; F615-N619 VanDerWaalsContact O-CB 3.24Å; F615-N619 WeakPolarHBondContact O-CB 3.48Å; F615-N619 PolarHBondContact O-N 3.25Å; E616-N619 PolarHBondContact O-N 2.73Å; Q617-N619 PolarHBondContact O-N 2.79Å; N619-L622 PolarHBondContact O-N 3.31Å; N619-N623 WeakPolarHBondContact O-CB 3.19Å; N619-N623 PolarHBondContact O-N 3.35Å; N619-N623 PolarHBondContact O-ND2 2.8Å
620Y95.9Very high91.5Very high143 Ų14361.7 Ų61.756%0.56131%0.311SS*.Hα-helixtrans-58.5-52.9172.9176-98.8000111.6E616 Q617 L618 L622 N623 N624E616-Y620 WeakPolarHBondContact O-CB 3.35Å; E616-Y620 PolarHBondContact O-N 3.24Å; Q617-Y620 WeakPolarHBondContact O-CB 3.28Å; Q617-Y620 PolarHBondContact O-N 2.99Å; L618-Y620 VanDerWaalsContact C-N 3.29Å; L618-Y620 PolarHBondContact O-N 3.29Å; Y620-L622 PolarHBondContact O-N 3.5Å; Y620-N623 PolarHBondContact O-N 3.38Å; Y620-N624 WeakPolarHBondContact CE1-ND2 3.5Å; Y620-N624 PolarHBondContact O-N 3.27Å; Y620-N624 PolarHBondContact O-OD1 2.88Å; Y620-N624 PolarHBondContact OH-ND2 2.95Å
621H95.1Very high91.4Very high65 Ų6560.8 Ų60.830%0.30130%0.302SS..Hα-helixtrans-59.4-44.4178.1-76.8-67.1000112.6L604 Q617 L618 N623 N624 L625L604-H621 HydrophobicContact CD2-CB 3.82Å; Q617-H621 PolarHBondContact O-CD2 2.93Å; Q617-H621 PolarHBondContact O-N 3.22Å; L618-H621 PolarHBondContact O-N 3.35Å; H621-N623 VanDerWaalsContact C-N 3.27Å; H621-N623 PolarHBondContact O-N 2.93Å; H621-N624 WeakPolarHBondContact O-CB 3.38Å; H621-N624 PolarHBondContact O-N 3.41Å; H621-N624 VanDerWaalsContact O-N 3.17Å; H621-L625 WeakPolarHBondContact O-CG 3.44Å; H621-L625 PolarHBondContact O-N 3.15Å; H621-L625 VanDerWaalsContact O-N 3.14Å
622L94.8Very high91.4Very high0 Ų058.3 Ų58.30%029%0.29CS..Hα-helixtrans-66.3-28.2179.2-65.8-178.1000113.1I439 L456 R463 Y464 Y550 L618 N619 Y620 L625I439-L622 HydrophobicContact CD1-CD1 3.76Å; I439-L622 HydrophobicContact CD1-CD2 3.49Å; I439-L622 VanDerWaalsContact CD1-CD2 3.49Å; I439-L622 HydrophobicContact CD1-CG 4.18Å; I439-L622 HydrophobicContact CG1-CD2 4.2Å; I439-L622 HydrophobicContact CG2-CD2 4.46Å; L456-L622 HydrophobicContact CD1-CD1 4.17Å; L456-L622 HydrophobicContact CD2-CD1 4.21Å; R463-L622 PolarHBondContact NH2-O 2.86Å; Y464-L622 HydrophobicContact CE1-CD1 4.5Å; Y464-L622 WeakPolarHBondContact OH-CB 3.41Å; Y464-L622 WeakPolarHBondContact OH-CD1 3.49Å; Y550-L622 HydrophobicContact CD1-CD2 4.08Å; Y550-L622 HydrophobicContact CE1-CD2 4.19Å; L618-L622 HydrophobicContact CD1-CD1 3.96Å; L618-L622 HydrophobicContact CD1-CD2 4.15Å; L618-L622 HydrophobicContact CD1-CG 3.79Å; L618-L622 HydrophobicContact CG-CD1 3.94Å; L618-L622 HydrophobicContact CG-CG 4.2Å; L618-L622 WeakPolarHBondContact O-CB 3.28Å; L618-L622 VanDerWaalsContact O-CG 3.26Å; L618-L622 WeakPolarHBondContact O-CG 3.5Å; L618-L622 PolarHBondContact O-N 2.95Å; N619-L622 PolarHBondContact O-N 3.31Å; Y620-L622 PolarHBondContact O-N 3.5Å; L622-L625 HydrophobicContact CD2-CD1 3.81Å
