A0A087XJQ2_POEFO Loading...

Isocitrate dehydrogenase [NADP]

AlphaFold DB , UniProt , Accession A0A087XJQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low58.9Low236 Ų236141.2 Ų141.2100%1.16372%0.716SS**  084.40-160.9172.617800105.7I3M1-I3 PolarHBondContact O-N 3.28Å
2E40.7Very low62.1Low191 Ų191132.5 Ų132.589%0.89367%0.672SS**  trans-73111.4177.3-84.6176.115200107.8L4E2-L4 PolarHBondContact O-N 2.96Å; E2-L4 VanDerWaalsContact O-N 3.12Å
3I44.3Very low64.9Low136 Ų136130.8 Ų130.870%0.69766%0.657SS**  trans-74.4100.1170-62.1172.7000105.5M1 F5M1-I3 PolarHBondContact O-N 3.28Å; I3-F5 VanDerWaalsContact C-N 3.33Å; I3-F5 HydrophobicContact CG2-CD2 4.3Å; I3-F5 HydrophobicContact CG2-CE2 4.31Å; I3-F5 PolarHBondContact O-N 3.12Å
4L42Very low67.3Low158 Ų158122.8 Ų122.883%0.82762%0.618SS**  trans-60.398.6164.2-78.7159.5000107.3E2 V6E2-L4 PolarHBondContact O-N 2.96Å; E2-L4 VanDerWaalsContact O-N 3.12Å; L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 PolarHBondContact O-N 2.97Å
5F44.8Very low69.3Low189 Ų189120.5 Ų120.583%0.82963%0.626SS**  trans-63.899.4162-85.6-91.4000106.7I3 D7I3-F5 VanDerWaalsContact C-N 3.33Å; I3-F5 HydrophobicContact CG2-CD2 4.3Å; I3-F5 HydrophobicContact CG2-CE2 4.31Å; I3-F5 PolarHBondContact O-N 3.12Å; F5-D7 PolarHBondContact O-N 3.11Å; F5-D7 VanDerWaalsContact O-N 3.11Å
6V48.3Very low71.2Confident129 Ų129117.6 Ų117.678%0.78261%0.611SS**  trans-61.8111.4163.6-173.90000105.1L4 A8L4-V6 VanDerWaalsContact C-N 3.31Å; L4-V6 PolarHBondContact O-N 2.97Å; V6-A8 PolarHBondContact O-N 2.9Å
7D52.3Low72.8Confident128 Ų128111.4 Ų111.468%0.68458%0.58SS**  trans-56.9107.5177.9-155.92.3000106.8F5 D9 K10F5-D7 PolarHBondContact O-N 3.11Å; F5-D7 VanDerWaalsContact O-N 3.11Å; D7-D9 PolarHBondContact O-N 3.25Å; D7-K10 IonicContact OD1-NZ 3.38Å
8A65.8Low74.2Confident74 Ų74105.2 Ų105.261%0.61255%0.548SS*.  trans-60127.9-175.100000107.9V6 K10V6-A8 PolarHBondContact O-N 2.9Å; A8-K10 WeakPolarHBondContact O-CG 3.32Å; A8-K10 PolarHBondContact O-N 3.24Å
9D81.3Confident75.5Confident75 Ų7599.7 Ų99.740%0.40152%0.519SS..  trans-53106.4-179-178.66.4000110.4D7 R11 K13D7-D9 PolarHBondContact O-N 3.25Å; D9-R11 PolarHBondContact O-N 2.73Å; D9-R11 VanDerWaalsContact OD1-CB 3.27Å; D9-R11 WeakPolarHBondContact OD1-CB 3.27Å; D9-R11 WeakPolarHBondContact OD1-CG 3.22Å; D9-R11 IonicContact OD1-CZ 2.68Å; D9-R11 PolarHBondContact OD1-N 3.23Å; D9-R11 VanDerWaalsContact OD1-N 3.16Å; D9-R11 IonicContact OD1-NE 3.73Å; D9-R11 PolarHBondContact OD1-NE 2.67Å; D9-R11 IonicContact OD1-NH2 2.84Å; D9-R11 IonicContact OD2-CZ 3.98Å; D9-R11 IonicContact OD2-NE 3.67Å; D9-R11 PolarHBondContact OD2-NE 2.9Å; D9-R11 IonicContact OD2-NH2 2.86Å; D9-R11 PolarHBondContact OD2-NH2 3.16Å; D9-K13 IonicContact OD2-NZ 3.16Å; D9-K13 PolarHBondContact OD2-NZ 2.89Å
10K91.1Very high76.7Confident161 Ų16194.8 Ų94.870%0.749%0.494SS*.  trans-77.42.3-175.3-60.5-177.5-176.2166.30112.9D7 A8D7-K10 IonicContact OD1-NZ 3.38Å; A8-K10 WeakPolarHBondContact O-CG 3.32Å; A8-K10 PolarHBondContact O-N 3.24Å
11R97.1Very high77.7Confident76 Ų7690.2 Ų90.229%0.28747%0.47SS..SBendtrans-74.3141.9179.6-64.3178.8-62.5145.49.5111.3D9 K13 L40 N42 D44D9-R11 PolarHBondContact O-N 2.73Å; D9-R11 VanDerWaalsContact OD1-CB 3.27Å; D9-R11 WeakPolarHBondContact OD1-CB 3.27Å; D9-R11 WeakPolarHBondContact OD1-CG 3.22Å; D9-R11 IonicContact OD1-CZ 2.68Å; D9-R11 PolarHBondContact OD1-N 3.23Å; D9-R11 VanDerWaalsContact OD1-N 3.16Å; D9-R11 IonicContact OD1-NE 3.73Å; D9-R11 PolarHBondContact OD1-NE 2.67Å; D9-R11 IonicContact OD1-NH2 2.84Å; D9-R11 IonicContact OD2-CZ 3.98Å; D9-R11 IonicContact OD2-NE 3.67Å; D9-R11 PolarHBondContact OD2-NE 2.9Å; D9-R11 IonicContact OD2-NH2 2.86Å; D9-R11 PolarHBondContact OD2-NH2 3.16Å; R11-K13 PolarHBondContact O-N 3.06Å; R11-L40 WeakPolarHBondContact CD-O 3.2Å; R11-N42 CarbonylContact C-O 3.55Å; R11-N42 VanDerWaalsContact CA-O 3.3Å; R11-N42 WeakPolarHBondContact CA-O 3.4Å; R11-D44 HydrophobicContact CB-CB 3.97Å; R11-D44 IonicContact CZ-OD1 2.83Å; R11-D44 VanDerWaalsContact CZ-OD1 3.26Å; R11-D44 IonicContact NH1-OD1 2.84Å; R11-D44 PolarHBondContact NH1-OD1 3.12Å; R11-D44 VanDerWaalsContact NH2-CG 3.27Å; R11-D44 IonicContact NH2-OD1 3.72Å; R11-D44 PolarHBondContact NH2-OD1 3.32Å; R11-D44 IonicContact NH2-OD2 3.29Å
12I98Very high80.5Confident37 Ų3779.7 Ų79.719%0.1942%0.419CS..EExtended strand (participates in β ladder)trans-66.9120.8175.6-60.9164.7000108.5N42 V43 D44 D358 L359 F362I12-N42 PolarHBondContact N-O 2.68Å; I12-V43 HydrophobicContact CD1-CG2 4.48Å; I12-D44 PolarHBondContact O-N 2.89Å; I12-D358 HydrophobicContact CD1-CB 4.49Å; I12-D358 HydrophobicContact CG1-CB 4.43Å; I12-D358 HydrophobicContact CG2-CB 4.06Å; I12-L359 HydrophobicContact CG2-CB 4.24Å; I12-F362 HydrophobicContact CD1-CB 3.45Å; I12-F362 VanDerWaalsContact CD1-CB 3.45Å; I12-F362 HydrophobicContact CD1-CD2 4.29Å; I12-F362 HydrophobicContact CD1-CG 3.93Å
13K98.3Very high83.3Confident111 Ų11170.6 Ų70.648%0.48338%0.376SS..EExtended strand (participates in β ladder)trans-77.1130.2177.7-57.9-51.7-167.6177.30110.6D9 R11 D44 N356D9-K13 IonicContact OD2-NZ 3.16Å; D9-K13 PolarHBondContact OD2-NZ 2.89Å; R11-K13 PolarHBondContact O-N 3.06Å; K13-D44 HydrophobicContact CD-CB 3.82Å; K13-D44 WeakPolarHBondContact CD-OD2 3.5Å; K13-D44 IonicContact NZ-OD2 3.79Å; K13-D44 PolarHBondContact NZ-OD2 3.08Å; K13-N356 PolarHBondContact O-ND2 2.87Å
14V98.4Very high85.9Confident18 Ų1864.6 Ų64.611%0.10935%0.345CS..  trans-114.7125.3176.9-171.10000109.3N16 V43 D44 V45 R350 L359V14-N16 WeakPolarHBondContact CG1-O 3.3Å; V14-V43 HydrophobicContact CG2-CG1 3.44Å; V14-V43 VanDerWaalsContact CG2-CG1 3.44Å; V14-D44 PolarHBondContact N-O 3.33Å; V14-V45 HydrophobicContact CB-CB 3.98Å; V14-V45 HydrophobicContact CB-CG2 4.07Å; V14-V45 HydrophobicContact CG1-CB 4.5Å; V14-V45 HydrophobicContact CG1-CG2 4.07Å; V14-V45 HydrophobicContact CG2-CB 3.94Å; V14-V45 HydrophobicContact CG2-CG2 4.37Å; V14-R350 HydrophobicContact CG1-CG 3.77Å; V14-L359 HydrophobicContact CG1-CD2 3.96Å; V14-L359 HydrophobicContact CG2-CD1 4.05Å; V14-L359 HydrophobicContact CG2-CD2 3.83Å; V14-L359 HydrophobicContact CG2-CG 4.49Å
15A97.6Very high88.5Confident89 Ų8957.5 Ų57.574%0.73631%0.308SS*.SBendtrans-77.1-38.2-171.500000112.8
16N98.5Very high91.1Very high73 Ų7348.7 Ų48.739%0.3927%0.269SS..SBendtrans-111.2149.9-177.6-70.7-66.5000111.6V14 D354V14-N16 WeakPolarHBondContact CG1-O 3.3Å; N16-D354 PolarHBondContact N-OD2 2.81Å; N16-D354 PolarHBondContact ND2-OD1 2.94Å
17P98.6Very high93.5Very high13 Ų1342.5 Ų42.58%0.08423%0.232CC..  trans-73.4164.4-176.230.4-36.9000113.1D46 K48 Y75P17-D46 CarbonylContact C-O 3.59Å; P17-D46 WeakPolarHBondContact CA-O 3.37Å; P17-D46 HydrophobicContact CB-CB 4.06Å; P17-D46 WeakPolarHBondContact CB-O 3.41Å; P17-K48 HydrophobicContact CB-CG 3.97Å; P17-K48 HydrophobicContact CG-CG 4.45Å; P17-Y75 HydrophobicContact CB-CD1 4.48Å; P17-Y75 HydrophobicContact CG-CD1 3.22Å; P17-Y75 HydrophobicContact CG-CD2 4.49Å; P17-Y75 HydrophobicContact CG-CE1 3.52Å; P17-Y75 HydrophobicContact CG-CG 3.75Å
18V98.9Very high95.7Very high0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-120.2136167.9174.80000108.4V45 D46 L47 K48 V77 V79 L347 R350V18-V45 HydrophobicContact CB-CG2 4.32Å; V18-V45 HydrophobicContact CG2-CG2 4.04Å; V18-D46 PolarHBondContact N-O 2.87Å; V18-L47 HydrophobicContact CB-CD2 4.15Å; V18-L47 WeakPolarHBondContact O-CA 3.17Å; V18-K48 PolarHBondContact O-N 2.87Å; V18-V77 HydrophobicContact CG1-CG1 4.11Å; V18-V77 HydrophobicContact CG2-CB 4.44Å; V18-V77 HydrophobicContact CG2-CG1 4.29Å; V18-V79 HydrophobicContact CG1-CG1 4.15Å; V18-V79 HydrophobicContact CG1-CG2 4.02Å; V18-L347 HydrophobicContact CG2-CD2 4.31Å; V18-R350 HydrophobicContact CG2-CB 4.07Å; V18-R350 HydrophobicContact CG2-CG 3.92Å
19V98.9Very high97.2Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-77.1125.6172.5178.10000108.6M21 K48 Y50 A71 Y75 V77 A78 V79V19-M21 HydrophobicContact CG1-CE 4.05Å; V19-M21 HydrophobicContact CG1-CG 4.18Å; V19-K48 WeakPolarHBondContact CA-O 3.5Å; V19-K48 HydrophobicContact CG2-CB 4.27Å; V19-Y50 HydrophobicContact CG1-CD2 3.77Å; V19-Y50 HydrophobicContact CG1-CE2 4Å; V19-A71 HydrophobicContact CG2-CB 3.93Å; V19-Y75 HydrophobicContact CG2-CD2 4.01Å; V19-V77 WeakPolarHBondContact CB-O 3.44Å; V19-V77 PolarHBondContact N-O 3.02Å; V19-A78 HydrophobicContact CB-CB 4.01Å; V19-A78 HydrophobicContact CG1-CB 4.31Å; V19-A78 CarbonylContact O-C 3.6Å; V19-A78 VanDerWaalsContact O-CA 3.28Å; V19-A78 WeakPolarHBondContact O-CA 3.36Å; V19-V79 PolarHBondContact O-N 3.3Å
20E98.8Very high98Very high1 Ų136 Ų361%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-106.8121.5173.8-176.1-167.2171.700108.6W31 K35 L47 K48 Y49 Y50 V79 W343E20-W31 HydrophobicContact CG-CZ2 4.34Å; E20-W31 PolarHBondContact OE1-NE1 2.89Å; E20-K35 WeakPolarHBondContact OE1-CD 3.33Å; E20-K35 IonicContact OE1-NZ 3.88Å; E20-K35 PolarHBondContact OE1-NZ 2.9Å; E20-K35 WeakPolarHBondContact OE2-CE 3.36Å; E20-K35 IonicContact OE2-NZ 2.9Å; E20-K35 PolarHBondContact OE2-NZ 3.41Å; E20-L47 HydrophobicContact CB-CB 4.48Å; E20-L47 WeakPolarHBondContact OE2-CD1 3.48Å; E20-K48 PolarHBondContact N-O 2.89Å; E20-Y49 HydrophobicContact CB-CD2 4.48Å; E20-Y49 HydrophobicContact CG-CD2 4.28Å; E20-Y49 WeakPolarHBondContact OE2-CD2 3.46Å; E20-Y50 PolarHBondContact O-N 2.96Å; E20-V79 HydrophobicContact CB-CG2 4.47Å; E20-V79 HydrophobicContact CG-CG2 4.49Å; E20-W343 HydrophobicContact CG-CH2 4.07Å; E20-W343 HydrophobicContact CG-CZ2 4.08Å
21M98.9Very high98.4Very high0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-107.8104.4173.7-61-178.9-169.100109.1V19 Y50 L52 S68 T72 A78 V79 K80 C81 I107V19-M21 HydrophobicContact CG1-CE 4.05Å; V19-M21 HydrophobicContact CG1-CG 4.18Å; M21-Y50 WeakPolarHBondContact CA-O 3.44Å; M21-L52 HydrophobicContact CB-CD1 3.76Å; M21-L52 HydrophobicContact CB-CG 4.06Å; M21-L52 HydrophobicContact CG-CD1 3.96Å; M21-L52 HydrophobicContact CG-CG 4.44Å; M21-L52 HydrophobicContact SD-CD1 3.74Å; M21-S68 WeakPolarHBondContact CE-O 3.22Å; M21-S68 WeakPolarHBondContact CE-OG 3.27Å; M21-T72 WeakPolarHBondContact CE-OG1 3.24Å; M21-A78 HydrophobicContact CE-CB 3.9Å; M21-V79 PolarHBondContact N-O 3.27Å; M21-K80 HydrophobicContact CB-CB 3.98Å; M21-K80 HydrophobicContact CB-CG 3.87Å; M21-K80 HydrophobicContact SD-CB 4.24Å; M21-K80 HydrophobicContact SD-CD 3.9Å; M21-K80 HydrophobicContact SD-CG 4.17Å; M21-C81 WeakPolarHBondContact O-CB 3.33Å; M21-C81 PolarHBondContact O-N 2.98Å; M21-I107 HydrophobicContact CE-CD1 4.23Å; M21-I107 HydrophobicContact SD-CD1 3.57Å; M21-I107 VanDerWaalsContact SD-CD1 3.57Å; M21-I107 HydrophobicContact SD-CG1 4.5Å
22D98.7Very high98.5Very high15 Ų1531 Ų318%0.0816%0.163CC..EExtended strand (participates in β ladder)trans-71.2165.8176-153.1-9.2000111.1R28 Y49 Y50 L52D22-R28 IonicContact OD2-CZ 2.62Å; D22-R28 IonicContact OD2-NE 2.63Å; D22-R28 IonicContact OD2-NH1 3.91Å; D22-R28 IonicContact OD2-NH2 2.8Å; D22-R28 PolarHBondContact OD2-NH2 3.45Å; D22-Y49 HydrophobicContact CB-CE2 3.71Å; D22-Y49 WeakPolarHBondContact CB-OH 3.25Å; D22-Y49 PolarHBondContact OD2-OH 3.41Å; D22-Y50 PolarHBondContact N-O 3.28Å; D22-L52 WeakPolarHBondContact O-CA 3.43Å; D22-L52 VanDerWaalsContact O-CB 3.24Å; D22-L52 WeakPolarHBondContact O-CB 3.38Å; D22-L52 PolarHBondContact O-N 3.13Å; D22-L52 VanDerWaalsContact O-N 3.14Å
23G98.3Very high98.5Very high0 Ų031 Ų310%016%0.161CC..  trans-139.5-150.1-169.500000113.8R28 A82G23-R28 VanDerWaalsContact O-CD 3.27Å; G23-R28 WeakPolarHBondContact O-CD 3.25Å; G23-R28 PolarHBondContact O-NH1 2.79Å; G23-A82 VanDerWaalsContact CA-O 3.29Å; G23-A82 WeakPolarHBondContact CA-O 3.46Å
24D98.6Very high98.5Very high9 Ų925.8 Ų25.85%0.04814%0.138CC..  trans-125.1164.4-168.9-67.3-64.7000113.1T27 R28 G53 L54 R57 A82 T83 I84 T318D24-T27 PolarHBondContact O-N 3.03Å; D24-T27 PolarHBondContact O-OG1 2.8Å; D24-R28 PolarHBondContact O-N 3.5Å; D24-G53 VanDerWaalsContact OD1-CA 3.22Å; D24-G53 WeakPolarHBondContact OD1-CA 3.39Å; D24-L54 PolarHBondContact OD1-N 3.03Å; D24-L54 PolarHBondContact OD2-N 2.88Å; D24-R57 IonicContact OD2-NH2 3.98Å; D24-A82 PolarHBondContact N-O 2.62Å; D24-T83 WeakPolarHBondContact OD2-CA 3.42Å; D24-I84 HydrophobicContact CB-CD1 3.88Å; D24-I84 HydrophobicContact CB-CG1 3.74Å; D24-I84 PolarHBondContact OD2-N 2.88Å; D24-T318 HydrophobicContact CB-CG2 4Å
25E98.4Very high98.6Very high10 Ų1026.5 Ų26.55%0.04714%0.14CC..Hα-helixtrans50.6-132.2166.7-56.4-176.2144.300114.8T27 R28 I29 I84 R90 T318 T320 Y323E25-T27 VanDerWaalsContact C-N 3.29Å; E25-T27 PolarHBondContact O-N 2.84Å; E25-R28 PolarHBondContact O-N 2.93Å; E25-I29 PolarHBondContact O-N 2.91Å; E25-I84 HydrophobicContact CG-CD1 3.9Å; E25-I84 HydrophobicContact CG-CG1 4.34Å; E25-R90 IonicContact OE1-CZ 3.66Å; E25-R90 VanDerWaalsContact OE1-CZ 3.29Å; E25-R90 IonicContact OE1-NH1 2.75Å; E25-R90 PolarHBondContact OE1-NH1 3.31Å; E25-R90 IonicContact OE1-NH2 3.59Å; E25-R90 PolarHBondContact OE1-NH2 2.82Å; E25-R90 IonicContact OE2-NH2 3.5Å; E25-T318 WeakPolarHBondContact OE2-CB 3.46Å; E25-T318 PolarHBondContact OE2-OG1 3.3Å; E25-T320 WeakPolarHBondContact OE1-CG2 3.46Å; E25-T320 PolarHBondContact OE1-OG1 3.18Å; E25-T320 VanDerWaalsContact OE2-CA 3.22Å; E25-T320 WeakPolarHBondContact OE2-CA 3.41Å; E25-T320 VanDerWaalsContact OE2-CB 3.31Å; E25-T320 WeakPolarHBondContact OE2-CB 3.4Å; E25-T320 PolarHBondContact OE2-N 3.46Å; E25-T320 PolarHBondContact OE2-OG1 3.3Å; E25-Y323 HydrophobicContact CB-CD1 3.66Å; E25-Y323 HydrophobicContact CB-CD2 3.88Å; E25-Y323 HydrophobicContact CB-CE1 4.18Å; E25-Y323 HydrophobicContact CB-CE2 4.37Å; E25-Y323 HydrophobicContact CB-CG 3.49Å; E25-Y323 VanDerWaalsContact CB-CG 3.49Å; E25-Y323 HydrophobicContact CG-CD1 3.63Å; E25-Y323 HydrophobicContact CG-CE1 3.99Å; E25-Y323 HydrophobicContact CG-CG 4.02Å
26M98.4Very high98.6Very high3 Ų326.5 Ų26.52%0.01513%0.125CC..Hα-helixtrans-67.6-33.9-172.8-167.466.4-130.600111.6I29 I30 T318 V319 H322 H326 T332 T334 T402M26-I29 HydrophobicContact CE-CB 4.32Å; M26-I29 HydrophobicContact CE-CD1 4.36Å; M26-I29 HydrophobicContact CE-CG2 4.26Å; M26-I29 PolarHBondContact O-N 3.41Å; M26-I29 HydrophobicContact SD-CD1 4.38Å; M26-I30 HydrophobicContact CE-CD1 4.31Å; M26-I30 HydrophobicContact CE-CG1 4.19Å; M26-I30 HydrophobicContact CG-CD1 4.29Å; M26-I30 WeakPolarHBondContact O-CG1 3.31Å; M26-I30 PolarHBondContact O-N 2.63Å; M26-T318 WeakPolarHBondContact CB-O 3.46Å; M26-T318 PolarHBondContact N-O 2.85Å; M26-V319 HydrophobicContact CB-CB 4.19Å; M26-H322 HydrophobicContact CG-CB 4.23Å; M26-H322 HydrophobicContact SD-CB 4.49Å; M26-H326 HydrophobicContact SD-CB 4.24Å; M26-T332 HydrophobicContact SD-CG2 4.36Å; M26-T334 HydrophobicContact CG-CG2 3.97Å; M26-T334 WeakPolarHBondContact CG-OG1 3.15Å; M26-T402 HydrophobicContact CE-CG2 4.13Å
27T97.9Very high98.6Very high0 Ų027.8 Ų27.80%013%0.127CC..Hα-helixtrans-67.8-36.3177.536.20000111.9D24 E25 I29 I30 W31 C81 A82 T318 V319D24-T27 PolarHBondContact O-N 3.03Å; D24-T27 PolarHBondContact O-OG1 2.8Å; E25-T27 VanDerWaalsContact C-N 3.29Å; E25-T27 PolarHBondContact O-N 2.84Å; T27-I29 VanDerWaalsContact C-N 3.33Å; T27-I29 PolarHBondContact O-N 3.19Å; T27-I30 PolarHBondContact O-N 2.88Å; T27-W31 WeakPolarHBondContact O-CB 3.37Å; T27-W31 PolarHBondContact O-N 3.24Å; T27-C81 VanDerWaalsContact C-SG 3.55Å; T27-A82 HydrophobicContact CG2-CB 3.96Å; T27-T318 WeakPolarHBondContact OG1-CA 3.39Å; T27-V319 HydrophobicContact CG2-CG2 4.45Å
28R98.6Very high98.6Very high79 Ų7927.2 Ų27.230%0.29812%0.123SC..Hα-helixtrans-59.5-42.6174-167.3-178.5-173.2109.7-5.2112.2D22 G23 D24 E25 W31 E32 D51D22-R28 IonicContact OD2-CZ 2.62Å; D22-R28 IonicContact OD2-NE 2.63Å; D22-R28 IonicContact OD2-NH1 3.91Å; D22-R28 IonicContact OD2-NH2 2.8Å; D22-R28 PolarHBondContact OD2-NH2 3.45Å; G23-R28 VanDerWaalsContact O-CD 3.27Å; G23-R28 WeakPolarHBondContact O-CD 3.25Å; G23-R28 PolarHBondContact O-NH1 2.79Å; D24-R28 PolarHBondContact O-N 3.5Å; E25-R28 PolarHBondContact O-N 2.93Å; R28-W31 WeakPolarHBondContact O-CB 3.09Å; R28-W31 PolarHBondContact O-N 3.16Å; R28-E32 PolarHBondContact O-N 2.65Å; R28-E32 VanDerWaalsContact O-N 3.09Å; R28-D51 IonicContact CZ-OD1 2.98Å; R28-D51 IonicContact CZ-OD2 3.82Å; R28-D51 IonicContact NH1-OD1 2.77Å; R28-D51 PolarHBondContact NH1-OD1 3.06Å; R28-D51 IonicContact NH1-OD2 2.86Å; R28-D51 IonicContact NH2-OD1 2.85Å; R28-D51 PolarHBondContact NH2-OD1 3.42Å; R28-D51 IonicContact NH2-OD2 2.69Å; R28-D51 PolarHBondContact NH2-OD2 3.46Å
29I98.4Very high98.6Very high58 Ų5827.2 Ų27.230%0.29712%0.123SC..Hα-helixtrans-62.8-45.8177.4-62.2163.7000111.1E25 M26 T27 W31 F33 Y323 H326E25-I29 PolarHBondContact O-N 2.91Å; M26-I29 HydrophobicContact CE-CB 4.32Å; M26-I29 HydrophobicContact CE-CD1 4.36Å; M26-I29 HydrophobicContact CE-CG2 4.26Å; M26-I29 PolarHBondContact O-N 3.41Å; M26-I29 HydrophobicContact SD-CD1 4.38Å; T27-I29 VanDerWaalsContact C-N 3.33Å; T27-I29 PolarHBondContact O-N 3.19Å; I29-W31 VanDerWaalsContact C-N 3.33Å; I29-F33 PolarHBondContact O-N 2.88Å; I29-Y323 HydrophobicContact CD1-CD2 4.08Å; I29-Y323 HydrophobicContact CD1-CE2 3.96Å; I29-H326 VanDerWaalsContact CD1-CD2 3.4Å; I29-H326 WeakPolarHBondContact CD1-CD2 3.18Å; I29-H326 VanDerWaalsContact CD1-NE2 3.31Å; I29-H326 WeakPolarHBondContact CD1-NE2 3.38Å
30I98.6Very high98.5Very high2 Ų229.3 Ų29.31%0.0113%0.134CC..Hα-helixtrans-65.7-40.3177.9-69.7167.9000110.6M26 T27 E32 F33 I34 T334 P336 T402 L406M26-I30 HydrophobicContact CE-CD1 4.31Å; M26-I30 HydrophobicContact CE-CG1 4.19Å; M26-I30 HydrophobicContact CG-CD1 4.29Å; M26-I30 WeakPolarHBondContact O-CG1 3.31Å; M26-I30 PolarHBondContact O-N 2.63Å; T27-I30 PolarHBondContact O-N 2.88Å; I30-E32 PolarHBondContact O-N 2.65Å; I30-F33 PolarHBondContact O-N 2.7Å; I30-I34 HydrophobicContact CG2-CD1 3.6Å; I30-I34 HydrophobicContact CG2-CG1 4.23Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.35Å; I30-I34 PolarHBondContact O-N 2.98Å; I30-T334 HydrophobicContact CD1-CG2 3.62Å; I30-P336 HydrophobicContact CG2-CB 3.51Å; I30-T402 HydrophobicContact CD1-CG2 4.03Å; I30-T402 HydrophobicContact CG1-CG2 3.84Å; I30-L406 HydrophobicContact CG1-CD1 4.5Å
31W98.8Very high98.4Very high2 Ų231.9 Ų31.91%0.00815%0.15CC..Hα-helixtrans-60.6-44.6-178.5-166.5-103.6000112.2E20 T27 R28 I29 F33 I34 K35 V79 C81 A342 W343E20-W31 HydrophobicContact CG-CZ2 4.34Å; E20-W31 PolarHBondContact OE1-NE1 2.89Å; T27-W31 WeakPolarHBondContact O-CB 3.37Å; T27-W31 PolarHBondContact O-N 3.24Å; R28-W31 WeakPolarHBondContact O-CB 3.09Å; R28-W31 PolarHBondContact O-N 3.16Å; I29-W31 VanDerWaalsContact C-N 3.33Å; W31-F33 PolarHBondContact O-N 2.83Å; W31-I34 PolarHBondContact O-N 3.43Å; W31-K35 WeakPolarHBondContact O-CB 3.37Å; W31-K35 PolarHBondContact O-N 2.76Å; W31-V79 HydrophobicContact CH2-CB 3.97Å; W31-V79 HydrophobicContact CH2-CG2 4.26Å; W31-V79 HydrophobicContact CZ2-CB 4.15Å; W31-V79 HydrophobicContact CZ2-CG2 3.93Å; W31-C81 HydrophobicContact CB-CB 4.41Å; W31-C81 HydrophobicContact CD2-CB 3.68Å; W31-C81 HydrophobicContact CE3-CB 3.93Å; W31-C81 HydrophobicContact CG-CB 3.91Å; W31-C81 HydrophobicContact CZ2-CB 4.44Å; W31-C81 HydrophobicContact CZ3-CB 4.42Å; W31-A342 HydrophobicContact CH2-CB 4.43Å; W31-A342 HydrophobicContact CZ3-CB 4.28Å; W31-W343 AromaticContact CD2-NE1 3.43Å; W31-W343 AromaticContact CE2-CE2 3.71Å; W31-W343 AromaticContact CE2-CZ2 3.7Å; W31-W343 AromaticContact CE2-NE1 3.27Å; W31-W343 VanDerWaalsContact CE2-NE1 3.27Å; W31-W343 AromaticContact CE3-CD1 3.89Å; W31-W343 AromaticContact CE3-NE1 3.43Å; W31-W343 AromaticContact CH2-CD1 3.51Å; W31-W343 HydrophobicContact CH2-CD2 4.48Å; W31-W343 AromaticContact CH2-CE2 3.85Å; W31-W343 HydrophobicContact CH2-CG 4.31Å; W31-W343 HydrophobicContact CH2-CZ2 4.47Å; W31-W343 AromaticContact CH2-NE1 3.18Å; W31-W343 AromaticContact CZ2-CD1 3.97Å; W31-W343 HydrophobicContact CZ2-CD2 4.43Å; W31-W343 AromaticContact CZ2-CE2 3.48Å; W31-W343 VanDerWaalsContact CZ2-CE2 3.48Å; W31-W343 AromaticContact CZ2-CZ2 3.67Å; W31-W343 HydrophobicContact CZ2-CZ2 3.67Å; W31-W343 AromaticContact CZ2-NE1 3.17Å; W31-W343 AromaticContact CZ3-CD1 3.45Å; W31-W343 VanDerWaalsContact CZ3-CD1 3.45Å; W31-W343 AromaticContact CZ3-NE1 3.31Å; W31-W343 VanDerWaalsContact CZ3-NE1 3.31Å; W31-W343 AromaticContact NE1-CZ2 3.73Å
32E98.6Very high98.4Very high132 Ų13232.2 Ų32.262%0.61715%0.152SC*.Hα-helixtrans-57.7-47.6174.4-174.7-178.3176.500111.4R28 I30 I34 K35 E36R28-E32 PolarHBondContact O-N 2.65Å; R28-E32 VanDerWaalsContact O-N 3.09Å; I30-E32 PolarHBondContact O-N 2.65Å; E32-I34 PolarHBondContact O-N 3.23Å; E32-K35 PolarHBondContact O-N 3.08Å; E32-E36 HydrophobicContact CG-CG 4.26Å; E32-E36 WeakPolarHBondContact O-CB 3.43Å; E32-E36 WeakPolarHBondContact O-CG 3.46Å; E32-E36 PolarHBondContact O-N 3.44Å
33F98.7Very high98.4Very high37 Ų3731.5 Ų31.516%0.16215%0.148CC..Hα-helixtrans-59.8-47.4177.2-173.9-74.7000111.6I29 I30 W31 K35 E36 K37 L38 L406 D407 K410I29-F33 PolarHBondContact O-N 2.88Å; I30-F33 PolarHBondContact O-N 2.7Å; W31-F33 PolarHBondContact O-N 2.83Å; F33-K35 PolarHBondContact O-N 2.72Å; F33-E36 PolarHBondContact O-N 3.44Å; F33-K37 HydrophobicContact CD1-CB 4Å; F33-K37 HydrophobicContact CD1-CG 4.28Å; F33-K37 HydrophobicContact CD2-CG 4.06Å; F33-K37 HydrophobicContact CE1-CB 3.76Å; F33-K37 HydrophobicContact CE1-CG 4.23Å; F33-K37 HydrophobicContact CE2-CB 4.42Å; F33-K37 HydrophobicContact CE2-CG 4.03Å; F33-K37 HydrophobicContact CG-CB 4.41Å; F33-K37 HydrophobicContact CG-CG 4.19Å; F33-K37 HydrophobicContact CZ-CB 4Å; F33-K37 HydrophobicContact CZ-CG 4.11Å; F33-K37 WeakPolarHBondContact O-CA 3.24Å; F33-K37 VanDerWaalsContact O-CB 3.24Å; F33-K37 WeakPolarHBondContact O-CB 3.35Å; F33-K37 PolarHBondContact O-N 3.23Å; F33-L38 HydrophobicContact CD1-CG 4.37Å; F33-L38 HydrophobicContact CE1-CD2 4.15Å; F33-L38 HydrophobicContact CE1-CG 4.17Å; F33-L406 HydrophobicContact CB-CD1 4.03Å; F33-L406 HydrophobicContact CD1-CB 3.85Å; F33-L406 HydrophobicContact CD1-CD1 4.04Å; F33-L406 HydrophobicContact CD1-CD2 3.78Å; F33-L406 HydrophobicContact CD1-CG 4.11Å; F33-L406 HydrophobicContact CD2-CB 4.34Å; F33-L406 HydrophobicContact CD2-CD1 4.3Å; F33-L406 HydrophobicContact CE1-CB 3.61Å; F33-L406 HydrophobicContact CE1-CD2 4.14Å; F33-L406 HydrophobicContact CE1-CG 4.34Å; F33-L406 HydrophobicContact CE2-CB 4.09Å; F33-L406 HydrophobicContact CG-CB 4.23Å; F33-L406 HydrophobicContact CG-CD1 3.87Å; F33-L406 HydrophobicContact CG-CD2 4.43Å; F33-L406 HydrophobicContact CG-CG 4.41Å; F33-L406 HydrophobicContact CZ-CB 3.73Å; F33-D407 WeakPolarHBondContact CE2-OD1 3.35Å; F33-D407 WeakPolarHBondContact CZ-OD1 3.12Å; F33-K410 HydrophobicContact CE1-CB 4.47Å; F33-K410 HydrophobicContact CZ-CB 4.38Å
34I98.8Very high98.4Very high0 Ų034 Ų340%016%0.162CC..Iπ-helixtrans-58.1-52-178.9-65.7165.6000109.5I30 W31 E32 L38 I39 I340 W343 L406I30-I34 HydrophobicContact CG2-CD1 3.6Å; I30-I34 HydrophobicContact CG2-CG1 4.23Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.35Å; I30-I34 PolarHBondContact O-N 2.98Å; W31-I34 PolarHBondContact O-N 3.43Å; E32-I34 PolarHBondContact O-N 3.23Å; I34-L38 HydrophobicContact CG1-CD1 4.27Å; I34-L38 HydrophobicContact CG2-CD1 4.42Å; I34-L38 CarbonylContact O-C 3.59Å; I34-L38 WeakPolarHBondContact O-CA 3.45Å; I34-L38 VanDerWaalsContact O-CB 3.28Å; I34-L38 WeakPolarHBondContact O-CB 3.24Å; I34-L38 PolarHBondContact O-N 3.47Å; I34-I39 HydrophobicContact CG2-CD1 4.43Å; I34-I39 HydrophobicContact CG2-CG1 3.99Å; I34-I39 WeakPolarHBondContact O-CG1 3.45Å; I34-I39 PolarHBondContact O-N 3.35Å; I34-I340 HydrophobicContact CD1-CB 4.48Å; I34-I340 HydrophobicContact CD1-CG1 3.61Å; I34-I340 HydrophobicContact CG1-CG1 3.73Å; I34-I340 HydrophobicContact CG2-CG1 4.38Å; I34-W343 HydrophobicContact CG2-CB 4.4Å; I34-W343 VanDerWaalsContact CG2-CD1 3.44Å; I34-W343 HydrophobicContact CG2-CG 3.88Å; I34-L406 HydrophobicContact CG1-CD2 4.47Å
35K98.6Very high98.4Very high34 Ų3434.2 Ų34.215%0.14816%0.163CC..Iπ-helixtrans-56.9-56.4178.7175.1176.3173.3170.50111.9E20 W31 E32 F33 I39 L40 L47 W343E20-K35 WeakPolarHBondContact OE1-CD 3.33Å; E20-K35 IonicContact OE1-NZ 3.88Å; E20-K35 PolarHBondContact OE1-NZ 2.9Å; E20-K35 WeakPolarHBondContact OE2-CE 3.36Å; E20-K35 IonicContact OE2-NZ 2.9Å; E20-K35 PolarHBondContact OE2-NZ 3.41Å; W31-K35 WeakPolarHBondContact O-CB 3.37Å; W31-K35 PolarHBondContact O-N 2.76Å; E32-K35 PolarHBondContact O-N 3.08Å; F33-K35 PolarHBondContact O-N 2.72Å; K35-I39 PolarHBondContact O-N 3.01Å; K35-L40 HydrophobicContact CD-CD1 4.39Å; K35-L40 HydrophobicContact CG-CD1 3.73Å; K35-L40 HydrophobicContact CG-CG 4.03Å; K35-L40 WeakPolarHBondContact O-CB 3.46Å; K35-L40 WeakPolarHBondContact O-CG 3.24Å; K35-L40 PolarHBondContact O-N 3.43Å; K35-L47 HydrophobicContact CD-CD1 4.42Å; K35-W343 HydrophobicContact CB-CH2 4.43Å; K35-W343 HydrophobicContact CB-CZ2 3.98Å; K35-W343 HydrophobicContact CD-CZ2 4.49Å; K35-W343 HydrophobicContact CG-CH2 4.34Å; K35-W343 HydrophobicContact CG-CZ2 4.34Å
36E98.4Very high98.4Very high88 Ų8837.7 Ų37.741%0.41118%0.182SC..Iπ-helixtrans-77.9-28.5-169-66.5-58.6144.300113.6E32 F33 T41E32-E36 HydrophobicContact CG-CG 4.26Å; E32-E36 WeakPolarHBondContact O-CB 3.43Å; E32-E36 WeakPolarHBondContact O-CG 3.46Å; E32-E36 PolarHBondContact O-N 3.44Å; F33-E36 PolarHBondContact O-N 3.44Å; E36-T41 VanDerWaalsContact O-CG2 3.31Å; E36-T41 WeakPolarHBondContact O-CG2 3.48Å
37K98.3Very high98.4Very high101 Ų10139 Ų3944%0.43919%0.189SC..Iπ-helixtrans-110-29.9-172.7-55.4-58.9-178.1-171.70113.9F33 T41 K410F33-K37 HydrophobicContact CD1-CB 4Å; F33-K37 HydrophobicContact CD1-CG 4.28Å; F33-K37 HydrophobicContact CD2-CG 4.06Å; F33-K37 HydrophobicContact CE1-CB 3.76Å; F33-K37 HydrophobicContact CE1-CG 4.23Å; F33-K37 HydrophobicContact CE2-CB 4.42Å; F33-K37 HydrophobicContact CE2-CG 4.03Å; F33-K37 HydrophobicContact CG-CB 4.41Å; F33-K37 HydrophobicContact CG-CG 4.19Å; F33-K37 HydrophobicContact CZ-CB 4Å; F33-K37 HydrophobicContact CZ-CG 4.11Å; F33-K37 WeakPolarHBondContact O-CA 3.24Å; F33-K37 VanDerWaalsContact O-CB 3.24Å; F33-K37 WeakPolarHBondContact O-CB 3.35Å; F33-K37 PolarHBondContact O-N 3.23Å; K37-T41 PolarHBondContact O-OG1 3.44Å; K37-K410 HydrophobicContact CB-CD 4.21Å
38L98.4Very high98.4Very high0 Ų041.7 Ų41.70%020%0.2CC..Iπ-helixtrans-104.2-39.8-177.6-51.3-179.1000112.3F33 I34 N42 I340 F362 L366 I409 K410 L413F33-L38 HydrophobicContact CD1-CG 4.37Å; F33-L38 HydrophobicContact CE1-CD2 4.15Å; F33-L38 HydrophobicContact CE1-CG 4.17Å; I34-L38 HydrophobicContact CG1-CD1 4.27Å; I34-L38 HydrophobicContact CG2-CD1 4.42Å; I34-L38 CarbonylContact O-C 3.59Å; I34-L38 WeakPolarHBondContact O-CA 3.45Å; I34-L38 VanDerWaalsContact O-CB 3.28Å; I34-L38 WeakPolarHBondContact O-CB 3.24Å; I34-L38 PolarHBondContact O-N 3.47Å; L38-N42 PolarHBondContact O-ND2 2.88Å; L38-I340 HydrophobicContact CD1-CD1 4.02Å; L38-I340 HydrophobicContact CD1-CG1 4.16Å; L38-F362 WeakPolarHBondContact O-CZ 3.48Å; L38-L366 HydrophobicContact CB-CD2 4.46Å; L38-I409 HydrophobicContact CD1-CG2 4.03Å; L38-I409 HydrophobicContact CD2-CG2 4.29Å; L38-K410 HydrophobicContact CD2-CB 3.74Å; L38-K410 HydrophobicContact CD2-CG 4.04Å; L38-L413 HydrophobicContact CB-CD2 4.35Å; L38-L413 HydrophobicContact CD2-CD2 4.2Å
39I98.6Very high98.4Very high0 Ų042.7 Ų42.70%021%0.205CC..Iπ-helixtrans-92.4-65.9-173.7-52.9-55.2000112.1I34 K35 T41 N42 V43 W343 L347 F362 L366I34-I39 HydrophobicContact CG2-CD1 4.43Å; I34-I39 HydrophobicContact CG2-CG1 3.99Å; I34-I39 WeakPolarHBondContact O-CG1 3.45Å; I34-I39 PolarHBondContact O-N 3.35Å; K35-I39 PolarHBondContact O-N 3.01Å; I39-T41 PolarHBondContact O-N 2.91Å; I39-T41 VanDerWaalsContact O-N 3.16Å; I39-N42 CarbonylContact O-C 3.58Å; I39-N42 PolarHBondContact O-N 3.48Å; I39-V43 HydrophobicContact CG2-CB 4.4Å; I39-V43 PolarHBondContact O-N 2.96Å; I39-W343 HydrophobicContact CB-CE3 4.41Å; I39-W343 HydrophobicContact CD1-CB 4.08Å; I39-W343 HydrophobicContact CD1-CE3 4.48Å; I39-W343 HydrophobicContact CD1-CG 4.42Å; I39-W343 HydrophobicContact CG1-CB 4.36Å; I39-W343 HydrophobicContact CG1-CD2 3.92Å; I39-W343 HydrophobicContact CG1-CE3 3.86Å; I39-W343 HydrophobicContact CG1-CG 4.16Å; I39-W343 HydrophobicContact CG1-CZ3 4.48Å; I39-W343 HydrophobicContact CG2-CE3 4.02Å; I39-W343 HydrophobicContact CG2-CZ3 4.06Å; I39-L347 HydrophobicContact CD1-CD1 4.04Å; I39-L347 HydrophobicContact CG2-CD1 3.96Å; I39-F362 HydrophobicContact CD1-CE1 4.15Å; I39-F362 HydrophobicContact CD1-CZ 4.34Å; I39-L366 HydrophobicContact CD1-CD2 3.93Å
40L98.3Very high98.5Very high44 Ų4442.7 Ų42.723%0.2320%0.201CC..THydrogen-bonded Turntrans-68.7-17.9-169.6-65.7-176.5000114.2R11 K35 N42 V45 L47R11-L40 WeakPolarHBondContact CD-O 3.2Å; K35-L40 HydrophobicContact CD-CD1 4.39Å; K35-L40 HydrophobicContact CG-CD1 3.73Å; K35-L40 HydrophobicContact CG-CG 4.03Å; K35-L40 WeakPolarHBondContact O-CB 3.46Å; K35-L40 WeakPolarHBondContact O-CG 3.24Å; K35-L40 PolarHBondContact O-N 3.43Å; L40-N42 VanDerWaalsContact C-N 3.26Å; L40-N42 PolarHBondContact O-N 3.47Å; L40-V45 HydrophobicContact CD2-CG1 4.25Å; L40-L47 HydrophobicContact CD2-CD1 4.03Å
41T97Very high98.5Very high55 Ų5544.1 Ų44.134%0.33721%0.209SC..THydrogen-bonded Turntrans-74-16.4171.252.60000113.2E36 K37 I39 K419E36-T41 VanDerWaalsContact O-CG2 3.31Å; E36-T41 WeakPolarHBondContact O-CG2 3.48Å; K37-T41 PolarHBondContact O-OG1 3.44Å; I39-T41 PolarHBondContact O-N 2.91Å; I39-T41 VanDerWaalsContact O-N 3.16Å; T41-K419 PolarHBondContact O-NZ 2.97Å
42N98.1Very high98.5Very high7 Ų744 Ų444%0.03721%0.209CC..THydrogen-bonded Turntrans-122.7-24.2-173.8-65.2-61.3000113.1R11 I12 L38 I39 L40 F362 L417 K419R11-N42 CarbonylContact C-O 3.55Å; R11-N42 VanDerWaalsContact CA-O 3.3Å; R11-N42 WeakPolarHBondContact CA-O 3.4Å; I12-N42 PolarHBondContact N-O 2.68Å; L38-N42 PolarHBondContact O-ND2 2.88Å; I39-N42 CarbonylContact O-C 3.58Å; I39-N42 PolarHBondContact O-N 3.48Å; L40-N42 VanDerWaalsContact C-N 3.26Å; L40-N42 PolarHBondContact O-N 3.47Å; N42-F362 HydrophobicContact CB-CD2 4.11Å; N42-F362 HydrophobicContact CB-CE2 3.38Å; N42-F362 HydrophobicContact CB-CZ 3.8Å; N42-L417 HydrophobicContact CB-CD1 4.45Å; N42-L417 VanDerWaalsContact OD1-CD1 3.25Å; N42-L417 WeakPolarHBondContact OD1-CD1 3.28Å; N42-K419 WeakPolarHBondContact OD1-CE 3.39Å; N42-K419 PolarHBondContact OD1-NZ 2.86Å
43V98.4Very high98.5Very high0 Ų037.8 Ų37.80%018%0.18CC..EExtended strand (participates in β ladder)trans-130.7129.3-172.7-174.40000109.6I12 V14 I39 V45 L359 F362I12-V43 HydrophobicContact CD1-CG2 4.48Å; V14-V43 HydrophobicContact CG2-CG1 3.44Å; V14-V43 VanDerWaalsContact CG2-CG1 3.44Å; I39-V43 HydrophobicContact CG2-CB 4.4Å; I39-V43 PolarHBondContact O-N 2.96Å; V43-V45 HydrophobicContact CG1-CB 4.01Å; V43-V45 HydrophobicContact CG1-CG1 4.04Å; V43-L359 HydrophobicContact CG1-CD1 3.78Å; V43-L359 HydrophobicContact CG2-CD1 4.13Å; V43-F362 HydrophobicContact CG2-CD1 3.62Å; V43-F362 HydrophobicContact CG2-CE1 3.5Å; V43-F362 HydrophobicContact CG2-CE2 4.45Å; V43-F362 HydrophobicContact CG2-CG 4.16Å; V43-F362 HydrophobicContact CG2-CZ 3.96Å
44D98.3Very high98.4Very high54 Ų5436 Ų3629%0.28917%0.172SC..EExtended strand (participates in β ladder)trans-99.290173-168.436.4000108.5R11 I12 K13 V14R11-D44 HydrophobicContact CB-CB 3.97Å; R11-D44 IonicContact CZ-OD1 2.83Å; R11-D44 VanDerWaalsContact CZ-OD1 3.26Å; R11-D44 IonicContact NH1-OD1 2.84Å; R11-D44 PolarHBondContact NH1-OD1 3.12Å; R11-D44 VanDerWaalsContact NH2-CG 3.27Å; R11-D44 IonicContact NH2-OD1 3.72Å; R11-D44 PolarHBondContact NH2-OD1 3.32Å; R11-D44 IonicContact NH2-OD2 3.29Å; I12-D44 PolarHBondContact O-N 2.89Å; K13-D44 HydrophobicContact CD-CB 3.82Å; K13-D44 WeakPolarHBondContact CD-OD2 3.5Å; K13-D44 IonicContact NZ-OD2 3.79Å; K13-D44 PolarHBondContact NZ-OD2 3.08Å; V14-D44 PolarHBondContact N-O 3.33Å
45V98.1Very high98.4Very high13 Ų1339.9 Ų39.98%0.07920%0.197CC..  trans-121.8135.9-176.357.60000110.5V14 V18 L40 V43 L47V14-V45 HydrophobicContact CB-CB 3.98Å; V14-V45 HydrophobicContact CB-CG2 4.07Å; V14-V45 HydrophobicContact CG1-CB 4.5Å; V14-V45 HydrophobicContact CG1-CG2 4.07Å; V14-V45 HydrophobicContact CG2-CB 3.94Å; V14-V45 HydrophobicContact CG2-CG2 4.37Å; V18-V45 HydrophobicContact CB-CG2 4.32Å; V18-V45 HydrophobicContact CG2-CG2 4.04Å; L40-V45 HydrophobicContact CD2-CG1 4.25Å; V43-V45 HydrophobicContact CG1-CB 4.01Å; V43-V45 HydrophobicContact CG1-CG1 4.04Å; V45-L47 HydrophobicContact CG1-CD2 3.92Å; V45-L47 HydrophobicContact CG1-CG 4.16Å; V45-L47 HydrophobicContact CG2-CD2 4.3Å; V45-L47 PolarHBondContact O-N 3.38Å
46D98.5Very high98.4Very high82 Ų8242.7 Ų42.744%0.43921%0.208SC..  trans-74109.5170.817711.2000109.6P17 V18 K48P17-D46 CarbonylContact C-O 3.59Å; P17-D46 WeakPolarHBondContact CA-O 3.37Å; P17-D46 HydrophobicContact CB-CB 4.06Å; P17-D46 WeakPolarHBondContact CB-O 3.41Å; V18-D46 PolarHBondContact N-O 2.87Å; D46-K48 IonicContact OD1-NZ 3.23Å; D46-K48 PolarHBondContact OD1-NZ 3.22Å; D46-K48 WeakPolarHBondContact OD2-CE 3.36Å; D46-K48 IonicContact OD2-NZ 2.73Å; D46-K48 PolarHBondContact OD2-NZ 2.84Å
47L98.8Very high98.4Very high30 Ų3038.5 Ų38.516%0.15719%0.188CC..EExtended strand (participates in β ladder)trans-93.4119.4177.6-62.8175.6000110.3V18 E20 K35 L40 V45 Y49 W343V18-L47 HydrophobicContact CB-CD2 4.15Å; V18-L47 WeakPolarHBondContact O-CA 3.17Å; E20-L47 HydrophobicContact CB-CB 4.48Å; E20-L47 WeakPolarHBondContact OE2-CD1 3.48Å; K35-L47 HydrophobicContact CD-CD1 4.42Å; L40-L47 HydrophobicContact CD2-CD1 4.03Å; V45-L47 HydrophobicContact CG1-CD2 3.92Å; V45-L47 HydrophobicContact CG1-CG 4.16Å; V45-L47 HydrophobicContact CG2-CD2 4.3Å; V45-L47 PolarHBondContact O-N 3.38Å; L47-Y49 PolarHBondContact O-N 3.5Å; L47-W343 HydrophobicContact CD1-CH2 3.87Å; L47-W343 HydrophobicContact CD1-CZ3 4.31Å; L47-W343 HydrophobicContact CD2-CH2 4.1Å; L47-W343 HydrophobicContact CD2-CZ3 3.94Å
48K98.8Very high98.4Very high57 Ų5734.8 Ų34.825%0.24817%0.173CC..EExtended strand (participates in β ladder)trans-83.390.9166.7-57.5-55.6174.4-148.10108P17 V18 V19 E20 D46 Y50 Y75P17-K48 HydrophobicContact CB-CG 3.97Å; P17-K48 HydrophobicContact CG-CG 4.45Å; V18-K48 PolarHBondContact O-N 2.87Å; V19-K48 WeakPolarHBondContact CA-O 3.5Å; V19-K48 HydrophobicContact CG2-CB 4.27Å; E20-K48 PolarHBondContact N-O 2.89Å; D46-K48 IonicContact OD1-NZ 3.23Å; D46-K48 PolarHBondContact OD1-NZ 3.22Å; D46-K48 WeakPolarHBondContact OD2-CE 3.36Å; D46-K48 IonicContact OD2-NZ 2.73Å; D46-K48 PolarHBondContact OD2-NZ 2.84Å; K48-Y50 HydrophobicContact CB-CE2 4Å; K48-Y50 VanDerWaalsContact O-CD2 3.24Å; K48-Y50 WeakPolarHBondContact O-CD2 3.4Å; K48-Y75 HydrophobicContact CD-CE2 4.42Å; K48-Y75 HydrophobicContact CG-CD2 4Å; K48-Y75 HydrophobicContact CG-CE2 3.78Å
49Y98.8Very high98.4Very high100 Ų10041.1 Ų41.139%0.39220%0.203SC..EExtended strand (participates in β ladder)trans-77.5131.8-174.8-178.6-99.5000112.5E20 D22 L47 D51E20-Y49 HydrophobicContact CB-CD2 4.48Å; E20-Y49 HydrophobicContact CG-CD2 4.28Å; E20-Y49 WeakPolarHBondContact OE2-CD2 3.46Å; D22-Y49 HydrophobicContact CB-CE2 3.71Å; D22-Y49 WeakPolarHBondContact CB-OH 3.25Å; D22-Y49 PolarHBondContact OD2-OH 3.41Å; L47-Y49 PolarHBondContact O-N 3.5Å; Y49-D51 HydrophobicContact CE1-CB 3.95Å
50Y98.9Very high98.4Very high58 Ų5842.9 Ų42.923%0.22721%0.213CC..EExtended strand (participates in β ladder)trans-133.4120.1171.9-65.6-93.4000108.8V19 E20 M21 D22 K48 L52 V64 D67 A71V19-Y50 HydrophobicContact CG1-CD2 3.77Å; V19-Y50 HydrophobicContact CG1-CE2 4Å; E20-Y50 PolarHBondContact O-N 2.96Å; M21-Y50 WeakPolarHBondContact CA-O 3.44Å; D22-Y50 PolarHBondContact N-O 3.28Å; K48-Y50 HydrophobicContact CB-CE2 4Å; K48-Y50 VanDerWaalsContact O-CD2 3.24Å; K48-Y50 WeakPolarHBondContact O-CD2 3.4Å; Y50-L52 PolarHBondContact O-N 3Å; Y50-V64 HydrophobicContact CD1-CG2 4.17Å; Y50-D67 HydrophobicContact CD1-CB 4.35Å; Y50-D67 HydrophobicContact CE1-CB 3.9Å; Y50-A71 HydrophobicContact CE2-CB 3.6Å; Y50-A71 VanDerWaalsContact OH-CB 3.24Å; Y50-A71 WeakPolarHBondContact OH-CB 3.4Å
