A0A5K4EZL5_SCHMA Loading...

C3H1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 510 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
1M59.8Low81.2Confident214 Ų214113.7 Ų113.7100%1.05456%0.559SS**  0113.90-81.5-178.3166.600107.3F14M1-F14 HydrophobicContact SD-CZ 4.35Å
2D76.5Confident82Confident128 Ų128117.4 Ų117.468%0.68456%0.563SS**  trans-67.5152.6165.5-173.711.3000109.7S4D2-S4 WeakPolarHBondContact OD1-CB 3.48Å; D2-S4 PolarHBondContact OD1-N 3.33Å; D2-S4 PolarHBondContact OD1-OG 2.91Å; D2-S4 WeakPolarHBondContact OD2-CB 3.45Å; D2-S4 PolarHBondContact OD2-OG 3.09Å
3L78.6Confident82.7Confident36 Ų36112.7 Ų112.719%0.18856%0.555CS.*  trans-123.34178.8-59.6175.3000112.2H5 M6 R11 F14 L15L3-H5 PolarHBondContact O-N 3.39Å; L3-M6 HydrophobicContact CD2-SD 3.68Å; L3-M6 WeakPolarHBondContact O-CB 3.46Å; L3-M6 PolarHBondContact O-N 3.03Å; L3-R11 HydrophobicContact CB-CG 4.04Å; L3-R11 HydrophobicContact CD1-CG 4.16Å; L3-R11 PolarHBondContact O-NE 3.33Å; L3-R11 PolarHBondContact O-NH2 2.84Å; L3-F14 HydrophobicContact CD1-CD1 4.1Å; L3-F14 HydrophobicContact CD1-CE1 4.3Å; L3-F14 HydrophobicContact CD2-CD1 3.63Å; L3-F14 HydrophobicContact CD2-CE1 3.62Å; L3-F14 HydrophobicContact CD2-CG 4.41Å; L3-F14 HydrophobicContact CD2-CZ 4.4Å; L3-L15 HydrophobicContact CD1-CD2 4.32Å
4S74.5Confident83.3Confident55 Ų55108.7 Ų108.739%0.38553%0.533SS..THydrogen-bonded Turntrans-39.4-62.9176.354.60000112.9D2 M6 R11D2-S4 WeakPolarHBondContact OD1-CB 3.48Å; D2-S4 PolarHBondContact OD1-N 3.33Å; D2-S4 PolarHBondContact OD1-OG 2.91Å; D2-S4 WeakPolarHBondContact OD2-CB 3.45Å; D2-S4 PolarHBondContact OD2-OG 3.09Å; S4-M6 PolarHBondContact O-N 3.03Å; S4-R11 PolarHBondContact O-NH2 2.9Å
5H80.4Confident83.8Confident189 Ų189107.5 Ų107.588%0.87553%0.529SS*.THydrogen-bonded Turntrans-64.2-9.2-177.6-65.2-86.9000115.4L3L3-H5 PolarHBondContact O-N 3.39Å
6M82.5Confident84.4Confident67 Ų67109.9 Ų109.933%0.3354%0.536SS..SBendtrans-85.1125.7179.4-60.5-167.378.400111.9L3 S4 A10 R11 F14L3-M6 HydrophobicContact CD2-SD 3.68Å; L3-M6 WeakPolarHBondContact O-CB 3.46Å; L3-M6 PolarHBondContact O-N 3.03Å; S4-M6 PolarHBondContact O-N 3.03Å; M6-A10 HydrophobicContact CB-CB 4.49Å; M6-A10 HydrophobicContact CE-CB 3.84Å; M6-R11 HydrophobicContact CB-CB 4.16Å; M6-F14 HydrophobicContact CE-CB 4.22Å; M6-F14 HydrophobicContact SD-CB 4.37Å; M6-F14 HydrophobicContact SD-CG 4.49Å
7S86.5Confident84.9Confident79 Ų79112.2 Ų112.255%0.55254%0.542SS*.  trans-53148.9170.775.20000111.8R9 A10 R11S7-R9 PolarHBondContact O-N 2.89Å; S7-R9 VanDerWaalsContact O-N 3.09Å; S7-A10 CarbonylContact O-C 3.44Å; S7-A10 WeakPolarHBondContact O-CA 3.43Å; S7-A10 PolarHBondContact O-N 3.45Å; S7-R11 PolarHBondContact O-N 3.01Å
8H86.3Confident85.3Confident128 Ų128109.4 Ų109.459%0.59353%0.53SS*.Hα-helixtrans-52.8-38.2-174.5176.1-135.9000113.4R12H8-R12 PolarHBondContact CE1-NE 2.88Å; H8-R12 VanDerWaalsContact CE1-NE 3.33Å; H8-R12 PolarHBondContact NE2-NE 3.36Å; H8-R12 PolarHBondContact NE2-NH2 3.17Å; H8-R12 WeakPolarHBondContact O-CB 3.36Å; H8-R12 WeakPolarHBondContact O-CG 3.46Å; H8-R12 PolarHBondContact O-N 3.34Å
9R90.2Very high85.8Confident224 Ų224111.6 Ų111.685%0.84554%0.537SS*.Hα-helixtrans-63.9-46175.1-159.6-179-162.3-171.66.5111.7S7 A13S7-R9 PolarHBondContact O-N 2.89Å; S7-R9 VanDerWaalsContact O-N 3.09Å; R9-A13 WeakPolarHBondContact O-CB 3.38Å; R9-A13 PolarHBondContact O-N 2.99Å
10A89.3Confident86.2Confident34 Ų34114.1 Ų114.128%0.28154%0.54SS..Hα-helixtrans-69.2-41.3178.900000112.1M6 S7 A13 F14M6-A10 HydrophobicContact CB-CB 4.49Å; M6-A10 HydrophobicContact CE-CB 3.84Å; S7-A10 CarbonylContact O-C 3.44Å; S7-A10 WeakPolarHBondContact O-CA 3.43Å; S7-A10 PolarHBondContact O-N 3.45Å; A10-A13 WeakPolarHBondContact O-CB 3.44Å; A10-A13 PolarHBondContact O-N 3.42Å; A10-A13 VanDerWaalsContact O-N 3.17Å; A10-F14 PolarHBondContact O-N 3.46Å
11R88.4Confident86.6Confident97 Ų97114.1 Ų114.137%0.36654%0.538SS..Hα-helixtrans-60.7-45.7174.9-162.4-177.6-64.3179.37111.2L3 S4 M6 S7 A13 F14 L15L3-R11 HydrophobicContact CB-CG 4.04Å; L3-R11 HydrophobicContact CD1-CG 4.16Å; L3-R11 PolarHBondContact O-NE 3.33Å; L3-R11 PolarHBondContact O-NH2 2.84Å; S4-R11 PolarHBondContact O-NH2 2.9Å; M6-R11 HydrophobicContact CB-CB 4.16Å; S7-R11 PolarHBondContact O-N 3.01Å; R11-A13 PolarHBondContact O-N 3.02Å; R11-F14 PolarHBondContact O-N 3Å; R11-L15 WeakPolarHBondContact O-CG 3.49Å; R11-L15 PolarHBondContact O-N 2.82Å
12R90.9Very high88.2Confident158 Ų158112.2 Ų112.260%0.59652%0.52SS*.Hα-helixtrans-60.3-41.2172.4-78.1-169.7179.2-151.2-0.8112.4H8 K16H8-R12 PolarHBondContact CE1-NE 2.88Å; H8-R12 VanDerWaalsContact CE1-NE 3.33Å; H8-R12 PolarHBondContact NE2-NE 3.36Å; H8-R12 PolarHBondContact NE2-NH2 3.17Å; H8-R12 WeakPolarHBondContact O-CB 3.36Å; H8-R12 WeakPolarHBondContact O-CG 3.46Å; H8-R12 PolarHBondContact O-N 3.34Å; R12-K16 WeakPolarHBondContact O-CG 3.34Å; R12-K16 PolarHBondContact O-N 2.85Å
13A90.8Very high89Confident56 Ų56112.7 Ų112.746%0.46352%0.516SS..Hα-helixtrans-65.3-42177.900000112.4R9 A10 R11 K16 K17R9-A13 WeakPolarHBondContact O-CB 3.38Å; R9-A13 PolarHBondContact O-N 2.99Å; A10-A13 WeakPolarHBondContact O-CB 3.44Å; A10-A13 PolarHBondContact O-N 3.42Å; A10-A13 VanDerWaalsContact O-N 3.17Å; R11-A13 PolarHBondContact O-N 3.02Å; A13-K16 PolarHBondContact O-N 3.29Å; A13-K17 PolarHBondContact O-N 3.23Å
14F91.1Very high89.7Confident57 Ų57119.6 Ų119.625%0.2554%0.539CS..Hα-helixtrans-62.9-46.1175.8-177.5-100.8000112M1 L3 M6 A10 R11 K16 K17 L18M1-F14 HydrophobicContact SD-CZ 4.35Å; L3-F14 HydrophobicContact CD1-CD1 4.1Å; L3-F14 HydrophobicContact CD1-CE1 4.3Å; L3-F14 HydrophobicContact CD2-CD1 3.63Å; L3-F14 HydrophobicContact CD2-CE1 3.62Å; L3-F14 HydrophobicContact CD2-CG 4.41Å; L3-F14 HydrophobicContact CD2-CZ 4.4Å; M6-F14 HydrophobicContact CE-CB 4.22Å; M6-F14 HydrophobicContact SD-CB 4.37Å; M6-F14 HydrophobicContact SD-CG 4.49Å; A10-F14 PolarHBondContact O-N 3.46Å; R11-F14 PolarHBondContact O-N 3Å; F14-K16 VanDerWaalsContact C-N 3.34Å; F14-K16 PolarHBondContact O-N 3.11Å; F14-K17 CarbonylContact O-C 3.02Å; F14-K17 WeakPolarHBondContact O-CA 3.44Å; F14-K17 WeakPolarHBondContact O-CB 3.5Å; F14-K17 PolarHBondContact O-N 3.12Å; F14-L18 HydrophobicContact CD1-CD1 3.96Å; F14-L18 HydrophobicContact CD1-CG 4.42Å; F14-L18 HydrophobicContact CE1-CD1 3.39Å; F14-L18 HydrophobicContact CE1-CG 4.03Å; F14-L18 HydrophobicContact CZ-CD1 3.92Å; F14-L18 HydrophobicContact CZ-CG 4.22Å; F14-L18 PolarHBondContact O-N 3.2Å
15L90.9Very high90.6Very high91 Ų91122 Ų12248%0.47654%0.544SS..Hα-helixtrans-62.2-39.4175.3-67.1171.6000111.9L3 R11 K17 L18 K19L3-L15 HydrophobicContact CD1-CD2 4.32Å; R11-L15 WeakPolarHBondContact O-CG 3.49Å; R11-L15 PolarHBondContact O-N 2.82Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 2.96Å; L15-K19 PolarHBondContact O-N 3.06Å
16K93.4Very high91.3Very high145 Ų145118.3 Ų118.363%0.6353%0.527SS*.Hα-helixtrans-65-29.9170.3-75.3-175.8176.8-172.50113.1R12 A13 F14 R20R12-K16 WeakPolarHBondContact O-CG 3.34Å; R12-K16 PolarHBondContact O-N 2.85Å; A13-K16 PolarHBondContact O-N 3.29Å; F14-K16 VanDerWaalsContact C-N 3.34Å; F14-K16 PolarHBondContact O-N 3.11Å; K16-R20 WeakPolarHBondContact O-CB 3.32Å; K16-R20 WeakPolarHBondContact O-CG 3.42Å; K16-R20 PolarHBondContact O-N 3.43Å; K16-R20 PolarHBondContact O-NE 2.88Å
17K93.1Very high91.9Very high149 Ų149119.7 Ų119.765%0.64854%0.536SS*.Hα-helixtrans-70.5-44.3172.9-168.4177.1-178.9178.30110.6A13 F14 L15 R20 K21A13-K17 PolarHBondContact O-N 3.23Å; F14-K17 CarbonylContact O-C 3.02Å; F14-K17 WeakPolarHBondContact O-CA 3.44Å; F14-K17 WeakPolarHBondContact O-CB 3.5Å; F14-K17 PolarHBondContact O-N 3.12Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 2.89Å; K17-R20 PolarHBondContact O-N 3.3Å; K17-K21 PolarHBondContact O-N 2.95Å
18L93Very high92.1Very high63 Ų63118.2 Ų118.233%0.3353%0.529SS..Hα-helixtrans-65.6-42175.9-74.9-179.9000113.5F14 L15 R20 K21 R22F14-L18 HydrophobicContact CD1-CD1 3.96Å; F14-L18 HydrophobicContact CD1-CG 4.42Å; F14-L18 HydrophobicContact CE1-CD1 3.39Å; F14-L18 HydrophobicContact CE1-CG 4.03Å; F14-L18 HydrophobicContact CZ-CD1 3.92Å; F14-L18 HydrophobicContact CZ-CG 4.22Å; F14-L18 PolarHBondContact O-N 3.2Å; L15-L18 PolarHBondContact O-N 2.96Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.94Å; L18-K21 PolarHBondContact O-N 3.41Å; L18-R22 PolarHBondContact O-N 3.46Å
19K93.7Very high92.5Very high151 Ų151118.5 Ų118.566%0.65753%0.528SS*.Hα-helixtrans-62.2-40.2176.2-168.9170.1-175.6172.80111.5L15 K23L15-K19 PolarHBondContact O-N 3.06Å; K19-K23 PolarHBondContact O-N 3.06Å; K19-K23 VanDerWaalsContact O-N 3.12Å
20R94Very high92.7Very high160 Ų160112.4 Ų112.460%0.60451%0.509SS*.Hα-helixtrans-69.3-34.2173.1-73.3-179.1-70-179.32.5113.2K16 K17 L18 R24K16-R20 WeakPolarHBondContact O-CB 3.32Å; K16-R20 WeakPolarHBondContact O-CG 3.42Å; K16-R20 PolarHBondContact O-N 3.43Å; K16-R20 PolarHBondContact O-NE 2.88Å; K17-R20 PolarHBondContact O-N 3.3Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.94Å; R20-R24 WeakPolarHBondContact O-CG 3.18Å; R20-R24 PolarHBondContact O-N 2.56Å
21K94.2Very high92.9Very high115 Ų115114 Ų11450%0.551%0.512SS..Hα-helixtrans-63.2-50.1172.8-168.9-173.8172.1179.40110.6K17 L18 R24 Q25K17-K21 PolarHBondContact O-N 2.95Å; L18-K21 PolarHBondContact O-N 3.41Å; K21-R24 PolarHBondContact O-N 3.42Å; K21-Q25 WeakPolarHBondContact O-CG 3.39Å; K21-Q25 PolarHBondContact O-N 3.12Å
22R94.1Very high93.1Very high174 Ų174112.8 Ų112.866%0.65752%0.516SS*.Hα-helixtrans-57-54.4178.1-84-171-93.2-175.9-8.1112.3L18 R24 Q25 E26L18-R22 PolarHBondContact O-N 3.46Å; R22-R24 PolarHBondContact O-N 2.92Å; R22-R24 VanDerWaalsContact O-N 3.11Å; R22-Q25 WeakPolarHBondContact O-CA 3.43Å; R22-Q25 PolarHBondContact O-N 3.25Å; R22-E26 WeakPolarHBondContact O-CB 3.23Å; R22-E26 PolarHBondContact O-N 2.91Å
23K93Very high93.2Very high138 Ų138110.2 Ų110.260%0.651%0.51SS*.Hα-helixtrans-54.5-33.4177.7-82-150.6163.9-144.60114.5K19 L27K19-K23 PolarHBondContact O-N 3.06Å; K19-K23 VanDerWaalsContact O-N 3.12Å; K23-L27 WeakPolarHBondContact O-CB 3.08Å; K23-L27 PolarHBondContact O-N 3.49Å; K23-L27 VanDerWaalsContact O-N 3.08Å
24R93.5Very high93.3Very high181 Ų181114.5 Ų114.568%0.68352%0.515SS*.Hα-helixtrans-78.6-27.8175.5-69.8-171.3-55-149.98.4113.8R20 K21 R22 A28R20-R24 WeakPolarHBondContact O-CG 3.18Å; R20-R24 PolarHBondContact O-N 2.56Å; K21-R24 PolarHBondContact O-N 3.42Å; R22-R24 PolarHBondContact O-N 2.92Å; R22-R24 VanDerWaalsContact O-N 3.11Å; R24-A28 WeakPolarHBondContact O-CB 3.14Å; R24-A28 PolarHBondContact O-N 3.12Å; R24-A28 VanDerWaalsContact O-N 3.15Å
25Q94.3Very high93.4Very high105 Ų105116.3 Ų116.349%0.49152%0.524SS..Hα-helixtrans-75.8-33.7173.5-68.4178.6-85.900111.5K21 R22 K29K21-Q25 WeakPolarHBondContact O-CG 3.39Å; K21-Q25 PolarHBondContact O-N 3.12Å; R22-Q25 WeakPolarHBondContact O-CA 3.43Å; R22-Q25 PolarHBondContact O-N 3.25Å; Q25-K29 WeakPolarHBondContact O-CG 3.35Å; Q25-K29 PolarHBondContact O-N 2.8Å
26E94.5Very high93.5Very high112 Ų112116 Ų11652%0.52352%0.522SS..Hα-helixtrans-64.8-59.3174.1-167.3163.4-123.500110.3R22 A28 K29 E30R22-E26 WeakPolarHBondContact O-CB 3.23Å; R22-E26 PolarHBondContact O-N 2.91Å; E26-A28 PolarHBondContact O-N 3.1Å; E26-K29 WeakPolarHBondContact O-CA 3.37Å; E26-K29 WeakPolarHBondContact O-CB 3.46Å; E26-K29 PolarHBondContact O-N 3.48Å; E26-E30 PolarHBondContact O-N 3.49Å
27L93.8Very high93.4Very high96 Ų96115.3 Ų115.350%0.50352%0.521SS..Hα-helixtrans-59.3-30.7175.5-176.8149.8000113.6K23 I31K23-L27 WeakPolarHBondContact O-CB 3.08Å; K23-L27 PolarHBondContact O-N 3.49Å; K23-L27 VanDerWaalsContact O-N 3.08Å; L27-I31 HydrophobicContact CD2-CD1 3.69Å; L27-I31 HydrophobicContact CD2-CG1 4.48Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.31Å; L27-I31 VanDerWaalsContact O-N 3.12Å
28A92.6Very high93.3Very high49 Ų49112.9 Ų112.941%0.40551%0.512SS..Hα-helixtrans-71.6-28.6174.200000113.3R24 E26 V32R24-A28 WeakPolarHBondContact O-CB 3.14Å; R24-A28 PolarHBondContact O-N 3.12Å; R24-A28 VanDerWaalsContact O-N 3.15Å; E26-A28 PolarHBondContact O-N 3.1Å; A28-V32 WeakPolarHBondContact O-CG2 3.42Å; A28-V32 PolarHBondContact O-N 3.07Å
29K94.5Very high93.2Very high133 Ų133114 Ų11458%0.57852%0.518SS*.Hα-helixtrans-70.6-48.5169.3-74.7179.5168.4-159.40110.8Q25 E26 I31 V32 E33Q25-K29 WeakPolarHBondContact O-CG 3.35Å; Q25-K29 PolarHBondContact O-N 2.8Å; E26-K29 WeakPolarHBondContact O-CA 3.37Å; E26-K29 WeakPolarHBondContact O-CB 3.46Å; E26-K29 PolarHBondContact O-N 3.48Å; K29-I31 PolarHBondContact O-N 3.33Å; K29-I31 VanDerWaalsContact O-N 3.1Å; K29-V32 PolarHBondContact O-N 3.08Å; K29-E33 WeakPolarHBondContact O-CB 3.37Å; K29-E33 WeakPolarHBondContact O-CG 3.5Å; K29-E33 PolarHBondContact O-N 2.93Å
30E94.1Very high93.1Very high96 Ų96110.6 Ų110.645%0.44951%0.506SS..Hα-helixtrans-57-27.8178.4-65.3169175.700113E26 R34E26-E30 PolarHBondContact O-N 3.49Å; E30-R34 WeakPolarHBondContact O-CG 3.42Å; E30-R34 PolarHBondContact O-N 2.71Å; E30-R34 PolarHBondContact O-NE 2.75Å; E30-R34 PolarHBondContact O-NH2 2.91Å
31I92.7Very high93Very high67 Ų67110.5 Ų110.534%0.34451%0.506SS..Hα-helixtrans-72.9-53.4170.5-70.8168.9000110.7L27 K29 E33 R34 E35L27-I31 HydrophobicContact CD2-CD1 3.69Å; L27-I31 HydrophobicContact CD2-CG1 4.48Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.31Å; L27-I31 VanDerWaalsContact O-N 3.12Å; K29-I31 PolarHBondContact O-N 3.33Å; K29-I31 VanDerWaalsContact O-N 3.1Å; I31-E33 VanDerWaalsContact C-N 3.32Å; I31-E33 PolarHBondContact O-N 3.15Å; I31-R34 PolarHBondContact O-N 3.18Å; I31-E35 HydrophobicContact CG2-CG 4.41Å; I31-E35 WeakPolarHBondContact O-CG 3.41Å; I31-E35 PolarHBondContact O-N 3.32Å
32V93.4Very high92.7Very high73 Ų73108.5 Ų108.544%0.44250%0.5SS..Hα-helixtrans-62.7-37.6-177.7171.10000112.3A28 K29 E35 I36A28-V32 WeakPolarHBondContact O-CG2 3.42Å; A28-V32 PolarHBondContact O-N 3.07Å; K29-V32 PolarHBondContact O-N 3.08Å; V32-E35 PolarHBondContact O-N 2.68Å; V32-I36 HydrophobicContact CG1-CD1 3.93Å; V32-I36 WeakPolarHBondContact O-CD1 3.08Å; V32-I36 VanDerWaalsContact O-CG1 3.25Å; V32-I36 WeakPolarHBondContact O-CG1 3.24Å; V32-I36 PolarHBondContact O-N 3.33Å
33E93.4Very high92.4Very high103 Ų103104.9 Ų104.948%0.48149%0.491SS..Hα-helixtrans-65.7-44177.5-73.4158.3-170.400110.5K29 I31 I36 E37K29-E33 WeakPolarHBondContact O-CB 3.37Å; K29-E33 WeakPolarHBondContact O-CG 3.5Å; K29-E33 PolarHBondContact O-N 2.93Å; I31-E33 VanDerWaalsContact C-N 3.32Å; I31-E33 PolarHBondContact O-N 3.15Å; E33-I36 PolarHBondContact O-N 2.72Å; E33-E37 WeakPolarHBondContact O-CG 3.4Å; E33-E37 PolarHBondContact O-N 3.06Å
34R92.9Very high92.3Very high147 Ų147104.8 Ų104.856%0.55550%0.496SS*.Hα-helixtrans-67.3-35.6172.9-74.9-179.3-66.3148.40.7113.8E30 I31 I36 E37 E38E30-R34 WeakPolarHBondContact O-CG 3.42Å; E30-R34 PolarHBondContact O-N 2.71Å; E30-R34 PolarHBondContact O-NE 2.75Å; E30-R34 PolarHBondContact O-NH2 2.91Å; I31-R34 PolarHBondContact O-N 3.18Å; R34-I36 VanDerWaalsContact C-N 3.29Å; R34-I36 PolarHBondContact O-N 2.91Å; R34-E37 PolarHBondContact O-N 2.91Å; R34-E38 WeakPolarHBondContact O-CB 3.16Å; R34-E38 PolarHBondContact O-N 3.01Å
35E92Very high92.2Very high94 Ų9498.2 Ų98.244%0.43948%0.478SS..Hα-helixtrans-61.7-38.7172.4-75.7178.9174.100111.1I31 V32 L39I31-E35 HydrophobicContact CG2-CG 4.41Å; I31-E35 WeakPolarHBondContact O-CG 3.41Å; I31-E35 PolarHBondContact O-N 3.32Å; V32-E35 PolarHBondContact O-N 2.68Å; E35-L39 WeakPolarHBondContact O-CB 3.44Å; E35-L39 WeakPolarHBondContact O-CD1 3.41Å; E35-L39 WeakPolarHBondContact O-CG 3.44Å; E35-L39 PolarHBondContact O-N 3.02Å
36I93.3Very high92.2Very high86 Ų8698 Ų9844%0.44149%0.485SS..Hα-helixtrans-68.8-44.5175.5-69.3163.8000111.1V32 E33 R34 L39 N40V32-I36 HydrophobicContact CG1-CD1 3.93Å; V32-I36 WeakPolarHBondContact O-CD1 3.08Å; V32-I36 VanDerWaalsContact O-CG1 3.25Å; V32-I36 WeakPolarHBondContact O-CG1 3.24Å; V32-I36 PolarHBondContact O-N 3.33Å; E33-I36 PolarHBondContact O-N 2.72Å; R34-I36 VanDerWaalsContact C-N 3.29Å; R34-I36 PolarHBondContact O-N 2.91Å; I36-L39 PolarHBondContact O-N 3.48Å; I36-N40 WeakPolarHBondContact O-CB 3.37Å; I36-N40 PolarHBondContact O-N 3.07Å; I36-N40 PolarHBondContact O-ND2 3.33Å
37E91.7Very high92Very high129 Ų12997 Ų9760%0.60349%0.491SS*.Hα-helixtrans-60.9-43.7175.8-72.6176166.200112.3E33 R34 N40 R41E33-E37 WeakPolarHBondContact O-CG 3.4Å; E33-E37 PolarHBondContact O-N 3.06Å; R34-E37 PolarHBondContact O-N 2.91Å; E37-N40 PolarHBondContact O-N 3.1Å; E37-R41 WeakPolarHBondContact O-CB 3.47Å; E37-R41 PolarHBondContact O-N 2.68Å
38E90.7Very high91.9Very high99 Ų9995.3 Ų95.346%0.46348%0.478SS..Hα-helixtrans-66.2-40.4176.6179156-121.600112R34 R41 L42R34-E38 WeakPolarHBondContact O-CB 3.16Å; R34-E38 PolarHBondContact O-N 3.01Å; E38-R41 PolarHBondContact O-N 3.49Å; E38-R41 IonicContact OE1-CZ 2.72Å; E38-R41 IonicContact OE1-NH2 3.74Å; E38-R41 PolarHBondContact OE1-NH2 3.18Å; E38-L42 HydrophobicContact CG-CD1 4.07Å; E38-L42 HydrophobicContact CG-CG 4.49Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 VanDerWaalsContact O-CG 3.28Å; E38-L42 WeakPolarHBondContact O-CG 3.38Å; E38-L42 PolarHBondContact O-N 3.24Å
39L90.6Very high91.8Very high87 Ų8797.6 Ų97.646%0.45548%0.481SS..Hα-helixtrans-62.6-41.9173.6-77169.2000112.2E35 I36 L42 Q43E35-L39 WeakPolarHBondContact O-CB 3.44Å; E35-L39 WeakPolarHBondContact O-CD1 3.41Å; E35-L39 WeakPolarHBondContact O-CG 3.44Å; E35-L39 PolarHBondContact O-N 3.02Å; I36-L39 PolarHBondContact O-N 3.48Å; L39-L42 PolarHBondContact O-N 3.23Å; L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 VanDerWaalsContact O-CG 3.31Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 3.4Å
40N92.1Very high91.7Very high78 Ų7894.3 Ų94.342%0.41748%0.478SS..Hα-helixtrans-63.8-44.8175.3-69.9-20.2000111.2I36 E37 L42 Q43 L44I36-N40 WeakPolarHBondContact O-CB 3.37Å; I36-N40 PolarHBondContact O-N 3.07Å; I36-N40 PolarHBondContact O-ND2 3.33Å; E37-N40 PolarHBondContact O-N 3.1Å; N40-L42 VanDerWaalsContact C-N 3.3Å; N40-L42 PolarHBondContact O-N 2.75Å; N40-Q43 PolarHBondContact O-N 2.89Å; N40-L44 WeakPolarHBondContact O-CG 3.42Å; N40-L44 PolarHBondContact O-N 3.39Å
41R90.9Very high91.5Very high159 Ų15994.5 Ų94.560%0.648%0.479SS*.Hα-helixtrans-60.6-38.5175.5-174.1-174.267-177.4-2112.1E37 E38 S45E37-R41 WeakPolarHBondContact O-CB 3.47Å; E37-R41 PolarHBondContact O-N 2.68Å; E38-R41 PolarHBondContact O-N 3.49Å; E38-R41 IonicContact OE1-CZ 2.72Å; E38-R41 IonicContact OE1-NH2 3.74Å; E38-R41 PolarHBondContact OE1-NH2 3.18Å; R41-S45 PolarHBondContact O-N 2.93Å
42L88.4Confident91.4Very high72 Ų7295.1 Ų95.138%0.37748%0.481SS..Hα-helixtrans-68.3-45.9174.2-72.9167.4000111.3E38 L39 N40 L44 S45 Y48E38-L42 HydrophobicContact CG-CD1 4.07Å; E38-L42 HydrophobicContact CG-CG 4.49Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 VanDerWaalsContact O-CG 3.28Å; E38-L42 WeakPolarHBondContact O-CG 3.38Å; E38-L42 PolarHBondContact O-N 3.24Å; L39-L42 PolarHBondContact O-N 3.23Å; N40-L42 VanDerWaalsContact C-N 3.3Å; N40-L42 PolarHBondContact O-N 2.75Å; L42-L44 PolarHBondContact O-N 2.81Å; L42-S45 VanDerWaalsContact O-CB 3.28Å; L42-S45 WeakPolarHBondContact O-CB 3.43Å; L42-S45 PolarHBondContact O-N 3.48Å; L42-Y48 WeakPolarHBondContact O-CB 3.34Å; L42-Y48 WeakPolarHBondContact O-CD1 3.42Å
43Q88.8Confident91.3Very high99 Ų9994.5 Ų94.546%0.46348%0.483SS..Hα-helixtrans-60.6-30.9177.3-75.9176.12.700113.6L39 N40 S45 Y48 Q49L39-Q43 WeakPolarHBondContact O-CB 3.23Å; L39-Q43 VanDerWaalsContact O-CG 3.31Å; L39-Q43 WeakPolarHBondContact O-CG 3.45Å; L39-Q43 PolarHBondContact O-N 3.4Å; N40-Q43 PolarHBondContact O-N 2.89Å; Q43-S45 VanDerWaalsContact C-N 3.34Å; Q43-Y48 HydrophobicContact CG-CE1 3.96Å; Q43-Q49 WeakPolarHBondContact O-CG 3.44Å; Q43-Q49 PolarHBondContact O-NE2 3.48Å
44L90.4Very high91.4Very high135 Ų13597 Ų9771%0.70749%0.492SS*.THydrogen-bonded Turntrans-81.3-8174.6-68.7169000113.9N40 L42 P46N40-L44 WeakPolarHBondContact O-CG 3.42Å; N40-L44 PolarHBondContact O-N 3.39Å; L42-L44 PolarHBondContact O-N 2.81Å; L44-P46 WeakPolarHBondContact O-CD 3.17Å
45S91.9Very high91.3Very high44 Ų4494.1 Ų94.131%0.30849%0.485SS..  trans-78124.7-179.6-177.20000111.8R41 L42 Q43 S47 Y48 Q49R41-S45 PolarHBondContact O-N 2.93Å; L42-S45 VanDerWaalsContact O-CB 3.28Å; L42-S45 WeakPolarHBondContact O-CB 3.43Å; L42-S45 PolarHBondContact O-N 3.48Å; Q43-S45 VanDerWaalsContact C-N 3.34Å; S45-S47 PolarHBondContact O-N 2.92Å; S45-S47 VanDerWaalsContact O-N 3.17Å; S45-Y48 PolarHBondContact O-N 3.18Å; S45-Q49 PolarHBondContact O-N 2.9Å
46P92.9Very high91.4Very high99 Ų9995.5 Ų95.564%0.64350%0.495SS*.Hα-helixtrans-57.2-33.4179-27.535.6000113.8L44 Q49 A50L44-P46 WeakPolarHBondContact O-CD 3.17Å; P46-Q49 PolarHBondContact O-N 2.94Å; P46-A50 WeakPolarHBondContact O-CB 3.08Å; P46-A50 PolarHBondContact O-N 3.24Å
47S92.2Very high91.4Very high92 Ų9297.6 Ų97.664%0.64350%0.503SS*.Hα-helixtrans-65.9-38.8176.6177.70000112.2S45 Q51S45-S47 PolarHBondContact O-N 2.92Å; S45-S47 VanDerWaalsContact O-N 3.17Å; S47-Q51 PolarHBondContact O-N 3.35Å
48Y90Very high91.4Very high60 Ų6096 Ų9624%0.23550%0.498CS..Hα-helixtrans-74.5-37.4178-178.5-97.6000111.8L42 Q43 S45 Q51 Q52L42-Y48 WeakPolarHBondContact O-CB 3.34Å; L42-Y48 WeakPolarHBondContact O-CD1 3.42Å; Q43-Y48 HydrophobicContact CG-CE1 3.96Å; S45-Y48 PolarHBondContact O-N 3.18Å; Y48-Q51 PolarHBondContact O-N 3.14Å; Y48-Q52 HydrophobicContact CD1-CG 4.32Å; Y48-Q52 HydrophobicContact CE1-CG 3.98Å; Y48-Q52 PolarHBondContact O-N 3.12Å; Y48-Q52 PolarHBondContact OH-NE2 3.21Å; Y48-Q52 VanDerWaalsContact OH-NE2 3.16Å
49Q90.6Very high91.5Very high98 Ų9893.5 Ų93.546%0.45849%0.494SS..Hα-helixtrans-63-43.3172.3-67.4176.62.100111.5Q43 S45 P46 Q51 Q52 A53Q43-Q49 WeakPolarHBondContact O-CG 3.44Å; Q43-Q49 PolarHBondContact O-NE2 3.48Å; S45-Q49 PolarHBondContact O-N 2.9Å; P46-Q49 PolarHBondContact O-N 2.94Å; Q49-Q51 VanDerWaalsContact C-N 3.34Å; Q49-Q51 PolarHBondContact O-N 3.43Å; Q49-Q52 PolarHBondContact O-N 3.12Å; Q49-A53 PolarHBondContact O-N 3.49Å
50A92.2Very high91.7Very high63 Ų6391.7 Ų91.752%0.52149%0.492SS..Hα-helixtrans-62.8-38.1173.400000112.5P46 K54P46-A50 WeakPolarHBondContact O-CB 3.08Å; P46-A50 PolarHBondContact O-N 3.24Å; A50-K54 PolarHBondContact O-N 2.87Å; A50-K54 VanDerWaalsContact O-N 3.14Å
51Q91.4Very high91.7Very high101 Ų10192.9 Ų92.947%0.47250%0.498SS..Hα-helixtrans-63.4-46.3171.7-179.9179.1-17.700111.6S47 Y48 Q49 A53 K54 E55S47-Q51 PolarHBondContact O-N 3.35Å; Y48-Q51 PolarHBondContact O-N 3.14Å; Q49-Q51 VanDerWaalsContact C-N 3.34Å; Q49-Q51 PolarHBondContact O-N 3.43Å; Q51-A53 PolarHBondContact O-N 2.98Å; Q51-K54 PolarHBondContact O-N 2.97Å; Q51-E55 HydrophobicContact CG-CG 4.44Å; Q51-E55 PolarHBondContact NE2-OE1 3.19Å; Q51-E55 PolarHBondContact O-N 2.8Å
52Q89.9Confident91.7Very high79 Ų7990.2 Ų90.237%0.36949%0.492SS..Hα-helixtrans-62.1-41.9178-75.7-164-1300112.2Y48 Q49 K54 E55 L56Y48-Q52 HydrophobicContact CD1-CG 4.32Å; Y48-Q52 HydrophobicContact CE1-CG 3.98Å; Y48-Q52 PolarHBondContact O-N 3.12Å; Y48-Q52 PolarHBondContact OH-NE2 3.21Å; Y48-Q52 VanDerWaalsContact OH-NE2 3.16Å; Q49-Q52 PolarHBondContact O-N 3.12Å; Q52-K54 VanDerWaalsContact C-N 3.3Å; Q52-K54 PolarHBondContact O-N 3.26Å; Q52-E55 PolarHBondContact O-N 2.74Å; Q52-L56 WeakPolarHBondContact O-CB 3.48Å; Q52-L56 VanDerWaalsContact O-CG 3.32Å; Q52-L56 WeakPolarHBondContact O-CG 3.15Å; Q52-L56 PolarHBondContact O-N 2.9Å
53A92.2Very high91.9Very high60 Ų6088.6 Ų88.650%0.49649%0.489SS..Hα-helixtrans-58.1-43.417500000111.5Q49 Q51 L56 E57Q49-A53 PolarHBondContact O-N 3.49Å; Q51-A53 PolarHBondContact O-N 2.98Å; A53-L56 PolarHBondContact O-N 3.5Å; A53-E57 WeakPolarHBondContact O-CB 3.47Å; A53-E57 PolarHBondContact O-N 3.34Å
54K93.5Very high92.1Very high156 Ų15689.8 Ų89.868%0.67849%0.493SS*.Hα-helixtrans-69.9-36.5176.6-171173.7-178.2175.40113.5A50 Q51 Q52 L56 L58A50-K54 PolarHBondContact O-N 2.87Å; A50-K54 VanDerWaalsContact O-N 3.14Å; Q51-K54 PolarHBondContact O-N 2.97Å; Q52-K54 VanDerWaalsContact C-N 3.3Å; Q52-K54 PolarHBondContact O-N 3.26Å; K54-L56 VanDerWaalsContact C-N 3.32Å; K54-L58 WeakPolarHBondContact O-CB 3.41Å; K54-L58 PolarHBondContact O-N 3.39Å
55E91.6Very high92.2Very high87 Ų8788.5 Ų88.541%0.40748%0.483SS..Hα-helixtrans-63.8-37.3172-76.8-177-158.700111.1Q51 Q52 A59 K495Q51-E55 HydrophobicContact CG-CG 4.44Å; Q51-E55 PolarHBondContact NE2-OE1 3.19Å; Q51-E55 PolarHBondContact O-N 2.8Å; Q52-E55 PolarHBondContact O-N 2.74Å; E55-A59 WeakPolarHBondContact O-CB 3.4Å; E55-A59 PolarHBondContact O-N 3.25Å; E55-A59 VanDerWaalsContact O-N 3.08Å; E55-K495 IonicContact OE2-NZ 3.23Å