623N92.5Very high91.4Very high63 Ų6352.5 Ų52.534%0.33726%0.263SS..Hα-helixtrans-73.6-40172.2-71.7-32.4000111.4R463 N619 Y620 H621 L625 L626R463-N623 PolarHBondContact NH1-OD1 2.91Å; N619-N623 WeakPolarHBondContact O-CB 3.19Å; N619-N623 PolarHBondContact O-N 3.35Å; N619-N623 PolarHBondContact O-ND2 2.8Å; Y620-N623 PolarHBondContact O-N 3.38Å; H621-N623 VanDerWaalsContact C-N 3.27Å; H621-N623 PolarHBondContact O-N 2.93Å; N623-L625 PolarHBondContact O-N 2.94Å; N623-L626 VanDerWaalsContact O-CB 3.3Å; N623-L626 WeakPolarHBondContact O-CB 3.44Å; N623-L626 PolarHBondContact O-N 3.09Å
624N92.8Very high91Very high26 Ų2650.2 Ų50.214%0.13925%0.249CC..Hα-helixtrans-60.6-32.7176-74.411.4000112.5Y620 H621 L626 T627 E628Y620-N624 WeakPolarHBondContact CE1-ND2 3.5Å; Y620-N624 PolarHBondContact O-N 3.27Å; Y620-N624 PolarHBondContact O-OD1 2.88Å; Y620-N624 PolarHBondContact OH-ND2 2.95Å; H621-N624 WeakPolarHBondContact O-CB 3.38Å; H621-N624 PolarHBondContact O-N 3.41Å; H621-N624 VanDerWaalsContact O-N 3.17Å; N624-L626 PolarHBondContact O-N 3.45Å; N624-L626 VanDerWaalsContact O-N 3.08Å; N624-T627 PolarHBondContact O-N 3.04Å; N624-T627 PolarHBondContact O-OG1 2.67Å; N624-E628 HydrophobicContact CB-CG 4.23Å; N624-E628 PolarHBondContact ND2-OE1 2.95Å; N624-E628 WeakPolarHBondContact O-CB 3.48Å; N624-E628 PolarHBondContact O-N 3.08Å
625L90.1Very high90.5Very high15 Ų1555.8 Ų55.88%0.07927%0.273CS..THydrogen-bonded Turntrans-55-29.3174.5-62.6-178.5000113G433 F434 R436 Y550 H621 L622 N623 T627 Q630G433-L625 CarbonylContact C-O 3.6Å; G433-L625 VanDerWaalsContact CA-O 3.3Å; G433-L625 WeakPolarHBondContact CA-O 3.24Å; F434-L625 PolarHBondContact N-O 3.48Å; F434-L625 VanDerWaalsContact O-O 3.06Å; R436-L625 HydrophobicContact CG-CD1 4.15Å; Y550-L625 HydrophobicContact CD1-CD1 3.83Å; Y550-L625 HydrophobicContact CD2-CD1 3.91Å; Y550-L625 HydrophobicContact CD2-CD2 4.18Å; Y550-L625 HydrophobicContact CE1-CD1 3.89Å; Y550-L625 HydrophobicContact CE2-CD1 3.97Å; Y550-L625 HydrophobicContact CE2-CD2 3.6Å; Y550-L625 HydrophobicContact CE2-CG 4.43Å; Y550-L625 HydrophobicContact CG-CD1 3.84Å; H621-L625 WeakPolarHBondContact O-CG 3.44Å; H621-L625 PolarHBondContact O-N 3.15Å; H621-L625 VanDerWaalsContact O-N 3.14Å; L622-L625 HydrophobicContact CD2-CD1 3.81Å; N623-L625 PolarHBondContact O-N 2.94Å; L625-T627 VanDerWaalsContact C-N 3.32Å; L625-T627 PolarHBondContact O-N 3.13Å; L625-Q630 HydrophobicContact CD2-CG 4.09Å; L625-Q630 PolarHBondContact O-NE2 3.33Å
626L84.2Confident90.1Very high67 Ų6754.9 Ų54.935%0.35127%0.269SS..THydrogen-bonded Turntrans-70.4-28.1180-59177.5000113G433 Q435 N623 N624G433-L626 CarbonylContact C-O 3.51Å; G433-L626 VanDerWaalsContact C-O 3.25Å; Q435-L626 HydrophobicContact CB-CD2 3.6Å; Q435-L626 HydrophobicContact CG-CD2 4.25Å; N623-L626 VanDerWaalsContact O-CB 3.3Å; N623-L626 WeakPolarHBondContact O-CB 3.44Å; N623-L626 PolarHBondContact O-N 3.09Å; N624-L626 PolarHBondContact O-N 3.45Å; N624-L626 VanDerWaalsContact O-N 3.08Å