51D98.8Very high98.4Very high32 Ų3245 Ų4517%0.17123%0.225CC..EExtended strand (participates in β ladder)trans-80.4103176.4-169.1-10.2000110R28 Y49 G53 Y56R28-D51 IonicContact CZ-OD1 2.98Å; R28-D51 IonicContact CZ-OD2 3.82Å; R28-D51 IonicContact NH1-OD1 2.77Å; R28-D51 PolarHBondContact NH1-OD1 3.06Å; R28-D51 IonicContact NH1-OD2 2.86Å; R28-D51 IonicContact NH2-OD1 2.85Å; R28-D51 PolarHBondContact NH2-OD1 3.42Å; R28-D51 IonicContact NH2-OD2 2.69Å; R28-D51 PolarHBondContact NH2-OD2 3.46Å; Y49-D51 HydrophobicContact CE1-CB 3.95Å; D51-G53 VanDerWaalsContact C-N 3.27Å; D51-G53 WeakPolarHBondContact OD1-CA 3.36Å; D51-G53 PolarHBondContact OD1-N 3.15Å; D51-Y56 HydrophobicContact CB-CD1 3.93Å; D51-Y56 HydrophobicContact CB-CG 4.21Å; D51-Y56 VanDerWaalsContact O-CD1 3.26Å; D51-Y56 WeakPolarHBondContact O-CD1 3.43Å
52L98.8Very high98.4Very high0 Ų043 Ų430%021%0.212CC..  trans-9315.7173.1-50.1-171.1000112.6M21 D22 Y50 L54 R57 V64 T83 I107M21-L52 HydrophobicContact CB-CD1 3.76Å; M21-L52 HydrophobicContact CB-CG 4.06Å; M21-L52 HydrophobicContact CG-CD1 3.96Å; M21-L52 HydrophobicContact CG-CG 4.44Å; M21-L52 HydrophobicContact SD-CD1 3.74Å; D22-L52 WeakPolarHBondContact O-CA 3.43Å; D22-L52 VanDerWaalsContact O-CB 3.24Å; D22-L52 WeakPolarHBondContact O-CB 3.38Å; D22-L52 PolarHBondContact O-N 3.13Å; D22-L52 VanDerWaalsContact O-N 3.14Å; Y50-L52 PolarHBondContact O-N 3Å; L52-L54 PolarHBondContact O-N 3.33Å; L52-R57 WeakPolarHBondContact O-CD 3.42Å; L52-R57 PolarHBondContact O-NE 2.92Å; L52-V64 HydrophobicContact CD2-CB 4.32Å; L52-V64 HydrophobicContact CD2-CG1 3.84Å; L52-V64 HydrophobicContact CD2-CG2 3.9Å; L52-T83 HydrophobicContact CB-CG2 3.74Å; L52-I107 HydrophobicContact CD1-CD1 3.98Å
53G98.5Very high98.5Very high1 Ų146.9 Ų46.91%0.0123%0.23CC..  trans-54.3137.616800000110.8D24 D51 P55 Y56 R57D24-G53 VanDerWaalsContact OD1-CA 3.22Å; D24-G53 WeakPolarHBondContact OD1-CA 3.39Å; D51-G53 VanDerWaalsContact C-N 3.27Å; D51-G53 WeakPolarHBondContact OD1-CA 3.36Å; D51-G53 PolarHBondContact OD1-N 3.15Å; G53-P55 VanDerWaalsContact C-CD 3.42Å; G53-P55 VanDerWaalsContact C-N 3.31Å; G53-Y56 PolarHBondContact O-N 2.82Å; G53-R57 PolarHBondContact O-N 3.3Å
54L98.3Very high98.5Very high0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-51.4-41.6-175.9179.962.2000113.5D24 L52 Y56 R57 D58 I84 P86 F94 L96D24-L54 PolarHBondContact OD1-N 3.03Å; D24-L54 PolarHBondContact OD2-N 2.88Å; L52-L54 PolarHBondContact O-N 3.33Å; L54-Y56 PolarHBondContact O-N 3.48Å; L54-R57 PolarHBondContact O-N 3.25Å; L54-D58 PolarHBondContact O-N 3.43Å; L54-I84 HydrophobicContact CB-CB 4.44Å; L54-I84 HydrophobicContact CB-CD1 4.42Å; L54-I84 HydrophobicContact CD2-CB 4.12Å; L54-I84 HydrophobicContact CD2-CD1 4.02Å; L54-I84 HydrophobicContact CD2-CG2 3.86Å; L54-P86 HydrophobicContact CD1-CB 4.39Å; L54-P86 HydrophobicContact CD1-CG 4.23Å; L54-F94 HydrophobicContact CD2-CB 4.2Å; L54-F94 HydrophobicContact CD2-CD1 4.01Å; L54-F94 HydrophobicContact CD2-CD2 3.55Å; L54-F94 HydrophobicContact CD2-CE1 4.26Å; L54-F94 HydrophobicContact CD2-CE2 3.83Å; L54-F94 HydrophobicContact CD2-CG 3.66Å; L54-F94 HydrophobicContact CD2-CZ 4.18Å; L54-F94 HydrophobicContact CG-CD1 4.4Å; L54-F94 HydrophobicContact CG-CG 4.36Å; L54-L96 HydrophobicContact CD1-CD1 3.98Å; L54-L96 HydrophobicContact CD1-CD2 4.03Å; L54-L96 HydrophobicContact CD2-CD1 4.23Å; L54-L96 HydrophobicContact CD2-CD2 4.32Å; L54-L96 HydrophobicContact CG-CD1 4.43Å; L54-L96 HydrophobicContact CG-CD2 3.98Å
55P98.3Very high98.5Very high81 Ų8144.8 Ų44.853%0.52622%0.219SC..Hα-helixtrans-60.2-42.2175.7-24.935.5000113.6G53 D58 Q59 F94G53-P55 VanDerWaalsContact C-CD 3.42Å; G53-P55 VanDerWaalsContact C-N 3.31Å; P55-D58 PolarHBondContact O-N 3.45Å; P55-Q59 WeakPolarHBondContact O-CB 3.35Å; P55-Q59 PolarHBondContact O-N 3.35Å; P55-F94 HydrophobicContact CG-CD1 4.23Å; P55-F94 HydrophobicContact CG-CE1 4.29Å
56Y98.6Very high98.5Very high94 Ų9447 Ų4737%0.36923%0.23SC..Hα-helixtrans-76.7-32.2-178.4-165.9-106.7000112.2D51 G53 L54 Q59 T60 V64D51-Y56 HydrophobicContact CB-CD1 3.93Å; D51-Y56 HydrophobicContact CB-CG 4.21Å; D51-Y56 VanDerWaalsContact O-CD1 3.26Å; D51-Y56 WeakPolarHBondContact O-CD1 3.43Å; G53-Y56 PolarHBondContact O-N 2.82Å; L54-Y56 PolarHBondContact O-N 3.48Å; Y56-Q59 PolarHBondContact O-N 2.95Å; Y56-T60 HydrophobicContact CD1-CG2 4.03Å; Y56-T60 HydrophobicContact CD2-CG2 4.46Å; Y56-T60 HydrophobicContact CE1-CG2 3.64Å; Y56-T60 HydrophobicContact CE2-CG2 4.08Å; Y56-T60 HydrophobicContact CG-CG2 4.45Å; Y56-T60 WeakPolarHBondContact O-CB 3.28Å; Y56-T60 WeakPolarHBondContact O-CG2 3.44Å; Y56-T60 PolarHBondContact O-N 2.92Å; Y56-T60 PolarHBondContact O-OG1 2.79Å; Y56-V64 HydrophobicContact CD1-CB 4.11Å; Y56-V64 HydrophobicContact CD1-CG1 4.05Å; Y56-V64 HydrophobicContact CD1-CG2 3.96Å; Y56-V64 HydrophobicContact CE1-CB 4.03Å; Y56-V64 HydrophobicContact CE1-CG1 4.47Å; Y56-V64 HydrophobicContact CE1-CG2 3.79Å
57R98.6Very high98.5Very high0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-60.5-46168.1-74.9-171.4-67.8122.1-0.6111.5D24 L52 G53 L54 T60 D61 D62 V64 T65 I84D24-R57 IonicContact OD2-NH2 3.98Å; L52-R57 WeakPolarHBondContact O-CD 3.42Å; L52-R57 PolarHBondContact O-NE 2.92Å; G53-R57 PolarHBondContact O-N 3.3Å; L54-R57 PolarHBondContact O-N 3.25Å; R57-T60 PolarHBondContact O-N 3.45Å; R57-T60 PolarHBondContact O-OG1 3.03Å; R57-D61 PolarHBondContact O-N 3.49Å; R57-D61 VanDerWaalsContact O-N 3.15Å; R57-D62 WeakPolarHBondContact CD-OD1 3.45Å; R57-D62 PolarHBondContact O-N 2.9Å; R57-V64 HydrophobicContact CB-CG1 4.47Å; R57-V64 HydrophobicContact CG-CG1 3.68Å; R57-T65 VanDerWaalsContact CD-OG1 3.24Å; R57-T65 WeakPolarHBondContact CD-OG1 3.31Å; R57-I84 PolarHBondContact NH2-O 3.1Å
58D98.5Very high98.5Very high22 Ų2244.7 Ų44.712%0.11822%0.218CC..Hα-helixtrans-63.4-42.8175.9-170.879.4000112.3L54 P55 T60 D61 L96 K97 W100L54-D58 PolarHBondContact O-N 3.43Å; P55-D58 PolarHBondContact O-N 3.45Å; D58-T60 VanDerWaalsContact C-N 3.31Å; D58-T60 PolarHBondContact O-N 3.47Å; D58-D61 PolarHBondContact O-N 3.39Å; D58-L96 HydrophobicContact CB-CD2 3.85Å; D58-L96 WeakPolarHBondContact OD1-CA 3.46Å; D58-K97 WeakPolarHBondContact O-CE 3.46Å; D58-K97 PolarHBondContact O-NZ 2.86Å; D58-K97 PolarHBondContact OD1-N 3.13Å; D58-W100 PolarHBondContact OD1-NE1 3.04Å
59Q98.6Very high98.5Very high134 Ų13442 Ų4263%0.62621%0.206SC*.Hα-helixtrans-57.5-42.7176.6-176.1-179.7-100112.3P55 Y56 D61 K97P55-Q59 WeakPolarHBondContact O-CB 3.35Å; P55-Q59 PolarHBondContact O-N 3.35Å; Y56-Q59 PolarHBondContact O-N 2.95Å; Q59-D61 VanDerWaalsContact C-N 3.34Å; Q59-K97 PolarHBondContact O-NZ 3.42Å
60T98.5Very high98.5Very high36 Ų3641.5 Ų41.522%0.22121%0.21CC..THydrogen-bonded Turntrans-91.810-176.259.30000114.1Y56 R57 D58 D62 Q63 V64Y56-T60 HydrophobicContact CD1-CG2 4.03Å; Y56-T60 HydrophobicContact CD2-CG2 4.46Å; Y56-T60 HydrophobicContact CE1-CG2 3.64Å; Y56-T60 HydrophobicContact CE2-CG2 4.08Å; Y56-T60 HydrophobicContact CG-CG2 4.45Å; Y56-T60 WeakPolarHBondContact O-CB 3.28Å; Y56-T60 WeakPolarHBondContact O-CG2 3.44Å; Y56-T60 PolarHBondContact O-N 2.92Å; Y56-T60 PolarHBondContact O-OG1 2.79Å; R57-T60 PolarHBondContact O-N 3.45Å; R57-T60 PolarHBondContact O-OG1 3.03Å; D58-T60 VanDerWaalsContact C-N 3.31Å; D58-T60 PolarHBondContact O-N 3.47Å; T60-D62 PolarHBondContact O-N 3.31Å; T60-Q63 WeakPolarHBondContact O-CB 3.3Å; T60-Q63 PolarHBondContact O-N 2.95Å; T60-V64 WeakPolarHBondContact OG1-CG1 3.44Å
61D98.1Very high98.4Very high88 Ų8839.1 Ų39.147%0.47120%0.202SC..THydrogen-bonded Turntrans53.337.8-175.1-61.9-49.2000113.5R57 D58 Q59 Q63 K97 W100R57-D61 PolarHBondContact O-N 3.49Å; R57-D61 VanDerWaalsContact O-N 3.15Å; D58-D61 PolarHBondContact O-N 3.39Å; Q59-D61 VanDerWaalsContact C-N 3.34Å; D61-Q63 PolarHBondContact O-N 3.31Å; D61-K97 VanDerWaalsContact OD1-CD 3.29Å; D61-K97 WeakPolarHBondContact OD1-CD 3.49Å; D61-K97 IonicContact OD1-NZ 3.06Å; D61-K97 PolarHBondContact OD1-NZ 3.35Å; D61-K97 IonicContact OD2-NZ 2.87Å; D61-W100 VanDerWaalsContact C-CH2 3.44Å; D61-W100 VanDerWaalsContact C-CZ3 3.46Å; D61-W100 HydrophobicContact CB-CH2 3.63Å; D61-W100 HydrophobicContact CB-CZ2 4.35Å; D61-W100 HydrophobicContact CB-CZ3 4.34Å; D61-W100 VanDerWaalsContact O-CZ3 3.31Å; D61-W100 WeakPolarHBondContact O-CZ3 3.22Å
62D97.1Very high98.4Very high15 Ų1537.6 Ų37.68%0.0819%0.194CC..THydrogen-bonded Turntrans65.211.4-176.9-157.640.4000114.7R57 T60 V64 T65 W100R57-D62 WeakPolarHBondContact CD-OD1 3.45Å; R57-D62 PolarHBondContact O-N 2.9Å; T60-D62 PolarHBondContact O-N 3.31Å; D62-V64 VanDerWaalsContact C-N 3.32Å; D62-V64 PolarHBondContact O-N 3.26Å; D62-T65 WeakPolarHBondContact O-CB 3.16Å; D62-T65 PolarHBondContact O-N 3.14Å; D62-T65 WeakPolarHBondContact OD1-CB 3.39Å; D62-T65 PolarHBondContact OD1-OG1 3.35Å; D62-W100 HydrophobicContact CB-CD2 4.07Å; D62-W100 HydrophobicContact CB-CE3 3.52Å; D62-W100 HydrophobicContact CB-CZ3 3.87Å
63Q98.6Very high98.3Very high88 Ų8842.5 Ų42.541%0.41122%0.215SC..Hα-helixtrans-64.5-35.4178.8-172.558.749.400112.3T60 D61 T65 I66 D67T60-Q63 WeakPolarHBondContact O-CB 3.3Å; T60-Q63 PolarHBondContact O-N 2.95Å; D61-Q63 PolarHBondContact O-N 3.31Å; Q63-T65 PolarHBondContact O-N 2.81Å; Q63-I66 WeakPolarHBondContact O-CB 3.36Å; Q63-I66 PolarHBondContact O-N 2.89Å; Q63-D67 PolarHBondContact NE2-OD1 2.95Å; Q63-D67 PolarHBondContact O-N 3.45Å
64V98.8Very high98.3Very high9 Ų949.2 Ų49.26%0.05524%0.244CC..Hα-helixtrans-57.7-32.6177.567.50000112.5Y50 L52 Y56 R57 T60 D62 S68Y50-V64 HydrophobicContact CD1-CG2 4.17Å; L52-V64 HydrophobicContact CD2-CB 4.32Å; L52-V64 HydrophobicContact CD2-CG1 3.84Å; L52-V64 HydrophobicContact CD2-CG2 3.9Å; Y56-V64 HydrophobicContact CD1-CB 4.11Å; Y56-V64 HydrophobicContact CD1-CG1 4.05Å; Y56-V64 HydrophobicContact CD1-CG2 3.96Å; Y56-V64 HydrophobicContact CE1-CB 4.03Å; Y56-V64 HydrophobicContact CE1-CG1 4.47Å; Y56-V64 HydrophobicContact CE1-CG2 3.79Å; R57-V64 HydrophobicContact CB-CG1 4.47Å; R57-V64 HydrophobicContact CG-CG1 3.68Å; T60-V64 WeakPolarHBondContact OG1-CG1 3.44Å; D62-V64 VanDerWaalsContact C-N 3.32Å; D62-V64 PolarHBondContact O-N 3.26Å; V64-S68 WeakPolarHBondContact O-CB 3.37Å; V64-S68 PolarHBondContact O-N 3.44Å; V64-S68 PolarHBondContact O-OG 2.72Å
65T98.5Very high98.3Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-67.3-38.5176.6-57.40000111.6R57 D62 Q63 S68 A69 P103 T106 I107R57-T65 VanDerWaalsContact CD-OG1 3.24Å; R57-T65 WeakPolarHBondContact CD-OG1 3.31Å; D62-T65 WeakPolarHBondContact O-CB 3.16Å; D62-T65 PolarHBondContact O-N 3.14Å; D62-T65 WeakPolarHBondContact OD1-CB 3.39Å; D62-T65 PolarHBondContact OD1-OG1 3.35Å; Q63-T65 PolarHBondContact O-N 2.81Å; T65-S68 PolarHBondContact O-OG 2.89Å; T65-S68 VanDerWaalsContact O-OG 3.06Å; T65-A69 PolarHBondContact O-N 3.37Å; T65-P103 HydrophobicContact CG2-CB 3.85Å; T65-T106 HydrophobicContact CG2-CG2 3.82Å; T65-I107 HydrophobicContact CG2-CD1 4.49Å; T65-I107 HydrophobicContact CG2-CG1 4.22Å
66I98.3Very high98.3Very high59 Ų5949.8 Ų49.830%0.30324%0.239SC..Hα-helixtrans-71.6-46.1177.2-62.6171.3000109.8Q63 S68 A69 L70 T106 I110Q63-I66 WeakPolarHBondContact O-CB 3.36Å; Q63-I66 PolarHBondContact O-N 2.89Å; I66-S68 VanDerWaalsContact C-N 3.31Å; I66-S68 PolarHBondContact O-N 3.5Å; I66-A69 WeakPolarHBondContact O-CB 3.26Å; I66-A69 PolarHBondContact O-N 3Å; I66-L70 HydrophobicContact CG2-CD1 4.08Å; I66-L70 HydrophobicContact CG2-CG 4.43Å; I66-L70 WeakPolarHBondContact O-CG 3.49Å; I66-L70 PolarHBondContact O-N 3.4Å; I66-T106 HydrophobicContact CG1-CG2 4.02Å; I66-I110 HydrophobicContact CB-CD1 4.27Å; I66-I110 HydrophobicContact CG1-CD1 4.28Å; I66-I110 HydrophobicContact CG2-CD1 3.99Å
67D98.8Very high98.3Very high65 Ų6545.3 Ų45.335%0.34822%0.222SC..Hα-helixtrans-62.5-39.5-177.6-66.5-12.8000111.8Y50 Q63 L70 A71Y50-D67 HydrophobicContact CD1-CB 4.35Å; Y50-D67 HydrophobicContact CE1-CB 3.9Å; Q63-D67 PolarHBondContact NE2-OD1 2.95Å; Q63-D67 PolarHBondContact O-N 3.45Å; D67-L70 PolarHBondContact O-N 2.82Å; D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 3.15Å
68S98.8Very high98.4Very high0 Ų045.3 Ų45.30%022%0.222CC..Hα-helixtrans-65.8-38.2176.877.20000112M21 V64 T65 I66 A71 T72M21-S68 WeakPolarHBondContact CE-O 3.22Å; M21-S68 WeakPolarHBondContact CE-OG 3.27Å; V64-S68 WeakPolarHBondContact O-CB 3.37Å; V64-S68 PolarHBondContact O-N 3.44Å; V64-S68 PolarHBondContact O-OG 2.72Å; T65-S68 PolarHBondContact O-OG 2.89Å; T65-S68 VanDerWaalsContact O-OG 3.06Å; I66-S68 VanDerWaalsContact C-N 3.31Å; I66-S68 PolarHBondContact O-N 3.5Å; S68-A71 PolarHBondContact O-N 3.25Å; S68-T72 WeakPolarHBondContact O-CB 3.42Å; S68-T72 PolarHBondContact O-N 2.86Å; S68-T72 PolarHBondContact O-OG1 3.36Å
69A98Very high98.4Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-66.5-41.4174.800000112T65 I66 T72 K73 I107 I110 L111T65-A69 PolarHBondContact O-N 3.37Å; I66-A69 WeakPolarHBondContact O-CB 3.26Å; I66-A69 PolarHBondContact O-N 3Å; A69-T72 WeakPolarHBondContact O-CB 3.47Å; A69-T72 PolarHBondContact O-N 3.4Å; A69-K73 PolarHBondContact O-N 2.77Å; A69-I107 HydrophobicContact CB-CB 4.34Å; A69-I107 HydrophobicContact CB-CG1 4.09Å; A69-I107 HydrophobicContact CB-CG2 4.27Å; A69-I110 HydrophobicContact CB-CB 3.88Å; A69-I110 HydrophobicContact CB-CD1 3.68Å; A69-I110 HydrophobicContact CB-CG1 4.39Å; A69-I110 HydrophobicContact CB-CG2 3.76Å; A69-L111 WeakPolarHBondContact O-CD2 3.49Å
70L98.5Very high98.4Very high90 Ų9038 Ų3847%0.47119%0.186SC..Hα-helixtrans-66.3-39.1175.4-66.9176.3000111.9I66 D67 T72 K73 K74 I110I66-L70 HydrophobicContact CG2-CD1 4.08Å; I66-L70 HydrophobicContact CG2-CG 4.43Å; I66-L70 WeakPolarHBondContact O-CG 3.49Å; I66-L70 PolarHBondContact O-N 3.4Å; D67-L70 PolarHBondContact O-N 2.82Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.26Å; L70-K73 PolarHBondContact O-N 2.96Å; L70-K74 PolarHBondContact O-N 2.95Å; L70-K74 VanDerWaalsContact O-N 3.12Å; L70-I110 HydrophobicContact CD2-CG2 4.1Å
71A98.7Very high98.4Very high7 Ų736.3 Ų36.36%0.05818%0.176CC..Hα-helixtrans-61.9-38.517200000111.4V19 Y50 D67 S68 K73 K74 Y75V19-A71 HydrophobicContact CG2-CB 3.93Å; Y50-A71 HydrophobicContact CE2-CB 3.6Å; Y50-A71 VanDerWaalsContact OH-CB 3.24Å; Y50-A71 WeakPolarHBondContact OH-CB 3.4Å; D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 3.15Å; S68-A71 PolarHBondContact O-N 3.25Å; A71-K73 PolarHBondContact O-N 3.03Å; A71-K74 WeakPolarHBondContact O-CB 3.43Å; A71-K74 PolarHBondContact O-N 3.42Å; A71-K74 VanDerWaalsContact O-N 3.08Å; A71-Y75 HydrophobicContact CB-CD2 4.3Å; A71-Y75 WeakPolarHBondContact O-CD2 3.18Å; A71-Y75 PolarHBondContact O-N 2.8Å
72T98.6Very high98.3Very high0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-63.5-42.2176.7-55.40000111.2M21 S68 A69 L70 K74 Y75 N76 A78 L111 T309M21-T72 WeakPolarHBondContact CE-OG1 3.24Å; S68-T72 WeakPolarHBondContact O-CB 3.42Å; S68-T72 PolarHBondContact O-N 2.86Å; S68-T72 PolarHBondContact O-OG1 3.36Å; A69-T72 WeakPolarHBondContact O-CB 3.47Å; A69-T72 PolarHBondContact O-N 3.4Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 3.26Å; T72-K74 VanDerWaalsContact C-N 3.25Å; T72-K74 PolarHBondContact O-N 2.97Å; T72-Y75 PolarHBondContact O-N 3.41Å; T72-N76 WeakPolarHBondContact O-CA 3.4Å; T72-N76 PolarHBondContact O-N 3.34Å; T72-A78 HydrophobicContact CG2-CB 3.59Å; T72-A78 WeakPolarHBondContact OG1-CB 3.43Å; T72-L111 HydrophobicContact CG2-CD1 3.82Å; T72-L111 HydrophobicContact CG2-CD2 4.11Å; T72-T309 HydrophobicContact CG2-CG2 4.13Å
73K96.8Very high98.3Very high104 Ų10432.4 Ų32.445%0.45216%0.157SC..Hα-helixtrans-58.5-38171.1-70.7-164.8169.6-1790112.9A69 L70 A71 I110 L111A69-K73 PolarHBondContact O-N 2.77Å; L70-K73 PolarHBondContact O-N 2.96Å; A71-K73 PolarHBondContact O-N 3.03Å; K73-I110 HydrophobicContact CD-CG2 4.45Å; K73-I110 WeakPolarHBondContact CE-O 3.27Å; K73-I110 PolarHBondContact NZ-O 3.39Å; K73-L111 HydrophobicContact CD-CD2 4.48Å; K73-L111 HydrophobicContact CG-CD2 3.46Å; K73-L111 VanDerWaalsContact CG-CD2 3.46Å
74K98.3Very high98.2Very high141 Ų14128.5 Ų28.561%0.61314%0.139SC*.Hα-helixtrans-71.5-41.9-178.9-177.3179177.8-173.20112.3L70 A71 T72L70-K74 PolarHBondContact O-N 2.95Å; L70-K74 VanDerWaalsContact O-N 3.12Å; A71-K74 WeakPolarHBondContact O-CB 3.43Å; A71-K74 PolarHBondContact O-N 3.42Å; A71-K74 VanDerWaalsContact O-N 3.08Å; T72-K74 VanDerWaalsContact C-N 3.25Å; T72-K74 PolarHBondContact O-N 2.97Å
75Y98.4Very high97.9Very high52 Ų5231.6 Ų31.620%0.20416%0.158CC..Hα-helixtrans-103.5-5.8-171.3-60.7-61.4000114P17 V19 K48 A71 T72 V77 R350P17-Y75 HydrophobicContact CB-CD1 4.48Å; P17-Y75 HydrophobicContact CG-CD1 3.22Å; P17-Y75 HydrophobicContact CG-CD2 4.49Å; P17-Y75 HydrophobicContact CG-CE1 3.52Å; P17-Y75 HydrophobicContact CG-CG 3.75Å; V19-Y75 HydrophobicContact CG2-CD2 4.01Å; K48-Y75 HydrophobicContact CD-CE2 4.42Å; K48-Y75 HydrophobicContact CG-CD2 4Å; K48-Y75 HydrophobicContact CG-CE2 3.78Å; A71-Y75 HydrophobicContact CB-CD2 4.3Å; A71-Y75 WeakPolarHBondContact O-CD2 3.18Å; A71-Y75 PolarHBondContact O-N 2.8Å; T72-Y75 PolarHBondContact O-N 3.41Å; Y75-V77 PolarHBondContact O-N 3.02Å; Y75-V77 VanDerWaalsContact O-N 3.13Å; Y75-R350 PolarHBondContact O-NH1 3.44Å
76N98.3Very high97.5Very high42 Ų4231.9 Ų31.923%0.22516%0.16CC..SBendtrans68.2-10.2175.8-50.5-88.8000116T72 T309 I310 L353T72-N76 WeakPolarHBondContact O-CA 3.4Å; T72-N76 PolarHBondContact O-N 3.34Å; N76-T309 CarbonylContact O-C 3.57Å; N76-T309 VanDerWaalsContact O-CA 3.3Å; N76-T309 WeakPolarHBondContact O-CA 3.34Å; N76-T309 PolarHBondContact OD1-OG1 2.97Å; N76-I310 PolarHBondContact O-N 3.4Å; N76-L353 HydrophobicContact CB-CD1 3.9Å
77V98.6Very high96.9Very high0 Ų032.6 Ų32.60%017%0.165CC..EExtended strand (participates in β ladder)trans-135.2123.7-175.2-1690000110V18 V19 Y75 I310 G346 R350 L353V18-V77 HydrophobicContact CG1-CG1 4.11Å; V18-V77 HydrophobicContact CG2-CB 4.44Å; V18-V77 HydrophobicContact CG2-CG1 4.29Å; V19-V77 WeakPolarHBondContact CB-O 3.44Å; V19-V77 PolarHBondContact N-O 3.02Å; Y75-V77 PolarHBondContact O-N 3.02Å; Y75-V77 VanDerWaalsContact O-N 3.13Å; V77-I310 HydrophobicContact CG1-CG1 4.35Å; V77-G346 VanDerWaalsContact CG1-O 3.27Å; V77-G346 WeakPolarHBondContact CG1-O 3.29Å; V77-R350 HydrophobicContact CG2-CB 4.24Å; V77-L353 HydrophobicContact CG2-CD1 4.01Å
78A98.8Very high96.4Very high0 Ų036.4 Ų36.40%018%0.18CC..EExtended strand (participates in β ladder)trans-123144.2167.300000112.4V19 M21 T72 I310 E311 A312V19-A78 HydrophobicContact CB-CB 4.01Å; V19-A78 HydrophobicContact CG1-CB 4.31Å; V19-A78 CarbonylContact O-C 3.6Å; V19-A78 VanDerWaalsContact O-CA 3.28Å; V19-A78 WeakPolarHBondContact O-CA 3.36Å; M21-A78 HydrophobicContact CE-CB 3.9Å; T72-A78 HydrophobicContact CG2-CB 3.59Å; T72-A78 WeakPolarHBondContact OG1-CB 3.43Å; A78-I310 PolarHBondContact N-O 2.98Å; A78-E311 HydrophobicContact CB-CB 4.06Å; A78-E311 HydrophobicContact CB-CG 3.94Å; A78-E311 WeakPolarHBondContact O-CA 3.36Å; A78-A312 PolarHBondContact O-N 2.81Å
79V98.8Very high96.1Very high0 Ų039.4 Ų39.40%021%0.205CC..EExtended strand (participates in β ladder)trans-118.3127.6166.6-63.40000107.8V18 V19 E20 M21 W31 A312 A342 W343V18-V79 HydrophobicContact CG1-CG1 4.15Å; V18-V79 HydrophobicContact CG1-CG2 4.02Å; V19-V79 PolarHBondContact O-N 3.3Å; E20-V79 HydrophobicContact CB-CG2 4.47Å; E20-V79 HydrophobicContact CG-CG2 4.49Å; M21-V79 PolarHBondContact N-O 3.27Å; W31-V79 HydrophobicContact CH2-CB 3.97Å; W31-V79 HydrophobicContact CH2-CG2 4.26Å; W31-V79 HydrophobicContact CZ2-CB 4.15Å; W31-V79 HydrophobicContact CZ2-CG2 3.93Å; V79-A312 WeakPolarHBondContact CA-O 3.44Å; V79-A342 WeakPolarHBondContact CG1-O 3.42Å; V79-W343 HydrophobicContact CG2-CD2 4.11Å; V79-W343 HydrophobicContact CG2-CE3 3.97Å; V79-W343 HydrophobicContact CG2-CH2 4.05Å; V79-W343 HydrophobicContact CG2-CZ2 4.18Å; V79-W343 HydrophobicContact CG2-CZ3 3.94Å
80K98.8Very high95.9Very high1 Ų140.7 Ų40.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-127.8129.2-169.1177.8175.6-177.2-61.60112.5M21 T83 N104 I107 E311 A312 E313M21-K80 HydrophobicContact CB-CB 3.98Å; M21-K80 HydrophobicContact CB-CG 3.87Å; M21-K80 HydrophobicContact SD-CB 4.24Å; M21-K80 HydrophobicContact SD-CD 3.9Å; M21-K80 HydrophobicContact SD-CG 4.17Å; K80-T83 PolarHBondContact NZ-OG1 3.5Å; K80-T83 VanDerWaalsContact NZ-OG1 3.11Å; K80-N104 WeakPolarHBondContact CE-OD1 3.5Å; K80-N104 PolarHBondContact NZ-OD1 2.75Å; K80-I107 HydrophobicContact CD-CD1 3.94Å; K80-E311 HydrophobicContact CB-CG 4.36Å; K80-E311 VanDerWaalsContact CB-OE1 3.23Å; K80-E311 WeakPolarHBondContact CB-OE1 3.35Å; K80-A312 PolarHBondContact N-O 3.14Å; K80-E313 HydrophobicContact CB-CB 4.28Å; K80-E313 IonicContact NZ-OE2 3.16Å
81C98.5Very high95.7Very high1 Ų138.3 Ų38.31%0.00720%0.199CC..  trans-77.3154.2168.8-172.10000110.8M21 T27 W31M21-C81 WeakPolarHBondContact O-CB 3.33Å; M21-C81 PolarHBondContact O-N 2.98Å; T27-C81 VanDerWaalsContact C-SG 3.55Å; W31-C81 HydrophobicContact CB-CB 4.41Å; W31-C81 HydrophobicContact CD2-CB 3.68Å; W31-C81 HydrophobicContact CE3-CB 3.93Å; W31-C81 HydrophobicContact CG-CB 3.91Å; W31-C81 HydrophobicContact CZ2-CB 4.44Å; W31-C81 HydrophobicContact CZ3-CB 4.42Å
82A96.5Very high95.6Very high9 Ų945.7 Ų45.77%0.07423%0.232CC..  trans-66.6141.7176.700000110.9G23 D24 T27 T318G23-A82 VanDerWaalsContact CA-O 3.29Å; G23-A82 WeakPolarHBondContact CA-O 3.46Å; D24-A82 PolarHBondContact N-O 2.62Å; T27-A82 HydrophobicContact CG2-CB 3.96Å; A82-T318 HydrophobicContact CB-CG2 3.97Å
83T97.7Very high95.5Very high13 Ų1349.7 Ų49.78%0.0825%0.251CS..  trans-126.7142.9-173.348.70000110.6D24 L52 K80 T85 P103D24-T83 WeakPolarHBondContact OD2-CA 3.42Å; L52-T83 HydrophobicContact CB-CG2 3.74Å; K80-T83 PolarHBondContact NZ-OG1 3.5Å; K80-T83 VanDerWaalsContact NZ-OG1 3.11Å; T83-T85 PolarHBondContact O-N 3.38Å; T83-P103 HydrophobicContact CG2-CG 4.48Å
84I96.7Very high95.5Very high6 Ų647.8 Ų47.83%0.03124%0.243CC..  trans-66.2130174.3-65.2166.2000109.5D24 E25 L54 R57 R90 F94 T318D24-I84 HydrophobicContact CB-CD1 3.88Å; D24-I84 HydrophobicContact CB-CG1 3.74Å; D24-I84 PolarHBondContact OD2-N 2.88Å; E25-I84 HydrophobicContact CG-CD1 3.9Å; E25-I84 HydrophobicContact CG-CG1 4.34Å; L54-I84 HydrophobicContact CB-CB 4.44Å; L54-I84 HydrophobicContact CB-CD1 4.42Å; L54-I84 HydrophobicContact CD2-CB 4.12Å; L54-I84 HydrophobicContact CD2-CD1 4.02Å; L54-I84 HydrophobicContact CD2-CG2 3.86Å; R57-I84 PolarHBondContact NH2-O 3.1Å; I84-R90 HydrophobicContact CG2-CG 3.97Å; I84-F94 HydrophobicContact CD1-CE2 4.01Å; I84-F94 HydrophobicContact CD1-CZ 3.84Å; I84-T318 HydrophobicContact CG1-CG2 4.14Å
85T91.3Very high95.5Very high73 Ų7346 Ų4645%0.44825%0.248SC..  trans-95.6113.1159.9-600000106.8T83 S102T83-T85 PolarHBondContact O-N 3.38Å; T85-S102 WeakPolarHBondContact OG1-CB 3.39Å; T85-S102 PolarHBondContact OG1-OG 2.85Å
86P91.2Very high95.4Very high7 Ų744.3 Ų44.35%0.04524%0.242CC..  trans-72.3136.9-170.728.7-34.5000112L54 R90 L96 M99 W100L54-P86 HydrophobicContact CD1-CB 4.39Å; L54-P86 HydrophobicContact CD1-CG 4.23Å; P86-R90 HydrophobicContact CB-CB 3.79Å; P86-L96 HydrophobicContact CB-CD1 3.49Å; P86-L96 VanDerWaalsContact CB-CD1 3.49Å; P86-L96 HydrophobicContact CG-CD1 4.01Å; P86-M99 WeakPolarHBondContact O-CG 3.4Å; P86-W100 WeakPolarHBondContact CD-O 3.49Å; P86-W100 HydrophobicContact CG-CB 4.08Å; P86-W100 WeakPolarHBondContact CG-O 3.39Å
87D85.1Confident95.3Very high74 Ų7447.8 Ų47.840%0.39626%0.255SS..  trans-106.4-172.9164.461.219.3000109.6A89 R90 V91D87-A89 VanDerWaalsContact C-N 3.27Å; D87-A89 PolarHBondContact O-N 3.5Å; D87-A89 WeakPolarHBondContact OD1-CB 3.14Å; D87-A89 PolarHBondContact OD1-N 3.42Å; D87-R90 PolarHBondContact O-N 3.42Å; D87-R90 VanDerWaalsContact O-N 3.15Å; D87-R90 WeakPolarHBondContact OD1-CG 3.39Å; D87-R90 PolarHBondContact OD1-N 3.09Å; D87-V91 WeakPolarHBondContact O-CG2 3.48Å; D87-V91 PolarHBondContact O-N 3Å
88E87.9Confident94.9Very high145 Ų14553 Ų5368%0.67828%0.278SS*.Hα-helixtrans-56.2-41179.1-66.380.5-179.100112.4V91 E92 M99E88-V91 PolarHBondContact O-N 3.18Å; E88-E92 PolarHBondContact O-N 3.43Å; E88-M99 HydrophobicContact CG-CE 3.82Å
89A93.1Very high94.5Very high63 Ų6357.4 Ų57.452%0.52130%0.3SS..Hα-helixtrans-68.5-36.2179.600000111.6D87 E92 E93D87-A89 VanDerWaalsContact C-N 3.27Å; D87-A89 PolarHBondContact O-N 3.5Å; D87-A89 WeakPolarHBondContact OD1-CB 3.14Å; D87-A89 PolarHBondContact OD1-N 3.42Å; A89-E92 PolarHBondContact O-N 3.06Å; A89-E93 WeakPolarHBondContact O-CB 3.48Å; A89-E93 PolarHBondContact O-N 3.4Å
90R94.4Very high94.3Very high27 Ų2758.2 Ų58.210%0.10230%0.303CS..Hα-helixtrans-71.2-32.8174.6-62.5-50.2-170.8144.413.6112.8E25 I84 P86 D87 E92 E93 F94 T320E25-R90 IonicContact OE1-CZ 3.66Å; E25-R90 VanDerWaalsContact OE1-CZ 3.29Å; E25-R90 IonicContact OE1-NH1 2.75Å; E25-R90 PolarHBondContact OE1-NH1 3.31Å; E25-R90 IonicContact OE1-NH2 3.59Å; E25-R90 PolarHBondContact OE1-NH2 2.82Å; E25-R90 IonicContact OE2-NH2 3.5Å; I84-R90 HydrophobicContact CG2-CG 3.97Å; P86-R90 HydrophobicContact CB-CB 3.79Å; D87-R90 PolarHBondContact O-N 3.42Å; D87-R90 VanDerWaalsContact O-N 3.15Å; D87-R90 WeakPolarHBondContact OD1-CG 3.39Å; D87-R90 PolarHBondContact OD1-N 3.09Å; R90-E92 VanDerWaalsContact C-N 3.3Å; R90-E93 VanDerWaalsContact CD-OE2 3.25Å; R90-E93 WeakPolarHBondContact CD-OE2 3.28Å; R90-E93 IonicContact CZ-OE2 3.52Å; R90-E93 IonicContact NE-OE2 3.96Å; R90-E93 IonicContact NH1-OE1 3.36Å; R90-E93 IonicContact NH1-OE2 2.75Å; R90-E93 PolarHBondContact NH1-OE2 2.95Å; R90-E93 PolarHBondContact O-N 2.93Å; R90-F94 PolarHBondContact O-N 2.79Å; R90-T320 PolarHBondContact NH2-OG1 2.93Å
91V93.3Very high93.7Very high40 Ų4066 Ų6624%0.24234%0.337CS..Hα-helixtrans-60.1-44.3172.4171.50000110.3D87 E88 S95 L96 M99D87-V91 WeakPolarHBondContact O-CG2 3.48Å; D87-V91 PolarHBondContact O-N 3Å; E88-V91 PolarHBondContact O-N 3.18Å; V91-S95 CarbonylContact O-C 3.58Å; V91-S95 VanDerWaalsContact O-CA 3.25Å; V91-S95 WeakPolarHBondContact O-CA 3.49Å; V91-S95 PolarHBondContact O-N 3.28Å; V91-L96 HydrophobicContact CB-CB 4.47Å; V91-L96 HydrophobicContact CG1-CB 4.32Å; V91-L96 HydrophobicContact CG2-CB 4.34Å; V91-L96 HydrophobicContact CG2-CD1 4.06Å; V91-L96 PolarHBondContact O-N 2.85Å; V91-M99 HydrophobicContact CG2-CB 3.95Å; V91-M99 HydrophobicContact CG2-CG 4.29Å
92E96.6Very high93.3Very high161 Ų16167.7 Ų67.775%0.75235%0.349SS*.Hα-helixtrans-67.1-51.2175-171.3179.5176.900111.9E88 A89 R90 F94 S95E88-E92 PolarHBondContact O-N 3.43Å; A89-E92 PolarHBondContact O-N 3.06Å; R90-E92 VanDerWaalsContact C-N 3.3Å; E92-F94 VanDerWaalsContact C-N 3.29Å; E92-F94 PolarHBondContact O-N 3.02Å; E92-S95 PolarHBondContact O-N 3.29Å
93E96.8Very high93.2Very high84 Ų8467.3 Ų67.339%0.39335%0.345SS..Hα-helixtrans-55.9-42.2-176.9-179.3-175-179.400112.6A89 R90 R324A89-E93 WeakPolarHBondContact O-CB 3.48Å; A89-E93 PolarHBondContact O-N 3.4Å; R90-E93 VanDerWaalsContact CD-OE2 3.25Å; R90-E93 WeakPolarHBondContact CD-OE2 3.28Å; R90-E93 IonicContact CZ-OE2 3.52Å; R90-E93 IonicContact NE-OE2 3.96Å; R90-E93 IonicContact NH1-OE1 3.36Å; R90-E93 IonicContact NH1-OE2 2.75Å; R90-E93 PolarHBondContact NH1-OE2 2.95Å; R90-E93 PolarHBondContact O-N 2.93Å; E93-R324 IonicContact OE1-CZ 3.18Å; E93-R324 IonicContact OE1-NH1 2.92Å; E93-R324 PolarHBondContact OE1-NH1 2.86Å; E93-R324 IonicContact OE1-NH2 3.74Å; E93-R324 PolarHBondContact OE1-NH2 3.48Å; E93-R324 IonicContact OE2-CZ 2.69Å; E93-R324 IonicContact OE2-NH2 3.77Å; E93-R324 PolarHBondContact OE2-NH2 3.27Å
94F96.8Very high92.8Very high65 Ų6568.2 Ų68.229%0.28535%0.35SS..Hα-helixtrans-102.21.8-176-71.2-96.6000113.5L54 P55 I84 R90 E92 L96L54-F94 HydrophobicContact CD2-CB 4.2Å; L54-F94 HydrophobicContact CD2-CD1 4.01Å; L54-F94 HydrophobicContact CD2-CD2 3.55Å; L54-F94 HydrophobicContact CD2-CE1 4.26Å; L54-F94 HydrophobicContact CD2-CE2 3.83Å; L54-F94 HydrophobicContact CD2-CG 3.66Å; L54-F94 HydrophobicContact CD2-CZ 4.18Å; L54-F94 HydrophobicContact CG-CD1 4.4Å; L54-F94 HydrophobicContact CG-CG 4.36Å; P55-F94 HydrophobicContact CG-CD1 4.23Å; P55-F94 HydrophobicContact CG-CE1 4.29Å; I84-F94 HydrophobicContact CD1-CE2 4.01Å; I84-F94 HydrophobicContact CD1-CZ 3.84Å; R90-F94 PolarHBondContact O-N 2.79Å; E92-F94 VanDerWaalsContact C-N 3.29Å; E92-F94 PolarHBondContact O-N 3.02Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 HydrophobicContact CB-CD2 3.49Å; F94-L96 VanDerWaalsContact CB-CD2 3.49Å; F94-L96 HydrophobicContact CB-CG 3.84Å; F94-L96 PolarHBondContact O-N 3Å
95S97.7Very high92.3Very high104 Ų10469.2 Ų69.273%0.72736%0.362SS*.THydrogen-bonded Turntrans51.747.4-175.5-590000112.7V91 E92V91-S95 CarbonylContact O-C 3.58Å; V91-S95 VanDerWaalsContact O-CA 3.25Å; V91-S95 WeakPolarHBondContact O-CA 3.49Å; V91-S95 PolarHBondContact O-N 3.28Å; E92-S95 PolarHBondContact O-N 3.29Å
96L96.1Very high92.2Very high15 Ų1566.8 Ų66.88%0.07935%0.347CS..  trans-69.7145.2-172.8-56.3179.2000111.9L54 D58 P86 V91 F94 K98L54-L96 HydrophobicContact CD1-CD1 3.98Å; L54-L96 HydrophobicContact CD1-CD2 4.03Å; L54-L96 HydrophobicContact CD2-CD1 4.23Å; L54-L96 HydrophobicContact CD2-CD2 4.32Å; L54-L96 HydrophobicContact CG-CD1 4.43Å; L54-L96 HydrophobicContact CG-CD2 3.98Å; D58-L96 HydrophobicContact CB-CD2 3.85Å; D58-L96 WeakPolarHBondContact OD1-CA 3.46Å; P86-L96 HydrophobicContact CB-CD1 3.49Å; P86-L96 VanDerWaalsContact CB-CD1 3.49Å; P86-L96 HydrophobicContact CG-CD1 4.01Å; V91-L96 HydrophobicContact CB-CB 4.47Å; V91-L96 HydrophobicContact CG1-CB 4.32Å; V91-L96 HydrophobicContact CG2-CB 4.34Å; V91-L96 HydrophobicContact CG2-CD1 4.06Å; V91-L96 PolarHBondContact O-N 2.85Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 HydrophobicContact CB-CD2 3.49Å; F94-L96 VanDerWaalsContact CB-CD2 3.49Å; F94-L96 HydrophobicContact CB-CG 3.84Å; F94-L96 PolarHBondContact O-N 3Å; L96-K98 WeakPolarHBondContact CB-O 3.42Å; L96-K98 PolarHBondContact O-N 2.99Å
97K96.9Very high92.4Very high115 Ų11566.5 Ų66.550%0.535%0.345SS..SBendtrans-60.3-35.6173.1-65.6167.1-177168.70112.1D58 Q59 D61 W100D58-K97 WeakPolarHBondContact O-CE 3.46Å; D58-K97 PolarHBondContact O-NZ 2.86Å; D58-K97 PolarHBondContact OD1-N 3.13Å; Q59-K97 PolarHBondContact O-NZ 3.42Å; D61-K97 VanDerWaalsContact OD1-CD 3.29Å; D61-K97 WeakPolarHBondContact OD1-CD 3.49Å; D61-K97 IonicContact OD1-NZ 3.06Å; D61-K97 PolarHBondContact OD1-NZ 3.35Å; D61-K97 IonicContact OD2-NZ 2.87Å; K97-W100 HydrophobicContact CB-CZ2 4.28Å; K97-W100 HydrophobicContact CD-CZ2 4.32Å
98K91.3Very high92.5Very high109 Ų10964.4 Ų64.447%0.47433%0.331SS..SBendtrans-158.6168176.672.3-174.384.9153.90110.6L96 W100L96-K98 WeakPolarHBondContact CB-O 3.42Å; L96-K98 PolarHBondContact O-N 2.99Å; K98-W100 HydrophobicContact CD-CD2 4.09Å; K98-W100 HydrophobicContact CD-CE3 3.67Å; K98-W100 HydrophobicContact CD-CH2 3.62Å; K98-W100 HydrophobicContact CD-CZ2 4.01Å; K98-W100 HydrophobicContact CD-CZ3 3.45Å; K98-W100 VanDerWaalsContact CD-CZ3 3.45Å; K98-W100 VanDerWaalsContact CE-CZ3 3.42Å; K98-W100 HydrophobicContact CG-CD2 3.65Å; K98-W100 HydrophobicContact CG-CE3 3.78Å; K98-W100 HydrophobicContact CG-CG 4.32Å; K98-W100 HydrophobicContact CG-CH2 3.9Å; K98-W100 HydrophobicContact CG-CZ2 3.74Å; K98-W100 HydrophobicContact CG-CZ3 3.93Å; K98-W100 PolarHBondContact O-N 3.04Å
99M90Very high92.4Very high93 Ų9361.2 Ų61.246%0.45832%0.319SS..  trans-74.394.7168.9-166-173.9-64.600109.7P86 E88 V91P86-M99 WeakPolarHBondContact O-CG 3.4Å; E88-M99 HydrophobicContact CG-CE 3.82Å; V91-M99 HydrophobicContact CG2-CB 3.95Å; V91-M99 HydrophobicContact CG2-CG 4.29Å
100W93.8Very high92.3Very high17 Ų1760.2 Ų60.26%0.06430%0.304CS..PPolyproline II helixtrans-66.7150.1179.8-60.5107.9000112.4D58 D61 D62 P86 K97 K98D58-W100 PolarHBondContact OD1-NE1 3.04Å; D61-W100 VanDerWaalsContact C-CH2 3.44Å; D61-W100 VanDerWaalsContact C-CZ3 3.46Å; D61-W100 HydrophobicContact CB-CH2 3.63Å; D61-W100 HydrophobicContact CB-CZ2 4.35Å; D61-W100 HydrophobicContact CB-CZ3 4.34Å; D61-W100 VanDerWaalsContact O-CZ3 3.31Å; D61-W100 WeakPolarHBondContact O-CZ3 3.22Å; D62-W100 HydrophobicContact CB-CD2 4.07Å; D62-W100 HydrophobicContact CB-CE3 3.52Å; D62-W100 HydrophobicContact CB-CZ3 3.87Å; P86-W100 WeakPolarHBondContact CD-O 3.49Å; P86-W100 HydrophobicContact CG-CB 4.08Å; P86-W100 WeakPolarHBondContact CG-O 3.39Å; K97-W100 HydrophobicContact CB-CZ2 4.28Å; K97-W100 HydrophobicContact CD-CZ2 4.32Å; K98-W100 HydrophobicContact CD-CD2 4.09Å; K98-W100 HydrophobicContact CD-CE3 3.67Å; K98-W100 HydrophobicContact CD-CH2 3.62Å; K98-W100 HydrophobicContact CD-CZ2 4.01Å; K98-W100 HydrophobicContact CD-CZ3 3.45Å; K98-W100 VanDerWaalsContact CD-CZ3 3.45Å; K98-W100 VanDerWaalsContact CE-CZ3 3.42Å; K98-W100 HydrophobicContact CG-CD2 3.65Å; K98-W100 HydrophobicContact CG-CE3 3.78Å; K98-W100 HydrophobicContact CG-CG 4.32Å; K98-W100 HydrophobicContact CG-CH2 3.9Å; K98-W100 HydrophobicContact CG-CZ2 3.74Å; K98-W100 HydrophobicContact CG-CZ3 3.93Å; K98-W100 PolarHBondContact O-N 3.04Å
101K86.8Confident92.1Very high164 Ų16459.6 Ų59.671%0.71330%0.303SS*.PPolyproline II helixtrans-67.9162.7176.7-70-179.3178.8177.50110.9P103K101-P103 WeakPolarHBondContact O-CD 3.43Å
102S88.8Confident91.6Very high38 Ų3859.3 Ų59.327%0.26631%0.308SS..PPolyproline II helixtrans-62.8126.9174.5-174.50000111.2T85 N104 G105 T106T85-S102 WeakPolarHBondContact OG1-CB 3.39Å; T85-S102 PolarHBondContact OG1-OG 2.85Å; S102-N104 VanDerWaalsContact C-N 3.26Å; S102-N104 PolarHBondContact O-N 3.19Å; S102-G105 PolarHBondContact O-N 2.9Å; S102-G105 VanDerWaalsContact O-N 3.1Å; S102-T106 PolarHBondContact O-N 2.88Å; S102-T106 PolarHBondContact O-OG1 3.33Å
103P94.7Very high91Very high0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-57.4-40.2175.4-28.237.2000112.7T65 T83 K101 G105 T106 I107T65-P103 HydrophobicContact CG2-CB 3.85Å; T83-P103 HydrophobicContact CG2-CG 4.48Å; K101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-G105 VanDerWaalsContact C-N 3.32Å; P103-G105 PolarHBondContact O-N 2.91Å; P103-T106 PolarHBondContact O-N 2.9Å; P103-I107 WeakPolarHBondContact O-CB 3.46Å; P103-I107 WeakPolarHBondContact O-CD1 3.49Å; P103-I107 VanDerWaalsContact O-CG1 3.29Å; P103-I107 WeakPolarHBondContact O-CG1 3.34Å; P103-I107 PolarHBondContact O-N 3.21Å
104N89.4Confident90.9Very high32 Ų3248.6 Ų48.617%0.17126%0.264CS..Hα-helixtrans-60.1-42.9177.2-72.10.7000111.3K80 S102 R108 E313K80-N104 WeakPolarHBondContact CE-OD1 3.5Å; K80-N104 PolarHBondContact NZ-OD1 2.75Å; S102-N104 VanDerWaalsContact C-N 3.26Å; S102-N104 PolarHBondContact O-N 3.19Å; N104-R108 VanDerWaalsContact O-CB 3.25Å; N104-R108 WeakPolarHBondContact O-CB 3.36Å; N104-R108 VanDerWaalsContact O-CD 3.3Å; N104-R108 WeakPolarHBondContact O-CD 3.36Å; N104-R108 WeakPolarHBondContact O-CG 3.45Å; N104-R108 PolarHBondContact O-N 3.46Å; N104-E313 PolarHBondContact ND2-OE2 3.37Å; N104-E313 PolarHBondContact OD1-OE2 2.73Å
105G86.4Confident90.7Very high27 Ų2745.6 Ų45.628%0.27825%0.251SS..Hα-helixtrans-60.8-49.3174.800000111.8S102 P103 N109S102-G105 PolarHBondContact O-N 2.9Å; S102-G105 VanDerWaalsContact O-N 3.1Å; P103-G105 VanDerWaalsContact C-N 3.32Å; P103-G105 PolarHBondContact O-N 2.91Å; G105-N109 WeakPolarHBondContact O-CB 3.42Å; G105-N109 PolarHBondContact O-N 3.3Å; G105-N109 PolarHBondContact O-ND2 2.75Å; G105-N109 PolarHBondContact O-OD1 2.89Å