56L93.3Very high92Very high122 Ų12294.3 Ų94.364%0.63950%0.498SS*.Hα-helixtrans-72.8-41.6176.2-71.4169.6000113.1Q52 A53 K54 A59 A60Q52-L56 WeakPolarHBondContact O-CB 3.48Å; Q52-L56 VanDerWaalsContact O-CG 3.32Å; Q52-L56 WeakPolarHBondContact O-CG 3.15Å; Q52-L56 PolarHBondContact O-N 2.9Å; A53-L56 PolarHBondContact O-N 3.5Å; K54-L56 VanDerWaalsContact C-N 3.32Å; L56-A59 PolarHBondContact O-N 3.25Å; L56-A60 WeakPolarHBondContact O-CB 3.28Å; L56-A60 PolarHBondContact O-N 3.45Å
57E93.5Very high92Very high130 Ų13095.1 Ų95.161%0.60749%0.494SS*.Hα-helixtrans-60.6-46.3175.2-176.1-177.9-163.900111.1A53 A60 L61A53-E57 WeakPolarHBondContact O-CB 3.47Å; A53-E57 PolarHBondContact O-N 3.34Å; E57-A60 PolarHBondContact O-N 2.82Å; E57-L61 WeakPolarHBondContact O-CG 3.36Å; E57-L61 PolarHBondContact O-N 3.13Å
58L93.4Very high92.1Very high96 Ų9696.8 Ų96.850%0.50349%0.486SS..Hα-helixtrans-60.8-46.9175.5-178.162.5000111.4K54 A60 L61 E62K54-L58 WeakPolarHBondContact O-CB 3.41Å; K54-L58 PolarHBondContact O-N 3.39Å; L58-A60 PolarHBondContact O-N 3.03Å; L58-L61 PolarHBondContact O-N 3.13Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L58-E62 WeakPolarHBondContact O-CG 3.49Å; L58-E62 PolarHBondContact O-N 3.1Å
59A92.9Very high92.1Very high46 Ų4698 Ų9838%0.3850%0.496SS..Hα-helixtrans-61.9-30.8177.300000113.1E55 L56 A63E55-A59 WeakPolarHBondContact O-CB 3.4Å; E55-A59 PolarHBondContact O-N 3.25Å; E55-A59 VanDerWaalsContact O-N 3.08Å; L56-A59 PolarHBondContact O-N 3.25Å; A59-A63 WeakPolarHBondContact O-CB 3.43Å; A59-A63 PolarHBondContact O-N 3.18Å
60A94Very high92.1Very high50 Ų5098.9 Ų98.941%0.41350%0.5SS..Hα-helixtrans-73.6-35.2174.500000112.6L56 E57 L58 K64L56-A60 WeakPolarHBondContact O-CB 3.28Å; L56-A60 PolarHBondContact O-N 3.45Å; E57-A60 PolarHBondContact O-N 2.82Å; L58-A60 PolarHBondContact O-N 3.03Å; A60-K64 WeakPolarHBondContact O-CG 3.37Å; A60-K64 PolarHBondContact O-N 3.13Å; A60-K64 VanDerWaalsContact O-N 3.1Å
61L92.8Very high92.1Very high103 Ų103101.4 Ų101.454%0.53950%0.501SS..Hα-helixtrans-67.7-45171.5-68172.3000111.2E57 L58 A63 K64 E65E57-L61 WeakPolarHBondContact O-CG 3.36Å; E57-L61 PolarHBondContact O-N 3.13Å; L58-L61 PolarHBondContact O-N 3.13Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 2.99Å; L61-K64 PolarHBondContact O-N 3.01Å; L61-E65 PolarHBondContact O-N 3.47Å
62E90.3Very high92.2Very high103 Ų10399.8 Ų99.848%0.48150%0.495SS..Hα-helixtrans-61.8-34.4174.1-71176.4179.500112.3L58 E65 R66L58-E62 WeakPolarHBondContact O-CG 3.49Å; L58-E62 PolarHBondContact O-N 3.1Å; E62-E65 PolarHBondContact O-N 3.35Å; E62-R66 WeakPolarHBondContact O-CG 3.26Å; E62-R66 PolarHBondContact O-N 3.49Å
63A91.6Very high92.3Very high37 Ų37103.3 Ų103.331%0.30651%0.505SS..Hα-helixtrans-64.9-49.9172.500000111.8A59 L61 E65 R66 E67A59-A63 WeakPolarHBondContact O-CB 3.43Å; A59-A63 PolarHBondContact O-N 3.18Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 2.99Å; A63-E65 PolarHBondContact O-N 2.77Å; A63-R66 PolarHBondContact O-N 3.46Å; A63-R66 VanDerWaalsContact O-N 3.13Å; A63-E67 WeakPolarHBondContact O-CB 3.28Å; A63-E67 PolarHBondContact O-N 3.47Å
64K94.2Very high92.2Very high125 Ų125104.5 Ų104.554%0.54350%0.5SS..Hα-helixtrans-64.4-21.6175.8-71.7179178.2-177.30113.5A60 L61 R68A60-K64 WeakPolarHBondContact O-CG 3.37Å; A60-K64 PolarHBondContact O-N 3.13Å; A60-K64 VanDerWaalsContact O-N 3.1Å; L61-K64 PolarHBondContact O-N 3.01Å; K64-R68 PolarHBondContact O-N 3.39Å; K64-R68 PolarHBondContact O-NE 3.23Å; K64-R68 PolarHBondContact O-NH2 3.4Å
65E91.4Very high92.1Very high108 Ų108103.2 Ų103.251%0.50550%0.497SS..Hα-helixtrans-81.5-37.8171.6-176.7161-157.700112.4L61 E62 A63 R68 N69L61-E65 PolarHBondContact O-N 3.47Å; E62-E65 PolarHBondContact O-N 3.35Å; A63-E65 PolarHBondContact O-N 2.77Å; E65-R68 VanDerWaalsContact CA-NH2 3.3Å; E65-N69 WeakPolarHBondContact CG-ND2 3.27Å; E65-N69 WeakPolarHBondContact O-CB 3.28Å; E65-N69 PolarHBondContact O-N 3.23Å; E65-N69 PolarHBondContact O-ND2 3.1Å
66R89Confident92.1Very high166 Ų166106.9 Ų106.963%0.62651%0.507SS*.Hα-helixtrans-62.7-46.2171.3-74.4-178.1-65.2127.3-0.9111.7E62 A63 R68 N69 E70E62-R66 WeakPolarHBondContact O-CG 3.26Å; E62-R66 PolarHBondContact O-N 3.49Å; A63-R66 PolarHBondContact O-N 3.46Å; A63-R66 VanDerWaalsContact O-N 3.13Å; R66-R68 PolarHBondContact O-N 3Å; R66-N69 CarbonylContact O-C 3.51Å; R66-N69 PolarHBondContact O-N 3.43Å; R66-N69 VanDerWaalsContact O-N 3.13Å; R66-E70 WeakPolarHBondContact O-CB 3.44Å; R66-E70 PolarHBondContact O-N 3.49Å
67E92.1Very high91.8Very high116 Ų116104.4 Ų104.454%0.54249%0.492SS..Hα-helixtrans-51.5-56.1175.5-175.8173.9-138.400111.8A63 N69 E70 E71A63-E67 WeakPolarHBondContact O-CB 3.28Å; A63-E67 PolarHBondContact O-N 3.47Å; E67-N69 VanDerWaalsContact C-N 3.34Å; E67-N69 PolarHBondContact O-N 3.05Å; E67-E70 WeakPolarHBondContact O-CB 3.35Å; E67-E70 PolarHBondContact O-N 3.21Å; E67-E70 VanDerWaalsContact O-N 3.09Å; E67-E71 WeakPolarHBondContact O-CG 3.39Å; E67-E71 PolarHBondContact O-N 3.4Å
68R93.5Very high91.8Very high127 Ų127104.6 Ų104.648%0.47949%0.487SS..Hα-helixtrans-61.8-36.4176.1-74.9174.9-70.1133.41.3113.8K64 E65 R66 E70 E71 I72K64-R68 PolarHBondContact O-N 3.39Å; K64-R68 PolarHBondContact O-NE 3.23Å; K64-R68 PolarHBondContact O-NH2 3.4Å; E65-R68 VanDerWaalsContact CA-NH2 3.3Å; R66-R68 PolarHBondContact O-N 3Å; R68-E70 VanDerWaalsContact C-N 3.3Å; R68-E71 WeakPolarHBondContact CA-OE2 3.45Å; R68-I72 WeakPolarHBondContact O-CB 3.21Å; R68-I72 WeakPolarHBondContact O-CD1 3.14Å; R68-I72 WeakPolarHBondContact O-CG1 3.35Å; R68-I72 PolarHBondContact O-N 3.28Å; R68-I72 VanDerWaalsContact O-N 3.09Å
69N91.1Very high91.7Very high85 Ų85103.4 Ų103.446%0.45548%0.479SS..Hα-helixtrans-69.7-30.3176.1-80-55.2000112.1E65 R66 E67 W73E65-N69 WeakPolarHBondContact CG-ND2 3.27Å; E65-N69 WeakPolarHBondContact O-CB 3.28Å; E65-N69 PolarHBondContact O-N 3.23Å; E65-N69 PolarHBondContact O-ND2 3.1Å; R66-N69 CarbonylContact O-C 3.51Å; R66-N69 PolarHBondContact O-N 3.43Å; R66-N69 VanDerWaalsContact O-N 3.13Å; E67-N69 VanDerWaalsContact C-N 3.34Å; E67-N69 PolarHBondContact O-N 3.05Å; N69-W73 WeakPolarHBondContact O-CB 3.31Å; N69-W73 PolarHBondContact O-N 3.45Å
70E91Very high91.6Very high116 Ų116103.4 Ų103.454%0.54248%0.48SS..Hα-helixtrans-72.6-45.3174.3-167.3178.4155.200111.4R66 E67 R68 I72 W73 Q74R66-E70 WeakPolarHBondContact O-CB 3.44Å; R66-E70 PolarHBondContact O-N 3.49Å; E67-E70 WeakPolarHBondContact O-CB 3.35Å; E67-E70 PolarHBondContact O-N 3.21Å; E67-E70 VanDerWaalsContact O-N 3.09Å; R68-E70 VanDerWaalsContact C-N 3.3Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 3.23Å; E70-W73 CarbonylContact O-C 3.57Å; E70-W73 WeakPolarHBondContact O-CA 3.44Å; E70-W73 WeakPolarHBondContact O-CB 3.37Å; E70-W73 PolarHBondContact O-N 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.47Å; E70-Q74 PolarHBondContact O-N 2.78Å
71E92.6Very high91.4Very high116 Ų116106 Ų10654%0.54248%0.483SS..Hα-helixtrans-53.2-49.3171.2-68.2176.7137.500111.5E67 R68 W73 Q74 E75E67-E71 WeakPolarHBondContact O-CG 3.39Å; E67-E71 PolarHBondContact O-N 3.4Å; R68-E71 WeakPolarHBondContact CA-OE2 3.45Å; E71-W73 VanDerWaalsContact C-N 3.29Å; E71-W73 PolarHBondContact O-N 2.89Å; E71-Q74 PolarHBondContact O-N 3.34Å; E71-E75 PolarHBondContact O-N 3Å
72I92.5Very high91.5Very high68 Ų68108 Ų10835%0.34948%0.483SS..Hα-helixtrans-66-30.4178.3-69.6167.6000111.6R68 E70 R76R68-I72 WeakPolarHBondContact O-CB 3.21Å; R68-I72 WeakPolarHBondContact O-CD1 3.14Å; R68-I72 WeakPolarHBondContact O-CG1 3.35Å; R68-I72 PolarHBondContact O-N 3.28Å; R68-I72 VanDerWaalsContact O-N 3.09Å; E70-I72 VanDerWaalsContact C-N 3.32Å; E70-I72 PolarHBondContact O-N 3.23Å; I72-R76 WeakPolarHBondContact O-CD 3.46Å; I72-R76 VanDerWaalsContact O-CG 3.24Å; I72-R76 WeakPolarHBondContact O-CG 3Å; I72-R76 PolarHBondContact O-N 2.9Å
73W92.6Very high91.6Very high152 Ų152107.9 Ų107.958%0.57648%0.483SS*.Hα-helixtrans-71.7-46.8173.3179.487.9000111.2N69 E70 E71 E75 R76 E77N69-W73 WeakPolarHBondContact O-CB 3.31Å; N69-W73 PolarHBondContact O-N 3.45Å; E70-W73 CarbonylContact O-C 3.57Å; E70-W73 WeakPolarHBondContact O-CA 3.44Å; E70-W73 WeakPolarHBondContact O-CB 3.37Å; E70-W73 PolarHBondContact O-N 3.31Å; E71-W73 VanDerWaalsContact C-N 3.29Å; E71-W73 PolarHBondContact O-N 2.89Å; W73-E75 VanDerWaalsContact C-N 3.29Å; W73-E75 PolarHBondContact O-N 3.35Å; W73-R76 PolarHBondContact O-N 3.24Å; W73-R76 VanDerWaalsContact O-N 3.15Å; W73-E77 HydrophobicContact CH2-CG 4.23Å; W73-E77 HydrophobicContact CZ2-CG 4.44Å; W73-E77 WeakPolarHBondContact O-CB 3.25Å; W73-E77 PolarHBondContact O-N 2.95Å
74Q90Very high91.6Very high85 Ų85114.3 Ų114.340%0.39750%0.499SS..Hα-helixtrans-60.4-36.2176.5-68179.820.900112.3E70 E71 R78E70-Q74 WeakPolarHBondContact O-CG 3.47Å; E70-Q74 PolarHBondContact O-N 2.78Å; E71-Q74 PolarHBondContact O-N 3.34Å; Q74-R78 VanDerWaalsContact O-CB 3.32Å; Q74-R78 WeakPolarHBondContact O-CB 3.32Å; Q74-R78 PolarHBondContact O-N 3.4Å
75E91.1Very high91.6Very high129 Ų129112.6 Ų112.660%0.60349%0.493SS*.Hα-helixtrans-66.7-43.7173.9-173.6176.4-130.300112.4E71 W73 E77 R78 E79E71-E75 PolarHBondContact O-N 3Å; W73-E75 VanDerWaalsContact C-N 3.29Å; W73-E75 PolarHBondContact O-N 3.35Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 3.36Å; E75-R78 PolarHBondContact O-N 2.9Å; E75-E79 PolarHBondContact O-N 3.37Å
76R90.3Very high91.6Very high164 Ų164111 Ų11162%0.61949%0.486SS*.Hα-helixtrans-63.9-38.5175.7-71.8167-175.5154.43.8112.3I72 W73 E79 A80I72-R76 WeakPolarHBondContact O-CD 3.46Å; I72-R76 VanDerWaalsContact O-CG 3.24Å; I72-R76 WeakPolarHBondContact O-CG 3Å; I72-R76 PolarHBondContact O-N 2.9Å; W73-R76 PolarHBondContact O-N 3.24Å; W73-R76 VanDerWaalsContact O-N 3.15Å; R76-E79 PolarHBondContact O-N 3.15Å; R76-A80 WeakPolarHBondContact O-CB 3.32Å; R76-A80 PolarHBondContact O-N 2.74Å
77E88Confident91.8Very high71 Ų71107.2 Ų107.233%0.33248%0.478SS..Hα-helixtrans-66.4-44.5177.8-175.452.8-144.300110.7W73 E75 E79 A80 Q81W73-E77 HydrophobicContact CH2-CG 4.23Å; W73-E77 HydrophobicContact CZ2-CG 4.44Å; W73-E77 WeakPolarHBondContact O-CB 3.25Å; W73-E77 PolarHBondContact O-N 2.95Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 3.36Å; E77-E79 VanDerWaalsContact C-N 3.28Å; E77-E79 PolarHBondContact O-N 3Å; E77-A80 PolarHBondContact O-N 3.2Å; E77-A80 VanDerWaalsContact O-N 3.16Å; E77-Q81 VanDerWaalsContact O-CG 3.32Å; E77-Q81 WeakPolarHBondContact O-CG 3.19Å; E77-Q81 PolarHBondContact O-N 3.35Å; E77-Q81 PolarHBondContact OE1-NE2 2.82Å
78R93.8Very high91.8Very high133 Ų133104.7 Ų104.750%0.50247%0.468SS..Hα-helixtrans-61.8-33.5173.3-165-176-55.7112.75.5113Q74 E75 R82Q74-R78 VanDerWaalsContact O-CB 3.32Å; Q74-R78 WeakPolarHBondContact O-CB 3.32Å; Q74-R78 PolarHBondContact O-N 3.4Å; E75-R78 PolarHBondContact O-N 2.9Å; R78-R82 WeakPolarHBondContact O-CG 3.22Å; R78-R82 PolarHBondContact O-N 3.2Å
79E92.1Very high91.9Very high71 Ų71104.1 Ų104.133%0.33247%0.466SS..Hα-helixtrans-70.6-45.5171.5-179.958.3-16100112E75 R76 E77 Q81 R82 Q83E75-E79 PolarHBondContact O-N 3.37Å; R76-E79 PolarHBondContact O-N 3.15Å; E77-E79 VanDerWaalsContact C-N 3.28Å; E77-E79 PolarHBondContact O-N 3Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 3.08Å; E79-R82 PolarHBondContact O-N 2.85Å; E79-R82 IonicContact OE2-CZ 2.8Å; E79-R82 VanDerWaalsContact OE2-CZ 3.29Å; E79-R82 IonicContact OE2-NE 2.85Å; E79-R82 PolarHBondContact OE2-NE 3.35Å; E79-R82 IonicContact OE2-NH2 3.26Å; E79-R82 PolarHBondContact OE2-NH2 3Å; E79-Q83 WeakPolarHBondContact O-CG 3.39Å; E79-Q83 PolarHBondContact O-N 3.44Å; E79-Q83 PolarHBondContact OE1-NE2 3.4Å
80A90Very high92Very high47 Ų47104.5 Ų104.539%0.38847%0.465SS..Hα-helixtrans-60.6-39.4178.300000112.2R76 E77 Q83 W84R76-A80 WeakPolarHBondContact O-CB 3.32Å; R76-A80 PolarHBondContact O-N 2.74Å; E77-A80 PolarHBondContact O-N 3.2Å; E77-A80 VanDerWaalsContact O-N 3.16Å; A80-Q83 PolarHBondContact O-N 3.21Å; A80-W84 WeakPolarHBondContact O-CB 3.43Å; A80-W84 PolarHBondContact O-N 3.43Å
81Q90.5Very high91.9Very high103 Ų103105.7 Ų105.748%0.48147%0.468SS..Hα-helixtrans-64.5-47.5175.8-70.9171.511.300111.8E77 E79 Q83 W84 E85E77-Q81 VanDerWaalsContact O-CG 3.32Å; E77-Q81 WeakPolarHBondContact O-CG 3.19Å; E77-Q81 PolarHBondContact O-N 3.35Å; E77-Q81 PolarHBondContact OE1-NE2 2.82Å; E79-Q81 VanDerWaalsContact C-N 3.31Å; E79-Q81 PolarHBondContact O-N 3.08Å; Q81-Q83 VanDerWaalsContact C-N 3.31Å; Q81-Q83 PolarHBondContact O-N 3.09Å; Q81-W84 WeakPolarHBondContact O-CB 3.45Å; Q81-W84 PolarHBondContact O-N 2.57Å; Q81-W84 VanDerWaalsContact O-N 3.12Å; Q81-E85 PolarHBondContact O-N 2.79Å
82R93.8Very high92Very high145 Ų145104.2 Ų104.255%0.54746%0.464SS..Hα-helixtrans-59.1-41174.2-72.6-172.5-62.7174-3.8112.6R78 E79 E86R78-R82 WeakPolarHBondContact O-CG 3.22Å; R78-R82 PolarHBondContact O-N 3.2Å; E79-R82 PolarHBondContact O-N 2.85Å; E79-R82 IonicContact OE2-CZ 2.8Å; E79-R82 VanDerWaalsContact OE2-CZ 3.29Å; E79-R82 IonicContact OE2-NE 2.85Å; E79-R82 PolarHBondContact OE2-NE 3.35Å; E79-R82 IonicContact OE2-NH2 3.26Å; E79-R82 PolarHBondContact OE2-NH2 3Å; R82-E86 WeakPolarHBondContact O-CB 3.32Å; R82-E86 PolarHBondContact O-N 2.86Å; R82-E86 VanDerWaalsContact O-N 3.12Å
83Q91.5Very high92.1Very high101 Ų101105.9 Ų105.947%0.47247%0.472SS..Hα-helixtrans-67.3-38.6175.1-70.1-177.517.100111.9E79 A80 Q81 E86 N87E79-Q83 WeakPolarHBondContact O-CG 3.39Å; E79-Q83 PolarHBondContact O-N 3.44Å; E79-Q83 PolarHBondContact OE1-NE2 3.4Å; A80-Q83 PolarHBondContact O-N 3.21Å; Q81-Q83 VanDerWaalsContact C-N 3.31Å; Q81-Q83 PolarHBondContact O-N 3.09Å; Q83-E86 PolarHBondContact O-N 2.98Å; Q83-N87 WeakPolarHBondContact O-CB 3.39Å; Q83-N87 PolarHBondContact O-N 3.08Å; Q83-N87 PolarHBondContact O-ND2 3.46Å
84W93.6Very high92.1Very high172 Ų172102.9 Ų102.965%0.65247%0.467SS*.Hα-helixtrans-63.4-47.1176.2178.692.1000111.5A80 Q81 E86 N87 N88A80-W84 WeakPolarHBondContact O-CB 3.43Å; A80-W84 PolarHBondContact O-N 3.43Å; Q81-W84 WeakPolarHBondContact O-CB 3.45Å; Q81-W84 PolarHBondContact O-N 2.57Å; Q81-W84 VanDerWaalsContact O-N 3.12Å; W84-E86 VanDerWaalsContact C-N 3.34Å; W84-E86 PolarHBondContact O-N 3.36Å; W84-N87 PolarHBondContact O-N 3Å; W84-N88 WeakPolarHBondContact O-CB 3.22Å; W84-N88 PolarHBondContact O-N 3.08Å
85E92.7Very high92.3Very high90 Ų90104.6 Ų104.642%0.42147%0.473SS..Hα-helixtrans-56.6-47.3175.6-73-179.1-159.600111.9Q81 N88 R89Q81-E85 PolarHBondContact O-N 2.79Å; E85-N88 CarbonylContact O-C 3.59Å; E85-N88 WeakPolarHBondContact O-CA 3.35Å; E85-N88 WeakPolarHBondContact O-CB 3.41Å; E85-N88 PolarHBondContact O-N 3.35Å; E85-N88 VanDerWaalsContact O-N 3.09Å; E85-R89 WeakPolarHBondContact O-CG 3.38Å; E85-R89 PolarHBondContact O-N 3.18Å; E85-R89 IonicContact OE2-CZ 2.78Å; E85-R89 IonicContact OE2-NH1 3.83Å; E85-R89 PolarHBondContact OE2-NH1 3.17Å; E85-R89 IonicContact OE2-NH2 3.76Å
86E92.9Very high92.4Very high75 Ų75103.5 Ų103.535%0.3547%0.468SS..Hα-helixtrans-66.2-43.6-177.3-176.151.6-146.800111.6R82 Q83 W84 N88 R89 Q90R82-E86 WeakPolarHBondContact O-CB 3.32Å; R82-E86 PolarHBondContact O-N 2.86Å; R82-E86 VanDerWaalsContact O-N 3.12Å; Q83-E86 PolarHBondContact O-N 2.98Å; W84-E86 VanDerWaalsContact C-N 3.34Å; W84-E86 PolarHBondContact O-N 3.36Å; E86-N88 PolarHBondContact O-N 2.87Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 IonicContact OE2-CZ 2.61Å; E86-R89 VanDerWaalsContact OE2-CZ 3.26Å; E86-R89 IonicContact OE2-NE 2.6Å; E86-R89 PolarHBondContact OE2-NE 3.11Å; E86-R89 IonicContact OE2-NH2 2.61Å; E86-R89 PolarHBondContact OE2-NH2 2.85Å; E86-Q90 WeakPolarHBondContact O-CG 3.2Å; E86-Q90 PolarHBondContact O-N 3.08Å; E86-Q90 PolarHBondContact OE1-NE2 3.04Å
87N91.4Very high92.6Very high86 Ų86103.2 Ų103.246%0.4647%0.467SS..Hα-helixtrans-61.1-32.8171.2-78.7-69.5000112.2Q83 W84 K91Q83-N87 WeakPolarHBondContact O-CB 3.39Å; Q83-N87 PolarHBondContact O-N 3.08Å; Q83-N87 PolarHBondContact O-ND2 3.46Å; W84-N87 PolarHBondContact O-N 3Å; N87-K91 VanDerWaalsContact O-CG 3.26Å; N87-K91 WeakPolarHBondContact O-CG 3.44Å; N87-K91 PolarHBondContact O-N 2.79Å
88N92.4Very high92.7Very high62 Ų62105.2 Ų105.233%0.33248%0.477SS..Hα-helixtrans-73.5-43.8177.3-161.836.6000111.8W84 E85 E86 Q90 K91 I92W84-N88 WeakPolarHBondContact O-CB 3.22Å; W84-N88 PolarHBondContact O-N 3.08Å; E85-N88 CarbonylContact O-C 3.59Å; E85-N88 WeakPolarHBondContact O-CA 3.35Å; E85-N88 WeakPolarHBondContact O-CB 3.41Å; E85-N88 PolarHBondContact O-N 3.35Å; E85-N88 VanDerWaalsContact O-N 3.09Å; E86-N88 PolarHBondContact O-N 2.87Å; N88-Q90 VanDerWaalsContact C-N 3.32Å; N88-Q90 PolarHBondContact O-N 3.08Å; N88-K91 PolarHBondContact O-N 3Å; N88-I92 WeakPolarHBondContact O-CG1 3.48Å; N88-I92 PolarHBondContact O-N 2.87Å
89R95.9Very high92.7Very high115 Ų115102.5 Ų102.543%0.43447%0.469SS..Hα-helixtrans-54.5-47.6171.2-73.3-173.7-72.8-97.50.8111E85 E86 K91 I92 L93E85-R89 WeakPolarHBondContact O-CG 3.38Å; E85-R89 PolarHBondContact O-N 3.18Å; E85-R89 IonicContact OE2-CZ 2.78Å; E85-R89 IonicContact OE2-NH1 3.83Å; E85-R89 PolarHBondContact OE2-NH1 3.17Å; E85-R89 IonicContact OE2-NH2 3.76Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 IonicContact OE2-CZ 2.61Å; E86-R89 VanDerWaalsContact OE2-CZ 3.26Å; E86-R89 IonicContact OE2-NE 2.6Å; E86-R89 PolarHBondContact OE2-NE 3.11Å; E86-R89 IonicContact OE2-NH2 2.61Å; E86-R89 PolarHBondContact OE2-NH2 2.85Å; R89-K91 PolarHBondContact O-N 3.01Å; R89-I92 PolarHBondContact O-N 2.77Å; R89-L93 WeakPolarHBondContact O-CG 3.18Å; R89-L93 PolarHBondContact O-N 2.85Å
90Q93.9Very high92.8Very high94 Ų94103.8 Ų103.844%0.43948%0.475SS..Hα-helixtrans-64.4-39.6178.5-69.6177.523.200112.9E86 N88 L93 L94E86-Q90 WeakPolarHBondContact O-CG 3.2Å; E86-Q90 PolarHBondContact O-N 3.08Å; E86-Q90 PolarHBondContact OE1-NE2 3.04Å; N88-Q90 VanDerWaalsContact C-N 3.32Å; N88-Q90 PolarHBondContact O-N 3.08Å; Q90-L93 PolarHBondContact O-N 2.88Å; Q90-L94 WeakPolarHBondContact O-CB 3.08Å; Q90-L94 WeakPolarHBondContact O-CG 3.44Å; Q90-L94 PolarHBondContact O-N 3.46Å
91K88.5Confident93Very high140 Ų140104.7 Ų104.761%0.60948%0.477SS*.Hα-helixtrans-62.3-42173.6-76.3171.1-175.3176.40112.8N87 N88 R89 L94 K95N87-K91 VanDerWaalsContact O-CG 3.26Å; N87-K91 WeakPolarHBondContact O-CG 3.44Å; N87-K91 PolarHBondContact O-N 2.79Å; N88-K91 PolarHBondContact O-N 3Å; R89-K91 PolarHBondContact O-N 3.01Å; K91-L94 PolarHBondContact O-N 3.17Å; K91-K95 WeakPolarHBondContact O-CB 3.36Å; K91-K95 PolarHBondContact O-N 2.93Å
92I93.7Very high93.1Very high86 Ų86106.1 Ų106.144%0.44148%0.483SS..Hα-helixtrans-63.6-45.3178.1-67.6164000110.2N88 R89 L94 K95 Q96N88-I92 WeakPolarHBondContact O-CG1 3.48Å; N88-I92 PolarHBondContact O-N 2.87Å; R89-I92 PolarHBondContact O-N 2.77Å; I92-L94 PolarHBondContact O-N 2.99Å; I92-K95 PolarHBondContact O-N 2.78Å; I92-Q96 WeakPolarHBondContact O-CG 3.36Å; I92-Q96 PolarHBondContact O-N 2.86Å
93L95.1Very high93.2Very high102 Ų102108.1 Ų108.153%0.53449%0.491SS..Hα-helixtrans-64.1-36.8176.7-69.6169.9000113.1R89 Q90 R97R89-L93 WeakPolarHBondContact O-CG 3.18Å; R89-L93 PolarHBondContact O-N 2.85Å; Q90-L93 PolarHBondContact O-N 2.88Å; L93-R97 PolarHBondContact O-N 3.48Å; L93-R97 VanDerWaalsContact O-N 3.17Å
94L93.1Very high93.3Very high89 Ų89108.7 Ų108.747%0.46649%0.492SS..Hα-helixtrans-65.6-47.5173.5-75169.7000111.4Q90 K91 I92 Q96 R97 E98Q90-L94 WeakPolarHBondContact O-CB 3.08Å; Q90-L94 WeakPolarHBondContact O-CG 3.44Å; Q90-L94 PolarHBondContact O-N 3.46Å; K91-L94 PolarHBondContact O-N 3.17Å; I92-L94 PolarHBondContact O-N 2.99Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 2.86Å; L94-R97 WeakPolarHBondContact O-CB 3.43Å; L94-R97 PolarHBondContact O-N 3.16Å; L94-R97 VanDerWaalsContact O-N 3.11Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.88Å
95K93.3Very high93.2Very high121 Ų121106 Ų10653%0.52649%0.489SS..Hα-helixtrans-60.2-41.5177.6-173.7174.3-175-83.70112.3K91 I92 R97 E98 E99K91-K95 WeakPolarHBondContact O-CB 3.36Å; K91-K95 PolarHBondContact O-N 2.93Å; I92-K95 PolarHBondContact O-N 2.78Å; K95-R97 VanDerWaalsContact C-N 3.33Å; K95-R97 PolarHBondContact O-N 3.28Å; K95-E98 PolarHBondContact O-N 3.16Å; K95-E99 WeakPolarHBondContact CE-OE1 3.31Å; K95-E99 IonicContact NZ-OE1 3.36Å; K95-E99 PolarHBondContact NZ-OE1 2.81Å; K95-E99 WeakPolarHBondContact O-CG 3.06Å; K95-E99 PolarHBondContact O-N 2.78Å
96Q94.8Very high93.2Very high107 Ų107107.7 Ų107.750%0.550%0.495SS..Hα-helixtrans-60.8-40.7174.6-75.4174.6-16.400112.2I92 L94 E100I92-Q96 WeakPolarHBondContact O-CG 3.36Å; I92-Q96 PolarHBondContact O-N 2.86Å; L94-Q96 VanDerWaalsContact C-N 3.34Å; L94-Q96 PolarHBondContact O-N 2.86Å; Q96-E100 WeakPolarHBondContact O-CB 3.42Å; Q96-E100 PolarHBondContact O-N 2.98Å
97R93.7Very high93.2Very high157 Ų157106.3 Ų106.359%0.59250%0.496SS*.Hα-helixtrans-66.5-41.6175.2-172.6-176.1-61.9158.83.3112L93 L94 K95 E100 T101L93-R97 PolarHBondContact O-N 3.48Å; L93-R97 VanDerWaalsContact O-N 3.17Å; L94-R97 WeakPolarHBondContact O-CB 3.43Å; L94-R97 PolarHBondContact O-N 3.16Å; L94-R97 VanDerWaalsContact O-N 3.11Å; K95-R97 VanDerWaalsContact C-N 3.33Å; K95-R97 PolarHBondContact O-N 3.28Å; R97-E100 PolarHBondContact O-N 2.98Å; R97-T101 WeakPolarHBondContact O-CG2 3.39Å; R97-T101 PolarHBondContact O-N 2.96Å; R97-T101 PolarHBondContact O-OG1 2.79Å
98E90.9Very high93.3Very high114 Ų114107.3 Ų107.353%0.53350%0.498SS..Hα-helixtrans-60-49.3175.2-72.2168.8179.600110.8L94 K95 E100 T101 Q102L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.88Å; K95-E98 PolarHBondContact O-N 3.16Å; E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 2.87Å; E98-T101 WeakPolarHBondContact CA-OG1 3.15Å; E98-T101 PolarHBondContact O-N 3.24Å; E98-T101 PolarHBondContact O-OG1 2.95Å; E98-Q102 WeakPolarHBondContact O-CG 3.2Å; E98-Q102 PolarHBondContact O-N 2.7Å
99E93Very high93.2Very high75 Ų75111.9 Ų111.935%0.3551%0.511SS..Hα-helixtrans-58.5-40.3174.4-72.7173.8-165.400112.7K95 Q102 R103K95-E99 WeakPolarHBondContact CE-OE1 3.31Å; K95-E99 IonicContact NZ-OE1 3.36Å; K95-E99 PolarHBondContact NZ-OE1 2.81Å; K95-E99 WeakPolarHBondContact O-CG 3.06Å; K95-E99 PolarHBondContact O-N 2.78Å; E99-Q102 PolarHBondContact O-N 3.05Å; E99-R103 WeakPolarHBondContact O-CG 3.41Å; E99-R103 PolarHBondContact O-N 2.82Å
100E94.6Very high92.9Very high98 Ų98110.2 Ų110.246%0.45851%0.508SS..Hα-helixtrans-64.7-43.3175-162.5-160.7157.500111.9Q96 R97 E98 R103 K104Q96-E100 WeakPolarHBondContact O-CB 3.42Å; Q96-E100 PolarHBondContact O-N 2.98Å; R97-E100 PolarHBondContact O-N 2.98Å; E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 2.87Å; E100-R103 PolarHBondContact O-N 2.92Å; E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 2.58Å; E100-K104 VanDerWaalsContact O-N 3.1Å; E100-K104 WeakPolarHBondContact OE1-CE 3.49Å; E100-K104 IonicContact OE1-NZ 2.68Å; E100-K104 PolarHBondContact OE1-NZ 2.8Å
101T93.4Very high92.6Very high67 Ų67109.2 Ų109.241%0.41151%0.511SS..Hα-helixtrans-65.8-39.3176.856.70000112.4R97 E98 R103 K104 I105R97-T101 WeakPolarHBondContact O-CG2 3.39Å; R97-T101 PolarHBondContact O-N 2.96Å; R97-T101 PolarHBondContact O-OG1 2.79Å; E98-T101 WeakPolarHBondContact CA-OG1 3.15Å; E98-T101 PolarHBondContact O-N 3.24Å; E98-T101 PolarHBondContact O-OG1 2.95Å; T101-R103 VanDerWaalsContact C-N 3.35Å; T101-R103 PolarHBondContact O-N 3.37Å; T101-K104 PolarHBondContact O-N 3.47Å; T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.5Å; T101-I105 PolarHBondContact O-N 2.99Å
102Q92.8Very high92.5Very high133 Ų133108.2 Ų108.262%0.62151%0.507SS*.Hα-helixtrans-63.2-40174.7-72-178.78.800111.8E98 E99 K104 I105 K106E98-Q102 WeakPolarHBondContact O-CG 3.2Å; E98-Q102 PolarHBondContact O-N 2.7Å; E99-Q102 PolarHBondContact O-N 3.05Å; Q102-K104 PolarHBondContact O-N 2.96Å; Q102-I105 PolarHBondContact O-N 2.78Å; Q102-K106 WeakPolarHBondContact O-CB 3.43Å; Q102-K106 PolarHBondContact O-N 2.83Å
103R95.2Very high92Very high186 Ų186107.8 Ų107.870%0.70250%0.503SS*.Hα-helixtrans-60.8-42.8174.1-74.1174.1-176-163.82.7112.2E99 E100 T101 K106 A107E99-R103 WeakPolarHBondContact O-CG 3.41Å; E99-R103 PolarHBondContact O-N 2.82Å; E100-R103 PolarHBondContact O-N 2.92Å; T101-R103 VanDerWaalsContact C-N 3.35Å; T101-R103 PolarHBondContact O-N 3.37Å; R103-K106 PolarHBondContact O-N 2.93Å; R103-A107 WeakPolarHBondContact O-CB 3.37Å; R103-A107 PolarHBondContact O-N 3Å
104K95Very high91.4Very high114 Ų114107.7 Ų107.750%0.49650%0.502SS..Hα-helixtrans-63.9-48.6176.8-69.9173.4-174.3172.60111.8E100 T101 Q102 K106 A107 E108E100-K104 WeakPolarHBondContact O-CG 3.46Å; E100-K104 PolarHBondContact O-N 2.58Å; E100-K104 VanDerWaalsContact O-N 3.1Å; E100-K104 WeakPolarHBondContact OE1-CE 3.49Å; E100-K104 IonicContact OE1-NZ 2.68Å; E100-K104 PolarHBondContact OE1-NZ 2.8Å; T101-K104 PolarHBondContact O-N 3.47Å; Q102-K104 PolarHBondContact O-N 2.96Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.19Å; K104-A107 PolarHBondContact O-N 3.28Å; K104-E108 PolarHBondContact O-N 3.26Å