627T81.3Confident89Confident109 Ų10952.6 Ų52.667%0.66926%0.26SS*.THydrogen-bonded Turntrans-115.4-36.5-171.9530000113.1N624 L625N624-T627 PolarHBondContact O-N 3.04Å; N624-T627 PolarHBondContact O-OG1 2.67Å; L625-T627 VanDerWaalsContact C-N 3.32Å; L625-T627 PolarHBondContact O-N 3.13Å
628E86Confident87.3Confident99 Ų9958.6 Ų58.646%0.46328%0.281SS..SBendtrans-81.4140.5-175.7-65.3-176.7169.300111.7G433 N624G433-E628 WeakPolarHBondContact CA-O 3.45Å; G433-E628 PolarHBondContact N-O 2.93Å; N624-E628 HydrophobicContact CB-CG 4.23Å; N624-E628 PolarHBondContact ND2-OE1 2.95Å; N624-E628 WeakPolarHBondContact O-CB 3.48Å; N624-E628 PolarHBondContact O-N 3.08Å
629P83.5Confident86.9Confident85 Ų8561.5 Ų61.555%0.55230%0.295SS*.  trans-57.8138.4172-22.533000112M430 V431M430-P629 HydrophobicContact CG-CB 3.89Å; M430-P629 HydrophobicContact SD-CB 4.01Å; V431-P629 CarbonylContact O-C 3.59Å; V431-P629 VanDerWaalsContact O-CA 3.22Å; V431-P629 WeakPolarHBondContact O-CA 3.29Å
630Q85.9Confident86.4Confident13 Ų1362.2 Ų62.26%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-119.1140.1-177.7-64.5178.25600111.2V431 F434 L625V431-Q630 PolarHBondContact N-O 3Å; V431-Q630 PolarHBondContact O-N 3.14Å; F434-Q630 PolarHBondContact O-NE2 2.92Å; L625-Q630 HydrophobicContact CD2-CG 4.09Å; L625-Q630 PolarHBondContact O-NE2 3.33Å
631W88.9Confident85.9Confident47 Ų4757.7 Ų57.718%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-83120.9168.1-70102.2000110.1F311 R313 I340 H357 V428 M430F311-W631 HydrophobicContact CB-CH2 4.09Å; F311-W631 HydrophobicContact CB-CZ3 3.77Å; F311-W631 AromaticContact CD1-CH2 3.81Å; F311-W631 HydrophobicContact CD1-CH2 3.81Å; F311-W631 HydrophobicContact CD1-CZ3 4.38Å; F311-W631 HydrophobicContact CD2-CH2 4.28Å; F311-W631 HydrophobicContact CD2-CZ3 4.37Å; F311-W631 HydrophobicContact CE1-CH2 4.3Å; F311-W631 AromaticContact CG-CH2 3.8Å; F311-W631 HydrophobicContact CG-CH2 3.8Å; F311-W631 AromaticContact CG-CZ3 3.93Å; F311-W631 HydrophobicContact CG-CZ3 3.93Å; R313-W631 PolarHBondContact NH2-O 2.88Å; I340-W631 HydrophobicContact CD1-CG 4.24Å; I340-W631 HydrophobicContact CG1-CD2 4.29Å; I340-W631 HydrophobicContact CG1-CG 4.2Å; I340-W631 HydrophobicContact CG2-CD2 4.21Å; I340-W631 HydrophobicContact CG2-CE3 4.36Å; I340-W631 HydrophobicContact CG2-CH2 4.02Å; I340-W631 HydrophobicContact CG2-CZ2 3.88Å; I340-W631 HydrophobicContact CG2-CZ3 4.26Å; H357-W631 AromaticContact CD2-CZ2 3.63Å; H357-W631 AromaticContact CE1-CZ2 3.63Å; H357-W631 AromaticContact CG-CZ2 3.8Å; H357-W631 AromaticContact ND1-CZ2 3.78Å; H357-W631 