106T90.1Very high90.6Very high23 Ų2340.7 Ų40.714%0.14122%0.216CC..Hα-helixtrans-60.4-49.2179.2-60.80000112.2T65 I66 S102 P103 N109 I110T65-T106 HydrophobicContact CG2-CG2 3.82Å; I66-T106 HydrophobicContact CG1-CG2 4.02Å; S102-T106 PolarHBondContact O-N 2.88Å; S102-T106 PolarHBondContact O-OG1 3.33Å; P103-T106 PolarHBondContact O-N 2.9Å; T106-N109 WeakPolarHBondContact O-CB 3.3Å; T106-N109 PolarHBondContact O-N 3.45Å; T106-I110 HydrophobicContact CG2-CD1 4Å; T106-I110 WeakPolarHBondContact O-CG1 3.36Å; T106-I110 PolarHBondContact O-N 2.9Å; T106-I110 VanDerWaalsContact O-N 3.07Å
107I93.8Very high90.5Very high1 Ų141.1 Ų41.11%0.00522%0.217CC..Hα-helixtrans-62.1-48.4-179.9-67.1159.1000110.6M21 L52 T65 A69 K80 P103 N109 I110 L111M21-I107 HydrophobicContact CE-CD1 4.23Å; M21-I107 HydrophobicContact SD-CD1 3.57Å; M21-I107 VanDerWaalsContact SD-CD1 3.57Å; M21-I107 HydrophobicContact SD-CG1 4.5Å; L52-I107 HydrophobicContact CD1-CD1 3.98Å; T65-I107 HydrophobicContact CG2-CD1 4.49Å; T65-I107 HydrophobicContact CG2-CG1 4.22Å; A69-I107 HydrophobicContact CB-CB 4.34Å; A69-I107 HydrophobicContact CB-CG1 4.09Å; A69-I107 HydrophobicContact CB-CG2 4.27Å; K80-I107 HydrophobicContact CD-CD1 3.94Å; P103-I107 WeakPolarHBondContact O-CB 3.46Å; P103-I107 WeakPolarHBondContact O-CD1 3.49Å; P103-I107 VanDerWaalsContact O-CG1 3.29Å; P103-I107 WeakPolarHBondContact O-CG1 3.34Å; P103-I107 PolarHBondContact O-N 3.21Å; I107-N109 VanDerWaalsContact C-N 3.29Å; I107-N109 PolarHBondContact O-N 2.99Å; I107-I110 PolarHBondContact O-N 3.23Å; I107-I110 VanDerWaalsContact O-N 3.12Å; I107-L111 HydrophobicContact CG2-CD1 3.6Å; I107-L111 HydrophobicContact CG2-CG 4.06Å; I107-L111 WeakPolarHBondContact O-CB 3.38Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 2.97Å
108R88.9Confident90.4Very high29 Ų2936.4 Ų36.411%0.10920%0.197CC..Hα-helixtrans-61.6-37.5178.9-69.7168.6-171.1176.21.6112.3N104 I110 G112 L302 E313N104-R108 VanDerWaalsContact O-CB 3.25Å; N104-R108 WeakPolarHBondContact O-CB 3.36Å; N104-R108 VanDerWaalsContact O-CD 3.3Å; N104-R108 WeakPolarHBondContact O-CD 3.36Å; N104-R108 WeakPolarHBondContact O-CG 3.45Å; N104-R108 PolarHBondContact O-N 3.46Å; R108-I110 VanDerWaalsContact C-N 3.33Å; R108-G112 WeakPolarHBondContact O-CA 3.44Å; R108-G112 PolarHBondContact O-N 2.91Å; R108-L302 HydrophobicContact CG-CD1 4.13Å; R108-L302 HydrophobicContact CG-CD2 4.02Å; R108-E313 IonicContact CZ-OE1 2.68Å; R108-E313 IonicContact NH2-OE1 3Å; R108-E313 PolarHBondContact NH2-OE1 3.47Å
109N85.7Confident90.5Very high79 Ų7931.5 Ų31.542%0.42218%0.176SC..Hα-helixtrans-64.8-38176-67.5-21.2000112.4G105 T106 I107 R148G105-N109 WeakPolarHBondContact O-CB 3.42Å; G105-N109 PolarHBondContact O-N 3.3Å; G105-N109 PolarHBondContact O-ND2 2.75Å; G105-N109 PolarHBondContact O-OD1 2.89Å; T106-N109 WeakPolarHBondContact O-CB 3.3Å; T106-N109 PolarHBondContact O-N 3.45Å; I107-N109 VanDerWaalsContact C-N 3.29Å; I107-N109 PolarHBondContact O-N 2.99Å; N109-R148 PolarHBondContact ND2-NH2 2.99Å; N109-R148 PolarHBondContact OD1-NH2 2.75Å
110I91.1Very high90.7Very high41 Ų4127.6 Ų27.621%0.2116%0.157CC..Hα-helixtrans-73.9-51.4178.6-69.4166.4000109.6I66 A69 L70 K73 T106 I107 R108I66-I110 HydrophobicContact CB-CD1 4.27Å; I66-I110 HydrophobicContact CG1-CD1 4.28Å; I66-I110 HydrophobicContact CG2-CD1 3.99Å; A69-I110 HydrophobicContact CB-CB 3.88Å; A69-I110 HydrophobicContact CB-CD1 3.68Å; A69-I110 HydrophobicContact CB-CG1 4.39Å; A69-I110 HydrophobicContact CB-CG2 3.76Å; L70-I110 HydrophobicContact CD2-CG2 4.1Å; K73-I110 HydrophobicContact CD-CG2 4.45Å; K73-I110 WeakPolarHBondContact CE-O 3.27Å; K73-I110 PolarHBondContact NZ-O 3.39Å; T106-I110 HydrophobicContact CG2-CD1 4Å; T106-I110 WeakPolarHBondContact O-CG1 3.36Å; T106-I110 PolarHBondContact O-N 2.9Å; T106-I110 VanDerWaalsContact O-N 3.07Å; I107-I110 PolarHBondContact O-N 3.23Å; I107-I110 VanDerWaalsContact O-N 3.12Å; R108-I110 VanDerWaalsContact C-N 3.33Å
111L90.1Very high90.6Very high14 Ų1429.2 Ų29.27%0.07317%0.166CC..Hα-helixtrans-66.7-44-175.1-66.5-174.3000112.1A69 T72 K73 I107 L302 T309 E311A69-L111 WeakPolarHBondContact O-CD2 3.49Å; T72-L111 HydrophobicContact CG2-CD1 3.82Å; T72-L111 HydrophobicContact CG2-CD2 4.11Å; K73-L111 HydrophobicContact CD-CD2 4.48Å; K73-L111 HydrophobicContact CG-CD2 3.46Å; K73-L111 VanDerWaalsContact CG-CD2 3.46Å; I107-L111 HydrophobicContact CG2-CD1 3.6Å; I107-L111 HydrophobicContact CG2-CG 4.06Å; I107-L111 WeakPolarHBondContact O-CB 3.38Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 2.97Å; L111-L302 HydrophobicContact CB-CD2 3.94Å; L111-L302 HydrophobicContact CD1-CD2 3.67Å; L111-L302 HydrophobicContact CG-CD2 4.39Å; L111-T309 HydrophobicContact CD2-CG2 4.32Å; L111-E311 HydrophobicContact CD1-CB 4.15Å
112G81.8Confident91Very high34 Ų3421.5 Ų21.535%0.35113%0.133SC..  trans68.1105-17200000110.3R108 P305R108-G112 WeakPolarHBondContact O-CA 3.44Å; R108-G112 PolarHBondContact O-N 2.91Å; G112-P305 WeakPolarHBondContact O-CD 3.06Å
113G84.8Confident91.2Very high21 Ų2127.3 Ų27.322%0.21616%0.156CC..  trans-176.6-178.4-177.300000114.4L302 V303G113-L302 VanDerWaalsContact C-CD1 3.45Å; G113-V303 CarbonylContact C-O 3.45Å; G113-V303 VanDerWaalsContact CA-O 3.25Å; G113-V303 WeakPolarHBondContact CA-O 3.31Å
114T93.1Very high91.2Very high0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-110.6131.6-178.1-56.30000110F116 F199 S202 L302 V303T114-F116 HydrophobicContact CG2-CD2 4.14Å; T114-F116 HydrophobicContact CG2-CE1 4.22Å; T114-F116 HydrophobicContact CG2-CE2 3.56Å; T114-F116 HydrophobicContact CG2-CZ 3.6Å; T114-F116 WeakPolarHBondContact O-CD2 3.47Å; T114-F199 HydrophobicContact CG2-CD2 3.54Å; T114-F199 HydrophobicContact CG2-CE2 3.56Å; T114-F199 WeakPolarHBondContact OG1-CA 3.22Å; T114-F199 VanDerWaalsContact OG1-CD2 3.3Å; T114-F199 WeakPolarHBondContact OG1-CD2 3.34Å; T114-S202 WeakPolarHBondContact OG1-CB 3.2Å; T114-L302 CarbonylContact O-C 3.59Å; T114-L302 WeakPolarHBondContact O-CA 3.48Å; T114-V303 PolarHBondContact N-O 3.34Å; T114-V303 PolarHBondContact O-N 3.43Å
115V93.1Very high91.5Very high1 Ų128.4 Ų28.41%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-88.4116.7176.51800000109.2R117 G139 R140 A142 S300 L302V115-R117 HydrophobicContact CG1-CG 4.31Å; V115-G139 CarbonylContact O-C 3.57Å; V115-G139 WeakPolarHBondContact O-CA 3.5Å; V115-R140 HydrophobicContact CB-CB 4.48Å; V115-R140 PolarHBondContact N-O 3.07Å; V115-R140 PolarHBondContact O-N 2.68Å; V115-A142 HydrophobicContact CG2-CB 4.05Å; V115-S300 VanDerWaalsContact CG1-OG 3.24Å; V115-S300 WeakPolarHBondContact CG1-OG 3.21Å; V115-L302 HydrophobicContact CG2-CB 4.45Å; V115-L302 HydrophobicContact CG2-CD1 3.77Å
116F95.9Very high91.9Very high1 Ų130.2 Ų30.20%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-96.9121.8174-67.5-86.7000110.4T114 T137 I138 Y206 V273 S300 V301 V303T114-F116 HydrophobicContact CG2-CD2 4.14Å; T114-F116 HydrophobicContact CG2-CE1 4.22Å; T114-F116 HydrophobicContact CG2-CE2 3.56Å; T114-F116 HydrophobicContact CG2-CZ 3.6Å; T114-F116 WeakPolarHBondContact O-CD2 3.47Å; F116-T137 HydrophobicContact CB-CG2 4.06Å; F116-T137 HydrophobicContact CD1-CG2 3.97Å; F116-I138 CarbonylContact C-O 3.53Å; F116-I138 VanDerWaalsContact CA-O 3.23Å; F116-I138 WeakPolarHBondContact CA-O 3.38Å; F116-Y206 HydrophobicContact CB-CD2 4.42Å; F116-Y206 HydrophobicContact CB-CE2 3.99Å; F116-Y206 AromaticContact CD1-CD1 3.72Å; F116-Y206 HydrophobicContact CD1-CD1 3.72Å; F116-Y206 AromaticContact CD1-CD2 3.96Å; F116-Y206 HydrophobicContact CD1-CD2 3.96Å; F116-Y206 HydrophobicContact CD1-CE1 4.04Å; F116-Y206 HydrophobicContact CD1-CE2 4.23Å; F116-Y206 AromaticContact CD1-CG 3.69Å; F116-Y206 HydrophobicContact CD1-CG 3.69Å; F116-Y206 AromaticContact CD2-CD2 3.9Å; F116-Y206 HydrophobicContact CD2-CD2 3.9Å; F116-Y206 HydrophobicContact CD2-CE2 4.25Å; F116-Y206 HydrophobicContact CD2-CG 4.32Å; F116-Y206 AromaticContact CE1-CD1 3.88Å; F116-Y206 HydrophobicContact CE1-CD1 3.88Å; F116-Y206 HydrophobicContact CE1-CD2 4.18Å; F116-Y206 AromaticContact CE1-CG 3.63Å; F116-Y206 HydrophobicContact CE1-CG 3.63Å; F116-Y206 HydrophobicContact CE2-CD2 4.11Å; F116-Y206 HydrophobicContact CE2-CG 4.26Å; F116-Y206 HydrophobicContact CG-CD1 4.35Å; F116-Y206 AromaticContact CG-CD2 3.81Å; F116-Y206 HydrophobicContact CG-CD2 3.81Å; F116-Y206 HydrophobicContact CG-CE1 4.44Å; F116-Y206 AromaticContact CG-CE2 3.89Å; F116-Y206 HydrophobicContact CG-CE2 3.89Å; F116-Y206 HydrophobicContact CG-CG 4.05Å; F116-Y206 HydrophobicContact CZ-CD2 4.25Å; F116-Y206 AromaticContact CZ-CG 3.92Å; F116-Y206 HydrophobicContact CZ-CG 3.92Å; F116-V273 HydrophobicContact CD1-CG1 4.47Å; F116-V273 HydrophobicContact CE1-CG1 4.07Å; F116-S300 CarbonylContact O-C 3.6Å; F116-S300 WeakPolarHBondContact O-CA 3.16Å; F116-V301 PolarHBondContact N-O 2.92Å; F116-V301 PolarHBondContact O-N 3.29Å; F116-V303 HydrophobicContact CD2-CB 3.99Å; F116-V303 HydrophobicContact CD2-CG2 3.7Å; F116-V303 HydrophobicContact CE2-CB 3.88Å; F116-V303 HydrophobicContact CE2-CG2 4.05Å
117R94.9Very high92Very high24 Ų2432 Ų329%0.09117%0.173CC..EExtended strand (participates in β ladder)trans-111.5124.7174.8-73.5-179.8171.3-167-8.8110.2V115 T137 I138 S285 D286 M298 T299 A315V115-R117 HydrophobicContact CG1-CG 4.31Å; R117-T137 CarbonylContact O-C 3.58Å; R117-T137 VanDerWaalsContact O-CA 3.3Å; R117-T137 WeakPolarHBondContact O-CA 3.48Å; R117-T137 WeakPolarHBondContact O-CG2 3.43Å; R117-I138 PolarHBondContact N-O 3.32Å; R117-I138 PolarHBondContact O-N 3.29Å; R117-S285 VanDerWaalsContact CD-CB 3.48Å; R117-S285 PolarHBondContact NH1-OG 3.4Å; R117-D286 IonicContact NH1-OD1 3.95Å; R117-M298 HydrophobicContact CB-CG 4.31Å; R117-M298 HydrophobicContact CB-SD 3.88Å; R117-T299 VanDerWaalsContact CA-O 3.25Å; R117-T299 WeakPolarHBondContact CA-O 3.3Å; R117-A315 PolarHBondContact NH2-O 2.91Å; R117-A315 VanDerWaalsContact NH2-O 3.15Å
118E93.7Very high91.8Very high17 Ų1737.9 Ų37.98%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-134.9130.8-178.6176.8166.9126.800111.1P135 T137 Y206 K210 M298 T299E118-P135 HydrophobicContact CG-CB 4.16Å; E118-T137 HydrophobicContact CB-CG2 4.15Å; E118-T137 PolarHBondContact OE2-OG1 3.41Å; E118-Y206 PolarHBondContact OE2-OH 3.23Å; E118-K210 IonicContact OE1-NZ 3.35Å; E118-K210 PolarHBondContact OE1-NZ 3.22Å; E118-K210 VanDerWaalsContact OE2-CE 3.31Å; E118-K210 WeakPolarHBondContact OE2-CE 3.3Å; E118-K210 IonicContact OE2-NZ 3.38Å; E118-K210 PolarHBondContact OE2-NZ 2.93Å; E118-M298 PolarHBondContact N-SD 2.84Å; E118-M298 VanDerWaalsContact O-SD 3.32Å; E118-T299 PolarHBondContact N-O 2.86Å; E118-T299 PolarHBondContact O-N 2.73Å; E118-T299 PolarHBondContact O-OG1 3.01Å
119P94.3Very high92.1Very high6 Ų637.9 Ų37.94%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-72.4147.6179.529.7-35000111.6P135 I136 F292 L297 M298P119-P135 HydrophobicContact CG-CB 4.03Å; P119-I136 WeakPolarHBondContact CD-O 3.46Å; P119-F292 HydrophobicContact CB-CB 3.56Å; P119-F292 HydrophobicContact CB-CD1 3.94Å; P119-F292 HydrophobicContact CB-CD2 3.85Å; P119-F292 HydrophobicContact CB-CG 3.5Å; P119-F292 HydrophobicContact CG-CB 4.25Å; P119-F292 HydrophobicContact CG-CD1 3.84Å; P119-F292 HydrophobicContact CG-CD2 3.6Å; P119-F292 HydrophobicContact CG-CE1 4.02Å; P119-F292 HydrophobicContact CG-CE2 3.8Å; P119-F292 HydrophobicContact CG-CG 3.62Å; P119-F292 HydrophobicContact CG-CZ 4Å; P119-L297 CarbonylContact C-O 3.59Å; P119-L297 VanDerWaalsContact CA-O 3.28Å; P119-L297 WeakPolarHBondContact CA-O 3.46Å; P119-M298 HydrophobicContact CB-CE 3.85Å; P119-M298 HydrophobicContact CB-SD 4.45Å; P119-M298 HydrophobicContact CG-CE 4.4Å; P119-M298 VanDerWaalsContact N-SD 3.39Å
120I93.3Very high92.4Very high10 Ų1039 Ų395%0.05122%0.219CC..  trans-93.5115.5172.7-56.1170.4000107L297 T299 I337 F341 V371I120-L297 HydrophobicContact CB-CB 4.2Å; I120-L297 HydrophobicContact CB-CD2 4.32Å; I120-L297 HydrophobicContact CG2-CD2 4.43Å; I120-L297 PolarHBondContact N-O 3.48Å; I120-T299 HydrophobicContact CD1-CG2 3.86Å; I120-T299 HydrophobicContact CG1-CG2 3.86Å; I120-I337 HydrophobicContact CD1-CG2 3.67Å; I120-I337 HydrophobicContact CG2-CG2 4.45Å; I120-F341 HydrophobicContact CD1-CB 4.05Å; I120-F341 HydrophobicContact CD1-CD1 3.51Å; I120-F341 HydrophobicContact CD1-CD2 3.73Å; I120-F341 HydrophobicContact CD1-CE1 3.76Å; I120-F341 HydrophobicContact CD1-CE2 3.97Å; I120-F341 HydrophobicContact CD1-CG 3.47Å; I120-F341 VanDerWaalsContact CD1-CG 3.47Å; I120-F341 HydrophobicContact CD1-CZ 3.98Å; I120-F341 HydrophobicContact CG1-CD1 3.87Å; I120-F341 HydrophobicContact CG1-CE1 3.82Å; I120-F341 HydrophobicContact CG1-CG 4.35Å; I120-F341 HydrophobicContact CG1-CZ 4.27Å; I120-F341 HydrophobicContact CG2-CE1 4.01Å; I120-F341 HydrophobicContact CG2-CE2 4.35Å; I120-F341 HydrophobicContact CG2-CZ 3.74Å; I120-V371 HydrophobicContact CG2-CG2 4.03Å
121I92.7Very high92.5Very high51 Ų5139 Ų3926%0.26223%0.229SC..  trans-90.9122.1-175.6-59.8-176.3000109.8P135 F292I121-P135 HydrophobicContact CD1-CB 4.19Å; I121-P135 HydrophobicContact CD1-CG 3.64Å; I121-P135 HydrophobicContact CG1-CG 4.37Å; I121-F292 HydrophobicContact CD1-CE1 4.19Å; I121-F292 HydrophobicContact CG1-CD1 4.36Å; I121-F292 HydrophobicContact CG1-CE1 4.45Å
122C94.1Very high92.8Very high3 Ų338.5 Ų38.52%0.0223%0.226CC..  trans-111.2128.9164.9-59.80000108.5N124 I125 V374 E375C122-N124 VanDerWaalsContact C-N 3.3Å; C122-N124 PolarHBondContact O-N 3.14Å; C122-I125 HydrophobicContact CB-CB 4.28Å; C122-I125 HydrophobicContact CB-CG1 3.67Å; C122-I125 PolarHBondContact O-N 2.98Å; C122-I125 VanDerWaalsContact O-N 3.15Å; C122-V374 HydrophobicContact CB-CB 4.41Å; C122-V374 HydrophobicContact CB-CG1 3.91Å; C122-E375 HydrophobicContact CB-CG 4.45Å
123Q93.5Very high93.2Very high159 Ų15941 Ų4174%0.74323%0.234SC*.THydrogen-bonded Turntrans-63.1-35.3-170.9-69.6175.23700113.4I125 E375Q123-I125 VanDerWaalsContact C-N 3.3Å; Q123-I125 PolarHBondContact O-N 3.12Å; Q123-E375 VanDerWaalsContact CB-OE1 3.31Å; Q123-E375 WeakPolarHBondContact CB-OE1 3.48Å; Q123-E375 WeakPolarHBondContact CG-OE1 3.47Å; Q123-E375 PolarHBondContact N-OE1 3.43Å
124N94.4Very high93.7Very high52 Ų5244.4 Ų44.428%0.27825%0.245SC..THydrogen-bonded Turntrans-83.70.7-179.368.9-28.7000114.1C122 P126 V374 E375C122-N124 VanDerWaalsContact C-N 3.3Å; C122-N124 PolarHBondContact O-N 3.14Å; N124-P126 WeakPolarHBondContact O-CD 3.39Å; N124-V374 PolarHBondContact ND2-O 3.36Å; N124-E375 WeakPolarHBondContact ND2-CA 3.48Å
125I95.9Very high93.8Very high3 Ų345.2 Ų45.22%0.01525%0.25CC..SBendtrans-95.6113.2174.4-57.3-56.4000109C122 Q123 R127 L297 V374 M379 L383 C386 I387C122-I125 HydrophobicContact CB-CB 4.28Å; C122-I125 HydrophobicContact CB-CG1 3.67Å; C122-I125 PolarHBondContact O-N 2.98Å; C122-I125 VanDerWaalsContact O-N 3.15Å; Q123-I125 VanDerWaalsContact C-N 3.3Å; Q123-I125 PolarHBondContact O-N 3.12Å; I125-R127 PolarHBondContact O-NH1 3.46Å; I125-L297 HydrophobicContact CG2-CD1 4.49Å; I125-V374 HydrophobicContact CD1-CG1 3.89Å; I125-V374 HydrophobicContact CG1-CG1 3.91Å; I125-M379 HydrophobicContact CD1-SD 4.11Å; I125-L383 HydrophobicContact CD1-CB 3.87Å; I125-C386 HydrophobicContact CG2-CB 4Å; I125-I387 HydrophobicContact CD1-CD1 3.96Å; I125-I387 HydrophobicContact CD1-CG1 4.14Å
126P94.3Very high94.1Very high66 Ų6645.2 Ų45.243%0.42925%0.25SC..  trans-62.3139.6176.3-21.633.2000111.1N124N124-P126 WeakPolarHBondContact O-CD 3.39Å
127R93.5Very high94.2Very high61 Ų6145.1 Ų45.123%0.2325%0.249CC..  trans-94.7144.4172.6-67.4165.6-71.1-73.50.7109.1I125 V129 W132 G291 F292I125-R127 PolarHBondContact O-NH1 3.46Å; R127-V129 PolarHBondContact O-N 3.42Å; R127-W132 WeakPolarHBondContact CD-O 3.16Å; R127-W132 PolarHBondContact NE-O 3.43Å; R127-G291 WeakPolarHBondContact CA-O 3.34Å; R127-G291 WeakPolarHBondContact CB-O 3.47Å; R127-F292 HydrophobicContact CG-CD1 4.23Å
128L89.6Confident94.3Very high123 Ų12344 Ų4464%0.64425%0.245SC*.SBendtrans-66.3-28.9176.8-62.9-179000111.7P130 Q290 G291L128-P130 WeakPolarHBondContact O-CD 3.36Å; L128-Q290 HydrophobicContact CD1-CG 4.07Å; L128-G291 PolarHBondContact N-O 2.89Å
129V93.8Very high94.5Very high30 Ų3043.2 Ų43.218%0.18224%0.242CC..SBendtrans-108.898.8170-176.30000107.8R127 G131 W132 L266R127-V129 PolarHBondContact O-N 3.42Å; V129-G131 PolarHBondContact O-N 3.39Å; V129-G131 VanDerWaalsContact O-N 3.14Å; V129-W132 HydrophobicContact CB-CD2 3.58Å; V129-W132 HydrophobicContact CB-CE3 3.83Å; V129-W132 HydrophobicContact CB-CG 4.02Å; V129-W132 HydrophobicContact CB-CH2 4.24Å; V129-W132 HydrophobicContact CB-CZ2 4.01Å; V129-W132 HydrophobicContact CB-CZ3 4.16Å; V129-W132 HydrophobicContact CG1-CD2 3.88Å; V129-W132 HydrophobicContact CG1-CG 3.96Å; V129-W132 HydrophobicContact CG1-CZ2 4.19Å; V129-W132 HydrophobicContact CG2-CD2 4.2Å; V129-W132 HydrophobicContact CG2-CE3 4.21Å; V129-W132 HydrophobicContact CG2-CH2 3.76Å; V129-W132 HydrophobicContact CG2-CZ2 3.75Å; V129-W132 HydrophobicContact CG2-CZ3 4.01Å; V129-W132 PolarHBondContact O-N 2.9Å; V129-W132 VanDerWaalsContact O-N 3.16Å; V129-L266 HydrophobicContact CG2-CD2 4.05Å
130P92.4Very high94.6Very high103 Ų10343.8 Ų43.867%0.66924%0.243SC*.THydrogen-bonded Turntrans-61.6-27-171.6-26.535.6000114.3L128 W132L128-P130 WeakPolarHBondContact O-CD 3.36Å; P130-W132 PolarHBondContact O-N 2.74Å
131G93.8Very high94.6Very high41 Ų4143.4 Ų43.442%0.42324%0.241SC..THydrogen-bonded Turntrans-67.8-18.9179.800000114.5V129 T133 S269V129-G131 PolarHBondContact O-N 3.39Å; V129-G131 VanDerWaalsContact O-N 3.14Å; G131-T133 VanDerWaalsContact C-N 3.29Å; G131-T133 PolarHBondContact O-N 2.83Å; G131-S269 VanDerWaalsContact O-CA 3.32Å; G131-S269 WeakPolarHBondContact O-CA 3.28Å
132W95.7Very high94.4Very high3 Ų341.8 Ų41.81%0.01124%0.235CC..  trans-73.680.4178-66-12.3000111.1R127 V129 P130 I136 V265 L266 L288 F292R127-W132 WeakPolarHBondContact CD-O 3.16Å; R127-W132 PolarHBondContact NE-O 3.43Å; V129-W132 HydrophobicContact CB-CD2 3.58Å; V129-W132 HydrophobicContact CB-CE3 3.83Å; V129-W132 HydrophobicContact CB-CG 4.02Å; V129-W132 HydrophobicContact CB-CH2 4.24Å; V129-W132 HydrophobicContact CB-CZ2 4.01Å; V129-W132 HydrophobicContact CB-CZ3 4.16Å; V129-W132 HydrophobicContact CG1-CD2 3.88Å; V129-W132 HydrophobicContact CG1-CG 3.96Å; V129-W132 HydrophobicContact CG1-CZ2 4.19Å; V129-W132 HydrophobicContact CG2-CD2 4.2Å; V129-W132 HydrophobicContact CG2-CE3 4.21Å; V129-W132 HydrophobicContact CG2-CH2 3.76Å; V129-W132 HydrophobicContact CG2-CZ2 3.75Å; V129-W132 HydrophobicContact CG2-CZ3 4.01Å; V129-W132 PolarHBondContact O-N 2.9Å; V129-W132 VanDerWaalsContact O-N 3.16Å; P130-W132 PolarHBondContact O-N 2.74Å; W132-I136 HydrophobicContact CD2-CD1 4.36Å; W132-I136 HydrophobicContact CG-CD1 4.5Å; W132-V265 HydrophobicContact CZ2-CG1 3.9Å; W132-V265 PolarHBondContact NE1-O 3.21Å; W132-L266 HydrophobicContact CZ2-CD2 4.09Å; W132-L288 HydrophobicContact CH2-CD2 3.82Å; W132-L288 HydrophobicContact CZ2-CD2 4.35Å; W132-L288 HydrophobicContact CZ3-CD2 3.95Å; W132-F292 HydrophobicContact CB-CE1 4.01Å; W132-F292 HydrophobicContact CB-CZ 3.77Å; W132-F292 HydrophobicContact CD2-CE2 4.13Å; W132-F292 HydrophobicContact CD2-CZ 4.23Å; W132-F292 AromaticContact CE3-CD2 3.86Å; W132-F292 HydrophobicContact CE3-CD2 3.86Å; W132-F292 AromaticContact CE3-CE2 3.5Å; W132-F292 HydrophobicContact CE3-CE2 3.5Å; W132-F292 VanDerWaalsContact CE3-CE2 3.5Å; W132-F292 AromaticContact CE3-CZ 3.93Å; W132-F292 HydrophobicContact CE3-CZ 3.93Å; W132-F292 HydrophobicContact CG-CZ 4.21Å; W132-F292 HydrophobicContact CZ3-CD2 4.16Å; W132-F292 HydrophobicContact CZ3-CE2 4.05Å
133T91.5Very high94.2Very high85 Ų8543.6 Ų43.652%0.52124%0.243SC..  trans-86.6-16.5-179.454.50000113G131 S269G131-T133 VanDerWaalsContact C-N 3.29Å; G131-T133 PolarHBondContact O-N 2.83Å; T133-S269 PolarHBondContact N-O 2.85Å
134Q95.1Very high94Very high94 Ų9436 Ų3644%0.43921%0.207SC..SBendtrans-120.9157.1175.9-62.6-71.6-1900110.6S269 A271 F292Q134-S269 WeakPolarHBondContact CB-O 3.34Å; Q134-S269 PolarHBondContact N-O 3.33Å; Q134-A271 HydrophobicContact CB-CB 3.68Å; Q134-A271 HydrophobicContact CG-CB 4Å; Q134-F292 WeakPolarHBondContact O-CZ 3.44Å
135P95.3Very high94Very high17 Ų1733.6 Ų33.611%0.1119%0.194CC..  trans-66.5156.7179.3-9.422.8000111.4E118 P119 I121 W212 A271E118-P135 HydrophobicContact CG-CB 4.16Å; P119-P135 HydrophobicContact CG-CB 4.03Å; I121-P135 HydrophobicContact CD1-CB 4.19Å; I121-P135 HydrophobicContact CD1-CG 3.64Å; I121-P135 HydrophobicContact CG1-CG 4.37Å; P135-W212 HydrophobicContact CB-CH2 3.82Å; P135-W212 HydrophobicContact CB-CZ3 4.37Å; P135-W212 HydrophobicContact CG-CH2 3.72Å; P135-W212 HydrophobicContact CG-CZ2 4.38Å; P135-A271 WeakPolarHBondContact O-CA 3.2Å; P135-A271 PolarHBondContact O-N 2.78Å
136I97.9Very high93.6Very high0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-118.8125.4167-62.4169.4000106.8P119 W132 V265 F272 L288 F292P119-I136 WeakPolarHBondContact CD-O 3.46Å; W132-I136 HydrophobicContact CD2-CD1 4.36Å; W132-I136 HydrophobicContact CG-CD1 4.5Å; I136-V265 HydrophobicContact CD1-CG1 3.96Å; I136-F272 HydrophobicContact CB-CZ 4.44Å; I136-F272 HydrophobicContact CD1-CE1 4.03Å; I136-F272 HydrophobicContact CD1-CZ 3.73Å; I136-F272 HydrophobicContact CG1-CE1 3.89Å; I136-F272 HydrophobicContact CG1-CE2 4.44Å; I136-F272 HydrophobicContact CG1-CZ 3.82Å; I136-F272 HydrophobicContact CG2-CD2 4.18Å; I136-F272 HydrophobicContact CG2-CE2 3.58Å; I136-F272 HydrophobicContact CG2-CZ 3.78Å; I136-L288 HydrophobicContact CB-CD1 3.94Å; I136-L288 HydrophobicContact CB-CD2 4.31Å; I136-L288 HydrophobicContact CD1-CD2 4.04Å; I136-L288 HydrophobicContact CG2-CD1 3.62Å; I136-L288 HydrophobicContact CG2-CD2 4.4Å; I136-F292 HydrophobicContact CB-CE2 4.43Å; I136-F292 HydrophobicContact CD1-CE2 4.4Å; I136-F292 HydrophobicContact CG1-CE2 4.45Å; I136-F292 HydrophobicContact CG1-CZ 4.38Å
137T98.1Very high93Very high0 Ų038.7 Ų38.70%021%0.209CC..EExtended strand (participates in β ladder)trans-98.3124.7175.6-42.60000109.7F116 R117 E118 Y206 W212 F272 V273 W274F116-T137 HydrophobicContact CB-CG2 4.06Å; F116-T137 HydrophobicContact CD1-CG2 3.97Å; R117-T137 CarbonylContact O-C 3.58Å; R117-T137 VanDerWaalsContact O-CA 3.3Å; R117-T137 WeakPolarHBondContact O-CA 3.48Å; R117-T137 WeakPolarHBondContact O-CG2 3.43Å; E118-T137 HydrophobicContact CB-CG2 4.15Å; E118-T137 PolarHBondContact OE2-OG1 3.41Å; T137-Y206 HydrophobicContact CG2-CD1 4.39Å; T137-Y206 HydrophobicContact CG2-CE1 3.6Å; T137-W212 WeakPolarHBondContact OG1-CZ3 3.29Å; T137-F272 PolarHBondContact N-O 3.33Å; T137-F272 VanDerWaalsContact N-O 3.13Å; T137-V273 CarbonylContact O-C 3.58Å; T137-V273 WeakPolarHBondContact O-CA 3.34Å; T137-W274 PolarHBondContact O-N 2.98Å
138I98.1Very high92.6Very high1 Ų139.8 Ų39.81%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-93.5126167.7-77.2174.9000109.4F116 R117 W274 C276 Q284 L288F116-I138 CarbonylContact C-O 3.53Å; F116-I138 VanDerWaalsContact CA-O 3.23Å; F116-I138 WeakPolarHBondContact CA-O 3.38Å; R117-I138 PolarHBondContact N-O 3.32Å; R117-I138 PolarHBondContact O-N 3.29Å; I138-W274 CarbonylContact C-O 3.59Å; I138-W274 WeakPolarHBondContact CA-O 3.48Å; I138-W274 HydrophobicContact CD1-CE3 3.95Å; I138-W274 HydrophobicContact CD1-CZ3 4.15Å; I138-W274 HydrophobicContact CG1-CB 4.31Å; I138-W274 HydrophobicContact CG1-CD2 4.34Å; I138-W274 HydrophobicContact CG1-CE3 3.89Å; I138-C276 HydrophobicContact CG2-CB 4.25Å; I138-Q284 VanDerWaalsContact CD1-C 3.48Å; I138-Q284 HydrophobicContact CD1-CB 3.63Å; I138-L288 HydrophobicContact CD1-CD1 3.36Å; I138-L288 HydrophobicContact CD1-CG 4.03Å; I138-L288 HydrophobicContact CG1-CD1 3.57Å
139G97.6Very high92.5Very high0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-96.7108.2163.300000109.6V115 F199 W274 A275 C276V115-G139 CarbonylContact O-C 3.57Å; V115-G139 WeakPolarHBondContact O-CA 3.5Å; G139-F199 WeakPolarHBondContact O-CE2 3.25Å; G139-W274 PolarHBondContact N-O 3.11Å; G139-A275 WeakPolarHBondContact O-CA 3.31Å; G139-C276 PolarHBondContact O-N 3.43Å
140R96.2Very high92.2Very high18 Ų1839 Ų397%0.06822%0.216CC..EExtended strand (participates in β ladder)trans-90.4126.9179.3174.7-174.6171.4173.56.7111V115 A142 Y147 N278 D282V115-R140 HydrophobicContact CB-CB 4.48Å; V115-R140 PolarHBondContact N-O 3.07Å; V115-R140 PolarHBondContact O-N 2.68Å; R140-A142 PolarHBondContact O-N 3.05Å; R140-Y147 VanDerWaalsContact NH2-CZ 3.28Å; R140-N278 PolarHBondContact NE-O 3.06Å; R140-N278 PolarHBondContact NE-OD1 3.02Å; R140-N278 PolarHBondContact NH2-OD1 3.45Å; R140-D282 IonicContact CZ-OD1 3.93Å; R140-D282 IonicContact NH1-OD1 3.91Å; R140-D282 PolarHBondContact NH1-OD1 3.1Å; R140-D282 IonicContact NH1-OD2 2.68Å; R140-D282 IonicContact NH2-OD1 2.81Å; R140-D282 IonicContact NH2-OD2 3.92Å
141H94.3Very high92.1Very high2 Ų239.7 Ų39.71%0.00921%0.214CC..  trans-72.385.9169.4-174-151.1000110.9F143 N191 S195 F199 F230 C276 N278H141-F143 PolarHBondContact O-N 3.24Å; H141-N191 PolarHBondContact CE1-ND2 3.41Å; H141-N191 VanDerWaalsContact CE1-ND2 3.26Å; H141-N191 PolarHBondContact CE1-OD1 2.77Å; H141-N191 VanDerWaalsContact CE1-OD1 3.25Å; H141-S195 PolarHBondContact NE2-O 3.42Å; H141-S195 PolarHBondContact NE2-OG 3.2Å; H141-F199 HydrophobicContact CB-CD1 3.75Å; H141-F199 HydrophobicContact CB-CD2 3.74Å; H141-F199 HydrophobicContact CB-CE1 3.78Å; H141-F199 HydrophobicContact CB-CE2 3.8Å; H141-F199 HydrophobicContact CB-CG 3.77Å; H141-F199 HydrophobicContact CB-CZ 3.82Å; H141-F199 AromaticContact CD2-CG 3.67Å; H141-F199 AromaticContact CG-CD1 3.84Å; H141-F199 AromaticContact CG-CG 3.8Å; H141-F230 AromaticContact CE1-CE1 3.71Å; H141-F230 AromaticContact CE1-CZ 3.73Å; H141-F230 AromaticContact ND1-CE1 3.24Å; H141-F230 WeakPolarHBondContact ND1-CE1 3.44Å; H141-F230 AromaticContact ND1-CZ 3.43Å; H141-F230 WeakPolarHBondContact ND1-CZ 3.4Å; H141-C276 PolarHBondContact N-O 3.32Å; H141-N278 WeakPolarHBondContact O-CA 3.47Å; H141-N278 WeakPolarHBondContact O-CB 3.36Å; H141-N278 PolarHBondContact O-OD1 3.26Å
142A87.9Confident92.1Very high16 Ų1641.9 Ų41.913%0.13221%0.212CC..  trans-79.345.9-17200000114V115 R140V115-A142 HydrophobicContact CG2-CB 4.05Å; R140-A142 PolarHBondContact O-N 3.05Å
143F89.3Confident92.1Very high42 Ų4247.5 Ų47.518%0.18425%0.247CC..SBendtrans-147.3145.8178.7177.9-88.1000111.9H141 R148 Y190 N191 T192 S195 N278H141-F143 PolarHBondContact O-N 3.24Å; F143-R148 VanDerWaalsContact CE2-CZ 3.49Å; F143-R148 VanDerWaalsContact CE2-NH1 3.29Å; F143-Y190 HydrophobicContact CE1-CE2 4.38Å; F143-Y190 HydrophobicContact CZ-CE2 4.26Å; F143-N191 WeakPolarHBondContact CD1-OD1 3.25Å; F143-N191 PolarHBondContact O-ND2 3.43Å; F143-T192 HydrophobicContact CE1-CG2 4.12Å; F143-T192 HydrophobicContact CZ-CG2 4.29Å; F143-S195 WeakPolarHBondContact CB-OG 3.4Å; F143-S195 WeakPolarHBondContact CD1-OG 3.24Å; F143-S195 VanDerWaalsContact CG-OG 3.29Å; F143-S195 WeakPolarHBondContact CG-OG 3.35Å; F143-N278 PolarHBondContact N-ND2 2.85Å; F143-N278 PolarHBondContact O-ND2 3.06Å
144G89.9Confident92.4Very high0 Ų044.2 Ų44.20%023%0.227CC..SBendtrans66.2-151.8172.200000113.9Y147 Y190 N278G144-Y147 PolarHBondContact O-N 3.32Å; G144-Y190 WeakPolarHBondContact CA-O 3.45Å; G144-N278 PolarHBondContact O-ND2 3.39Å; G144-N278 VanDerWaalsContact O-ND2 3.16Å
145D94.6Very high92.5Very high1 Ų146.4 Ų46.41%0.00524%0.241CC..G310 helixtrans54.1-144.8-177.3-58.8-6.3000111.3Y147 R148 A149 M189 Y190 N191 Y226 K277 N278D145-Y147 PolarHBondContact O-N 3.46Å; D145-Y147 VanDerWaalsContact O-N 3.08Å; D145-R148 CarbonylContact O-C 3.58Å; D145-R148 PolarHBondContact O-N 3.35Å; D145-R148 VanDerWaalsContact O-N 3.13Å; D145-A149 PolarHBondContact O-N 2.81Å; D145-M189 HydrophobicContact CB-SD 4.47Å; D145-Y190 PolarHBondContact N-O 3.06Å; D145-N191 PolarHBondContact OD1-ND2 3.35Å; D145-Y226 WeakPolarHBondContact OD1-CE1 3.29Å; D145-Y226 PolarHBondContact OD1-OH 2.84Å; D145-K277 WeakPolarHBondContact OD2-CE 3.39Å; D145-N278 HydrophobicContact CB-CB 4.21Å
146Q87.2Confident92.6Very high80 Ų8051.9 Ų51.937%0.37427%0.265SS..G310 helixtrans-57.3-25.8-178.6-62.888.7-19.400113.3R148 A149 M189Q146-R148 PolarHBondContact O-N 2.92Å; Q146-A149 PolarHBondContact O-N 2.75Å; Q146-M189 HydrophobicContact CG-CE 3.8Å; Q146-M189 HydrophobicContact CG-SD 4.46Å
147Y81.1Confident92.6Very high96 Ų9656.2 Ų56.238%0.37629%0.293SS..G310 helixtrans-78.2-4.7-176.4-60.9-97.8000113.2R140 G144 D145 N278 Y279 D282R140-Y147 VanDerWaalsContact NH2-CZ 3.28Å; G144-Y147 PolarHBondContact O-N 3.32Å; D145-Y147 PolarHBondContact O-N 3.46Å; D145-Y147 VanDerWaalsContact O-N 3.08Å; Y147-N278 HydrophobicContact CD2-CB 3.82Å; Y147-N278 WeakPolarHBondContact CD2-ND2 3.46Å; Y147-N278 WeakPolarHBondContact CD2-OD1 3.41Å; Y147-N278 HydrophobicContact CE2-CB 3.98Å; Y147-Y279 HydrophobicContact CE2-CD2 4.5Å; Y147-D282 WeakPolarHBondContact OH-CB 3.33Å; Y147-D282 PolarHBondContact OH-OD2 3.17Å
148R86.3Confident92.6Very high83 Ų8357.7 Ų57.731%0.31331%0.309SS..G310 helixtrans-138.629.3170.8-63.2-170.6172.9-161.11.9111.5N109 F143 D145 Q146 Y190N109-R148 PolarHBondContact ND2-NH2 2.99Å; N109-R148 PolarHBondContact OD1-NH2 2.75Å; F143-R148 VanDerWaalsContact CE2-CZ 3.49Å; F143-R148 VanDerWaalsContact CE2-NH1 3.29Å; D145-R148 CarbonylContact O-C 3.58Å; D145-R148 PolarHBondContact O-N 3.35Å; D145-R148 VanDerWaalsContact O-N 3.13Å; Q146-R148 PolarHBondContact O-N 2.92Å; R148-Y190 HydrophobicContact CB-CE1 4.04Å; R148-Y190 WeakPolarHBondContact CD-OH 3.34Å; R148-Y190 PolarHBondContact NH1-OH 2.74Å; R148-Y190 WeakPolarHBondContact O-CE1 3.44Å
149A85.8Confident92.7Very high27 Ų2763.2 Ų63.222%0.22333%0.333CS..  trans-75.5160.7174.900000110.9D145 Q146 G188 M189D145-A149 PolarHBondContact O-N 2.81Å; Q146-A149 PolarHBondContact O-N 2.75Å; A149-G188 CarbonylContact C-O 3.49Å; A149-G188 VanDerWaalsContact CA-O 3.23Å; A149-G188 WeakPolarHBondContact CA-O 3.3Å; A149-G188 WeakPolarHBondContact CB-O 3.28Å; A149-M189 HydrophobicContact CB-CB 4Å
150T88.9Confident92.7Very high110 Ų11064.8 Ų64.868%0.67534%0.34SS*.EExtended strand (participates in β ladder)trans-111.9124.9161.5-59.10000107.2M187 G188T150-M187 CarbonylContact O-C 3.53Å; T150-M187 VanDerWaalsContact O-CA 3.25Å; T150-M187 WeakPolarHBondContact O-CA 3.24Å; T150-G188 PolarHBondContact N-O 3.31Å; T150-G188 PolarHBondContact O-N 2.98Å
151D90.6Very high92.8Very high118 Ų11868.3 Ų68.363%0.63136%0.355SS*.EExtended strand (participates in β ladder)trans-124.2158.4179.165.8-47.4000111.8G186 M187D151-G186 CarbonylContact C-O 3.56Å; D151-G186 VanDerWaalsContact CA-O 3.3Å; D151-G186 WeakPolarHBondContact CA-O 3.06Å; D151-M187 HydrophobicContact CB-CB 3.92Å
152F92.2Very high93Very high86 Ų8672.5 Ų72.538%0.37738%0.376SS..EExtended strand (participates in β ladder)trans-155.4154.2179.160.2-83.3000111.4V154 F160 C185 G186F152-V154 HydrophobicContact CD2-CG2 3.96Å; F152-V154 HydrophobicContact CE2-CG2 3.59Å; F152-F160 HydrophobicContact CE1-CD2 4.31Å; F152-F160 HydrophobicContact CE1-CE2 4.05Å; F152-F160 HydrophobicContact CE1-CZ 4.3Å; F152-F160 HydrophobicContact CZ-CD1 4.48Å; F152-F160 AromaticContact CZ-CD2 3.8Å; F152-F160 HydrophobicContact CZ-CD2 3.8Å; F152-F160 HydrophobicContact CZ-CE2 4.02Å; F152-F160 HydrophobicContact CZ-CG 4.09Å; F152-F160 HydrophobicContact CZ-CZ 4.44Å; F152-C185 WeakPolarHBondContact O-CA 3.45Å; F152-G186 PolarHBondContact N-O 2.85Å; F152-G186 PolarHBondContact O-N 2.79Å
153V95.6Very high93.5Very high121 Ų12175.9 Ų75.973%0.73340%0.395SS*.EExtended strand (participates in β ladder)trans-89.5138.1170.51790000108.9
154V98Very high93.9Very high17 Ų1779.6 Ų79.610%0.10341%0.411CS..EExtended strand (participates in β ladder)trans-99.7119.1172.4178.60000107.5F152 Q156 F180 G183 G184F152-V154 HydrophobicContact CD2-CG2 3.96Å; F152-V154 HydrophobicContact CE2-CG2 3.59Å; V154-Q156 WeakPolarHBondContact CG1-O 3.29Å; V154-F180 HydrophobicContact CG1-CB 4.12Å; V154-F180 HydrophobicContact CG1-CD1 4.34Å; V154-F180 HydrophobicContact CG1-CD2 4.36Å; V154-F180 HydrophobicContact CG1-CG 4.03Å; V154-F180 HydrophobicContact CG2-CD2 4.18Å; V154-F180 HydrophobicContact CG2-CE1 4.37Å; V154-F180 HydrophobicContact CG2-CE2 4.02Å; V154-F180 HydrophobicContact CG2-CG 4.42Å; V154-F180 HydrophobicContact CG2-CZ 4.12Å; V154-G183 CarbonylContact O-C 3.59Å; V154-G183 WeakPolarHBondContact O-CA 2.87Å; V154-G184 PolarHBondContact N-O 2.85Å; V154-G184 PolarHBondContact O-N 2.76Å
155D97.6Very high94.3Very high139 Ų13983 Ų8374%0.74344%0.435SS*.  trans-104.8-8.6-177.561.5-11.2000113.5
156Q97.5Very high94.4Very high133 Ų13384 Ų8462%0.62144%0.442SS*.SBendtrans-146.7161-179.165.7-175.5-3.100112.1V154V154-Q156 WeakPolarHBondContact CG1-O 3.29Å
157P98.6Very high94.8Very high90 Ų9086.7 Ų86.758%0.58447%0.469SS*.SBendtrans-58.5140.8177.2-21.832.8000112.7F180 P181P157-F180 CarbonylContact C-O 3.46Å; P157-F180 WeakPolarHBondContact CA-O 3.33Å; P157-F180 WeakPolarHBondContact CB-O 3.45Å; P157-P181 WeakPolarHBondContact CG-O 3.48Å
158G98.3Very high95.5Very high31 Ų3188 Ų8832%0.3248%0.483SS..EExtended strand (participates in β ladder)trans171.4167.7-179.600000115.3F180G158-F180 PolarHBondContact N-O 3.38Å; G158-F180 WeakPolarHBondContact O-CB 3.29Å; G158-F180 PolarHBondContact O-N 3.06Å
159K98.4Very high96Very high117 Ų11787.5 Ų87.551%0.50950%0.503SS..EExtended strand (participates in β ladder)trans-95.3126.4-177.4-66.6-174.1166.5-138.80112.4E176 D179K159-E176 IonicContact NZ-OE1 3.63Å; K159-E176 IonicContact NZ-OE2 2.85Å; K159-E176 PolarHBondContact NZ-OE2 3.24Å; K159-D179 VanDerWaalsContact CE-OD2 3.24Å; K159-D179 WeakPolarHBondContact CE-OD2 3.31Å; K159-D179 HydrophobicContact CG-CB 4.22Å
160F98.6Very high96.5Very high34 Ų3488.9 Ų88.915%0.14951%0.511CS..EExtended strand (participates in β ladder)trans-95.4127.6168.5175.1-145.8000110.5F152 V177 Y178 F180F152-F160 HydrophobicContact CE1-CD2 4.31Å; F152-F160 HydrophobicContact CE1-CE2 4.05Å; F152-F160 HydrophobicContact CE1-CZ 4.3Å; F152-F160 HydrophobicContact CZ-CD1 4.48Å; F152-F160 AromaticContact CZ-CD2 3.8Å; F152-F160 HydrophobicContact CZ-CD2 3.8Å; F152-F160 HydrophobicContact CZ-CE2 4.02Å; F152-F160 HydrophobicContact CZ-CG 4.09Å; F152-F160 HydrophobicContact CZ-CZ 4.44Å; F160-V177 HydrophobicContact CB-CB 4.49Å; F160-V177 HydrophobicContact CD1-CB 3.54Å; F160-V177 HydrophobicContact CD1-CG1 3.56Å; F160-V177 HydrophobicContact CD1-CG2 3.98Å; F160-V177 HydrophobicContact CE1-CB 3.88Å; F160-V177 HydrophobicContact CE1-CG1 3.68Å; F160-V177 HydrophobicContact CE1-CG2 3.9Å; F160-V177 HydrophobicContact CG-CB 4.05Å; F160-V177 HydrophobicContact CG-CG2 4.38Å; F160-V177 HydrophobicContact CZ-CG2 4.21Å; F160-V177 PolarHBondContact O-N 3.13Å; F160-Y178 PolarHBondContact N-O 2.68Å; F160-Y178 PolarHBondContact O-N 2.65Å; F160-F180 HydrophobicContact CB-CD2 4.31Å; F160-F180 HydrophobicContact CB-CE2 3.76Å
161K98.5Very high96.8Very high92 Ų9287.7 Ų87.740%0.451%0.512SS..EExtended strand (participates in β ladder)trans-133.9154.7-179.9-51.3-167-179.5179.10111.4E174 W175 E176K161-E174 HydrophobicContact CD-CG 4.29Å; K161-E174 WeakPolarHBondContact CD-OE1 3.47Å; K161-E174 WeakPolarHBondContact CE-OE1 3.43Å; K161-E174 IonicContact NZ-OE1 2.75Å; K161-E174 PolarHBondContact NZ-OE1 3.48Å; K161-W175 CarbonylContact C-O 3.6Å; K161-W175 VanDerWaalsContact CA-O 3.26Å; K161-W175 WeakPolarHBondContact CA-O 3.33Å; K161-E176 HydrophobicContact CG-CG 4.45Å
162M98.5Very high97.1Very high90 Ų9087 Ų8744%0.44351%0.509SS..EExtended strand (participates in β ladder)trans-110.9140.4169.2-65-176.3-59.900110E174 W175 V177M162-E174 CarbonylContact O-C 3.49Å; M162-E174 WeakPolarHBondContact O-CA 3.36Å; M162-W175 HydrophobicContact CB-CE3 4.44Å; M162-W175 HydrophobicContact CE-CB 4.29Å; M162-W175 PolarHBondContact N-O 2.76Å; M162-W175 PolarHBondContact O-N 3.41Å; M162-V177 HydrophobicContact CE-CG2 3.92Å; M162-V177 HydrophobicContact CG-CG2 3.7Å; M162-V177 HydrophobicContact SD-CG2 4.19Å