105I92Very high91Very high115 Ų115109.8 Ų109.859%0.5951%0.51SS*.Hα-helixtrans-58.7-41.6177.3-67.1163.8000111.2T101 Q102 E108 W109T101-I105 VanDerWaalsContact O-CG1 3.31Å; T101-I105 WeakPolarHBondContact O-CG1 3.5Å; T101-I105 PolarHBondContact O-N 2.99Å; Q102-I105 PolarHBondContact O-N 2.78Å; I105-E108 PolarHBondContact O-N 3.47Å; I105-W109 WeakPolarHBondContact O-CB 3.24Å; I105-W109 PolarHBondContact O-N 2.83Å
106K92.4Very high90.2Very high125 Ų125106.9 Ų106.954%0.54350%0.504SS..Hα-helixtrans-64.3-45.4176.9-170.9171.8-175-74.90112.1Q102 R103 K104 E108 W109 E110Q102-K106 WeakPolarHBondContact O-CB 3.43Å; Q102-K106 PolarHBondContact O-N 2.83Å; R103-K106 PolarHBondContact O-N 2.93Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 3.19Å; K106-E108 PolarHBondContact O-N 3.07Å; K106-W109 PolarHBondContact O-N 3.37Å; K106-E110 IonicContact NZ-OE1 2.81Å; K106-E110 PolarHBondContact NZ-OE1 2.83Å; K106-E110 WeakPolarHBondContact O-CB 3.47Å; K106-E110 WeakPolarHBondContact O-CG 3.32Å; K106-E110 PolarHBondContact O-N 2.93Å
107A92.8Very high89.3Confident47 Ų47108.9 Ų108.939%0.38851%0.512SS..Hα-helixtrans-65.1-37.217800000112.7R103 K104 S111R103-A107 WeakPolarHBondContact O-CB 3.37Å; R103-A107 PolarHBondContact O-N 3Å; K104-A107 PolarHBondContact O-N 3.28Å; A107-S111 WeakPolarHBondContact O-CB 3.39Å; A107-S111 PolarHBondContact O-N 2.97Å; A107-S111 PolarHBondContact O-OG 3.02Å
108E92.6Very high88.2Confident107 Ų107109.6 Ų109.650%0.552%0.519SS..Hα-helixtrans-64.4-41.2172.1-77.1-174.4-146.400112.4K104 I105 K106 S111 K112K104-E108 PolarHBondContact O-N 3.26Å; I105-E108 PolarHBondContact O-N 3.47Å; K106-E108 PolarHBondContact O-N 3.07Å; E108-S111 PolarHBondContact O-N 3.22Å; E108-K112 WeakPolarHBondContact O-CD 3.26Å; E108-K112 WeakPolarHBondContact O-CG 3.41Å; E108-K112 PolarHBondContact O-N 3.05Å; E108-K112 IonicContact OE2-NZ 3.07Å; E108-K112 PolarHBondContact OE2-NZ 2.86Å
109W90.9Very high86.7Confident158 Ų158112.9 Ų112.960%0.59853%0.532SS*.Hα-helixtrans-67-44.9178.2-177.389.1000111.9I105 K106 S111 K112 Q113I105-W109 WeakPolarHBondContact O-CB 3.24Å; I105-W109 PolarHBondContact O-N 2.83Å; K106-W109 PolarHBondContact O-N 3.37Å; W109-S111 VanDerWaalsContact C-N 3.32Å; W109-S111 PolarHBondContact O-N 2.89Å; W109-K112 PolarHBondContact O-N 3.34Å; W109-Q113 HydrophobicContact CD2-CG 4.06Å; W109-Q113 HydrophobicContact CE3-CG 4.06Å; W109-Q113 HydrophobicContact CH2-CG 3.82Å; W109-Q113 HydrophobicContact CZ2-CG 3.8Å; W109-Q113 HydrophobicContact CZ3-CG 3.95Å; W109-Q113 WeakPolarHBondContact O-CG 3.28Å; W109-Q113 PolarHBondContact O-N 3.49Å
110E88.4Confident84.9Confident79 Ų79115.1 Ų115.137%0.36955%0.545SS..Hα-helixtrans-60.8-40.9174.9-73.2172.4169.200111.6K106 Q113 I114K106-E110 IonicContact NZ-OE1 2.81Å; K106-E110 PolarHBondContact NZ-OE1 2.83Å; K106-E110 WeakPolarHBondContact O-CB 3.47Å; K106-E110 WeakPolarHBondContact O-CG 3.32Å; K106-E110 PolarHBondContact O-N 2.93Å; E110-Q113 PolarHBondContact O-N 3.47Å; E110-I114 WeakPolarHBondContact O-CG1 3.31Å; E110-I114 PolarHBondContact O-N 3.27Å
111S89Confident82.8Confident73 Ų73115.6 Ų115.651%0.5156%0.557SS.*Hα-helixtrans-62.1-45.9175.8-56.80000111.7A107 E108 W109 Q113 I114 E115A107-S111 WeakPolarHBondContact O-CB 3.39Å; A107-S111 PolarHBondContact O-N 2.97Å; A107-S111 PolarHBondContact O-OG 3.02Å; E108-S111 PolarHBondContact O-N 3.22Å; W109-S111 VanDerWaalsContact C-N 3.32Å; W109-S111 PolarHBondContact O-N 2.89Å; S111-Q113 VanDerWaalsContact C-N 3.32Å; S111-Q113 PolarHBondContact O-N 2.99Å; S111-I114 PolarHBondContact O-N 2.94Å; S111-E115 WeakPolarHBondContact O-CB 3.16Å; S111-E115 PolarHBondContact O-N 3.21Å
112K86.5Confident80.5Confident119 Ų119121.9 Ų121.952%0.51758%0.581SS.*Hα-helixtrans-63.4-34.6176.2-73.4162.6-175.7157.80112.5E108 W109 E115 S116E108-K112 WeakPolarHBondContact O-CD 3.26Å; E108-K112 WeakPolarHBondContact O-CG 3.41Å; E108-K112 PolarHBondContact O-N 3.05Å; E108-K112 IonicContact OE2-NZ 3.07Å; E108-K112 PolarHBondContact OE2-NZ 2.86Å; W109-K112 PolarHBondContact O-N 3.34Å; K112-E115 PolarHBondContact O-N 2.95Å; K112-S116 WeakPolarHBondContact O-CB 3.48Å; K112-S116 PolarHBondContact O-N 2.92Å; K112-S116 PolarHBondContact O-OG 3.13Å
113Q82.9Confident78.3Confident77 Ų77120.8 Ų120.836%0.3659%0.588SS.*Hα-helixtrans-68.3-36.3173.9-75.2-67.6-60.100113W109 E110 S111 S116 K117W109-Q113 HydrophobicContact CD2-CG 4.06Å; W109-Q113 HydrophobicContact CE3-CG 4.06Å; W109-Q113 HydrophobicContact CH2-CG 3.82Å; W109-Q113 HydrophobicContact CZ2-CG 3.8Å; W109-Q113 HydrophobicContact CZ3-CG 3.95Å; W109-Q113 WeakPolarHBondContact O-CG 3.28Å; W109-Q113 PolarHBondContact O-N 3.49Å; E110-Q113 PolarHBondContact O-N 3.47Å; S111-Q113 VanDerWaalsContact C-N 3.32Å; S111-Q113 PolarHBondContact O-N 2.99Å; Q113-S116 PolarHBondContact O-OG 2.9Å; Q113-S116 VanDerWaalsContact O-OG 3.11Å; Q113-K117 WeakPolarHBondContact O-CB 3.3Å; Q113-K117 VanDerWaalsContact O-CG 3.32Å; Q113-K117 WeakPolarHBondContact O-CG 3.4Å; Q113-K117 PolarHBondContact O-N 3.24Å
114I83.4Confident76.1Confident101 Ų101120.7 Ų120.752%0.51859%0.593SS.*Hα-helixtrans-69.2-42.1174-67.7164.9000110.2E110 S111 K117 K118E110-I114 WeakPolarHBondContact O-CG1 3.31Å; E110-I114 PolarHBondContact O-N 3.27Å; S111-I114 PolarHBondContact O-N 2.94Å; I114-K117 PolarHBondContact O-N 2.95Å; I114-K118 WeakPolarHBondContact O-CG 3.35Å; I114-K118 PolarHBondContact O-N 3.12Å; I114-K118 VanDerWaalsContact O-N 3.15Å
115E84.4Confident73.7Confident133 Ų133121.5 Ų121.562%0.62161%0.61SS**Hα-helixtrans-65-45.7178-172.3163.6-126.300112.2S111 K112 K117 K118 F119S111-E115 WeakPolarHBondContact O-CB 3.16Å; S111-E115 PolarHBondContact O-N 3.21Å; K112-E115 PolarHBondContact O-N 2.95Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.17Å; E115-K118 PolarHBondContact O-N 2.93Å; E115-K118 VanDerWaalsContact O-N 3.11Å; E115-F119 PolarHBondContact O-N 2.98Å
116S76.5Confident71.3Confident59 Ų59124.3 Ų124.341%0.41362%0.62SS.*Hα-helixtrans-62.1-35.1175.9640000112.6K112 Q113 F119K112-S116 WeakPolarHBondContact O-CB 3.48Å; K112-S116 PolarHBondContact O-N 2.92Å; K112-S116 PolarHBondContact O-OG 3.13Å; Q113-S116 PolarHBondContact O-OG 2.9Å; Q113-S116 VanDerWaalsContact O-OG 3.11Å; S116-F119 PolarHBondContact O-N 3.14Å
117K74.9Confident68.8Low150 Ų150126.5 Ų126.565%0.65264%0.638SS**Hα-helixtrans-68.9-30.7175.2-78178.5174.2-176.20113.3Q113 I114 E115 F119Q113-K117 WeakPolarHBondContact O-CB 3.3Å; Q113-K117 VanDerWaalsContact O-CG 3.32Å; Q113-K117 WeakPolarHBondContact O-CG 3.4Å; Q113-K117 PolarHBondContact O-N 3.24Å; I114-K117 PolarHBondContact O-N 2.95Å; E115-K117 VanDerWaalsContact C-N 3.28Å; E115-K117 PolarHBondContact O-N 3.17Å; K117-F119 PolarHBondContact O-N 3.46Å
118K71.6Confident66.4Low171 Ų171129.9 Ų129.974%0.74365%0.654SS**Hα-helixtrans-71.9-16.5175.2-73.5176.2179-178.50113.8I114 E115I114-K118 WeakPolarHBondContact O-CG 3.35Å; I114-K118 PolarHBondContact O-N 3.12Å; I114-K118 VanDerWaalsContact O-N 3.15Å; E115-K118 PolarHBondContact O-N 2.93Å; E115-K118 VanDerWaalsContact O-N 3.11Å
119F59.7Low63.8Low183 Ų183132.4 Ų132.480%0.80367%0.665SS**THydrogen-bonded Turntrans-99.15.3-176.8-127-85.3000114.1E115 S116 K117 P121E115-F119 PolarHBondContact O-N 2.98Å; S116-F119 PolarHBondContact O-N 3.14Å; K117-F119 PolarHBondContact O-N 3.46Å; F119-P121 WeakPolarHBondContact O-CD 3.17Å
120I54.7Low61.2Low123 Ų123133.4 Ų133.463%0.63168%0.677SS**SBendtrans-89.4116.2173.8-61170.7000108.1
121P50.5Low59Low108 Ų108137.3 Ų137.370%0.70170%0.695SS**  trans-66.9142.1177.6-19.933.6000111.9F119 S123F119-P121 WeakPolarHBondContact O-CD 3.17Å; P121-S123 VanDerWaalsContact C-N 3.26Å; P121-S123 PolarHBondContact O-N 3.25Å
122E44.1Very low56.6Low199 Ų199143.1 Ų143.193%0.9371%0.714SS**  trans-77.771.3-178.7-165.9168.9-137.400111.6K124E122-K124 PolarHBondContact O-N 3.15Å
123S48.1Very low54.4Low109 Ų109142.8 Ų142.876%0.76273%0.726SS**  trans-70.7117.2172.756.80000110.2P121P121-S123 VanDerWaalsContact C-N 3.26Å; P121-S123 PolarHBondContact O-N 3.25Å
124K47.7Very low52.6Low185 Ų185144.1 Ų144.180%0.80474%0.744SS**  trans-50.1139.4179.7-63.5175.1180176.60111.7E122 Q126E122-K124 PolarHBondContact O-N 3.15Å; K124-Q126 PolarHBondContact O-N 3.33Å; K124-Q126 VanDerWaalsContact O-N 3.1Å
125P43.9Very low51.2Low131 Ų131146.1 Ų146.185%0.85176%0.756SS**  trans-66112.6169.428.3-32.6000108.9
126Q42.4Very low50Low173 Ų173145.8 Ų145.881%0.80876%0.758SS**  trans-83.8135.3160-74.3-168.1-106.800108.5K124 V128K124-Q126 PolarHBondContact O-N 3.33Å; K124-Q126 VanDerWaalsContact O-N 3.1Å; Q126-V128 HydrophobicContact CB-CG2 4.19Å; Q126-V128 PolarHBondContact O-N 3.45Å; Q126-V128 VanDerWaalsContact O-N 3.16Å
127D39.5Very low49.3Very low171 Ų171146.4 Ų146.491%0.91476%0.76SS**  trans-70.9103.5176.3-166.22.9000109
128V43.1Very low48.6Very low119 Ų119144.5 Ų144.572%0.72176%0.763SS**  trans-129.7103-176.5-176.20000109.5Q126Q126-V128 HydrophobicContact CB-CG2 4.19Å; Q126-V128 PolarHBondContact O-N 3.45Å; Q126-V128 VanDerWaalsContact O-N 3.16Å
129H38.5Very low48.2Very low160 Ų160147.5 Ų147.574%0.74177%0.77SS**  trans-8.3120.3168.1-138.5-61.7000116.9Q131H129-Q131 PolarHBondContact O-N 2.99Å
130E36.4Very low48.4Very low179 Ų179145.6 Ų145.684%0.83676%0.764SS**  trans-68.185176.5-170.2178.5179.100111.5
131Q42.2Very low48.8Very low161 Ų161145.3 Ų145.375%0.75276%0.763SS**  trans-97.7118.9166.6-72.9-168-18.400109.6H129 S133H129-Q131 PolarHBondContact O-N 2.99Å; Q131-S133 PolarHBondContact O-N 3.47Å
132Q38.4Very low49.4Very low195 Ų195145.1 Ų145.191%0.91176%0.761SS**  trans-63.6104.4-178.2-66170.9-900110.6
133S38.9Very low50.5Low111 Ų111141.1 Ų141.178%0.77675%0.753SS**  trans-115.6146.4176.152.60000111.2Q131 D135Q131-S133 PolarHBondContact O-N 3.47Å; S133-D135 PolarHBondContact O-N 2.68Å
134S46.7Very low51.3Low105 Ų105141.2 Ų141.273%0.73475%0.751SS**  trans-91.8-2.5-146.243.40000117.7L136S134-L136 PolarHBondContact O-N 2.98Å; S134-L136 VanDerWaalsContact O-N 3.14Å
135D53.4Low52.2Low144 Ų144138.5 Ų138.577%0.7775%0.752SS**  trans-101.355.1-148.6-56.6-19.3000113.9S133S133-D135 PolarHBondContact O-N 2.68Å
136L59.4Low53.2Low126 Ų126138.3 Ų138.366%0.6675%0.748SS**  trans-70.8134.1168.8-78.9172.7000111S134 L141S134-L136 PolarHBondContact O-N 2.98Å; S134-L136 VanDerWaalsContact O-N 3.14Å; L136-L141 HydrophobicContact CB-CD1 4.34Å; L136-L141 HydrophobicContact CD1-CD1 4.17Å
137P60.7Low53.8Low71 Ų71135.6 Ų135.646%0.46175%0.746SS.*  trans-59.2138.3-179.2-25.634.3000112.7W139 H140P137-W139 PolarHBondContact O-N 3.2Å; P137-H140 PolarHBondContact O-N 2.58Å
138P60.3Low54.6Low111 Ų111135 Ų13572%0.72174%0.74SS**G310 helixtrans-54.8-19.6-173.8-30.836.2000116.5H140P138-H140 VanDerWaalsContact C-N 3.29Å; P138-H140 PolarHBondContact O-N 3.41Å
139W63.9Low54.9Low234 Ų234133.7 Ų133.789%0.88674%0.735SS**G310 helixtrans-74.2-14.1177.4-55.2101.2000114.2P137P137-W139 PolarHBondContact O-N 3.2Å
140H63.3Low55.3Low143 Ų143131.8 Ų131.866%0.66274%0.736SS**G310 helixtrans-89.7-15.4179.1-80.5-90000114.4P137 P138P137-H140 PolarHBondContact O-N 2.58Å; P138-H140 VanDerWaalsContact C-N 3.29Å; P138-H140 PolarHBondContact O-N 3.41Å
141L63.1Low55.5Low117 Ų117129.3 Ų129.361%0.61373%0.733SS**SBendtrans-121.479.4171.9-7687.3000109.4L136L136-L141 HydrophobicContact CB-CD1 4.34Å; L136-L141 HydrophobicContact CD1-CD1 4.17Å
142P63.4Low55.5Low104 Ų104129 Ų12968%0.67574%0.735SS**PPolyproline II helixtrans-58.9133.2169.826.5-33.8000109.1
143P67Low55.8Low115 Ų115127.4 Ų127.475%0.74773%0.728SS**PPolyproline II helixtrans-61143.9179.925.2-33.9000110.1
144P66.1Low55.7Low111 Ų111131.7 Ų131.772%0.72174%0.735SS**PPolyproline II helixtrans-57.8143.7176.525.7-34.3000110V146P144-V146 PolarHBondContact O-N 3.32Å
145P65.8Low55.5Low127 Ų127132.6 Ų132.683%0.82574%0.736SS**  trans-59.6114.3-177.524.1-33.4000109.6
146V65.1Low54.9Low127 Ų127130.5 Ų130.577%0.7773%0.73SS**PPolyproline II helixtrans-55.4131-178.6-119.60000109.5P144 I148P144-V146 PolarHBondContact O-N 3.32Å; V146-I148 PolarHBondContact O-N 3.26Å; V146-I148 VanDerWaalsContact O-N 3.13Å
147P54.8Low53.8Low117 Ų117134.1 Ų134.176%0.7674%0.744SS**PPolyproline II helixtrans-53.8122.6176.7-27.135.3000110.4P149P147-P149 WeakPolarHBondContact O-CD 3.43Å; P147-P149 VanDerWaalsContact O-N 3.15Å
148I55.8Low52.8Low157 Ų157134.3 Ų134.381%0.80576%0.759SS**PPolyproline II helixtrans-61119178.8-58.7171.1000107.1V146V146-I148 PolarHBondContact O-N 3.26Å; V146-I148 VanDerWaalsContact O-N 3.13Å
149P50.3Low51.7Low93 Ų93133.7 Ų133.760%0.60476%0.763SS**PPolyproline II helixtrans-62.6131.7-178.124.7-33.1000109.4P147 V151P147-P149 WeakPolarHBondContact O-CD 3.43Å; P147-P149 VanDerWaalsContact O-N 3.15Å; P149-V151 PolarHBondContact O-N 2.86Å
150P45.8Very low50.4Low119 Ų119130.2 Ų130.277%0.77376%0.76SS**PPolyproline II helixtrans-67.5128.9-179.827.9-33.7000109.9
151V40.2Very low49.1Very low128 Ų128129.5 Ų129.578%0.77677%0.765SS**  trans38.688.1159.1-170.10000114.7P149 E153P149-V151 PolarHBondContact O-N 2.86Å; V151-E153 PolarHBondContact O-N 3.48Å; V151-E153 VanDerWaalsContact O-N 3.09Å
152I43.9Very low48.1Very low153 Ų153128.7 Ų128.779%0.78577%0.769SS**  trans-67110.2161.4-68.3169.1000107.9
153E43.8Very low47.5Very low162 Ų162129.1 Ų129.176%0.75777%0.77SS**  trans-63.9169.9171.3-74.3-175.9110.300112.1V151 V155V151-E153 PolarHBondContact O-N 3.48Å; V151-E153 VanDerWaalsContact O-N 3.09Å; E153-V155 PolarHBondContact O-N 2.9Å
154Q36.2Very low47.2Very low201 Ų201130 Ų13094%0.93977%0.773SS**  trans-70100.9-176.4-64.2169.8-24.800111.2
155V44.3Very low47.5Very low125 Ų125130.3 Ų130.376%0.75877%0.767SS**  trans-106.1129173.2-172.20000110.3E153E153-V155 PolarHBondContact O-N 2.9Å
156P40.6Very low48.6Very low99 Ų99130 Ų13064%0.64375%0.754SS**  trans-84.6150.6-175.4-7.926000114.2G158P156-G158 PolarHBondContact O-N 2.75Å
157H36.2Very low49.8Very low203 Ų203129.7 Ų129.794%0.9474%0.742SS**SBendtrans31.271.3146.7-56.5102.7000118
158G38.1Very low51.7Low75 Ų75124.3 Ų124.377%0.77371%0.708SS**  trans-150.4129.716900000110.7P156P156-G158 PolarHBondContact O-N 2.75Å
159A37.2Very low53.5Low98 Ų98119.1 Ų119.181%0.8169%0.685SS**  trans-71.8139.1-174.700000112.6
160I38.3Very low55.6Low161 Ų161117.7 Ų117.783%0.82667%0.67SS**  trans170.6140.4132.6-88.7155.5000109.9
161V34.9Very low57.9Low127 Ų127112.4 Ų112.477%0.7764%0.635SS**  trans48.887.8-176.3-1660000116.1
162S42.7Very low60.5Low100 Ų100111.1 Ų111.170%0.69962%0.616SS**  trans-108.399.1154.2-168.40000109.8V164S162-V164 PolarHBondContact O-N 3.15Å
163T50.7Low62.9Low114 Ų114106.2 Ų106.270%0.69959%0.589SS**  trans-66.9121.2154.341.70000106.8M165T163-M165 PolarHBondContact O-N 3.41Å
164V60Low65.3Low134 Ų13498.5 Ų98.581%0.81255%0.552SS**  trans-70.290.3-162.1-174.40000111.2S162 E166S162-V164 PolarHBondContact O-N 3.15Å; V164-E166 PolarHBondContact O-N 3.18Å
165M73.6Confident68.1Low117 Ų11789 Ų8958%0.57651%0.509SS*.PPolyproline II helixtrans-60.4118.9174.2-78.7-169.7-83.600110.1T163 K167 L186T163-M165 PolarHBondContact O-N 3.41Å; M165-K167 PolarHBondContact O-N 3.01Å; M165-L186 HydrophobicContact CB-CB 4.25Å
166E87.6Confident70.5Confident119 Ų11983.4 Ų83.456%0.55648%0.476SS*.PPolyproline II helixtrans-54.1133.4178.3-67.7-172.5137.500111.4V164 C168 R185 L186V164-E166 PolarHBondContact O-N 3.18Å; E166-C168 PolarHBondContact O-N 2.99Å; E166-R185 HydrophobicContact CB-CG 4.25Å; E166-R185 CarbonylContact O-C 3.6Å; E166-R185 WeakPolarHBondContact O-CA 3.44Å; E166-R185 VanDerWaalsContact O-CB 3.27Å; E166-R185 WeakPolarHBondContact O-CB 3.34Å; E166-R185 IonicContact OE2-CZ 2.7Å; E166-R185 IonicContact OE2-NE 3.73Å; E166-R185 PolarHBondContact OE2-NE 2.98Å; E166-R185 IonicContact OE2-NH2 2.78Å; E166-R185 PolarHBondContact OE2-NH2 3.22Å; E166-L186 PolarHBondContact O-N 2.92Å
167K90.5Very high73.2Confident121 Ų12179.2 Ų79.253%0.52645%0.449SS..BIsolated β-bridgetrans-62.4130.8173.5-58.8-176.5-178.1-161.10109.8M165 S169M165-K167 PolarHBondContact O-N 3.01Å; K167-S169 PolarHBondContact O-N 3.27Å
168C94.7Very high76Confident5 Ų575.9 Ų75.93%0.03443%0.428CS..  trans-65.7110.6-179.1-1790000111.4E166 F170 F171 R172 R185 L186 H187E166-C168 PolarHBondContact O-N 2.99Å; C168-F170 PolarHBondContact O-N 3.35Å; C168-F171 HydrophobicContact CB-CB 3.88Å; C168-F171 PolarHBondContact O-N 3.18Å; C168-R172 WeakPolarHBondContact O-CB 3.25Å; C168-R172 PolarHBondContact O-N 2.76Å; C168-R185 HydrophobicContact CB-CB 3.77Å; C168-L186 PolarHBondContact N-O 3.26Å; C168-H187 WeakPolarHBondContact CB-CD2 3.45Å; C168-H187 PolarHBondContact SG-NE2 3.07Å; C168-H187 VanDerWaalsContact SG-NE2 3.44Å
169S93.1Very high78.6Confident48 Ų4878 Ų7834%0.33641%0.413SS..THydrogen-bonded Turntrans-63.7-22.7-175.357.40000114.9K167 K173K167-S169 PolarHBondContact O-N 3.27Å; S169-K173 WeakPolarHBondContact O-CG 3.3Å
170F95.1Very high81.2Confident63 Ų6374.7 Ų74.728%0.27639%0.389SS..THydrogen-bonded Turntrans-78.9-54.2171.2-67.5-68.1000111C168 R172 K173 T174 A176 N354C168-F170 PolarHBondContact O-N 3.35Å; F170-R172 VanDerWaalsContact C-N 3.28Å; F170-R172 PolarHBondContact O-N 2.8Å; F170-K173 PolarHBondContact O-N 3.17Å; F170-T174 PolarHBondContact O-N 3.13Å; F170-T174 PolarHBondContact O-OG1 3Å; F170-T174 VanDerWaalsContact O-OG1 3.04Å; F170-A176 CarbonylContact C-O 3.58Å; F170-N354 HydrophobicContact CD1-CB 3.48Å; F170-N354 VanDerWaalsContact CD1-CB 3.48Å; F170-N354 HydrophobicContact CE1-CB 3.62Å; F170-N354 VanDerWaalsContact CE1-ND2 3.34Å; F170-N354 WeakPolarHBondContact CE1-ND2 3.19Å; F170-N354 HydrophobicContact CG-CB 4.2Å; F170-N354 HydrophobicContact CZ-CB 4.41Å; F170-N354 VanDerWaalsContact CZ-ND2 3.28Å; F170-N354 WeakPolarHBondContact CZ-ND2 3.49Å
171F95.3Very high83.5Confident8 Ų876.2 Ų76.24%0.03539%0.39CS..Hα-helixtrans-55.8-43.1179.4-172.6-90.5000111.9C168 K173 G175 A176 C177 H187 Q188 Y189 V327C168-F171 HydrophobicContact CB-CB 3.88Å; C168-F171 PolarHBondContact O-N 3.18Å; F171-K173 PolarHBondContact O-N 3.22Å; F171-G175 WeakPolarHBondContact CE2-O 3.02Å; F171-G175 VanDerWaalsContact O-CA 3.31Å; F171-G175 WeakPolarHBondContact O-CA 3.28Å; F171-G175 PolarHBondContact O-N 2.67Å; F171-A176 WeakPolarHBondContact CA-O 3.3Å; F171-A176 PolarHBondContact N-O 2.79Å; F171-C177 HydrophobicContact CB-CB 4.39Å; F171-H187 HydrophobicContact CD1-CB 3.96Å; F171-H187 HydrophobicContact CD2-CB 4.22Å; F171-H187 AromaticContact CD2-CG 3.83Å; F171-H187 AromaticContact CD2-ND1 3.89Å; F171-H187 HydrophobicContact CE1-CB 4.12Å; F171-H187 HydrophobicContact CE2-CB 4.36Å; F171-H187 HydrophobicContact CG-CB 4.03Å; F171-H187 AromaticContact CG-CD2 3.73Å; F171-H187 AromaticContact CG-CG 3.75Å; F171-H187 HydrophobicContact CZ-CB 4.32Å; F171-Q188 WeakPolarHBondContact CE1-O 3.38Å; F171-Y189 HydrophobicContact CE2-CD1 4.43Å; F171-Y189 AromaticContact CE2-CE1 3.77Å; F171-Y189 HydrophobicContact CE2-CE1 3.77Å; F171-Y189 HydrophobicContact CE2-CE2 4.19Å; F171-Y189 AromaticContact CE2-CZ 3.63Å; F171-Y189 AromaticContact CZ-CD1 3.68Å; F171-Y189 HydrophobicContact CZ-CD1 3.68Å; F171-Y189 HydrophobicContact CZ-CD2 4.07Å; F171-Y189 AromaticContact CZ-CE1 3.48Å; F171-Y189 HydrophobicContact CZ-CE1 3.48Å; F171-Y189 VanDerWaalsContact CZ-CE1 3.48Å; F171-Y189 AromaticContact CZ-CE2 3.89Å; F171-Y189 HydrophobicContact CZ-CE2 3.89Å; F171-Y189 AromaticContact CZ-CG 3.97Å; F171-Y189 HydrophobicContact CZ-CG 3.97Å; F171-Y189 AromaticContact CZ-CZ 3.58Å; F171-V327 HydrophobicContact CZ-CG1 4.45Å
172R93.7Very high86.2Confident101 Ų10176.4 Ų76.438%0.38139%0.386SS..Hα-helixtrans-57.2-30.4175.4-164.3-170.376.272.44.4113.5C168 F170 G330 E335C168-R172 WeakPolarHBondContact O-CB 3.25Å; C168-R172 PolarHBondContact O-N 2.76Å; F170-R172 VanDerWaalsContact C-N 3.28Å; F170-R172 PolarHBondContact O-N 2.8Å; R172-G330 PolarHBondContact NH1-O 3.48Å; R172-G330 WeakPolarHBondContact O-CA 3.46Å; R172-G330 PolarHBondContact O-N 2.97Å; R172-E335 IonicContact NH2-OE2 3.48Å; R172-E335 PolarHBondContact NH2-OE2 2.89Å
173K93.7Very high88.6Confident49 Ų4972.9 Ų72.921%0.21336%0.361CS..Hα-helixtrans-96-33.8-175.9-71.9179.2-176.7-87.40113.3S169 F170 F171 E335 A336 F355S169-K173 WeakPolarHBondContact O-CG 3.3Å; F170-K173 PolarHBondContact O-N 3.17Å; F171-K173 PolarHBondContact O-N 3.22Å; K173-E335 HydrophobicContact CG-CB 4.34Å; K173-E335 IonicContact NZ-OE1 3.29Å; K173-E335 PolarHBondContact NZ-OE1 3.29Å; K173-E335 IonicContact NZ-OE2 2.81Å; K173-E335 PolarHBondContact NZ-OE2 3.33Å; K173-A336 WeakPolarHBondContact O-CA 3.33Å; K173-A336 VanDerWaalsContact O-CB 3.26Å; K173-A336 WeakPolarHBondContact O-CB 3.18Å; K173-F355 HydrophobicContact CD-CE1 4.13Å
174T95.2Very high90.6Very high0 Ų073 Ų730%037%0.366CS..Hα-helixtrans-121.9-4.6-170.258.70000114.4F170 A176 Y295 L329 A336 F355 L356F170-T174 PolarHBondContact O-N 3.13Å; F170-T174 PolarHBondContact O-OG1 3Å; F170-T174 VanDerWaalsContact O-OG1 3.04Å; T174-A176 PolarHBondContact O-N 2.9Å; T174-A176 PolarHBondContact OG1-N 3.21Å; T174-A176 PolarHBondContact OG1-O 2.84Å; T174-A176 VanDerWaalsContact OG1-O 3.12Å; T174-Y295 VanDerWaalsContact O-CE1 3.23Å; T174-Y295 WeakPolarHBondContact O-CE1 3.13Å; T174-Y295 PolarHBondContact O-OH 3.49Å; T174-L329 VanDerWaalsContact C-CD2 3.44Å; T174-A336 HydrophobicContact CG2-CB 4.5Å; T174-F355 HydrophobicContact CG2-CD1 4.29Å; T174-L356 HydrophobicContact CG2-CD2 4.26Å; T174-L356 HydrophobicContact CG2-CG 4.37Å
175G94.4Very high92.1Very high2 Ų271.2 Ų71.22%0.02135%0.345CS..SBendtrans66.312.1-169.700000113.8F171 Q223F171-G175 WeakPolarHBondContact CE2-O 3.02Å; F171-G175 VanDerWaalsContact O-CA 3.31Å; F171-G175 WeakPolarHBondContact O-CA 3.28Å; F171-G175 PolarHBondContact O-N 2.67Å; G175-Q223 PolarHBondContact O-NE2 3.06Å
176A95.6Very high92.9Very high8 Ų869 Ų697%0.06634%0.335CS..  trans-143.2151.5-174.900000112.3F170 F171 T174 L290F170-A176 CarbonylContact C-O 3.58Å; F171-A176 WeakPolarHBondContact CA-O 3.3Å; F171-A176 PolarHBondContact N-O 2.79Å; T174-A176 PolarHBondContact O-N 2.9Å; T174-A176 PolarHBondContact OG1-N 3.21Å; T174-A176 PolarHBondContact OG1-O 2.84Å; T174-A176 VanDerWaalsContact OG1-O 3.12Å; A176-L290 HydrophobicContact CB-CD2 3.54Å
177C96.1Very high93.2Very high11 Ų1164.8 Ų64.87%0.07432%0.315CS..  trans-144.9135.7178.1179.50000110.2F171 Y179 G180 H187F171-C177 HydrophobicContact CB-CB 4.39Å; C177-Y179 PolarHBondContact O-N 2.91Å; C177-Y179 VanDerWaalsContact O-N 3.11Å; C177-G180 PolarHBondContact O-N 2.95Å; C177-H187 WeakPolarHBondContact CB-CE1 3.29Å; C177-H187 VanDerWaalsContact CB-NE2 3.35Å; C177-H187 WeakPolarHBondContact CB-NE2 3.5Å
178R95Very high93.1Very high132 Ų13264 Ų6450%0.49831%0.314SS..THydrogen-bonded Turntrans-60.5-19.5-179.868-174.6178.9-174.13.1115.2H289R178-H289 PolarHBondContact N-CD2 3.42Å
179Y94.4Very high92.9Very high119 Ų11969.8 Ų69.847%0.46734%0.336SS..THydrogen-bonded Turntrans-94.9-10.7178-54.5-70.1000113.1C177 F181 L182C177-Y179 PolarHBondContact O-N 2.91Å; C177-Y179 VanDerWaalsContact O-N 3.11Å; Y179-F181 PolarHBondContact O-N 3.37Å; Y179-L182 WeakPolarHBondContact O-CA 3.48Å; Y179-L182 WeakPolarHBondContact O-CB 3.47Å; Y179-L182 PolarHBondContact O-N 2.86Å
180G89.8Confident92.7Very high30 Ų3068.1 Ų68.131%0.30932%0.324SS..G310 helixtrans54.5-128.8-177.100000112.2C177 L182 H187C177-G180 PolarHBondContact O-N 2.95Å; G180-L182 PolarHBondContact O-N 3.45Å; G180-H187 PolarHBondContact O-CE1 2.89Å; G180-H187 PolarHBondContact O-ND1 3.08Å
181F87.3Confident92.3Very high193 Ų19367 Ų6785%0.84632%0.324SS*.G310 helixtrans-70.4-1517661.9-86000114Y179 C183Y179-F181 PolarHBondContact O-N 3.37Å; F181-C183 VanDerWaalsContact C-N 3.25Å; F181-C183 PolarHBondContact O-N 3.23Å
182L92.4Very high91.9Very high131 Ų13170.3 Ų70.369%0.68634%0.336SS*.G310 helixtrans-88.220.8176.9-58174.9000112.8Y179 G180Y179-L182 WeakPolarHBondContact O-CA 3.48Å; Y179-L182 WeakPolarHBondContact O-CB 3.47Å; Y179-L182 PolarHBondContact O-N 2.86Å; G180-L182 PolarHBondContact O-N 3.45Å
183C92.9Very high91.1Very high26 Ų2673.8 Ų73.818%0.17635%0.35CS..  trans-83.2126.9178.6-159.70000111.2F181 R185 H187F181-C183 VanDerWaalsContact C-N 3.25Å; F181-C183 PolarHBondContact O-N 3.23Å; C183-R185 PolarHBondContact O-N 2.86Å; C183-H187 WeakPolarHBondContact CB-NE2 3.47Å
184S92.1Very high89.7Confident115 Ų11574.9 Ų74.980%0.80436%0.358SS*.SBendtrans-71.715.817355.40000114.6