AromaticContact NE2-CZ2 3.51Å; V428-W631 HydrophobicContact CB-CE3 3.9Å; V428-W631 HydrophobicContact CG2-CD2 4.29Å; V428-W631 HydrophobicContact CG2-CE3 3.52Å; V428-W631 HydrophobicContact CG2-CZ3 3.94Å; M430-W631 HydrophobicContact CB-CD2 4.28Å; M430-W631 HydrophobicContact CB-CE3 3.99Å; M430-W631 HydrophobicContact CB-CH2 3.83Å; M430-W631 HydrophobicContact CB-CZ2 4.07Å; M430-W631 HydrophobicContact CB-CZ3 3.78Å; M430-W631 HydrophobicContact CG-CZ2 4.41Å; M430-W631 HydrophobicContact SD-CZ2 4.1Å
632V88.5Confident85.4Confident0 Ų057.2 Ų57.20%028%0.281CS..EExtended strand (participates in β ladder)trans-116.4150.8172.2-69.60000110.7V428 A429 V431 F434 M548 A634 W636 L637V428-V632 CarbonylContact C-O 3.56Å; V428-V632 WeakPolarHBondContact CA-O 3.25Å; V428-V632 WeakPolarHBondContact CB-O 3.49Å; A429-V632 PolarHBondContact N-O 3.4Å; A429-V632 WeakPolarHBondContact O-CG2 3.43Å; A429-V632 PolarHBondContact O-N 3.36Å; V431-V632 HydrophobicContact CB-CG2 4.48Å; V431-V632 HydrophobicContact CG2-CG2 3.5Å; F434-V632 HydrophobicContact CE1-CG1 4.39Å; F434-V632 HydrophobicContact CZ-CG1 4.41Å; M548-V632 HydrophobicContact CE-CG1 4.07Å; V632-A634 PolarHBondContact O-N 3.14Å; V632-W636 HydrophobicContact CB-CE3 3.82Å; V632-W636 HydrophobicContact CB-CZ3 4.29Å; V632-W636 HydrophobicContact CG1-CE3 3.93Å; V632-W636 HydrophobicContact CG1-CZ3 4.12Å; V632-L637 HydrophobicContact CG2-CD1 4.06Å; V632-L637 HydrophobicContact CG2-CG 4.11Å; V632-L637 HydrophobicContact CG2-CD2 4.2Å
633P89.7Confident84.8Confident4 Ų460.8 Ų60.83%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-47.6125.3162.2-26.434.1000110.6E426 E427 K635 W636E426-P633 VanDerWaalsContact CD-CG 3.46Å; E426-P633 HydrophobicContact CG-CB 4.28Å; E426-P633 VanDerWaalsContact OE1-CB 3.31Å; E426-P633 WeakPolarHBondContact OE1-CB 3.47Å; E426-P633 WeakPolarHBondContact OE1-CG 3.48Å; E427-P633 CarbonylContact O-C 3.57Å; E427-P633 WeakPolarHBondContact O-CA 3.39Å; P633-K635 HydrophobicContact CB-CG 3.83Å; P633-K635 PolarHBondContact O-N 3.4Å; P633-W636 HydrophobicContact CG-CE3 4.07Å; P633-W636 PolarHBondContact O-N 3.09Å; P633-W636 WeakPolarHBondContact O-CB 3.13Å; P633-W636 HydrophobicContact CG-CZ3 4.1Å; P633-W636 HydrophobicContact CG-CZ2 3.61Å; P633-W636 HydrophobicContact CG-CH2 3.89Å; P633-W636 HydrophobicContact CG-CG 4.38Å; P633-W636 HydrophobicContact CG-CD2 3.76Å; P633-W636 VanDerWaalsContact CD-CZ3 3.46Å; P633-W636 VanDerWaalsContact CD-CE3 3.46Å; P633-W636 HydrophobicContact CB-CZ2 4.47Å; P633-W636 HydrophobicContact CB-CG 4.01Å; P633-W636 HydrophobicContact CB-CD2 3.92Å