163V98.3Very high97.4Very high87 Ų8788.5 Ų88.553%0.52752%0.515SS..EExtended strand (participates in β ladder)trans-127.7127.5176.4-177.40000109.1N172 K173 E174V163-N172 HydrophobicContact CG1-CB 4.48Å; V163-K173 CarbonylContact C-O 3.55Å; V163-K173 WeakPolarHBondContact CA-O 3.23Å; V163-E174 HydrophobicContact CG2-CG 4.19Å
164F98.1Very high97.5Very high119 Ų11988 Ų8852%0.52251%0.505SS..EExtended strand (participates in β ladder)trans-109.6121.4169-179.1-104000109.2P166 N172 K173 W175F164-P166 HydrophobicContact CD1-CG 4.12Å; F164-P166 HydrophobicContact CE1-CB 4.42Å; F164-P166 HydrophobicContact CE1-CG 3.95Å; F164-N172 WeakPolarHBondContact O-CA 3.45Å; F164-K173 PolarHBondContact N-O 3.41Å; F164-K173 PolarHBondContact O-N 2.97Å; F164-W175 HydrophobicContact CB-CH2 4.16Å; F164-W175 HydrophobicContact CB-CZ3 3.79Å
165S97.4Very high97.6Very high72 Ų7293.4 Ų93.450%0.50352%0.523SS..  trans-110.4104.7179.5-55.80000109.6N172S165-N172 WeakPolarHBondContact CA-OD1 3.5Å; S165-N172 WeakPolarHBondContact CB-OD1 3.01Å; S165-N172 PolarHBondContact OG-ND2 2.84Å; S165-N172 PolarHBondContact OG-OD1 3.46Å
166P97.1Very high97.6Very high23 Ų2391.8 Ų91.815%0.14951%0.511CS..  trans-60.1139.4179.2-24.635.7000112.6F164 D168 G169 S170F164-P166 HydrophobicContact CD1-CG 4.12Å; F164-P166 HydrophobicContact CE1-CB 4.42Å; F164-P166 HydrophobicContact CE1-CG 3.95Å; P166-D168 VanDerWaalsContact C-N 3.29Å; P166-D168 WeakPolarHBondContact CB-OD1 3.43Å; P166-D168 PolarHBondContact O-N 3.36Å; P166-G169 PolarHBondContact O-N 2.99Å; P166-S170 WeakPolarHBondContact CB-OG 3.38Å; P166-S170 VanDerWaalsContact CG-OG 3.24Å; P166-S170 WeakPolarHBondContact CG-OG 3.41Å
167S96Very high97.6Very high136 Ų13688.7 Ų88.795%0.95150%0.501SS*.THydrogen-bonded Turntrans-75.5-17.6178.554.10000113.8G169S167-G169 PolarHBondContact O-N 2.87Å
168D95.9Very high97.6Very high124 Ų12490.5 Ų90.566%0.66350%0.498SS*.THydrogen-bonded Turntrans-78.70.1176.166.10.4000113.3P166 S170P166-D168 VanDerWaalsContact C-N 3.29Å; P166-D168 WeakPolarHBondContact CB-OD1 3.43Å; P166-D168 PolarHBondContact O-N 3.36Å; D168-S170 VanDerWaalsContact C-N 3.3Å; D168-S170 WeakPolarHBondContact OD1-CB 3.38Å; D168-S170 PolarHBondContact OD1-N 3.4Å; D168-S170 PolarHBondContact OD1-OG 3.28Å
169G95Very high97.6Very high71 Ų7192.8 Ų92.873%0.73250%0.502SS*.SBendtrans79.77.1-178.800000114.4P166 S167P166-G169 PolarHBondContact O-N 2.99Å; S167-G169 PolarHBondContact O-N 2.87Å
170S96.5Very high97.6Very high56 Ų5688.3 Ų88.339%0.39248%0.483SS..PPolyproline II helixtrans-67.6163.1171.164.40000112P166 D168 N172P166-S170 WeakPolarHBondContact CB-OG 3.38Å; P166-S170 VanDerWaalsContact CG-OG 3.24Å; P166-S170 WeakPolarHBondContact CG-OG 3.41Å; D168-S170 VanDerWaalsContact C-N 3.3Å; D168-S170 WeakPolarHBondContact OD1-CB 3.38Å; D168-S170 PolarHBondContact OD1-N 3.4Å; D168-S170 PolarHBondContact OD1-OG 3.28Å; S170-N172 PolarHBondContact O-N 2.79Å
171A96.9Very high97.6Very high85 Ų8591.6 Ų91.670%0.70251%0.508SS*.PPolyproline II helixtrans-60.8137.3-170.800000112.9
172N96.9Very high97.6Very high104 Ų10489.9 Ų89.956%0.55651%0.511SS*.PPolyproline II helixtrans-58.7146.8174.5-71.10.6000111.3V163 F164 S165 S170V163-N172 HydrophobicContact CG1-CB 4.48Å; F164-N172 WeakPolarHBondContact O-CA 3.45Å; S165-N172 WeakPolarHBondContact CA-OD1 3.5Å; S165-N172 WeakPolarHBondContact CB-OD1 3.01Å; S165-N172 PolarHBondContact OG-ND2 2.84Å; S165-N172 PolarHBondContact OG-OD1 3.46Å; S170-N172 PolarHBondContact O-N 2.79Å
173K97.8Very high97.6Very high117 Ų11788.2 Ų88.251%0.50952%0.516SS..EExtended strand (participates in β ladder)trans-111135.5171.5-60.9178.2-176.81750109V163 F164 W175V163-K173 CarbonylContact C-O 3.55Å; V163-K173 WeakPolarHBondContact CA-O 3.23Å; F164-K173 PolarHBondContact N-O 3.41Å; F164-K173 PolarHBondContact O-N 2.97Å; K173-W175 HydrophobicContact CB-CE3 4.4Å; K173-W175 HydrophobicContact CB-CH2 3.24Å; K173-W175 HydrophobicContact CB-CZ2 3.79Å; K173-W175 HydrophobicContact CB-CZ3 3.58Å; K173-W175 HydrophobicContact CD-CH2 3.84Å; K173-W175 HydrophobicContact CD-CZ2 4.09Å; K173-W175 HydrophobicContact CG-CH2 4.17Å
174E98.2Very high97.5Very high112 Ų11285.5 Ų85.552%0.52351%0.506SS..EExtended strand (participates in β ladder)trans-127.2139.9-179.6-175.6176143.400109.9K161 M162 V163K161-E174 HydrophobicContact CD-CG 4.29Å; K161-E174 WeakPolarHBondContact CD-OE1 3.47Å; K161-E174 WeakPolarHBondContact CE-OE1 3.43Å; K161-E174 IonicContact NZ-OE1 2.75Å; K161-E174 PolarHBondContact NZ-OE1 3.48Å; M162-E174 CarbonylContact O-C 3.49Å; M162-E174 WeakPolarHBondContact O-CA 3.36Å; V163-E174 HydrophobicContact CG2-CG 4.19Å
175W98.5Very high97.5Very high129 Ų12984.4 Ų84.449%0.48951%0.512SS..EExtended strand (participates in β ladder)trans-131.2125.1174.4-60.7-93.2000109.2K161 M162 F164 K173K161-W175 CarbonylContact C-O 3.6Å; K161-W175 VanDerWaalsContact CA-O 3.26Å; K161-W175 WeakPolarHBondContact CA-O 3.33Å; M162-W175 HydrophobicContact CB-CE3 4.44Å; M162-W175 HydrophobicContact CE-CB 4.29Å; M162-W175 PolarHBondContact N-O 2.76Å; M162-W175 PolarHBondContact O-N 3.41Å; F164-W175 HydrophobicContact CB-CH2 4.16Å; F164-W175 HydrophobicContact CB-CZ3 3.79Å; K173-W175 HydrophobicContact CB-CE3 4.4Å; K173-W175 HydrophobicContact CB-CH2 3.24Å; K173-W175 HydrophobicContact CB-CZ2 3.79Å; K173-W175 HydrophobicContact CB-CZ3 3.58Å; K173-W175 HydrophobicContact CD-CH2 3.84Å; K173-W175 HydrophobicContact CD-CZ2 4.09Å; K173-W175 HydrophobicContact CG-CH2 4.17Å
176E98.3Very high97.6Very high105 Ų10581.4 Ų81.449%0.49149%0.493SS..EExtended strand (participates in β ladder)trans-75.1124.3166.7-169.3172.1109.700108.4K159 K161K159-E176 IonicContact NZ-OE1 3.63Å; K159-E176 IonicContact NZ-OE2 2.85Å; K159-E176 PolarHBondContact NZ-OE2 3.24Å; K161-E176 HydrophobicContact CG-CG 4.45Å
177V98.4Very high97.6Very high68 Ų6885 Ų8541%0.41251%0.509SS..EExtended strand (participates in β ladder)trans-89.7-52-179.3-179.20000109.9F160 M162F160-V177 HydrophobicContact CB-CB 4.49Å; F160-V177 HydrophobicContact CD1-CB 3.54Å; F160-V177 HydrophobicContact CD1-CG1 3.56Å; F160-V177 HydrophobicContact CD1-CG2 3.98Å; F160-V177 HydrophobicContact CE1-CB 3.88Å; F160-V177 HydrophobicContact CE1-CG1 3.68Å; F160-V177 HydrophobicContact CE1-CG2 3.9Å; F160-V177 HydrophobicContact CG-CB 4.05Å; F160-V177 HydrophobicContact CG-CG2 4.38Å; F160-V177 HydrophobicContact CZ-CG2 4.21Å; F160-V177 PolarHBondContact O-N 3.13Å; M162-V177 HydrophobicContact CE-CG2 3.92Å; M162-V177 HydrophobicContact CG-CG2 3.7Å; M162-V177 HydrophobicContact SD-CG2 4.19Å
178Y98.6Very high97.7Very high129 Ų12980 Ų8051%0.50648%0.478SS..EExtended strand (participates in β ladder)trans-161.8150.7-178.9-165.5-114.9000111.5F160 F180F160-Y178 PolarHBondContact N-O 2.68Å; F160-Y178 PolarHBondContact O-N 2.65Å; Y178-F180 HydrophobicContact CD1-CB 4.49Å; Y178-F180 AromaticContact CD1-CD1 3.73Å; Y178-F180 HydrophobicContact CD1-CD1 3.73Å; Y178-F180 AromaticContact CD1-CD2 3.88Å; Y178-F180 HydrophobicContact CD1-CD2 3.88Å; Y178-F180 AromaticContact CD1-CE1 3.79Å; Y178-F180 HydrophobicContact CD1-CE1 3.79Å; Y178-F180 AromaticContact CD1-CE2 3.95Å; Y178-F180 HydrophobicContact CD1-CE2 3.95Å; Y178-F180 AromaticContact CD1-CG 3.77Å; Y178-F180 HydrophobicContact CD1-CG 3.77Å; Y178-F180 AromaticContact CD1-CZ 3.91Å; Y178-F180 HydrophobicContact CD1-CZ 3.91Å; Y178-F180 AromaticContact CE1-CD1 3.92Å; Y178-F180 HydrophobicContact CE1-CD1 3.92Å; Y178-F180 HydrophobicContact CE1-CE1 4.21Å; Y178-F180 HydrophobicContact CE1-CG 4.19Å
179D98.5Very high97.8Very high79 Ų7977.2 Ų77.242%0.42246%0.462SS..EExtended strand (participates in β ladder)trans-108106.3170-166.2-5.4000108.5K159 P181K159-D179 VanDerWaalsContact CE-OD2 3.24Å; K159-D179 WeakPolarHBondContact CE-OD2 3.31Å; K159-D179 HydrophobicContact CG-CB 4.22Å; D179-P181 VanDerWaalsContact O-CD 3.31Å; D179-P181 WeakPolarHBondContact O-CD 3.44Å
180F98.5Very high97.9Very high22 Ų2278.7 Ų78.710%0.09645%0.446CS..EExtended strand (participates in β ladder)trans-77.9117.8-176-73.1-87.5000110.3V154 P157 G158 F160 Y178 A182 C185V154-F180 HydrophobicContact CG1-CB 4.12Å; V154-F180 HydrophobicContact CG1-CD1 4.34Å; V154-F180 HydrophobicContact CG1-CD2 4.36Å; V154-F180 HydrophobicContact CG1-CG 4.03Å; V154-F180 HydrophobicContact CG2-CD2 4.18Å; V154-F180 HydrophobicContact CG2-CE1 4.37Å; V154-F180 HydrophobicContact CG2-CE2 4.02Å; V154-F180 HydrophobicContact CG2-CG 4.42Å; V154-F180 HydrophobicContact CG2-CZ 4.12Å; P157-F180 CarbonylContact C-O 3.46Å; P157-F180 WeakPolarHBondContact CA-O 3.33Å; P157-F180 WeakPolarHBondContact CB-O 3.45Å; G158-F180 PolarHBondContact N-O 3.38Å; G158-F180 WeakPolarHBondContact O-CB 3.29Å; G158-F180 PolarHBondContact O-N 3.06Å; F160-F180 HydrophobicContact CB-CD2 4.31Å; F160-F180 HydrophobicContact CB-CE2 3.76Å; Y178-F180 HydrophobicContact CD1-CB 4.49Å; Y178-F180 AromaticContact CD1-CD1 3.73Å; Y178-F180 HydrophobicContact CD1-CD1 3.73Å; Y178-F180 AromaticContact CD1-CD2 3.88Å; Y178-F180 HydrophobicContact CD1-CD2 3.88Å; Y178-F180 AromaticContact CD1-CE1 3.79Å; Y178-F180 HydrophobicContact CD1-CE1 3.79Å; Y178-F180 AromaticContact CD1-CE2 3.95Å; Y178-F180 HydrophobicContact CD1-CE2 3.95Å; Y178-F180 AromaticContact CD1-CG 3.77Å; Y178-F180 HydrophobicContact CD1-CG 3.77Å; Y178-F180 AromaticContact CD1-CZ 3.91Å; Y178-F180 HydrophobicContact CD1-CZ 3.91Å; Y178-F180 AromaticContact CE1-CD1 3.92Å; Y178-F180 HydrophobicContact CE1-CD1 3.92Å; Y178-F180 HydrophobicContact CE1-CE1 4.21Å; Y178-F180 HydrophobicContact CE1-CG 4.19Å; F180-A182 VanDerWaalsContact C-N 3.29Å; F180-C185 WeakPolarHBondContact CZ-O 3.39Å
181P97.7Very high97.9Very high103 Ų10377.5 Ų77.567%0.66944%0.435SS*.SBendtrans-80-12.3174.933.1-35.6000113.1P157 D179P157-P181 WeakPolarHBondContact CG-O 3.48Å; D179-P181 VanDerWaalsContact O-CD 3.31Å; D179-P181 WeakPolarHBondContact O-CD 3.44Å
182A98.1Very high97.9Very high56 Ų5676 Ų7646%0.46342%0.417SS..SBendtrans-160.2-164.6-178.700000109.4F180F180-A182 VanDerWaalsContact C-N 3.29Å
183G97.9Very high97.9Very high55 Ų5574.5 Ų74.557%0.56741%0.41SS*.  trans-62.1158.7178.300000114.5V154V154-G183 CarbonylContact O-C 3.59Å; V154-G183 WeakPolarHBondContact O-CA 2.87Å
184G98.1Very high97.8Very high30 Ų3077.1 Ų77.131%0.30942%0.424SS..EExtended strand (participates in β ladder)trans-179-157.4-17600000112.8V154V154-G184 PolarHBondContact N-O 2.85Å; V154-G184 PolarHBondContact O-N 2.76Å
185C97.8Very high97.5Very high97 Ų9773.1 Ų73.166%0.65541%0.408SS*.EExtended strand (participates in β ladder)trans-144.4152.3171.959.40000110.6F152 F180F152-C185 WeakPolarHBondContact O-CA 3.45Å; F180-C185 WeakPolarHBondContact CZ-O 3.39Å
186G98Very high97.5Very high9 Ų967.1 Ų67.19%0.09339%0.386CS..EExtended strand (participates in β ladder)trans-132.8153177.700000110.9D151 F152D151-G186 CarbonylContact C-O 3.56Å; D151-G186 VanDerWaalsContact CA-O 3.3Å; D151-G186 WeakPolarHBondContact CA-O 3.06Å; F152-G186 PolarHBondContact N-O 2.85Å; F152-G186 PolarHBondContact O-N 2.79Å
187M98.1Very high97.4Very high99 Ų9964.4 Ų64.449%0.48838%0.376SS..EExtended strand (participates in β ladder)trans-148.6155.5171.766.3168.358.200112T150 D151 M189T150-M187 CarbonylContact O-C 3.53Å; T150-M187 VanDerWaalsContact O-CA 3.25Å; T150-M187 WeakPolarHBondContact O-CA 3.24Å; D151-M187 HydrophobicContact CB-CB 3.92Å; M187-M189 HydrophobicContact SD-CE 3.69Å
188G98Very high97.2Very high30 Ų3061.9 Ų61.931%0.30936%0.364SS..EExtended strand (participates in β ladder)trans-130.3141.3167.400000110.5A149 T150A149-G188 CarbonylContact C-O 3.49Å; A149-G188 VanDerWaalsContact CA-O 3.23Å; A149-G188 WeakPolarHBondContact CA-O 3.3Å; A149-G188 WeakPolarHBondContact CB-O 3.28Å; T150-G188 PolarHBondContact N-O 3.31Å; T150-G188 PolarHBondContact O-N 2.98Å
189M97.3Very high97Very high65 Ų6555.9 Ų55.932%0.3234%0.341SS..  trans-138.516317969.9-179.27200111.2D145 Q146 A149 M187 Y226D145-M189 HydrophobicContact CB-SD 4.47Å; Q146-M189 HydrophobicContact CG-CE 3.8Å; Q146-M189 HydrophobicContact CG-SD 4.46Å; A149-M189 HydrophobicContact CB-CB 4Å; M187-M189 HydrophobicContact SD-CE 3.69Å; M189-Y226 HydrophobicContact CG-CE2 4.3Å
190Y97.4Very high97Very high103 Ų10352.1 Ų52.140%0.40432%0.32SS..  trans-145.8162.2-178.672.5-83.5000112.1F143 G144 D145 R148 T192 Y226F143-Y190 HydrophobicContact CE1-CE2 4.38Å; F143-Y190 HydrophobicContact CZ-CE2 4.26Å; G144-Y190 WeakPolarHBondContact CA-O 3.45Å; D145-Y190 PolarHBondContact N-O 3.06Å; R148-Y190 HydrophobicContact CB-CE1 4.04Å; R148-Y190 WeakPolarHBondContact CD-OH 3.34Å; R148-Y190 PolarHBondContact NH1-OH 2.74Å; R148-Y190 WeakPolarHBondContact O-CE1 3.44Å; Y190-T192 HydrophobicContact CD2-CG2 4.49Å; Y190-Y226 PolarHBondContact O-OH 2.83Å
191N97.2Very high96.8Very high30 Ų3053.1 Ų53.116%0.1633%0.325CS..  trans-140.6176.2162.9-140.3-57.3000109.4H141 F143 D145 I196 Y226 F230H141-N191 PolarHBondContact CE1-ND2 3.41Å; H141-N191 VanDerWaalsContact CE1-ND2 3.26Å; H141-N191 PolarHBondContact CE1-OD1 2.77Å; H141-N191 VanDerWaalsContact CE1-OD1 3.25Å; F143-N191 WeakPolarHBondContact CD1-OD1 3.25Å; F143-N191 PolarHBondContact O-ND2 3.43Å; D145-N191 PolarHBondContact OD1-ND2 3.35Å; N191-I196 HydrophobicContact CB-CD1 4.35Å; N191-Y226 PolarHBondContact N-OH 2.94Å; N191-F230 HydrophobicContact CB-CE2 4.39Å; N191-F230 HydrophobicContact CB-CZ 4.45Å
192T96.8Very high96.7Very high53 Ų5348.3 Ų48.333%0.32529%0.294SS..  trans-131.2140.7-178.462.30000110.5F143 Y190 E194 S195 I196F143-T192 HydrophobicContact CE1-CG2 4.12Å; F143-T192 HydrophobicContact CZ-CG2 4.29Å; Y190-T192 HydrophobicContact CD2-CG2 4.49Å; T192-E194 PolarHBondContact O-N 2.84Å; T192-S195 PolarHBondContact O-N 3.36Å; T192-S195 VanDerWaalsContact O-N 3.11Å; T192-S195 WeakPolarHBondContact OG1-CB 3.34Å; T192-S195 PolarHBondContact OG1-N 2.85Å; T192-I196 WeakPolarHBondContact O-CG1 3.42Å; T192-I196 PolarHBondContact O-N 2.8Å
193D97.9Very high96.6Very high74 Ų7445.6 Ų45.640%0.39627%0.272SS..Hα-helixtrans-55.6-37.4176.6-72.6-3.4000112.8I196 T197 R229 I233D193-I196 PolarHBondContact O-N 3.05Å; D193-T197 WeakPolarHBondContact O-CB 3.17Å; D193-T197 PolarHBondContact O-N 3.02Å; D193-T197 PolarHBondContact O-OG1 3.35Å; D193-R229 VanDerWaalsContact CG-NE 3.35Å; D193-R229 WeakPolarHBondContact OD1-CG 3.45Å; D193-R229 IonicContact OD1-CZ 3Å; D193-R229 IonicContact OD1-NE 3.82Å; D193-R229 PolarHBondContact OD1-NE 3.19Å; D193-R229 IonicContact OD1-NH2 3.62Å; D193-R229 IonicContact OD2-CZ 2.72Å; D193-R229 IonicContact OD2-NE 3.62Å; D193-R229 PolarHBondContact OD2-NE 3.37Å; D193-R229 IonicContact OD2-NH2 2.75Å; D193-R229 PolarHBondContact OD2-NH2 3.19Å; D193-I233 HydrophobicContact CB-CD1 4.08Å
194E94.6Very high96.6Very high172 Ų17243 Ų4380%0.80425%0.245SC*.Hα-helixtrans-58.2-50.5175.9-176.9-175.5170.900111.5T192 T197 G198T192-E194 PolarHBondContact O-N 2.84Å; E194-T197 PolarHBondContact O-N 2.87Å; E194-G198 PolarHBondContact O-N 2.94Å
195S92.9Very high96.4Very high27 Ų2744.7 Ų44.719%0.18925%0.245CC..Hα-helixtrans-64.1-42.5178.5-172.80000112.5H141 F143 T192 T197 G198 F199H141-S195 PolarHBondContact NE2-O 3.42Å; H141-S195 PolarHBondContact NE2-OG 3.2Å; F143-S195 WeakPolarHBondContact CB-OG 3.4Å; F143-S195 WeakPolarHBondContact CD1-OG 3.24Å; F143-S195 VanDerWaalsContact CG-OG 3.29Å; F143-S195 WeakPolarHBondContact CG-OG 3.35Å; T192-S195 PolarHBondContact O-N 3.36Å; T192-S195 VanDerWaalsContact O-N 3.11Å; T192-S195 WeakPolarHBondContact OG1-CB 3.34Å; T192-S195 PolarHBondContact OG1-N 2.85Å; S195-T197 VanDerWaalsContact C-N 3.32Å; S195-T197 PolarHBondContact O-N 2.74Å; S195-G198 PolarHBondContact O-N 3.11Å; S195-F199 WeakPolarHBondContact O-CB 3.4Å; S195-F199 PolarHBondContact O-N 3.42Å
196I97.4Very high96.2Very high4 Ų442.2 Ų42.22%0.02122%0.222CC..Hα-helixtrans-64.6-39.7178.2-60.7168.9000110.6N191 T192 D193 F199 A200 F230 I233 F234N191-I196 HydrophobicContact CB-CD1 4.35Å; T192-I196 WeakPolarHBondContact O-CG1 3.42Å; T192-I196 PolarHBondContact O-N 2.8Å; D193-I196 PolarHBondContact O-N 3.05Å; I196-F199 WeakPolarHBondContact O-CB 3.4Å; I196-F199 PolarHBondContact O-N 3.08Å; I196-A200 WeakPolarHBondContact O-CB 3.25Å; I196-A200 PolarHBondContact O-N 3.42Å; I196-F230 HydrophobicContact CD1-CD1 4.37Å; I196-F230 HydrophobicContact CD1-CD2 3.78Å; I196-F230 HydrophobicContact CD1-CE1 4.2Å; I196-F230 HydrophobicContact CD1-CE2 3.57Å; I196-F230 HydrophobicContact CD1-CG 4.19Å; I196-F230 HydrophobicContact CD1-CZ 3.81Å; I196-F230 HydrophobicContact CG1-CD1 4.17Å; I196-F230 HydrophobicContact CG1-CD2 4.4Å; I196-F230 HydrophobicContact CG1-CE1 3.77Å; I196-F230 HydrophobicContact CG1-CE2 4.02Å; I196-F230 HydrophobicContact CG1-CG 4.48Å; I196-F230 HydrophobicContact CG1-CZ 3.69Å; I196-F230 HydrophobicContact CG2-CD1 3.81Å; I196-F230 HydrophobicContact CG2-CE1 4.18Å; I196-F230 HydrophobicContact CG2-CG 4.17Å; I196-I233 HydrophobicContact CB-CD1 3.96Å; I196-I233 HydrophobicContact CD1-CD1 4.26Å; I196-I233 HydrophobicContact CG2-CB 4Å; I196-I233 HydrophobicContact CG2-CD1 3.83Å; I196-I233 HydrophobicContact CG2-CG2 3.86Å; I196-F234 HydrophobicContact CG2-CE2 4.42Å
197T96.4Very high96.2Very high48 Ų4841.8 Ų41.829%0.29422%0.217SC..Hα-helixtrans-62.6-48176.8-64.10000111.1D193 E194 S195 F199 A200 H201 I237D193-T197 WeakPolarHBondContact O-CB 3.17Å; D193-T197 PolarHBondContact O-N 3.02Å; D193-T197 PolarHBondContact O-OG1 3.35Å; E194-T197 PolarHBondContact O-N 2.87Å; S195-T197 VanDerWaalsContact C-N 3.32Å; S195-T197 PolarHBondContact O-N 2.74Å; T197-F199 VanDerWaalsContact C-N 3.31Å; T197-F199 PolarHBondContact O-N 2.93Å; T197-A200 PolarHBondContact O-N 3.47Å; T197-H201 PolarHBondContact O-CD2 3.12Å; T197-H201 PolarHBondContact O-N 3.25Å; T197-I237 HydrophobicContact CG2-CD1 3.83Å
198G93.4Very high96Very high15 Ų1538.9 Ų38.916%0.15520%0.204CC..Hα-helixtrans-61.4-39.3175.600000112.8E194 S195 S202E194-G198 PolarHBondContact O-N 2.94Å; S195-G198 PolarHBondContact O-N 3.11Å; G198-S202 WeakPolarHBondContact O-CB 3.44Å; G198-S202 PolarHBondContact O-N 2.84Å; G198-S202 VanDerWaalsContact O-N 3.1Å; G198-S202 PolarHBondContact O-OG 2.78Å
199F96.2Very high95.7Very high3 Ų340.6 Ų40.61%0.01322%0.221CC..Hα-helixtrans-60.2-49.4174.2171.7-123.5000111.8T114 G139 H141 S195 I196 T197 S202 C203 F234 A275 C276T114-F199 HydrophobicContact CG2-CD2 3.54Å; T114-F199 HydrophobicContact CG2-CE2 3.56Å; T114-F199 WeakPolarHBondContact OG1-CA 3.22Å; T114-F199 VanDerWaalsContact OG1-CD2 3.3Å; T114-F199 WeakPolarHBondContact OG1-CD2 3.34Å; G139-F199 WeakPolarHBondContact O-CE2 3.25Å; H141-F199 HydrophobicContact CB-CD1 3.75Å; H141-F199 HydrophobicContact CB-CD2 3.74Å; H141-F199 HydrophobicContact CB-CE1 3.78Å; H141-F199 HydrophobicContact CB-CE2 3.8Å; H141-F199 HydrophobicContact CB-CG 3.77Å; H141-F199 HydrophobicContact CB-CZ 3.82Å; H141-F199 AromaticContact CD2-CG 3.67Å; H141-F199 AromaticContact CG-CD1 3.84Å; H141-F199 AromaticContact CG-CG 3.8Å; S195-F199 WeakPolarHBondContact O-CB 3.4Å; S195-F199 PolarHBondContact O-N 3.42Å; I196-F199 WeakPolarHBondContact O-CB 3.4Å; I196-F199 PolarHBondContact O-N 3.08Å; T197-F199 VanDerWaalsContact C-N 3.31Å; T197-F199 PolarHBondContact O-N 2.93Å; F199-S202 PolarHBondContact O-N 3Å; F199-C203 WeakPolarHBondContact CE2-SG 3.48Å; F199-C203 PolarHBondContact O-N 3.03Å; F199-C203 PolarHBondContact O-SG 2.9Å; F199-F234 AromaticContact CD1-CE2 3.48Å; F199-F234 HydrophobicContact CD1-CE2 3.48Å; F199-F234 VanDerWaalsContact CD1-CE2 3.48Å; F199-F234 AromaticContact CD1-CZ 3.42Å; F199-F234 HydrophobicContact CD1-CZ 3.42Å; F199-F234 VanDerWaalsContact CD1-CZ 3.42Å; F199-F234 AromaticContact CE1-CE2 3.69Å; F199-F234 HydrophobicContact CE1-CE2 3.69Å; F199-F234 AromaticContact CE1-CZ 3.35Å; F199-F234 HydrophobicContact CE1-CZ 3.35Å; F199-F234 HydrophobicContact CG-CE2 4.48Å; F199-F234 HydrophobicContact CG-CZ 4.23Å; F199-F234 HydrophobicContact CZ-CZ 4.13Å; F199-A275 HydrophobicContact CE1-CB 4.23Å; F199-A275 HydrophobicContact CE2-CB 4.48Å; F199-A275 HydrophobicContact CZ-CB 3.69Å; F199-C276 WeakPolarHBondContact CZ-O 3.07Å
200A97.4Very high95.5Very high0 Ų040.3 Ų40.30%022%0.218CC..Hα-helixtrans-59.5-50178.200000112.6I196 T197 S202 C203 F204 F234 I237I196-A200 WeakPolarHBondContact O-CB 3.25Å; I196-A200 PolarHBondContact O-N 3.42Å; T197-A200 PolarHBondContact O-N 3.47Å; A200-S202 VanDerWaalsContact C-N 3.3Å; A200-S202 PolarHBondContact O-N 3.4Å; A200-C203 PolarHBondContact O-N 2.86Å; A200-C203 VanDerWaalsContact O-N 3.16Å; A200-F204 HydrophobicContact CB-CD2 4.44Å; A200-F204 HydrophobicContact CB-CE2 4.15Å; A200-F204 WeakPolarHBondContact O-CD2 2.97Å; A200-F204 PolarHBondContact O-N 3.19Å; A200-F234 VanDerWaalsContact CA-CZ 3.43Å; A200-F234 HydrophobicContact CB-CD1 4.05Å; A200-F234 HydrophobicContact CB-CD2 3.68Å; A200-F234 HydrophobicContact CB-CE1 3.95Å; A200-F234 HydrophobicContact CB-CE2 3.57Å; A200-F234 HydrophobicContact CB-CG 3.93Å; A200-F234 HydrophobicContact CB-CZ 3.71Å; A200-I237 HydrophobicContact CB-CD1 3.69Å
201H95.4Very high95.5Very high43 Ų4342.2 Ų42.220%0.19923%0.228CC..Hα-helixtrans-55.4-45.7177.3-81.4-65.5000111.9T197 C203 F204 Q205 Y242T197-H201 PolarHBondContact O-CD2 3.12Å; T197-H201 PolarHBondContact O-N 3.25Å; H201-C203 PolarHBondContact O-N 2.99Å; H201-F204 PolarHBondContact O-N 3.04Å; H201-Q205 WeakPolarHBondContact O-CB 3.48Å; H201-Q205 WeakPolarHBondContact O-CG 3.41Å; H201-Q205 PolarHBondContact O-N 3.38Å; H201-Y242 AromaticContact ND1-CE2 3.42Å; H201-Y242 WeakPolarHBondContact ND1-CE2 3.36Å; H201-Y242 AromaticContact ND1-CZ 3.53Å; H201-Y242 PolarHBondContact ND1-OH 2.76Å
202S94.3Very high95.6Very high1 Ų142.7 Ų42.71%0.00723%0.228CC..Hα-helixtrans-61.9-43.7178.8-53.80000111.4T114 G198 F199 A200 Y206T114-S202 WeakPolarHBondContact OG1-CB 3.2Å; G198-S202 WeakPolarHBondContact O-CB 3.44Å; G198-S202 PolarHBondContact O-N 2.84Å; G198-S202 VanDerWaalsContact O-N 3.1Å; G198-S202 PolarHBondContact O-OG 2.78Å; F199-S202 PolarHBondContact O-N 3Å; A200-S202 VanDerWaalsContact C-N 3.3Å; A200-S202 PolarHBondContact O-N 3.4Å; S202-Y206 VanDerWaalsContact O-CB 3.26Å; S202-Y206 WeakPolarHBondContact O-CB 3.49Å; S202-Y206 PolarHBondContact O-N 2.68Å
203C97Very high95.7Very high0 Ų041 Ų410%022%0.218CC..Hα-helixtrans-64-44.5178-71.70000113F199 A200 H201 Y206 A207 L214 F234 A275F199-C203 WeakPolarHBondContact CE2-SG 3.48Å; F199-C203 PolarHBondContact O-N 3.03Å; F199-C203 PolarHBondContact O-SG 2.9Å; A200-C203 PolarHBondContact O-N 2.86Å; A200-C203 VanDerWaalsContact O-N 3.16Å; H201-C203 PolarHBondContact O-N 2.99Å; C203-Y206 PolarHBondContact O-N 2.83Å; C203-A207 WeakPolarHBondContact O-CB 3.4Å; C203-A207 PolarHBondContact O-N 3.14Å; C203-L214 HydrophobicContact CB-CD1 4.02Å; C203-L214 HydrophobicContact CB-CD2 3.95Å; C203-F234 HydrophobicContact CB-CE1 4.26Å; C203-A275 HydrophobicContact CB-CB 4.28Å
204F97.4Very high95.7Very high0 Ų037.4 Ų37.40%020%0.199CC..Hα-helixtrans-65.3-44.7177.9-70.9-60.5000112.2A200 H201 Y206 A207 I208 L214 F234 I237 F238 Y242 F246 Y253A200-F204 HydrophobicContact CB-CD2 4.44Å; A200-F204 HydrophobicContact CB-CE2 4.15Å; A200-F204 WeakPolarHBondContact O-CD2 2.97Å; A200-F204 PolarHBondContact O-N 3.19Å; H201-F204 PolarHBondContact O-N 3.04Å; F204-Y206 PolarHBondContact O-N 3.43Å; F204-A207 PolarHBondContact O-N 2.66Å; F204-I208 WeakPolarHBondContact O-CG1 3.34Å; F204-I208 PolarHBondContact O-N 2.66Å; F204-L214 HydrophobicContact CD1-CD2 3.42Å; F204-L214 VanDerWaalsContact CD1-CD2 3.42Å; F204-L214 HydrophobicContact CE1-CD2 3.51Å; F204-L214 HydrophobicContact CG-CD2 4.09Å; F204-L214 HydrophobicContact CZ-CD2 4.23Å; F204-F234 HydrophobicContact CE2-CD1 4.07Å; F204-F234 AromaticContact CZ-CD1 3.94Å; F204-F234 HydrophobicContact CZ-CD1 3.94Å; F204-F234 WeakPolarHBondContact CZ-O 3.25Å; F204-I237 HydrophobicContact CD2-CG2 3.8Å; F204-I237 HydrophobicContact CE2-CB 4.23Å; F204-I237 HydrophobicContact CE2-CG2 3.77Å; F204-F238 HydrophobicContact CD1-CD2 4.14Å; F204-F238 HydrophobicContact CE1-CB 3.93Å; F204-F238 AromaticContact CE1-CD2 3.59Å; F204-F238 HydrophobicContact CE1-CD2 3.59Å; F204-F238 HydrophobicContact CE1-CG 4.13Å; F204-F238 HydrophobicContact CE2-CB 4.29Å; F204-F238 HydrophobicContact CZ-CB 3.6Å; F204-F238 HydrophobicContact CZ-CD2 4.18Å; F204-F238 HydrophobicContact CZ-CG 4.3Å; F204-Y242 HydrophobicContact CB-CD1 3.74Å; F204-Y242 HydrophobicContact CB-CD2 3.58Å; F204-Y242 HydrophobicContact CB-CE1 3.82Å; F204-Y242 HydrophobicContact CB-CE2 3.69Å; F204-Y242 HydrophobicContact CB-CG 3.59Å; F204-Y242 HydrophobicContact CD1-CD2 4.38Å; F204-Y242 HydrophobicContact CD1-CG 4.4Å; F204-Y242 AromaticContact CD2-CD2 3.48Å; F204-Y242 HydrophobicContact CD2-CD2 3.48Å; F204-Y242 VanDerWaalsContact CD2-CD2 3.48Å; F204-Y242 AromaticContact CD2-CE2 3.68Å; F204-Y242 HydrophobicContact CD2-CE2 3.68Å; F204-Y242 HydrophobicContact CD2-CG 4.24Å; F204-Y242 HydrophobicContact CE2-CD2 4.28Å; F204-Y242 HydrophobicContact CG-CD1 4.48Å; F204-Y242 AromaticContact CG-CD2 3.57Å; F204-Y242 HydrophobicContact CG-CD2 3.57Å; F204-Y242 AromaticContact CG-CE2 3.97Å; F204-Y242 HydrophobicContact CG-CE2 3.97Å; F204-Y242 AromaticContact CG-CG 3.85Å; F204-Y242 HydrophobicContact CG-CG 3.85Å; F204-F246 HydrophobicContact CB-CE2 4.26Å; F204-F246 HydrophobicContact CB-CZ 4.48Å; F204-F246 HydrophobicContact CD1-CE1 4.44Å; F204-F246 AromaticContact CD1-CE2 3.89Å; F204-F246 HydrophobicContact CD1-CE2 3.89Å; F204-F246 AromaticContact CD1-CZ 3.65Å; F204-F246 HydrophobicContact CD1-CZ 3.65Å; F204-F246 HydrophobicContact CE1-CZ 4.48Å; F204-Y253 HydrophobicContact CE1-CD1 4.15Å; F204-Y253 AromaticContact CE1-CD2 3.81Å; F204-Y253 HydrophobicContact CE1-CD2 3.81Å; F204-Y253 HydrophobicContact CE1-CE2 4.48Å; F204-Y253 AromaticContact CE1-CG 3.64Å; F204-Y253 HydrophobicContact CE1-CG 3.64Å; F204-Y253 HydrophobicContact CZ-CD1 4.19Å; F204-Y253 HydrophobicContact CZ-CD2 4.13Å; F204-Y253 HydrophobicContact CZ-CE1 4.41Å; F204-Y253 HydrophobicContact CZ-CE2 4.37Å; F204-Y253 HydrophobicContact CZ-CG 4.06Å
205Q93.8Very high95.9Very high66 Ų6630 Ų3031%0.30816%0.164SC..Hα-helixtrans-62-43.4177-70.2168.47.300111.4H201 I208 G209 Y242H201-Q205 WeakPolarHBondContact O-CB 3.48Å; H201-Q205 WeakPolarHBondContact O-CG 3.41Å; H201-Q205 PolarHBondContact O-N 3.38Å; Q205-I208 PolarHBondContact O-N 3.34Å; Q205-G209 PolarHBondContact O-N 3.29Å; Q205-Y242 HydrophobicContact CG-CE1 4.08Å; Q205-Y242 PolarHBondContact NE2-OH 2.98Å
206Y93.8Very high96.2Very high44 Ų4428.8 Ų28.817%0.17316%0.155CC..Hα-helixtrans-63.6-44.6178.2-165.7-85.4000111.6F116 E118 T137 S202 C203 F204 I208 G209 K210 V273 V303F116-Y206 HydrophobicContact CB-CD2 4.42Å; F116-Y206 HydrophobicContact CB-CE2 3.99Å; F116-Y206 AromaticContact CD1-CD1 3.72Å; F116-Y206 HydrophobicContact CD1-CD1 3.72Å; F116-Y206 AromaticContact CD1-CD2 3.96Å; F116-Y206 HydrophobicContact CD1-CD2 3.96Å; F116-Y206 HydrophobicContact CD1-CE1 4.04Å; F116-Y206 HydrophobicContact CD1-CE2 4.23Å; F116-Y206 AromaticContact CD1-CG 3.69Å; F116-Y206 HydrophobicContact CD1-CG 3.69Å; F116-Y206 AromaticContact CD2-CD2 3.9Å; F116-Y206 HydrophobicContact CD2-CD2 3.9Å; F116-Y206 HydrophobicContact CD2-CE2 4.25Å; F116-Y206 HydrophobicContact CD2-CG 4.32Å; F116-Y206 AromaticContact CE1-CD1 3.88Å; F116-Y206 HydrophobicContact CE1-CD1 3.88Å; F116-Y206 HydrophobicContact CE1-CD2 4.18Å; F116-Y206 AromaticContact CE1-CG 3.63Å; F116-Y206 HydrophobicContact CE1-CG 3.63Å; F116-Y206 HydrophobicContact CE2-CD2 4.11Å; F116-Y206 HydrophobicContact CE2-CG 4.26Å; F116-Y206 HydrophobicContact CG-CD1 4.35Å; F116-Y206 AromaticContact CG-CD2 3.81Å; F116-Y206 HydrophobicContact CG-CD2 3.81Å; F116-Y206 HydrophobicContact CG-CE1 4.44Å; F116-Y206 AromaticContact CG-CE2 3.89Å; F116-Y206 HydrophobicContact CG-CE2 3.89Å; F116-Y206 HydrophobicContact CG-CG 4.05Å; F116-Y206 HydrophobicContact CZ-CD2 4.25Å; F116-Y206 AromaticContact CZ-CG 3.92Å; F116-Y206 HydrophobicContact CZ-CG 3.92Å; E118-Y206 PolarHBondContact OE2-OH 3.23Å; T137-Y206 HydrophobicContact CG2-CD1 4.39Å; T137-Y206 HydrophobicContact CG2-CE1 3.6Å; S202-Y206 VanDerWaalsContact O-CB 3.26Å; S202-Y206 WeakPolarHBondContact O-CB 3.49Å; S202-Y206 PolarHBondContact O-N 2.68Å; C203-Y206 PolarHBondContact O-N 2.83Å; F204-Y206 PolarHBondContact O-N 3.43Å; Y206-I208 PolarHBondContact O-N 2.95Å; Y206-G209 PolarHBondContact O-N 3.03Å; Y206-K210 HydrophobicContact CD1-CG 3.93Å; Y206-K210 HydrophobicContact CE1-CD 4.1Å; Y206-K210 HydrophobicContact CE1-CG 3.61Å; Y206-K210 WeakPolarHBondContact O-CG 3.35Å; Y206-K210 PolarHBondContact O-N 3.41Å; Y206-V273 HydrophobicContact CD1-CG1 4.4Å; Y206-V273 HydrophobicContact CD1-CG2 3.88Å; Y206-V273 HydrophobicContact CE1-CG2 4.37Å; Y206-V303 HydrophobicContact CD2-CG2 4.47Å
207A96.6Very high96.3Very high0 Ų028.6 Ų28.60%015%0.154CC..Hα-helixtrans-61.4-41.5176.500000112.7C203 F204 K210 K211 W212 L214 F246 V273C203-A207 WeakPolarHBondContact O-CB 3.4Å; C203-A207 PolarHBondContact O-N 3.14Å; F204-A207 PolarHBondContact O-N 2.66Å; A207-K210 CarbonylContact O-C 3.6Å; A207-K210 PolarHBondContact O-N 3.24Å; A207-K211 WeakPolarHBondContact O-CA 3.39Å; A207-K211 PolarHBondContact O-N 3.32Å; A207-W212 PolarHBondContact O-N 3.31Å; A207-L214 HydrophobicContact CB-CB 3.99Å; A207-F246 HydrophobicContact CB-CE1 4.47Å; A207-F246 HydrophobicContact CB-CZ 3.92Å; A207-V273 HydrophobicContact CB-CB 4.33Å; A207-V273 HydrophobicContact CB-CG2 4Å
208I96Very high96.4Very high39 Ų3926.3 Ų26.320%0.214%0.14CC..Hα-helixtrans-60.3-47.1172.5-75.6166.5000111F204 Q205 Y206 K210 K211 Y242 E245 F246 L249F204-I208 WeakPolarHBondContact O-CG1 3.34Å; F204-I208 PolarHBondContact O-N 2.66Å; Q205-I208 PolarHBondContact O-N 3.34Å; Y206-I208 PolarHBondContact O-N 2.95Å; I208-K210 VanDerWaalsContact C-N 3.26Å; I208-K210 PolarHBondContact O-N 3.2Å; I208-K211 PolarHBondContact O-N 2.76Å; I208-Y242 HydrophobicContact CD1-CD1 3.66Å; I208-Y242 HydrophobicContact CD1-CE1 4.26Å; I208-E245 HydrophobicContact CD1-CB 4.16Å; I208-E245 HydrophobicContact CD1-CG 4.03Å; I208-E245 HydrophobicContact CG1-CG 4.33Å; I208-E245 HydrophobicContact CG2-CG 4.24Å; I208-F246 HydrophobicContact CD1-CD2 3.92Å; I208-F246 HydrophobicContact CD1-CE2 3.66Å; I208-F246 HydrophobicContact CG1-CD2 3.81Å; I208-F246 HydrophobicContact CG1-CE2 3.47Å; I208-F246 VanDerWaalsContact CG1-CE2 3.47Å; I208-F246 HydrophobicContact CG1-CZ 4.32Å; I208-L249 HydrophobicContact CB-CD1 4.34Å; I208-L249 HydrophobicContact CG1-CD1 4.3Å; I208-L249 HydrophobicContact CG2-CD1 3.91Å
209G91.1Very high96.6Very high66 Ų6628.6 Ų28.668%0.6815%0.146SC*.Hα-helixtrans-59.2-37.6178.600000112.8Q205 Y206Q205-G209 PolarHBondContact O-N 3.29Å; Y206-G209 PolarHBondContact O-N 3.03Å
210K93.3Very high96.7Very high58 Ų5830 Ų3025%0.25215%0.153SC..Hα-helixtrans-81.2-14.6175.2-64.8-73.3-68.9-166.80113.6E118 Y206 A207 I208 W212E118-K210 IonicContact OE1-NZ 3.35Å; E118-K210 PolarHBondContact OE1-NZ 3.22Å; E118-K210 VanDerWaalsContact OE2-CE 3.31Å; E118-K210 WeakPolarHBondContact OE2-CE 3.3Å; E118-K210 IonicContact OE2-NZ 3.38Å; E118-K210 PolarHBondContact OE2-NZ 2.93Å; Y206-K210 HydrophobicContact CD1-CG 3.93Å; Y206-K210 HydrophobicContact CE1-CD 4.1Å; Y206-K210 HydrophobicContact CE1-CG 3.61Å; Y206-K210 WeakPolarHBondContact O-CG 3.35Å; Y206-K210 PolarHBondContact O-N 3.41Å; A207-K210 CarbonylContact O-C 3.6Å; A207-K210 PolarHBondContact O-N 3.24Å; I208-K210 VanDerWaalsContact C-N 3.26Å; I208-K210 PolarHBondContact O-N 3.2Å; K210-W212 HydrophobicContact CB-CB 4.1Å; K210-W212 HydrophobicContact CB-CD2 3.94Å; K210-W212 HydrophobicContact CB-CE3 4.2Å; K210-W212 HydrophobicContact CB-CG 3.9Å; K210-W212 VanDerWaalsContact CE-CH2 3.44Å; K210-W212 VanDerWaalsContact CE-CZ3 3.43Å; K210-W212 PolarHBondContact O-N 3.4Å
211K97.7Very high96.7Very high143 Ų14333 Ų3362%0.62217%0.172SC*.THydrogen-bonded Turntrans52.442.9-168.3-54.2178.3-178.1176.20111.6A207 I208 L249 I251A207-K211 WeakPolarHBondContact O-CA 3.39Å; A207-K211 PolarHBondContact O-N 3.32Å; I208-K211 PolarHBondContact O-N 2.76Å; K211-L249 HydrophobicContact CD-CD2 4.34Å; K211-L249 HydrophobicContact CG-CD2 4.25Å; K211-I251 WeakPolarHBondContact O-CG2 3.15Å
212W98.4Very high96.8Very high40 Ų4036.8 Ų36.815%0.15219%0.192CC..  trans-117.8150.9-178.7-73.1-4.1000111.2P135 T137 A207 K210 I251 A271 V273P135-W212 HydrophobicContact CB-CH2 3.82Å; P135-W212 HydrophobicContact CB-CZ3 4.37Å; P135-W212 HydrophobicContact CG-CH2 3.72Å; P135-W212 HydrophobicContact CG-CZ2 4.38Å; T137-W212 WeakPolarHBondContact OG1-CZ3 3.29Å; A207-W212 PolarHBondContact O-N 3.31Å; K210-W212 HydrophobicContact CB-CB 4.1Å; K210-W212 HydrophobicContact CB-CD2 3.94Å; K210-W212 HydrophobicContact CB-CE3 4.2Å; K210-W212 HydrophobicContact CB-CG 3.9Å; K210-W212 VanDerWaalsContact CE-CH2 3.44Å; K210-W212 VanDerWaalsContact CE-CZ3 3.43Å; K210-W212 PolarHBondContact O-N 3.4Å; W212-I251 WeakPolarHBondContact O-CD1 3.25Å; W212-A271 HydrophobicContact CD2-CB 4.43Å; W212-A271 HydrophobicContact CZ2-CB 4.43Å; W212-V273 HydrophobicContact CE3-CG2 4.5Å
213P98.7Very high97Very high17 Ų1740.5 Ų40.511%0.1121%0.212CC..  trans-62.6155170.228-34.7000111.7Y215 W252 A271 F272 V273P213-Y215 HydrophobicContact CB-CE2 4.42Å; P213-W252 WeakPolarHBondContact CA-O 3.47Å; P213-W252 HydrophobicContact CB-CD2 3.73Å; P213-W252 VanDerWaalsContact CB-CE2 3.49Å; P213-W252 HydrophobicContact CB-CE3 4.18Å; P213-W252 HydrophobicContact CB-CG 4.15Å; P213-W252 HydrophobicContact CB-CH2 4.22Å; P213-W252 HydrophobicContact CB-CZ2 3.77Å; P213-W252 HydrophobicContact CB-CZ3 4.4Å; P213-W252 HydrophobicContact CG-CH2 4.07Å; P213-W252 HydrophobicContact CG-CZ2 3.83Å; P213-A271 WeakPolarHBondContact CD-O 3.4Å; P213-F272 HydrophobicContact CG-CB 3.95Å; P213-F272 WeakPolarHBondContact O-CA 3.47Å; P213-V273 PolarHBondContact O-N 3Å
214L98.9Very high97Very high0 Ų048 Ų480%024%0.244CC..EExtended strand (participates in β ladder)trans-117.7130.2179.7177.366000110.6C203 F204 A207 F246 W252 Y253 E254 V273 A275C203-L214 HydrophobicContact CB-CD1 4.02Å; C203-L214 HydrophobicContact CB-CD2 3.95Å; F204-L214 HydrophobicContact CD1-CD2 3.42Å; F204-L214 VanDerWaalsContact CD1-CD2 3.42Å; F204-L214 HydrophobicContact CE1-CD2 3.51Å; F204-L214 HydrophobicContact CG-CD2 4.09Å; F204-L214 HydrophobicContact CZ-CD2 4.23Å; A207-L214 HydrophobicContact CB-CB 3.99Å; L214-F246 HydrophobicContact CB-CE1 4.2Å; L214-F246 HydrophobicContact CB-CZ 4.43Å; L214-W252 PolarHBondContact N-O 2.86Å; L214-Y253 HydrophobicContact CB-CD2 4.41Å; L214-Y253 HydrophobicContact CD2-CD2 4.06Å; L214-Y253 HydrophobicContact CG-CD2 4.1Å; L214-Y253 CarbonylContact O-C 3.56Å; L214-Y253 VanDerWaalsContact O-CA 3.29Å; L214-Y253 WeakPolarHBondContact O-CA 3.38Å; L214-E254 PolarHBondContact O-N 3.27Å; L214-V273 WeakPolarHBondContact CA-O 3.31Å; L214-V273 HydrophobicContact CD1-CB 3.71Å; L214-V273 HydrophobicContact CD1-CG1 3.57Å; L214-A275 HydrophobicContact CD1-CB 4.15Å
215Y98.9Very high97Very high17 Ų1752 Ų527%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-114.3140.5169.9-65.3-83.7000110.4P213 W252 E254 R256 M261 Q264 F272 V273 W274 A275P213-Y215 HydrophobicContact CB-CE2 4.42Å; Y215-W252 AromaticContact CE1-NE1 3.94Å; Y215-W252 AromaticContact CZ-NE1 3.47Å; Y215-W252 PolarHBondContact OH-NE1 2.85Å; Y215-E254 CarbonylContact C-O 3.54Å; Y215-E254 VanDerWaalsContact CA-O 3.28Å; Y215-E254 WeakPolarHBondContact CA-O 3.39Å; Y215-E254 HydrophobicContact CD1-CB 3.84Å; Y215-E254 HydrophobicContact CE1-CB 3.85Å; Y215-E254 HydrophobicContact CE1-CG 4.5Å; Y215-R256 HydrophobicContact CD1-CG 4.4Å; Y215-M261 VanDerWaalsContact CB-CE 3.44Å; Y215-M261 HydrophobicContact CD1-CE 4.49Å; Y215-M261 HydrophobicContact CD1-SD 4.24Å; Y215-M261 HydrophobicContact CD2-CE 3.97Å; Y215-M261 HydrophobicContact CG-CE 3.72Å; Y215-M261 HydrophobicContact CG-SD 4.02Å; Y215-Q264 PolarHBondContact OH-NE2 3.41Å; Y215-F272 HydrophobicContact CD2-CB 3.95Å; Y215-F272 AromaticContact CD2-CD2 3.82Å; Y215-F272 HydrophobicContact CD2-CD2 3.82Å; Y215-F272 AromaticContact CD2-CG 3.98Å; Y215-F272 HydrophobicContact CD2-CG 3.98Å; Y215-F272 HydrophobicContact CE2-CB 3.95Å; Y215-F272 HydrophobicContact CE2-CD2 4.37Å; Y215-F272 HydrophobicContact CE2-CG 4.09Å; Y215-V273 PolarHBondContact N-O 3.43Å; Y215-W274 CarbonylContact O-C 3.55Å; Y215-W274 WeakPolarHBondContact O-CA 3.42Å; Y215-A275 PolarHBondContact O-N 2.85Å