185R92.5Very high87.8Confident98 Ų9876.2 Ų76.237%0.3737%0.366SS..SBendtrans-136142.3-179.2-78.8-172.5167156.8-7109.8E166 C168 C183 H187E166-R185 HydrophobicContact CB-CG 4.25Å; E166-R185 CarbonylContact O-C 3.6Å; E166-R185 WeakPolarHBondContact O-CA 3.44Å; E166-R185 VanDerWaalsContact O-CB 3.27Å; E166-R185 WeakPolarHBondContact O-CB 3.34Å; E166-R185 IonicContact OE2-CZ 2.7Å; E166-R185 IonicContact OE2-NE 3.73Å; E166-R185 PolarHBondContact OE2-NE 2.98Å; E166-R185 IonicContact OE2-NH2 2.78Å; E166-R185 PolarHBondContact OE2-NH2 3.22Å; C168-R185 HydrophobicContact CB-CB 3.77Å; C183-R185 PolarHBondContact O-N 2.86Å; R185-H187 PolarHBondContact O-CD2 2.91Å; R185-H187 PolarHBondContact O-N 3.46Å
186L90.6Very high85.7Confident70 Ų7080.4 Ų80.437%0.36639%0.387SS..BIsolated β-bridgetrans-63.1127.1-172.2-178.464.6000112M165 E166 C168 Q188M165-L186 HydrophobicContact CB-CB 4.25Å; E166-L186 PolarHBondContact O-N 2.92Å; C168-L186 PolarHBondContact N-O 3.26Å; L186-Q188 HydrophobicContact CD2-CG 3.84Å; L186-Q188 HydrophobicContact CG-CG 3.99Å
187H92.8Very high83.3Confident30 Ų3085.3 Ų85.314%0.13941%0.411CS..  trans-97.3103.9169.1-69.7176.5000109.2C168 F171 C177 G180 C183 R185 Y189C168-H187 WeakPolarHBondContact CB-CD2 3.45Å; C168-H187 PolarHBondContact SG-NE2 3.07Å; C168-H187 VanDerWaalsContact SG-NE2 3.44Å; F171-H187 HydrophobicContact CD1-CB 3.96Å; F171-H187 HydrophobicContact CD2-CB 4.22Å; F171-H187 AromaticContact CD2-CG 3.83Å; F171-H187 AromaticContact CD2-ND1 3.89Å; F171-H187 HydrophobicContact CE1-CB 4.12Å; F171-H187 HydrophobicContact CE2-CB 4.36Å; F171-H187 HydrophobicContact CG-CB 4.03Å; F171-H187 AromaticContact CG-CD2 3.73Å; F171-H187 AromaticContact CG-CG 3.75Å; F171-H187 HydrophobicContact CZ-CB 4.32Å; C177-H187 WeakPolarHBondContact CB-CE1 3.29Å; C177-H187 VanDerWaalsContact CB-NE2 3.35Å; C177-H187 WeakPolarHBondContact CB-NE2 3.5Å; G180-H187 PolarHBondContact O-CE1 2.89Å; G180-H187 PolarHBondContact O-ND1 3.08Å; C183-H187 WeakPolarHBondContact CB-NE2 3.47Å; R185-H187 PolarHBondContact O-CD2 2.91Å; R185-H187 PolarHBondContact O-N 3.46Å; H187-Y189 HydrophobicContact CB-CD2 4.28Å; H187-Y189 HydrophobicContact CB-CE2 3.83Å; H187-Y189 PolarHBondContact O-N 3.06Å
188Q88.8Confident80.9Confident104 Ų10489.5 Ų89.549%0.48643%0.429SS..  trans-85.288.9175.2-64.7-163.9-62.800110F171 L186F171-Q188 WeakPolarHBondContact CE1-O 3.38Å; L186-Q188 HydrophobicContact CD2-CG 3.84Å; L186-Q188 HydrophobicContact CG-CG 3.99Å
189Y90Very high78.5Confident127 Ų12787.1 Ų87.150%0.49843%0.433SS..PPolyproline II helixtrans-66.4137.2162.8-65.9-93000108.4F171 H187F171-Y189 HydrophobicContact CE2-CD1 4.43Å; F171-Y189 AromaticContact CE2-CE1 3.77Å; F171-Y189 HydrophobicContact CE2-CE1 3.77Å; F171-Y189 HydrophobicContact CE2-CE2 4.19Å; F171-Y189 AromaticContact CE2-CZ 3.63Å; F171-Y189 AromaticContact CZ-CD1 3.68Å; F171-Y189 HydrophobicContact CZ-CD1 3.68Å; F171-Y189 HydrophobicContact CZ-CD2 4.07Å; F171-Y189 AromaticContact CZ-CE1 3.48Å; F171-Y189 HydrophobicContact CZ-CE1 3.48Å; F171-Y189 VanDerWaalsContact CZ-CE1 3.48Å; F171-Y189 AromaticContact CZ-CE2 3.89Å; F171-Y189 HydrophobicContact CZ-CE2 3.89Å; F171-Y189 AromaticContact CZ-CG 3.97Å; F171-Y189 HydrophobicContact CZ-CG 3.97Å; F171-Y189 AromaticContact CZ-CZ 3.58Å; H187-Y189 HydrophobicContact CB-CD2 4.28Å; H187-Y189 HydrophobicContact CB-CE2 3.83Å; H187-Y189 PolarHBondContact O-N 3.06Å
190P90Very high75.9Confident14 Ų1488.7 Ų88.79%0.09144%0.442CS..PPolyproline II helixtrans-66.2151.1172.531.1-35.3000109.8L220 W306 V326P190-L220 HydrophobicContact CB-CD2 3.69Å; P190-L220 HydrophobicContact CG-CD2 3.65Å; P190-W306 HydrophobicContact CB-CZ2 4.15Å; P190-W306 HydrophobicContact CG-CH2 4.41Å; P190-W306 HydrophobicContact CG-CZ2 3.99Å; P190-W306 WeakPolarHBondContact O-CH2 3.41Å; P190-V326 HydrophobicContact CG-CG1 4.08Å
191S86.7Confident73.3Confident39 Ų3993.7 Ų93.727%0.27346%0.462SS..PPolyproline II helixtrans-95.5157.1163.6105.30000110.8Y193 D194S191-Y193 PolarHBondContact O-N 3.23Å; S191-Y193 VanDerWaalsContact O-N 3.11Å; S191-Y193 PolarHBondContact OG-N 3.19Å; S191-Y193 VanDerWaalsContact OG-N 3.08Å; S191-D194 WeakPolarHBondContact CB-OD1 3.31Å; S191-D194 PolarHBondContact N-OD2 3.05Å; S191-D194 PolarHBondContact O-N 3.33Å; S191-D194 PolarHBondContact OG-N 3.25Å; S191-D194 PolarHBondContact OG-OD1 2.72Å
192R85.6Confident71.3Confident78 Ų7891.5 Ų91.529%0.29446%0.458SS..THydrogen-bonded Turntrans-65-10.7176-172169.2176.8139.311.1113.4W306 D307 E310R192-W306 HydrophobicContact CB-CD2 3.86Å; R192-W306 HydrophobicContact CB-CE3 4.08Å; R192-W306 HydrophobicContact CB-CG 4.3Å; R192-W306 HydrophobicContact CB-CZ2 4.31Å; R192-W306 HydrophobicContact CB-CZ3 4.41Å; R192-W306 HydrophobicContact CG-CB 4.29Å; R192-W306 HydrophobicContact CG-CD2 4Å; R192-W306 HydrophobicContact CG-CE3 4.45Å; R192-W306 HydrophobicContact CG-CG 3.9Å; R192-D307 IonicContact CZ-OD1 3.37Å; R192-D307 IonicContact NH1-OD1 2.76Å; R192-D307 PolarHBondContact NH1-OD1 2.99Å; R192-D307 IonicContact NH2-OD1 2.71Å; R192-D307 PolarHBondContact NH2-OD1 3Å; R192-E310 IonicContact CZ-OE1 3.89Å; R192-E310 IonicContact NH1-OE1 2.68Å; R192-E310 PolarHBondContact NH1-OE1 2.89Å; R192-E310 IonicContact NH1-OE2 3.44Å; R192-E310 PolarHBondContact NH1-OE2 3.26Å
193Y77Confident68.8Low173 Ų17388.5 Ų88.568%0.67845%0.452SS*.THydrogen-bonded Turntrans-107.5-20.7-178.9-55.1-73.1000113.5S191 D195 I196S191-Y193 PolarHBondContact O-N 3.23Å; S191-Y193 VanDerWaalsContact O-N 3.11Å; S191-Y193 PolarHBondContact OG-N 3.19Å; S191-Y193 VanDerWaalsContact OG-N 3.08Å; Y193-D195 VanDerWaalsContact C-N 3.28Å; Y193-D195 PolarHBondContact O-N 3.29Å; Y193-I196 HydrophobicContact CD1-CD1 4.39Å; Y193-I196 WeakPolarHBondContact O-CB 3.23Å; Y193-I196 PolarHBondContact O-N 3.09Å
194D65.3Low66.2Low72 Ų7295.2 Ų95.239%0.38549%0.486SS..Hα-helixtrans-60.6-41.7-177.2-59.1-8.1000111.1S191 I196 I197S191-D194 WeakPolarHBondContact CB-OD1 3.31Å; S191-D194 PolarHBondContact N-OD2 3.05Å; S191-D194 PolarHBondContact O-N 3.33Å; S191-D194 PolarHBondContact OG-N 3.25Å; S191-D194 PolarHBondContact OG-OD1 2.72Å; D194-I196 PolarHBondContact O-N 3.2Å; D194-I196 VanDerWaalsContact O-N 3.08Å; D194-I197 PolarHBondContact O-N 3.06Å
195D54.8Low63.9Low28 Ų2896.3 Ų96.315%0.1548%0.483CS..Hα-helixtrans-63.2-15.9-176.8-53.8-31.4000112.9Y193 S199 L220 W306 R328Y193-D195 VanDerWaalsContact C-N 3.28Å; Y193-D195 PolarHBondContact O-N 3.29Å; D195-S199 PolarHBondContact O-OG 3.38Å; D195-L220 VanDerWaalsContact CG-CD1 3.47Å; D195-L220 WeakPolarHBondContact OD1-CD1 3.44Å; D195-W306 PolarHBondContact OD2-NE1 3.36Å; D195-R328 IonicContact OD1-CZ 2.68Å; D195-R328 IonicContact OD1-NH2 2.92Å; D195-R328 PolarHBondContact OD1-NH2 3.09Å
196I50.2Low61.7Low90 Ų90100.1 Ų100.146%0.46250%0.504SS..Hα-helixtrans-74.9-38174.5-55.6176.4000110.2Y193 D194 S199 F200Y193-I196 HydrophobicContact CD1-CD1 4.39Å; Y193-I196 WeakPolarHBondContact O-CB 3.23Å; Y193-I196 PolarHBondContact O-N 3.09Å; D194-I196 PolarHBondContact O-N 3.2Å; D194-I196 VanDerWaalsContact O-N 3.08Å; I196-S199 PolarHBondContact O-N 2.73Å; I196-S199 PolarHBondContact O-OG 3.24Å; I196-F200 HydrophobicContact CG2-CD2 4.47Å; I196-F200 HydrophobicContact CG2-CE2 4.11Å; I196-F200 WeakPolarHBondContact O-CD2 3.48Å
197I45.7Very low59.3Low112 Ų112104.1 Ų104.157%0.57453%0.526SS*.Hα-helixtrans-74.6-38.9-170.5-59.3176.3000111.2D194 S199 F200D194-I197 PolarHBondContact O-N 3.06Å; I197-S199 PolarHBondContact O-N 3.4Å; I197-F200 PolarHBondContact O-N 2.94Å
198E45.4Very low57Low99 Ų99108.6 Ų108.646%0.46356%0.555SS.*THydrogen-bonded Turntrans-65.8-22179.9-69.2176.5150.300113.5R328E198-R328 IonicContact OE1-CZ 3.93Å; E198-R328 IonicContact OE1-NH1 2.67Å; E198-R328 PolarHBondContact OE1-NH1 3.23Å; E198-R328 IonicContact OE1-NH2 2.72Å; E198-R328 IonicContact OE2-CZ 3.12Å; E198-R328 IonicContact OE2-NH1 2.71Å; E198-R328 PolarHBondContact OE2-NH1 2.89Å; E198-R328 IonicContact OE2-NH2 2.67Å; E198-R328 PolarHBondContact OE2-NH2 3.34Å
199S44.3Very low54.5Low81 Ų81107.9 Ų107.957%0.56658%0.576SS**THydrogen-bonded Turntrans-87-12.2-179.851.40000114.8D195 I196 I197D195-S199 PolarHBondContact O-OG 3.38Å; I196-S199 PolarHBondContact O-N 2.73Å; I196-S199 PolarHBondContact O-OG 3.24Å; I197-S199 PolarHBondContact O-N 3.4Å
200F38.6Very low51.8Low153 Ų153105 Ų10567%0.67159%0.585SS**THydrogen-bonded Turntrans-86.8-28.8171.4-80.1-81.5000113.3I196 I197 I202I196-F200 HydrophobicContact CG2-CD2 4.47Å; I196-F200 HydrophobicContact CG2-CE2 4.11Å; I196-F200 WeakPolarHBondContact O-CD2 3.48Å; I197-F200 PolarHBondContact O-N 2.94Å; F200-I202 PolarHBondContact O-N 3.11Å
201N36.2Very low49.6Very low134 Ų134111.9 Ų111.972%0.71762%0.62SS**THydrogen-bonded Turntrans-77.818.9-174.9-66.9-26000114.9
202I45.4Very low47.6Very low148 Ų148117.7 Ų117.776%0.75965%0.648SS**THydrogen-bonded Turntrans-116.8-4.6-176.3-60176.1000111.5F200F200-I202 PolarHBondContact O-N 3.11Å
203A39Very low45.6Very low68 Ų68121.5 Ų121.556%0.56267%0.669SS**SBendtrans-94.7-20.9-166.800000116.5
204D39.8Very low44.4Very low166 Ų166118.5 Ų118.589%0.88867%0.671SS**SBendtrans-125.616.1-152.7-120.6-4.2000116.3
205D43.7Very low44Very low139 Ų139121.9 Ų121.974%0.74369%0.687SS**  trans-134.682.2173.5-158.3-3.9000112
206Q45.2Very low44.7Very low177 Ų177125.7 Ų125.783%0.82771%0.708SS**  trans-101.556.6-177.9-65.6-172.321.300113.6
207D41.6Very low46Very low155 Ų155123.8 Ų123.883%0.82970%0.699SS**  trans-164.551.3152.5-119.5-17.8000117
208V44.2Very low47.9Very low123 Ų123120 Ų12075%0.74568%0.682SS**  trans-121.768.7170.1-1650000112.6G210V208-G210 PolarHBondContact O-N 2.9Å; V208-G210 VanDerWaalsContact O-N 3.13Å
209G35.6Very low50Low89 Ų89116 Ų11692%0.91866%0.664SS**  trans-77.788.2175.700000114.2
210G33.4Very low52.3Low66 Ų66113.1 Ų113.168%0.6864%0.643SS**  trans139.185.8153.200000118.4V208V208-G210 PolarHBondContact O-N 2.9Å; V208-G210 VanDerWaalsContact O-N 3.13Å
211L43.9Very low55Low159 Ų159105.8 Ų105.883%0.83261%0.611SS**SBendtrans-156.7167.5146.9-105.5159.7000108.2E213L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.5Å
212D44.4Very low57.8Low161 Ų16199.4 Ų99.486%0.86158%0.577SS**  trans-74.374-172.5-66.6-70.8000113.1
213E44.3Very low60.3Low159 Ų15992.7 Ų92.774%0.74354%0.542SS*.  trans-59.1123.6174-83.2-57127.700111.3L211 I215L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.5Å; E213-I215 PolarHBondContact O-N 3.08Å
214P51.2Low63.1Low110 Ų11089.5 Ų89.571%0.71452%0.515SS*.  trans-75.396.4-175.230.3-34000109.9D216P214-D216 PolarHBondContact O-N 3.25Å
215I57.1Low65.7Low142 Ų14284.5 Ų84.573%0.72849%0.488SS*.  trans-41.4108.1174.5-56.8172.4000109.4E213 N217E213-I215 PolarHBondContact O-N 3.08Å; I215-N217 PolarHBondContact O-N 3.35Å; I215-N217 VanDerWaalsContact O-N 3.15Å; I215-N217 PolarHBondContact O-ND2 2.91Å
216D69.4Low68.1Low109 Ų10982.2 Ų82.258%0.58347%0.472SS*.  trans-69.7119.1174.4-173.524.4000108.5P214 S218P214-D216 PolarHBondContact O-N 3.25Å; D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 VanDerWaalsContact OD1-CB 3.3Å; D216-S218 WeakPolarHBondContact OD1-CB 3.38Å; D216-S218 PolarHBondContact OD1-N 3.14Å; D216-S218 WeakPolarHBondContact OD2-CB 3.46Å; D216-S218 PolarHBondContact OD2-OG 2.66Å
217N78.1Confident70.5Confident50 Ų5074.5 Ų74.527%0.26744%0.436SS..  trans-99.514.2176.7-72.3-102.2000110.5I215 C219 G332 H376I215-N217 PolarHBondContact O-N 3.35Å; I215-N217 VanDerWaalsContact O-N 3.15Å; I215-N217 PolarHBondContact O-ND2 2.91Å; N217-C219 PolarHBondContact O-N 3.34Å; N217-G332 WeakPolarHBondContact O-CA 3.33Å; N217-G332 PolarHBondContact O-N 2.99Å; N217-H376 VanDerWaalsContact CG-ND1 3.28Å; N217-H376 PolarHBondContact ND2-ND1 2.96Å; N217-H376 WeakPolarHBondContact OD1-CB 3.33Å; N217-H376 PolarHBondContact OD1-ND1 2.95Å
218S85.3Confident73Confident31 Ų3167.6 Ų67.622%0.21740%0.398CS..  trans-63.3135.4179.983.50000111.5D216 L329D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 VanDerWaalsContact OD1-CB 3.3Å; D216-S218 WeakPolarHBondContact OD1-CB 3.38Å; D216-S218 PolarHBondContact OD1-N 3.14Å; D216-S218 WeakPolarHBondContact OD2-CB 3.46Å; D216-S218 PolarHBondContact OD2-OG 2.66Å; S218-L329 VanDerWaalsContact CA-O 3.28Å; S218-L329 WeakPolarHBondContact CA-O 3.22Å
219C88.8Confident75.3Confident15 Ų1564.5 Ų64.510%0.10138%0.38CS..EExtended strand (participates in β ladder)trans-132.3145.8176.964.80000110.9N217 E297 R328 L329N217-C219 PolarHBondContact O-N 3.34Å; C219-E297 WeakPolarHBondContact CB-OE1 3.34Å; C219-R328 CarbonylContact O-C 3.59Å; C219-R328 WeakPolarHBondContact O-CA 3.39Å; C219-L329 PolarHBondContact N-O 2.68Å; C219-L329 PolarHBondContact O-N 2.92Å
220L93Very high77.9Confident21 Ų2160.9 Ų60.911%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-99.5123-179-74.3146.7000108.9P190 D195 P302 V326 R328P190-L220 HydrophobicContact CB-CD2 3.69Å; P190-L220 HydrophobicContact CG-CD2 3.65Å; D195-L220 VanDerWaalsContact CG-CD1 3.47Å; D195-L220 WeakPolarHBondContact OD1-CD1 3.44Å; L220-P302 HydrophobicContact CB-CB 4.11Å; L220-P302 HydrophobicContact CB-CG 4.2Å; L220-P302 HydrophobicContact CD1-CB 3.81Å; L220-P302 HydrophobicContact CD1-CG 3.67Å; L220-V326 HydrophobicContact CD2-CG1 4.2Å; L220-R328 HydrophobicContact CD2-CB 3.76Å; L220-R328 HydrophobicContact CD2-CG 4.06Å; L220-R328 HydrophobicContact CG-CB 4.36Å; L220-R328 HydrophobicContact CG-CG 4.16Å
221V94.9Very high80.4Confident0 Ų063.8 Ų63.80%033%0.331CS..EExtended strand (participates in β ladder)trans-131142.9-172.1-56.50000110.7Q223 Y295 V296 E297 V327 L329 W333V221-Q223 PolarHBondContact O-N 3.38Å; V221-Y295 HydrophobicContact CG2-CD1 3.91Å; V221-V296 CarbonylContact C-O 3.58Å; V221-V296 VanDerWaalsContact CA-O 3.31Å; V221-V296 WeakPolarHBondContact CA-O 3.06Å; V221-V296 WeakPolarHBondContact CB-O 3.27Å; V221-E297 HydrophobicContact CG1-CB 3.94Å; V221-E297 HydrophobicContact CG1-CG 4.47Å; V221-V327 HydrophobicContact CG2-CG2 3.62Å; V221-V327 PolarHBondContact N-O 3.48Å; V221-V327 PolarHBondContact O-N 2.63Å; V221-L329 HydrophobicContact CG1-CD1 4.16Å; V221-L329 HydrophobicContact CG2-CD1 4.01Å; V221-L329 HydrophobicContact CG2-CD2 4.37Å; V221-L329 HydrophobicContact CG2-CG 3.89Å; V221-W333 HydrophobicContact CG1-CH2 4.38Å; V221-W333 HydrophobicContact CG1-CZ2 3.85Å
222L96.7Very high82.3Confident0 Ų057.9 Ų57.90%030%0.298CS..EExtended strand (participates in β ladder)trans-70.7123.4165167.265.3000108.3I224 L270 Y295 V296 F298 A305 A308 A309 C324L222-I224 HydrophobicContact CD1-CG1 4.17Å; L222-I224 HydrophobicContact CD2-CD1 4.07Å; L222-I224 HydrophobicContact CD2-CG1 4.09Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 3.92Å; L222-L270 HydrophobicContact CD2-CD2 4.41Å; L222-Y295 CarbonylContact O-C 3.52Å; L222-Y295 VanDerWaalsContact O-CA 3.32Å; L222-Y295 WeakPolarHBondContact O-CA 3.38Å; L222-V296 HydrophobicContact CB-CB 4.27Å; L222-V296 PolarHBondContact N-O 3.41Å; L222-V296 PolarHBondContact O-N 3.1Å; L222-F298 HydrophobicContact CB-CE2 4.05Å; L222-F298 HydrophobicContact CD2-CE2 4.04Å; L222-F298 HydrophobicContact CD2-CZ 4.15Å; L222-A305 HydrophobicContact CB-CB 4.37Å; L222-A308 HydrophobicContact CD2-CB 3.73Å; L222-A309 HydrophobicContact CD1-CB 3.84Å; L222-C324 HydrophobicContact CD1-CB 3.99Å
223Q97.2Very high84.2Confident7 Ų750.4 Ų50.43%0.03326%0.258CS..EExtended strand (participates in β ladder)trans-106.4118.1171.5178.8-170.461.900108.7G175 V221 L225 V294 Y295 C324 T325 V327G175-Q223 PolarHBondContact O-NE2 3.06Å; V221-Q223 PolarHBondContact O-N 3.38Å; Q223-L225 HydrophobicContact CG-CD2 3.8Å; Q223-L225 HydrophobicContact CG-CG 4.4Å; Q223-V294 CarbonylContact C-O 3.57Å; Q223-V294 WeakPolarHBondContact CA-O 3.33Å; Q223-Y295 HydrophobicContact CB-CD1 4.21Å; Q223-Y295 HydrophobicContact CB-CE1 4.13Å; Q223-Y295 HydrophobicContact CG-CD1 4.24Å; Q223-Y295 HydrophobicContact CG-CE1 3.76Å; Q223-Y295 PolarHBondContact NE2-OH 3.26Å; Q223-C324 WeakPolarHBondContact O-CA 3.36Å; Q223-T325 WeakPolarHBondContact CB-O 3.49Å; Q223-T325 PolarHBondContact N-O 3.01Å; Q223-T325 PolarHBondContact O-N 2.86Å; Q223-T325 PolarHBondContact O-OG1 2.84Å; Q223-T325 PolarHBondContact OE1-OG1 2.74Å; Q223-V327 HydrophobicContact CB-CG1 4.33Å; Q223-V327 HydrophobicContact CB-CG2 3.89Å
224I97.1Very high85.8Confident1 Ų144.9 Ų44.91%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-105.7110.9172.3-45.9179.7000107.6L222 M227 S293 V294 L322L222-I224 HydrophobicContact CD1-CG1 4.17Å; L222-I224 HydrophobicContact CD2-CD1 4.07Å; L222-I224 HydrophobicContact CD2-CG1 4.09Å; L222-I224 HydrophobicContact CG-CD1 4.44Å; L222-I224 HydrophobicContact CG-CG1 3.92Å; I224-M227 HydrophobicContact CB-CB 4.25Å; I224-M227 HydrophobicContact CB-SD 4.12Å; I224-M227 HydrophobicContact CD1-CE 4.45Å; I224-M227 HydrophobicContact CD1-SD 3.72Å; I224-M227 HydrophobicContact CG2-CB 3.81Å; I224-M227 HydrophobicContact CG2-CG 3.98Å; I224-M227 HydrophobicContact CG2-SD 3.84Å; I224-S293 CarbonylContact O-C 3.56Å; I224-S293 VanDerWaalsContact O-CA 3.28Å; I224-S293 WeakPolarHBondContact O-CA 3.43Å; I224-V294 HydrophobicContact CB-CB 4.47Å; I224-V294 PolarHBondContact N-O 2.92Å; I224-V294 PolarHBondContact O-N 3.02Å; I224-L322 HydrophobicContact CG2-CB 4.48Å; I224-L322 HydrophobicContact CG2-CD2 4.02Å
225L94.9Very high86.3Confident61 Ų6143.8 Ų43.832%0.31922%0.222SC..EExtended strand (participates in β ladder)trans-76.9128.9-170.7-65.5175000111.8Q223 M227 T323Q223-L225 HydrophobicContact CG-CD2 3.8Å; Q223-L225 HydrophobicContact CG-CG 4.4Å; L225-M227 VanDerWaalsContact C-N 3.25Å; L225-M227 PolarHBondContact O-N 3.03Å; L225-T323 HydrophobicContact CD1-CG2 4.07Å; L225-T323 PolarHBondContact N-O 3.34Å
226K93.3Very high86.2Confident90 Ų9038.9 Ų38.939%0.39120%0.198SC..THydrogen-bonded Turntrans5141.9174.5-54.2-178.8176.5-179.30113.5N288 R291 S293 R320K226-N288 WeakPolarHBondContact CE-O 3.38Å; K226-N288 PolarHBondContact NZ-O 2.79Å; K226-N288 VanDerWaalsContact NZ-O 3.14Å; K226-R291 WeakPolarHBondContact CG-O 3.33Å; K226-S293 PolarHBondContact N-OG 2.83Å; K226-R320 PolarHBondContact O-NH2 3.34Å
227M95.7Very high85.3Confident16 Ų1640.2 Ų40.28%0.07920%0.199CC..  trans-78-44.3-178.8-168.1-173.3-173.300112I224 L225 F262 V266 G292 V294 F317 L322I224-M227 HydrophobicContact CB-CB 4.25Å; I224-M227 HydrophobicContact CB-SD 4.12Å; I224-M227 HydrophobicContact CD1-CE 4.45Å; I224-M227 HydrophobicContact CD1-SD 3.72Å; I224-M227 HydrophobicContact CG2-CB 3.81Å; I224-M227 HydrophobicContact CG2-CG 3.98Å; I224-M227 HydrophobicContact CG2-SD 3.84Å; L225-M227 VanDerWaalsContact C-N 3.25Å; L225-M227 PolarHBondContact O-N 3.03Å; M227-F262 HydrophobicContact CB-CZ 4.25Å; M227-F262 HydrophobicContact CG-CE2 3.99Å; M227-F262 HydrophobicContact CG-CZ 3.94Å; M227-F262 HydrophobicContact SD-CE2 4.38Å; M227-F262 HydrophobicContact SD-CZ 4.02Å; M227-V266 HydrophobicContact CE-CB 4.33Å; M227-V266 HydrophobicContact CE-CG1 3.86Å; M227-V266 HydrophobicContact CE-CG2 3.49Å; M227-V266 VanDerWaalsContact CE-CG2 3.49Å; M227-V266 HydrophobicContact SD-CG1 3.95Å; M227-V266 HydrophobicContact SD-CG2 4.13Å; M227-G292 PolarHBondContact N-O 3.01Å; M227-V294 HydrophobicContact CB-CG2 4.01Å; M227-V294 HydrophobicContact SD-CG2 4.14Å; M227-F317 HydrophobicContact CE-CD1 4.41Å; M227-F317 HydrophobicContact CE-CD2 4.05Å; M227-F317 HydrophobicContact CE-CE2 4.37Å; M227-F317 HydrophobicContact CE-CG 4.08Å; M227-F317 HydrophobicContact CG-CD1 4.32Å; M227-L322 HydrophobicContact CE-CD1 4.28Å; M227-L322 HydrophobicContact CE-CD2 4.28Å; M227-L322 HydrophobicContact CG-CD2 3.85Å
228F95.4Very high83.7Confident9 Ų941.7 Ų41.74%0.03921%0.207CC..SBendtrans-82.3122.3171.3-175.7-122.5000109.6H230 L233 L255 Y259 F262 T282 G292 F359F228-H230 HydrophobicContact CE1-CB 4.1Å; F228-H230 HydrophobicContact CZ-CB 3.94Å; F228-L233 HydrophobicContact CD1-CD1 3.6Å; F228-L233 HydrophobicContact CE1-CD1 3.78Å; F228-L255 HydrophobicContact CE1-CD1 4.05Å; F228-L255 HydrophobicContact CZ-CD1 4.28Å; F228-Y259 HydrophobicContact CD1-CD2 4.26Å; F228-Y259 HydrophobicContact CD2-CD2 4.48Å; F228-Y259 HydrophobicContact CE1-CD2 4.09Å; F228-Y259 HydrophobicContact CE2-CD2 4.32Å; F228-Y259 HydrophobicContact CG-CD2 4.46Å; F228-Y259 HydrophobicContact CZ-CD2 4.12Å; F228-Y259 HydrophobicContact CZ-CG 4.46Å; F228-F262 HydrophobicContact CB-CD1 4.14Å; F228-F262 HydrophobicContact CB-CD2 4.4Å; F228-F262 HydrophobicContact CB-CE1 3.75Å; F228-F262 HydrophobicContact CB-CE2 3.99Å; F228-F262 HydrophobicContact CB-CG 4.46Å; F228-F262 HydrophobicContact CB-CZ 3.66Å; F228-F262 HydrophobicContact CD2-CB 3.78Å; F228-F262 AromaticContact CD2-CD1 3.64Å; F228-F262 HydrophobicContact CD2-CD1 3.64Å; F228-F262 AromaticContact CD2-CD2 3.68Å; F228-F262 HydrophobicContact CD2-CD2 3.68Å; F228-F262 HydrophobicContact CD2-CE1 4.15Å; F228-F262 HydrophobicContact CD2-CE2 4.15Å; F228-F262 AromaticContact CD2-CG 3.4Å; F228-F262 HydrophobicContact CD2-CG 3.4Å; F228-F262 HydrophobicContact CD2-CZ 4.37Å; F228-F262 HydrophobicContact CE2-CB 3.85Å; F228-F262 HydrophobicContact CE2-CD1 4.38Å; F228-F262 HydrophobicContact CE2-CG 4.01Å; F228-F262 HydrophobicContact CG-CD1 4.11Å; F228-F262 HydrophobicContact CG-CE1 4.22Å; F228-F262 HydrophobicContact CG-CG 4.27Å; F228-F262 HydrophobicContact CG-CZ 4.45Å; F228-T282 HydrophobicContact CB-CG2 3.63Å; F228-T282 HydrophobicContact CD1-CG2 4.18Å; F228-T282 HydrophobicContact CG-CG2 4.13Å; F228-G292 PolarHBondContact N-O 3.38Å; F228-G292 WeakPolarHBondContact O-CA 3.24Å; F228-F359 AromaticContact CD1-CE2 3.82Å; F228-F359 HydrophobicContact CD1-CE2 3.82Å; F228-F359 HydrophobicContact CD1-CZ 4.06Å; F228-F359 HydrophobicContact CE1-CE1 4.33Å; F228-F359 AromaticContact CE1-CE2 3.83Å; F228-F359 HydrophobicContact CE1-CE2 3.83Å; F228-F359 AromaticContact CE1-CZ 3.58Å; F228-F359 HydrophobicContact CE1-CZ 3.58Å
229T92.3Very high81.7Confident59 Ų5946 Ų4636%0.36223%0.232SC..  trans-129.7120.3178.6560000109.5
230H90.4Very high79.4Confident12 Ų1248.9 Ų48.96%0.05625%0.253CS..  trans-137.4148177.6-168.9-102000108.5F228 H232 L233 D234 L255 D258F228-H230 HydrophobicContact CE1-CB 4.1Å; F228-H230 HydrophobicContact CZ-CB 3.94Å; H230-H232 VanDerWaalsContact C-N 3.29Å; H230-H232 AromaticContact CE1-CD2 3.24Å; H230-H232 PolarHBondContact CE1-CD2 2.97Å; H230-H232 AromaticContact CE1-CG 3.98Å; H230-H232 AromaticContact ND1-CD2 3.39Å; H230-H232 PolarHBondContact ND1-CD2 2.99Å; H230-H232 AromaticContact ND1-CG 3.75Å; H230-H232 PolarHBondContact O-N 2.89Å; H230-L233 HydrophobicContact CB-CD1 4.5Å; H230-L233 HydrophobicContact CB-CG 4.41Å; H230-L233 WeakPolarHBondContact O-CB 3.39Å; H230-L233 PolarHBondContact O-N 2.92Å; H230-D234 PolarHBondContact O-N 3.29Å; H230-L255 HydrophobicContact CB-CD1 3.9Å; H230-L255 WeakPolarHBondContact CE1-CA 3.36Å; H230-L255 VanDerWaalsContact ND1-CD1 3.31Å; H230-L255 WeakPolarHBondContact ND1-CD1 3.34Å; H230-D258 IonicContact CD2-OD2 2.65Å; H230-D258 PolarHBondContact CD2-OD2 3.44Å; H230-D258 VanDerWaalsContact CD2-OD2 3.25Å; H230-D258 IonicContact NE2-OD2 3.13Å; H230-D258 PolarHBondContact NE2-OD2 2.9Å
231Y85.6Confident76.9Confident128 Ų12852.3 Ų52.350%0.50228%0.278SS..Hα-helixtrans-59.4-38.8-173.559-81000112.4L233 D234 L235 V250Y231-L233 PolarHBondContact O-N 2.87Å; Y231-L233 VanDerWaalsContact O-N 3.16Å; Y231-D234 PolarHBondContact O-N 2.85Å; Y231-L235 WeakPolarHBondContact O-CD1 3.16Å; Y231-V250 HydrophobicContact CE2-CG1 3.76Å
232H83.4Confident74.6Confident34 Ų3461 Ų6116%0.15732%0.319CS..Hα-helixtrans-52-35.2171.1-75.4-126.3000113.9H230 D234 V250 D251 E252 L255H230-H232 VanDerWaalsContact C-N 3.29Å; H230-H232 AromaticContact CE1-CD2 3.24Å; H230-H232 PolarHBondContact CE1-CD2 2.97Å; H230-H232 AromaticContact CE1-CG 3.98Å; H230-H232 AromaticContact ND1-CD2 3.39Å; H230-H232 PolarHBondContact ND1-CD2 2.99Å; H230-H232 AromaticContact ND1-CG 3.75Å; H230-H232 PolarHBondContact O-N 2.89Å; H232-D234 VanDerWaalsContact C-N 3.34Å; H232-V250 PolarHBondContact CE1-O 3.2Å; H232-V250 WeakPolarHBondContact NE2-CG1 3.48Å; H232-D251 PolarHBondContact CE1-O 3.37Å; H232-D251 PolarHBondContact NE2-O 2.57Å; H232-E252 PolarHBondContact CE1-N 3.46Å; H232-E252 VanDerWaalsContact CE1-N 3.3Å; H232-L255 HydrophobicContact CB-CD1 4.29Å; H232-L255 HydrophobicContact CB-CD2 4.1Å
233L85.3Confident72.3Confident4 Ų464.2 Ų64.22%0.02134%0.336CS..Hα-helixtrans-79.9-19.6-177.5-62.3-178.2000112.6F228 H230 Y231 L255 R284 L286 R291 F359F228-L233 HydrophobicContact CD1-CD1 3.6Å; F228-L233 HydrophobicContact CE1-CD1 3.78Å; H230-L233 HydrophobicContact CB-CD1 4.5Å; H230-L233 HydrophobicContact CB-CG 4.41Å; H230-L233 WeakPolarHBondContact O-CB 3.39Å; H230-L233 PolarHBondContact O-N 2.92Å; Y231-L233 PolarHBondContact O-N 2.87Å; Y231-L233 VanDerWaalsContact O-N 3.16Å; L233-L255 HydrophobicContact CG-CD1 4.47Å; L233-R284 HydrophobicContact CD2-CG 4.19Å; L233-R284 WeakPolarHBondContact CD2-O 3.44Å; L233-L286 HydrophobicContact CD2-CD2 4.21Å; L233-L286 WeakPolarHBondContact O-CD2 3.16Å; L233-R291 HydrophobicContact CB-CG 4.04Å; L233-R291 WeakPolarHBondContact O-CD 3.44Å; L233-R291 PolarHBondContact O-NE 2.79Å; L233-R291 PolarHBondContact O-NH1 3.09Å; L233-F359 HydrophobicContact CD1-CE2 4.49Å; L233-F359 HydrophobicContact CD1-CZ 4.37Å; L233-F359 HydrophobicContact CD2-CZ 4.48Å