634A85.7Confident84.3Confident2 Ų260.7 Ų60.72%0.01730%0.295CS..G310 helixtrans-61.5-32.8-176.200000111.4E427 A429 V632 W636 L637 Y638E427-A634 HydrophobicContact CB-CB 4.27Å; E427-A634 HydrophobicContact CG-CB 3.71Å; E427-A634 PolarHBondContact O-N 3.44Å; A429-A634 HydrophobicContact CB-CB 4.26Å; V632-A634 PolarHBondContact O-N 3.14Å; A634-W636 PolarHBondContact O-N 2.9Å; A634-L637 PolarHBondContact O-N 3.28Å; A634-Y638 HydrophobicContact CB-CE2 4.01Å; A634-Y638 WeakPolarHBondContact O-CD2 3.44Å
635K85.3Confident83.7Confident117 Ų11763.1 Ų63.151%0.50931%0.307SS..G310 helixtrans-58-9.9171.466.9173.1-179.2177.50115.3P633P633-K635 HydrophobicContact CB-CG 3.83Å; P633-K635 PolarHBondContact O-N 3.4Å
636W86.9Confident83.2Confident19 Ų1966.8 Ų66.87%0.07232%0.324CS..G310 helixtrans-85.8-16.8173.7-64.8-9.6000112.8R436 R543 S545 M548 V632 P633 A634R436-W636 VanDerWaalsContact NH1-CZ3 3.35Å; R543-W636 HydrophobicContact CB-CZ2 4.48Å; R543-W636 HydrophobicContact CG-CZ2 3.59Å; R543-W636 PolarHBondContact O-NE1 3.06Å; S545-W636 WeakPolarHBondContact CB-O 3.41Å; M548-W636 HydrophobicContact CB-CD2 4.49Å; M548-W636 HydrophobicContact CB-CE3 3.91Å; M548-W636 HydrophobicContact CB-CZ3 4.12Å; M548-W636 HydrophobicContact CE-CB 4Å; M548-W636 HydrophobicContact CE-CD2 4.48Å; M548-W636 HydrophobicContact CE-CE3 3.76Å; M548-W636 HydrophobicContact CG-CB 4.35Å; M548-W636 HydrophobicContact CG-CD2 4.19Å; M548-W636 HydrophobicContact CG-CE3 3.93Å; M548-W636 HydrophobicContact CG-CG 4.42Å; V632-W636 HydrophobicContact CB-CE3 3.82Å; V632-W636 HydrophobicContact CB-CZ3 4.29Å; V632-W636 HydrophobicContact CG1-CE3 3.93Å; V632-W636 HydrophobicContact CG1-CZ3 4.12Å; P633-W636 HydrophobicContact CG-CE3 4.07Å; P633-W636 PolarHBondContact O-N 3.09Å; P633-W636 WeakPolarHBondContact O-CB 3.13Å; P633-W636 HydrophobicContact CG-CZ3 4.1Å; P633-W636 HydrophobicContact CG-CZ2 3.61Å; P633-W636 HydrophobicContact CG-CH2 3.89Å; P633-W636 HydrophobicContact CG-CG 4.38Å; P633-W636 HydrophobicContact CG-CD2 3.76Å; P633-W636 VanDerWaalsContact CD-CZ3 3.46Å; P633-W636 VanDerWaalsContact CD-CE3 3.46Å; P633-W636 HydrophobicContact CB-CZ2 4.47Å; P633-W636 HydrophobicContact CB-CG 4.01Å; P633-W636 HydrophobicContact CB-CD2 3.92Å; A634-W636 PolarHBondContact O-N 2.9Å
637L73.1Confident83.1Confident87 Ų8766.8 Ų66.846%0.45532%0.322SS..THydrogen-bonded Turntrans-99.9-19.6-176.9-56.5-179.2000113.3A429 V431 V632 A634A429-L637 HydrophobicContact CB-CD1 3.55Å; V431-L637 HydrophobicContact CG2-CD1 3.71Å; V431-L637 HydrophobicContact CG2-CD2 4Å; V431-L637 HydrophobicContact CG2-CG 4.44Å; V632-L637 HydrophobicContact CG2-CD1 4.06Å; V632-L637 HydrophobicContact CG2-CG 4.11Å; V632-L637 HydrophobicContact CG2-CD2 4.2Å; A634-L637 PolarHBondContact O-N 3.28Å
638Y62.1Low83.2Confident220 Ų22063 Ų6386%0.86329%0.29SS*.  trans-100.60173.6-52-66.6000109.6A634A634-Y638 HydrophobicContact CB-CE2 4.01Å; A634-Y638 WeakPolarHBondContact O-CD2 3.44Å

Retrieved 638 of 638 residues in 860.2 ms (Link to these results)

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