216M98.8Very high97.3Very high1 Ų151.7 Ų51.71%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-121.2128.6170-169.2-80.8-78.900110T218 F230 K231 F234 Y253 E254 H255 R256 A275M216-T218 HydrophobicContact CE-CG2 3.79Å; M216-T218 HydrophobicContact SD-CG2 3.29Å; M216-T218 WeakPolarHBondContact SD-CG2 3.27Å; M216-F230 HydrophobicContact CE-CB 4.09Å; M216-K231 VanDerWaalsContact CE-CA 3.49Å; M216-K231 HydrophobicContact CE-CB 4.27Å; M216-F234 HydrophobicContact CB-CD1 4.04Å; M216-F234 HydrophobicContact CB-CE1 4.13Å; M216-F234 HydrophobicContact CE-CB 4.18Å; M216-F234 HydrophobicContact CE-CD2 4.1Å; M216-F234 HydrophobicContact CE-CG 4.07Å; M216-F234 HydrophobicContact CG-CD1 3.96Å; M216-F234 HydrophobicContact CG-CD2 4.32Å; M216-F234 HydrophobicContact CG-CE1 3.83Å; M216-F234 HydrophobicContact CG-CE2 4.2Å; M216-F234 HydrophobicContact CG-CG 4.2Å; M216-F234 HydrophobicContact CG-CZ 3.96Å; M216-Y253 HydrophobicContact CB-CE2 3.88Å; M216-E254 PolarHBondContact N-O 3.42Å; M216-H255 CarbonylContact O-C 3.49Å; M216-H255 WeakPolarHBondContact O-CA 3.22Å; M216-H255 PolarHBondContact O-CD2 2.87Å; M216-R256 PolarHBondContact O-N 2.82Å; M216-A275 WeakPolarHBondContact CA-O 3.48Å; M216-A275 HydrophobicContact CB-CB 4Å; M216-A275 HydrophobicContact CG-CB 3.88Å
217S98.8Very high97.5Very high0 Ų049.7 Ų49.70%027%0.267CS..EExtended strand (participates in β ladder)trans-111.2136.9-17659.60000113.4R256 I258 W274 A275S217-R256 VanDerWaalsContact CA-O 3.3Å; S217-R256 WeakPolarHBondContact CA-O 3.44Å; S217-I258 WeakPolarHBondContact OG-CD1 3.43Å; S217-W274 PolarHBondContact OG-NE1 3.13Å; S217-A275 PolarHBondContact N-O 3.29Å; S217-A275 VanDerWaalsContact N-O 3.17Å
218T98.8Very high97.6Very high0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-143.9179174.272.10000111.8M216 N220 D227 F230 H255 R256 L257 I258M216-T218 HydrophobicContact CE-CG2 3.79Å; M216-T218 HydrophobicContact SD-CG2 3.29Å; M216-T218 WeakPolarHBondContact SD-CG2 3.27Å; T218-N220 PolarHBondContact OG1-N 3.18Å; T218-D227 HydrophobicContact CG2-CB 4.42Å; T218-F230 HydrophobicContact CG2-CB 4.16Å; T218-H255 PolarHBondContact OG1-NE2 3.08Å; T218-R256 PolarHBondContact N-O 2.82Å; T218-R256 VanDerWaalsContact N-O 3.15Å; T218-L257 CarbonylContact O-C 3.56Å; T218-L257 WeakPolarHBondContact O-CA 3.21Å; T218-I258 PolarHBondContact O-N 3.27Å
219K98.4Very high97.7Very high62 Ų6252.8 Ų52.827%0.2728%0.278SS..  trans-114.146.5163.6-155.775.6-171.2-179.80112.3T221 I222 L223 D227 I258 D259K219-T221 PolarHBondContact O-N 2.68Å; K219-T221 VanDerWaalsContact O-N 3.07Å; K219-I222 HydrophobicContact CG-CB 4.05Å; K219-I222 HydrophobicContact CG-CG1 3.82Å; K219-I222 PolarHBondContact O-N 2.98Å; K219-L223 PolarHBondContact O-N 3.48Å; K219-D227 WeakPolarHBondContact CA-OD2 3.46Å; K219-D227 PolarHBondContact N-OD2 3.39Å; K219-I258 HydrophobicContact CB-CG2 4.29Å; K219-I258 HydrophobicContact CD-CG2 3.69Å; K219-D259 IonicContact NZ-OD1 2.75Å; K219-D259 PolarHBondContact NZ-OD1 3.23Å; K219-D259 IonicContact NZ-OD2 2.77Å; K219-D259 PolarHBondContact NZ-OD2 2.89Å
220N97.8Very high98.1Very high32 Ų3249.7 Ų49.717%0.17125%0.246CC..THydrogen-bonded Turntrans-62.5-14.2-17879-49.9000115.3T218 I222 K224 D227 H255 L257T218-N220 PolarHBondContact OG1-N 3.18Å; N220-I222 VanDerWaalsContact C-N 3.26Å; N220-I222 PolarHBondContact O-N 2.88Å; N220-K224 WeakPolarHBondContact O-CA 3.46Å; N220-D227 HydrophobicContact CB-CB 3.85Å; N220-H255 PolarHBondContact OD1-CE1 2.94Å; N220-L257 WeakPolarHBondContact OD1-CD2 3.43Å
221T96Very high98.4Very high63 Ų6350.4 Ų50.439%0.38725%0.249SC..THydrogen-bonded Turntrans-66.1-30.6169.545.10000112.5K219 K224 L257K219-T221 PolarHBondContact O-N 2.68Å; K219-T221 VanDerWaalsContact O-N 3.07Å; T221-K224 PolarHBondContact O-NZ 3.02Å; T221-L257 HydrophobicContact CG2-CD1 3.8Å; T221-L257 HydrophobicContact CG2-CD2 3.84Å; T221-L257 HydrophobicContact CG2-CG 4.47Å
222I98.2Very high98.4Very high123 Ų12347.4 Ų47.463%0.63124%0.24SC*.THydrogen-bonded Turntrans-97.6-58.1178.1-55.7-57.4000110.1K219 N220 K224K219-I222 HydrophobicContact CG-CB 4.05Å; K219-I222 HydrophobicContact CG-CG1 3.82Å; K219-I222 PolarHBondContact O-N 2.98Å; N220-I222 VanDerWaalsContact C-N 3.26Å; N220-I222 PolarHBondContact O-N 2.88Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 3.07Å
223L97.8Very high98.4Very high80 Ų8045.9 Ų45.942%0.41923%0.234SC..SBendtrans-87.765.2179.6-63.9-178.8000110.9K219 A225 Y226 D227 G228K219-L223 PolarHBondContact O-N 3.48Å; L223-A225 VanDerWaalsContact C-N 3.31Å; L223-A225 PolarHBondContact O-N 3.25Å; L223-Y226 PolarHBondContact O-N 2.86Å; L223-D227 HydrophobicContact CB-CB 3.96Å; L223-D227 WeakPolarHBondContact O-CB 3.46Å; L223-D227 PolarHBondContact O-N 2.84Å; L223-G228 PolarHBondContact O-N 3.33Å
224K97.9Very high98.4Very high156 Ų15645.1 Ų45.168%0.67823%0.229SC*.THydrogen-bonded Turntrans-55-41-169.1-59.8-174.2-171.3-58.50114.2N220 T221 I222 G228N220-K224 WeakPolarHBondContact O-CA 3.46Å; T221-K224 PolarHBondContact O-NZ 3.02Å; I222-K224 VanDerWaalsContact C-N 3.28Å; I222-K224 PolarHBondContact O-N 3.07Å; K224-G228 WeakPolarHBondContact O-CA 3.33Å; K224-G228 PolarHBondContact O-N 3Å
225A98.4Very high98.4Very high86 Ų8648.3 Ų48.371%0.71124%0.244SC*.THydrogen-bonded Turntrans-81.6-54.8177.100000111.7L223 R229L223-A225 VanDerWaalsContact C-N 3.31Å; L223-A225 PolarHBondContact O-N 3.25Å; A225-R229 PolarHBondContact O-N 2.75Å
226Y98.8Very high98.4Very high58 Ų5852.4 Ų52.423%0.22727%0.267CS..Hα-helixtrans-63.3-54.9-172.5-164.2-77.8000112.3D145 M189 Y190 N191 L223 R229 F230D145-Y226 WeakPolarHBondContact OD1-CE1 3.29Å; D145-Y226 PolarHBondContact OD1-OH 2.84Å; M189-Y226 HydrophobicContact CG-CE2 4.3Å; Y190-Y226 PolarHBondContact O-OH 2.83Å; N191-Y226 PolarHBondContact N-OH 2.94Å; L223-Y226 PolarHBondContact O-N 2.86Å; Y226-R229 WeakPolarHBondContact O-CB 3.43Å; Y226-R229 PolarHBondContact O-N 2.68Å; Y226-F230 HydrophobicContact CD1-CE2 4.34Å; Y226-F230 HydrophobicContact CE1-CE2 4.03Å
227D98.6Very high98.4Very high3 Ų353 Ų532%0.01627%0.27CS..Hα-helixtrans-80.8-24.5-179.9-8023000112T218 K219 N220 L223 R229 F230 K231 K277T218-D227 HydrophobicContact CG2-CB 4.42Å; K219-D227 WeakPolarHBondContact CA-OD2 3.46Å; K219-D227 PolarHBondContact N-OD2 3.39Å; N220-D227 HydrophobicContact CB-CB 3.85Å; L223-D227 HydrophobicContact CB-CB 3.96Å; L223-D227 WeakPolarHBondContact O-CB 3.46Å; L223-D227 PolarHBondContact O-N 2.84Å; D227-R229 VanDerWaalsContact C-N 3.25Å; D227-R229 PolarHBondContact O-N 2.87Å; D227-F230 PolarHBondContact O-N 2.93Å; D227-K231 PolarHBondContact O-N 3.15Å; D227-K277 WeakPolarHBondContact OD1-CE 3.47Å; D227-K277 IonicContact OD1-NZ 2.76Å; D227-K277 PolarHBondContact OD1-NZ 3.31Å; D227-K277 IonicContact OD2-NZ 3.84Å
228G98.7Very high98.4Very high7 Ų753.8 Ų53.87%0.07227%0.274CS..Hα-helixtrans-57.4-4116800000111.5L223 K224 F230 K231 D232L223-G228 PolarHBondContact O-N 3.33Å; K224-G228 WeakPolarHBondContact O-CA 3.33Å; K224-G228 PolarHBondContact O-N 3Å; G228-F230 VanDerWaalsContact C-N 3.33Å; G228-F230 PolarHBondContact O-N 3.36Å; G228-K231 WeakPolarHBondContact O-CB 3.4Å; G228-K231 PolarHBondContact O-N 3.43Å; G228-K231 VanDerWaalsContact O-N 3.12Å; G228-D232 PolarHBondContact O-N 3.27Å
229R98.8Very high98.4Very high97 Ų9758.6 Ų58.637%0.36630%0.296SS..Hα-helixtrans-60.8-39.9179-166.667.7-173.4132.4-4.2113.1D193 A225 Y226 D227 I233D193-R229 VanDerWaalsContact CG-NE 3.35Å; D193-R229 WeakPolarHBondContact OD1-CG 3.45Å; D193-R229 IonicContact OD1-CZ 3Å; D193-R229 IonicContact OD1-NE 3.82Å; D193-R229 PolarHBondContact OD1-NE 3.19Å; D193-R229 IonicContact OD1-NH2 3.62Å; D193-R229 IonicContact OD2-CZ 2.72Å; D193-R229 IonicContact OD2-NE 3.62Å; D193-R229 PolarHBondContact OD2-NE 3.37Å; D193-R229 IonicContact OD2-NH2 2.75Å; D193-R229 PolarHBondContact OD2-NH2 3.19Å; A225-R229 PolarHBondContact O-N 2.75Å; Y226-R229 WeakPolarHBondContact O-CB 3.43Å; Y226-R229 PolarHBondContact O-N 2.68Å; D227-R229 VanDerWaalsContact C-N 3.25Å; D227-R229 PolarHBondContact O-N 2.87Å; R229-I233 HydrophobicContact CG-CD1 3.88Å; R229-I233 HydrophobicContact CG-CG1 4.48Å; R229-I233 WeakPolarHBondContact O-CB 3.34Å; R229-I233 VanDerWaalsContact O-CG1 3.28Å; R229-I233 WeakPolarHBondContact O-CG1 3.3Å; R229-I233 PolarHBondContact O-N 3.06Å
230F98.8Very high98.4Very high1 Ų163.3 Ų63.30%0.00432%0.317CS..Hα-helixtrans-60.6-49.4173.1-82-101.2000111.8H141 N191 I196 M216 T218 Y226 D227 G228 D232 F234 K277H141-F230 AromaticContact CE1-CE1 3.71Å; H141-F230 AromaticContact CE1-CZ 3.73Å; H141-F230 AromaticContact ND1-CE1 3.24Å; H141-F230 WeakPolarHBondContact ND1-CE1 3.44Å; H141-F230 AromaticContact ND1-CZ 3.43Å; H141-F230 WeakPolarHBondContact ND1-CZ 3.4Å; N191-F230 HydrophobicContact CB-CE2 4.39Å; N191-F230 HydrophobicContact CB-CZ 4.45Å; I196-F230 HydrophobicContact CD1-CD1 4.37Å; I196-F230 HydrophobicContact CD1-CD2 3.78Å; I196-F230 HydrophobicContact CD1-CE1 4.2Å; I196-F230 HydrophobicContact CD1-CE2 3.57Å; I196-F230 HydrophobicContact CD1-CG 4.19Å; I196-F230 HydrophobicContact CD1-CZ 3.81Å; I196-F230 HydrophobicContact CG1-CD1 4.17Å; I196-F230 HydrophobicContact CG1-CD2 4.4Å; I196-F230 HydrophobicContact CG1-CE1 3.77Å; I196-F230 HydrophobicContact CG1-CE2 4.02Å; I196-F230 HydrophobicContact CG1-CG 4.48Å; I196-F230 HydrophobicContact CG1-CZ 3.69Å; I196-F230 HydrophobicContact CG2-CD1 3.81Å; I196-F230 HydrophobicContact CG2-CE1 4.18Å; I196-F230 HydrophobicContact CG2-CG 4.17Å; M216-F230 HydrophobicContact CE-CB 4.09Å; T218-F230 HydrophobicContact CG2-CB 4.16Å; Y226-F230 HydrophobicContact CD1-CE2 4.34Å; Y226-F230 HydrophobicContact CE1-CE2 4.03Å; D227-F230 PolarHBondContact O-N 2.93Å; G228-F230 VanDerWaalsContact C-N 3.33Å; G228-F230 PolarHBondContact O-N 3.36Å; F230-D232 PolarHBondContact O-N 3.06Å; F230-F234 VanDerWaalsContact O-CD2 3.3Å; F230-F234 WeakPolarHBondContact O-CD2 3.39Å; F230-F234 PolarHBondContact O-N 3.33Å; F230-K277 HydrophobicContact CD1-CG 4.26Å; F230-K277 HydrophobicContact CE1-CG 4.1Å; F230-K277 HydrophobicContact CZ-CG 4.37Å
231K98.8Very high98.4Very high73 Ų7366.3 Ų66.332%0.31733%0.329SS..Hα-helixtrans-57.7-49.3178.8-179.5-171173.8-1720111.3M216 D227 G228 F234 Q235 H255M216-K231 VanDerWaalsContact CE-CA 3.49Å; M216-K231 HydrophobicContact CE-CB 4.27Å; D227-K231 PolarHBondContact O-N 3.15Å; G228-K231 WeakPolarHBondContact O-CB 3.4Å; G228-K231 PolarHBondContact O-N 3.43Å; G228-K231 VanDerWaalsContact O-N 3.12Å; K231-F234 PolarHBondContact O-N 3.22Å; K231-Q235 WeakPolarHBondContact O-CB 3.19Å; K231-Q235 PolarHBondContact O-N 3.25Å; K231-H255 HydrophobicContact CG-CB 4.28Å
232D98.8Very high98.5Very high80 Ų8064.4 Ų64.443%0.42832%0.315SS..Hα-helixtrans-65.3-46.9-175.6-63-15.2000111G228 F230 F234 Q235 D236G228-D232 PolarHBondContact O-N 3.27Å; F230-D232 PolarHBondContact O-N 3.06Å; D232-F234 PolarHBondContact O-N 2.59Å; D232-Q235 PolarHBondContact O-N 3.41Å; D232-D236 WeakPolarHBondContact O-CB 3.48Å; D232-D236 VanDerWaalsContact O-CG 3.32Å; D232-D236 PolarHBondContact O-N 2.55Å
233I98.8Very high98.5Very high8 Ų861.8 Ų61.84%0.04130%0.299CS..Hα-helixtrans-60.2-45.3177.8-71172.5000111.4D193 I196 R229 Q235 D236 I237D193-I233 HydrophobicContact CB-CD1 4.08Å; I196-I233 HydrophobicContact CB-CD1 3.96Å; I196-I233 HydrophobicContact CD1-CD1 4.26Å; I196-I233 HydrophobicContact CG2-CB 4Å; I196-I233 HydrophobicContact CG2-CD1 3.83Å; I196-I233 HydrophobicContact CG2-CG2 3.86Å; R229-I233 HydrophobicContact CG-CD1 3.88Å; R229-I233 HydrophobicContact CG-CG1 4.48Å; R229-I233 WeakPolarHBondContact O-CB 3.34Å; R229-I233 VanDerWaalsContact O-CG1 3.28Å; R229-I233 WeakPolarHBondContact O-CG1 3.3Å; R229-I233 PolarHBondContact O-N 3.06Å; I233-Q235 VanDerWaalsContact C-N 3.33Å; I233-Q235 PolarHBondContact O-N 3.46Å; I233-D236 PolarHBondContact O-N 3.47Å; I233-I237 HydrophobicContact CG2-CD1 3.59Å; I233-I237 HydrophobicContact CG2-CG1 4.44Å; I233-I237 WeakPolarHBondContact O-CB 3.22Å; I233-I237 VanDerWaalsContact O-CG1 3.28Å; I233-I237 WeakPolarHBondContact O-CG1 3.42Å; I233-I237 PolarHBondContact O-N 2.91Å
234F98.8Very high98.5Very high0 Ų062.3 Ų62.30%031%0.307CS..Hα-helixtrans-62.2-41.8177.4-92.3-110.2000111.9I196 F199 A200 C203 F204 M216 F230 K231 D232 F238 Y253 A275I196-F234 HydrophobicContact CG2-CE2 4.42Å; F199-F234 AromaticContact CD1-CE2 3.48Å; F199-F234 HydrophobicContact CD1-CE2 3.48Å; F199-F234 VanDerWaalsContact CD1-CE2 3.48Å; F199-F234 AromaticContact CD1-CZ 3.42Å; F199-F234 HydrophobicContact CD1-CZ 3.42Å; F199-F234 VanDerWaalsContact CD1-CZ 3.42Å; F199-F234 AromaticContact CE1-CE2 3.69Å; F199-F234 HydrophobicContact CE1-CE2 3.69Å; F199-F234 AromaticContact CE1-CZ 3.35Å; F199-F234 HydrophobicContact CE1-CZ 3.35Å; F199-F234 HydrophobicContact CG-CE2 4.48Å; F199-F234 HydrophobicContact CG-CZ 4.23Å; F199-F234 HydrophobicContact CZ-CZ 4.13Å; A200-F234 VanDerWaalsContact CA-CZ 3.43Å; A200-F234 HydrophobicContact CB-CD1 4.05Å; A200-F234 HydrophobicContact CB-CD2 3.68Å; A200-F234 HydrophobicContact CB-CE1 3.95Å; A200-F234 HydrophobicContact CB-CE2 3.57Å; A200-F234 HydrophobicContact CB-CG 3.93Å; A200-F234 HydrophobicContact CB-CZ 3.71Å; C203-F234 HydrophobicContact CB-CE1 4.26Å; F204-F234 HydrophobicContact CE2-CD1 4.07Å; F204-F234 AromaticContact CZ-CD1 3.94Å; F204-F234 HydrophobicContact CZ-CD1 3.94Å; F204-F234 WeakPolarHBondContact CZ-O 3.25Å; M216-F234 HydrophobicContact CB-CD1 4.04Å; M216-F234 HydrophobicContact CB-CE1 4.13Å; M216-F234 HydrophobicContact CE-CB 4.18Å; M216-F234 HydrophobicContact CE-CD2 4.1Å; M216-F234 HydrophobicContact CE-CG 4.07Å; M216-F234 HydrophobicContact CG-CD1 3.96Å; M216-F234 HydrophobicContact CG-CD2 4.32Å; M216-F234 HydrophobicContact CG-CE1 3.83Å; M216-F234 HydrophobicContact CG-CE2 4.2Å; M216-F234 HydrophobicContact CG-CG 4.2Å; M216-F234 HydrophobicContact CG-CZ 3.96Å; F230-F234 VanDerWaalsContact O-CD2 3.3Å; F230-F234 WeakPolarHBondContact O-CD2 3.39Å; F230-F234 PolarHBondContact O-N 3.33Å; K231-F234 PolarHBondContact O-N 3.22Å; D232-F234 PolarHBondContact O-N 2.59Å; F234-F238 VanDerWaalsContact O-CB 3.3Å; F234-F238 WeakPolarHBondContact O-CB 3.4Å; F234-F238 PolarHBondContact O-N 2.79Å; F234-Y253 HydrophobicContact CB-CE1 4.41Å; F234-Y253 HydrophobicContact CB-CE2 4.45Å; F234-Y253 WeakPolarHBondContact CB-OH 3.09Å; F234-Y253 AromaticContact CD1-CE2 4Å; F234-Y253 HydrophobicContact CD1-CE2 4Å; F234-A275 HydrophobicContact CE1-CB 4Å; F234-A275 HydrophobicContact CZ-CB 4.18Å
235Q98.8Very high98.5Very high67 Ų6758 Ų5831%0.31329%0.29SS..Hα-helixtrans-64.6-48.3178.9-169.666.644.700111.2K231 D232 I233 I237 F238 E239K231-Q235 WeakPolarHBondContact O-CB 3.19Å; K231-Q235 PolarHBondContact O-N 3.25Å; D232-Q235 PolarHBondContact O-N 3.41Å; I233-Q235 VanDerWaalsContact C-N 3.33Å; I233-Q235 PolarHBondContact O-N 3.46Å; Q235-I237 VanDerWaalsContact C-N 3.32Å; Q235-I237 PolarHBondContact O-N 3.07Å; Q235-F238 PolarHBondContact O-N 3.1Å; Q235-E239 PolarHBondContact NE2-OE1 3.43Å; Q235-E239 WeakPolarHBondContact O-CG 3.32Å; Q235-E239 PolarHBondContact O-N 2.86Å
236D98.7Very high98.5Very high104 Ų10453.9 Ų53.956%0.55626%0.256SS*.Hα-helixtrans-59.4-44-179.9-72.6-14.6000111.3D232 I233 K240D232-D236 WeakPolarHBondContact O-CB 3.48Å; D232-D236 VanDerWaalsContact O-CG 3.32Å; D232-D236 PolarHBondContact O-N 2.55Å; I233-D236 PolarHBondContact O-N 3.47Å; D236-K240 WeakPolarHBondContact O-CB 3.23Å; D236-K240 PolarHBondContact O-N 3.21Å; D236-K240 VanDerWaalsContact O-N 3.1Å
237I98.4Very high98.5Very high14 Ų1455.3 Ų55.37%0.07227%0.267CS..Hα-helixtrans-66.4-42.7177.7-71169.3000111.2T197 A200 F204 I233 Q235 K240 H241 Y242T197-I237 HydrophobicContact CG2-CD1 3.83Å; A200-I237 HydrophobicContact CB-CD1 3.69Å; F204-I237 HydrophobicContact CD2-CG2 3.8Å; F204-I237 HydrophobicContact CE2-CB 4.23Å; F204-I237 HydrophobicContact CE2-CG2 3.77Å; I233-I237 HydrophobicContact CG2-CD1 3.59Å; I233-I237 HydrophobicContact CG2-CG1 4.44Å; I233-I237 WeakPolarHBondContact O-CB 3.22Å; I233-I237 VanDerWaalsContact O-CG1 3.28Å; I233-I237 WeakPolarHBondContact O-CG1 3.42Å; I233-I237 PolarHBondContact O-N 2.91Å; Q235-I237 VanDerWaalsContact C-N 3.32Å; Q235-I237 PolarHBondContact O-N 3.07Å; I237-K240 PolarHBondContact O-N 3.4Å; I237-H241 WeakPolarHBondContact O-CB 3.37Å; I237-H241 PolarHBondContact O-N 2.66Å; I237-Y242 HydrophobicContact CG2-CD2 3.71Å; I237-Y242 HydrophobicContact CG2-CE2 3.49Å; I237-Y242 VanDerWaalsContact CG2-CE2 3.49Å
238F98.8Very high98.5Very high16 Ų1662 Ų627%0.0730%0.296CS..Iπ-helixtrans-57.9-54.5178.5177.5-113.1000111.4F204 F234 Q235 K240 Y242 K243 F246 Y253F204-F238 HydrophobicContact CD1-CD2 4.14Å; F204-F238 HydrophobicContact CE1-CB 3.93Å; F204-F238 AromaticContact CE1-CD2 3.59Å; F204-F238 HydrophobicContact CE1-CD2 3.59Å; F204-F238 HydrophobicContact CE1-CG 4.13Å; F204-F238 HydrophobicContact CE2-CB 4.29Å; F204-F238 HydrophobicContact CZ-CB 3.6Å; F204-F238 HydrophobicContact CZ-CD2 4.18Å; F204-F238 HydrophobicContact CZ-CG 4.3Å; F234-F238 VanDerWaalsContact O-CB 3.3Å; F234-F238 WeakPolarHBondContact O-CB 3.4Å; F234-F238 PolarHBondContact O-N 2.79Å; Q235-F238 PolarHBondContact O-N 3.1Å; F238-K240 VanDerWaalsContact C-N 3.32Å; F238-K240 PolarHBondContact O-N 3.29Å; F238-Y242 PolarHBondContact O-N 2.91Å; F238-K243 HydrophobicContact CD1-CB 4.32Å; F238-K243 HydrophobicContact CE1-CB 3.93Å; F238-K243 HydrophobicContact CE1-CD 4.19Å; F238-K243 HydrophobicContact CE1-CG 3.87Å; F238-K243 HydrophobicContact CE2-CB 4.24Å; F238-K243 HydrophobicContact CZ-CB 3.89Å; F238-K243 HydrophobicContact CZ-CG 3.86Å; F238-K243 PolarHBondContact O-N 3.31Å; F238-F246 HydrophobicContact CE2-CB 3.94Å; F238-F246 AromaticContact CE2-CD1 3.87Å; F238-F246 HydrophobicContact CE2-CD1 3.87Å; F238-F246 HydrophobicContact CE2-CD2 4.19Å; F238-F246 HydrophobicContact CE2-CE1 4.45Å; F238-F246 AromaticContact CE2-CG 3.74Å; F238-F246 HydrophobicContact CE2-CG 3.74Å; F238-F246 HydrophobicContact CZ-CB 4.36Å; F238-Y253 HydrophobicContact CB-CD1 3.81Å; F238-Y253 HydrophobicContact CB-CE1 4.3Å; F238-Y253 AromaticContact CD1-CD1 3.84Å; F238-Y253 HydrophobicContact CD1-CD1 3.84Å; F238-Y253 HydrophobicContact CD2-CD1 4.09Å; F238-Y253 HydrophobicContact CD2-CG 4.17Å; F238-Y253 HydrophobicContact CE1-CD1 4.44Å; F238-Y253 AromaticContact CG-CD1 3.63Å; F238-Y253 HydrophobicContact CG-CD1 3.63Å; F238-Y253 HydrophobicContact CG-CG 4.19Å
239E98.6Very high98.5Very high100 Ų10063.8 Ų63.847%0.46730%0.304SS..Iπ-helixtrans-60.9-42.2-178.2-67-60.1155.100111.6Q235 K243Q235-E239 PolarHBondContact NE2-OE1 3.43Å; Q235-E239 WeakPolarHBondContact O-CG 3.32Å; Q235-E239 PolarHBondContact O-N 2.86Å; E239-K243 VanDerWaalsContact OE2-CD 3.31Å; E239-K243 WeakPolarHBondContact OE2-CD 3.37Å
240K98.3Very high98.5Very high161 Ų16168 Ų6870%0.733%0.325SS*.Iπ-helixtrans-76.4-35.4-175.4-173.9176.4172.3-170.50113.8D236 I237 F238D236-K240 WeakPolarHBondContact O-CB 3.23Å; D236-K240 PolarHBondContact O-N 3.21Å; D236-K240 VanDerWaalsContact O-N 3.1Å; I237-K240 PolarHBondContact O-N 3.4Å; F238-K240 VanDerWaalsContact C-N 3.32Å; F238-K240 PolarHBondContact O-N 3.29Å
241H97.1Very high98.5Very high95 Ų9568.6 Ų68.644%0.4433%0.328SS..Iπ-helixtrans-122-30-165.2-64.5-71.5000115.2I237I237-H241 WeakPolarHBondContact O-CB 3.37Å; I237-H241 PolarHBondContact O-N 2.66Å
242Y98Very high98.5Very high24 Ų2471 Ų719%0.09434%0.335CS..Iπ-helixtrans-122.7-23.9-163.2-65.6-71.8000114.9H201 F204 Q205 I208 I237 F238 P244 E245 F246H201-Y242 AromaticContact ND1-CE2 3.42Å; H201-Y242 WeakPolarHBondContact ND1-CE2 3.36Å; H201-Y242 AromaticContact ND1-CZ 3.53Å; H201-Y242 PolarHBondContact ND1-OH 2.76Å; F204-Y242 HydrophobicContact CB-CD1 3.74Å; F204-Y242 HydrophobicContact CB-CD2 3.58Å; F204-Y242 HydrophobicContact CB-CE1 3.82Å; F204-Y242 HydrophobicContact CB-CE2 3.69Å; F204-Y242 HydrophobicContact CB-CG 3.59Å; F204-Y242 HydrophobicContact CD1-CD2 4.38Å; F204-Y242 HydrophobicContact CD1-CG 4.4Å; F204-Y242 AromaticContact CD2-CD2 3.48Å; F204-Y242 HydrophobicContact CD2-CD2 3.48Å; F204-Y242 VanDerWaalsContact CD2-CD2 3.48Å; F204-Y242 AromaticContact CD2-CE2 3.68Å; F204-Y242 HydrophobicContact CD2-CE2 3.68Å; F204-Y242 HydrophobicContact CD2-CG 4.24Å; F204-Y242 HydrophobicContact CE2-CD2 4.28Å; F204-Y242 HydrophobicContact CG-CD1 4.48Å; F204-Y242 AromaticContact CG-CD2 3.57Å; F204-Y242 HydrophobicContact CG-CD2 3.57Å; F204-Y242 AromaticContact CG-CE2 3.97Å; F204-Y242 HydrophobicContact CG-CE2 3.97Å; F204-Y242 AromaticContact CG-CG 3.85Å; F204-Y242 HydrophobicContact CG-CG 3.85Å; Q205-Y242 HydrophobicContact CG-CE1 4.08Å; Q205-Y242 PolarHBondContact NE2-OH 2.98Å; I208-Y242 HydrophobicContact CD1-CD1 3.66Å; I208-Y242 HydrophobicContact CD1-CE1 4.26Å; I237-Y242 HydrophobicContact CG2-CD2 3.71Å; I237-Y242 HydrophobicContact CG2-CE2 3.49Å; I237-Y242 VanDerWaalsContact CG2-CE2 3.49Å; F238-Y242 PolarHBondContact O-N 2.91Å; Y242-P244 VanDerWaalsContact C-CD 3.48Å; Y242-P244 VanDerWaalsContact C-N 3.35Å; Y242-E245 PolarHBondContact O-N 3.33Å; Y242-E245 VanDerWaalsContact O-N 3.12Å; Y242-F246 WeakPolarHBondContact O-CD2 3.24Å; Y242-F246 PolarHBondContact O-N 2.87Å
243K98.5Very high98.5Very high67 Ų6768.1 Ų68.129%0.29132%0.318SS..Hα-helixtrans-51.2-45.4-178.4-173.1179.9-171.7-33.60113.5F238 E239 E245 F246 D247F238-K243 HydrophobicContact CD1-CB 4.32Å; F238-K243 HydrophobicContact CE1-CB 3.93Å; F238-K243 HydrophobicContact CE1-CD 4.19Å; F238-K243 HydrophobicContact CE1-CG 3.87Å; F238-K243 HydrophobicContact CE2-CB 4.24Å; F238-K243 HydrophobicContact CZ-CB 3.89Å; F238-K243 HydrophobicContact CZ-CG 3.86Å; F238-K243 PolarHBondContact O-N 3.31Å; E239-K243 VanDerWaalsContact OE2-CD 3.31Å; E239-K243 WeakPolarHBondContact OE2-CD 3.37Å; K243-E245 PolarHBondContact O-N 3.31Å; K243-F246 PolarHBondContact O-N 3.28Å; K243-D247 IonicContact NZ-OD1 2.73Å; K243-D247 PolarHBondContact NZ-OD1 3.43Å; K243-D247 IonicContact NZ-OD2 3.53Å; K243-D247 PolarHBondContact NZ-OD2 3.34Å; K243-D247 WeakPolarHBondContact O-CB 3.47Å; K243-D247 VanDerWaalsContact O-CG 3.22Å; K243-D247 PolarHBondContact O-N 3.07Å
244P98.5Very high98.5Very high91 Ų9170.9 Ų70.959%0.59133%0.331SS*.Hα-helixtrans-60.7-40.2179.6-24.935.6000114.1Y242 K248Y242-P244 VanDerWaalsContact C-CD 3.48Å; Y242-P244 VanDerWaalsContact C-N 3.35Å; P244-K248 WeakPolarHBondContact O-CB 3.38Å; P244-K248 PolarHBondContact O-N 3.06Å; P244-K248 VanDerWaalsContact O-N 3.12Å
245E98.1Very high98.5Very high65 Ų6572.4 Ų72.430%0.30434%0.338SS..Hα-helixtrans-75.7-35.5179.8-168.863.8-155.100111.3I208 Y242 K243 K248 L249I208-E245 HydrophobicContact CD1-CB 4.16Å; I208-E245 HydrophobicContact CD1-CG 4.03Å; I208-E245 HydrophobicContact CG1-CG 4.33Å; I208-E245 HydrophobicContact CG2-CG 4.24Å; Y242-E245 PolarHBondContact O-N 3.33Å; Y242-E245 VanDerWaalsContact O-N 3.12Å; K243-E245 PolarHBondContact O-N 3.31Å; E245-K248 VanDerWaalsContact CD-NZ 3.35Å; E245-K248 PolarHBondContact O-N 2.99Å; E245-K248 IonicContact OE1-NZ 3.75Å; E245-K248 PolarHBondContact OE1-NZ 2.57Å; E245-K248 WeakPolarHBondContact OE2-CD 3.39Å; E245-K248 IonicContact OE2-NZ 3.57Å; E245-K248 PolarHBondContact OE2-NZ 3.28Å; E245-L249 HydrophobicContact CG-CD1 4.1Å; E245-L249 WeakPolarHBondContact O-CB 3.37Å; E245-L249 WeakPolarHBondContact O-CG 3.25Å; E245-L249 PolarHBondContact O-N 2.94Å
246F98.7Very high98.5Very high0 Ų071.8 Ų71.80%033%0.333CS..Hα-helixtrans-61.6-46.9172.9-89.4-116.6000111.6F204 A207 I208 L214 F238 Y242 K243 K248 L249 K250 I251F204-F246 HydrophobicContact CB-CE2 4.26Å; F204-F246 HydrophobicContact CB-CZ 4.48Å; F204-F246 HydrophobicContact CD1-CE1 4.44Å; F204-F246 AromaticContact CD1-CE2 3.89Å; F204-F246 HydrophobicContact CD1-CE2 3.89Å; F204-F246 AromaticContact CD1-CZ 3.65Å; F204-F246 HydrophobicContact CD1-CZ 3.65Å; F204-F246 HydrophobicContact CE1-CZ 4.48Å; A207-F246 HydrophobicContact CB-CE1 4.47Å; A207-F246 HydrophobicContact CB-CZ 3.92Å; I208-F246 HydrophobicContact CD1-CD2 3.92Å; I208-F246 HydrophobicContact CD1-CE2 3.66Å; I208-F246 HydrophobicContact CG1-CD2 3.81Å; I208-F246 HydrophobicContact CG1-CE2 3.47Å; I208-F246 VanDerWaalsContact CG1-CE2 3.47Å; I208-F246 HydrophobicContact CG1-CZ 4.32Å; L214-F246 HydrophobicContact CB-CE1 4.2Å; L214-F246 HydrophobicContact CB-CZ 4.43Å; F238-F246 HydrophobicContact CE2-CB 3.94Å; F238-F246 AromaticContact CE2-CD1 3.87Å; F238-F246 HydrophobicContact CE2-CD1 3.87Å; F238-F246 HydrophobicContact CE2-CD2 4.19Å; F238-F246 HydrophobicContact CE2-CE1 4.45Å; F238-F246 AromaticContact CE2-CG 3.74Å; F238-F246 HydrophobicContact CE2-CG 3.74Å; F238-F246 HydrophobicContact CZ-CB 4.36Å; Y242-F246 WeakPolarHBondContact O-CD2 3.24Å; Y242-F246 PolarHBondContact O-N 2.87Å; K243-F246 PolarHBondContact O-N 3.28Å; F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 2.99Å; F246-L249 CarbonylContact O-C 3.57Å; F246-L249 PolarHBondContact O-N 3.09Å; F246-K250 PolarHBondContact O-N 2.91Å; F246-I251 CarbonylContact C-O 3.55Å; F246-I251 HydrophobicContact CB-CG1 4.08Å; F246-I251 HydrophobicContact CD1-CB 4.37Å; F246-I251 HydrophobicContact CD1-CD1 3.81Å; F246-I251 HydrophobicContact CD1-CG1 3.62Å; F246-I251 HydrophobicContact CD2-CD1 4.36Å; F246-I251 HydrophobicContact CE1-CD1 3.92Å; F246-I251 HydrophobicContact CE1-CG1 4.17Å; F246-I251 HydrophobicContact CE2-CD1 4.48Å; F246-I251 HydrophobicContact CG-CD1 4.03Å; F246-I251 HydrophobicContact CG-CG1 3.87Å; F246-I251 HydrophobicContact CZ-CD1 4.25Å; F246-I251 PolarHBondContact O-N 2.73Å
247D98.6Very high98.5Very high88 Ų8869.2 Ų69.247%0.47132%0.319SS..Hα-helixtrans-59.4-44.7176.9-69.6-16.3000110.9K243 L249 K250K243-D247 IonicContact NZ-OD1 2.73Å; K243-D247 PolarHBondContact NZ-OD1 3.43Å; K243-D247 IonicContact NZ-OD2 3.53Å; K243-D247 PolarHBondContact NZ-OD2 3.34Å; K243-D247 WeakPolarHBondContact O-CB 3.47Å; K243-D247 VanDerWaalsContact O-CG 3.22Å; K243-D247 PolarHBondContact O-N 3.07Å; D247-L249 PolarHBondContact O-N 3.11Å; D247-K250 PolarHBondContact O-N 3.05Å; D247-K250 VanDerWaalsContact O-N 3.16Å
248K98.6Very high98.5Very high143 Ų14369.7 Ų69.762%0.62232%0.322SS*.Hα-helixtrans-62.2-39.8177.3175.4-173.6162.4-147.50112.8P244 E245 F246 K250P244-K248 WeakPolarHBondContact O-CB 3.38Å; P244-K248 PolarHBondContact O-N 3.06Å; P244-K248 VanDerWaalsContact O-N 3.12Å; E245-K248 VanDerWaalsContact CD-NZ 3.35Å; E245-K248 PolarHBondContact O-N 2.99Å; E245-K248 IonicContact OE1-NZ 3.75Å; E245-K248 PolarHBondContact OE1-NZ 2.57Å; E245-K248 WeakPolarHBondContact OE2-CD 3.39Å; E245-K248 IonicContact OE2-NZ 3.57Å; E245-K248 PolarHBondContact OE2-NZ 3.28Å; F246-K248 VanDerWaalsContact C-N 3.34Å; F246-K248 PolarHBondContact O-N 2.99Å; K248-K250 VanDerWaalsContact C-N 3.27Å
249L98.4Very high98.4Very high45 Ų4572.9 Ų72.924%0.23634%0.339CS..Hα-helixtrans-81.6-5.3177.9-69.1175.3000113.4I208 K211 E245 F246 D247 I251I208-L249 HydrophobicContact CB-CD1 4.34Å; I208-L249 HydrophobicContact CG1-CD1 4.3Å; I208-L249 HydrophobicContact CG2-CD1 3.91Å; K211-L249 HydrophobicContact CD-CD2 4.34Å; K211-L249 HydrophobicContact CG-CD2 4.25Å; E245-L249 HydrophobicContact CG-CD1 4.1Å; E245-L249 WeakPolarHBondContact O-CB 3.37Å; E245-L249 WeakPolarHBondContact O-CG 3.25Å; E245-L249 PolarHBondContact O-N 2.94Å; F246-L249 CarbonylContact O-C 3.57Å; F246-L249 PolarHBondContact O-N 3.09Å; D247-L249 PolarHBondContact O-N 3.11Å; L249-I251 VanDerWaalsContact C-N 3.3Å; L249-I251 HydrophobicContact CB-CD1 4.14Å; L249-I251 HydrophobicContact CB-CG1 3.92Å; L249-I251 HydrophobicContact CD1-CD1 4.21Å; L249-I251 PolarHBondContact O-N 2.88Å
250K98.4Very high98.4Very high185 Ų18571.6 Ų71.680%0.80434%0.336SS*.THydrogen-bonded Turntrans59.539.2-177.2-52.7-179.2-179.6-179.10113F246 D247 K248F246-K250 PolarHBondContact O-N 2.91Å; D247-K250 PolarHBondContact O-N 3.05Å; D247-K250 VanDerWaalsContact O-N 3.16Å; K248-K250 VanDerWaalsContact C-N 3.27Å
251I98.7Very high98.4Very high14 Ų1463.9 Ų63.97%0.07230%0.302CS..  trans-118.1164.9173.457173.5000109.3K211 W212 F246 L249K211-I251 WeakPolarHBondContact O-CG2 3.15Å; W212-I251 WeakPolarHBondContact O-CD1 3.25Å; F246-I251 CarbonylContact C-O 3.55Å; F246-I251 HydrophobicContact CB-CG1 4.08Å; F246-I251 HydrophobicContact CD1-CB 4.37Å; F246-I251 HydrophobicContact CD1-CD1 3.81Å; F246-I251 HydrophobicContact CD1-CG1 3.62Å; F246-I251 HydrophobicContact CD2-CD1 4.36Å; F246-I251 HydrophobicContact CE1-CD1 3.92Å; F246-I251 HydrophobicContact CE1-CG1 4.17Å; F246-I251 HydrophobicContact CE2-CD1 4.48Å; F246-I251 HydrophobicContact CG-CD1 4.03Å; F246-I251 HydrophobicContact CG-CG1 3.87Å; F246-I251 HydrophobicContact CZ-CD1 4.25Å; F246-I251 PolarHBondContact O-N 2.73Å; L249-I251 VanDerWaalsContact C-N 3.3Å; L249-I251 HydrophobicContact CB-CD1 4.14Å; L249-I251 HydrophobicContact CB-CG1 3.92Å; L249-I251 HydrophobicContact CD1-CD1 4.21Å; L249-I251 PolarHBondContact O-N 2.88Å
252W98.8Very high98.5Very high124 Ų12461.4 Ų61.447%0.4729%0.293SS..  trans-133.1162-177.160.491.2000111.8P213 L214 Y215P213-W252 WeakPolarHBondContact CA-O 3.47Å; P213-W252 HydrophobicContact CB-CD2 3.73Å; P213-W252 VanDerWaalsContact CB-CE2 3.49Å; P213-W252 HydrophobicContact CB-CE3 4.18Å; P213-W252 HydrophobicContact CB-CG 4.15Å; P213-W252 HydrophobicContact CB-CH2 4.22Å; P213-W252 HydrophobicContact CB-CZ2 3.77Å; P213-W252 HydrophobicContact CB-CZ3 4.4Å; P213-W252 HydrophobicContact CG-CH2 4.07Å; P213-W252 HydrophobicContact CG-CZ2 3.83Å; L214-W252 PolarHBondContact N-O 2.86Å; Y215-W252 AromaticContact CE1-NE1 3.94Å; Y215-W252 AromaticContact CZ-NE1 3.47Å; Y215-W252 PolarHBondContact OH-NE1 2.85Å
253Y98.8Very high98.5Very high19 Ų1962 Ų628%0.07530%0.304CS..EExtended strand (participates in β ladder)trans-112.3137.5166.9162.3-114.6000109.2F204 L214 M216 F234 F238F204-Y253 HydrophobicContact CE1-CD1 4.15Å; F204-Y253 AromaticContact CE1-CD2 3.81Å; F204-Y253 HydrophobicContact CE1-CD2 3.81Å; F204-Y253 HydrophobicContact CE1-CE2 4.48Å; F204-Y253 AromaticContact CE1-CG 3.64Å; F204-Y253 HydrophobicContact CE1-CG 3.64Å; F204-Y253 HydrophobicContact CZ-CD1 4.19Å; F204-Y253 HydrophobicContact CZ-CD2 4.13Å; F204-Y253 HydrophobicContact CZ-CE1 4.41Å; F204-Y253 HydrophobicContact CZ-CE2 4.37Å; F204-Y253 HydrophobicContact CZ-CG 4.06Å; L214-Y253 HydrophobicContact CB-CD2 4.41Å; L214-Y253 HydrophobicContact CD2-CD2 4.06Å; L214-Y253 HydrophobicContact CG-CD2 4.1Å; L214-Y253 CarbonylContact O-C 3.56Å; L214-Y253 VanDerWaalsContact O-CA 3.29Å; L214-Y253 WeakPolarHBondContact O-CA 3.38Å; M216-Y253 HydrophobicContact CB-CE2 3.88Å; F234-Y253 HydrophobicContact CB-CE1 4.41Å; F234-Y253 HydrophobicContact CB-CE2 4.45Å; F234-Y253 WeakPolarHBondContact CB-OH 3.09Å; F234-Y253 AromaticContact CD1-CE2 4Å; F234-Y253 HydrophobicContact CD1-CE2 4Å; F238-Y253 HydrophobicContact CB-CD1 3.81Å; F238-Y253 HydrophobicContact CB-CE1 4.3Å; F238-Y253 AromaticContact CD1-CD1 3.84Å; F238-Y253 HydrophobicContact CD1-CD1 3.84Å; F238-Y253 HydrophobicContact CD2-CD1 4.09Å; F238-Y253 HydrophobicContact CD2-CG 4.17Å; F238-Y253 HydrophobicContact CE1-CD1 4.44Å; F238-Y253 AromaticContact CG-CD1 3.63Å; F238-Y253 HydrophobicContact CG-CD1 3.63Å; F238-Y253 HydrophobicContact CG-CG 4.19Å
254E98.8Very high98.4Very high66 Ų6660.8 Ų60.831%0.30830%0.299SS..EExtended strand (participates in β ladder)trans-143.8134.4175.7-164.1-175.4141.300112.3L214 Y215 M216 R256L214-E254 PolarHBondContact O-N 3.27Å; Y215-E254 CarbonylContact C-O 3.54Å; Y215-E254 VanDerWaalsContact CA-O 3.28Å; Y215-E254 WeakPolarHBondContact CA-O 3.39Å; Y215-E254 HydrophobicContact CD1-CB 3.84Å; Y215-E254 HydrophobicContact CE1-CB 3.85Å; Y215-E254 HydrophobicContact CE1-CG 4.5Å; M216-E254 PolarHBondContact N-O 3.42Å; E254-R256 HydrophobicContact CG-CG 4.49Å; E254-R256 IonicContact OE1-CZ 2.68Å; E254-R256 IonicContact OE1-NE 3.72Å; E254-R256 PolarHBondContact OE1-NE 3.3Å; E254-R256 IonicContact OE1-NH2 2.71Å; E254-R256 PolarHBondContact OE1-NH2 3.36Å; E254-R256 IonicContact OE2-NE 3.29Å; E254-R256 IonicContact OE2-NH2 2.71Å
255H98.8Very high98.4Very high33 Ų3356.7 Ų56.715%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-84.3135.6167170.2-100000110.5M216 T218 N220 K231M216-H255 CarbonylContact O-C 3.49Å; M216-H255 WeakPolarHBondContact O-CA 3.22Å; M216-H255 PolarHBondContact O-CD2 2.87Å; T218-H255 PolarHBondContact OG1-NE2 3.08Å; N220-H255 PolarHBondContact OD1-CE1 2.94Å; K231-H255 HydrophobicContact CG-CB 4.28Å
256R98.7Very high98.4Very high54 Ų5458.4 Ų58.420%0.20428%0.283CS..EExtended strand (participates in β ladder)trans-130.5155.9173.1-69.4-162.8168.2-124.3-2.2112.6Y215 M216 S217 T218 E254 D260 M261Y215-R256 HydrophobicContact CD1-CG 4.4Å; M216-R256 PolarHBondContact O-N 2.82Å; S217-R256 VanDerWaalsContact CA-O 3.3Å; S217-R256 WeakPolarHBondContact CA-O 3.44Å; T218-R256 PolarHBondContact N-O 2.82Å; T218-R256 VanDerWaalsContact N-O 3.15Å; E254-R256 HydrophobicContact CG-CG 4.49Å; E254-R256 IonicContact OE1-CZ 2.68Å; E254-R256 IonicContact OE1-NE 3.72Å; E254-R256 PolarHBondContact OE1-NE 3.3Å; E254-R256 IonicContact OE1-NH2 2.71Å; E254-R256 PolarHBondContact OE1-NH2 3.36Å; E254-R256 IonicContact OE2-NE 3.29Å; E254-R256 IonicContact OE2-NH2 2.71Å; R256-D260 IonicContact CZ-OD2 3.55Å; R256-D260 IonicContact NE-OD2 3.4Å; R256-D260 IonicContact NH1-OD1 3.7Å; R256-D260 IonicContact NH1-OD2 3.55Å; R256-D260 PolarHBondContact NH1-OD2 2.99Å; R256-M261 HydrophobicContact CB-CB 4.13Å; R256-M261 HydrophobicContact CB-SD 4.42Å
257L98.6Very high98.3Very high50 Ų5067 Ų6726%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-70.9140.6164.7-62.4176.9000109.2T218 N220 T221 D259 D260 M261T218-L257 CarbonylContact O-C 3.56Å; T218-L257 WeakPolarHBondContact O-CA 3.21Å; N220-L257 WeakPolarHBondContact OD1-CD2 3.43Å; T221-L257 HydrophobicContact CG2-CD1 3.8Å; T221-L257 HydrophobicContact CG2-CD2 3.84Å; T221-L257 HydrophobicContact CG2-CG 4.47Å; L257-D259 VanDerWaalsContact CB-OD1 3.23Å; L257-D259 WeakPolarHBondContact CB-OD1 3.49Å; L257-D259 PolarHBondContact O-N 2.9Å; L257-D260 PolarHBondContact O-N 3.34Å; L257-M261 PolarHBondContact O-N 2.89Å
258I98.4Very high98.2Very high24 Ų2464 Ų6412%0.12331%0.306CS..Hα-helixtrans-57.3-36.5-174.4-177.361.3000113S217 T218 K219 M261 V262 W274 D280S217-I258 WeakPolarHBondContact OG-CD1 3.43Å; T218-I258 PolarHBondContact O-N 3.27Å; K219-I258 HydrophobicContact CB-CG2 4.29Å; K219-I258 HydrophobicContact CD-CG2 3.69Å; I258-M261 PolarHBondContact O-N 2.84Å; I258-V262 HydrophobicContact CD1-CG1 4.17Å; I258-V262 WeakPolarHBondContact O-CG1 3.5Å; I258-V262 WeakPolarHBondContact O-CG2 3.26Å; I258-V262 PolarHBondContact O-N 2.78Å; I258-W274 HydrophobicContact CD1-CZ2 3.76Å; I258-D280 HydrophobicContact CD1-CB 4.28Å
259D97.8Very high98.1Very high82 Ų8260.5 Ų60.544%0.43930%0.3SS..Hα-helixtrans-67.2-37.8176.547.5-35000113.4K219 L257 V262K219-D259 IonicContact NZ-OD1 2.75Å; K219-D259 PolarHBondContact NZ-OD1 3.23Å; K219-D259 IonicContact NZ-OD2 2.77Å; K219-D259 PolarHBondContact NZ-OD2 2.89Å; L257-D259 VanDerWaalsContact CB-OD1 3.23Å; L257-D259 WeakPolarHBondContact CB-OD1 3.49Å; L257-D259 PolarHBondContact O-N 2.9Å; D259-V262 VanDerWaalsContact O-CG2 3.29Å; D259-V262 WeakPolarHBondContact O-CG2 3.22Å