234D77.1Confident69.9Low44 Ų4471.9 Ų71.924%0.23537%0.372CS..Hα-helixtrans-98.42.4-175.3-104.720.4000114.3H230 Y231 H232 T236 K237 R291H230-D234 PolarHBondContact O-N 3.29Å; Y231-D234 PolarHBondContact O-N 2.85Å; H232-D234 VanDerWaalsContact C-N 3.34Å; D234-T236 PolarHBondContact O-N 2.67Å; D234-K237 HydrophobicContact CB-CD 4.46Å; D234-K237 PolarHBondContact O-N 2.71Å; D234-K237 WeakPolarHBondContact OD2-CE 3.42Å; D234-K237 IonicContact OD2-NZ 3.48Å; D234-K237 PolarHBondContact OD2-NZ 2.73Å; D234-R291 WeakPolarHBondContact OD1-CD 3.44Å; D234-R291 IonicContact OD1-CZ 3.75Å; D234-R291 IonicContact OD1-NE 2.9Å; D234-R291 IonicContact OD1-NH1 3.89Å; D234-R291 PolarHBondContact OD1-NH1 3.06Å
235L62.4Low67.7Low86 Ų8677.9 Ų77.945%0.4540%0.404SS..G310 helixtrans-48.4-23.2179.9-109.772.1000115.5Y231 K237 N238Y231-L235 WeakPolarHBondContact O-CD1 3.16Å; L235-K237 PolarHBondContact O-N 2.88Å; L235-N238 PolarHBondContact O-N 3.42Å; L235-N238 VanDerWaalsContact O-N 3.09Å
236T54.9Low65.5Low39 Ų3978 Ų7824%0.23941%0.41CS..G310 helixtrans-66.53.2175.980.90000114.1D234 L286 R291 L351D234-T236 PolarHBondContact O-N 2.67Å; T236-L286 HydrophobicContact CG2-CB 4.29Å; T236-R291 PolarHBondContact OG1-NH2 2.88Å; T236-L351 HydrophobicContact CG2-CD1 3.53Å
237K50.4Low63.3Low138 Ų13876.6 Ų76.660%0.642%0.421SS*.G310 helixtrans-89.4-27.8171.3-71.8171.5172.4170.40112.7D234 L235D234-K237 HydrophobicContact CB-CD 4.46Å; D234-K237 PolarHBondContact O-N 2.71Å; D234-K237 WeakPolarHBondContact OD2-CE 3.42Å; D234-K237 IonicContact OD2-NZ 3.48Å; D234-K237 PolarHBondContact OD2-NZ 2.73Å; L235-K237 PolarHBondContact O-N 2.88Å
238N42.8Very low61.2Low81 Ų8181.7 Ų81.743%0.43345%0.448SS..  trans-97.416.9-172.2-66.762.5000113.1L235 S240 D243L235-N238 PolarHBondContact O-N 3.42Å; L235-N238 VanDerWaalsContact O-N 3.09Å; N238-S240 PolarHBondContact O-N 3.26Å; N238-S240 VanDerWaalsContact O-N 3.14Å; N238-D243 HydrophobicContact CB-CB 4.24Å; N238-D243 PolarHBondContact ND2-OD2 2.9Å
239T45Very low59.1Low122 Ų12290.7 Ų90.775%0.74849%0.49SS*.  trans-76.511.3174.658.40000113.4S241T239-S241 VanDerWaalsContact C-N 3.35Å; T239-S241 PolarHBondContact O-N 3.2Å; T239-S241 VanDerWaalsContact O-N 3.14Å
240S38.9Very low57.2Low75 Ų7590.8 Ų90.852%0.52449%0.49SS..SBendtrans-81.975.4173.251.40000111.3N238 E242N238-S240 PolarHBondContact O-N 3.26Å; N238-S240 VanDerWaalsContact O-N 3.14Å; S240-E242 PolarHBondContact O-N 3.12Å
241S42Very low56Low92 Ų9294.7 Ų94.764%0.64351%0.511SS*.SBendtrans56.5-32.7159.542.80000121.6T239 Q244T239-S241 VanDerWaalsContact C-N 3.35Å; T239-S241 PolarHBondContact O-N 3.2Å; T239-S241 VanDerWaalsContact O-N 3.14Å; S241-Q244 PolarHBondContact O-NE2 3.23Å
242E46.2Very low55.9Low182 Ų18292.9 Ų92.985%0.8551%0.507SS*.SBendtrans-109.5-19.4-162.9-57.9-174.112700113.6S240 Q244S240-E242 PolarHBondContact O-N 3.12Å; E242-Q244 PolarHBondContact O-N 3.43Å
243D48.3Very low56.1Low69 Ų6994.5 Ų94.537%0.36952%0.523SS..  trans-90.933.1-175.7-100.8-33.8000114.4N238 D245 S246N238-D243 HydrophobicContact CB-CB 4.24Å; N238-D243 PolarHBondContact ND2-OD2 2.9Å; D243-D245 VanDerWaalsContact C-N 3.26Å; D243-D245 PolarHBondContact O-N 3.4Å; D243-S246 WeakPolarHBondContact O-CB 3.48Å; D243-S246 PolarHBondContact O-N 3.37Å; D243-S246 PolarHBondContact OD1-OG 3.04Å
244Q47.5Very low56.3Low167 Ų16798.5 Ų98.578%0.7854%0.542SS*.G310 helixtrans-66.1-25.5-170.8-62.6-17543.800113.9S241 E242S241-Q244 PolarHBondContact O-NE2 3.23Å; E242-Q244 PolarHBondContact O-N 3.43Å
245D50.1Low56.9Low127 Ų12796.5 Ų96.568%0.67953%0.531SS*.G310 helixtrans-83-9.7173.6-76.9-29.4000114D243 G247 L248D243-D245 VanDerWaalsContact C-N 3.26Å; D243-D245 PolarHBondContact O-N 3.4Å; D245-G247 PolarHBondContact O-N 3.09Å; D245-L248 HydrophobicContact CB-CD1 3.93Å; D245-L248 WeakPolarHBondContact O-CB 3.39Å; D245-L248 VanDerWaalsContact O-CG 3.3Å; D245-L248 WeakPolarHBondContact O-CG 3.34Å; D245-L248 PolarHBondContact O-N 3.22Å; D245-L248 VanDerWaalsContact O-N 3.12Å
246S47.6Very low58.4Low65 Ų6595.4 Ų95.446%0.45553%0.525SS..G310 helixtrans-68.60.6178.8-75.80000114D243D243-S246 WeakPolarHBondContact O-CB 3.48Å; D243-S246 PolarHBondContact O-N 3.37Å; D243-S246 PolarHBondContact OD1-OG 3.04Å
247G48.6Very low60.2Low59 Ų5996.5 Ų96.561%0.60853%0.534SS*.G310 helixtrans-94.1-2.7171.600000115.7D245 E249D245-G247 PolarHBondContact O-N 3.09Å; G247-E249 PolarHBondContact O-N 3.37Å
248L51.1Low62.3Low124 Ų12492.7 Ų92.765%0.64952%0.521SS*.SBendtrans-75122.1-174.3-65.2172.4000112.8D245 V250D245-L248 HydrophobicContact CB-CD1 3.93Å; D245-L248 WeakPolarHBondContact O-CB 3.39Å; D245-L248 VanDerWaalsContact O-CG 3.3Å; D245-L248 WeakPolarHBondContact O-CG 3.34Å; D245-L248 PolarHBondContact O-N 3.22Å; D245-L248 VanDerWaalsContact O-N 3.12Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 2.98Å
249E50.2Low64.8Low197 Ų19788.9 Ų88.992%0.92150%0.5SS*.  trans40.141.3170.4-61.8-159.9155.200117.4G247 D251G247-E249 PolarHBondContact O-N 3.37Å; E249-D251 PolarHBondContact O-N 3.32Å; E249-D251 VanDerWaalsContact O-N 3.12Å
250V53.8Low67.2Low61 Ų6186.9 Ų86.937%0.3748%0.482SS..  trans-74.5105.7175.7-158.60000110.3Y231 H232 L248 E252Y231-V250 HydrophobicContact CE2-CG1 3.76Å; H232-V250 PolarHBondContact CE1-O 3.2Å; H232-V250 WeakPolarHBondContact NE2-CG1 3.48Å; L248-V250 VanDerWaalsContact C-N 3.29Å; L248-V250 PolarHBondContact O-N 2.98Å; V250-E252 PolarHBondContact O-N 2.83Å
251D64.2Low69.9Low94 Ų9490.3 Ų90.350%0.50349%0.49SS..  trans-56.9119-171.9-177.616.4000113.9H232 E249 S253 Q254H232-D251 PolarHBondContact CE1-O 3.37Å; H232-D251 PolarHBondContact NE2-O 2.57Å; E249-D251 PolarHBondContact O-N 3.32Å; E249-D251 VanDerWaalsContact O-N 3.12Å; D251-S253 PolarHBondContact O-N 3.3Å; D251-S253 VanDerWaalsContact OD1-CB 3.27Å; D251-S253 WeakPolarHBondContact OD1-CB 3.32Å; D251-S253 PolarHBondContact OD1-N 2.9Å; D251-S253 PolarHBondContact OD1-OG 3.07Å; D251-S253 WeakPolarHBondContact OD2-CB 3.47Å; D251-S253 PolarHBondContact OD2-OG 3.37Å; D251-Q254 PolarHBondContact O-N 3.03Å
252E84Confident72.5Confident90 Ų9086.7 Ų86.742%0.42146%0.463SS..Hα-helixtrans-62.5-24.2174-178.1172.7-150.800112.1H232 V250 Q254 L255 L256 R284H232-E252 PolarHBondContact CE1-N 3.46Å; H232-E252 VanDerWaalsContact CE1-N 3.3Å; V250-E252 PolarHBondContact O-N 2.83Å; E252-Q254 VanDerWaalsContact C-N 3.27Å; E252-Q254 PolarHBondContact O-N 3.28Å; E252-L255 PolarHBondContact O-N 3.41Å; E252-L256 HydrophobicContact CG-CD1 3.98Å; E252-L256 HydrophobicContact CG-CG 4.15Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 3.47Å; E252-R284 IonicContact OE1-CZ 3.75Å; E252-R284 IonicContact OE1-NH1 2.74Å; E252-R284 PolarHBondContact OE1-NH1 2.46Å; E252-R284 IonicContact OE1-NH2 2.63Å; E252-R284 PolarHBondContact OE1-NH2 3.24Å
253S86.9Confident74.9Confident69 Ų6978.6 Ų78.648%0.48342%0.424SS..Hα-helixtrans-63.5-31.3179.699.40000112.9D251 S257D251-S253 PolarHBondContact O-N 3.3Å; D251-S253 VanDerWaalsContact OD1-CB 3.27Å; D251-S253 WeakPolarHBondContact OD1-CB 3.32Å; D251-S253 PolarHBondContact OD1-N 2.9Å; D251-S253 PolarHBondContact OD1-OG 3.07Å; D251-S253 WeakPolarHBondContact OD2-CB 3.47Å; D251-S253 PolarHBondContact OD2-OG 3.37Å; S253-S257 WeakPolarHBondContact O-CB 3.42Å; S253-S257 PolarHBondContact O-N 2.87Å
254Q89.5Confident77.2Confident88 Ų8879.9 Ų79.941%0.41143%0.428SS..Hα-helixtrans-69.5-47174.2-167.465.75600111.1D251 E252 L256 S257 D258D251-Q254 PolarHBondContact O-N 3.03Å; E252-Q254 VanDerWaalsContact C-N 3.27Å; E252-Q254 PolarHBondContact O-N 3.28Å; Q254-L256 PolarHBondContact O-N 3.11Å; Q254-S257 WeakPolarHBondContact O-CB 3.27Å; Q254-S257 PolarHBondContact O-N 2.97Å; Q254-D258 PolarHBondContact NE2-OD1 3.12Å; Q254-D258 PolarHBondContact O-N 3Å
255L90.9Very high79.5Confident2 Ų276 Ų761%0.0141%0.412CS..Hα-helixtrans-55.8-39.1174.9169.764.7000112.3F228 H230 H232 L233 E252 Y259 F359F228-L255 HydrophobicContact CE1-CD1 4.05Å; F228-L255 HydrophobicContact CZ-CD1 4.28Å; H230-L255 HydrophobicContact CB-CD1 3.9Å; H230-L255 WeakPolarHBondContact CE1-CA 3.36Å; H230-L255 VanDerWaalsContact ND1-CD1 3.31Å; H230-L255 WeakPolarHBondContact ND1-CD1 3.34Å; H232-L255 HydrophobicContact CB-CD1 4.29Å; H232-L255 HydrophobicContact CB-CD2 4.1Å; L233-L255 HydrophobicContact CG-CD1 4.47Å; E252-L255 PolarHBondContact O-N 3.41Å; L255-Y259 VanDerWaalsContact O-CB 3.22Å; L255-Y259 WeakPolarHBondContact O-CB 3.38Å; L255-Y259 PolarHBondContact O-N 3.16Å; L255-Y259 VanDerWaalsContact O-N 3.08Å; L255-F359 HydrophobicContact CD1-CE1 4.12Å; L255-F359 HydrophobicContact CD1-CZ 4.04Å; L255-F359 HydrophobicContact CD2-CE1 4.43Å; L255-F359 HydrophobicContact CG-CE1 4.14Å
256L92.8Very high81.7Confident62 Ų6270.1 Ų70.133%0.32538%0.381SS..Hα-helixtrans-75.4-33.4176.8-65.9175.1000112.7E252 Q254 H260 F359E252-L256 HydrophobicContact CG-CD1 3.98Å; E252-L256 HydrophobicContact CG-CG 4.15Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 3.47Å; Q254-L256 PolarHBondContact O-N 3.11Å; L256-H260 WeakPolarHBondContact O-CB 3.49Å; L256-H260 PolarHBondContact O-CD2 3.39Å; L256-H260 VanDerWaalsContact O-CD2 3.26Å; L256-H260 PolarHBondContact O-N 3.03Å; L256-F359 HydrophobicContact CD2-CD1 4.3Å
257S93.5Very high84Confident63 Ų6370.5 Ų70.544%0.44137%0.373SS..Hα-helixtrans-65-52.1174.2-171.60000111.5S253 Q254 Y259 H260 E261S253-S257 WeakPolarHBondContact O-CB 3.42Å; S253-S257 PolarHBondContact O-N 2.87Å; Q254-S257 WeakPolarHBondContact O-CB 3.27Å; Q254-S257 PolarHBondContact O-N 2.97Å; S257-Y259 VanDerWaalsContact C-N 3.26Å; S257-Y259 PolarHBondContact O-N 2.94Å; S257-H260 WeakPolarHBondContact O-CB 3.43Å; S257-H260 PolarHBondContact O-N 3.27Å; S257-H260 VanDerWaalsContact O-N 3.07Å; S257-E261 PolarHBondContact O-N 3.37Å
258D93.9Very high86.2Confident58 Ų5873.4 Ų73.431%0.3137%0.372SS..Hα-helixtrans-61.5-37.2177.2-7434000111H230 Q254 F262H230-D258 IonicContact CD2-OD2 2.65Å; H230-D258 PolarHBondContact CD2-OD2 3.44Å; H230-D258 VanDerWaalsContact CD2-OD2 3.25Å; H230-D258 IonicContact NE2-OD2 3.13Å; H230-D258 PolarHBondContact NE2-OD2 2.9Å; Q254-D258 PolarHBondContact NE2-OD1 3.12Å; Q254-D258 PolarHBondContact O-N 3Å; D258-F262 VanDerWaalsContact O-CB 3.24Å; D258-F262 WeakPolarHBondContact O-CB 3.28Å; D258-F262 PolarHBondContact O-N 3.32Å
259Y96.2Very high88.3Confident0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-64.4-40.8172.6178.8-109.8000112.9F228 L255 S257 F262 Y263 T282 F359 L360 N361F228-Y259 HydrophobicContact CD1-CD2 4.26Å; F228-Y259 HydrophobicContact CD2-CD2 4.48Å; F228-Y259 HydrophobicContact CE1-CD2 4.09Å; F228-Y259 HydrophobicContact CE2-CD2 4.32Å; F228-Y259 HydrophobicContact CG-CD2 4.46Å; F228-Y259 HydrophobicContact CZ-CD2 4.12Å; F228-Y259 HydrophobicContact CZ-CG 4.46Å; L255-Y259 VanDerWaalsContact O-CB 3.22Å; L255-Y259 WeakPolarHBondContact O-CB 3.38Å; L255-Y259 PolarHBondContact O-N 3.16Å; L255-Y259 VanDerWaalsContact O-N 3.08Å; S257-Y259 VanDerWaalsContact C-N 3.26Å; S257-Y259 PolarHBondContact O-N 2.94Å; Y259-F262 HydrophobicContact CD2-CD1 4.18Å; Y259-F262 HydrophobicContact CE2-CD1 4.07Å; Y259-Y263 WeakPolarHBondContact O-CB 3.47Å; Y259-Y263 PolarHBondContact O-N 3.14Å; Y259-Y263 WeakPolarHBondContact OH-CD2 3.38Å; Y259-T282 HydrophobicContact CD2-CG2 4.35Å; Y259-T282 VanDerWaalsContact CE2-CB 3.43Å; Y259-T282 HydrophobicContact CE2-CG2 3.75Å; Y259-T282 WeakPolarHBondContact CE2-OG1 3.4Å; Y259-T282 PolarHBondContact OH-OG1 3.48Å; Y259-F359 HydrophobicContact CD1-CB 3.65Å; Y259-F359 AromaticContact CD1-CD1 3.75Å; Y259-F359 HydrophobicContact CD1-CD1 3.75Å; Y259-F359 AromaticContact CD1-CG 3.8Å; Y259-F359 HydrophobicContact CD1-CG 3.8Å; Y259-F359 HydrophobicContact CD2-CB 4.26Å; Y259-F359 HydrophobicContact CD2-CD1 4.14Å; Y259-F359 AromaticContact CD2-CD2 3.94Å; Y259-F359 HydrophobicContact CD2-CD2 3.94Å; Y259-F359 HydrophobicContact CD2-CE1 4.5Å; Y259-F359 HydrophobicContact CD2-CE2 4.32Å; Y259-F359 AromaticContact CD2-CG 3.86Å; Y259-F359 HydrophobicContact CD2-CG 3.86Å; Y259-F359 HydrophobicContact CE1-CB 3.27Å; Y259-F359 HydrophobicContact CE1-CD1 4.29Å; Y259-F359 AromaticContact CE1-CG 3.89Å; Y259-F359 HydrophobicContact CE1-CG 3.89Å; Y259-F359 HydrophobicContact CE2-CB 3.96Å; Y259-F359 AromaticContact CE2-CD2 3.99Å; Y259-F359 HydrophobicContact CE2-CD2 3.99Å; Y259-F359 AromaticContact CE2-CG 3.97Å; Y259-F359 HydrophobicContact CE2-CG 3.97Å; Y259-F359 HydrophobicContact CG-CB 4.14Å; Y259-F359 AromaticContact CG-CD1 3.68Å; Y259-F359 HydrophobicContact CG-CD1 3.68Å; Y259-F359 HydrophobicContact CG-CD2 4.31Å; Y259-F359 HydrophobicContact CG-CE1 4.13Å; Y259-F359 AromaticContact CG-CG 3.79Å; Y259-F359 HydrophobicContact CG-CG 3.79Å; Y259-F359 VanDerWaalsContact CZ-CB 3.43Å; Y259-F359 AromaticContact CZ-CG 3.97Å; Y259-L360 WeakPolarHBondContact CE1-O 3.36Å; Y259-N361 PolarHBondContact OH-OD1 2.76Å
260H95.7Very high90.5Very high81 Ų8162.4 Ų62.438%0.37532%0.317SS..Hα-helixtrans-65.8-42177.6-74.2-174.5000112.1L256 S257 Y263 H264 P362L256-H260 WeakPolarHBondContact O-CB 3.49Å; L256-H260 PolarHBondContact O-CD2 3.39Å; L256-H260 VanDerWaalsContact O-CD2 3.26Å; L256-H260 PolarHBondContact O-N 3.03Å; S257-H260 WeakPolarHBondContact O-CB 3.43Å; S257-H260 PolarHBondContact O-N 3.27Å; S257-H260 VanDerWaalsContact O-N 3.07Å; H260-Y263 PolarHBondContact O-N 3.24Å; H260-H264 PolarHBondContact O-CD2 3.02Å; H260-H264 PolarHBondContact O-N 2.67Å; H260-H264 VanDerWaalsContact O-N 3.09Å; H260-P362 HydrophobicContact CB-CG 4.34Å
261E95.7Very high92.5Very high147 Ų14762.1 Ų62.169%0.68731%0.312SS*.Hα-helixtrans-63.1-50.5176-174.3164.8178.700111.2S257 Y263 H264 D265S257-E261 PolarHBondContact O-N 3.37Å; E261-Y263 VanDerWaalsContact C-N 3.32Å; E261-Y263 PolarHBondContact O-N 3.39Å; E261-H264 PolarHBondContact O-N 3.03Å; E261-D265 PolarHBondContact O-N 2.93Å; E261-D265 VanDerWaalsContact O-N 3.08Å
262F96.8Very high93.9Very high16 Ų1662.3 Ų62.37%0.0732%0.321CS..Hα-helixtrans-53.3-46.5172.8170.6-92.7000112.7M227 F228 D258 Y259 H264 D265 V266 T282 V294 F317M227-F262 HydrophobicContact CB-CZ 4.25Å; M227-F262 HydrophobicContact CG-CE2 3.99Å; M227-F262 HydrophobicContact CG-CZ 3.94Å; M227-F262 HydrophobicContact SD-CE2 4.38Å; M227-F262 HydrophobicContact SD-CZ 4.02Å; F228-F262 HydrophobicContact CB-CD1 4.14Å; F228-F262 HydrophobicContact CB-CD2 4.4Å; F228-F262 HydrophobicContact CB-CE1 3.75Å; F228-F262 HydrophobicContact CB-CE2 3.99Å; F228-F262 HydrophobicContact CB-CG 4.46Å; F228-F262 HydrophobicContact CB-CZ 3.66Å; F228-F262 HydrophobicContact CD2-CB 3.78Å; F228-F262 AromaticContact CD2-CD1 3.64Å; F228-F262 HydrophobicContact CD2-CD1 3.64Å; F228-F262 AromaticContact CD2-CD2 3.68Å; F228-F262 HydrophobicContact CD2-CD2 3.68Å; F228-F262 HydrophobicContact CD2-CE1 4.15Å; F228-F262 HydrophobicContact CD2-CE2 4.15Å; F228-F262 AromaticContact CD2-CG 3.4Å; F228-F262 HydrophobicContact CD2-CG 3.4Å; F228-F262 HydrophobicContact CD2-CZ 4.37Å; F228-F262 HydrophobicContact CE2-CB 3.85Å; F228-F262 HydrophobicContact CE2-CD1 4.38Å; F228-F262 HydrophobicContact CE2-CG 4.01Å; F228-F262 HydrophobicContact CG-CD1 4.11Å; F228-F262 HydrophobicContact CG-CE1 4.22Å; F228-F262 HydrophobicContact CG-CG 4.27Å; F228-F262 HydrophobicContact CG-CZ 4.45Å; D258-F262 VanDerWaalsContact O-CB 3.24Å; D258-F262 WeakPolarHBondContact O-CB 3.28Å; D258-F262 PolarHBondContact O-N 3.32Å; Y259-F262 HydrophobicContact CD2-CD1 4.18Å; Y259-F262 HydrophobicContact CE2-CD1 4.07Å; F262-H264 VanDerWaalsContact C-N 3.33Å; F262-H264 PolarHBondContact O-N 3.24Å; F262-D265 PolarHBondContact O-N 3.41Å; F262-V266 HydrophobicContact CD2-CG2 3.93Å; F262-V266 HydrophobicContact CE1-CG2 4.22Å; F262-V266 HydrophobicContact CE2-CG2 3.59Å; F262-V266 HydrophobicContact CG-CG2 4.41Å; F262-V266 HydrophobicContact CZ-CB 4.47Å; F262-V266 HydrophobicContact CZ-CG2 3.74Å; F262-V266 WeakPolarHBondContact O-CB 3.37Å; F262-V266 WeakPolarHBondContact O-CG2 3.26Å; F262-V266 PolarHBondContact O-N 2.98Å; F262-T282 HydrophobicContact CE1-CG2 4.11Å; F262-V294 HydrophobicContact CE1-CG2 3.9Å; F262-V294 HydrophobicContact CZ-CG2 3.75Å; F262-F317 AromaticContact CD2-CE1 3.72Å; F262-F317 HydrophobicContact CD2-CE1 3.72Å; F262-F317 AromaticContact CD2-CZ 3.68Å; F262-F317 HydrophobicContact CD2-CZ 3.68Å; F262-F317 HydrophobicContact CE2-CD1 4.47Å; F262-F317 AromaticContact CE2-CE1 3.57Å; F262-F317 HydrophobicContact CE2-CE1 3.57Å; F262-F317 AromaticContact CE2-CZ 3.79Å; F262-F317 HydrophobicContact CE2-CZ 3.79Å
263Y96.8Very high94.3Very high12 Ų1262.2 Ų62.25%0.04732%0.316CS..Hα-helixtrans-60.5-44.2-179.3175.3-88.7000111.4Y259 H260 E261 R267 I280 N361 P362Y259-Y263 WeakPolarHBondContact O-CB 3.47Å; Y259-Y263 PolarHBondContact O-N 3.14Å; Y259-Y263 WeakPolarHBondContact OH-CD2 3.38Å; H260-Y263 PolarHBondContact O-N 3.24Å; E261-Y263 VanDerWaalsContact C-N 3.32Å; E261-Y263 PolarHBondContact O-N 3.39Å; Y263-R267 HydrophobicContact CE1-CB 4.48Å; Y263-R267 WeakPolarHBondContact O-CB 3.37Å; Y263-R267 PolarHBondContact O-N 2.72Å; Y263-R267 PolarHBondContact OH-NH1 3.12Å; Y263-I280 HydrophobicContact CE2-CG1 4.47Å; Y263-I280 HydrophobicContact CE2-CG2 3.69Å; Y263-N361 HydrophobicContact CE2-CB 3.79Å; Y263-N361 WeakPolarHBondContact CE2-OD1 3.33Å; Y263-P362 HydrophobicContact CD1-CG 3.55Å; Y263-P362 HydrophobicContact CE1-CG 4.05Å; Y263-P362 HydrophobicContact CG-CG 4.02Å
264H96.2Very high94.7Very high96 Ų9660.1 Ų60.144%0.44430%0.298SS..Hα-helixtrans-66.4-47.8-179.9-77.5-60.3000111.6H260 E261 F262 R267 M268H260-H264 PolarHBondContact O-CD2 3.02Å; H260-H264 PolarHBondContact O-N 2.67Å; H260-H264 VanDerWaalsContact O-N 3.09Å; E261-H264 PolarHBondContact O-N 3.03Å; F262-H264 VanDerWaalsContact C-N 3.33Å; F262-H264 PolarHBondContact O-N 3.24Å; H264-R267 PolarHBondContact O-N 3.22Å; H264-M268 HydrophobicContact CB-CE 4.48Å; H264-M268 WeakPolarHBondContact O-CB 3.46Å; H264-M268 WeakPolarHBondContact O-CE 3.42Å; H264-M268 VanDerWaalsContact O-CG 3.23Å; H264-M268 WeakPolarHBondContact O-CG 3.33Å; H264-M268 PolarHBondContact O-N 3.29Å
265D95.9Very high94.8Very high84 Ų8457.4 Ų57.445%0.44929%0.294SS..Hα-helixtrans-59.5-56179.5-174.547.4000111.9E261 F262 R267 M268 E269 F317E261-D265 PolarHBondContact O-N 2.93Å; E261-D265 VanDerWaalsContact O-N 3.08Å; F262-D265 PolarHBondContact O-N 3.41Å; D265-R267 VanDerWaalsContact C-N 3.34Å; D265-R267 PolarHBondContact O-N 3.45Å; D265-M268 PolarHBondContact O-N 2.94Å; D265-E269 PolarHBondContact O-N 2.89Å; D265-E269 VanDerWaalsContact O-N 3.1Å; D265-F317 WeakPolarHBondContact OD2-CE2 3.17Å
266V95.8Very high94.9Very high5 Ų564.1 Ų64.13%0.0332%0.323CS..Hα-helixtrans-62.4-39.7-179.3173.90000111.8M227 F262 L270 I280 F317M227-V266 HydrophobicContact CE-CB 4.33Å; M227-V266 HydrophobicContact CE-CG1 3.86Å; M227-V266 HydrophobicContact CE-CG2 3.49Å; M227-V266 VanDerWaalsContact CE-CG2 3.49Å; M227-V266 HydrophobicContact SD-CG1 3.95Å; M227-V266 HydrophobicContact SD-CG2 4.13Å; F262-V266 HydrophobicContact CD2-CG2 3.93Å; F262-V266 HydrophobicContact CE1-CG2 4.22Å; F262-V266 HydrophobicContact CE2-CG2 3.59Å; F262-V266 HydrophobicContact CG-CG2 4.41Å; F262-V266 HydrophobicContact CZ-CB 4.47Å; F262-V266 HydrophobicContact CZ-CG2 3.74Å; F262-V266 WeakPolarHBondContact O-CB 3.37Å; F262-V266 WeakPolarHBondContact O-CG2 3.26Å; F262-V266 PolarHBondContact O-N 2.98Å; V266-L270 HydrophobicContact CG1-CD1 3.69Å; V266-L270 HydrophobicContact CG1-CG 4.34Å; V266-L270 WeakPolarHBondContact O-CB 3.33Å; V266-L270 WeakPolarHBondContact O-CD1 3.47Å; V266-L270 WeakPolarHBondContact O-CG 3.27Å; V266-L270 PolarHBondContact O-N 2.95Å; V266-L270 VanDerWaalsContact O-N 3.13Å; V266-I280 HydrophobicContact CG1-CD1 4.43Å; V266-F317 HydrophobicContact CG2-CE2 3.98Å; V266-F317 HydrophobicContact CG2-CZ 3.98Å
267R95.4Very high95Very high73 Ų7361.3 Ų61.328%0.27531%0.308SS..Hα-helixtrans-65.7-41.3177.2179.2170.3175.6156.78.9112Y263 H264 D265 L270 E271 I277Y263-R267 HydrophobicContact CE1-CB 4.48Å; Y263-R267 WeakPolarHBondContact O-CB 3.37Å; Y263-R267 PolarHBondContact O-N 2.72Å; Y263-R267 PolarHBondContact OH-NH1 3.12Å; H264-R267 PolarHBondContact O-N 3.22Å; D265-R267 VanDerWaalsContact C-N 3.34Å; D265-R267 PolarHBondContact O-N 3.45Å; R267-L270 PolarHBondContact O-N 2.88Å; R267-E271 HydrophobicContact CG-CG 4.22Å; R267-E271 WeakPolarHBondContact CG-OE2 3.44Å; R267-E271 IonicContact CZ-OE1 3.33Å; R267-E271 IonicContact CZ-OE2 3.64Å; R267-E271 VanDerWaalsContact NE-CD 3.31Å; R267-E271 IonicContact NE-OE1 3.34Å; R267-E271 PolarHBondContact NE-OE1 3.3Å; R267-E271 IonicContact NE-OE2 2.67Å; R267-E271 PolarHBondContact NE-OE2 2.9Å; R267-E271 IonicContact NH2-OE1 3.25Å; R267-E271 PolarHBondContact NH2-OE1 3.36Å; R267-E271 IonicContact NH2-OE2 3.75Å; R267-E271 PolarHBondContact NH2-OE2 2.7Å; R267-E271 WeakPolarHBondContact O-CB 3.13Å; R267-E271 WeakPolarHBondContact O-CG 3.39Å; R267-E271 PolarHBondContact O-N 3.49Å; R267-I277 HydrophobicContact CG-CD1 4.32Å
268M94.8Very high94.9Very high120 Ų12059.6 Ų59.659%0.59130%0.296SS*.Hα-helixtrans-66.7-46.1-179.2-73.5-175.6-58.200112H264 D265 L270 E271 S272H264-M268 HydrophobicContact CB-CE 4.48Å; H264-M268 WeakPolarHBondContact O-CB 3.46Å; H264-M268 WeakPolarHBondContact O-CE 3.42Å; H264-M268 VanDerWaalsContact O-CG 3.23Å; H264-M268 WeakPolarHBondContact O-CG 3.33Å; H264-M268 PolarHBondContact O-N 3.29Å; D265-M268 PolarHBondContact O-N 2.94Å; M268-L270 VanDerWaalsContact C-N 3.34Å; M268-L270 PolarHBondContact O-N 2.87Å; M268-E271 PolarHBondContact O-N 3.2Å; M268-S272 WeakPolarHBondContact O-CB 3.46Å; M268-S272 PolarHBondContact O-N 3.4Å
269E95.7Very high94.8Very high84 Ų8457.1 Ų57.139%0.39328%0.283SS..Hα-helixtrans-60.2-42.4175.8168.664.2179.300111.8D265 R273D265-E269 PolarHBondContact O-N 2.89Å; D265-E269 VanDerWaalsContact O-N 3.1Å; E269-R273 VanDerWaalsContact CD-CD 3.44Å; E269-R273 PolarHBondContact O-N 3.2Å; E269-R273 WeakPolarHBondContact OE1-CD 3.31Å; E269-R273 IonicContact OE1-CZ 3.47Å; E269-R273 IonicContact OE1-NE 3.63Å; E269-R273 IonicContact OE1-NH1 3.31Å; E269-R273 PolarHBondContact OE1-NH1 3.36Å; E269-R273 WeakPolarHBondContact OE2-CD 3.44Å
270L95.5Very high94.8Very high5 Ų557.3 Ų57.33%0.02628%0.284CS..Hα-helixtrans-69.6-46.1178.2-69.6172000112.9L222 V266 R267 M268 S272 R273 W274 I277 I280 V296 F298L222-L270 HydrophobicContact CD2-CD2 4.41Å; V266-L270 HydrophobicContact CG1-CD1 3.69Å; V266-L270 HydrophobicContact CG1-CG 4.34Å; V266-L270 WeakPolarHBondContact O-CB 3.33Å; V266-L270 WeakPolarHBondContact O-CD1 3.47Å; V266-L270 WeakPolarHBondContact O-CG 3.27Å; V266-L270 PolarHBondContact O-N 2.95Å; V266-L270 VanDerWaalsContact O-N 3.13Å; R267-L270 PolarHBondContact O-N 2.88Å; M268-L270 VanDerWaalsContact C-N 3.34Å; M268-L270 PolarHBondContact O-N 2.87Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.4Å; L270-R273 PolarHBondContact O-N 3.43Å; L270-W274 HydrophobicContact CD2-CE3 4Å; L270-W274 HydrophobicContact CD2-CH2 4.49Å; L270-W274 HydrophobicContact CD2-CZ3 3.7Å; L270-W274 PolarHBondContact O-N 2.9Å; L270-W274 VanDerWaalsContact O-N 3.14Å; L270-I277 HydrophobicContact CB-CD1 3.71Å; L270-I277 HydrophobicContact CD1-CD1 4.16Å; L270-I280 HydrophobicContact CD1-CD1 4.29Å; L270-V296 HydrophobicContact CD1-CG1 4.36Å; L270-V296 HydrophobicContact CD1-CG2 3.88Å; L270-F298 HydrophobicContact CD2-CZ 4.32Å
271E95.7Very high94.8Very high55 Ų5553.7 Ų53.726%0.25727%0.267SS..Hα-helixtrans-68.6-31.3178.6-74.5-170.9135.100112.5R267 M268 G275 I277R267-E271 HydrophobicContact CG-CG 4.22Å; R267-E271 WeakPolarHBondContact CG-OE2 3.44Å; R267-E271 IonicContact CZ-OE1 3.33Å; R267-E271 IonicContact CZ-OE2 3.64Å; R267-E271 VanDerWaalsContact NE-CD 3.31Å; R267-E271 IonicContact NE-OE1 3.34Å; R267-E271 PolarHBondContact NE-OE1 3.3Å; R267-E271 IonicContact NE-OE2 2.67Å; R267-E271 PolarHBondContact NE-OE2 2.9Å; R267-E271 IonicContact NH2-OE1 3.25Å; R267-E271 PolarHBondContact NH2-OE1 3.36Å; R267-E271 IonicContact NH2-OE2 3.75Å; R267-E271 PolarHBondContact NH2-OE2 2.7Å; R267-E271 WeakPolarHBondContact O-CB 3.13Å; R267-E271 WeakPolarHBondContact O-CG 3.39Å; R267-E271 PolarHBondContact O-N 3.49Å; M268-E271 PolarHBondContact O-N 3.2Å; E271-G275 CarbonylContact O-C 3.53Å; E271-G275 VanDerWaalsContact O-CA 3.23Å; E271-G275 WeakPolarHBondContact O-CA 3.35Å; E271-G275 PolarHBondContact O-N 3.06Å; E271-I277 HydrophobicContact CG-CB 3.99Å; E271-I277 HydrophobicContact CG-CD1 3.71Å; E271-I277 HydrophobicContact CG-CG1 3.63Å; E271-I277 PolarHBondContact OE1-N 2.9Å