260D97.8Very high98Very high73 Ų7358.8 Ų58.839%0.3929%0.294SS..Hα-helixtrans-72-41.3172.4-18042.9000111R256 L257 V262 A263 Q264R256-D260 IonicContact CZ-OD2 3.55Å; R256-D260 IonicContact NE-OD2 3.4Å; R256-D260 IonicContact NH1-OD1 3.7Å; R256-D260 IonicContact NH1-OD2 3.55Å; R256-D260 PolarHBondContact NH1-OD2 2.99Å; L257-D260 PolarHBondContact O-N 3.34Å; D260-V262 PolarHBondContact O-N 2.95Å; D260-A263 PolarHBondContact O-N 2.69Å; D260-Q264 PolarHBondContact O-N 3.44Å
261M98.6Very high98Very high0 Ų051.3 Ų51.30%027%0.266CS..Hα-helixtrans-61.3-46.5-178.6-171.560.1-168.600112.2Y215 R256 L257 I258 A263 Q264 V265 F272 W274Y215-M261 VanDerWaalsContact CB-CE 3.44Å; Y215-M261 HydrophobicContact CD1-CE 4.49Å; Y215-M261 HydrophobicContact CD1-SD 4.24Å; Y215-M261 HydrophobicContact CD2-CE 3.97Å; Y215-M261 HydrophobicContact CG-CE 3.72Å; Y215-M261 HydrophobicContact CG-SD 4.02Å; R256-M261 HydrophobicContact CB-CB 4.13Å; R256-M261 HydrophobicContact CB-SD 4.42Å; L257-M261 PolarHBondContact O-N 2.89Å; I258-M261 PolarHBondContact O-N 2.84Å; M261-A263 VanDerWaalsContact C-N 3.28Å; M261-A263 PolarHBondContact O-N 2.86Å; M261-Q264 PolarHBondContact O-N 2.81Å; M261-V265 HydrophobicContact CE-CG2 3.77Å; M261-V265 HydrophobicContact CG-CG2 4.38Å; M261-V265 WeakPolarHBondContact O-CB 3.2Å; M261-V265 WeakPolarHBondContact O-CG2 3.4Å; M261-V265 PolarHBondContact O-N 2.79Å; M261-F272 HydrophobicContact CE-CD2 4.05Å; M261-F272 HydrophobicContact CE-CE2 3.53Å; M261-F272 HydrophobicContact CE-CZ 4.29Å; M261-W274 HydrophobicContact CB-CZ2 4.39Å; M261-W274 HydrophobicContact CE-CB 4.22Å; M261-W274 HydrophobicContact CE-CD2 3.94Å; M261-W274 HydrophobicContact CE-CG 3.73Å; M261-W274 HydrophobicContact CG-CD2 4.21Å; M261-W274 HydrophobicContact CG-CZ2 3.73Å
262V98.3Very high98Very high42 Ų4251 Ų5126%0.25526%0.264SS..Hα-helixtrans-62.6-36.5177.7-64.30000111.9I258 D259 D260 L266 W274I258-V262 HydrophobicContact CD1-CG1 4.17Å; I258-V262 WeakPolarHBondContact O-CG1 3.5Å; I258-V262 WeakPolarHBondContact O-CG2 3.26Å; I258-V262 PolarHBondContact O-N 2.78Å; D259-V262 VanDerWaalsContact O-CG2 3.29Å; D259-V262 WeakPolarHBondContact O-CG2 3.22Å; D260-V262 PolarHBondContact O-N 2.95Å; V262-L266 WeakPolarHBondContact O-CG 3.4Å; V262-L266 PolarHBondContact O-N 3.47Å; V262-W274 HydrophobicContact CG1-CH2 3.89Å; V262-W274 HydrophobicContact CG1-CZ2 4.27Å
263A97.9Very high97.9Very high38 Ų3845.1 Ų45.131%0.31424%0.242SC..Hα-helixtrans-69.7-39.1176.900000111.9D260 M261 K267D260-A263 PolarHBondContact O-N 2.69Å; M261-A263 VanDerWaalsContact C-N 3.28Å; M261-A263 PolarHBondContact O-N 2.86Å; A263-K267 WeakPolarHBondContact O-CG 3.31Å; A263-K267 PolarHBondContact O-N 3Å
264Q97.7Very high97.9Very high40 Ų4044.2 Ų44.219%0.18724%0.238CC..Hα-helixtrans-65-44174.1175170.7-3300111.7Y215 D260 M261 L266 K267 S268Y215-Q264 PolarHBondContact OH-NE2 3.41Å; D260-Q264 PolarHBondContact O-N 3.44Å; M261-Q264 PolarHBondContact O-N 2.81Å; Q264-L266 VanDerWaalsContact C-N 3.32Å; Q264-L266 PolarHBondContact O-N 3.39Å; Q264-K267 CarbonylContact O-C 3.49Å; Q264-K267 PolarHBondContact O-N 2.98Å; Q264-K267 VanDerWaalsContact O-N 3.1Å; Q264-S268 WeakPolarHBondContact O-CB 3.42Å; Q264-S268 PolarHBondContact O-N 2.99Å
265V98.1Very high97.9Very high6 Ų641.1 Ų41.14%0.03622%0.224CC..Hα-helixtrans-54.4-49.6177.71660000110.4W132 I136 M261 K267 S268 F272 W274 L288W132-V265 HydrophobicContact CZ2-CG1 3.9Å; W132-V265 PolarHBondContact NE1-O 3.21Å; I136-V265 HydrophobicContact CD1-CG1 3.96Å; M261-V265 HydrophobicContact CE-CG2 3.77Å; M261-V265 HydrophobicContact CG-CG2 4.38Å; M261-V265 WeakPolarHBondContact O-CB 3.2Å; M261-V265 WeakPolarHBondContact O-CG2 3.4Å; M261-V265 PolarHBondContact O-N 2.79Å; V265-K267 VanDerWaalsContact C-N 3.26Å; V265-K267 PolarHBondContact O-N 2.97Å; V265-S268 PolarHBondContact O-N 3.47Å; V265-S268 PolarHBondContact O-OG 3.5Å; V265-F272 HydrophobicContact CB-CZ 4.45Å; V265-F272 HydrophobicContact CG2-CE2 4.02Å; V265-F272 HydrophobicContact CG2-CZ 3.77Å; V265-W274 HydrophobicContact CB-CZ3 4.47Å; V265-W274 HydrophobicContact CG1-CZ3 4.32Å; V265-W274 HydrophobicContact CG2-CD2 4.35Å; V265-W274 HydrophobicContact CG2-CE3 3.78Å; V265-W274 HydrophobicContact CG2-CH2 4.18Å; V265-W274 HydrophobicContact CG2-CZ3 3.69Å; V265-L288 HydrophobicContact CG1-CD2 4.35Å
266L97.2Very high97.9Very high100 Ų10039.5 Ų39.552%0.52422%0.216SC..Hα-helixtrans-60.9-31.5178.9-75.1169.3000113.9V129 W132 V262 Q264V129-L266 HydrophobicContact CG2-CD2 4.05Å; W132-L266 HydrophobicContact CZ2-CD2 4.09Å; V262-L266 WeakPolarHBondContact O-CG 3.4Å; V262-L266 PolarHBondContact O-N 3.47Å; Q264-L266 VanDerWaalsContact C-N 3.32Å; Q264-L266 PolarHBondContact O-N 3.39Å
267K96.6Very high97.9Very high180 Ų18037.8 Ų37.878%0.78321%0.21SC*.Hα-helixtrans-91.2-13.9-179.9-65.7172.3-175.8174.40113.6A263 Q264 V265A263-K267 WeakPolarHBondContact O-CG 3.31Å; A263-K267 PolarHBondContact O-N 3Å; Q264-K267 CarbonylContact O-C 3.49Å; Q264-K267 PolarHBondContact O-N 2.98Å; Q264-K267 VanDerWaalsContact O-N 3.1Å; V265-K267 VanDerWaalsContact C-N 3.26Å; V265-K267 PolarHBondContact O-N 2.97Å
268S97.4Very high97.6Very high26 Ų2635.5 Ų35.518%0.18220%0.199CC..SBendtrans-76.5172-175.776.40000112.7Q264 V265 G270 F272Q264-S268 WeakPolarHBondContact O-CB 3.42Å; Q264-S268 PolarHBondContact O-N 2.99Å; V265-S268 PolarHBondContact O-N 3.47Å; V265-S268 PolarHBondContact O-OG 3.5Å; S268-G270 PolarHBondContact OG-N 3.47Å; S268-F272 WeakPolarHBondContact OG-CE1 3.49Å
269S96.8Very high97.3Very high69 Ų6940.1 Ų40.148%0.48322%0.215SC..  trans-1004.6169.253.60000114.3G131 T133 Q134G131-S269 VanDerWaalsContact O-CA 3.32Å; G131-S269 WeakPolarHBondContact O-CA 3.28Å; T133-S269 PolarHBondContact N-O 2.85Å; Q134-S269 WeakPolarHBondContact CB-O 3.34Å; Q134-S269 PolarHBondContact N-O 3.33Å
270G96.5Very high97.3Very high10 Ų1037.7 Ų37.710%0.10320%0.202CC..  trans87.2-153.5-173.400000114.1S268 F272S268-G270 PolarHBondContact OG-N 3.47Å; G270-F272 WeakPolarHBondContact O-CD1 3.17Å
271A97.1Very high97.1Very high27 Ų2734.2 Ų34.222%0.22318%0.184CC..  trans62.947.8-177.300000115.1Q134 P135 W212 P213Q134-A271 HydrophobicContact CB-CB 3.68Å; Q134-A271 HydrophobicContact CG-CB 4Å; P135-A271 WeakPolarHBondContact O-CA 3.2Å; P135-A271 PolarHBondContact O-N 2.78Å; W212-A271 HydrophobicContact CD2-CB 4.43Å; W212-A271 HydrophobicContact CZ2-CB 4.43Å; P213-A271 WeakPolarHBondContact CD-O 3.4Å
272F98.5Very high96.4Very high8 Ų836.5 Ų36.54%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-145.1157.5172.358.2-90.5000111.4I136 T137 P213 Y215 M261 V265 S268 G270 W274I136-F272 HydrophobicContact CB-CZ 4.44Å; I136-F272 HydrophobicContact CD1-CE1 4.03Å; I136-F272 HydrophobicContact CD1-CZ 3.73Å; I136-F272 HydrophobicContact CG1-CE1 3.89Å; I136-F272 HydrophobicContact CG1-CE2 4.44Å; I136-F272 HydrophobicContact CG1-CZ 3.82Å; I136-F272 HydrophobicContact CG2-CD2 4.18Å; I136-F272 HydrophobicContact CG2-CE2 3.58Å; I136-F272 HydrophobicContact CG2-CZ 3.78Å; T137-F272 PolarHBondContact N-O 3.33Å; T137-F272 VanDerWaalsContact N-O 3.13Å; P213-F272 HydrophobicContact CG-CB 3.95Å; P213-F272 WeakPolarHBondContact O-CA 3.47Å; Y215-F272 HydrophobicContact CD2-CB 3.95Å; Y215-F272 AromaticContact CD2-CD2 3.82Å; Y215-F272 HydrophobicContact CD2-CD2 3.82Å; Y215-F272 AromaticContact CD2-CG 3.98Å; Y215-F272 HydrophobicContact CD2-CG 3.98Å; Y215-F272 HydrophobicContact CE2-CB 3.95Å; Y215-F272 HydrophobicContact CE2-CD2 4.37Å; Y215-F272 HydrophobicContact CE2-CG 4.09Å; M261-F272 HydrophobicContact CE-CD2 4.05Å; M261-F272 HydrophobicContact CE-CE2 3.53Å; M261-F272 HydrophobicContact CE-CZ 4.29Å; V265-F272 HydrophobicContact CB-CZ 4.45Å; V265-F272 HydrophobicContact CG2-CE2 4.02Å; V265-F272 HydrophobicContact CG2-CZ 3.77Å; S268-F272 WeakPolarHBondContact OG-CE1 3.49Å; G270-F272 WeakPolarHBondContact O-CD1 3.17Å; F272-W274 HydrophobicContact CD2-CB 4.18Å; F272-W274 HydrophobicContact CE2-CB 4.07Å
273V98.6Very high95.9Very high0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-92.8134.3167.6-1760000108F116 T137 Y206 A207 W212 P213 L214 Y215F116-V273 HydrophobicContact CD1-CG1 4.47Å; F116-V273 HydrophobicContact CE1-CG1 4.07Å; T137-V273 CarbonylContact O-C 3.58Å; T137-V273 WeakPolarHBondContact O-CA 3.34Å; Y206-V273 HydrophobicContact CD1-CG1 4.4Å; Y206-V273 HydrophobicContact CD1-CG2 3.88Å; Y206-V273 HydrophobicContact CE1-CG2 4.37Å; A207-V273 HydrophobicContact CB-CB 4.33Å; A207-V273 HydrophobicContact CB-CG2 4Å; W212-V273 HydrophobicContact CE3-CG2 4.5Å; P213-V273 PolarHBondContact O-N 3Å; L214-V273 WeakPolarHBondContact CA-O 3.31Å; L214-V273 HydrophobicContact CD1-CB 3.71Å; L214-V273 HydrophobicContact CD1-CG1 3.57Å; Y215-V273 PolarHBondContact N-O 3.43Å
274W98.8Very high95.7Very high1 Ų137 Ų370%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-119.2102.7178.4-177.69.7000109.6T137 I138 G139 Y215 S217 I258 M261 V262 V265 F272 C276 Q284T137-W274 PolarHBondContact O-N 2.98Å; I138-W274 CarbonylContact C-O 3.59Å; I138-W274 WeakPolarHBondContact CA-O 3.48Å; I138-W274 HydrophobicContact CD1-CE3 3.95Å; I138-W274 HydrophobicContact CD1-CZ3 4.15Å; I138-W274 HydrophobicContact CG1-CB 4.31Å; I138-W274 HydrophobicContact CG1-CD2 4.34Å; I138-W274 HydrophobicContact CG1-CE3 3.89Å; G139-W274 PolarHBondContact N-O 3.11Å; Y215-W274 CarbonylContact O-C 3.55Å; Y215-W274 WeakPolarHBondContact O-CA 3.42Å; S217-W274 PolarHBondContact OG-NE1 3.13Å; I258-W274 HydrophobicContact CD1-CZ2 3.76Å; M261-W274 HydrophobicContact CB-CZ2 4.39Å; M261-W274 HydrophobicContact CE-CB 4.22Å; M261-W274 HydrophobicContact CE-CD2 3.94Å; M261-W274 HydrophobicContact CE-CG 3.73Å; M261-W274 HydrophobicContact CG-CD2 4.21Å; M261-W274 HydrophobicContact CG-CZ2 3.73Å; V262-W274 HydrophobicContact CG1-CH2 3.89Å; V262-W274 HydrophobicContact CG1-CZ2 4.27Å; V265-W274 HydrophobicContact CB-CZ3 4.47Å; V265-W274 HydrophobicContact CG1-CZ3 4.32Å; V265-W274 HydrophobicContact CG2-CD2 4.35Å; V265-W274 HydrophobicContact CG2-CE3 3.78Å; V265-W274 HydrophobicContact CG2-CH2 4.18Å; V265-W274 HydrophobicContact CG2-CZ3 3.69Å; F272-W274 HydrophobicContact CD2-CB 4.18Å; F272-W274 HydrophobicContact CE2-CB 4.07Å; W274-C276 PolarHBondContact NE1-SG 2.94Å; W274-C276 PolarHBondContact O-N 3.18Å; W274-Q284 HydrophobicContact CH2-CB 3.81Å; W274-Q284 HydrophobicContact CH2-CG 3.55Å; W274-Q284 HydrophobicContact CZ2-CG 4.16Å; W274-Q284 HydrophobicContact CZ3-CB 3.91Å; W274-Q284 HydrophobicContact CZ3-CG 4.18Å
275A98.6Very high95.3Very high0 Ų035.1 Ų35.10%018%0.184CC..EExtended strand (participates in β ladder)trans-73.7112.9171.800000110G139 F199 C203 L214 Y215 M216 S217 F234G139-A275 WeakPolarHBondContact O-CA 3.31Å; F199-A275 HydrophobicContact CE1-CB 4.23Å; F199-A275 HydrophobicContact CE2-CB 4.48Å; F199-A275 HydrophobicContact CZ-CB 3.69Å; C203-A275 HydrophobicContact CB-CB 4.28Å; L214-A275 HydrophobicContact CD1-CB 4.15Å; Y215-A275 PolarHBondContact O-N 2.85Å; M216-A275 WeakPolarHBondContact CA-O 3.48Å; M216-A275 HydrophobicContact CB-CB 4Å; M216-A275 HydrophobicContact CG-CB 3.88Å; S217-A275 PolarHBondContact N-O 3.29Å; S217-A275 VanDerWaalsContact N-O 3.17Å; F234-A275 HydrophobicContact CE1-CB 4Å; F234-A275 HydrophobicContact CZ-CB 4.18Å
276C98.6Very high94.6Very high0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-110.5141.4178.3-64.20000110.8I138 G139 H141 F199 W274 D280 G281I138-C276 HydrophobicContact CG2-CB 4.25Å; G139-C276 PolarHBondContact O-N 3.43Å; H141-C276 PolarHBondContact N-O 3.32Å; F199-C276 WeakPolarHBondContact CZ-O 3.07Å; W274-C276 PolarHBondContact NE1-SG 2.94Å; W274-C276 PolarHBondContact O-N 3.18Å; C276-D280 HydrophobicContact CB-CB 4.05Å; C276-G281 VanDerWaalsContact CB-N 3.31Å
277K98.1Very high94.2Very high17 Ų1738.1 Ų38.17%0.07420%0.2CC..  trans-57.6167.3162.5-70.5-178.866.2-159.60110.8D145 D227 F230 Y279 D280 G281D145-K277 WeakPolarHBondContact OD2-CE 3.39Å; D227-K277 WeakPolarHBondContact OD1-CE 3.47Å; D227-K277 IonicContact OD1-NZ 2.76Å; D227-K277 PolarHBondContact OD1-NZ 3.31Å; D227-K277 IonicContact OD2-NZ 3.84Å; F230-K277 HydrophobicContact CD1-CG 4.26Å; F230-K277 HydrophobicContact CE1-CG 4.1Å; F230-K277 HydrophobicContact CZ-CG 4.37Å; K277-Y279 PolarHBondContact O-N 2.96Å; K277-D280 PolarHBondContact O-N 3.15Å; K277-G281 PolarHBondContact O-N 2.85Å
278N92.8Very high94.1Very high3 Ų329.8 Ų29.82%0.01616%0.163CC..Hα-helixtrans-54.5-52.7-168.7-158.4-12.5000112.9R140 H141 F143 G144 D145 Y147 D282R140-N278 PolarHBondContact NE-O 3.06Å; R140-N278 PolarHBondContact NE-OD1 3.02Å; R140-N278 PolarHBondContact NH2-OD1 3.45Å; H141-N278 WeakPolarHBondContact O-CA 3.47Å; H141-N278 WeakPolarHBondContact O-CB 3.36Å; H141-N278 PolarHBondContact O-OD1 3.26Å; F143-N278 PolarHBondContact N-ND2 2.85Å; F143-N278 PolarHBondContact O-ND2 3.06Å; G144-N278 PolarHBondContact O-ND2 3.39Å; G144-N278 VanDerWaalsContact O-ND2 3.16Å; D145-N278 HydrophobicContact CB-CB 4.21Å; Y147-N278 HydrophobicContact CD2-CB 3.82Å; Y147-N278 WeakPolarHBondContact CD2-ND2 3.46Å; Y147-N278 WeakPolarHBondContact CD2-OD1 3.41Å; Y147-N278 HydrophobicContact CE2-CB 3.98Å; N278-D282 PolarHBondContact O-N 2.77Å
279Y92.5Very high93.5Very high120 Ų12028.6 Ų28.647%0.47116%0.155SC..Hα-helixtrans-68.3-45.8-179.1-178.4-99.8000113Y147 K277 G281 D282 V283Y147-Y279 HydrophobicContact CE2-CD2 4.5Å; K277-Y279 PolarHBondContact O-N 2.96Å; Y279-G281 VanDerWaalsContact C-N 3.28Å; Y279-G281 PolarHBondContact O-N 2.69Å; Y279-D282 WeakPolarHBondContact O-CB 3.28Å; Y279-D282 PolarHBondContact O-N 2.78Å; Y279-V283 HydrophobicContact CD1-CG2 4.47Å; Y279-V283 HydrophobicContact CE1-CG2 4.01Å; Y279-V283 HydrophobicContact CE2-CG2 4.21Å; Y279-V283 PolarHBondContact O-N 2.6Å; Y279-V283 VanDerWaalsContact O-N 3.16Å
280D96.5Very high92.8Very high31 Ų3130.1 Ų30.117%0.16616%0.155CC..Hα-helixtrans-60-42.3178.4-61.6-38.8000110.7I258 C276 K277 D282 V283 Q284I258-D280 HydrophobicContact CD1-CB 4.28Å; C276-D280 HydrophobicContact CB-CB 4.05Å; K277-D280 PolarHBondContact O-N 3.15Å; D280-D282 VanDerWaalsContact C-N 3.3Å; D280-D282 PolarHBondContact O-N 3.42Å; D280-V283 PolarHBondContact O-N 3.38Å; D280-Q284 WeakPolarHBondContact O-CB 3.27Å; D280-Q284 WeakPolarHBondContact O-CG 3.32Å; D280-Q284 PolarHBondContact O-N 3.22Å
281G93.5Very high92.6Very high0 Ų029.9 Ų29.90%015%0.152CC..Hα-helixtrans-66.1-33.2-179.700000112.7C276 K277 Y279 S285C276-G281 VanDerWaalsContact CB-N 3.31Å; K277-G281 PolarHBondContact O-N 2.85Å; Y279-G281 VanDerWaalsContact C-N 3.28Å; Y279-G281 PolarHBondContact O-N 2.69Å; G281-S285 WeakPolarHBondContact O-CB 3.29Å; G281-S285 PolarHBondContact O-N 3.43Å; G281-S285 PolarHBondContact O-OG 3.15Å
282D83.9Confident92.4Very high48 Ų4829 Ų2926%0.25714%0.143SC..Hα-helixtrans-63.9-60.6174.4-151.226.3000110.3R140 Y147 N278 Y279 D280 Q284 S285R140-D282 IonicContact CZ-OD1 3.93Å; R140-D282 IonicContact NH1-OD1 3.91Å; R140-D282 PolarHBondContact NH1-OD1 3.1Å; R140-D282 IonicContact NH1-OD2 2.68Å; R140-D282 IonicContact NH2-OD1 2.81Å; R140-D282 IonicContact NH2-OD2 3.92Å; Y147-D282 WeakPolarHBondContact OH-CB 3.33Å; Y147-D282 PolarHBondContact OH-OD2 3.17Å; N278-D282 PolarHBondContact O-N 2.77Å; Y279-D282 WeakPolarHBondContact O-CB 3.28Å; Y279-D282 PolarHBondContact O-N 2.78Å; D280-D282 VanDerWaalsContact C-N 3.3Å; D280-D282 PolarHBondContact O-N 3.42Å; D282-Q284 PolarHBondContact O-N 3.28Å; D282-S285 PolarHBondContact O-N 3.28Å; D282-S285 PolarHBondContact O-OG 3.43Å
283V87.9Confident92Very high57 Ų5728.7 Ų28.735%0.34514%0.143SC..Hα-helixtrans-60.9-48.3-176.1177.50000112.1Y279 D280 S285 D286 I287Y279-V283 HydrophobicContact CD1-CG2 4.47Å; Y279-V283 HydrophobicContact CE1-CG2 4.01Å; Y279-V283 HydrophobicContact CE2-CG2 4.21Å; Y279-V283 PolarHBondContact O-N 2.6Å; Y279-V283 VanDerWaalsContact O-N 3.16Å; D280-V283 PolarHBondContact O-N 3.38Å; V283-S285 VanDerWaalsContact C-N 3.33Å; V283-S285 PolarHBondContact O-N 3.05Å; V283-D286 PolarHBondContact O-N 3.46Å; V283-I287 HydrophobicContact CG1-CD1 4.29Å; V283-I287 PolarHBondContact O-N 3.25Å
284Q94.8Very high91.6Very high34 Ų3429.4 Ų29.416%0.15915%0.148CC..Hα-helixtrans-73.3-27.3-173.1-60-58.5-37.600112.1I138 W274 D280 D282 I287 L288I138-Q284 VanDerWaalsContact CD1-C 3.48Å; I138-Q284 HydrophobicContact CD1-CB 3.63Å; W274-Q284 HydrophobicContact CH2-CB 3.81Å; W274-Q284 HydrophobicContact CH2-CG 3.55Å; W274-Q284 HydrophobicContact CZ2-CG 4.16Å; W274-Q284 HydrophobicContact CZ3-CB 3.91Å; W274-Q284 HydrophobicContact CZ3-CG 4.18Å; D280-Q284 WeakPolarHBondContact O-CB 3.27Å; D280-Q284 WeakPolarHBondContact O-CG 3.32Å; D280-Q284 PolarHBondContact O-N 3.22Å; D282-Q284 PolarHBondContact O-N 3.28Å; Q284-I287 PolarHBondContact O-N 3.23Å; Q284-L288 WeakPolarHBondContact O-CG 3.2Å; Q284-L288 PolarHBondContact O-N 2.97Å
285S89.7Confident91Very high1 Ų132.6 Ų32.61%0.00717%0.165CC..Hα-helixtrans-68.5-34.2176.769.90000113.2R117 G281 D282 V283 L288 A289R117-S285 VanDerWaalsContact CD-CB 3.48Å; R117-S285 PolarHBondContact NH1-OG 3.4Å; G281-S285 WeakPolarHBondContact O-CB 3.29Å; G281-S285 PolarHBondContact O-N 3.43Å; G281-S285 PolarHBondContact O-OG 3.15Å; D282-S285 PolarHBondContact O-N 3.28Å; D282-S285 PolarHBondContact O-OG 3.43Å; V283-S285 VanDerWaalsContact C-N 3.33Å; V283-S285 PolarHBondContact O-N 3.05Å; S285-L288 PolarHBondContact O-N 3.33Å; S285-A289 WeakPolarHBondContact O-CB 3.45Å; S285-A289 PolarHBondContact O-N 3.29Å
286D81.4Confident90.5Very high83 Ų8332.8 Ų32.844%0.44417%0.167SC..Hα-helixtrans-69.7-39.8174.5-71.9-5.3000111.3R117 V283 A289 Q290R117-D286 IonicContact NH1-OD1 3.95Å; V283-D286 PolarHBondContact O-N 3.46Å; D286-A289 PolarHBondContact O-N 3.11Å; D286-Q290 WeakPolarHBondContact O-CB 3.3Å; D286-Q290 PolarHBondContact O-N 2.89Å
287I90.7Very high90.3Very high86 Ų8632.9 Ų32.944%0.44117%0.167SC..Hα-helixtrans-60.1-46.5173.3-66.3173000110.5V283 Q284 Q290 G291V283-I287 HydrophobicContact CG1-CD1 4.29Å; V283-I287 PolarHBondContact O-N 3.25Å; Q284-I287 PolarHBondContact O-N 3.23Å; I287-Q290 PolarHBondContact O-N 3.35Å; I287-G291 PolarHBondContact O-N 3.23Å
288L92.5Very high90Very high4 Ų432.2 Ų32.22%0.02116%0.164CC..Hα-helixtrans-62.5-47176.6-73.3-173.4000111.2W132 I136 I138 V265 Q284 S285 Q290 G291 F292 M298W132-L288 HydrophobicContact CH2-CD2 3.82Å; W132-L288 HydrophobicContact CZ2-CD2 4.35Å; W132-L288 HydrophobicContact CZ3-CD2 3.95Å; I136-L288 HydrophobicContact CB-CD1 3.94Å; I136-L288 HydrophobicContact CB-CD2 4.31Å; I136-L288 HydrophobicContact CD1-CD2 4.04Å; I136-L288 HydrophobicContact CG2-CD1 3.62Å; I136-L288 HydrophobicContact CG2-CD2 4.4Å; I138-L288 HydrophobicContact CD1-CD1 3.36Å; I138-L288 HydrophobicContact CD1-CG 4.03Å; I138-L288 HydrophobicContact CG1-CD1 3.57Å; V265-L288 HydrophobicContact CG1-CD2 4.35Å; Q284-L288 WeakPolarHBondContact O-CG 3.2Å; Q284-L288 PolarHBondContact O-N 2.97Å; S285-L288 PolarHBondContact O-N 3.33Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 2.75Å; L288-G291 PolarHBondContact O-N 2.91Å; L288-G291 VanDerWaalsContact O-N 3.15Å; L288-F292 HydrophobicContact CD2-CE2 4.21Å; L288-F292 VanDerWaalsContact O-CD2 3.28Å; L288-F292 WeakPolarHBondContact O-CD2 3.38Å; L288-F292 PolarHBondContact O-N 3.39Å; L288-M298 HydrophobicContact CB-CE 4.23Å
289A84.9Confident90Very high2 Ų232.5 Ų32.52%0.01717%0.166CC..Hα-helixtrans-57.6-44.8-18000000112.2S285 D286 G293 S294 L295 M298S285-A289 WeakPolarHBondContact O-CB 3.45Å; S285-A289 PolarHBondContact O-N 3.29Å; D286-A289 PolarHBondContact O-N 3.11Å; A289-G293 PolarHBondContact O-N 2.94Å; A289-S294 PolarHBondContact O-N 3.48Å; A289-L295 HydrophobicContact CB-CD2 3.63Å; A289-L295 HydrophobicContact CB-CG 4.43Å; A289-M298 HydrophobicContact CB-CB 4.11Å; A289-M298 HydrophobicContact CB-CE 3.66Å; A289-M298 HydrophobicContact CB-CG 4.23Å
290Q83.6Confident90.1Very high100 Ų10026.9 Ų26.947%0.46714%0.144SC..Hα-helixtrans-70.3-37.9177.3-170.255.372.700112.4L128 D286 I287 L288 F292 G293L128-Q290 HydrophobicContact CD1-CG 4.07Å; D286-Q290 WeakPolarHBondContact O-CB 3.3Å; D286-Q290 PolarHBondContact O-N 2.89Å; I287-Q290 PolarHBondContact O-N 3.35Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 2.75Å; Q290-F292 VanDerWaalsContact C-N 3.29Å; Q290-F292 PolarHBondContact O-N 3.48Å; Q290-G293 PolarHBondContact NE2-O 2.99Å; Q290-G293 PolarHBondContact O-N 3.4Å; Q290-G293 VanDerWaalsContact O-N 3.15Å
291G91.7Very high90Very high5 Ų526.1 Ų26.15%0.05214%0.141CC..Hα-helixtrans-68.2-27.417900000113.8R127 L128 I287 L288R127-G291 WeakPolarHBondContact CA-O 3.34Å; R127-G291 WeakPolarHBondContact CB-O 3.47Å; L128-G291 PolarHBondContact N-O 2.89Å; I287-G291 PolarHBondContact O-N 3.23Å; L288-G291 PolarHBondContact O-N 2.91Å; L288-G291 VanDerWaalsContact O-N 3.15Å
292F92.8Very high90Very high8 Ų826.1 Ų26.14%0.03514%0.141CC..THydrogen-bonded Turntrans-88.3-0.7172.4-79.9-84.3000114.3P119 I121 R127 W132 Q134 I136 L288 Q290P119-F292 HydrophobicContact CB-CB 3.56Å; P119-F292 HydrophobicContact CB-CD1 3.94Å; P119-F292 HydrophobicContact CB-CD2 3.85Å; P119-F292 HydrophobicContact CB-CG 3.5Å; P119-F292 HydrophobicContact CG-CB 4.25Å; P119-F292 HydrophobicContact CG-CD1 3.84Å; P119-F292 HydrophobicContact CG-CD2 3.6Å; P119-F292 HydrophobicContact CG-CE1 4.02Å; P119-F292 HydrophobicContact CG-CE2 3.8Å; P119-F292 HydrophobicContact CG-CG 3.62Å; P119-F292 HydrophobicContact CG-CZ 4Å; I121-F292 HydrophobicContact CD1-CE1 4.19Å; I121-F292 HydrophobicContact CG1-CD1 4.36Å; I121-F292 HydrophobicContact CG1-CE1 4.45Å; R127-F292 HydrophobicContact CG-CD1 4.23Å; W132-F292 HydrophobicContact CB-CE1 4.01Å; W132-F292 HydrophobicContact CB-CZ 3.77Å; W132-F292 HydrophobicContact CD2-CE2 4.13Å; W132-F292 HydrophobicContact CD2-CZ 4.23Å; W132-F292 AromaticContact CE3-CD2 3.86Å; W132-F292 HydrophobicContact CE3-CD2 3.86Å; W132-F292 AromaticContact CE3-CE2 3.5Å; W132-F292 HydrophobicContact CE3-CE2 3.5Å; W132-F292 VanDerWaalsContact CE3-CE2 3.5Å; W132-F292 AromaticContact CE3-CZ 3.93Å; W132-F292 HydrophobicContact CE3-CZ 3.93Å; W132-F292 HydrophobicContact CG-CZ 4.21Å; W132-F292 HydrophobicContact CZ3-CD2 4.16Å; W132-F292 HydrophobicContact CZ3-CE2 4.05Å; Q134-F292 WeakPolarHBondContact O-CZ 3.44Å; I136-F292 HydrophobicContact CB-CE2 4.43Å; I136-F292 HydrophobicContact CD1-CE2 4.4Å; I136-F292 HydrophobicContact CG1-CE2 4.45Å; I136-F292 HydrophobicContact CG1-CZ 4.38Å; L288-F292 HydrophobicContact CD2-CE2 4.21Å; L288-F292 VanDerWaalsContact O-CD2 3.28Å; L288-F292 WeakPolarHBondContact O-CD2 3.38Å; L288-F292 PolarHBondContact O-N 3.39Å; Q290-F292 VanDerWaalsContact C-N 3.29Å; Q290-F292 PolarHBondContact O-N 3.48Å
293G90.4Very high90.4Very high3 Ų324.8 Ų24.83%0.03114%0.135CC..SBendtrans132.1-66.8169.600000113A289 Q290 C386A289-G293 PolarHBondContact O-N 2.94Å; Q290-G293 PolarHBondContact NE2-O 2.99Å; Q290-G293 PolarHBondContact O-N 3.4Å; Q290-G293 VanDerWaalsContact O-N 3.15Å; G293-C386 PolarHBondContact O-SG 2.68Å
294S89.8Confident90.6Very high14 Ų1422.3 Ų22.310%0.09812%0.119CC..  trans-147.5148.5-174174.70000111.5A289 G296 L297 D382A289-S294 PolarHBondContact O-N 3.48Å; S294-G296 PolarHBondContact O-N 2.91Å; S294-G296 VanDerWaalsContact O-N 3.17Å; S294-G296 PolarHBondContact OG-N 3.15Å; S294-G296 VanDerWaalsContact OG-N 3.1Å; S294-L297 PolarHBondContact O-N 3.3Å; S294-D382 VanDerWaalsContact CB-OD2 3.27Å; S294-D382 WeakPolarHBondContact CB-OD2 3.23Å; S294-D382 PolarHBondContact OG-OD2 3.21Å
295L86.4Confident90.1Very high69 Ų6923.4 Ų23.436%0.36113%0.129SC..G310 helixtrans-56.2-26.9168.4-73.4167.3000112.6A289 L297 M298 H316A289-L295 HydrophobicContact CB-CD2 3.63Å; A289-L295 HydrophobicContact CB-CG 4.43Å; L295-L297 PolarHBondContact O-N 2.79Å; L295-M298 PolarHBondContact O-N 2.82Å; L295-H316 HydrophobicContact CB-CB 4.22Å
296G88.7Confident90.1Very high4 Ų427.1 Ų27.14%0.04115%0.149CC..G310 helixtrans-69.5-8.817400000114.5S294 A338S294-G296 PolarHBondContact O-N 2.91Å; S294-G296 VanDerWaalsContact O-N 3.17Å; S294-G296 PolarHBondContact OG-N 3.15Å; S294-G296 VanDerWaalsContact OG-N 3.1Å; G296-A338 WeakPolarHBondContact O-CB 3.47Å; G296-A338 PolarHBondContact O-N 3.18Å; G296-A338 VanDerWaalsContact O-N 3.08Å
297L93.2Very high90.3Very high2 Ų225.1 Ų25.11%0.0115%0.148CC..G310 helixtrans-111.635.6176-63.3-178.2000111.5P119 I120 I125 S294 L295 I337 L383P119-L297 CarbonylContact C-O 3.59Å; P119-L297 VanDerWaalsContact CA-O 3.28Å; P119-L297 WeakPolarHBondContact CA-O 3.46Å; I120-L297 HydrophobicContact CB-CB 4.2Å; I120-L297 HydrophobicContact CB-CD2 4.32Å; I120-L297 HydrophobicContact CG2-CD2 4.43Å; I120-L297 PolarHBondContact N-O 3.48Å; I125-L297 HydrophobicContact CG2-CD1 4.49Å; S294-L297 PolarHBondContact O-N 3.3Å; L295-L297 PolarHBondContact O-N 2.79Å; L297-I337 HydrophobicContact CD2-CB 4.34Å; L297-I337 HydrophobicContact CD2-CD1 3.81Å; L297-I337 HydrophobicContact CD2-CG2 4.15Å; L297-L383 HydrophobicContact CD1-CD2 3.5Å; L297-L383 HydrophobicContact CD2-CD1 4.39Å; L297-L383 HydrophobicContact CD2-CD2 4.41Å; L297-L383 HydrophobicContact CG-CD2 3.82Å
298M92.9Very high90.4Very high2 Ų226.8 Ų26.81%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-131.7123.1177.9-176.665.668.600110.2R117 E118 P119 L288 A289 L295 A315 A338R117-M298 HydrophobicContact CB-CG 4.31Å; R117-M298 HydrophobicContact CB-SD 3.88Å; E118-M298 PolarHBondContact N-SD 2.84Å; E118-M298 VanDerWaalsContact O-SD 3.32Å; P119-M298 HydrophobicContact CB-CE 3.85Å; P119-M298 HydrophobicContact CB-SD 4.45Å; P119-M298 HydrophobicContact CG-CE 4.4Å; P119-M298 VanDerWaalsContact N-SD 3.39Å; L288-M298 HydrophobicContact CB-CE 4.23Å; A289-M298 HydrophobicContact CB-CB 4.11Å; A289-M298 HydrophobicContact CB-CE 3.66Å; A289-M298 HydrophobicContact CB-CG 4.23Å; L295-M298 PolarHBondContact O-N 2.82Å; M298-A315 HydrophobicContact CB-CB 3.86Å; M298-A315 HydrophobicContact CG-CB 3.5Å; M298-A315 VanDerWaalsContact CG-CB 3.5Å; M298-A315 PolarHBondContact O-N 3.12Å; M298-A338 WeakPolarHBondContact O-CB 3.44Å
299T93.1Very high90.6Very high10 Ų1026.9 Ų26.96%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-83.2155.6172.262.30000110.6R117 E118 I120 F341R117-T299 VanDerWaalsContact CA-O 3.25Å; R117-T299 WeakPolarHBondContact CA-O 3.3Å; E118-T299 PolarHBondContact N-O 2.86Å; E118-T299 PolarHBondContact O-N 2.73Å; E118-T299 PolarHBondContact O-OG1 3.01Å; I120-T299 HydrophobicContact CD1-CG2 3.86Å; I120-T299 HydrophobicContact CG1-CG2 3.86Å; T299-F341 HydrophobicContact CG2-CB 3.73Å; T299-F341 HydrophobicContact CG2-CD1 3.69Å; T299-F341 HydrophobicContact CG2-CG 4.09Å
300S93.2Very high91.1Very high1 Ų127.3 Ų27.31%0.00716%0.155CC..EExtended strand (participates in β ladder)trans-139.9118172.6-1770000109.2V115 F116 E313V115-S300 VanDerWaalsContact CG1-OG 3.24Å; V115-S300 WeakPolarHBondContact CG1-OG 3.21Å; F116-S300 CarbonylContact O-C 3.6Å; F116-S300 WeakPolarHBondContact O-CA 3.16Å; S300-E313 WeakPolarHBondContact CB-O 3.38Å; S300-E313 PolarHBondContact N-O 2.93Å; S300-E313 PolarHBondContact O-N 2.97Å
301V95.4Very high91.8Very high16 Ų1622.6 Ų22.610%0.09713%0.133CC..EExtended strand (participates in β ladder)trans-128.4114.5-179.5-174.10000109.5F116 V303 I310 E311 A312 R345F116-V301 PolarHBondContact N-O 2.92Å; F116-V301 PolarHBondContact O-N 3.29Å; V301-V303 HydrophobicContact CG1-CG2 3.97Å; V301-I310 HydrophobicContact CG1-CB 4.13Å; V301-I310 HydrophobicContact CG1-CD1 4.19Å; V301-I310 HydrophobicContact CG1-CG2 4.48Å; V301-E311 CarbonylContact C-O 3.54Å; V301-E311 WeakPolarHBondContact CA-O 3.37Å; V301-A312 HydrophobicContact CG2-CB 4.26Å; V301-R345 HydrophobicContact CG2-CB 4.31Å; V301-R345 HydrophobicContact CG2-CG 4.49Å
302L93.6Very high92.1Very high0 Ų022.3 Ų22.30%013%0.13CC..EExtended strand (participates in β ladder)trans-72.6123165.3-17971.8000108.9R108 L111 G113 T114 V115 I310 E311R108-L302 HydrophobicContact CG-CD1 4.13Å; R108-L302 HydrophobicContact CG-CD2 4.02Å; L111-L302 HydrophobicContact CB-CD2 3.94Å; L111-L302 HydrophobicContact CD1-CD2 3.67Å; L111-L302 HydrophobicContact CG-CD2 4.39Å; G113-L302 VanDerWaalsContact C-CD1 3.45Å; T114-L302 CarbonylContact O-C 3.59Å; T114-L302 WeakPolarHBondContact O-CA 3.48Å; V115-L302 HydrophobicContact CG2-CB 4.45Å; V115-L302 HydrophobicContact CG2-CD1 3.77Å; L302-I310 WeakPolarHBondContact O-CA 3.42Å; L302-I310 WeakPolarHBondContact O-CB 3.22Å; L302-E311 HydrophobicContact CB-CB 4.19Å; L302-E311 HydrophobicContact CD2-CB 4.39Å; L302-E311 PolarHBondContact N-O 2.86Å; L302-E311 PolarHBondContact O-N 3.02Å
303V92.3Very high92.2Very high20 Ų2022.2 Ų22.212%0.12113%0.13CC..EExtended strand (participates in β ladder)trans-115.7124.3175.6-179.40000108.7G113 T114 F116 Y206 V301 I310G113-V303 CarbonylContact C-O 3.45Å; G113-V303 VanDerWaalsContact CA-O 3.25Å; G113-V303 WeakPolarHBondContact CA-O 3.31Å; T114-V303 PolarHBondContact N-O 3.34Å; T114-V303 PolarHBondContact O-N 3.43Å; F116-V303 HydrophobicContact CD2-CB 3.99Å; F116-V303 HydrophobicContact CD2-CG2 3.7Å; F116-V303 HydrophobicContact CE2-CB 3.88Å; F116-V303 HydrophobicContact CE2-CG2 4.05Å; Y206-V303 HydrophobicContact CD2-CG2 4.47Å; V301-V303 HydrophobicContact CG1-CG2 3.97Å; V303-I310 HydrophobicContact CG2-CG2 4.28Å
304C91Very high92.2Very high4 Ų422.4 Ų22.43%0.02713%0.131CC..  trans-81.1153.4176.5-59.20000110.8D306 G307 T309C304-D306 WeakPolarHBondContact CB-OD1 3.28Å; C304-D306 PolarHBondContact O-N 3.2Å; C304-D306 VanDerWaalsContact O-N 3.13Å; C304-G307 PolarHBondContact O-N 3.16Å; C304-T309 WeakPolarHBondContact CB-O 3.39Å; C304-T309 PolarHBondContact N-O 3.34Å; C304-T309 PolarHBondContact SG-O 2.74Å; C304-T309 VanDerWaalsContact SG-O 3.34Å
305P85Confident92.1Very high57 Ų5722.3 Ų22.337%0.3713%0.131SC..THydrogen-bonded Turntrans-68.8-10.9-177.328.5-36000114G112 G307G112-P305 WeakPolarHBondContact O-CD 3.06Å; P305-G307 PolarHBondContact O-N 3.1Å
306D89.4Confident92.2Very high80 Ų8020.3 Ų20.343%0.42812%0.12SC..THydrogen-bonded Turntrans-68.8-10173.568.11.3000113.3C304 K308 T309C304-D306 WeakPolarHBondContact CB-OD1 3.28Å; C304-D306 PolarHBondContact O-N 3.2Å; C304-D306 VanDerWaalsContact O-N 3.13Å; D306-K308 PolarHBondContact O-N 3.42Å; D306-K308 PolarHBondContact OD1-N 3.03Å; D306-T309 PolarHBondContact OD1-N 3.31Å; D306-T309 WeakPolarHBondContact OD2-CB 3.4Å; D306-T309 PolarHBondContact OD2-OG1 3.4Å
307G84.9Confident92.3Very high40 Ų4022.4 Ų22.441%0.41214%0.141SC..SBendtrans68.113.8-177.700000113.7C304 P305C304-G307 PolarHBondContact O-N 3.16Å; P305-G307 PolarHBondContact O-N 3.1Å
308K92.9Very high92.4Very high122 Ų12222.9 Ų22.953%0.5314%0.144SC..SBendtrans-128.9-42.9-174.1-67179.9-176178.90113D306 H349D306-K308 PolarHBondContact O-N 3.42Å; D306-K308 PolarHBondContact OD1-N 3.03Å; K308-H349 PolarHBondContact O-NE2 3.47Å
309T96.5Very high92.5Very high6 Ų624.8 Ų24.84%0.03716%0.156CC..  trans-87.7125.7-172.8-56.60000110.6T72 N76 L111 C304 D306T72-T309 HydrophobicContact CG2-CG2 4.13Å; N76-T309 CarbonylContact O-C 3.57Å; N76-T309 VanDerWaalsContact O-CA 3.3Å; N76-T309 WeakPolarHBondContact O-CA 3.34Å; N76-T309 PolarHBondContact OD1-OG1 2.97Å; L111-T309 HydrophobicContact CD2-CG2 4.32Å; C304-T309 WeakPolarHBondContact CB-O 3.39Å; C304-T309 PolarHBondContact N-O 3.34Å; C304-T309 PolarHBondContact SG-O 2.74Å; C304-T309 VanDerWaalsContact SG-O 3.34Å; D306-T309 PolarHBondContact OD1-N 3.31Å; D306-T309 WeakPolarHBondContact OD2-CB 3.4Å; D306-T309 PolarHBondContact OD2-OG1 3.4Å
310I96.4Very high92.6Very high10 Ų1026.2 Ų26.25%0.05117%0.165CC..EExtended strand (participates in β ladder)trans-131.2154.9174.374.9165.3000112.8N76 V77 A78 V301 L302 V303 H349N76-I310 PolarHBondContact O-N 3.4Å; V77-I310 HydrophobicContact CG1-CG1 4.35Å; A78-I310 PolarHBondContact N-O 2.98Å; V301-I310 HydrophobicContact CG1-CB 4.13Å; V301-I310 HydrophobicContact CG1-CD1 4.19Å; V301-I310 HydrophobicContact CG1-CG2 4.48Å; L302-I310 WeakPolarHBondContact O-CA 3.42Å; L302-I310 WeakPolarHBondContact O-CB 3.22Å; V303-I310 HydrophobicContact CG2-CG2 4.28Å; I310-H349 HydrophobicContact CD1-CB 3.36Å; I310-H349 VanDerWaalsContact CD1-CG 3.48Å; I310-H349 HydrophobicContact CG1-CB 4.22Å
311E98.1Very high92.7Very high1 Ų135.1 Ų35.11%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-129.9125.5163.8176-83.913600108.2A78 K80 L111 V301 L302 E313A78-E311 HydrophobicContact CB-CB 4.06Å; A78-E311 HydrophobicContact CB-CG 3.94Å; A78-E311 WeakPolarHBondContact O-CA 3.36Å; K80-E311 HydrophobicContact CB-CG 4.36Å; K80-E311 VanDerWaalsContact CB-OE1 3.23Å; K80-E311 WeakPolarHBondContact CB-OE1 3.35Å; L111-E311 HydrophobicContact CD1-CB 4.15Å; V301-E311 CarbonylContact C-O 3.54Å; V301-E311 WeakPolarHBondContact CA-O 3.37Å; L302-E311 HydrophobicContact CB-CB 4.19Å; L302-E311 HydrophobicContact CD2-CB 4.39Å; L302-E311 PolarHBondContact N-O 2.86Å; L302-E311 PolarHBondContact O-N 3.02Å; E311-E313 WeakPolarHBondContact OE1-CB 3.43Å
312A97.4Very high92.8Very high0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-111.6126.7-178.700000110.8A78 V79 K80 V301 A342 R345A78-A312 PolarHBondContact O-N 2.81Å; V79-A312 WeakPolarHBondContact CA-O 3.44Å; K80-A312 PolarHBondContact N-O 3.14Å; V301-A312 HydrophobicContact CG2-CB 4.26Å; A312-A342 WeakPolarHBondContact CB-O 3.43Å; A312-R345 HydrophobicContact CB-CB 4.14Å
313E95.4Very high93Very high6 Ų638.9 Ų38.93%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-134.8165.7177.660179.616900111.2K80 N104 R108 S300 E311K80-E313 HydrophobicContact CB-CB 4.28Å; K80-E313 IonicContact NZ-OE2 3.16Å; N104-E313 PolarHBondContact ND2-OE2 3.37Å; N104-E313 PolarHBondContact OD1-OE2 2.73Å; R108-E313 IonicContact CZ-OE1 2.68Å; R108-E313 IonicContact NH2-OE1 3Å; R108-E313 PolarHBondContact NH2-OE1 3.47Å; S300-E313 WeakPolarHBondContact CB-O 3.38Å; S300-E313 PolarHBondContact N-O 2.93Å; S300-E313 PolarHBondContact O-N 2.97Å; E311-E313 WeakPolarHBondContact OE1-CB 3.43Å
314A90.8Very high93.3Very high7 Ų741 Ų416%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-71.4147.7162.800000109.7H316 A338A314-H316 PolarHBondContact O-N 3.12Å; A314-A338 HydrophobicContact CB-CB 3.74Å
315A87.1Confident93.6Very high11 Ų1143.4 Ų43.49%0.09123%0.229CC..SBendtrans-71.3-18.917800000113.9R117 M298R117-A315 PolarHBondContact NH2-O 2.91Å; R117-A315 VanDerWaalsContact NH2-O 3.15Å; M298-A315 HydrophobicContact CB-CB 3.86Å; M298-A315 HydrophobicContact CG-CB 3.5Å; M298-A315 VanDerWaalsContact CG-CB 3.5Å; M298-A315 PolarHBondContact O-N 3.12Å
316H88.8Confident94.2Very high27 Ų2744.5 Ų44.513%0.12523%0.229CC..SBendtrans-90.8162.7-177.563.868.5000113.2L295 A314L295-H316 HydrophobicContact CB-CB 4.22Å; A314-H316 PolarHBondContact O-N 3.12Å
317G90.8Very high94.6Very high48 Ų4845.9 Ų45.950%0.49523%0.233SC..  trans-77.4-161.7173.600000114.1V319G317-V319 PolarHBondContact O-N 3.23Å
318T95.2Very high95.2Very high12 Ų1249.9 Ų49.97%0.07424%0.239CC..  trans-77-2.1-171.856.70000115.4D24 E25 M26 T27 A82 I84 T320D24-T318 HydrophobicContact CB-CG2 4Å; E25-T318 WeakPolarHBondContact OE2-CB 3.46Å; E25-T318 PolarHBondContact OE2-OG1 3.3Å; M26-T318 WeakPolarHBondContact CB-O 3.46Å; M26-T318 PolarHBondContact N-O 2.85Å; T27-T318 WeakPolarHBondContact OG1-CA 3.39Å; A82-T318 HydrophobicContact CB-CG2 3.97Å; I84-T318 HydrophobicContact CG1-CG2 4.14Å; T318-T320 PolarHBondContact O-N 3.43Å; T318-T320 PolarHBondContact OG1-OG1 3Å
319V95.6Very high95.4Very high43 Ų4347.5 Ų47.526%0.26125%0.25SC..  trans57.445179.4-155.10000112.7M26 T27 G317 R321 H322 Y323 T334M26-V319 HydrophobicContact CB-CB 4.19Å; T27-V319 HydrophobicContact CG2-CG2 4.45Å; G317-V319 PolarHBondContact O-N 3.23Å; V319-R321 PolarHBondContact O-N 3.16Å; V319-H322 HydrophobicContact CG1-CB 3.82Å; V319-H322 PolarHBondContact O-N 2.96Å; V319-Y323 PolarHBondContact O-N 3.5Å; V319-Y323 VanDerWaalsContact O-N 3.15Å; V319-T334 HydrophobicContact CB-CG2 4.24Å; V319-T334 HydrophobicContact CG1-CG2 4.09Å; V319-T334 HydrophobicContact CG2-CG2 3.96Å
320T95.4Very high95.4Very high40 Ų4053.8 Ų53.825%0.24527%0.273CS..Hα-helixtrans-44.8-43.8-177.2-50.60000113.9E25 R90 T318 H322 Y323 R324E25-T320 WeakPolarHBondContact OE1-CG2 3.46Å; E25-T320 PolarHBondContact OE1-OG1 3.18Å; E25-T320 VanDerWaalsContact OE2-CA 3.22Å; E25-T320 WeakPolarHBondContact OE2-CA 3.41Å; E25-T320 VanDerWaalsContact OE2-CB 3.31Å; E25-T320 WeakPolarHBondContact OE2-CB 3.4Å; E25-T320 PolarHBondContact OE2-N 3.46Å; E25-T320 PolarHBondContact OE2-OG1 3.3Å; R90-T320 PolarHBondContact NH2-OG1 2.93Å; T318-T320 PolarHBondContact O-N 3.43Å; T318-T320 PolarHBondContact OG1-OG1 3Å; T320-H322 VanDerWaalsContact C-N 3.26Å; T320-H322 PolarHBondContact O-N 3.04Å; T320-Y323 CarbonylContact O-C 3.51Å; T320-Y323 WeakPolarHBondContact O-CA 3.43Å; T320-Y323 WeakPolarHBondContact O-CB 3.18Å; T320-Y323 PolarHBondContact O-N 2.97Å; T320-R324 HydrophobicContact CG2-CG 4.34Å; T320-R324 WeakPolarHBondContact O-CG 3.44Å; T320-R324 PolarHBondContact O-N 3.4Å
321R95.4Very high95.3Very high188 Ų18858 Ų5871%0.70930%0.301SS*.Hα-helixtrans-57.4-40-179.7-171.8-179.27091.32112.3V319V319-R321 PolarHBondContact O-N 3.16Å
322H97.6Very high95.3Very high37 Ų3759 Ų5917%0.17131%0.307CS..Hα-helixtrans-74.6-38.5176.8-69.9-160.8000110.5M26 V319 T320 R324 E325 H326 T332 T334M26-H322 HydrophobicContact CG-CB 4.23Å; M26-H322 HydrophobicContact SD-CB 4.49Å; V319-H322 HydrophobicContact CG1-CB 3.82Å; V319-H322 PolarHBondContact O-N 2.96Å; T320-H322 VanDerWaalsContact C-N 3.26Å; T320-H322 PolarHBondContact O-N 3.04Å; H322-R324 VanDerWaalsContact C-N 3.28Å; H322-R324 PolarHBondContact O-N 3.06Å; H322-E325 PolarHBondContact O-N 2.93Å; H322-H326 PolarHBondContact O-N 3.37Å; H322-T332 HydrophobicContact CB-CG2 4.23Å; H322-T332 VanDerWaalsContact O-CG2 3.27Å; H322-T332 WeakPolarHBondContact O-CG2 3.5Å; H322-T334 WeakPolarHBondContact CB-OG1 3.33Å; H322-T334 PolarHBondContact ND1-OG1 3.38Å
323Y98Very high95.3Very high58 Ų5859.5 Ų59.523%0.22731%0.31CS..Hα-helixtrans-58-39.1174.4-172.2-116000112.6E25 I29 V319 T320 E325 H326 Q327E25-Y323 HydrophobicContact CB-CD1 3.66Å; E25-Y323 HydrophobicContact CB-CD2 3.88Å; E25-Y323 HydrophobicContact CB-CE1 4.18Å; E25-Y323 HydrophobicContact CB-CE2 4.37Å; E25-Y323 HydrophobicContact CB-CG 3.49Å; E25-Y323 VanDerWaalsContact CB-CG 3.49Å; E25-Y323 HydrophobicContact CG-CD1 3.63Å; E25-Y323 HydrophobicContact CG-CE1 3.99Å; E25-Y323 HydrophobicContact CG-CG 4.02Å; I29-Y323 HydrophobicContact CD1-CD2 4.08Å; I29-Y323 HydrophobicContact CD1-CE2 3.96Å; V319-Y323 PolarHBondContact O-N 3.5Å; V319-Y323 VanDerWaalsContact O-N 3.15Å; T320-Y323 CarbonylContact O-C 3.51Å; T320-Y323 WeakPolarHBondContact O-CA 3.43Å; T320-Y323 WeakPolarHBondContact O-CB 3.18Å; T320-Y323 PolarHBondContact O-N 2.97Å; Y323-E325 VanDerWaalsContact C-N 3.29Å; Y323-E325 PolarHBondContact O-N 3.13Å; Y323-H326 WeakPolarHBondContact O-CB 3.49Å; Y323-H326 PolarHBondContact O-N 3.16Å; Y323-Q327 HydrophobicContact CD1-CG 4.17Å; Y323-Q327 VanDerWaalsContact CE1-CD 3.47Å; Y323-Q327 HydrophobicContact CE1-CG 3.86Å; Y323-Q327 HydrophobicContact CE2-CG 4.45Å; Y323-Q327 WeakPolarHBondContact O-CG 3.22Å; Y323-Q327 PolarHBondContact O-N 3.46Å
324R97.4Very high95.5Very high63 Ų6359.5 Ų59.524%0.23831%0.311CS..Hα-helixtrans-63.1-32.7174.7-62.3-43-178.4-158.5-1113.7E93 T320 H322 K328E93-R324 IonicContact OE1-CZ 3.18Å; E93-R324 IonicContact OE1-NH1 2.92Å; E93-R324 PolarHBondContact OE1-NH1 2.86Å; E93-R324 IonicContact OE1-NH2 3.74Å; E93-R324 PolarHBondContact OE1-NH2 3.48Å; E93-R324 IonicContact OE2-CZ 2.69Å; E93-R324 IonicContact OE2-NH2 3.77Å; E93-R324 PolarHBondContact OE2-NH2 3.27Å; T320-R324 HydrophobicContact CG2-CG 4.34Å; T320-R324 WeakPolarHBondContact O-CG 3.44Å; T320-R324 PolarHBondContact O-N 3.4Å; H322-R324 VanDerWaalsContact C-N 3.28Å; H322-R324 PolarHBondContact O-N 3.06Å; R324-K328 WeakPolarHBondContact O-CD 3.09Å; R324-K328 WeakPolarHBondContact O-CE 3.01Å; R324-K328 WeakPolarHBondContact O-CG 3.45Å
325E98.2Very high95.8Very high55 Ų5559.5 Ų59.526%0.25731%0.31SS..Hα-helixtrans-75.7-38.8174.1-65.3-57.9102.200110.9H322 Y323 Q327 K328 G329 R330 T332H322-E325 PolarHBondContact O-N 2.93Å; Y323-E325 VanDerWaalsContact C-N 3.29Å; Y323-E325 PolarHBondContact O-N 3.13Å; E325-Q327 PolarHBondContact O-N 3.38Å; E325-K328 WeakPolarHBondContact O-CB 3.45Å; E325-K328 PolarHBondContact O-N 2.93Å; E325-K328 IonicContact OE1-NZ 3.67Å; E325-K328 PolarHBondContact OE1-NZ 2.75Å; E325-G329 PolarHBondContact O-N 3.02Å; E325-R330 HydrophobicContact CB-CB 4.18Å; E325-R330 WeakPolarHBondContact O-CB 3.09Å; E325-R330 PolarHBondContact O-N 2.92Å; E325-R330 IonicContact OE1-NH1 3.97Å; E325-R330 WeakPolarHBondContact OE2-CD 3.41Å; E325-R330 IonicContact OE2-CZ 3.03Å; E325-R330 IonicContact OE2-NE 2.77Å; E325-R330 IonicContact OE2-NH1 2.75Å; E325-R330 PolarHBondContact OE2-NH1 3.45Å; E325-T332 HydrophobicContact CB-CG2 4.3Å
326H97.7Very high96.3Very high81 Ų8159 Ų5938%0.37531%0.306SS..Hα-helixtrans-57.9-45172175.380.3000112.1M26 I29 H322 Y323 K328 G329 T332M26-H326 HydrophobicContact SD-CB 4.24Å; I29-H326 VanDerWaalsContact CD1-CD2 3.4Å; I29-H326 WeakPolarHBondContact CD1-CD2 3.18Å; I29-H326 VanDerWaalsContact CD1-NE2 3.31Å; I29-H326 WeakPolarHBondContact CD1-NE2 3.38Å; H322-H326 PolarHBondContact O-N 3.37Å; Y323-H326 WeakPolarHBondContact O-CB 3.49Å; Y323-H326 PolarHBondContact O-N 3.16Å; H326-K328 PolarHBondContact O-N 2.57Å; H326-K328 VanDerWaalsContact O-N 3.13Å; H326-G329 WeakPolarHBondContact O-CA 3.18Å; H326-G329 PolarHBondContact O-N 3.3Å; H326-T332 HydrophobicContact CB-CG2 4.03Å
327Q97.1Very high96.8Very high108 Ų10857.8 Ų57.851%0.50530%0.3SS..Hα-helixtrans-58.9-25175.7-73.5-177.7-60.100113.1Y323 E325 G329Y323-Q327 HydrophobicContact CD1-CG 4.17Å; Y323-Q327 VanDerWaalsContact CE1-CD 3.47Å; Y323-Q327 HydrophobicContact CE1-CG 3.86Å; Y323-Q327 HydrophobicContact CE2-CG 4.45Å; Y323-Q327 WeakPolarHBondContact O-CG 3.22Å; Y323-Q327 PolarHBondContact O-N 3.46Å; E325-Q327 PolarHBondContact O-N 3.38Å; Q327-G329 VanDerWaalsContact C-N 3.34Å
328K97.9Very high97Very high124 Ų12455.5 Ų55.554%0.53928%0.276SS..THydrogen-bonded Turntrans-904.2175.5-61.9167.6-165165.90113.1R324 E325 H326 R330R324-K328 WeakPolarHBondContact O-CD 3.09Å; R324-K328 WeakPolarHBondContact O-CE 3.01Å; R324-K328 WeakPolarHBondContact O-CG 3.45Å; E325-K328 WeakPolarHBondContact O-CB 3.45Å; E325-K328 PolarHBondContact O-N 2.93Å; E325-K328 IonicContact OE1-NZ 3.67Å; E325-K328 PolarHBondContact OE1-NZ 2.75Å; H326-K328 PolarHBondContact O-N 2.57Å; H326-K328 VanDerWaalsContact O-N 3.13Å; K328-R330 HydrophobicContact CB-CG 4.2Å; K328-R330 PolarHBondContact O-N 3.46Å
329G96.9Very high97.2Very high73 Ų7355.1 Ų55.175%0.75327%0.274SS*.THydrogen-bonded Turntrans68.818.1-173.900000114.1E325 H326 Q327E325-G329 PolarHBondContact O-N 3.02Å; H326-G329 WeakPolarHBondContact O-CA 3.18Å; H326-G329 PolarHBondContact O-N 3.3Å; Q327-G329 VanDerWaalsContact C-N 3.34Å
330R96.6Very high97.3Very high138 Ų13853 Ų5352%0.52126%0.262SS..  trans-88.3150.2178.8-68.4175.9177.7178.5-1.9110.9E325 K328E325-R330 HydrophobicContact CB-CB 4.18Å; E325-R330 WeakPolarHBondContact O-CB 3.09Å; E325-R330 PolarHBondContact O-N 2.92Å; E325-R330 IonicContact OE1-NH1 3.97Å; E325-R330 WeakPolarHBondContact OE2-CD 3.41Å; E325-R330 IonicContact OE2-CZ 3.03Å; E325-R330 IonicContact OE2-NE 2.77Å; E325-R330 IonicContact OE2-NH1 2.75Å; E325-R330 PolarHBondContact OE2-NH1 3.45Å; K328-R330 HydrophobicContact CB-CG 4.2Å; K328-R330 PolarHBondContact O-N 3.46Å
331P94.2Very high97.5Very high99 Ų9951.6 Ų51.664%0.64325%0.252SS*.  trans-64.7139-179.726.5-34.6000111.8L395P331-L395 HydrophobicContact CB-CD2 4.49Å
332T98Very high97.6Very high20 Ų2042.8 Ų42.812%0.12322%0.219CC..  trans-116.9152.5174.457.80000110.8M26 H322 E325 H326 N401 T402M26-T332 HydrophobicContact SD-CG2 4.36Å; H322-T332 HydrophobicContact CB-CG2 4.23Å; H322-T332 VanDerWaalsContact O-CG2 3.27Å; H322-T332 WeakPolarHBondContact O-CG2 3.5Å; E325-T332 HydrophobicContact CB-CG2 4.3Å; H326-T332 HydrophobicContact CB-CG2 4.03Å; T332-N401 CarbonylContact O-C 3.57Å; T332-N401 VanDerWaalsContact O-CA 3.29Å; T332-N401 WeakPolarHBondContact O-CA 3.28Å; T332-N401 WeakPolarHBondContact O-CB 3.4Å; T332-T402 PolarHBondContact O-N 3.18Å; T332-T402 PolarHBondContact O-OG1 2.91Å
333S98.2Very high97.7Very high11 Ų1141 Ų418%0.07721%0.211CC..  trans-134.465.3172.6-172.50000109T380 K381 V400S333-T380 WeakPolarHBondContact OG-CA 3.4Å; S333-T380 WeakPolarHBondContact OG-CB 3.24Å; S333-K381 PolarHBondContact OG-N 3.27Å; S333-V400 WeakPolarHBondContact CB-O 3.34Å; S333-V400 PolarHBondContact OG-O 3.41Å
334T98.1Very high97.7Very high6 Ų638.2 Ų38.24%0.03720%0.2CC..  trans-81.9129.2171.7-480000109.5M26 I30 V319 H322 P336 T402M26-T334 HydrophobicContact CG-CG2 3.97Å; M26-T334 WeakPolarHBondContact CG-OG1 3.15Å; I30-T334 HydrophobicContact CD1-CG2 3.62Å; V319-T334 HydrophobicContact CB-CG2 4.24Å; V319-T334 HydrophobicContact CG1-CG2 4.09Å; V319-T334 HydrophobicContact CG2-CG2 3.96Å; H322-T334 WeakPolarHBondContact CB-OG1 3.33Å; H322-T334 PolarHBondContact ND1-OG1 3.38Å; T334-P336 WeakPolarHBondContact O-CD 3.43Å; T334-T402 PolarHBondContact N-OG1 3.07Å; T334-T402 PolarHBondContact O-OG1 2.87Å
335N97.6Very high97.7Very high8 Ų838.2 Ų38.24%0.04320%0.2CC..  trans-73.9119.4177.9-171.6-19.7000111.2I337 T380 D382N335-I337 WeakPolarHBondContact OD1-CB 3.44Å; N335-I337 WeakPolarHBondContact OD1-CG1 3.33Å; N335-I337 PolarHBondContact OD1-N 3.25Å; N335-T380 WeakPolarHBondContact CB-OG1 3.47Å; N335-D382 WeakPolarHBondContact CB-OD2 3.37Å; N335-D382 PolarHBondContact ND2-OD2 3.45Å
336P98.2Very high97.8Very high0 Ų035.6 Ų35.60%019%0.188CC..  trans-90.8-4.7-178.837.5-37.2000113.9I30 T334 A338 S339 I340 F405 L406I30-P336 HydrophobicContact CG2-CB 3.51Å; T334-P336 WeakPolarHBondContact O-CD 3.43Å; P336-A338 PolarHBondContact O-N 3.47Å; P336-S339 WeakPolarHBondContact O-CB 3.37Å; P336-S339 PolarHBondContact O-N 2.89Å; P336-I340 HydrophobicContact CB-CD1 4.34Å; P336-I340 HydrophobicContact CG-CD1 4.3Å; P336-I340 WeakPolarHBondContact O-CG1 3.28Å; P336-I340 PolarHBondContact O-N 3.22Å; P336-F405 VanDerWaalsContact CD-CD1 3.41Å; P336-F405 HydrophobicContact CG-CD1 3.52Å; P336-F405 HydrophobicContact CG-CE1 3.74Å; P336-L406 HydrophobicContact CB-CD2 3.65Å; P336-L406 HydrophobicContact CB-CG 4.26Å; P336-L406 HydrophobicContact CG-CD2 3.65Å; P336-L406 HydrophobicContact CG-CG 4.04Å
337I98.4Very high97.8Very high1 Ų131.8 Ų31.81%0.00517%0.17CC..Hα-helixtrans-60.1-48.7-167.1-65.6170.8000111.4I120 L297 N335 S339 I340 F341 C370 V374 L383 F405I120-I337 HydrophobicContact CD1-CG2 3.67Å; I120-I337 HydrophobicContact CG2-CG2 4.45Å; L297-I337 HydrophobicContact CD2-CB 4.34Å; L297-I337 HydrophobicContact CD2-CD1 3.81Å; L297-I337 HydrophobicContact CD2-CG2 4.15Å; N335-I337 WeakPolarHBondContact OD1-CB 3.44Å; N335-I337 WeakPolarHBondContact OD1-CG1 3.33Å; N335-I337 PolarHBondContact OD1-N 3.25Å; I337-S339 PolarHBondContact O-N 3.26Å; I337-I340 WeakPolarHBondContact O-CB 3.45Å; I337-I340 PolarHBondContact O-N 3.31Å; I337-I340 VanDerWaalsContact O-N 3.08Å; I337-F341 HydrophobicContact CG2-CD2 3.71Å; I337-F341 HydrophobicContact CG2-CE2 3.64Å; I337-F341 VanDerWaalsContact O-CD2 3.28Å; I337-F341 WeakPolarHBondContact O-CD2 3.45Å; I337-F341 PolarHBondContact O-N 3.2Å; I337-C370 HydrophobicContact CG1-CB 4.34Å; I337-C370 HydrophobicContact CG2-CB 4.19Å; I337-V374 HydrophobicContact CD1-CG2 3.63Å; I337-L383 HydrophobicContact CD1-CD1 4.33Å; I337-F405 HydrophobicContact CD1-CE1 4.17Å; I337-F405 HydrophobicContact CD1-CZ 3.99Å; I337-F405 HydrophobicContact CG1-CE1 3.93Å; I337-F405 HydrophobicContact CG1-CZ 4.21Å
338A96.3Very high97.9Very high0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-58.6-35176.700000113.2G296 M298 A314 P336 F341 A342G296-A338 WeakPolarHBondContact O-CB 3.47Å; G296-A338 PolarHBondContact O-N 3.18Å; G296-A338 VanDerWaalsContact O-N 3.08Å; M298-A338 WeakPolarHBondContact O-CB 3.44Å; A314-A338 HydrophobicContact CB-CB 3.74Å; P336-A338 PolarHBondContact O-N 3.47Å; A338-F341 PolarHBondContact O-N 2.89Å; A338-A342 PolarHBondContact O-N 2.89Å
339S98.3Very high97.9Very high4 Ų423.2 Ų23.23%0.02813%0.132CC..Hα-helixtrans-71.4-36.3175.7-600000112P336 I337 F341 A342 W343P336-S339 WeakPolarHBondContact O-CB 3.37Å; P336-S339 PolarHBondContact O-N 2.89Å; I337-S339 PolarHBondContact O-N 3.26Å; S339-F341 VanDerWaalsContact C-N 3.33Å; S339-A342 WeakPolarHBondContact O-CB 2.99Å; S339-A342 PolarHBondContact O-N 3.41Å; S339-W343 PolarHBondContact O-N 2.91Å
340I98.8Very high98Very high0 Ų020.4 Ų20.40%010%0.099CC..Hα-helixtrans-63.6-42.9171.2-66.2166.1000110I34 L38 P336 I337 A342 W343 T344 L366 I409I34-I340 HydrophobicContact CD1-CB 4.48Å; I34-I340 HydrophobicContact CD1-CG1 3.61Å; I34-I340 HydrophobicContact CG1-CG1 3.73Å; I34-I340 HydrophobicContact CG2-CG1 4.38Å; L38-I340 HydrophobicContact CD1-CD1 4.02Å; L38-I340 HydrophobicContact CD1-CG1 4.16Å; P336-I340 HydrophobicContact CB-CD1 4.34Å; P336-I340 HydrophobicContact CG-CD1 4.3Å; P336-I340 WeakPolarHBondContact O-CG1 3.28Å; P336-I340 PolarHBondContact O-N 3.22Å; I337-I340 WeakPolarHBondContact O-CB 3.45Å; I337-I340 PolarHBondContact O-N 3.31Å; I337-I340 VanDerWaalsContact O-N 3.08Å; I340-A342 VanDerWaalsContact C-N 3.3Å; I340-A342 PolarHBondContact O-N 3.4Å; I340-W343 WeakPolarHBondContact O-CB 3.43Å; I340-W343 PolarHBondContact O-N 3.44Å; I340-W343 VanDerWaalsContact O-N 3.12Å; I340-T344 HydrophobicContact CG2-CG2 4.32Å; I340-T344 PolarHBondContact O-N 3.15Å; I340-L366 HydrophobicContact CG2-CD1 4.08Å; I340-L366 HydrophobicContact CG2-CD2 3.82Å; I340-L366 HydrophobicContact CG2-CG 3.69Å; I340-I409 HydrophobicContact CD1-CG2 4.23Å
341F98.5Very high98.1Very high9 Ų913.8 Ų13.84%0.0397%0.074CC..Hα-helixtrans-67.5-30.1179.8-86.4-120.4000112.6I120 T299 I337 A338 S339 W343 T344 R345 E367 C370I120-F341 HydrophobicContact CD1-CB 4.05Å; I120-F341 HydrophobicContact CD1-CD1 3.51Å; I120-F341 HydrophobicContact CD1-CD2 3.73Å; I120-F341 HydrophobicContact CD1-CE1 3.76Å; I120-F341 HydrophobicContact CD1-CE2 3.97Å; I120-F341 HydrophobicContact CD1-CG 3.47Å; I120-F341 VanDerWaalsContact CD1-CG 3.47Å; I120-F341 HydrophobicContact CD1-CZ 3.98Å; I120-F341 HydrophobicContact CG1-CD1 3.87Å; I120-F341 HydrophobicContact CG1-CE1 3.82Å; I120-F341 HydrophobicContact CG1-CG 4.35Å; I120-F341 HydrophobicContact CG1-CZ 4.27Å; I120-F341 HydrophobicContact CG2-CE1 4.01Å; I120-F341 HydrophobicContact CG2-CE2 4.35Å; I120-F341 HydrophobicContact CG2-CZ 3.74Å; T299-F341 HydrophobicContact CG2-CB 3.73Å; T299-F341 HydrophobicContact CG2-CD1 3.69Å; T299-F341 HydrophobicContact CG2-CG 4.09Å; I337-F341 HydrophobicContact CG2-CD2 3.71Å; I337-F341 HydrophobicContact CG2-CE2 3.64Å; I337-F341 VanDerWaalsContact O-CD2 3.28Å; I337-F341 WeakPolarHBondContact O-CD2 3.45Å; I337-F341 PolarHBondContact O-N 3.2Å; A338-F341 PolarHBondContact O-N 2.89Å; S339-F341 VanDerWaalsContact C-N 3.33Å; F341-W343 VanDerWaalsContact C-N 3.31Å; F341-W343 PolarHBondContact O-N 3.43Å; F341-T344 VanDerWaalsContact CA-OG1 3.3Å; F341-T344 WeakPolarHBondContact CA-OG1 3.41Å; F341-T344 PolarHBondContact O-N 3.33Å; F341-T344 PolarHBondContact O-OG1 3.25Å; F341-R345 VanDerWaalsContact O-CB 3.24Å; F341-R345 WeakPolarHBondContact O-CB 3.3Å; F341-R345 WeakPolarHBondContact O-CG 3.49Å; F341-R345 PolarHBondContact O-N 3.42Å; F341-E367 HydrophobicContact CD1-CG 3.9Å; F341-E367 HydrophobicContact CD2-CG 4.17Å; F341-E367 HydrophobicContact CE1-CB 3.87Å; F341-E367 HydrophobicContact CE1-CG 3.6Å; F341-E367 HydrophobicContact CE2-CB 3.99Å; F341-E367 HydrophobicContact CE2-CG 3.89Å; F341-E367 HydrophobicContact CG-CG 4.2Å; F341-E367 HydrophobicContact CZ-CB 3.51Å; F341-E367 HydrophobicContact CZ-CG 3.61Å; F341-C370 HydrophobicContact CE2-CB 3.91Å
342A98.2Very high98.2Very high3 Ų314.7 Ų14.73%0.0257%0.068CC..Hα-helixtrans-57.4-46.7169.800000111W31 V79 A312 A338 S339 I340 G346W31-A342 HydrophobicContact CH2-CB 4.43Å; W31-A342 HydrophobicContact CZ3-CB 4.28Å; V79-A342 WeakPolarHBondContact CG1-O 3.42Å; A312-A342 WeakPolarHBondContact CB-O 3.43Å; A338-A342 PolarHBondContact O-N 2.89Å; S339-A342 WeakPolarHBondContact O-CB 2.99Å; S339-A342 PolarHBondContact O-N 3.41Å; I340-A342 VanDerWaalsContact C-N 3.3Å; I340-A342 PolarHBondContact O-N 3.4Å; A342-G346 PolarHBondContact O-N 3.39Å; A342-G346 VanDerWaalsContact O-N 3.14Å
343W98.8Very high98.2Very high0 Ų016.7 Ų16.70%08%0.077CC..Hα-helixtrans-61.9-51.8174.8-82.593.1000112.8E20 W31 I34 K35 I39 L47 V79 S339 I340 F341 R345 G346 L347E20-W343 HydrophobicContact CG-CH2 4.07Å; E20-W343 HydrophobicContact CG-CZ2 4.08Å; W31-W343 AromaticContact CD2-NE1 3.43Å; W31-W343 AromaticContact CE2-CE2 3.71Å; W31-W343 AromaticContact CE2-CZ2 3.7Å; W31-W343 AromaticContact CE2-NE1 3.27Å; W31-W343 VanDerWaalsContact CE2-NE1 3.27Å; W31-W343 AromaticContact CE3-CD1 3.89Å; W31-W343 AromaticContact CE3-NE1 3.43Å; W31-W343 AromaticContact CH2-CD1 3.51Å; W31-W343 HydrophobicContact CH2-CD2 4.48Å; W31-W343 AromaticContact CH2-CE2 3.85Å; W31-W343 HydrophobicContact CH2-CG 4.31Å; W31-W343 HydrophobicContact CH2-CZ2 4.47Å; W31-W343 AromaticContact CH2-NE1 3.18Å; W31-W343 AromaticContact CZ2-CD1 3.97Å; W31-W343 HydrophobicContact CZ2-CD2 4.43Å; W31-W343 AromaticContact CZ2-CE2 3.48Å; W31-W343 VanDerWaalsContact CZ2-CE2 3.48Å; W31-W343 AromaticContact CZ2-CZ2 3.67Å; W31-W343 HydrophobicContact CZ2-CZ2 3.67Å; W31-W343 AromaticContact CZ2-NE1 3.17Å; W31-W343 AromaticContact CZ3-CD1 3.45Å; W31-W343 VanDerWaalsContact CZ3-CD1 3.45Å; W31-W343 AromaticContact CZ3-NE1 3.31Å; W31-W343 VanDerWaalsContact CZ3-NE1 3.31Å; W31-W343 AromaticContact NE1-CZ2 3.73Å; I34-W343 HydrophobicContact CG2-CB 4.4Å; I34-W343 VanDerWaalsContact CG2-CD1 3.44Å; I34-W343 HydrophobicContact CG2-CG 3.88Å; K35-W343 HydrophobicContact CB-CH2 4.43Å; K35-W343 HydrophobicContact CB-CZ2 3.98Å; K35-W343 HydrophobicContact CD-CZ2 4.49Å; K35-W343 HydrophobicContact CG-CH2 4.34Å; K35-W343 HydrophobicContact CG-CZ2 4.34Å; I39-W343 HydrophobicContact CB-CE3 4.41Å; I39-W343 HydrophobicContact CD1-CB 4.08Å; I39-W343 HydrophobicContact CD1-CE3 4.48Å; I39-W343 HydrophobicContact CD1-CG 4.42Å; I39-W343 HydrophobicContact CG1-CB 4.36Å; I39-W343 HydrophobicContact CG1-CD2 3.92Å; I39-W343 HydrophobicContact CG1-CE3 3.86Å; I39-W343 HydrophobicContact CG1-CG 4.16Å; I39-W343 HydrophobicContact CG1-CZ3 4.48Å; I39-W343 HydrophobicContact CG2-CE3 4.02Å; I39-W343 HydrophobicContact CG2-CZ3 4.06Å; L47-W343 HydrophobicContact CD1-CH2 3.87Å; L47-W343 HydrophobicContact CD1-CZ3 4.31Å; L47-W343 HydrophobicContact CD2-CH2 4.1Å; L47-W343 HydrophobicContact CD2-CZ3 3.94Å; V79-W343 HydrophobicContact CG2-CD2 4.11Å; V79-W343 HydrophobicContact CG2-CE3 3.97Å; V79-W343 HydrophobicContact CG2-CH2 4.05Å; V79-W343 HydrophobicContact CG2-CZ2 4.18Å; V79-W343 HydrophobicContact CG2-CZ3 3.94Å; S339-W343 PolarHBondContact O-N 2.91Å; I340-W343 WeakPolarHBondContact O-CB 3.43Å; I340-W343 PolarHBondContact O-N 3.44Å; I340-W343 VanDerWaalsContact O-N 3.12Å; F341-W343 VanDerWaalsContact C-N 3.31Å; F341-W343 PolarHBondContact O-N 3.43Å; W343-R345 VanDerWaalsContact C-N 3.32Å; W343-R345 PolarHBondContact O-N 3.34Å; W343-G346 PolarHBondContact O-N 2.9Å; W343-L347 WeakPolarHBondContact O-CB 3.3Å; W343-L347 WeakPolarHBondContact O-CG 3.46Å; W343-L347 PolarHBondContact O-N 2.89Å
344T98.8Very high98.2Very high0 Ų018.1 Ų18.10%08%0.084CC..Hα-helixtrans-64.7-36.6-176.757.70000111.8I340 F341 L347 E348 S363 L366 E367I340-T344 HydrophobicContact CG2-CG2 4.32Å; I340-T344 PolarHBondContact O-N 3.15Å; F341-T344 VanDerWaalsContact CA-OG1 3.3Å; F341-T344 WeakPolarHBondContact CA-OG1 3.41Å; F341-T344 PolarHBondContact O-N 3.33Å; F341-T344 PolarHBondContact O-OG1 3.25Å; T344-L347 PolarHBondContact O-N 3.15Å; T344-E348 WeakPolarHBondContact O-CB 3.29Å; T344-E348 PolarHBondContact O-N 2.85Å; T344-S363 WeakPolarHBondContact O-CB 3.22Å; T344-S363 PolarHBondContact O-OG 2.95Å; T344-L366 HydrophobicContact CG2-CB 3.87Å; T344-L366 HydrophobicContact CG2-CD2 3.73Å; T344-L366 HydrophobicContact CG2-CG 3.81Å; T344-E367 WeakPolarHBondContact CB-OE1 3.21Å; T344-E367 HydrophobicContact CG2-CG 3.97Å; T344-E367 VanDerWaalsContact OG1-CG 3.22Å; T344-E367 WeakPolarHBondContact OG1-CG 3.47Å; T344-E367 PolarHBondContact OG1-OE1 3.44Å
345R98.1Very high98.2Very high63 Ų6320.8 Ų20.824%0.23811%0.112CC..Hα-helixtrans-67.4-40.4177.1-66.7-71150.8153.8-0.1112V301 A312 F341 W343 H349 E367V301-R345 HydrophobicContact CG2-CB 4.31Å; V301-R345 HydrophobicContact CG2-CG 4.49Å; A312-R345 HydrophobicContact CB-CB 4.14Å; F341-R345 VanDerWaalsContact O-CB 3.24Å; F341-R345 WeakPolarHBondContact O-CB 3.3Å; F341-R345 WeakPolarHBondContact O-CG 3.49Å; F341-R345 PolarHBondContact O-N 3.42Å; W343-R345 VanDerWaalsContact C-N 3.32Å; W343-R345 PolarHBondContact O-N 3.34Å; R345-H349 WeakPolarHBondContact O-CB 3.43Å; R345-H349 PolarHBondContact O-N 2.94Å; R345-H349 VanDerWaalsContact O-N 3.11Å; R345-E367 IonicContact CZ-OE1 3.83Å; R345-E367 IonicContact CZ-OE2 3.76Å; R345-E367 IonicContact NE-OE1 2.85Å; R345-E367 PolarHBondContact NE-OE1 3.42Å; R345-E367 IonicContact NE-OE2 3.15Å; R345-E367 VanDerWaalsContact NH2-CD 3.34Å; R345-E367 IonicContact NH2-OE1 3.54Å; R345-E367 PolarHBondContact NH2-OE1 3.21Å; R345-E367 IonicContact NH2-OE2 3.84Å; R345-E367 PolarHBondContact NH2-OE2 2.57Å
346G98.4Very high98.2Very high0 Ų021.6 Ų21.60%012%0.117CC..Hα-helixtrans-61-50.8171.500000112.3V77 A342 W343 H349 R350V77-G346 VanDerWaalsContact CG1-O 3.27Å; V77-G346 WeakPolarHBondContact CG1-O 3.29Å; A342-G346 PolarHBondContact O-N 3.39Å; A342-G346 VanDerWaalsContact O-N 3.14Å; W343-G346 PolarHBondContact O-N 2.9Å; G346-H349 PolarHBondContact O-N 2.98Å; G346-R350 PolarHBondContact O-N 3.49Å
347L98.8Very high98.2Very high0 Ų025.8 Ų25.80%014%0.144CC..Hα-helixtrans-66.6-39.9-178.9-67.9177.6000113V18 I39 W343 T344 H349 R350 G351 L359 F362 S363V18-L347 HydrophobicContact CG2-CD2 4.31Å; I39-L347 HydrophobicContact CD1-CD1 4.04Å; I39-L347 HydrophobicContact CG2-CD1 3.96Å; W343-L347 WeakPolarHBondContact O-CB 3.3Å; W343-L347 WeakPolarHBondContact O-CG 3.46Å; W343-L347 PolarHBondContact O-N 2.89Å; T344-L347 PolarHBondContact O-N 3.15Å; L347-H349 VanDerWaalsContact C-N 3.3Å; L347-H349 PolarHBondContact O-N 3.31Å; L347-R350 PolarHBondContact O-N 3.05Å; L347-G351 PolarHBondContact O-N 3.43Å; L347-L359 HydrophobicContact CB-CD1 4.06Å; L347-L359 HydrophobicContact CB-CD2 4.48Å; L347-L359 HydrophobicContact CB-CG 4.24Å; L347-L359 HydrophobicContact CD1-CD1 4.45Å; L347-L359 HydrophobicContact CD2-CD1 4.26Å; L347-L359 HydrophobicContact CG-CD1 4.49Å; L347-L359 VanDerWaalsContact O-CD2 3.25Å; L347-L359 WeakPolarHBondContact O-CD2 3.24Å; L347-L359 WeakPolarHBondContact O-CG 3.33Å; L347-F362 HydrophobicContact CD1-CE1 4.17Å; L347-S363 WeakPolarHBondContact CB-OG 3.4Å
348E98.5Very high98.2Very high20 Ų2030.5 Ų30.59%0.09317%0.169CC..Hα-helixtrans-61.9-42.7175.7-165.7-163.7158.300110.3T344 G351 K352 I360 S363T344-E348 WeakPolarHBondContact O-CB 3.29Å; T344-E348 PolarHBondContact O-N 2.85Å; E348-G351 PolarHBondContact O-N 3.38Å; E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 2.69Å; E348-K352 WeakPolarHBondContact OE1-CE 3.41Å; E348-K352 IonicContact OE1-NZ 3.67Å; E348-K352 PolarHBondContact OE1-NZ 2.92Å; E348-K352 IonicContact OE2-NZ 2.65Å; E348-I360 HydrophobicContact CG-CB 4.48Å; E348-I360 HydrophobicContact CG-CG1 4.37Å; E348-I360 HydrophobicContact CG-CG2 4.09Å; E348-S363 PolarHBondContact N-OG 3.36Å
349H98Very high98.3Very high33 Ų3330.5 Ų30.515%0.15317%0.169CC..Hα-helixtrans-68-41.1176.9-168.671.8000112.5K308 I310 R345 G346 L347 G351 K352 L353K308-H349 PolarHBondContact O-NE2 3.47Å; I310-H349 HydrophobicContact CD1-CB 3.36Å; I310-H349 VanDerWaalsContact CD1-CG 3.48Å; I310-H349 HydrophobicContact CG1-CB 4.22Å; R345-H349 WeakPolarHBondContact O-CB 3.43Å; R345-H349 PolarHBondContact O-N 2.94Å; R345-H349 VanDerWaalsContact O-N 3.11Å; G346-H349 PolarHBondContact O-N 2.98Å; L347-H349 VanDerWaalsContact C-N 3.3Å; L347-H349 PolarHBondContact O-N 3.31Å; H349-G351 VanDerWaalsContact C-N 3.26Å; H349-G351 PolarHBondContact O-N 2.83Å; H349-K352 WeakPolarHBondContact O-CB 3.31Å; H349-K352 PolarHBondContact O-N 3.18Å; H349-K352 VanDerWaalsContact O-N 3.14Å; H349-L353 WeakPolarHBondContact O-CG 3.23Å; H349-L353 PolarHBondContact O-N 2.74Å
350R98.7Very high98.4Very high13 Ų1332 Ų325%0.04918%0.177CC..Hα-helixtrans-56.4-43.4170.2-178.168.2-82.2161.5-4.8111V14 V18 Y75 V77 G346 L347 K352 L353 D354 L359V14-R350 HydrophobicContact CG1-CG 3.77Å; V18-R350 HydrophobicContact CG2-CB 4.07Å; V18-R350 HydrophobicContact CG2-CG 3.92Å; Y75-R350 PolarHBondContact O-NH1 3.44Å; V77-R350 HydrophobicContact CG2-CB 4.24Å; G346-R350 PolarHBondContact O-N 3.49Å; L347-R350 PolarHBondContact O-N 3.05Å; R350-K352 PolarHBondContact O-N 3.41Å; R350-L353 PolarHBondContact O-N 2.87Å; R350-D354 IonicContact CZ-OD1 2.68Å; R350-D354 IonicContact CZ-OD2 3.91Å; R350-D354 VanDerWaalsContact NE-CG 3.29Å; R350-D354 IonicContact NE-OD1 3.26Å; R350-D354 PolarHBondContact NE-OD1 2.95Å; R350-D354 IonicContact NE-OD2 3.5Å; R350-D354 PolarHBondContact NE-OD2 2.83Å; R350-D354 VanDerWaalsContact NE-OD2 3.15Å; R350-D354 IonicContact NH2-OD1 2.73Å; R350-D354 PolarHBondContact NH2-OD1 2.86Å; R350-D354 WeakPolarHBondContact O-CB 3.36Å; R350-D354 VanDerWaalsContact O-CG 3.31Å; R350-D354 PolarHBondContact O-N 2.76Å; R350-L359 HydrophobicContact CB-CD2 4.18Å; R350-L359 HydrophobicContact CG-CD2 4.15Å
351G98.5Very high98.3Very high0 Ų038.6 Ų38.60%021%0.205CC..Hα-helixtrans-62.7-39.1176.400000112.8L347 E348 H349 D354 G355 N356L347-G351 PolarHBondContact O-N 3.43Å; E348-G351 PolarHBondContact O-N 3.38Å; H349-G351 VanDerWaalsContact C-N 3.26Å; H349-G351 PolarHBondContact O-N 2.83Å; G351-D354 PolarHBondContact O-N 3.13Å; G351-G355 CarbonylContact O-C 3.51Å; G351-G355 WeakPolarHBondContact O-CA 3.33Å; G351-G355 PolarHBondContact O-N 2.95Å; G351-N356 PolarHBondContact O-N 3.39Å
352K97.4Very high98.4Very high118 Ų11838.4 Ų38.451%0.51320%0.204SC..Hα-helixtrans-63.6-46.6173.6-72.3168.1-174.3162.20111.9E348 H349 R350 D354 G355 I360E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 2.69Å; E348-K352 WeakPolarHBondContact OE1-CE 3.41Å; E348-K352 IonicContact OE1-NZ 3.67Å; E348-K352 PolarHBondContact OE1-NZ 2.92Å; E348-K352 IonicContact OE2-NZ 2.65Å; H349-K352 WeakPolarHBondContact O-CB 3.31Å; H349-K352 PolarHBondContact O-N 3.18Å; H349-K352 VanDerWaalsContact O-N 3.14Å; R350-K352 PolarHBondContact O-N 3.41Å; K352-D354 VanDerWaalsContact C-N 3.31Å; K352-D354 PolarHBondContact O-N 2.78Å; K352-G355 PolarHBondContact O-N 3.25Å; K352-I360 HydrophobicContact CG-CD1 3.98Å; K352-I360 HydrophobicContact CG-CG1 4.46Å
353L97.6Very high98.4Very high62 Ų6238.2 Ų38.233%0.32520%0.203SC..Hα-helixtrans-66.4-32.7179.6-67.6178.8000112.6N76 V77 H349 R350N76-L353 HydrophobicContact CB-CD1 3.9Å; V77-L353 HydrophobicContact CG2-CD1 4.01Å; H349-L353 WeakPolarHBondContact O-CG 3.23Å; H349-L353 PolarHBondContact O-N 2.74Å; R350-L353 PolarHBondContact O-N 2.87Å
354D98.1Very high98.4Very high41 Ų4142.9 Ų42.922%0.21923%0.225CC..Hα-helixtrans-89.5-9.5-179.9-69.2-6000113.7N16 R350 G351 K352 N356N16-D354 PolarHBondContact N-OD2 2.81Å; N16-D354 PolarHBondContact ND2-OD1 2.94Å; R350-D354 IonicContact CZ-OD1 2.68Å; R350-D354 IonicContact CZ-OD2 3.91Å; R350-D354 VanDerWaalsContact NE-CG 3.29Å; R350-D354 IonicContact NE-OD1 3.26Å; R350-D354 PolarHBondContact NE-OD1 2.95Å; R350-D354 IonicContact NE-OD2 3.5Å; R350-D354 PolarHBondContact NE-OD2 2.83Å; R350-D354 VanDerWaalsContact NE-OD2 3.15Å; R350-D354 IonicContact NH2-OD1 2.73Å; R350-D354 PolarHBondContact NH2-OD1 2.86Å; R350-D354 WeakPolarHBondContact O-CB 3.36Å; R350-D354 VanDerWaalsContact O-CG 3.31Å; R350-D354 PolarHBondContact O-N 2.76Å; G351-D354 PolarHBondContact O-N 3.13Å; K352-D354 VanDerWaalsContact C-N 3.31Å; K352-D354 PolarHBondContact O-N 2.78Å; D354-N356 VanDerWaalsContact C-N 3.29Å; D354-N356 HydrophobicContact CB-CB 4.22Å
355G98.1Very high98.4Very high61 Ų6143.7 Ų43.763%0.62923%0.23SC*.THydrogen-bonded Turntrans63.334.9-169.500000112.9G351 K352 P357G351-G355 CarbonylContact O-C 3.51Å; G351-G355 WeakPolarHBondContact O-CA 3.33Å; G351-G355 PolarHBondContact O-N 2.95Å; K352-G355 PolarHBondContact O-N 3.25Å; G355-P357 WeakPolarHBondContact O-CD 3.39Å
356N98.5Very high98.4Very high26 Ų2640.7 Ų40.714%0.13922%0.219CC..  trans-100.293.5-178-173.4-22.6000111.1K13 G351 D354 D358 L359 I360K13-N356 PolarHBondContact O-ND2 2.87Å; G351-N356 PolarHBondContact O-N 3.39Å; D354-N356 VanDerWaalsContact C-N 3.29Å; D354-N356 HydrophobicContact CB-CB 4.22Å; N356-D358 VanDerWaalsContact C-N 3.29Å; N356-D358 PolarHBondContact O-N 2.86Å; N356-D358 PolarHBondContact OD1-N 3.44Å; N356-L359 HydrophobicContact CB-CB 4.21Å; N356-L359 PolarHBondContact O-N 3.04Å; N356-L359 PolarHBondContact OD1-N 3.42Å; N356-L359 VanDerWaalsContact OD1-N 3.08Å; N356-I360 WeakPolarHBondContact O-CG1 3.14Å; N356-I360 PolarHBondContact O-N 2.93Å
357P98.3Very high98.4Very high87 Ų8741.6 Ų41.657%0.56522%0.223SC*.Hα-helixtrans-67.4-27-17827.9-36.1000113.5G355 I360 K361G355-P357 WeakPolarHBondContact O-CD 3.39Å; P357-I360 PolarHBondContact O-N 2.97Å; P357-K361 VanDerWaalsContact O-CB 3.3Å; P357-K361 WeakPolarHBondContact O-CB 3.37Å; P357-K361 PolarHBondContact O-N 2.94Å
358D98.3Very high98.4Very high101 Ų10146.7 Ų46.754%0.5424%0.242SC..Hα-helixtrans-69.5-40.8179.5-67.8-28.3000111I12 N356 K361 F362I12-D358 HydrophobicContact CD1-CB 4.49Å; I12-D358 HydrophobicContact CG1-CB 4.43Å; I12-D358 HydrophobicContact CG2-CB 4.06Å; N356-D358 VanDerWaalsContact C-N 3.29Å; N356-D358 PolarHBondContact O-N 2.86Å; N356-D358 PolarHBondContact OD1-N 3.44Å; D358-K361 PolarHBondContact O-N 3.1Å; D358-F362 WeakPolarHBondContact O-CB 3.34Å; D358-F362 PolarHBondContact O-N 3.46Å
359L98.6Very high98.4Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-66-39.5175.2-172.662.1000112.1I12 V14 V43 L347 R350 N356 F362 S363I12-L359 HydrophobicContact CG2-CB 4.24Å; V14-L359 HydrophobicContact CG1-CD2 3.96Å; V14-L359 HydrophobicContact CG2-CD1 4.05Å; V14-L359 HydrophobicContact CG2-CD2 3.83Å; V14-L359 HydrophobicContact CG2-CG 4.49Å; V43-L359 HydrophobicContact CG1-CD1 3.78Å; V43-L359 HydrophobicContact CG2-CD1 4.13Å; L347-L359 HydrophobicContact CB-CD1 4.06Å; L347-L359 HydrophobicContact CB-CD2 4.48Å; L347-L359 HydrophobicContact CB-CG 4.24Å; L347-L359 HydrophobicContact CD1-CD1 4.45Å; L347-L359 HydrophobicContact CD2-CD1 4.26Å; L347-L359 HydrophobicContact CG-CD1 4.49Å; L347-L359 VanDerWaalsContact O-CD2 3.25Å; L347-L359 WeakPolarHBondContact O-CD2 3.24Å; L347-L359 WeakPolarHBondContact O-CG 3.33Å; R350-L359 HydrophobicContact CB-CD2 4.18Å; R350-L359 HydrophobicContact CG-CD2 4.15Å; N356-L359 HydrophobicContact CB-CB 4.21Å; N356-L359 PolarHBondContact O-N 3.04Å; N356-L359 PolarHBondContact OD1-N 3.42Å; N356-L359 VanDerWaalsContact OD1-N 3.08Å; L359-F362 PolarHBondContact O-N 3.48Å; L359-S363 WeakPolarHBondContact O-CB 3.45Å; L359-S363 PolarHBondContact O-N 3.39Å; L359-S363 PolarHBondContact O-OG 3.28Å
360I98.6Very high98.4Very high35 Ų3544.3 Ų44.318%0.17923%0.231CC..Hα-helixtrans-61-49.9173.7-66.8169.4000109.8E348 K352 N356 P357 F362 S363 Q364E348-I360 HydrophobicContact CG-CB 4.48Å; E348-I360 HydrophobicContact CG-CG1 4.37Å; E348-I360 HydrophobicContact CG-CG2 4.09Å; K352-I360 HydrophobicContact CG-CD1 3.98Å; K352-I360 HydrophobicContact CG-CG1 4.46Å; N356-I360 WeakPolarHBondContact O-CG1 3.14Å; N356-I360 PolarHBondContact O-N 2.93Å; P357-I360 PolarHBondContact O-N 2.97Å; I360-F362 PolarHBondContact O-N 2.89Å; I360-S363 PolarHBondContact O-N 3Å; I360-Q364 WeakPolarHBondContact O-CG 3.09Å; I360-Q364 PolarHBondContact O-N 2.93Å
361K98.5Very high98.4Very high139 Ų13945 Ų4560%0.60424%0.237SC*.Hα-helixtrans-63.2-39.8-179.6-176.2179.1177.3-175.40112.2P357 D358 T365P357-K361 VanDerWaalsContact O-CB 3.3Å; P357-K361 WeakPolarHBondContact O-CB 3.37Å; P357-K361 PolarHBondContact O-N 2.94Å; D358-K361 PolarHBondContact O-N 3.1Å; K361-T365 VanDerWaalsContact O-CB 3.28Å; K361-T365 WeakPolarHBondContact O-CB 3.43Å; K361-T365 PolarHBondContact O-N 3.4Å; K361-T365 PolarHBondContact O-OG1 2.85Å
362F98.7Very high98.4Very high4 Ų449.2 Ų49.22%0.01826%0.256CS..Hα-helixtrans-60.7-48.2174.3168.7-98.2000111.5I12 L38 I39 N42 V43 L347 D358 L359 I360 Q364 T365 L366 L413 L417I12-F362 HydrophobicContact CD1-CB 3.45Å; I12-F362 VanDerWaalsContact CD1-CB 3.45Å; I12-F362 HydrophobicContact CD1-CD2 4.29Å; I12-F362 HydrophobicContact CD1-CG 3.93Å; L38-F362 WeakPolarHBondContact O-CZ 3.48Å; I39-F362 HydrophobicContact CD1-CE1 4.15Å; I39-F362 HydrophobicContact CD1-CZ 4.34Å; N42-F362 HydrophobicContact CB-CD2 4.11Å; N42-F362 HydrophobicContact CB-CE2 3.38Å; N42-F362 HydrophobicContact CB-CZ 3.8Å; V43-F362 HydrophobicContact CG2-CD1 3.62Å; V43-F362 HydrophobicContact CG2-CE1 3.5Å; V43-F362 HydrophobicContact CG2-CE2 4.45Å; V43-F362 HydrophobicContact CG2-CG 4.16Å; V43-F362 HydrophobicContact CG2-CZ 3.96Å; L347-F362 HydrophobicContact CD1-CE1 4.17Å; D358-F362 WeakPolarHBondContact O-CB 3.34Å; D358-F362 PolarHBondContact O-N 3.46Å; L359-F362 PolarHBondContact O-N 3.48Å; I360-F362 PolarHBondContact O-N 2.89Å; F362-Q364 PolarHBondContact O-N 3.02Å; F362-T365 WeakPolarHBondContact O-CB 3.13Å; F362-T365 PolarHBondContact O-N 2.85Å; F362-T365 VanDerWaalsContact O-N 3.1Å; F362-L366 HydrophobicContact CZ-CD2 4.28Å; F362-L366 PolarHBondContact O-N 3.21Å; F362-L413 HydrophobicContact CE2-CD1 4.44Å; F362-L413 HydrophobicContact CE2-CD2 4.4Å; F362-L417 HydrophobicContact CD2-CD1 4.19Å; F362-L417 HydrophobicContact CD2-CD2 4.49Å; F362-L417 HydrophobicContact CE2-CD1 4.05Å
363S98.6Very high98.5Very high0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-58.5-48.3179.3-560000111.1T344 L347 E348 L359 I360 T365 L366 E367T344-S363 WeakPolarHBondContact O-CB 3.22Å; T344-S363 PolarHBondContact O-OG 2.95Å; L347-S363 WeakPolarHBondContact CB-OG 3.4Å; E348-S363 PolarHBondContact N-OG 3.36Å; L359-S363 WeakPolarHBondContact O-CB 3.45Å; L359-S363 PolarHBondContact O-N 3.39Å; L359-S363 PolarHBondContact O-OG 3.28Å; I360-S363 PolarHBondContact O-N 3Å; S363-T365 VanDerWaalsContact C-N 3.31Å; S363-T365 PolarHBondContact O-N 2.68Å; S363-L366 PolarHBondContact O-N 3.34Å; S363-E367 WeakPolarHBondContact O-CG 3.22Å; S363-E367 PolarHBondContact O-N 2.91Å; S363-E367 VanDerWaalsContact O-N 3.07Å
364Q98.4Very high98.5Very high97 Ų9740.7 Ų40.745%0.45322%0.217SC..Hα-helixtrans-63.6-34.8176-68.7170.6-6.300112.9I360 F362 R368I360-Q364 WeakPolarHBondContact O-CG 3.09Å; I360-Q364 PolarHBondContact O-N 2.93Å; F362-Q364 PolarHBondContact O-N 3.02Å; Q364-R368 WeakPolarHBondContact O-CB 3.49Å; Q364-R368 PolarHBondContact O-N 2.96Å
365T98.7Very high98.5Very high18 Ų1841.7 Ų41.711%0.1122%0.22CC..Hα-helixtrans-67.1-44.8177.2-63.60000111.1K361 F362 S363 R368 V369 L413 A416 L417K361-T365 VanDerWaalsContact O-CB 3.28Å; K361-T365 WeakPolarHBondContact O-CB 3.43Å; K361-T365 PolarHBondContact O-N 3.4Å; K361-T365 PolarHBondContact O-OG1 2.85Å; F362-T365 WeakPolarHBondContact O-CB 3.13Å; F362-T365 PolarHBondContact O-N 2.85Å; F362-T365 VanDerWaalsContact O-N 3.1Å; S363-T365 VanDerWaalsContact C-N 3.31Å; S363-T365 PolarHBondContact O-N 2.68Å; T365-R368 PolarHBondContact O-N 3.28Å; T365-V369 VanDerWaalsContact O-CG2 3.3Å; T365-V369 WeakPolarHBondContact O-CG2 3.43Å; T365-V369 PolarHBondContact O-N 3.31Å; T365-L413 HydrophobicContact CG2-CD1 4.4Å; T365-A416 HydrophobicContact CG2-CB 4.04Å; T365-L417 HydrophobicContact CG2-CD2 4.22Å