272S94.9Very high94.8Very high99 Ų9946.7 Ų46.769%0.69223%0.234SC*.Hα-helixtrans-63.1-41175.3179.80000112.6M268 L270M268-S272 WeakPolarHBondContact O-CB 3.46Å; M268-S272 PolarHBondContact O-N 3.4Å; L270-S272 VanDerWaalsContact C-N 3.32Å; L270-S272 PolarHBondContact O-N 3.4Å
273R93Very high94.8Very high87 Ų8745.9 Ų45.933%0.32823%0.231SC..Hα-helixtrans-102.7-30.4-166-69.7179.260.3-141.4-18115.8E269 L270 R315E269-R273 VanDerWaalsContact CD-CD 3.44Å; E269-R273 PolarHBondContact O-N 3.2Å; E269-R273 WeakPolarHBondContact OE1-CD 3.31Å; E269-R273 IonicContact OE1-CZ 3.47Å; E269-R273 IonicContact OE1-NE 3.63Å; E269-R273 IonicContact OE1-NH1 3.31Å; E269-R273 PolarHBondContact OE1-NH1 3.36Å; E269-R273 WeakPolarHBondContact OE2-CD 3.44Å; L270-R273 PolarHBondContact O-N 3.43Å; R273-R315 VanDerWaalsContact NH1-NH1 3.11Å
274W93.6Very high94.7Very high25 Ų2547.9 Ų47.910%0.09524%0.238CC..Hα-helixtrans-117.70176.7-57.4-92.8000113.2L270 F298 D307 A308 A311 C312L270-W274 HydrophobicContact CD2-CE3 4Å; L270-W274 HydrophobicContact CD2-CH2 4.49Å; L270-W274 HydrophobicContact CD2-CZ3 3.7Å; L270-W274 PolarHBondContact O-N 2.9Å; L270-W274 VanDerWaalsContact O-N 3.14Å; W274-F298 HydrophobicContact CB-CD1 4Å; W274-F298 HydrophobicContact CB-CE1 3.72Å; W274-F298 HydrophobicContact CB-CZ 4.28Å; W274-F298 HydrophobicContact CG-CE1 4.45Å; W274-D307 PolarHBondContact NE1-O 3.41Å; W274-A308 HydrophobicContact CD2-CB 3.73Å; W274-A308 VanDerWaalsContact CE2-CA 3.47Å; W274-A308 HydrophobicContact CE3-CB 4.39Å; W274-A308 HydrophobicContact CG-CB 3.86Å; W274-A308 HydrophobicContact CZ2-CB 4.08Å; W274-A308 VanDerWaalsContact NE1-CA 3.25Å; W274-A311 HydrophobicContact CZ2-CB 4.01Å; W274-C312 WeakPolarHBondContact CH2-SG 3.41Å
275G92.1Very high94.6Very high31 Ų3143.3 Ų43.332%0.3222%0.217SC..  trans87.2-175.8177.500000114E271 I277E271-G275 CarbonylContact O-C 3.53Å; E271-G275 VanDerWaalsContact O-CA 3.23Å; E271-G275 WeakPolarHBondContact O-CA 3.35Å; E271-G275 PolarHBondContact O-N 3.06Å; G275-I277 PolarHBondContact O-N 3.44Å
276K94Very high94.5Very high144 Ų14441.3 Ų41.363%0.62621%0.206SC*.  trans-47.7117-170.1-172.2-177.2-175.5-178.60113.1S299K276-S299 WeakPolarHBondContact O-CB 3.32Å; K276-S299 PolarHBondContact O-N 3.44Å; K276-S299 PolarHBondContact O-OG 3.09Å
277I93.6Very high94.3Very high2 Ų241.3 Ų41.31%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-69.9135.7174-70.8171.8000109.3R267 L270 E271 G275 V279 I280 V296 F298 R379R267-I277 HydrophobicContact CG-CD1 4.32Å; L270-I277 HydrophobicContact CB-CD1 3.71Å; L270-I277 HydrophobicContact CD1-CD1 4.16Å; E271-I277 HydrophobicContact CG-CB 3.99Å; E271-I277 HydrophobicContact CG-CD1 3.71Å; E271-I277 HydrophobicContact CG-CG1 3.63Å; E271-I277 PolarHBondContact OE1-N 2.9Å; G275-I277 PolarHBondContact O-N 3.44Å; I277-V279 VanDerWaalsContact CG2-C 3.43Å; I277-V279 WeakPolarHBondContact CG2-O 3.32Å; I277-I280 HydrophobicContact CG2-CB 4Å; I277-I280 HydrophobicContact CG2-CG2 4.05Å; I277-V296 HydrophobicContact CD1-CG1 3.91Å; I277-V296 HydrophobicContact CG1-CG1 3.92Å; I277-V296 HydrophobicContact CG2-CG1 4.02Å; I277-F298 HydrophobicContact CG1-CD1 4.2Å; I277-F298 HydrophobicContact CG1-CE1 4.12Å; I277-R379 VanDerWaalsContact O-CZ 3.32Å; I277-R379 PolarHBondContact O-NH1 2.9Å; I277-R379 PolarHBondContact O-NH2 3.03Å
278S90.9Very high94.2Very high28 Ų2842.6 Ų42.620%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-73.9-58.1167.7-163.70000109.9E297 S299 R379S278-E297 WeakPolarHBondContact CA-O 3.38Å; S278-E297 VanDerWaalsContact CB-O 3.27Å; S278-E297 WeakPolarHBondContact CB-O 3.33Å; S278-E297 PolarHBondContact N-O 2.83Å; S278-S299 PolarHBondContact N-OG 2.98Å; S278-R379 WeakPolarHBondContact O-CB 3.32Å; S278-R379 WeakPolarHBondContact O-CG 3.49Å; S278-R379 PolarHBondContact O-NH1 3.28Å
279V92.8Very high94.1Very high5 Ų538.4 Ų38.43%0.0320%0.198CC..EExtended strand (participates in β ladder)trans-142.7135.8-174.2-172.30000109.2I277 R281 V296 E297 W333 G378 R379I277-V279 VanDerWaalsContact CG2-C 3.43Å; I277-V279 WeakPolarHBondContact CG2-O 3.32Å; V279-R281 HydrophobicContact CG1-CG 3.86Å; V279-V296 CarbonylContact O-C 3.59Å; V279-V296 WeakPolarHBondContact O-CA 3.41Å; V279-E297 HydrophobicContact CB-CB 4.04Å; V279-E297 HydrophobicContact CG2-CB 4.44Å; V279-E297 WeakPolarHBondContact CG2-OE2 3.33Å; V279-E297 PolarHBondContact N-O 3.13Å; V279-E297 VanDerWaalsContact N-O 3.15Å; V279-E297 PolarHBondContact O-N 2.94Å; V279-W333 HydrophobicContact CB-CH2 4.46Å; V279-W333 HydrophobicContact CB-CZ2 3.61Å; V279-W333 HydrophobicContact CG1-CD2 4.06Å; V279-W333 HydrophobicContact CG1-CH2 3.96Å; V279-W333 HydrophobicContact CG1-CZ2 3.47Å; V279-W333 VanDerWaalsContact CG1-CZ2 3.47Å; V279-W333 HydrophobicContact CG1-CZ3 4.48Å; V279-W333 HydrophobicContact CG2-CZ2 4.49Å; V279-G378 WeakPolarHBondContact CG1-O 3.48Å; V279-R379 HydrophobicContact CG2-CB 3.9Å; V279-R379 VanDerWaalsContact CG2-N 3.25Å
280I95.4Very high94.1Very high5 Ų534.4 Ų34.43%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-131.1129.6169.7174.2163.2000108.2Y263 V266 L270 I277 V294 Y295 V296 N361Y263-I280 HydrophobicContact CE2-CG1 4.47Å; Y263-I280 HydrophobicContact CE2-CG2 3.69Å; V266-I280 HydrophobicContact CG1-CD1 4.43Å; L270-I280 HydrophobicContact CD1-CD1 4.29Å; I277-I280 HydrophobicContact CG2-CB 4Å; I277-I280 HydrophobicContact CG2-CG2 4.05Å; I280-V294 HydrophobicContact CD1-CG1 4.1Å; I280-V294 HydrophobicContact CG1-CG1 3.99Å; I280-Y295 WeakPolarHBondContact CA-O 3.31Å; I280-V296 HydrophobicContact CD1-CG2 4.37Å; I280-V296 HydrophobicContact CG1-CG2 4.35Å; I280-N361 PolarHBondContact O-ND2 3.29Å
281R95.7Very high94.1Very high4 Ų435 Ų352%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-139120-177-62.6-65.1171.2-166.8-2.9110.3V279 V294 Y295 W333 I337 V358 E364 G378V279-R281 HydrophobicContact CG1-CG 3.86Å; R281-V294 WeakPolarHBondContact O-CA 3.27Å; R281-Y295 PolarHBondContact N-O 3.25Å; R281-Y295 PolarHBondContact O-N 3.31Å; R281-W333 HydrophobicContact CB-CH2 4.11Å; R281-W333 HydrophobicContact CB-CZ3 3.73Å; R281-W333 HydrophobicContact CG-CE3 3.93Å; R281-W333 HydrophobicContact CG-CH2 3.86Å; R281-W333 HydrophobicContact CG-CZ3 3.45Å; R281-W333 VanDerWaalsContact CG-CZ3 3.45Å; R281-I337 HydrophobicContact CG-CD1 4.28Å; R281-V358 HydrophobicContact CB-CG1 3.94Å; R281-V358 HydrophobicContact CG-CG1 4.4Å; R281-E364 IonicContact CZ-OE1 3.62Å; R281-E364 IonicContact CZ-OE2 3.55Å; R281-E364 IonicContact NH1-OE1 3.67Å; R281-E364 PolarHBondContact NH1-OE1 3.4Å; R281-E364 IonicContact NH1-OE2 2.7Å; R281-E364 PolarHBondContact NH1-OE2 3.32Å; R281-E364 IonicContact NH2-OE1 3.7Å; R281-E364 PolarHBondContact NH2-OE1 2.96Å; R281-E364 IonicContact NH2-OE2 2.81Å; R281-G378 PolarHBondContact NH2-O 3.21Å
282T97.1Very high94.1Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-100.8138.1175.1-51.30000109.9F228 Y259 F262 V294 V358 F359F228-T282 HydrophobicContact CB-CG2 3.63Å; F228-T282 HydrophobicContact CD1-CG2 4.18Å; F228-T282 HydrophobicContact CG-CG2 4.13Å; Y259-T282 HydrophobicContact CD2-CG2 4.35Å; Y259-T282 VanDerWaalsContact CE2-CB 3.43Å; Y259-T282 HydrophobicContact CE2-CG2 3.75Å; Y259-T282 WeakPolarHBondContact CE2-OG1 3.4Å; Y259-T282 PolarHBondContact OH-OG1 3.48Å; F262-T282 HydrophobicContact CE1-CG2 4.11Å; T282-V294 HydrophobicContact CG2-CG2 3.99Å; T282-V358 CarbonylContact O-C 3.59Å; T282-V358 VanDerWaalsContact O-CA 3.29Å; T282-V358 WeakPolarHBondContact O-CA 3.11Å; T282-F359 HydrophobicContact CG2-CD2 4.05Å; T282-F359 HydrophobicContact CG2-CE2 4.34Å; T282-F359 WeakPolarHBondContact O-CD2 3.17Å; T282-F359 PolarHBondContact O-N 3.3Å
283C96.5Very high94.2Very high0 Ų027.7 Ų27.70%014%0.136CC..BIsolated β-bridgetrans-91.7124.8-176.5-64.90000113.4L290 G292 S293 Y295 H357C283-L290 WeakPolarHBondContact CB-O 3.45Å; C283-G292 WeakPolarHBondContact O-CA 3.38Å; C283-G292 PolarHBondContact O-N 3.02Å; C283-S293 WeakPolarHBondContact CB-O 3.46Å; C283-S293 PolarHBondContact N-O 2.75Å; C283-S293 PolarHBondContact SG-O 3.25Å; C283-Y295 VanDerWaalsContact SG-CE2 3.52Å; C283-H357 CarbonylContact C-O 3.53Å; C283-H357 WeakPolarHBondContact CA-O 3.47Å
284R94.7Very high94.4Very high54 Ų5423.6 Ų23.620%0.20412%0.121CC..  trans-86.2-7.9172.8-172.3162.1173.3-167.83.8113.7L233 E252 L286 Y341 H357 F359L233-R284 HydrophobicContact CD2-CG 4.19Å; L233-R284 WeakPolarHBondContact CD2-O 3.44Å; E252-R284 IonicContact OE1-CZ 3.75Å; E252-R284 IonicContact OE1-NH1 2.74Å; E252-R284 PolarHBondContact OE1-NH1 2.46Å; E252-R284 IonicContact OE1-NH2 2.63Å; E252-R284 PolarHBondContact OE1-NH2 3.24Å; R284-L286 PolarHBondContact O-N 2.9Å; R284-Y341 WeakPolarHBondContact CD-OH 3.38Å; R284-Y341 WeakPolarHBondContact CG-OH 3.32Å; R284-Y341 PolarHBondContact NE-OH 3.46Å; R284-H357 PolarHBondContact N-O 2.85Å; R284-F359 HydrophobicContact CB-CD1 4.49Å; R284-F359 HydrophobicContact CB-CD2 3.82Å; R284-F359 HydrophobicContact CB-CE1 4.22Å; R284-F359 HydrophobicContact CB-CE2 3.5Å; R284-F359 VanDerWaalsContact CB-CE2 3.5Å; R284-F359 HydrophobicContact CB-CG 4.3Å; R284-F359 HydrophobicContact CB-CZ 3.7Å; R284-F359 HydrophobicContact CG-CE1 4.02Å; R284-F359 HydrophobicContact CG-CE2 4.02Å; R284-F359 HydrophobicContact CG-CZ 3.66Å
285N94.4Very high94.6Very high0 Ų022.4 Ų22.40%012%0.116CC..  trans-46.7134.6176.7-62.882.8000111.9A287 L290 R291 C353 F355 H357N285-A287 VanDerWaalsContact C-N 3.3Å; N285-A287 HydrophobicContact CB-CB 4.36Å; N285-L290 HydrophobicContact CB-CB 3.63Å; N285-L290 HydrophobicContact CB-CD1 4.49Å; N285-R291 WeakPolarHBondContact O-CA 3.41Å; N285-R291 VanDerWaalsContact O-CB 3.27Å; N285-R291 WeakPolarHBondContact O-CB 3.41Å; N285-C353 PolarHBondContact ND2-O 2.95Å; N285-F355 PolarHBondContact ND2-O 3Å; N285-H357 PolarHBondContact OD1-N 3.14Å; N285-H357 PolarHBondContact OD1-O 2.78Å
286L92.4Very high94.8Very high41 Ų4120.9 Ų20.922%0.21510%0.101CC..  trans-77.4-20.9166.2-63.7179.1000111.3L233 T236 R284 N288 R291 D350 L351L233-L286 HydrophobicContact CD2-CD2 4.21Å; L233-L286 WeakPolarHBondContact O-CD2 3.16Å; T236-L286 HydrophobicContact CG2-CB 4.29Å; R284-L286 PolarHBondContact O-N 2.9Å; L286-N288 PolarHBondContact O-N 3.4Å; L286-R291 PolarHBondContact O-NE 2.96Å; L286-R291 VanDerWaalsContact O-NE 3.12Å; L286-R291 PolarHBondContact O-NH2 3.12Å; L286-D350 HydrophobicContact CB-CB 4.04Å; L286-D350 HydrophobicContact CD1-CB 4.05Å; L286-D350 HydrophobicContact CG-CB 3.72Å; L286-D350 PolarHBondContact N-O 3.4Å; L286-L351 HydrophobicContact CB-CB 4.46Å; L286-L351 HydrophobicContact CB-CD1 4.21Å
287A92.9Very high94.8Very high5 Ų516.1 Ų16.14%0.0418%0.081CC..SBendtrans-54.1123.7177.200000112.9N285 H289 L290 R291 D350 L351N285-A287 VanDerWaalsContact C-N 3.3Å; N285-A287 HydrophobicContact CB-CB 4.36Å; A287-H289 PolarHBondContact O-N 3.45Å; A287-L290 PolarHBondContact O-N 3.29Å; A287-R291 PolarHBondContact O-N 3Å; A287-D350 PolarHBondContact N-O 2.97Å; A287-L351 WeakPolarHBondContact CA-O 3.1Å; A287-L351 WeakPolarHBondContact CB-O 3Å
288N92.5Very high94.8Very high100 Ų10016.4 Ų16.454%0.5358%0.082SC..THydrogen-bonded Turntrans-53.2-19.1-171.7-81-12.9000117.1K226 L286 R291K226-N288 WeakPolarHBondContact CE-O 3.38Å; K226-N288 PolarHBondContact NZ-O 2.79Å; K226-N288 VanDerWaalsContact NZ-O 3.14Å; L286-N288 PolarHBondContact O-N 3.4Å; N288-R291 PolarHBondContact OD1-NH2 3Å
289H93.6Very high94.9Very high32 Ų3218 Ų1815%0.1489%0.093CC..THydrogen-bonded Turntrans-98-8.9-17867.3-75.8000113.8R178 A287R178-H289 PolarHBondContact N-CD2 3.42Å; A287-H289 PolarHBondContact O-N 3.45Å
290L95.7Very high94.6Very high0 Ų026.6 Ų26.60%013%0.125CC..THydrogen-bonded Turntrans-122.9-26178.4-70.9179.5000113.3A176 C283 N285 A287 G292 S293 Y295 L356A176-L290 HydrophobicContact CB-CD2 3.54Å; C283-L290 WeakPolarHBondContact CB-O 3.45Å; N285-L290 HydrophobicContact CB-CB 3.63Å; N285-L290 HydrophobicContact CB-CD1 4.49Å; A287-L290 PolarHBondContact O-N 3.29Å; L290-G292 PolarHBondContact O-N 2.75Å; L290-S293 WeakPolarHBondContact O-CB 3.48Å; L290-S293 PolarHBondContact O-N 3.03Å; L290-S293 VanDerWaalsContact O-N 3.09Å; L290-S293 PolarHBondContact O-OG 2.94Å; L290-Y295 WeakPolarHBondContact CD2-OH 3.13Å; L290-L356 HydrophobicContact CD1-CD2 4.15Å; L290-L356 HydrophobicContact CD2-CD2 3.41Å; L290-L356 VanDerWaalsContact CD2-CD2 3.41Å; L290-L356 HydrophobicContact CG-CD2 4.37Å
291R94.9Very high94.2Very high18 Ų1827.7 Ų27.77%0.06814%0.137CC..THydrogen-bonded Turntrans-45.3119.9-176.7-174.8-168.7-56.6-176.5-3.2113.7K226 L233 D234 T236 N285 L286 A287 N288 S293K226-R291 WeakPolarHBondContact CG-O 3.33Å; L233-R291 HydrophobicContact CB-CG 4.04Å; L233-R291 WeakPolarHBondContact O-CD 3.44Å; L233-R291 PolarHBondContact O-NE 2.79Å; L233-R291 PolarHBondContact O-NH1 3.09Å; D234-R291 WeakPolarHBondContact OD1-CD 3.44Å; D234-R291 IonicContact OD1-CZ 3.75Å; D234-R291 IonicContact OD1-NE 2.9Å; D234-R291 IonicContact OD1-NH1 3.89Å; D234-R291 PolarHBondContact OD1-NH1 3.06Å; T236-R291 PolarHBondContact OG1-NH2 2.88Å; N285-R291 WeakPolarHBondContact O-CA 3.41Å; N285-R291 VanDerWaalsContact O-CB 3.27Å; N285-R291 WeakPolarHBondContact O-CB 3.41Å; L286-R291 PolarHBondContact O-NE 2.96Å; L286-R291 VanDerWaalsContact O-NE 3.12Å; L286-R291 PolarHBondContact O-NH2 3.12Å; A287-R291 PolarHBondContact O-N 3Å; N288-R291 PolarHBondContact OD1-NH2 3Å; R291-S293 PolarHBondContact O-N 3.09Å; R291-S293 VanDerWaalsContact O-N 3.09Å
292G95.1Very high93.9Very high0 Ų030 Ų300%015%0.153CC..THydrogen-bonded Turntrans69.13.317300000115.2M227 F228 C283 L290M227-G292 PolarHBondContact N-O 3.01Å; F228-G292 PolarHBondContact N-O 3.38Å; F228-G292 WeakPolarHBondContact O-CA 3.24Å; C283-G292 WeakPolarHBondContact O-CA 3.38Å; C283-G292 PolarHBondContact O-N 3.02Å; L290-G292 PolarHBondContact O-N 2.75Å
293S97Very high93.6Very high1 Ų132.6 Ų32.61%0.00717%0.171CC..  trans-73.5134.7179.1-62.50000110.8I224 K226 C283 L290 R291I224-S293 CarbonylContact O-C 3.56Å; I224-S293 VanDerWaalsContact O-CA 3.28Å; I224-S293 WeakPolarHBondContact O-CA 3.43Å; K226-S293 PolarHBondContact N-OG 2.83Å; C283-S293 WeakPolarHBondContact CB-O 3.46Å; C283-S293 PolarHBondContact N-O 2.75Å; C283-S293 PolarHBondContact SG-O 3.25Å; L290-S293 WeakPolarHBondContact O-CB 3.48Å; L290-S293 PolarHBondContact O-N 3.03Å; L290-S293 VanDerWaalsContact O-N 3.09Å; L290-S293 PolarHBondContact O-OG 2.94Å; R291-S293 PolarHBondContact O-N 3.09Å; R291-S293 VanDerWaalsContact O-N 3.09Å
294V97.6Very high93.4Very high0 Ų032.7 Ų32.70%017%0.172CC..EExtended strand (participates in β ladder)trans-103.8132.6178-177.30000108.8Q223 I224 M227 F262 I280 R281 T282 V296Q223-V294 CarbonylContact C-O 3.57Å; Q223-V294 WeakPolarHBondContact CA-O 3.33Å; I224-V294 HydrophobicContact CB-CB 4.47Å; I224-V294 PolarHBondContact N-O 2.92Å; I224-V294 PolarHBondContact O-N 3.02Å; M227-V294 HydrophobicContact CB-CG2 4.01Å; M227-V294 HydrophobicContact SD-CG2 4.14Å; F262-V294 HydrophobicContact CE1-CG2 3.9Å; F262-V294 HydrophobicContact CZ-CG2 3.75Å; I280-V294 HydrophobicContact CD1-CG1 4.1Å; I280-V294 HydrophobicContact CG1-CG1 3.99Å; R281-V294 WeakPolarHBondContact O-CA 3.27Å; T282-V294 HydrophobicContact CG2-CG2 3.99Å; V294-V296 HydrophobicContact CG1-CG2 3.78Å
295Y97.6Very high93.4Very high0 Ų030.1 Ų30.10%016%0.162CC..EExtended strand (participates in β ladder)trans-113.8129.7174.7-64.2-99.8000108.8T174 V221 L222 Q223 I280 R281 C283 L290 V327 L356T174-Y295 VanDerWaalsContact O-CE1 3.23Å; T174-Y295 WeakPolarHBondContact O-CE1 3.13Å; T174-Y295 PolarHBondContact O-OH 3.49Å; V221-Y295 HydrophobicContact CG2-CD1 3.91Å; L222-Y295 CarbonylContact O-C 3.52Å; L222-Y295 VanDerWaalsContact O-CA 3.32Å; L222-Y295 WeakPolarHBondContact O-CA 3.38Å; Q223-Y295 HydrophobicContact CB-CD1 4.21Å; Q223-Y295 HydrophobicContact CB-CE1 4.13Å; Q223-Y295 HydrophobicContact CG-CD1 4.24Å; Q223-Y295 HydrophobicContact CG-CE1 3.76Å; Q223-Y295 PolarHBondContact NE2-OH 3.26Å; I280-Y295 WeakPolarHBondContact CA-O 3.31Å; R281-Y295 PolarHBondContact N-O 3.25Å; R281-Y295 PolarHBondContact O-N 3.31Å; C283-Y295 VanDerWaalsContact SG-CE2 3.52Å; L290-Y295 WeakPolarHBondContact CD2-OH 3.13Å; Y295-V327 HydrophobicContact CD1-CG2 4.36Å; Y295-V327 HydrophobicContact CE1-CG2 4.2Å; Y295-L356 HydrophobicContact CD2-CD1 4.01Å; Y295-L356 HydrophobicContact CE2-CD1 4.03Å; Y295-L356 HydrophobicContact CE2-CD2 3.76Å; Y295-L356 HydrophobicContact CG-CD1 4.32Å
296V96.7Very high93.4Very high0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-132.6122.7-174-168.10000110.8V221 L222 L270 I277 V279 I280 V294 F298V221-V296 CarbonylContact C-O 3.58Å; V221-V296 VanDerWaalsContact CA-O 3.31Å; V221-V296 WeakPolarHBondContact CA-O 3.06Å; V221-V296 WeakPolarHBondContact CB-O 3.27Å; L222-V296 HydrophobicContact CB-CB 4.27Å; L222-V296 PolarHBondContact N-O 3.41Å; L222-V296 PolarHBondContact O-N 3.1Å; L270-V296 HydrophobicContact CD1-CG1 4.36Å; L270-V296 HydrophobicContact CD1-CG2 3.88Å; I277-V296 HydrophobicContact CD1-CG1 3.91Å; I277-V296 HydrophobicContact CG1-CG1 3.92Å; I277-V296 HydrophobicContact CG2-CG1 4.02Å; V279-V296 CarbonylContact O-C 3.59Å; V279-V296 WeakPolarHBondContact O-CA 3.41Å; I280-V296 HydrophobicContact CD1-CG2 4.37Å; I280-V296 HydrophobicContact CG1-CG2 4.35Å; V294-V296 HydrophobicContact CG1-CG2 3.78Å; V296-F298 HydrophobicContact CB-CE2 4.33Å; V296-F298 HydrophobicContact CB-CZ 4.44Å; V296-F298 HydrophobicContact CG1-CD2 4.41Å; V296-F298 HydrophobicContact CG1-CE1 4.06Å; V296-F298 HydrophobicContact CG1-CE2 3.96Å; V296-F298 HydrophobicContact CG1-CZ 3.77Å
297E94.6Very high93.6Very high43 Ų4332.2 Ų32.220%0.20117%0.171CC..EExtended strand (participates in β ladder)trans-106125171.5-175.8178.7-151.200108.5C219 V221 S278 V279 W333C219-E297 WeakPolarHBondContact CB-OE1 3.34Å; V221-E297 HydrophobicContact CG1-CB 3.94Å; V221-E297 HydrophobicContact CG1-CG 4.47Å; S278-E297 WeakPolarHBondContact CA-O 3.38Å; S278-E297 VanDerWaalsContact CB-O 3.27Å; S278-E297 WeakPolarHBondContact CB-O 3.33Å; S278-E297 PolarHBondContact N-O 2.83Å; V279-E297 HydrophobicContact CB-CB 4.04Å; V279-E297 HydrophobicContact CG2-CB 4.44Å; V279-E297 WeakPolarHBondContact CG2-OE2 3.33Å; V279-E297 PolarHBondContact N-O 3.13Å; V279-E297 VanDerWaalsContact N-O 3.15Å; V279-E297 PolarHBondContact O-N 2.94Å; E297-W333 HydrophobicContact CB-CZ2 3.98Å; E297-W333 PolarHBondContact OE2-NE1 2.96Å
298F93.8Very high93.7Very high9 Ų932 Ų324%0.03917%0.169CC..EExtended strand (participates in β ladder)trans-95140.4-178.1-67.2-83.5000111.6L222 L270 W274 I277 V296 R300 G301 A304 A305 A308L222-F298 HydrophobicContact CB-CE2 4.05Å; L222-F298 HydrophobicContact CD2-CE2 4.04Å; L222-F298 HydrophobicContact CD2-CZ 4.15Å; L270-F298 HydrophobicContact CD2-CZ 4.32Å; W274-F298 HydrophobicContact CB-CD1 4Å; W274-F298 HydrophobicContact CB-CE1 3.72Å; W274-F298 HydrophobicContact CB-CZ 4.28Å; W274-F298 HydrophobicContact CG-CE1 4.45Å; I277-F298 HydrophobicContact CG1-CD1 4.2Å; I277-F298 HydrophobicContact CG1-CE1 4.12Å; V296-F298 HydrophobicContact CB-CE2 4.33Å; V296-F298 HydrophobicContact CB-CZ 4.44Å; V296-F298 HydrophobicContact CG1-CD2 4.41Å; V296-F298 HydrophobicContact CG1-CE1 4.06Å; V296-F298 HydrophobicContact CG1-CE2 3.96Å; V296-F298 HydrophobicContact CG1-CZ 3.77Å; F298-R300 PolarHBondContact O-N 3.17Å; F298-R300 VanDerWaalsContact O-N 3.1Å; F298-G301 PolarHBondContact O-N 2.65Å; F298-G301 VanDerWaalsContact O-N 3.07Å; F298-A304 HydrophobicContact CB-CB 3.71Å; F298-A304 HydrophobicContact CD2-CB 4.24Å; F298-A304 HydrophobicContact CG-CB 3.94Å; F298-A305 HydrophobicContact CD2-CB 4.15Å; F298-A308 HydrophobicContact CE2-CB 3.74Å; F298-A308 HydrophobicContact CZ-CB 3.71Å
299S91.8Very high93.8Very high60 Ų6027.6 Ų27.642%0.4215%0.146SC..THydrogen-bonded Turntrans-70-7178.3-420000113.4K276 S278 G301 R379K276-S299 WeakPolarHBondContact O-CB 3.32Å; K276-S299 PolarHBondContact O-N 3.44Å; K276-S299 PolarHBondContact O-OG 3.09Å; S278-S299 PolarHBondContact N-OG 2.98Å; S299-G301 VanDerWaalsContact C-N 3.34Å; S299-R379 PolarHBondContact OG-NH2 2.95Å
300R87.9Confident93.9Very high187 Ų18731.4 Ų31.471%0.70616%0.164SC*.THydrogen-bonded Turntrans-86.8-1.5173.4-178.4169.7173.6176.9-2.8112.7F298 A304F298-R300 PolarHBondContact O-N 3.17Å; F298-R300 VanDerWaalsContact O-N 3.1Å; R300-A304 HydrophobicContact CB-CB 3.9Å; R300-A304 HydrophobicContact CG-CB 4.15Å
301G86.2Confident93.8Very high28 Ų2833.3 Ų33.329%0.28918%0.18SC..  trans83.1-174179.700000114.2F298 S299 S303 A304F298-G301 PolarHBondContact O-N 2.65Å; F298-G301 VanDerWaalsContact O-N 3.07Å; S299-G301 VanDerWaalsContact C-N 3.34Å; G301-S303 VanDerWaalsContact C-N 3.35Å; G301-S303 PolarHBondContact O-N 3.45Å; G301-A304 PolarHBondContact O-N 3.47Å; G301-A304 VanDerWaalsContact O-N 3.12Å
302P88.2Confident93.8Very high51 Ų5132.8 Ų32.833%0.33118%0.179SC..Hα-helixtrans-57.6-36.1-166.3-28.936.5000115.7L220 A304 A305 W306L220-P302 HydrophobicContact CB-CB 4.11Å; L220-P302 HydrophobicContact CB-CG 4.2Å; L220-P302 HydrophobicContact CD1-CB 3.81Å; L220-P302 HydrophobicContact CD1-CG 3.67Å; P302-A304 PolarHBondContact O-N 3.12Å; P302-A305 WeakPolarHBondContact O-CA 3.49Å; P302-A305 WeakPolarHBondContact O-CB 3.4Å; P302-A305 PolarHBondContact O-N 2.98Å; P302-W306 PolarHBondContact O-N 2.81Å; P302-W306 VanDerWaalsContact O-N 3.12Å
303S91.3Very high93.7Very high56 Ų5637 Ų3739%0.39220%0.202SC..Hα-helixtrans-53.1-40.7177.5-174.30000112G301 A305 W306 D307G301-S303 VanDerWaalsContact C-N 3.35Å; G301-S303 PolarHBondContact O-N 3.45Å; S303-A305 VanDerWaalsContact C-N 3.28Å; S303-A305 PolarHBondContact O-N 3.22Å; S303-W306 WeakPolarHBondContact O-CB 3.39Å; S303-W306 PolarHBondContact O-N 3.14Å; S303-W306 VanDerWaalsContact O-N 3.13Å; S303-D307 WeakPolarHBondContact O-CB 3.36Å; S303-D307 PolarHBondContact O-N 3.13Å; S303-D307 PolarHBondContact OG-OD2 3.42Å; S303-D307 VanDerWaalsContact OG-OD2 3.12Å
304A93.3Very high93.5Very high1 Ų138.1 Ų38.11%0.00821%0.213CC..Hα-helixtrans-68.7-26.1179.700000112.9F298 R300 G301 P302 A308F298-A304 HydrophobicContact CB-CB 3.71Å; F298-A304 HydrophobicContact CD2-CB 4.24Å; F298-A304 HydrophobicContact CG-CB 3.94Å; R300-A304 HydrophobicContact CB-CB 3.9Å; R300-A304 HydrophobicContact CG-CB 4.15Å; G301-A304 PolarHBondContact O-N 3.47Å; G301-A304 VanDerWaalsContact O-N 3.12Å; P302-A304 PolarHBondContact O-N 3.12Å; A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 2.78Å
305A94.7Very high93.4Very high1 Ų143.6 Ų43.61%0.00823%0.234CC..Hα-helixtrans-72.1-38.217100000111.6L222 F298 P302 S303 A309 V326L222-A305 HydrophobicContact CB-CB 4.37Å; F298-A305 HydrophobicContact CD2-CB 4.15Å; P302-A305 WeakPolarHBondContact O-CA 3.49Å; P302-A305 WeakPolarHBondContact O-CB 3.4Å; P302-A305 PolarHBondContact O-N 2.98Å; S303-A305 VanDerWaalsContact C-N 3.28Å; S303-A305 PolarHBondContact O-N 3.22Å; A305-A309 VanDerWaalsContact O-CB 3.32Å; A305-A309 WeakPolarHBondContact O-CB 3.48Å; A305-A309 PolarHBondContact O-N 3.02Å; A305-V326 HydrophobicContact CB-CG1 4.5Å; A305-V326 HydrophobicContact CB-CG2 4.48Å
306W94.7Very high93.2Very high37 Ų3752.5 Ų52.514%0.1427%0.267CS..Hα-helixtrans-64.4-52.4172.5-73.8112.3000112.3P190 R192 D195 P302 S303 A308 A309 E310 V326P190-W306 HydrophobicContact CB-CZ2 4.15Å; P190-W306 HydrophobicContact CG-CH2 4.41Å; P190-W306 HydrophobicContact CG-CZ2 3.99Å; P190-W306 WeakPolarHBondContact O-CH2 3.41Å; R192-W306 HydrophobicContact CB-CD2 3.86Å; R192-W306 HydrophobicContact CB-CE3 4.08Å; R192-W306 HydrophobicContact CB-CG 4.3Å; R192-W306 HydrophobicContact CB-CZ2 4.31Å; R192-W306 HydrophobicContact CB-CZ3 4.41Å; R192-W306 HydrophobicContact CG-CB 4.29Å; R192-W306 HydrophobicContact CG-CD2 4Å; R192-W306 HydrophobicContact CG-CE3 4.45Å; R192-W306 HydrophobicContact CG-CG 3.9Å; D195-W306 PolarHBondContact OD2-NE1 3.36Å; P302-W306 PolarHBondContact O-N 2.81Å; P302-W306 VanDerWaalsContact O-N 3.12Å; S303-W306 WeakPolarHBondContact O-CB 3.39Å; S303-W306 PolarHBondContact O-N 3.14Å; S303-W306 VanDerWaalsContact O-N 3.13Å; W306-A308 PolarHBondContact O-N 3.35Å; W306-A309 PolarHBondContact O-N 3.02Å; W306-A309 VanDerWaalsContact O-N 3.13Å; W306-E310 PolarHBondContact O-N 3.48Å; W306-V326 HydrophobicContact CD2-CB 4.17Å; W306-V326 HydrophobicContact CD2-CG1 4.36Å; W306-V326 HydrophobicContact CD2-CG2 3.69Å; W306-V326 HydrophobicContact CE3-CB 4.12Å; W306-V326 HydrophobicContact CE3-CG2 3.58Å; W306-V326 HydrophobicContact CG-CG2 4.21Å; W306-V326 HydrophobicContact CH2-CB 3.87Å; W306-V326 HydrophobicContact CH2-CG1 4.42Å; W306-V326 HydrophobicContact CH2-CG2 4.26Å; W306-V326 HydrophobicContact CZ2-CB 3.94Å; W306-V326 HydrophobicContact CZ2-CG1 3.98Å; W306-V326 HydrophobicContact CZ2-CG2 4.38Å; W306-V326 HydrophobicContact CZ3-CB 3.98Å; W306-V326 HydrophobicContact CZ3-CG2 3.88Å