366L98.8Very high98.5Very high0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-64.7-42.7178.2178.650.9000111.6L38 I39 I340 T344 F362 S363 R368 V369 C370 I409 L413L38-L366 HydrophobicContact CB-CD2 4.46Å; I39-L366 HydrophobicContact CD1-CD2 3.93Å; I340-L366 HydrophobicContact CG2-CD1 4.08Å; I340-L366 HydrophobicContact CG2-CD2 3.82Å; I340-L366 HydrophobicContact CG2-CG 3.69Å; T344-L366 HydrophobicContact CG2-CB 3.87Å; T344-L366 HydrophobicContact CG2-CD2 3.73Å; T344-L366 HydrophobicContact CG2-CG 3.81Å; F362-L366 HydrophobicContact CZ-CD2 4.28Å; F362-L366 PolarHBondContact O-N 3.21Å; S363-L366 PolarHBondContact O-N 3.34Å; L366-R368 PolarHBondContact O-N 3.27Å; L366-V369 PolarHBondContact O-N 3.08Å; L366-C370 PolarHBondContact O-N 3.48Å; L366-C370 PolarHBondContact O-SG 2.63Å; L366-I409 HydrophobicContact CD1-CG2 4.17Å; L366-L413 HydrophobicContact CB-CD1 4.25Å; L366-L413 HydrophobicContact CD1-CD1 4.15Å; L366-L413 HydrophobicContact CD1-CD2 4.03Å
367E98.6Very high98.5Very high19 Ų1943.2 Ų43.29%0.08923%0.23CC..Hα-helixtrans-59.2-45.9174.1-70.4-172.817900112.4F341 T344 R345 S363 V369 C370 V371F341-E367 HydrophobicContact CD1-CG 3.9Å; F341-E367 HydrophobicContact CD2-CG 4.17Å; F341-E367 HydrophobicContact CE1-CB 3.87Å; F341-E367 HydrophobicContact CE1-CG 3.6Å; F341-E367 HydrophobicContact CE2-CB 3.99Å; F341-E367 HydrophobicContact CE2-CG 3.89Å; F341-E367 HydrophobicContact CG-CG 4.2Å; F341-E367 HydrophobicContact CZ-CB 3.51Å; F341-E367 HydrophobicContact CZ-CG 3.61Å; T344-E367 WeakPolarHBondContact CB-OE1 3.21Å; T344-E367 HydrophobicContact CG2-CG 3.97Å; T344-E367 VanDerWaalsContact OG1-CG 3.22Å; T344-E367 WeakPolarHBondContact OG1-CG 3.47Å; T344-E367 PolarHBondContact OG1-OE1 3.44Å; R345-E367 IonicContact CZ-OE1 3.83Å; R345-E367 IonicContact CZ-OE2 3.76Å; R345-E367 IonicContact NE-OE1 2.85Å; R345-E367 PolarHBondContact NE-OE1 3.42Å; R345-E367 IonicContact NE-OE2 3.15Å; R345-E367 VanDerWaalsContact NH2-CD 3.34Å; R345-E367 IonicContact NH2-OE1 3.54Å; R345-E367 PolarHBondContact NH2-OE1 3.21Å; R345-E367 IonicContact NH2-OE2 3.84Å; R345-E367 PolarHBondContact NH2-OE2 2.57Å; S363-E367 WeakPolarHBondContact O-CG 3.22Å; S363-E367 PolarHBondContact O-N 2.91Å; S363-E367 VanDerWaalsContact O-N 3.07Å; E367-V369 VanDerWaalsContact C-N 3.34Å; E367-V369 PolarHBondContact O-N 3.48Å; E367-C370 WeakPolarHBondContact O-CB 3.3Å; E367-C370 PolarHBondContact O-N 3.36Å; E367-V371 PolarHBondContact O-N 3.4Å
368R98.4Very high98.5Very high106 Ų10642 Ų4240%0.422%0.218SC..Hα-helixtrans-60.4-43176.1-178.517960.475.27.9111.6Q364 T365 L366 C370 V371 E372Q364-R368 WeakPolarHBondContact O-CB 3.49Å; Q364-R368 PolarHBondContact O-N 2.96Å; T365-R368 PolarHBondContact O-N 3.28Å; L366-R368 PolarHBondContact O-N 3.27Å; R368-C370 VanDerWaalsContact C-N 3.3Å; R368-C370 PolarHBondContact O-N 2.89Å; R368-V371 PolarHBondContact O-N 3.34Å; R368-E372 VanDerWaalsContact CD-OE1 3.28Å; R368-E372 WeakPolarHBondContact CD-OE1 3.39Å; R368-E372 HydrophobicContact CG-CG 4.12Å; R368-E372 WeakPolarHBondContact CG-OE1 3.29Å; R368-E372 IonicContact CZ-OE1 2.88Å; R368-E372 IonicContact CZ-OE2 3.51Å; R368-E372 IonicContact NE-OE1 3.35Å; R368-E372 IonicContact NH1-OE1 2.72Å; R368-E372 PolarHBondContact NH1-OE1 2.84Å; R368-E372 IonicContact NH1-OE2 3.66Å; R368-E372 PolarHBondContact NH1-OE2 3.16Å; R368-E372 WeakPolarHBondContact O-CB 3.47Å; R368-E372 WeakPolarHBondContact O-CG 3.44Å; R368-E372 PolarHBondContact O-N 3.3Å
369V98.8Very high98.5Very high3 Ų337.5 Ų37.52%0.01819%0.194CC..Hα-helixtrans-60.1-39.1177164.10000111.6T365 L366 E367 T373 I409 N412 L413 A416T365-V369 VanDerWaalsContact O-CG2 3.3Å; T365-V369 WeakPolarHBondContact O-CG2 3.43Å; T365-V369 PolarHBondContact O-N 3.31Å; L366-V369 PolarHBondContact O-N 3.08Å; E367-V369 VanDerWaalsContact C-N 3.34Å; E367-V369 PolarHBondContact O-N 3.48Å; V369-T373 VanDerWaalsContact O-CB 3.25Å; V369-T373 WeakPolarHBondContact O-CB 3.45Å; V369-T373 PolarHBondContact O-N 3.16Å; V369-T373 PolarHBondContact O-OG1 3.47Å; V369-I409 HydrophobicContact CG1-CG2 4.39Å; V369-N412 HydrophobicContact CG1-CB 3.69Å; V369-L413 HydrophobicContact CG1-CB 4.36Å; V369-A416 HydrophobicContact CG2-CB 3.88Å
370C98.6Very high98.5Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-60.7-49.3174.5-68.30000112.3I337 F341 L366 E367 R368 T373 V374 I409I337-C370 HydrophobicContact CG1-CB 4.34Å; I337-C370 HydrophobicContact CG2-CB 4.19Å; F341-C370 HydrophobicContact CE2-CB 3.91Å; L366-C370 PolarHBondContact O-N 3.48Å; L366-C370 PolarHBondContact O-SG 2.63Å; E367-C370 WeakPolarHBondContact O-CB 3.3Å; E367-C370 PolarHBondContact O-N 3.36Å; R368-C370 VanDerWaalsContact C-N 3.3Å; R368-C370 PolarHBondContact O-N 2.89Å; C370-T373 PolarHBondContact O-N 3.39Å; C370-V374 PolarHBondContact O-N 3.36Å; C370-I409 HydrophobicContact CB-CD1 4.3Å
371V98.2Very high98.5Very high29 Ų2939.9 Ų39.918%0.17620%0.203CC..Hα-helixtrans-63-50.8179.4175.40000110.8I120 E367 R368 T373 V374 E375I120-V371 HydrophobicContact CG2-CG2 4.03Å; E367-V371 PolarHBondContact O-N 3.4Å; R368-V371 PolarHBondContact O-N 3.34Å; V371-T373 VanDerWaalsContact C-N 3.26Å; V371-T373 PolarHBondContact O-N 3.36Å; V371-V374 PolarHBondContact O-N 3.06Å; V371-V374 VanDerWaalsContact O-N 3.14Å; V371-E375 HydrophobicContact CG1-CG 4.27Å; V371-E375 WeakPolarHBondContact O-CG 3.32Å; V371-E375 PolarHBondContact O-N 3.5Å
372E98.5Very high98.3Very high87 Ų8735.1 Ų35.141%0.40718%0.184SC..Hα-helixtrans-62-32.5179.9-73.7176.9-176.300112.5R368 E375 S376R368-E372 VanDerWaalsContact CD-OE1 3.28Å; R368-E372 WeakPolarHBondContact CD-OE1 3.39Å; R368-E372 HydrophobicContact CG-CG 4.12Å; R368-E372 WeakPolarHBondContact CG-OE1 3.29Å; R368-E372 IonicContact CZ-OE1 2.88Å; R368-E372 IonicContact CZ-OE2 3.51Å; R368-E372 IonicContact NE-OE1 3.35Å; R368-E372 IonicContact NH1-OE1 2.72Å; R368-E372 PolarHBondContact NH1-OE1 2.84Å; R368-E372 IonicContact NH1-OE2 3.66Å; R368-E372 PolarHBondContact NH1-OE2 3.16Å; R368-E372 WeakPolarHBondContact O-CB 3.47Å; R368-E372 WeakPolarHBondContact O-CG 3.44Å; R368-E372 PolarHBondContact O-N 3.3Å; E372-E375 PolarHBondContact O-N 2.86Å; E372-S376 WeakPolarHBondContact O-CB 3.15Å; E372-S376 PolarHBondContact O-N 3.14Å
373T98.8Very high98.2Very high1 Ų134.9 Ų34.91%0.00618%0.183CC..Hα-helixtrans-65.8-45.5176-61.20000110.8V369 C370 V371 S376 I378 F405 A408 I409 N412V369-T373 VanDerWaalsContact O-CB 3.25Å; V369-T373 WeakPolarHBondContact O-CB 3.45Å; V369-T373 PolarHBondContact O-N 3.16Å; V369-T373 PolarHBondContact O-OG1 3.47Å; C370-T373 PolarHBondContact O-N 3.39Å; V371-T373 VanDerWaalsContact C-N 3.26Å; V371-T373 PolarHBondContact O-N 3.36Å; T373-S376 PolarHBondContact O-N 3.02Å; T373-S376 PolarHBondContact O-OG 3.23Å; T373-I378 CarbonylContact C-O 3.58Å; T373-I378 HydrophobicContact CG2-CB 3.98Å; T373-I378 HydrophobicContact CG2-CG2 4.23Å; T373-I378 PolarHBondContact O-N 3.12Å; T373-F405 HydrophobicContact CG2-CE2 4Å; T373-A408 HydrophobicContact CG2-CB 4.37Å; T373-I409 HydrophobicContact CG2-CD1 3.85Å; T373-N412 PolarHBondContact OG1-ND2 2.96Å
374V98.4Very high98.2Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-62.3-45.3174175.80000110.9C122 N124 I125 I337 C370 V371 S376 G377 I378 M379 L383 F405C122-V374 HydrophobicContact CB-CB 4.41Å; C122-V374 HydrophobicContact CB-CG1 3.91Å; N124-V374 PolarHBondContact ND2-O 3.36Å; I125-V374 HydrophobicContact CD1-CG1 3.89Å; I125-V374 HydrophobicContact CG1-CG1 3.91Å; I337-V374 HydrophobicContact CD1-CG2 3.63Å; C370-V374 PolarHBondContact O-N 3.36Å; V371-V374 PolarHBondContact O-N 3.06Å; V371-V374 VanDerWaalsContact O-N 3.14Å; V374-S376 PolarHBondContact O-N 3.34Å; V374-G377 PolarHBondContact O-N 3.17Å; V374-I378 WeakPolarHBondContact CA-O 3.28Å; V374-M379 HydrophobicContact CG1-CB 4.35Å; V374-M379 HydrophobicContact CG1-CE 4.37Å; V374-L383 HydrophobicContact CG1-CD1 3.89Å; V374-L383 HydrophobicContact CG2-CD1 3.73Å; V374-F405 HydrophobicContact CG2-CE2 4.45Å; V374-F405 HydrophobicContact CG2-CZ 4.09Å
375E98.1Very high98Very high63 Ų6330.8 Ų30.829%0.29417%0.167SC..Hα-helixtrans-64.8-26.5179.6-70.6178.816600113.1C122 Q123 N124 V371 E372 G377C122-E375 HydrophobicContact CB-CG 4.45Å; Q123-E375 VanDerWaalsContact CB-OE1 3.31Å; Q123-E375 WeakPolarHBondContact CB-OE1 3.48Å; Q123-E375 WeakPolarHBondContact CG-OE1 3.47Å; Q123-E375 PolarHBondContact N-OE1 3.43Å; N124-E375 WeakPolarHBondContact ND2-CA 3.48Å; V371-E375 HydrophobicContact CG1-CG 4.27Å; V371-E375 WeakPolarHBondContact O-CG 3.32Å; V371-E375 PolarHBondContact O-N 3.5Å; E372-E375 PolarHBondContact O-N 2.86Å; E375-G377 PolarHBondContact O-N 2.88Å
376S98.2Very high97.8Very high77 Ų7732 Ų3254%0.53818%0.175SC..THydrogen-bonded Turntrans-73.9-6.7172.678.30000114.4E372 T373 V374E372-S376 WeakPolarHBondContact O-CB 3.15Å; E372-S376 PolarHBondContact O-N 3.14Å; T373-S376 PolarHBondContact O-N 3.02Å; T373-S376 PolarHBondContact O-OG 3.23Å; V374-S376 PolarHBondContact O-N 3.34Å
377G97.8Very high97.7Very high42 Ų4234.8 Ų34.843%0.43319%0.19SC..THydrogen-bonded Turntrans98.2-4.8179.400000114.9V374 E375V374-G377 PolarHBondContact O-N 3.17Å; E375-G377 PolarHBondContact O-N 2.88Å
378I98.6Very high97.6Very high62 Ų6237.9 Ų37.932%0.31820%0.204SC..  trans-86.9115.3174-54.6175.7000107.8T373 V374 V400 F405 A408T373-I378 CarbonylContact C-O 3.58Å; T373-I378 HydrophobicContact CG2-CB 3.98Å; T373-I378 HydrophobicContact CG2-CG2 4.23Å; T373-I378 PolarHBondContact O-N 3.12Å; V374-I378 WeakPolarHBondContact CA-O 3.28Å; I378-V400 HydrophobicContact CG2-CG1 4.49Å; I378-V400 HydrophobicContact CG2-CG2 3.91Å; I378-F405 HydrophobicContact CG2-CD2 4.06Å; I378-F405 HydrophobicContact CG2-CE2 4.43Å; I378-F405 VanDerWaalsContact O-CE2 3.31Å; I378-F405 WeakPolarHBondContact O-CE2 2.98Å; I378-A408 HydrophobicContact CD1-CB 4.29Å; I378-A408 HydrophobicContact CG2-CB 3.95Å
379M98.6Very high97.5Very high6 Ų634.2 Ų34.23%0.0320%0.199CC..  trans-153.7166.7-177.166.9-171.374.900113.2I125 V374 L383 A384 I387 Y399 V400I125-M379 HydrophobicContact CD1-SD 4.11Å; V374-M379 HydrophobicContact CG1-CB 4.35Å; V374-M379 HydrophobicContact CG1-CE 4.37Å; M379-L383 HydrophobicContact CB-CB 3.97Å; M379-L383 HydrophobicContact CB-CD1 4.17Å; M379-L383 HydrophobicContact CG-CB 4.09Å; M379-L383 HydrophobicContact SD-CB 3.81Å; M379-A384 HydrophobicContact CG-CB 4.19Å; M379-A384 HydrophobicContact SD-CB 4.22Å; M379-I387 HydrophobicContact CE-CD1 3.63Å; M379-I387 HydrophobicContact SD-CD1 3.57Å; M379-I387 VanDerWaalsContact SD-CD1 3.57Å; M379-Y399 CarbonylContact O-C 3.59Å; M379-Y399 WeakPolarHBondContact O-CA 3.29Å; M379-Y399 WeakPolarHBondContact O-CB 3.49Å; M379-V400 WeakPolarHBondContact O-CG2 3.32Å; M379-V400 PolarHBondContact O-N 2.88Å
380T98.5Very high97.3Very high0 Ų039.6 Ų39.60%023%0.227CC..  trans-84166.7174.148.70000112.4S333 N335 D382 L383 A384 F405S333-T380 WeakPolarHBondContact OG-CA 3.4Å; S333-T380 WeakPolarHBondContact OG-CB 3.24Å; N335-T380 WeakPolarHBondContact CB-OG1 3.47Å; T380-D382 VanDerWaalsContact C-N 3.29Å; T380-D382 VanDerWaalsContact CB-OD1 3.23Å; T380-D382 WeakPolarHBondContact CB-OD1 3.3Å; T380-D382 PolarHBondContact O-N 2.86Å; T380-D382 PolarHBondContact OG1-OD1 3.37Å; T380-L383 PolarHBondContact O-N 2.99Å; T380-L383 VanDerWaalsContact O-N 3.11Å; T380-A384 PolarHBondContact O-N 2.77Å; T380-A384 VanDerWaalsContact O-N 3.09Å; T380-F405 HydrophobicContact CG2-CB 3.94Å; T380-F405 HydrophobicContact CG2-CD1 3.82Å; T380-F405 HydrophobicContact CG2-CD2 4.29Å; T380-F405 HydrophobicContact CG2-CE1 4.46Å; T380-F405 HydrophobicContact CG2-CG 3.73Å
381K98.1Very high97.2Very high84 Ų8444.7 Ų44.737%0.36526%0.263SS..Hα-helixtrans-59.1-36.2-170.2-173.3175.7-177.4172.40113.8S333 G385 V393 Y399S333-K381 PolarHBondContact OG-N 3.27Å; K381-G385 PolarHBondContact O-N 3.2Å; K381-V393 HydrophobicContact CG-CG2 4.1Å; K381-Y399 HydrophobicContact CB-CD1 4.23Å; K381-Y399 HydrophobicContact CB-CD2 3.59Å; K381-Y399 HydrophobicContact CB-CE1 4.33Å; K381-Y399 HydrophobicContact CB-CE2 3.72Å; K381-Y399 HydrophobicContact CB-CG 3.85Å; K381-Y399 HydrophobicContact CD-CE1 4.15Å; K381-Y399 HydrophobicContact CD-CE2 3.98Å; K381-Y399 HydrophobicContact CG-CD1 4.09Å; K381-Y399 HydrophobicContact CG-CD2 4.18Å; K381-Y399 HydrophobicContact CG-CE1 3.86Å; K381-Y399 HydrophobicContact CG-CE2 3.97Å; K381-Y399 HydrophobicContact CG-CG 4.24Å
382D95.4Very high97.1Very high39 Ų3948.1 Ų48.121%0.20928%0.28CS..Hα-helixtrans-58.9-47.5176.158.7-48.7000111.3S294 N335 T380 G385 C386S294-D382 VanDerWaalsContact CB-OD2 3.27Å; S294-D382 WeakPolarHBondContact CB-OD2 3.23Å; S294-D382 PolarHBondContact OG-OD2 3.21Å; N335-D382 WeakPolarHBondContact CB-OD2 3.37Å; N335-D382 PolarHBondContact ND2-OD2 3.45Å; T380-D382 VanDerWaalsContact C-N 3.29Å; T380-D382 VanDerWaalsContact CB-OD1 3.23Å; T380-D382 WeakPolarHBondContact CB-OD1 3.3Å; T380-D382 PolarHBondContact O-N 2.86Å; T380-D382 PolarHBondContact OG1-OD1 3.37Å; D382-G385 PolarHBondContact O-N 3.35Å; D382-C386 PolarHBondContact O-N 2.89Å; D382-C386 PolarHBondContact O-SG 3.2Å; D382-C386 VanDerWaalsContact O-SG 3.38Å
383L96.4Very high97.1Very high0 Ų044.7 Ų44.70%027%0.265CS..Hα-helixtrans-70.6-42.8-178.6-58.3-169.9000112.2I125 L297 I337 V374 M379 T380 G385 C386 I387I125-L383 HydrophobicContact CD1-CB 3.87Å; L297-L383 HydrophobicContact CD1-CD2 3.5Å; L297-L383 HydrophobicContact CD2-CD1 4.39Å; L297-L383 HydrophobicContact CD2-CD2 4.41Å; L297-L383 HydrophobicContact CG-CD2 3.82Å; I337-L383 HydrophobicContact CD1-CD1 4.33Å; V374-L383 HydrophobicContact CG1-CD1 3.89Å; V374-L383 HydrophobicContact CG2-CD1 3.73Å; M379-L383 HydrophobicContact CB-CB 3.97Å; M379-L383 HydrophobicContact CB-CD1 4.17Å; M379-L383 HydrophobicContact CG-CB 4.09Å; M379-L383 HydrophobicContact SD-CB 3.81Å; T380-L383 PolarHBondContact O-N 2.99Å; T380-L383 VanDerWaalsContact O-N 3.11Å; L383-G385 PolarHBondContact O-N 2.9Å; L383-C386 VanDerWaalsContact O-CB 3.32Å; L383-C386 WeakPolarHBondContact O-CB 3.25Å; L383-C386 PolarHBondContact O-N 3Å; L383-I387 PolarHBondContact O-N 2.94Å
384A97.6Very high97.1Very high0 Ų050.4 Ų50.40%029%0.29CS..Hα-helixtrans-60.1-34.4173.100000111.4M379 T380 C386 I387 H388 V393 H398 Y399M379-A384 HydrophobicContact CG-CB 4.19Å; M379-A384 HydrophobicContact SD-CB 4.22Å; T380-A384 PolarHBondContact O-N 2.77Å; T380-A384 VanDerWaalsContact O-N 3.09Å; A384-C386 VanDerWaalsContact C-N 3.31Å; A384-C386 PolarHBondContact O-N 2.94Å; A384-I387 PolarHBondContact O-N 3.01Å; A384-H388 PolarHBondContact O-CD2 3.38Å; A384-H388 PolarHBondContact O-N 2.94Å; A384-V393 HydrophobicContact CB-CB 4.42Å; A384-V393 HydrophobicContact CB-CG1 3.82Å; A384-V393 WeakPolarHBondContact O-CG1 3.44Å; A384-H398 HydrophobicContact CB-CB 4.2Å; A384-H398 WeakPolarHBondContact CB-O 3.42Å; A384-Y399 HydrophobicContact CB-CD1 4.43Å
385G95.9Very high97.1Very high11 Ų1153.3 Ų53.311%0.11331%0.305CS..Hα-helixtrans-60.9-36.6174.100000113.3K381 D382 L383 I387 G389K381-G385 PolarHBondContact O-N 3.2Å; D382-G385 PolarHBondContact O-N 3.35Å; L383-G385 PolarHBondContact O-N 2.9Å; G385-I387 VanDerWaalsContact C-N 3.29Å; G385-I387 PolarHBondContact O-N 2.85Å; G385-G389 WeakPolarHBondContact O-CA 3.37Å; G385-G389 PolarHBondContact O-N 3Å
386C94.3Very high97Very high42 Ų4255.9 Ų55.928%0.28432%0.321SS..Hα-helixtrans-64.5-32.5174.6-57.30000112.6I125 G293 D382 L383 A384I125-C386 HydrophobicContact CG2-CB 4Å; G293-C386 PolarHBondContact O-SG 2.68Å; D382-C386 PolarHBondContact O-N 2.89Å; D382-C386 PolarHBondContact O-SG 3.2Å; D382-C386 VanDerWaalsContact O-SG 3.38Å; L383-C386 VanDerWaalsContact O-CB 3.32Å; L383-C386 WeakPolarHBondContact O-CB 3.25Å; L383-C386 PolarHBondContact O-N 3Å; A384-C386 VanDerWaalsContact C-N 3.31Å; A384-C386 PolarHBondContact O-N 2.94Å
387I95.9Very high97Very high59 Ų5958.1 Ų58.130%0.30332%0.323SS..Hα-helixtrans-85.7-47-177.6-55.1175.1000111.4I125 M379 L383 A384 G385I125-I387 HydrophobicContact CD1-CD1 3.96Å; I125-I387 HydrophobicContact CD1-CG1 4.14Å; M379-I387 HydrophobicContact CE-CD1 3.63Å; M379-I387 HydrophobicContact SD-CD1 3.57Å; M379-I387 VanDerWaalsContact SD-CD1 3.57Å; L383-I387 PolarHBondContact O-N 2.94Å; A384-I387 PolarHBondContact O-N 3.01Å; G385-I387 VanDerWaalsContact C-N 3.29Å; G385-I387 PolarHBondContact O-N 2.85Å
388H96.6Very high97Very high84 Ų8458.2 Ų58.239%0.38931%0.312SS..Hα-helixtrans-111.6-8.6-166.2-57.5-72.8000114A384 N392 V393 H398A384-H388 PolarHBondContact O-CD2 3.38Å; A384-H388 PolarHBondContact O-N 2.94Å; H388-N392 WeakPolarHBondContact O-CB 3.4Å; H388-N392 PolarHBondContact O-ND2 3.46Å; H388-V393 HydrophobicContact CB-CG1 3.85Å; H388-H398 AromaticContact CD2-CD2 3.67Å; H388-H398 AromaticContact CG-CD2 3.84Å; H388-H398 AromaticContact NE2-CD2 3.82Å
389G96.1Very high97Very high29 Ų2956.6 Ų56.630%0.29930%0.302SS..  trans81132.7-168.800000112.1G385 S391 N392G385-G389 WeakPolarHBondContact O-CA 3.37Å; G385-G389 PolarHBondContact O-N 3Å; G389-S391 PolarHBondContact O-N 2.75Å; G389-N392 PolarHBondContact O-N 2.9Å
390L94.3Very high97Very high116 Ų11657.7 Ų57.761%0.60731%0.309SS*.THydrogen-bonded Turntrans-58.4-24.9-173.2-75.9170.4000114.8N392 V393L390-N392 VanDerWaalsContact C-N 3.31Å; L390-V393 WeakPolarHBondContact O-CG2 3.41Å
391S96.6Very high97Very high108 Ų10859.3 Ų59.376%0.75532%0.318SS*.THydrogen-bonded Turntrans-74.9-18.7176.556.60000113.8G389G389-S391 PolarHBondContact O-N 2.75Å
392N97.7Very high97Very high100 Ų10055.6 Ų55.654%0.53530%0.302SS..THydrogen-bonded Turntrans-106.2-9.6-170.1-55.6-31.4000113H388 G389 L390H388-N392 WeakPolarHBondContact O-CB 3.4Å; H388-N392 PolarHBondContact O-ND2 3.46Å; G389-N392 PolarHBondContact O-N 2.9Å; L390-N392 VanDerWaalsContact C-N 3.31Å
393V98Very high97.1Very high15 Ų1557.6 Ų57.69%0.09132%0.316CS..  trans-84.4141.3-175-63.90000112.8K381 A384 H388 L390 H398 Y399K381-V393 HydrophobicContact CG-CG2 4.1Å; A384-V393 HydrophobicContact CB-CB 4.42Å; A384-V393 HydrophobicContact CB-CG1 3.82Å; A384-V393 WeakPolarHBondContact O-CG1 3.44Å; H388-V393 HydrophobicContact CB-CG1 3.85Å; L390-V393 WeakPolarHBondContact O-CG2 3.41Å; V393-H398 HydrophobicContact CB-CB 4.14Å; V393-H398 HydrophobicContact CG1-CB 4.18Å; V393-Y399 HydrophobicContact CB-CD1 3.9Å; V393-Y399 HydrophobicContact CB-CE1 3.96Å; V393-Y399 HydrophobicContact CG2-CD1 4.14Å; V393-Y399 HydrophobicContact CG2-CE1 3.88Å
394K98.1Very high97.2Very high122 Ų12260.8 Ų60.853%0.5333%0.333SS..  trans-128.5141.2179-68.9166.1178.9173.60111.3E397 H398 Y399K394-E397 HydrophobicContact CB-CB 4.09Å; K394-E397 WeakPolarHBondContact CD-OE2 3.42Å; K394-E397 IonicContact NZ-OE2 3.72Å; K394-E397 PolarHBondContact O-N 3.38Å; K394-H398 PolarHBondContact N-ND1 3.2Å; K394-H398 PolarHBondContact O-N 3.23Å; K394-Y399 WeakPolarHBondContact O-CD1 3.44Å; K394-Y399 WeakPolarHBondContact O-CE1 3.32Å
395L97.9Very high97.3Very high61 Ų6160.8 Ų60.832%0.31933%0.333SS..BIsolated β-bridgetrans-63136177.3178.864.5000109.2P331 E397 Y399 N401P331-L395 HydrophobicContact CB-CD2 4.49Å; L395-E397 PolarHBondContact O-N 3.01Å; L395-Y399 CarbonylContact C-O 3.52Å; L395-Y399 HydrophobicContact CB-CE1 4.44Å; L395-Y399 HydrophobicContact CB-CE2 3.88Å; L395-Y399 HydrophobicContact CD1-CD2 3.89Å; L395-Y399 HydrophobicContact CD1-CE2 3.62Å; L395-Y399 HydrophobicContact CG-CE2 4.34Å; L395-Y399 VanDerWaalsContact N-CE1 3.28Å; L395-N401 HydrophobicContact CD1-CB 4.14Å
396N97.1Very high97.4Very high117 Ų11760.5 Ų60.563%0.62633%0.329SS*.THydrogen-bonded Turntrans66.16.6-177-54.2-24.1000115.8Y399N396-Y399 PolarHBondContact N-O 3.45Å
397E97.6Very high97.6Very high124 Ų12462 Ų6258%0.57933%0.334SS*.THydrogen-bonded Turntrans-113.2-50.2170.6-174-179.3156.300110.4K394 L395K394-E397 HydrophobicContact CB-CB 4.09Å; K394-E397 WeakPolarHBondContact CD-OE2 3.42Å; K394-E397 IonicContact NZ-OE2 3.72Å; K394-E397 PolarHBondContact O-N 3.38Å; L395-E397 PolarHBondContact O-N 3.01Å
398H98.4Very high97.8Very high43 Ų4359.9 Ų59.920%0.19933%0.325CS..THydrogen-bonded Turntrans-112.7-25.5-176.8-57.690.6000113.1A384 H388 V393 K394A384-H398 HydrophobicContact CB-CB 4.2Å; A384-H398 WeakPolarHBondContact CB-O 3.42Å; H388-H398 AromaticContact CD2-CD2 3.67Å; H388-H398 AromaticContact CG-CD2 3.84Å; H388-H398 AromaticContact NE2-CD2 3.82Å; V393-H398 HydrophobicContact CB-CB 4.14Å; V393-H398 HydrophobicContact CG1-CB 4.18Å; K394-H398 PolarHBondContact N-ND1 3.2Å; K394-H398 PolarHBondContact O-N 3.23Å
399Y98.6Very high97.9Very high29 Ų2955.9 Ų55.911%0.11431%0.307CS..BIsolated β-bridgetrans-147.7162.8-179.568-86.7000111M379 K381 A384 V393 K394 L395 N396M379-Y399 CarbonylContact O-C 3.59Å; M379-Y399 WeakPolarHBondContact O-CA 3.29Å; M379-Y399 WeakPolarHBondContact O-CB 3.49Å; K381-Y399 HydrophobicContact CB-CD1 4.23Å; K381-Y399 HydrophobicContact CB-CD2 3.59Å; K381-Y399 HydrophobicContact CB-CE1 4.33Å; K381-Y399 HydrophobicContact CB-CE2 3.72Å; K381-Y399 HydrophobicContact CB-CG 3.85Å; K381-Y399 HydrophobicContact CD-CE1 4.15Å; K381-Y399 HydrophobicContact CD-CE2 3.98Å; K381-Y399 HydrophobicContact CG-CD1 4.09Å; K381-Y399 HydrophobicContact CG-CD2 4.18Å; K381-Y399 HydrophobicContact CG-CE1 3.86Å; K381-Y399 HydrophobicContact CG-CE2 3.97Å; K381-Y399 HydrophobicContact CG-CG 4.24Å; A384-Y399 HydrophobicContact CB-CD1 4.43Å; V393-Y399 HydrophobicContact CB-CD1 3.9Å; V393-Y399 HydrophobicContact CB-CE1 3.96Å; V393-Y399 HydrophobicContact CG2-CD1 4.14Å; V393-Y399 HydrophobicContact CG2-CE1 3.88Å; K394-Y399 WeakPolarHBondContact O-CD1 3.44Å; K394-Y399 WeakPolarHBondContact O-CE1 3.32Å; L395-Y399 CarbonylContact C-O 3.52Å; L395-Y399 HydrophobicContact CB-CE1 4.44Å; L395-Y399 HydrophobicContact CB-CE2 3.88Å; L395-Y399 HydrophobicContact CD1-CD2 3.89Å; L395-Y399 HydrophobicContact CD1-CE2 3.62Å; L395-Y399 HydrophobicContact CG-CE2 4.34Å; L395-Y399 VanDerWaalsContact N-CE1 3.28Å; N396-Y399 PolarHBondContact N-O 3.45Å
400V98.6Very high98Very high29 Ų2957.2 Ų57.218%0.17630%0.304CS..  trans-113.1162.7175.8-68.70000111.5S333 I378 M379 D404 F405S333-V400 WeakPolarHBondContact CB-O 3.34Å; S333-V400 PolarHBondContact OG-O 3.41Å; I378-V400 HydrophobicContact CG2-CG1 4.49Å; I378-V400 HydrophobicContact CG2-CG2 3.91Å; M379-V400 WeakPolarHBondContact O-CG2 3.32Å; M379-V400 PolarHBondContact O-N 2.88Å; V400-D404 HydrophobicContact CB-CB 3.96Å; V400-D404 HydrophobicContact CG1-CB 4.5Å; V400-F405 HydrophobicContact CG2-CB 3.67Å; V400-F405 HydrophobicContact CG2-CD2 3.89Å; V400-F405 HydrophobicContact CG2-CG 4.25Å
401N98.4Very high98.2Very high34 Ų3459 Ų5918%0.18231%0.307CS..  trans-71.4171.3174.474.850.6000110.8T332 L395 T403 D404 F405T332-N401 CarbonylContact O-C 3.57Å; T332-N401 VanDerWaalsContact O-CA 3.29Å; T332-N401 WeakPolarHBondContact O-CA 3.28Å; T332-N401 WeakPolarHBondContact O-CB 3.4Å; L395-N401 HydrophobicContact CD1-CB 4.14Å; N401-T403 PolarHBondContact O-N 3.23Å; N401-T403 WeakPolarHBondContact OD1-CA 3.44Å; N401-T403 WeakPolarHBondContact OD1-CB 3.32Å; N401-T403 PolarHBondContact OD1-N 3.35Å; N401-D404 PolarHBondContact ND2-OD1 3.15Å; N401-D404 PolarHBondContact ND2-OD2 2.82Å; N401-D404 PolarHBondContact OD1-N 3.24Å; N401-F405 WeakPolarHBondContact O-CB 3.41Å; N401-F405 PolarHBondContact O-N 3.45Å
402T98.4Very high98.3Very high5 Ų556.1 Ų56.13%0.03128%0.283CS..Hα-helixtrans-58.2-44.5-177.6-64.70000112.9M26 I30 T332 T334 L406M26-T402 HydrophobicContact CE-CG2 4.13Å; I30-T402 HydrophobicContact CD1-CG2 4.03Å; I30-T402 HydrophobicContact CG1-CG2 3.84Å; T332-T402 PolarHBondContact O-N 3.18Å; T332-T402 PolarHBondContact O-OG1 2.91Å; T334-T402 PolarHBondContact N-OG1 3.07Å; T334-T402 PolarHBondContact O-OG1 2.87Å; T402-L406 HydrophobicContact CG2-CD1 3.94Å; T402-L406 WeakPolarHBondContact O-CB 3.26Å; T402-L406 WeakPolarHBondContact O-CG 3.13Å; T402-L406 PolarHBondContact O-N 2.87Å
403T97.8Very high98.3Very high82 Ų8251.4 Ų51.450%0.50326%0.258SS..Hα-helixtrans-67.6-49.3-177.8-53.60000110.9N401 F405 L406 D407N401-T403 PolarHBondContact O-N 3.23Å; N401-T403 WeakPolarHBondContact OD1-CA 3.44Å; N401-T403 WeakPolarHBondContact OD1-CB 3.32Å; N401-T403 PolarHBondContact OD1-N 3.35Å; T403-F405 VanDerWaalsContact C-N 3.26Å; T403-F405 PolarHBondContact O-N 2.87Å; T403-L406 WeakPolarHBondContact O-CB 3.32Å; T403-L406 PolarHBondContact O-N 3.36Å; T403-L406 VanDerWaalsContact O-N 3.13Å; T403-D407 PolarHBondContact O-N 3.19Å
404D98.5Very high98.3Very high66 Ų6652.1 Ų52.135%0.35326%0.262SS..Hα-helixtrans-61.1-36.6179.5-64.9-4.6000111.6V400 N401 A408V400-D404 HydrophobicContact CB-CB 3.96Å; V400-D404 HydrophobicContact CG1-CB 4.5Å; N401-D404 PolarHBondContact ND2-OD1 3.15Å; N401-D404 PolarHBondContact ND2-OD2 2.82Å; N401-D404 PolarHBondContact OD1-N 3.24Å; D404-A408 WeakPolarHBondContact O-CB 3.1Å; D404-A408 PolarHBondContact O-N 2.72Å
405F98.8Very high98.3Very high0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-66.3-46.8174.8-170.6-109.4000111.9P336 I337 T373 V374 I378 T380 V400 N401 T403 D407 A408 I409P336-F405 VanDerWaalsContact CD-CD1 3.41Å; P336-F405 HydrophobicContact CG-CD1 3.52Å; P336-F405 HydrophobicContact CG-CE1 3.74Å; I337-F405 HydrophobicContact CD1-CE1 4.17Å; I337-F405 HydrophobicContact CD1-CZ 3.99Å; I337-F405 HydrophobicContact CG1-CE1 3.93Å; I337-F405 HydrophobicContact CG1-CZ 4.21Å; T373-F405 HydrophobicContact CG2-CE2 4Å; V374-F405 HydrophobicContact CG2-CE2 4.45Å; V374-F405 HydrophobicContact CG2-CZ 4.09Å; I378-F405 HydrophobicContact CG2-CD2 4.06Å; I378-F405 HydrophobicContact CG2-CE2 4.43Å; I378-F405 VanDerWaalsContact O-CE2 3.31Å; I378-F405 WeakPolarHBondContact O-CE2 2.98Å; T380-F405 HydrophobicContact CG2-CB 3.94Å; T380-F405 HydrophobicContact CG2-CD1 3.82Å; T380-F405 HydrophobicContact CG2-CD2 4.29Å; T380-F405 HydrophobicContact CG2-CE1 4.46Å; T380-F405 HydrophobicContact CG2-CG 3.73Å; V400-F405 HydrophobicContact CG2-CB 3.67Å; V400-F405 HydrophobicContact CG2-CD2 3.89Å; V400-F405 HydrophobicContact CG2-CG 4.25Å; N401-F405 WeakPolarHBondContact O-CB 3.41Å; N401-F405 PolarHBondContact O-N 3.45Å; T403-F405 VanDerWaalsContact C-N 3.26Å; T403-F405 PolarHBondContact O-N 2.87Å; F405-D407 VanDerWaalsContact C-N 3.32Å; F405-D407 PolarHBondContact O-N 3.35Å; F405-A408 WeakPolarHBondContact O-CB 3.09Å; F405-A408 PolarHBondContact O-N 3.42Å; F405-I409 HydrophobicContact CD1-CG1 4.42Å; F405-I409 HydrophobicContact CE1-CD1 4.35Å; F405-I409 HydrophobicContact CE1-CG1 4.08Å; F405-I409 HydrophobicContact CZ-CD1 4.14Å; F405-I409 HydrophobicContact CZ-CG1 4.28Å; F405-I409 WeakPolarHBondContact O-CG1 3.41Å; F405-I409 PolarHBondContact O-N 2.73Å
406L98.7Very high98.3Very high5 Ų553.9 Ų53.93%0.02628%0.275CS..Hα-helixtrans-61.5-39.6176.6-80.1169.9000112.1I30 F33 I34 P336 T402 T403 I409 K410I30-L406 HydrophobicContact CG1-CD1 4.5Å; F33-L406 HydrophobicContact CB-CD1 4.03Å; F33-L406 HydrophobicContact CD1-CB 3.85Å; F33-L406 HydrophobicContact CD1-CD1 4.04Å; F33-L406 HydrophobicContact CD1-CD2 3.78Å; F33-L406 HydrophobicContact CD1-CG 4.11Å; F33-L406 HydrophobicContact CD2-CB 4.34Å; F33-L406 HydrophobicContact CD2-CD1 4.3Å; F33-L406 HydrophobicContact CE1-CB 3.61Å; F33-L406 HydrophobicContact CE1-CD2 4.14Å; F33-L406 HydrophobicContact CE1-CG 4.34Å; F33-L406 HydrophobicContact CE2-CB 4.09Å; F33-L406 HydrophobicContact CG-CB 4.23Å; F33-L406 HydrophobicContact CG-CD1 3.87Å; F33-L406 HydrophobicContact CG-CD2 4.43Å; F33-L406 HydrophobicContact CG-CG 4.41Å; F33-L406 HydrophobicContact CZ-CB 3.73Å; I34-L406 HydrophobicContact CG1-CD2 4.47Å; P336-L406 HydrophobicContact CB-CD2 3.65Å; P336-L406 HydrophobicContact CB-CG 4.26Å; P336-L406 HydrophobicContact CG-CD2 3.65Å; P336-L406 HydrophobicContact CG-CG 4.04Å; T402-L406 HydrophobicContact CG2-CD1 3.94Å; T402-L406 WeakPolarHBondContact O-CB 3.26Å; T402-L406 WeakPolarHBondContact O-CG 3.13Å; T402-L406 PolarHBondContact O-N 2.87Å; T403-L406 WeakPolarHBondContact O-CB 3.32Å; T403-L406 PolarHBondContact O-N 3.36Å; T403-L406 VanDerWaalsContact O-N 3.13Å; L406-I409 WeakPolarHBondContact O-CB 3.34Å; L406-I409 PolarHBondContact O-N 2.87Å; L406-K410 PolarHBondContact O-N 3.1Å
407D98.6Very high98.2Very high73 Ų7351.4 Ų51.439%0.3926%0.261SS..Hα-helixtrans-66.6-38.1175.1-75.2-26.3000112.1F33 T403 F405 K410 K411F33-D407 WeakPolarHBondContact CE2-OD1 3.35Å; F33-D407 WeakPolarHBondContact CZ-OD1 3.12Å; T403-D407 PolarHBondContact O-N 3.19Å; F405-D407 VanDerWaalsContact C-N 3.32Å; F405-D407 PolarHBondContact O-N 3.35Å; D407-K410 PolarHBondContact O-N 3.39Å; D407-K411 WeakPolarHBondContact O-CB 3.23Å; D407-K411 PolarHBondContact O-N 2.88Å
408A98.7Very high98Very high15 Ų1548.9 Ų48.912%0.12427%0.269CS..Hα-helixtrans-62.2-44172.800000111.6T373 I378 D404 F405 K411 N412T373-A408 HydrophobicContact CG2-CB 4.37Å; I378-A408 HydrophobicContact CD1-CB 4.29Å; I378-A408 HydrophobicContact CG2-CB 3.95Å; D404-A408 WeakPolarHBondContact O-CB 3.1Å; D404-A408 PolarHBondContact O-N 2.72Å; F405-A408 WeakPolarHBondContact O-CB 3.09Å; F405-A408 PolarHBondContact O-N 3.42Å; A408-K411 PolarHBondContact O-N 2.95Å; A408-N412 WeakPolarHBondContact O-CB 3.41Å; A408-N412 VanDerWaalsContact O-CG 3.22Å; A408-N412 PolarHBondContact O-N 2.92Å; A408-N412 PolarHBondContact O-ND2 2.95Å
409I98.7Very high97.3Very high0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-59-48.4173.4-65.8-65000110.7L38 I340 L366 V369 C370 T373 F405 L406 K411 N412 L413L38-I409 HydrophobicContact CD1-CG2 4.03Å; L38-I409 HydrophobicContact CD2-CG2 4.29Å; I340-I409 HydrophobicContact CD1-CG2 4.23Å; L366-I409 HydrophobicContact CD1-CG2 4.17Å; V369-I409 HydrophobicContact CG1-CG2 4.39Å; C370-I409 HydrophobicContact CB-CD1 4.3Å; T373-I409 HydrophobicContact CG2-CD1 3.85Å; F405-I409 HydrophobicContact CD1-CG1 4.42Å; F405-I409 HydrophobicContact CE1-CD1 4.35Å; F405-I409 HydrophobicContact CE1-CG1 4.08Å; F405-I409 HydrophobicContact CZ-CD1 4.14Å; F405-I409 HydrophobicContact CZ-CG1 4.28Å; F405-I409 WeakPolarHBondContact O-CG1 3.41Å; F405-I409 PolarHBondContact O-N 2.73Å; L406-I409 WeakPolarHBondContact O-CB 3.34Å; L406-I409 PolarHBondContact O-N 2.87Å; I409-K411 PolarHBondContact O-N 2.71Å; I409-N412 PolarHBondContact O-N 3.05Å; I409-L413 WeakPolarHBondContact O-CB 3.39Å; I409-L413 PolarHBondContact O-N 3.49Å
410K98.6Very high97.3Very high58 Ų5855 Ų5525%0.25230%0.298SS..Hα-helixtrans-57.6-50.2178.8-173.3-167.9179.5-62.50111.4F33 K37 L38 L406 D407 N412 L413 D414F33-K410 HydrophobicContact CE1-CB 4.47Å; F33-K410 HydrophobicContact CZ-CB 4.38Å; K37-K410 HydrophobicContact CB-CD 4.21Å; L38-K410 HydrophobicContact CD2-CB 3.74Å; L38-K410 HydrophobicContact CD2-CG 4.04Å; L406-K410 PolarHBondContact O-N 3.1Å; D407-K410 PolarHBondContact O-N 3.39Å; K410-N412 VanDerWaalsContact C-N 3.32Å; K410-N412 PolarHBondContact O-N 2.71Å; K410-L413 WeakPolarHBondContact O-CB 3.12Å; K410-L413 PolarHBondContact O-N 3.07Å; K410-D414 IonicContact NZ-OD1 2.67Å; K410-D414 IonicContact NZ-OD2 3.83Å; K410-D414 PolarHBondContact NZ-OD2 2.81Å; K410-D414 PolarHBondContact O-N 2.77Å
411K98.5Very high97.2Very high153 Ų15356.4 Ų56.467%0.66531%0.305SS*.Hα-helixtrans-58.9-43.5178.8179.3-178.5176.6-178.30111.8D407 A408 I409 K415D407-K411 WeakPolarHBondContact O-CB 3.23Å; D407-K411 PolarHBondContact O-N 2.88Å; A408-K411 PolarHBondContact O-N 2.95Å; I409-K411 PolarHBondContact O-N 2.71Å; K411-K415 WeakPolarHBondContact O-CB 3.35Å; K411-K415 PolarHBondContact O-N 2.84Å
412N98.6Very high97.1Very high47 Ų4757.6 Ų57.625%0.25131%0.312SS..Hα-helixtrans-70-34.4179.7-70.7-16.2000112V369 T373 A408 I409 K410 A416V369-N412 HydrophobicContact CG1-CB 3.69Å; T373-N412 PolarHBondContact OG1-ND2 2.96Å; A408-N412 WeakPolarHBondContact O-CB 3.41Å; A408-N412 VanDerWaalsContact O-CG 3.22Å; A408-N412 PolarHBondContact O-N 2.92Å; A408-N412 PolarHBondContact O-ND2 2.95Å; I409-N412 PolarHBondContact O-N 3.05Å; K410-N412 VanDerWaalsContact C-N 3.32Å; K410-N412 PolarHBondContact O-N 2.71Å; N412-A416 WeakPolarHBondContact O-CB 3.31Å; N412-A416 PolarHBondContact O-N 2.79Å
413L98.5Very high97.1Very high1 Ų160.7 Ų60.71%0.00533%0.328CS..Hα-helixtrans-65.4-49.6172.8-179.965.6000111.4L38 F362 T365 L366 V369 I409 K410 K415 A416 L417L38-L413 HydrophobicContact CB-CD2 4.35Å; L38-L413 HydrophobicContact CD2-CD2 4.2Å; F362-L413 HydrophobicContact CE2-CD1 4.44Å; F362-L413 HydrophobicContact CE2-CD2 4.4Å; T365-L413 HydrophobicContact CG2-CD1 4.4Å; L366-L413 HydrophobicContact CB-CD1 4.25Å; L366-L413 HydrophobicContact CD1-CD1 4.15Å; L366-L413 HydrophobicContact CD1-CD2 4.03Å; V369-L413 HydrophobicContact CG1-CB 4.36Å; I409-L413 WeakPolarHBondContact O-CB 3.39Å; I409-L413 PolarHBondContact O-N 3.49Å; K410-L413 WeakPolarHBondContact O-CB 3.12Å; K410-L413 PolarHBondContact O-N 3.07Å; L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.75Å; L413-A416 PolarHBondContact O-N 3.21Å; L413-L417 HydrophobicContact CD1-CD1 3.86Å; L413-L417 HydrophobicContact CD1-CG 4.09Å; L413-L417 HydrophobicContact CG-CD1 3.89Å; L413-L417 HydrophobicContact CG-CG 4.4Å; L413-L417 WeakPolarHBondContact O-CG 3.24Å; L413-L417 PolarHBondContact O-N 2.96Å
414D97.9Very high97Very high31 Ų3159.4 Ų59.417%0.16632%0.317CS..Hα-helixtrans-56.2-45.8177.8-71.3-25.4000110.3K410 A416 L417 G418 K419K410-D414 IonicContact NZ-OD1 2.67Å; K410-D414 IonicContact NZ-OD2 3.83Å; K410-D414 PolarHBondContact NZ-OD2 2.81Å; K410-D414 PolarHBondContact O-N 2.77Å; D414-A416 PolarHBondContact O-N 2.86Å; D414-L417 CarbonylContact O-C 3.54Å; D414-L417 PolarHBondContact O-N 2.85Å; D414-G418 PolarHBondContact O-N 3.33Å; D414-K419 HydrophobicContact CB-CB 4.08Å; D414-K419 PolarHBondContact O-N 2.82Å
415K97.9Very high96.9Very high174 Ų17458.9 Ų58.976%0.75732%0.315SS*.Hα-helixtrans-59.1-44.6174-175.3-176.9178-173.50112.5K411 L413 L417 G418K411-K415 WeakPolarHBondContact O-CB 3.35Å; K411-K415 PolarHBondContact O-N 2.84Å; L413-K415 VanDerWaalsContact C-N 3.28Å; L413-K415 PolarHBondContact O-N 2.75Å; K415-L417 VanDerWaalsContact C-N 3.26Å; K415-L417 PolarHBondContact O-N 2.83Å; K415-G418 PolarHBondContact O-N 2.85Å
416A97.4Very high96.8Very high46 Ų4663.1 Ų63.138%0.3834%0.337SS..Hα-helixtrans-67-27.2179.700000113T365 V369 N412 L413 D414T365-A416 HydrophobicContact CG2-CB 4.04Å; V369-A416 HydrophobicContact CG2-CB 3.88Å; N412-A416 WeakPolarHBondContact O-CB 3.31Å; N412-A416 PolarHBondContact O-N 2.79Å; L413-A416 PolarHBondContact O-N 3.21Å; D414-A416 PolarHBondContact O-N 2.86Å
417L95.2Very high96.6Very high64 Ų6467.6 Ų67.634%0.33536%0.361SS..Hα-helixtrans-92.7-2.1176.6-62.2178.3000113.4N42 F362 T365 L413 D414 K415 K419N42-L417 HydrophobicContact CB-CD1 4.45Å; N42-L417 VanDerWaalsContact OD1-CD1 3.25Å; N42-L417 WeakPolarHBondContact OD1-CD1 3.28Å; F362-L417 HydrophobicContact CD2-CD1 4.19Å; F362-L417 HydrophobicContact CD2-CD2 4.49Å; F362-L417 HydrophobicContact CE2-CD1 4.05Å; T365-L417 HydrophobicContact CG2-CD2 4.22Å; L413-L417 HydrophobicContact CD1-CD1 3.86Å; L413-L417 HydrophobicContact CD1-CG 4.09Å; L413-L417 HydrophobicContact CG-CD1 3.89Å; L413-L417 HydrophobicContact CG-CG 4.4Å; L413-L417 WeakPolarHBondContact O-CG 3.24Å; L413-L417 PolarHBondContact O-N 2.96Å; D414-L417 CarbonylContact O-C 3.54Å; D414-L417 PolarHBondContact O-N 2.85Å; K415-L417 VanDerWaalsContact C-N 3.26Å; K415-L417 PolarHBondContact O-N 2.83Å; L417-K419 HydrophobicContact CB-CG 4.44Å
418G92.6Very high96.5Very high72 Ų7267.2 Ų67.274%0.74236%0.359SS*.THydrogen-bonded Turntrans71.533.5179.900000114.1D414 K415D414-G418 PolarHBondContact O-N 3.33Å; K415-G418 PolarHBondContact O-N 2.85Å
419K85.3Confident96.3Very high145 Ų14571.9 Ų71.963%0.6338%0.38SS*.  trans-960177.8-69.7-174.8172-1720113.4T41 N42 D414 L417T41-K419 PolarHBondContact O-NZ 2.97Å; N42-K419 WeakPolarHBondContact OD1-CE 3.39Å; N42-K419 PolarHBondContact OD1-NZ 2.86Å; D414-K419 HydrophobicContact CB-CB 4.08Å; D414-K419 PolarHBondContact O-N 2.82Å; L417-K419 HydrophobicContact CB-CG 4.44Å

Retrieved 419 of 419 residues in 357.9 ms (Link to these results)

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