307D94.9Very high93.1Very high47 Ų4754.8 Ų54.825%0.25128%0.278SS..Hα-helixtrans-59-33.6176.8-60.5-37.7000112.1R192 W274 S303 A311R192-D307 IonicContact CZ-OD1 3.37Å; R192-D307 IonicContact NH1-OD1 2.76Å; R192-D307 PolarHBondContact NH1-OD1 2.99Å; R192-D307 IonicContact NH2-OD1 2.71Å; R192-D307 PolarHBondContact NH2-OD1 3Å; W274-D307 PolarHBondContact NE1-O 3.41Å; S303-D307 WeakPolarHBondContact O-CB 3.36Å; S303-D307 PolarHBondContact O-N 3.13Å; S303-D307 PolarHBondContact OG-OD2 3.42Å; S303-D307 VanDerWaalsContact OG-OD2 3.12Å; D307-A311 VanDerWaalsContact O-CB 3.24Å; D307-A311 WeakPolarHBondContact O-CB 3.43Å; D307-A311 PolarHBondContact O-N 3.05Å
308A95.6Very high92.9Very high0 Ų056.3 Ų56.30%030%0.297CS..Hα-helixtrans-80-34.817600000113.1L222 W274 F298 A304 W306 C312L222-A308 HydrophobicContact CD2-CB 3.73Å; W274-A308 HydrophobicContact CD2-CB 3.73Å; W274-A308 VanDerWaalsContact CE2-CA 3.47Å; W274-A308 HydrophobicContact CE3-CB 4.39Å; W274-A308 HydrophobicContact CG-CB 3.86Å; W274-A308 HydrophobicContact CZ2-CB 4.08Å; W274-A308 VanDerWaalsContact NE1-CA 3.25Å; F298-A308 HydrophobicContact CE2-CB 3.74Å; F298-A308 HydrophobicContact CZ-CB 3.71Å; A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 2.78Å; W306-A308 PolarHBondContact O-N 3.35Å; A308-C312 WeakPolarHBondContact O-CB 3.26Å; A308-C312 PolarHBondContact O-N 2.83Å; A308-C312 PolarHBondContact O-SG 3.13Å
309A95.3Very high92.8Very high8 Ų859.1 Ų59.17%0.06633%0.329CS..Hα-helixtrans-61.7-54.3173.200000110.4L222 A305 W306 A311 C312 N313 C324 V326L222-A309 HydrophobicContact CD1-CB 3.84Å; A305-A309 VanDerWaalsContact O-CB 3.32Å; A305-A309 WeakPolarHBondContact O-CB 3.48Å; A305-A309 PolarHBondContact O-N 3.02Å; W306-A309 PolarHBondContact O-N 3.02Å; W306-A309 VanDerWaalsContact O-N 3.13Å; A309-A311 PolarHBondContact O-N 2.96Å; A309-C312 PolarHBondContact O-N 3.38Å; A309-N313 WeakPolarHBondContact O-CB 3.37Å; A309-N313 PolarHBondContact O-N 3.09Å; A309-C324 HydrophobicContact CB-CB 4.49Å; A309-V326 HydrophobicContact CB-CG2 3.63Å
310E94.7Very high92.9Very high113 Ų11361.4 Ų61.453%0.52833%0.328SS..Hα-helixtrans-59.1-48.3-179.6-71165.6-161.200112R192 W306 C312R192-E310 IonicContact CZ-OE1 3.89Å; R192-E310 IonicContact NH1-OE1 2.68Å; R192-E310 PolarHBondContact NH1-OE1 2.89Å; R192-E310 IonicContact NH1-OE2 3.44Å; R192-E310 PolarHBondContact NH1-OE2 3.26Å; W306-E310 PolarHBondContact O-N 3.48Å; E310-C312 PolarHBondContact O-N 2.94Å
311A94.9Very high93.2Very high39 Ų3959 Ų5932%0.32232%0.323SS..Hα-helixtrans-81.1-10.5-175.800000115W274 D307 A309 R315W274-A311 HydrophobicContact CZ2-CB 4.01Å; D307-A311 VanDerWaalsContact O-CB 3.24Å; D307-A311 WeakPolarHBondContact O-CB 3.43Å; D307-A311 PolarHBondContact O-N 3.05Å; A309-A311 PolarHBondContact O-N 2.96Å; A311-R315 WeakPolarHBondContact O-CD 3.47Å; A311-R315 PolarHBondContact O-NE 3.4Å
312C94Very high93.7Very high7 Ų758.4 Ų58.45%0.04731%0.313CS..Hα-helixtrans-100.1-26.4170-74.90000113.9W274 A308 A309 E310 G314 R315 C324W274-C312 WeakPolarHBondContact CH2-SG 3.41Å; A308-C312 WeakPolarHBondContact O-CB 3.26Å; A308-C312 PolarHBondContact O-N 2.83Å; A308-C312 PolarHBondContact O-SG 3.13Å; A309-C312 PolarHBondContact O-N 3.38Å; E310-C312 PolarHBondContact O-N 2.94Å; C312-G314 PolarHBondContact O-N 3.31Å; C312-R315 WeakPolarHBondContact O-CB 3.3Å; C312-R315 PolarHBondContact O-N 2.73Å; C312-C324 HydrophobicContact CB-CB 4.47Å; C312-C324 WeakPolarHBondContact CB-SG 3.28Å
313N93.5Very high94Very high90 Ų9059.5 Ų59.548%0.48132%0.319SS..THydrogen-bonded Turntrans-60.8123.4-175.9-161.526000110.1A309 R315 C324A309-N313 WeakPolarHBondContact O-CB 3.37Å; A309-N313 PolarHBondContact O-N 3.09Å; N313-R315 VanDerWaalsContact C-N 3.34Å; N313-R315 PolarHBondContact O-N 3.09Å; N313-C324 HydrophobicContact CB-CB 4.01Å; N313-C324 PolarHBondContact OD1-N 3.14Å
314G92.1Very high94.2Very high24 Ų2457.2 Ų57.225%0.24730%0.303CS..THydrogen-bonded Turntrans79.52.4-177.100000117.1C312 L322C312-G314 PolarHBondContact O-N 3.31Å; G314-L322 PolarHBondContact N-O 2.89Å
315R95.3Very high94.3Very high115 Ų11559.1 Ų59.143%0.43431%0.314SS..  trans-65171162.5-70.7-166.8175.2-126.6-12.5111.1R273 A311 C312 N313 K321 L322R273-R315 VanDerWaalsContact NH1-NH1 3.11Å; A311-R315 WeakPolarHBondContact O-CD 3.47Å; A311-R315 PolarHBondContact O-NE 3.4Å; C312-R315 WeakPolarHBondContact O-CB 3.3Å; C312-R315 PolarHBondContact O-N 2.73Å; N313-R315 VanDerWaalsContact C-N 3.34Å; N313-R315 PolarHBondContact O-N 3.09Å; R315-K321 CarbonylContact O-C 3.49Å; R315-K321 WeakPolarHBondContact O-CA 3.49Å; R315-L322 HydrophobicContact CB-CD1 4.25Å; R315-L322 PolarHBondContact O-N 3.31Å
316W94.7Very high94.3Very high186 Ų18659.3 Ų59.371%0.70532%0.316SS*.EExtended strand (participates in β ladder)trans-112.1141.2177.7-68.777.7000111.9G319 R320 K321W316-G319 WeakPolarHBondContact CZ3-O 3.32Å; W316-R320 CarbonylContact C-O 3.53Å; W316-R320 VanDerWaalsContact CA-O 3.32Å; W316-R320 WeakPolarHBondContact CA-O 3.35Å; W316-K321 HydrophobicContact CZ2-CB 4.5Å
317F93.8Very high94.3Very high49 Ų4957.6 Ų57.622%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-145.2135.2173.7-175.8-94.4000108.9M227 F262 D265 V266 G319 R320 L322M227-F317 HydrophobicContact CE-CD1 4.41Å; M227-F317 HydrophobicContact CE-CD2 4.05Å; M227-F317 HydrophobicContact CE-CE2 4.37Å; M227-F317 HydrophobicContact CE-CG 4.08Å; M227-F317 HydrophobicContact CG-CD1 4.32Å; F262-F317 AromaticContact CD2-CE1 3.72Å; F262-F317 HydrophobicContact CD2-CE1 3.72Å; F262-F317 AromaticContact CD2-CZ 3.68Å; F262-F317 HydrophobicContact CD2-CZ 3.68Å; F262-F317 HydrophobicContact CE2-CD1 4.47Å; F262-F317 AromaticContact CE2-CE1 3.57Å; F262-F317 HydrophobicContact CE2-CE1 3.57Å; F262-F317 AromaticContact CE2-CZ 3.79Å; F262-F317 HydrophobicContact CE2-CZ 3.79Å; D265-F317 WeakPolarHBondContact OD2-CE2 3.17Å; V266-F317 HydrophobicContact CG2-CE2 3.98Å; V266-F317 HydrophobicContact CG2-CZ 3.98Å; F317-G319 PolarHBondContact O-N 3.15Å; F317-G319 VanDerWaalsContact O-N 3.08Å; F317-R320 PolarHBondContact N-O 3.05Å; F317-R320 PolarHBondContact O-N 3.26Å; F317-R320 VanDerWaalsContact O-O 3.08Å; F317-L322 HydrophobicContact CB-CD1 4.37Å; F317-L322 HydrophobicContact CB-CD2 3.7Å; F317-L322 HydrophobicContact CB-CG 4.12Å
318A91Very high94.2Very high74 Ų7457.7 Ų57.761%0.61231%0.306SS*.THydrogen-bonded Turntrans4542.5179.700000114.8R320A318-R320 VanDerWaalsContact C-N 3.28Å; A318-R320 PolarHBondContact O-N 2.96Å
319G91.8Very high94.1Very high68 Ų6857.7 Ų57.770%0.70131%0.306SS*.THydrogen-bonded Turntrans72.811-178.900000115.7W316 F317W316-G319 WeakPolarHBondContact CZ3-O 3.32Å; F317-G319 PolarHBondContact O-N 3.15Å; F317-G319 VanDerWaalsContact O-N 3.08Å
320R92.5Very high93.8Very high108 Ų10858 Ų5841%0.40831%0.31SS..EExtended strand (participates in β ladder)trans-124.5145-179.1-68.616854.6137.7-12.1111.5K226 W316 F317 A318K226-R320 PolarHBondContact O-NH2 3.34Å; W316-R320 CarbonylContact C-O 3.53Å; W316-R320 VanDerWaalsContact CA-O 3.32Å; W316-R320 WeakPolarHBondContact CA-O 3.35Å; F317-R320 PolarHBondContact N-O 3.05Å; F317-R320 PolarHBondContact O-N 3.26Å; F317-R320 VanDerWaalsContact O-O 3.08Å; A318-R320 VanDerWaalsContact C-N 3.28Å; A318-R320 PolarHBondContact O-N 2.96Å
321K95Very high93.3Very high137 Ų13753.1 Ų53.160%0.59629%0.29SS*.EExtended strand (participates in β ladder)trans-74.1130.4171.2-169.9173.2-177.6179.20109.9R315 W316R315-K321 CarbonylContact O-C 3.49Å; R315-K321 WeakPolarHBondContact O-CA 3.49Å; W316-K321 HydrophobicContact CZ2-CB 4.5Å
322L95.9Very high93.1Very high16 Ų1651.4 Ų51.48%0.08428%0.276CS..  trans-75.6136.7177.4-65.6-175.2000110.9I224 M227 G314 R315 F317I224-L322 HydrophobicContact CG2-CB 4.48Å; I224-L322 HydrophobicContact CG2-CD2 4.02Å; M227-L322 HydrophobicContact CE-CD1 4.28Å; M227-L322 HydrophobicContact CE-CD2 4.28Å; M227-L322 HydrophobicContact CG-CD2 3.85Å; G314-L322 PolarHBondContact N-O 2.89Å; R315-L322 HydrophobicContact CB-CD1 4.25Å; R315-L322 PolarHBondContact O-N 3.31Å; F317-L322 HydrophobicContact CB-CD1 4.37Å; F317-L322 HydrophobicContact CB-CD2 3.7Å; F317-L322 HydrophobicContact CB-CG 4.12Å
323T95.1Very high93Very high73 Ų7351.2 Ų51.245%0.44827%0.274SS..EExtended strand (participates in β ladder)trans-111117168.1-53.80000108.3L225L225-T323 HydrophobicContact CD1-CG2 4.07Å; L225-T323 PolarHBondContact N-O 3.34Å
324C95.9Very high92.8Very high8 Ų852.4 Ų52.45%0.05427%0.272CS..EExtended strand (participates in β ladder)trans-119.4133.8-175.6-58.10000111.1L222 Q223 A309 C312 N313L222-C324 HydrophobicContact CD1-CB 3.99Å; Q223-C324 WeakPolarHBondContact O-CA 3.36Å; A309-C324 HydrophobicContact CB-CB 4.49Å; C312-C324 HydrophobicContact CB-CB 4.47Å; C312-C324 WeakPolarHBondContact CB-SG 3.28Å; N313-C324 HydrophobicContact CB-CB 4.01Å; N313-C324 PolarHBondContact OD1-N 3.14Å
325T94.5Very high92.8Very high41 Ų4154 Ų5425%0.25227%0.273SS..EExtended strand (participates in β ladder)trans-138.4144.8-179.735.20000109.8Q223Q223-T325 WeakPolarHBondContact CB-O 3.49Å; Q223-T325 PolarHBondContact N-O 3.01Å; Q223-T325 PolarHBondContact O-N 2.86Å; Q223-T325 PolarHBondContact O-OG1 2.84Å; Q223-T325 PolarHBondContact OE1-OG1 2.74Å
326V95.3Very high92.7Very high6 Ų648.6 Ų48.64%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-89.4135.6166.4-176.60000108.5P190 L220 A305 W306 A309P190-V326 HydrophobicContact CG-CG1 4.08Å; L220-V326 HydrophobicContact CD2-CG1 4.2Å; A305-V326 HydrophobicContact CB-CG1 4.5Å; A305-V326 HydrophobicContact CB-CG2 4.48Å; W306-V326 HydrophobicContact CD2-CB 4.17Å; W306-V326 HydrophobicContact CD2-CG1 4.36Å; W306-V326 HydrophobicContact CD2-CG2 3.69Å; W306-V326 HydrophobicContact CE3-CB 4.12Å; W306-V326 HydrophobicContact CE3-CG2 3.58Å; W306-V326 HydrophobicContact CG-CG2 4.21Å; W306-V326 HydrophobicContact CH2-CB 3.87Å; W306-V326 HydrophobicContact CH2-CG1 4.42Å; W306-V326 HydrophobicContact CH2-CG2 4.26Å; W306-V326 HydrophobicContact CZ2-CB 3.94Å; W306-V326 HydrophobicContact CZ2-CG1 3.98Å; W306-V326 HydrophobicContact CZ2-CG2 4.38Å; W306-V326 HydrophobicContact CZ3-CB 3.98Å; W306-V326 HydrophobicContact CZ3-CG2 3.88Å; A309-V326 HydrophobicContact CB-CG2 3.63Å
327V94.5Very high92.7Very high0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-135.7145.3178.7-61.80000110.6F171 V221 Q223 Y295F171-V327 HydrophobicContact CZ-CG1 4.45Å; V221-V327 HydrophobicContact CG2-CG2 3.62Å; V221-V327 PolarHBondContact N-O 3.48Å; V221-V327 PolarHBondContact O-N 2.63Å; Q223-V327 HydrophobicContact CB-CG1 4.33Å; Q223-V327 HydrophobicContact CB-CG2 3.89Å; Y295-V327 HydrophobicContact CD1-CG2 4.36Å; Y295-V327 HydrophobicContact CE1-CG2 4.2Å
328R93.6Very high92.8Very high50 Ų5038.4 Ų38.419%0.18922%0.215CC..EExtended strand (participates in β ladder)trans-97.5117.8175.1-167.2178.9-79.1-153.55109.9D195 E198 C219 L220 G330D195-R328 IonicContact OD1-CZ 2.68Å; D195-R328 IonicContact OD1-NH2 2.92Å; D195-R328 PolarHBondContact OD1-NH2 3.09Å; E198-R328 IonicContact OE1-CZ 3.93Å; E198-R328 IonicContact OE1-NH1 2.67Å; E198-R328 PolarHBondContact OE1-NH1 3.23Å; E198-R328 IonicContact OE1-NH2 2.72Å; E198-R328 IonicContact OE2-CZ 3.12Å; E198-R328 IonicContact OE2-NH1 2.71Å; E198-R328 PolarHBondContact OE2-NH1 2.89Å; E198-R328 IonicContact OE2-NH2 2.67Å; E198-R328 PolarHBondContact OE2-NH2 3.34Å; C219-R328 CarbonylContact O-C 3.59Å; C219-R328 WeakPolarHBondContact O-CA 3.39Å; L220-R328 HydrophobicContact CD2-CB 3.76Å; L220-R328 HydrophobicContact CD2-CG 4.06Å; L220-R328 HydrophobicContact CG-CB 4.36Å; L220-R328 HydrophobicContact CG-CG 4.16Å; R328-G330 PolarHBondContact O-N 3.4Å
329L93.6Very high92.7Very high0 Ų037.2 Ų37.20%021%0.21CC..EExtended strand (participates in β ladder)trans-8386.5173-58.3-177.3000108.4T174 S218 C219 V221 G331 G332 W333 A336T174-L329 VanDerWaalsContact C-CD2 3.44Å; S218-L329 VanDerWaalsContact CA-O 3.28Å; S218-L329 WeakPolarHBondContact CA-O 3.22Å; C219-L329 PolarHBondContact N-O 2.68Å; C219-L329 PolarHBondContact O-N 2.92Å; V221-L329 HydrophobicContact CG1-CD1 4.16Å; V221-L329 HydrophobicContact CG2-CD1 4.01Å; V221-L329 HydrophobicContact CG2-CD2 4.37Å; V221-L329 HydrophobicContact CG2-CG 3.89Å; L329-G331 PolarHBondContact O-N 2.75Å; L329-G332 PolarHBondContact O-N 3.46Å; L329-W333 HydrophobicContact CD1-CD2 4.08Å; L329-W333 HydrophobicContact CD1-CE3 3.93Å; L329-W333 HydrophobicContact CD1-CH2 4.43Å; L329-W333 HydrophobicContact CD1-CZ3 4.1Å; L329-A336 HydrophobicContact CD1-CB 4.12Å; L329-A336 HydrophobicContact CD2-CB 4.25Å
330G87.6Confident92.7Very high15 Ų1537.5 Ų37.516%0.15520%0.195CC..THydrogen-bonded Turntrans-65.217.5-171.200000117.7R172 R328R172-G330 PolarHBondContact NH1-O 3.48Å; R172-G330 WeakPolarHBondContact O-CA 3.46Å; R172-G330 PolarHBondContact O-N 2.97Å; R328-G330 PolarHBondContact O-N 3.4Å
331G85.2Confident92.7Very high10 Ų1033.8 Ų33.810%0.10318%0.182CC..THydrogen-bonded Turntrans-152.122.4169.100000111.3L329 E335L329-G331 PolarHBondContact O-N 2.75Å; G331-E335 WeakPolarHBondContact O-CG 3.49Å; G331-E335 PolarHBondContact O-N 3.37Å
332G90Very high92.4Very high3 Ų329.7 Ų29.73%0.03116%0.164CC..Hα-helixtrans62-173.6-173.600000114.1N217 L329 R334 E335 A336N217-G332 WeakPolarHBondContact O-CA 3.33Å; N217-G332 PolarHBondContact O-N 2.99Å; L329-G332 PolarHBondContact O-N 3.46Å; G332-R334 PolarHBondContact O-N 2.82Å; G332-R334 VanDerWaalsContact O-N 3.13Å; G332-E335 PolarHBondContact O-N 3.12Å; G332-E335 VanDerWaalsContact O-N 3.17Å; G332-A336 PolarHBondContact O-N 3.4Å
333W91.8Very high92Very high3 Ų334.8 Ų34.81%0.01118%0.183CC..Hα-helixtrans-55.4-30.2176.8-66.5104.1000113.6V221 V279 R281 E297 L329 A336 I337 L373V221-W333 HydrophobicContact CG1-CH2 4.38Å; V221-W333 HydrophobicContact CG1-CZ2 3.85Å; V279-W333 HydrophobicContact CB-CH2 4.46Å; V279-W333 HydrophobicContact CB-CZ2 3.61Å; V279-W333 HydrophobicContact CG1-CD2 4.06Å; V279-W333 HydrophobicContact CG1-CH2 3.96Å; V279-W333 HydrophobicContact CG1-CZ2 3.47Å; V279-W333 VanDerWaalsContact CG1-CZ2 3.47Å; V279-W333 HydrophobicContact CG1-CZ3 4.48Å; V279-W333 HydrophobicContact CG2-CZ2 4.49Å; R281-W333 HydrophobicContact CB-CH2 4.11Å; R281-W333 HydrophobicContact CB-CZ3 3.73Å; R281-W333 HydrophobicContact CG-CE3 3.93Å; R281-W333 HydrophobicContact CG-CH2 3.86Å; R281-W333 HydrophobicContact CG-CZ3 3.45Å; R281-W333 VanDerWaalsContact CG-CZ3 3.45Å; E297-W333 HydrophobicContact CB-CZ2 3.98Å; E297-W333 PolarHBondContact OE2-NE1 2.96Å; L329-W333 HydrophobicContact CD1-CD2 4.08Å; L329-W333 HydrophobicContact CD1-CE3 3.93Å; L329-W333 HydrophobicContact CD1-CH2 4.43Å; L329-W333 HydrophobicContact CD1-CZ3 4.1Å; W333-A336 PolarHBondContact O-N 3.39Å; W333-I337 HydrophobicContact CB-CD1 4.39Å; W333-I337 HydrophobicContact CE3-CD1 3.87Å; W333-I337 WeakPolarHBondContact O-CB 3.49Å; W333-I337 PolarHBondContact O-N 2.9Å; W333-L373 HydrophobicContact CB-CD2 4.09Å; W333-L373 WeakPolarHBondContact O-CD2 3.32Å
334R90.1Very high91.6Very high114 Ų11434.9 Ų34.943%0.4320%0.198SC..Hα-helixtrans-65.2-37.2178.9-174.9-177175.4-86.88113.4G332 L373 H376G332-R334 PolarHBondContact O-N 2.82Å; G332-R334 VanDerWaalsContact O-N 3.13Å; R334-L373 VanDerWaalsContact CD-O 3.27Å; R334-L373 WeakPolarHBondContact CD-O 3.46Å; R334-L373 WeakPolarHBondContact CG-O 3.16Å; R334-H376 WeakPolarHBondContact CD-CD2 3.35Å; R334-H376 WeakPolarHBondContact CD-NE2 3.5Å; R334-H376 PolarHBondContact NE-NE2 3.47Å
335E91Very high91.3Very high59 Ų5941.9 Ų41.928%0.27623%0.228SC..Hα-helixtrans-85.8-23.7174.4-69.7-150.6143.100113.4R172 K173 G331 G332 F355R172-E335 IonicContact NH2-OE2 3.48Å; R172-E335 PolarHBondContact NH2-OE2 2.89Å; K173-E335 HydrophobicContact CG-CB 4.34Å; K173-E335 IonicContact NZ-OE1 3.29Å; K173-E335 PolarHBondContact NZ-OE1 3.29Å; K173-E335 IonicContact NZ-OE2 2.81Å; K173-E335 PolarHBondContact NZ-OE2 3.33Å; G331-E335 WeakPolarHBondContact O-CG 3.49Å; G331-E335 PolarHBondContact O-N 3.37Å; G332-E335 PolarHBondContact O-N 3.12Å; G332-E335 VanDerWaalsContact O-N 3.17Å; E335-F355 WeakPolarHBondContact O-CD1 3.37Å; E335-F355 WeakPolarHBondContact O-CE1 3.4Å
336A94.1Very high91.2Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-73.6-44.4178.300000112.6K173 T174 L329 G332 W333 L356K173-A336 WeakPolarHBondContact O-CA 3.33Å; K173-A336 VanDerWaalsContact O-CB 3.26Å; K173-A336 WeakPolarHBondContact O-CB 3.18Å; T174-A336 HydrophobicContact CG2-CB 4.5Å; L329-A336 HydrophobicContact CD1-CB 4.12Å; L329-A336 HydrophobicContact CD2-CB 4.25Å; G332-A336 PolarHBondContact O-N 3.4Å; W333-A336 PolarHBondContact O-N 3.39Å; A336-L356 HydrophobicContact CB-CD1 3.89Å; A336-L356 HydrophobicContact CB-CG 4.19Å; A336-L356 WeakPolarHBondContact O-CG 3.5Å; A336-L356 PolarHBondContact O-N 3.5Å
337I94.9Very high91.1Very high8 Ų846.3 Ų46.34%0.04126%0.257CS..BIsolated β-bridgetrans-87.8138.2-169.5-68166.5000112.1R281 W333 G339 L356 V358 L373R281-I337 HydrophobicContact CG-CD1 4.28Å; W333-I337 HydrophobicContact CB-CD1 4.39Å; W333-I337 HydrophobicContact CE3-CD1 3.87Å; W333-I337 WeakPolarHBondContact O-CB 3.49Å; W333-I337 PolarHBondContact O-N 2.9Å; I337-G339 PolarHBondContact O-N 3.16Å; I337-L356 WeakPolarHBondContact CA-O 3.24Å; I337-L356 HydrophobicContact CG1-CB 4.01Å; I337-L356 HydrophobicContact CG1-CD1 4.3Å; I337-V358 HydrophobicContact CD1-CG1 3.99Å; I337-V358 HydrophobicContact CG1-CG1 3.89Å; I337-V358 HydrophobicContact CG2-CG2 4.27Å; I337-L373 HydrophobicContact CB-CD1 4.28Å; I337-L373 HydrophobicContact CB-CD2 4.11Å; I337-L373 HydrophobicContact CD1-CD2 3.88Å; I337-L373 HydrophobicContact CG2-CD1 3.85Å
338C94.6Very high90.9Very high13 Ų1351.8 Ų51.89%0.08828%0.281CS..  trans-73.396.3178.5-1740000111.6L340 Y341 C346 F355 L356 H357C338-L340 PolarHBondContact O-N 2.94Å; C338-Y341 WeakPolarHBondContact O-CB 3.4Å; C338-Y341 PolarHBondContact O-N 2.92Å; C338-C346 VanDerWaalsContact SG-SG 3.69Å; C338-F355 HydrophobicContact CB-CB 3.87Å; C338-L356 PolarHBondContact N-O 3.34Å; C338-H357 WeakPolarHBondContact CB-CD2 3.26Å
339G90.1Very high90.7Very high50 Ų5051.1 Ų51.152%0.51529%0.29SS..THydrogen-bonded Turntrans-61.40.5177.300000116.6I337I337-G339 PolarHBondContact O-N 3.16Å
340L91.3Very high90.5Very high73 Ų7353.2 Ų53.238%0.38230%0.301SS..THydrogen-bonded Turntrans-106.5-11.2172.6-62-179.4000113.8C338 R343 K345 C346C338-L340 PolarHBondContact O-N 2.94Å; L340-R343 PolarHBondContact O-N 3.49Å; L340-K345 CarbonylContact O-C 3.6Å; L340-K345 PolarHBondContact O-N 2.82Å; L340-K345 VanDerWaalsContact O-N 3.09Å; L340-C346 HydrophobicContact CB-CB 4.48Å; L340-C346 PolarHBondContact O-N 3.32Å
341Y92.4Very high90.7Very high31 Ų3156.4 Ų56.412%0.12231%0.314CS..G310 helixtrans-66.3-60.7-172.8-179.3-120.5000112.5R284 C338 R343 G344 D350 H357R284-Y341 WeakPolarHBondContact CD-OH 3.38Å; R284-Y341 WeakPolarHBondContact CG-OH 3.32Å; R284-Y341 PolarHBondContact NE-OH 3.46Å; C338-Y341 WeakPolarHBondContact O-CB 3.4Å; C338-Y341 PolarHBondContact O-N 2.92Å; Y341-R343 PolarHBondContact O-N 3.23Å; Y341-G344 PolarHBondContact O-N 2.87Å; Y341-D350 WeakPolarHBondContact CE2-OD1 3.44Å; Y341-D350 PolarHBondContact OH-OD1 2.8Å; Y341-H357 HydrophobicContact CD1-CB 3.72Å; Y341-H357 HydrophobicContact CD2-CB 4Å; Y341-H357 AromaticContact CD2-CD2 4Å; Y341-H357 AromaticContact CD2-CE1 3.46Å; Y341-H357 VanDerWaalsContact CD2-CE1 3.46Å; Y341-H357 WeakPolarHBondContact CD2-CE1 3.43Å; Y341-H357 AromaticContact CD2-CG 3.48Å; Y341-H357 VanDerWaalsContact CD2-CG 3.48Å; Y341-H357 AromaticContact CD2-ND1 3.13Å; Y341-H357 WeakPolarHBondContact CD2-ND1 3.49Å; Y341-H357 AromaticContact CD2-NE2 3.97Å; Y341-H357 HydrophobicContact CE1-CB 3.81Å; Y341-H357 HydrophobicContact CE2-CB 4.09Å; Y341-H357 AromaticContact CE2-CE1 3.98Å; Y341-H357 AromaticContact CE2-CG 3.86Å; Y341-H357 AromaticContact CE2-ND1 3.31Å; Y341-H357 VanDerWaalsContact CE2-ND1 3.31Å; Y341-H357 WeakPolarHBondContact CE2-ND1 3.46Å; Y341-H357 HydrophobicContact CG-CB 3.8Å; Y341-H357 AromaticContact CG-CD2 3.92Å; Y341-H357 AromaticContact CG-CG 3.57Å; Y341-H357 AromaticContact CG-ND1 3.75Å
342H88Confident91Very high51 Ų5161.9 Ų61.924%0.23634%0.337CS..G310 helixtrans-68.89.5178.4-56.8-85.1000114.8V358 S366 L369H342-V358 PolarHBondContact CE1-O 3.12Å; H342-V358 VanDerWaalsContact NE2-CG2 3.3Å; H342-V358 WeakPolarHBondContact NE2-CG2 3.49Å; H342-V358 PolarHBondContact NE2-O 3.06Å; H342-S366 WeakPolarHBondContact CB-OG 3.49Å; H342-S366 PolarHBondContact O-OG 2.91Å; H342-L369 VanDerWaalsContact CD2-CD2 3.47Å; H342-L369 WeakPolarHBondContact CD2-CD2 3.43Å; H342-L369 VanDerWaalsContact NE2-CD2 3.28Å; H342-L369 WeakPolarHBondContact NE2-CD2 3.37Å
343R88.5Confident91.3Very high123 Ų12361.8 Ų61.846%0.46434%0.336SS..G310 helixtrans-107.21.3171-62.9177.4171.7-174.9-4112.4L340 Y341 K345 Q370L340-R343 PolarHBondContact O-N 3.49Å; Y341-R343 PolarHBondContact O-N 3.23Å; R343-K345 VanDerWaalsContact C-N 3.26Å; R343-K345 HydrophobicContact CB-CB 4.43Å; R343-K345 WeakPolarHBondContact O-CG 3.39Å; R343-K345 PolarHBondContact O-N 3.34Å; R343-Q370 VanDerWaalsContact NH2-CD 3.34Å
344G86.7Confident91.5Very high75 Ų7562.1 Ų62.177%0.77334%0.338SS*.THydrogen-bonded Turntrans67.721.3-174.800000114Y341Y341-G344 PolarHBondContact O-N 2.87Å
345K90.1Very high91.8Very high155 Ų15559.7 Ų59.767%0.67433%0.33SS*.  trans-130.823.6-163.4-73.2175-174.1-172.50114.3L340 R343 P347L340-K345 CarbonylContact O-C 3.6Å; L340-K345 PolarHBondContact O-N 2.82Å; L340-K345 VanDerWaalsContact O-N 3.09Å; R343-K345 VanDerWaalsContact C-N 3.26Å; R343-K345 HydrophobicContact CB-CB 4.43Å; R343-K345 WeakPolarHBondContact O-CG 3.39Å; R343-K345 PolarHBondContact O-N 3.34Å; K345-P347 VanDerWaalsContact O-CD 3.26Å; K345-P347 WeakPolarHBondContact O-CD 3.38Å
346C92.5Very high92Very high23 Ų2356.9 Ų56.916%0.15532%0.317CS..  trans-77.4111.5173.8-177.30000110.6C338 L340 K348 G349 H357C338-C346 VanDerWaalsContact SG-SG 3.69Å; L340-C346 HydrophobicContact CB-CB 4.48Å; L340-C346 PolarHBondContact O-N 3.32Å; C346-K348 PolarHBondContact O-N 3.09Å; C346-G349 PolarHBondContact O-N 2.88Å; C346-G349 VanDerWaalsContact O-N 3.17Å; C346-H357 PolarHBondContact SG-NE2 3.41Å
347P91.6Very high92.1Very high116 Ų11656.9 Ų56.975%0.75332%0.317SS*.THydrogen-bonded Turntrans-73.14.2-174.432.7-38.1000113.9K345K345-P347 VanDerWaalsContact O-CD 3.26Å; K345-P347 WeakPolarHBondContact O-CD 3.38Å
348K91.5Very high92.1Very high115 Ų11556.5 Ų56.550%0.532%0.315SS..THydrogen-bonded Turntrans-105.7-9.6176.8-61.6-174.2178.9-62.50113.1C346 H352 C353C346-K348 PolarHBondContact O-N 3.09Å; K348-H352 HydrophobicContact CB-CB 4.38Å; K348-H352 WeakPolarHBondContact O-CB 3.41Å; K348-H352 PolarHBondContact O-N 3.42Å; K348-C353 HydrophobicContact CB-CB 3.99Å
349G89.8Confident92.2Very high36 Ų3656.1 Ų56.137%0.37131%0.312SS..Hα-helixtrans58.4-175.1-168.700000113C346 L351 C353 H357C346-G349 PolarHBondContact O-N 2.88Å; C346-G349 VanDerWaalsContact O-N 3.17Å; G349-L351 VanDerWaalsContact C-N 3.33Å; G349-C353 WeakPolarHBondContact O-CB 3.32Å; G349-C353 PolarHBondContact O-N 2.8Å; G349-H357 PolarHBondContact O-CE1 2.95Å
350D89.7Confident92.4Very high45 Ų4556.3 Ų56.324%0.24130%0.301CS..Hα-helixtrans-72.8-24.8178.7-69.1-59000113.6L286 A287 Y341 H357L286-D350 HydrophobicContact CB-CB 4.04Å; L286-D350 HydrophobicContact CD1-CB 4.05Å; L286-D350 HydrophobicContact CG-CB 3.72Å; L286-D350 PolarHBondContact N-O 3.4Å; A287-D350 PolarHBondContact N-O 2.97Å; Y341-D350 WeakPolarHBondContact CE2-OD1 3.44Å; Y341-D350 PolarHBondContact OH-OD1 2.8Å; D350-H357 IonicContact OD1-CE1 2.79Å; D350-H357 IonicContact OD1-CG 3.82Å; D350-H357 IonicContact OD1-ND1 3.19Å; D350-H357 PolarHBondContact OD1-ND1 3.43Å
351L91Very high92.4Very high81 Ų8153.4 Ų53.442%0.42429%0.286SS..Hα-helixtrans-78.6-33.3-174.3-17258.9000113.7T236 L286 A287 G349T236-L351 HydrophobicContact CG2-CD1 3.53Å; L286-L351 HydrophobicContact CB-CB 4.46Å; L286-L351 HydrophobicContact CB-CD1 4.21Å; A287-L351 WeakPolarHBondContact CA-O 3.1Å; A287-L351 WeakPolarHBondContact CB-O 3Å; G349-L351 VanDerWaalsContact C-N 3.33Å
352H92.2Very high92.4Very high126 Ų12653.9 Ų53.958%0.58329%0.293SS*.Hα-helixtrans-118.83.6-172.6-49.1107.3000114.5K348K348-H352 HydrophobicContact CB-CB 4.38Å; K348-H352 WeakPolarHBondContact O-CB 3.41Å; K348-H352 PolarHBondContact O-N 3.42Å
353C95.3Very high92.4Very high1 Ų155.4 Ų55.41%0.00732%0.322CS..  trans-79.2125.5174.6-162.70000111.5N285 K348 G349 F355 H357N285-C353 PolarHBondContact ND2-O 2.95Å; K348-C353 HydrophobicContact CB-CB 3.99Å; G349-C353 WeakPolarHBondContact O-CB 3.32Å; G349-C353 PolarHBondContact O-N 2.8Å; C353-F355 VanDerWaalsContact C-N 3.34Å; C353-F355 PolarHBondContact SG-N 3.37Å; C353-H357 WeakPolarHBondContact CB-NE2 3.34Å; C353-H357 PolarHBondContact SG-NE2 3.05Å
354N95.8Very high92.3Very high10 Ų1050.1 Ų50.15%0.05330%0.303CS..  trans-90.64.9175.7-58.7-14000112.8F170F170-N354 HydrophobicContact CD1-CB 3.48Å; F170-N354 VanDerWaalsContact CD1-CB 3.48Å; F170-N354 HydrophobicContact CE1-CB 3.62Å; F170-N354 VanDerWaalsContact CE1-ND2 3.34Å; F170-N354 WeakPolarHBondContact CE1-ND2 3.19Å; F170-N354 HydrophobicContact CG-CB 4.2Å; F170-N354 HydrophobicContact CZ-CB 4.41Å; F170-N354 VanDerWaalsContact CZ-ND2 3.28Å; F170-N354 WeakPolarHBondContact CZ-ND2 3.49Å
355F96.4Very high92.4Very high63 Ų6349.8 Ų49.828%0.27629%0.286SS..SBendtrans-106153.1174.9-67.4-81.8000109.9K173 T174 N285 E335 C338 C353 H357K173-F355 HydrophobicContact CD-CE1 4.13Å; T174-F355 HydrophobicContact CG2-CD1 4.29Å; N285-F355 PolarHBondContact ND2-O 3Å; E335-F355 WeakPolarHBondContact O-CD1 3.37Å; E335-F355 WeakPolarHBondContact O-CE1 3.4Å; C338-F355 HydrophobicContact CB-CB 3.87Å; C353-F355 VanDerWaalsContact C-N 3.34Å; C353-F355 PolarHBondContact SG-N 3.37Å; F355-H357 PolarHBondContact O-N 3.03Å; F355-H357 VanDerWaalsContact O-N 3.09Å
356L96.6Very high92.3Very high0 Ų044.5 Ų44.50%027%0.268CS..BIsolated β-bridgetrans-65.8113.2-175.9-47.8-173.1000109.8T174 L290 Y295 A336 I337 C338 V358T174-L356 HydrophobicContact CG2-CD2 4.26Å; T174-L356 HydrophobicContact CG2-CG 4.37Å; L290-L356 HydrophobicContact CD1-CD2 4.15Å; L290-L356 HydrophobicContact CD2-CD2 3.41Å; L290-L356 VanDerWaalsContact CD2-CD2 3.41Å; L290-L356 HydrophobicContact CG-CD2 4.37Å; Y295-L356 HydrophobicContact CD2-CD1 4.01Å; Y295-L356 HydrophobicContact CE2-CD1 4.03Å; Y295-L356 HydrophobicContact CE2-CD2 3.76Å; Y295-L356 HydrophobicContact CG-CD1 4.32Å; A336-L356 HydrophobicContact CB-CD1 3.89Å; A336-L356 HydrophobicContact CB-CG 4.19Å; A336-L356 WeakPolarHBondContact O-CG 3.5Å; A336-L356 PolarHBondContact O-N 3.5Å; I337-L356 WeakPolarHBondContact CA-O 3.24Å; I337-L356 HydrophobicContact CG1-CB 4.01Å; I337-L356 HydrophobicContact CG1-CD1 4.3Å; C338-L356 PolarHBondContact N-O 3.34Å; L356-V358 HydrophobicContact CB-CG1 4.02Å
357H95.7Very high92Very high0 Ų047.8 Ų47.80%028%0.284CS..  trans-88.5104163.3-71.8-165.2000105.4C283 R284 N285 C338 Y341 C346 G349 D350 C353 F355C283-H357 CarbonylContact C-O 3.53Å; C283-H357 WeakPolarHBondContact CA-O 3.47Å; R284-H357 PolarHBondContact N-O 2.85Å; N285-H357 PolarHBondContact OD1-N 3.14Å; N285-H357 PolarHBondContact OD1-O 2.78Å; C338-H357 WeakPolarHBondContact CB-CD2 3.26Å; Y341-H357 HydrophobicContact CD1-CB 3.72Å; Y341-H357 HydrophobicContact CD2-CB 4Å; Y341-H357 AromaticContact CD2-CD2 4Å; Y341-H357 AromaticContact CD2-CE1 3.46Å; Y341-H357 VanDerWaalsContact CD2-CE1 3.46Å; Y341-H357 WeakPolarHBondContact CD2-CE1 3.43Å; Y341-H357 AromaticContact CD2-CG 3.48Å; Y341-H357 VanDerWaalsContact CD2-CG 3.48Å; Y341-H357 AromaticContact CD2-ND1 3.13Å; Y341-H357 WeakPolarHBondContact CD2-ND1 3.49Å; Y341-H357 AromaticContact CD2-NE2 3.97Å; Y341-H357 HydrophobicContact CE1-CB 3.81Å; Y341-H357 HydrophobicContact CE2-CB 4.09Å; Y341-H357 AromaticContact CE2-CE1 3.98Å; Y341-H357 AromaticContact CE2-CG 3.86Å; Y341-H357 AromaticContact CE2-ND1 3.31Å; Y341-H357 VanDerWaalsContact CE2-ND1 3.31Å; Y341-H357 WeakPolarHBondContact CE2-ND1 3.46Å; Y341-H357 HydrophobicContact CG-CB 3.8Å; Y341-H357 AromaticContact CG-CD2 3.92Å; Y341-H357 AromaticContact CG-CG 3.57Å; Y341-H357 AromaticContact CG-ND1 3.75Å; C346-H357 PolarHBondContact SG-NE2 3.41Å; G349-H357 PolarHBondContact O-CE1 2.95Å; D350-H357 IonicContact OD1-CE1 2.79Å; D350-H357 IonicContact OD1-CG 3.82Å; D350-H357 IonicContact OD1-ND1 3.19Å; D350-H357 PolarHBondContact OD1-ND1 3.43Å; C353-H357 WeakPolarHBondContact CB-NE2 3.34Å; C353-H357 PolarHBondContact SG-NE2 3.05Å; F355-H357 PolarHBondContact O-N 3.03Å; F355-H357 VanDerWaalsContact O-N 3.09Å
358V95.5Very high91.7Very high0 Ų044.4 Ų44.40%026%0.26CS..BIsolated β-bridgetrans-91.4155.5-174-600000111.1R281 T282 I337 H342 L356 L369R281-V358 HydrophobicContact CB-CG1 3.94Å; R281-V358 HydrophobicContact CG-CG1 4.4Å; T282-V358 CarbonylContact O-C 3.59Å; T282-V358 VanDerWaalsContact O-CA 3.29Å; T282-V358 WeakPolarHBondContact O-CA 3.11Å; I337-V358 HydrophobicContact CD1-CG1 3.99Å; I337-V358 HydrophobicContact CG1-CG1 3.89Å; I337-V358 HydrophobicContact CG2-CG2 4.27Å; H342-V358 PolarHBondContact CE1-O 3.12Å; H342-V358 VanDerWaalsContact NE2-CG2 3.3Å; H342-V358 WeakPolarHBondContact NE2-CG2 3.49Å; H342-V358 PolarHBondContact NE2-O 3.06Å; L356-V358 HydrophobicContact CB-CG1 4.02Å; V358-L369 HydrophobicContact CG2-CD2 3.62Å
359F95.4Very high91.5Very high4 Ų439 Ų392%0.01824%0.236CC..PPolyproline II helixtrans-72.4150.7157.2-69.8-92.3000109.4F228 L233 L255 L256 Y259 T282 R284F228-F359 AromaticContact CD1-CE2 3.82Å; F228-F359 HydrophobicContact CD1-CE2 3.82Å; F228-F359 HydrophobicContact CD1-CZ 4.06Å; F228-F359 HydrophobicContact CE1-CE1 4.33Å; F228-F359 AromaticContact CE1-CE2 3.83Å; F228-F359 HydrophobicContact CE1-CE2 3.83Å; F228-F359 AromaticContact CE1-CZ 3.58Å; F228-F359 HydrophobicContact CE1-CZ 3.58Å; L233-F359 HydrophobicContact CD1-CE2 4.49Å; L233-F359 HydrophobicContact CD1-CZ 4.37Å; L233-F359 HydrophobicContact CD2-CZ 4.48Å; L255-F359 HydrophobicContact CD1-CE1 4.12Å; L255-F359 HydrophobicContact CD1-CZ 4.04Å; L255-F359 HydrophobicContact CD2-CE1 4.43Å; L255-F359 HydrophobicContact CG-CE1 4.14Å; L256-F359 HydrophobicContact CD2-CD1 4.3Å; Y259-F359 HydrophobicContact CD1-CB 3.65Å; Y259-F359 AromaticContact CD1-CD1 3.75Å; Y259-F359 HydrophobicContact CD1-CD1 3.75Å; Y259-F359 AromaticContact CD1-CG 3.8Å; Y259-F359 HydrophobicContact CD1-CG 3.8Å; Y259-F359 HydrophobicContact CD2-CB 4.26Å; Y259-F359 HydrophobicContact CD2-CD1 4.14Å; Y259-F359 AromaticContact CD2-CD2 3.94Å; Y259-F359 HydrophobicContact CD2-CD2 3.94Å; Y259-F359 HydrophobicContact CD2-CE1 4.5Å; Y259-F359 HydrophobicContact CD2-CE2 4.32Å; Y259-F359 AromaticContact CD2-CG 3.86Å; Y259-F359 HydrophobicContact CD2-CG 3.86Å; Y259-F359 HydrophobicContact CE1-CB 3.27Å; Y259-F359 HydrophobicContact CE1-CD1 4.29Å; Y259-F359 AromaticContact CE1-CG 3.89Å; Y259-F359 HydrophobicContact CE1-CG 3.89Å; Y259-F359 HydrophobicContact CE2-CB 3.96Å; Y259-F359 AromaticContact CE2-CD2 3.99Å; Y259-F359 HydrophobicContact CE2-CD2 3.99Å; Y259-F359 AromaticContact CE2-CG 3.97Å; Y259-F359 HydrophobicContact CE2-CG 3.97Å; Y259-F359 HydrophobicContact CG-CB 4.14Å; Y259-F359 AromaticContact CG-CD1 3.68Å; Y259-F359 HydrophobicContact CG-CD1 3.68Å; Y259-F359 HydrophobicContact CG-CD2 4.31Å; Y259-F359 HydrophobicContact CG-CE1 4.13Å; Y259-F359 AromaticContact CG-CG 3.79Å; Y259-F359 HydrophobicContact CG-CG 3.79Å; Y259-F359 VanDerWaalsContact CZ-CB 3.43Å; Y259-F359 AromaticContact CZ-CG 3.97Å; T282-F359 HydrophobicContact CG2-CD2 4.05Å; T282-F359 HydrophobicContact CG2-CE2 4.34Å; T282-F359 WeakPolarHBondContact O-CD2 3.17Å; T282-F359 PolarHBondContact O-N 3.3Å; R284-F359 HydrophobicContact CB-CD1 4.49Å; R284-F359 HydrophobicContact CB-CD2 3.82Å; R284-F359 HydrophobicContact CB-CE1 4.22Å; R284-F359 HydrophobicContact CB-CE2 3.5Å; R284-F359 VanDerWaalsContact CB-CE2 3.5Å; R284-F359 HydrophobicContact CB-CG 4.3Å; R284-F359 HydrophobicContact CB-CZ 3.7Å; R284-F359 HydrophobicContact CG-CE1 4.02Å; R284-F359 HydrophobicContact CG-CE2 4.02Å; R284-F359 HydrophobicContact CG-CZ 3.66Å
360L93.8Very high91.2Very high54 Ų5440.6 Ų40.628%0.28323%0.234SC..PPolyproline II helixtrans-76.6134.5164.4-64.1177.3000108Y259 E364 L369Y259-L360 WeakPolarHBondContact CE1-O 3.36Å; L360-E364 HydrophobicContact CD2-CG 4.42Å; L360-L369 HydrophobicContact CD2-CB 4.04Å; L360-L369 HydrophobicContact CD2-CD2 3.68Å
361N93Very high90.8Very high13 Ų1343.2 Ų43.27%0.0724%0.243CC..PPolyproline II helixtrans-72.8154.1179.1-66.3-27.8000110.6Y259 Y263 I280 G363 E364Y259-N361 PolarHBondContact OH-OD1 2.76Å; Y263-N361 HydrophobicContact CE2-CB 3.79Å; Y263-N361 WeakPolarHBondContact CE2-OD1 3.33Å; I280-N361 PolarHBondContact O-ND2 3.29Å; N361-G363 PolarHBondContact O-N 3.28Å; N361-E364 HydrophobicContact CB-CB 4.32Å; N361-E364 WeakPolarHBondContact CB-OE2 3.48Å; N361-E364 PolarHBondContact N-OE2 3.11Å; N361-E364 VanDerWaalsContact O-CB 3.25Å; N361-E364 WeakPolarHBondContact O-CB 3.33Å; N361-E364 PolarHBondContact O-N 2.91Å
362P91.6Very high90.3Very high41 Ų4139.5 Ų39.527%0.26622%0.224SC..THydrogen-bonded Turntrans-50115.3175.3-2934.7000112.9H260 Y263H260-P362 HydrophobicContact CB-CG 4.34Å; Y263-P362 HydrophobicContact CD1-CG 3.55Å; Y263-P362 HydrophobicContact CE1-CG 4.05Å; Y263-P362 HydrophobicContact CG-CG 4.02Å
363G87.5Confident89.8Confident82 Ų8234.3 Ų34.385%0.84520%0.201SC*.THydrogen-bonded Turntrans92.1-1-177.400000116.1N361N361-G363 PolarHBondContact O-N 3.28Å
364E87.9Confident88.9Confident13 Ų1342.7 Ų42.76%0.06123%0.232CC..  trans-94.3136.8176.8-176.9168.5-142.800112R281 L360 N361 L369 L380R281-E364 IonicContact CZ-OE1 3.62Å; R281-E364 IonicContact CZ-OE2 3.55Å; R281-E364 IonicContact NH1-OE1 3.67Å; R281-E364 PolarHBondContact NH1-OE1 3.4Å; R281-E364 IonicContact NH1-OE2 2.7Å; R281-E364 PolarHBondContact NH1-OE2 3.32Å; R281-E364 IonicContact NH2-OE1 3.7Å; R281-E364 PolarHBondContact NH2-OE1 2.96Å; R281-E364 IonicContact NH2-OE2 2.81Å; L360-E364 HydrophobicContact CD2-CG 4.42Å; N361-E364 HydrophobicContact CB-CB 4.32Å; N361-E364 WeakPolarHBondContact CB-OE2 3.48Å; N361-E364 PolarHBondContact N-OE2 3.11Å; N361-E364 VanDerWaalsContact O-CB 3.25Å; N361-E364 WeakPolarHBondContact O-CB 3.33Å; N361-E364 PolarHBondContact O-N 2.91Å; E364-L369 HydrophobicContact CG-CB 4.46Å; E364-L380 HydrophobicContact CB-CD1 4.1Å; E364-L380 HydrophobicContact CG-CD1 4.2Å; E364-L380 HydrophobicContact CG-CD2 4.09Å; E364-L380 HydrophobicContact CG-CG 4.44Å
365T88.4Confident87.5Confident68 Ų6848.3 Ų48.342%0.41725%0.252SS..  trans-99.2158.4170.880.70000112.1N367 D368 L369T365-N367 PolarHBondContact O-N 3.47Å; T365-N367 PolarHBondContact OG1-N 3.17Å; T365-D368 WeakPolarHBondContact CB-OD2 3.39Å; T365-D368 WeakPolarHBondContact CG2-OD2 3.49Å; T365-D368 PolarHBondContact N-OD2 2.84Å; T365-D368 PolarHBondContact O-N 3.18Å; T365-D368 VanDerWaalsContact OG1-CG 3.26Å; T365-D368 PolarHBondContact OG1-N 3.39Å; T365-D368 PolarHBondContact OG1-OD2 2.91Å; T365-L369 PolarHBondContact O-N 3.31Å
366S86.8Confident86Confident44 Ų4448.6 Ų48.631%0.30825%0.254SS..Hα-helixtrans-53.1-34170.8175.40000112.6H342 Q370H342-S366 WeakPolarHBondContact CB-OG 3.49Å; H342-S366 PolarHBondContact O-OG 2.91Å; S366-Q370 WeakPolarHBondContact O-CB 3.41Å; S366-Q370 PolarHBondContact O-N 3.45Å
367N86.1Confident84.4Confident92 Ų9251.8 Ų51.849%0.49227%0.274SS..Hα-helixtrans-70-38.8176.1-1704.3000111.6T365 Q370 K371T365-N367 PolarHBondContact O-N 3.47Å; T365-N367 PolarHBondContact OG1-N 3.17Å; N367-Q370 WeakPolarHBondContact O-CB 3.46Å; N367-Q370 PolarHBondContact O-N 2.92Å; N367-K371 VanDerWaalsContact O-CG 3.3Å; N367-K371 WeakPolarHBondContact O-CG 3.31Å; N367-K371 PolarHBondContact O-N 3.45Å; N367-K371 VanDerWaalsContact OD1-CE 3.26Å; N367-K371 WeakPolarHBondContact OD1-CE 3.37Å
368D86.1Confident82.5Confident44 Ų4452 Ų5224%0.23528%0.276CS..Hα-helixtrans-72.1-42.3179.5-54.4-51000111.5T365 Q370 K371 T372 L380T365-D368 WeakPolarHBondContact CB-OD2 3.39Å; T365-D368 WeakPolarHBondContact CG2-OD2 3.49Å; T365-D368 PolarHBondContact N-OD2 2.84Å; T365-D368 PolarHBondContact O-N 3.18Å; T365-D368 VanDerWaalsContact OG1-CG 3.26Å; T365-D368 PolarHBondContact OG1-N 3.39Å; T365-D368 PolarHBondContact OG1-OD2 2.91Å; D368-Q370 PolarHBondContact O-N 2.61Å; D368-K371 PolarHBondContact O-N 2.98Å; D368-K371 VanDerWaalsContact O-N 3.11Å; D368-K371 IonicContact OD1-NZ 2.75Å; D368-K371 PolarHBondContact OD1-NZ 2.94Å; D368-T372 WeakPolarHBondContact O-CG2 3.32Å; D368-T372 PolarHBondContact O-N 3.27Å; D368-T372 PolarHBondContact O-OG1 3.48Å; D368-L380 HydrophobicContact CB-CD2 3.64Å
369L86.1Confident80.7Confident3 Ų355.1 Ų55.12%0.01629%0.288CS..Hα-helixtrans-57.8-38.1168.1176.559000111.7H342 V358 L360 E364 T365 T372 L373H342-L369 VanDerWaalsContact CD2-CD2 3.47Å; H342-L369 WeakPolarHBondContact CD2-CD2 3.43Å; H342-L369 VanDerWaalsContact NE2-CD2 3.28Å; H342-L369 WeakPolarHBondContact NE2-CD2 3.37Å; V358-L369 HydrophobicContact CG2-CD2 3.62Å; L360-L369 HydrophobicContact CD2-CB 4.04Å; L360-L369 HydrophobicContact CD2-CD2 3.68Å; E364-L369 HydrophobicContact CG-CB 4.46Å; T365-L369 PolarHBondContact O-N 3.31Å; L369-T372 WeakPolarHBondContact CA-OG1 3.46Å; L369-T372 PolarHBondContact O-OG1 3.1Å; L369-L373 HydrophobicContact CD1-CD1 3.88Å; L369-L373 HydrophobicContact CD1-CG 4Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 WeakPolarHBondContact O-CB 3.44Å; L369-L373 WeakPolarHBondContact O-CD1 3.37Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.03Å
370Q83.8Confident78.8Confident68 Ų6858.8 Ų58.832%0.31831%0.307SS..Hα-helixtrans-64.7-44.8173.9-174.2175.7-6600111.7R343 S366 N367 D368 T372 L373 W374R343-Q370 VanDerWaalsContact NH2-CD 3.34Å; S366-Q370 WeakPolarHBondContact O-CB 3.41Å; S366-Q370 PolarHBondContact O-N 3.45Å; N367-Q370 WeakPolarHBondContact O-CB 3.46Å; N367-Q370 PolarHBondContact O-N 2.92Å; D368-Q370 PolarHBondContact O-N 2.61Å; Q370-T372 PolarHBondContact O-N 3.48Å; Q370-L373 PolarHBondContact O-N 2.95Å; Q370-W374 WeakPolarHBondContact O-CB 3.44Å; Q370-W374 VanDerWaalsContact O-CD1 3.25Å; Q370-W374 PolarHBondContact O-N 3.49Å
371K82.5Confident77Confident100 Ų10058.3 Ų58.344%0.43530%0.304SS..Hα-helixtrans-61.1-40.9179.3-69164.8-157161.80112.6N367 D368 W374 R375N367-K371 VanDerWaalsContact O-CG 3.3Å; N367-K371 WeakPolarHBondContact O-CG 3.31Å; N367-K371 PolarHBondContact O-N 3.45Å; N367-K371 VanDerWaalsContact OD1-CE 3.26Å; N367-K371 WeakPolarHBondContact OD1-CE 3.37Å; D368-K371 PolarHBondContact O-N 2.98Å; D368-K371 VanDerWaalsContact O-N 3.11Å; D368-K371 IonicContact OD1-NZ 2.75Å; D368-K371 PolarHBondContact OD1-NZ 2.94Å; K371-W374 PolarHBondContact O-N 3.5Å; K371-R375 PolarHBondContact O-N 3.45Å; K371-R375 VanDerWaalsContact O-N 3.15Å
372T80.6Confident74.9Confident3 Ų360 Ų602%0.01832%0.317CS..Hα-helixtrans-65.6-52.7179.955.90000109.9D368 L369 Q370 W374 R375 H376 V377 R379 L380 I381D368-T372 WeakPolarHBondContact O-CG2 3.32Å; D368-T372 PolarHBondContact O-N 3.27Å; D368-T372 PolarHBondContact O-OG1 3.48Å; L369-T372 WeakPolarHBondContact CA-OG1 3.46Å; L369-T372 PolarHBondContact O-OG1 3.1Å; Q370-T372 PolarHBondContact O-N 3.48Å; T372-W374 VanDerWaalsContact C-N 3.29Å; T372-W374 PolarHBondContact O-N 3.34Å; T372-R375 CarbonylContact O-C 3.59Å; T372-R375 WeakPolarHBondContact O-CA 3.4Å; T372-R375 PolarHBondContact O-N 2.6Å; T372-H376 PolarHBondContact O-N 3.22Å; T372-H376 VanDerWaalsContact O-N 3.17Å; T372-V377 CarbonylContact C-O 3.56Å; T372-V377 WeakPolarHBondContact CA-O 3.49Å; T372-V377 WeakPolarHBondContact CB-O 3.48Å; T372-V377 PolarHBondContact O-N 3.04Å; T372-R379 WeakPolarHBondContact CG2-O 3.39Å; T372-L380 HydrophobicContact CG2-CD2 4.13Å; T372-I381 HydrophobicContact CG2-CG1 4.48Å
373L81.7Confident72.8Confident18 Ų1863.4 Ų63.49%0.09434%0.339CS..Hα-helixtrans-56.5-38.6174.8-63.9171.3000113.1W333 R334 I337 L369 Q370 R375 H376W333-L373 HydrophobicContact CB-CD2 4.09Å; W333-L373 WeakPolarHBondContact O-CD2 3.32Å; R334-L373 VanDerWaalsContact CD-O 3.27Å; R334-L373 WeakPolarHBondContact CD-O 3.46Å; R334-L373 WeakPolarHBondContact CG-O 3.16Å; I337-L373 HydrophobicContact CB-CD1 4.28Å; I337-L373 HydrophobicContact CB-CD2 4.11Å; I337-L373 HydrophobicContact CD1-CD2 3.88Å; I337-L373 HydrophobicContact CG2-CD1 3.85Å; L369-L373 HydrophobicContact CD1-CD1 3.88Å; L369-L373 HydrophobicContact CD1-CG 4Å; L369-L373 HydrophobicContact CG-CD1 3.98Å; L369-L373 WeakPolarHBondContact O-CB 3.44Å; L369-L373 WeakPolarHBondContact O-CD1 3.37Å; L369-L373 WeakPolarHBondContact O-CG 3.43Å; L369-L373 PolarHBondContact O-N 3.03Å; Q370-L373 PolarHBondContact O-N 2.95Å; L373-R375 VanDerWaalsContact C-N 3.31Å; L373-R375 PolarHBondContact O-N 2.61Å; L373-H376 PolarHBondContact O-N 3.35Å; L373-H376 VanDerWaalsContact O-N 3.12Å
374W74.8Confident71Confident177 Ų17764.8 Ų64.867%0.6733%0.331SS*.Hα-helixtrans-67-29.1176.1-94.386.4000113.9Q370 K371 T372 H376Q370-W374 WeakPolarHBondContact O-CB 3.44Å; Q370-W374 VanDerWaalsContact O-CD1 3.25Å; Q370-W374 PolarHBondContact O-N 3.49Å; K371-W374 PolarHBondContact O-N 3.5Å; T372-W374 VanDerWaalsContact C-N 3.29Å; T372-W374 PolarHBondContact O-N 3.34Å; W374-H376 VanDerWaalsContact C-N 3.3Å
375R67.7Low69.3Low127 Ų12768.6 Ų68.648%0.47935%0.352SS..THydrogen-bonded Turntrans-89.49.7172.1-77.6178.8165.6170.1-4.1113.2K371 T372 L373 V377 I381 N386K371-R375 PolarHBondContact O-N 3.45Å; K371-R375 VanDerWaalsContact O-N 3.15Å; T372-R375 CarbonylContact O-C 3.59Å; T372-R375 WeakPolarHBondContact O-CA 3.4Å; T372-R375 PolarHBondContact O-N 2.6Å; L373-R375 VanDerWaalsContact C-N 3.31Å; L373-R375 PolarHBondContact O-N 2.61Å; R375-V377 PolarHBondContact O-N 3.36Å; R375-I381 HydrophobicContact CB-CD1 4.07Å; R375-I381 HydrophobicContact CG-CD1 4.35Å; R375-N386 PolarHBondContact NH1-OD1 3.39Å; R375-N386 PolarHBondContact NH2-OD1 3.22Å
376H65.2Low67.4Low69 Ų6968.7 Ų68.732%0.31935%0.35SS..THydrogen-bonded Turntrans62.5-7.7-176.7-66.7-138.8000116N217 R334 T372 L373 W374N217-H376 VanDerWaalsContact CG-ND1 3.28Å; N217-H376 PolarHBondContact ND2-ND1 2.96Å; N217-H376 WeakPolarHBondContact OD1-CB 3.33Å; N217-H376 PolarHBondContact OD1-ND1 2.95Å; R334-H376 WeakPolarHBondContact CD-CD2 3.35Å; R334-H376 WeakPolarHBondContact CD-NE2 3.5Å; R334-H376 PolarHBondContact NE-NE2 3.47Å; T372-H376 PolarHBondContact O-N 3.22Å; T372-H376 VanDerWaalsContact O-N 3.17Å; L373-H376 PolarHBondContact O-N 3.35Å; L373-H376 VanDerWaalsContact O-N 3.12Å; W374-H376 VanDerWaalsContact C-N 3.3Å
377V62.1Low65.2Low68 Ų6873.9 Ų73.941%0.41237%0.374SS..  trans-82.6128.3176.11760000109.9T372 R375 R379 I381T372-V377 CarbonylContact C-O 3.56Å; T372-V377 WeakPolarHBondContact CA-O 3.49Å; T372-V377 WeakPolarHBondContact CB-O 3.48Å; T372-V377 PolarHBondContact O-N 3.04Å; R375-V377 PolarHBondContact O-N 3.36Å; V377-R379 VanDerWaalsContact C-N 3.33Å; V377-R379 HydrophobicContact CG1-CB 3.87Å; V377-I381 HydrophobicContact CG1-CG1 4.44Å
378G56.8Low63Low3 Ų372.4 Ų72.43%0.03138%0.38CS..  trans-78-16.1177.200000114.9V279 R281V279-G378 WeakPolarHBondContact CG1-O 3.48Å; R281-G378 PolarHBondContact NH2-O 3.21Å
379R57.7Low60.8Low67 Ų6778.9 Ų78.925%0.25341%0.409SS..SBendtrans-83.4140.5-175.9179.6-168.8-89.1-71.514.2110.7I277 S278 V279 S299 T372 V377 I381I277-R379 VanDerWaalsContact O-CZ 3.32Å; I277-R379 PolarHBondContact O-NH1 2.9Å; I277-R379 PolarHBondContact O-NH2 3.03Å; S278-R379 WeakPolarHBondContact O-CB 3.32Å; S278-R379 WeakPolarHBondContact O-CG 3.49Å; S278-R379 PolarHBondContact O-NH1 3.28Å; V279-R379 HydrophobicContact CG2-CB 3.9Å; V279-R379 VanDerWaalsContact CG2-N 3.25Å; S299-R379 PolarHBondContact OG-NH2 2.95Å; T372-R379 WeakPolarHBondContact CG2-O 3.39Å; V377-R379 VanDerWaalsContact C-N 3.33Å; V377-R379 HydrophobicContact CG1-CB 3.87Å; R379-I381 PolarHBondContact O-N 3.44Å; R379-I381 VanDerWaalsContact O-N 3.16Å
380L55.1Low58.4Low81 Ų8181.6 Ų81.642%0.42444%0.438SS..  trans-57.6115.8165.2-78.7176.5000111.4E364 D368 T372E364-L380 HydrophobicContact CB-CD1 4.1Å; E364-L380 HydrophobicContact CG-CD1 4.2Å; E364-L380 HydrophobicContact CG-CD2 4.09Å; E364-L380 HydrophobicContact CG-CG 4.44Å; D368-L380 HydrophobicContact CB-CD2 3.64Å; T372-L380 HydrophobicContact CG2-CD2 4.13Å
381I54.5Low56.3Low44 Ų4485.8 Ų85.823%0.22646%0.463CS..  trans-77.1128.1-178.3-60.6172.9000108.7T372 R375 V377 R379 D385T372-I381 HydrophobicContact CG2-CG1 4.48Å; R375-I381 HydrophobicContact CB-CD1 4.07Å; R375-I381 HydrophobicContact CG-CD1 4.35Å; V377-I381 HydrophobicContact CG1-CG1 4.44Å; R379-I381 PolarHBondContact O-N 3.44Å; R379-I381 VanDerWaalsContact O-N 3.16Å; I381-D385 HydrophobicContact CG2-CB 3.6Å
382S48.8Very low54.2Low49 Ų4992.4 Ų92.434%0.34349%0.485SS..  trans-66.7148.8179-174.10000110.3V384 D385 N386S382-V384 PolarHBondContact O-N 2.9Å; S382-V384 VanDerWaalsContact O-N 3.1Å; S382-D385 WeakPolarHBondContact CA-OD2 3.44Å; S382-D385 VanDerWaalsContact CB-OD2 3.26Å; S382-D385 WeakPolarHBondContact CB-OD2 3.45Å; S382-D385 PolarHBondContact N-OD2 2.67Å; S382-D385 PolarHBondContact O-N 3.23Å; S382-N386 PolarHBondContact O-ND2 3.48Å
383P49.4Very low52.1Low112 Ų11295 Ų9573%0.72751%0.512SS*.G310 helixtrans-50.6-34.1169.7-28.836.7000113D385 N386P383-D385 VanDerWaalsContact C-N 3.33Å; P383-D385 PolarHBondContact O-N 3.49Å; P383-N386 PolarHBondContact O-N 3.01Å; P383-N386 PolarHBondContact O-ND2 2.99Å
384V49.7Very low49.7Very low110 Ų110104.9 Ų104.967%0.66755%0.548SS*.G310 helixtrans-62.1-36.1179.4-171.40000112.6S382 N386S382-V384 PolarHBondContact O-N 2.9Å; S382-V384 VanDerWaalsContact O-N 3.1Å; V384-N386 PolarHBondContact O-N 3.33Å
385D51.2Low48Very low94 Ų94102.2 Ų102.250%0.50355%0.554SS.*G310 helixtrans-72.2-14.9-174.1-48.9-28.6000112.4I381 S382 P383 N387I381-D385 HydrophobicContact CG2-CB 3.6Å; S382-D385 WeakPolarHBondContact CA-OD2 3.44Å; S382-D385 VanDerWaalsContact CB-OD2 3.26Å; S382-D385 WeakPolarHBondContact CB-OD2 3.45Å; S382-D385 PolarHBondContact N-OD2 2.67Å; S382-D385 PolarHBondContact O-N 3.23Å; P383-D385 VanDerWaalsContact C-N 3.33Å; P383-D385 PolarHBondContact O-N 3.49Å; D385-N387 PolarHBondContact O-N 3.11Å
386N48.4Very low46.6Very low70 Ų70101.7 Ų101.737%0.37457%0.569SS.*G310 helixtrans-74.5-8.7-176.4-66.8-70.3000114.4R375 S382 P383 V384 G388R375-N386 PolarHBondContact NH1-OD1 3.39Å; R375-N386 PolarHBondContact NH2-OD1 3.22Å; S382-N386 PolarHBondContact O-ND2 3.48Å; P383-N386 PolarHBondContact O-N 3.01Å; P383-N386 PolarHBondContact O-ND2 2.99Å; V384-N386 PolarHBondContact O-N 3.33Å; N386-G388 VanDerWaalsContact C-N 3.33Å
387N41.5Very low45.4Very low152 Ų152104.1 Ų104.181%0.81359%0.589SS**G310 helixtrans-80.1-9.9-179.7-74.1-12.9000114.1D385D385-N387 PolarHBondContact O-N 3.11Å
388G39.7Very low44.2Very low61 Ų61107.2 Ų107.263%0.62961%0.608SS**SBendtrans-77.8-52.6-173.700000115.1N386N386-G388 VanDerWaalsContact C-N 3.33Å
389H39.3Very low43.3Very low180 Ų180116.7 Ų116.783%0.83365%0.648SS**  trans-127.993.5-178.8-87.7-85.4000111.3D391H389-D391 PolarHBondContact O-N 3.34Å
390G36.4Very low42.1Very low61 Ų61118.1 Ų118.163%0.62967%0.668SS**  trans-69.8122.4164.400000110.2R392G390-R392 PolarHBondContact O-N 3.29Å
391D39.6Very low41.2Very low156 Ų156122.7 Ų122.783%0.83469%0.687SS**  trans-56.6102.9167.1175.49.4000109H389 G393H389-D391 PolarHBondContact O-N 3.34Å; D391-G393 PolarHBondContact O-N 3.03Å; D391-G393 PolarHBondContact OD1-N 3.16Å
392R38.7Very low40.5Very low239 Ų239124.4 Ų124.490%0.90270%0.703SS**  trans-80.361.2175.4-74.6-175.6175.4163.50.3109.7G390 R394G390-R392 PolarHBondContact O-N 3.29Å; R392-R394 PolarHBondContact O-N 2.95Å
393G36.7Very low40Very low57 Ų57129.2 Ų129.259%0.58873%0.725SS**  trans-59.980.3170.600000111.9D391D391-G393 PolarHBondContact O-N 3.03Å; D391-G393 PolarHBondContact OD1-N 3.16Å
394R31.3Very low39.4Very low225 Ų225130.9 Ų130.985%0.84973%0.728SS**  trans21.792.5159.3-172.6-178.5-179.6-138.72.3114.5R392 S396R392-R394 PolarHBondContact O-N 2.95Å; R394-S396 PolarHBondContact O-N 3.21Å
395P37.2Very low38.9Very low122 Ų122131 Ų13179%0.79273%0.733SS**PPolyproline II helixtrans-52.4125.7172.3-25.634.7000110.8
396S38.3Very low38.4Very low116 Ų116131 Ų13181%0.81174%0.741SS**PPolyproline II helixtrans-63.5140.2176.7-168.10000110R394 V398R394-S396 PolarHBondContact O-N 3.21Å; S396-V398 PolarHBondContact O-N 3.43Å
397T40.5Very low38.1Very low119 Ų119134.8 Ų134.873%0.7376%0.76SS**PPolyproline II helixtrans-63.4119.4-170.246.10000112.8
398V37.6Very low38Very low134 Ų134133.8 Ų133.881%0.81275%0.754SS**  trans15.5117.4149.9-78.20000118.2S396S396-V398 PolarHBondContact O-N 3.43Å
399K36.9Very low38Very low202 Ų202138.5 Ų138.588%0.87876%0.759SS**  trans-151.1117.3146.5-111.9166.3-174.9176.90110.6
400S33.2Very low37.9Very low96 Ų96139.9 Ų139.967%0.67176%0.757SS**  trans18.5151.5148.6-25.70000121.2
401H37Very low38.2Very low177 Ų177143.3 Ų143.382%0.81976%0.756SS**  cis-144.6163.420.8-101.8-71.5000114.3
402S38.6Very low38.3Very low80 Ų80143.6 Ų143.656%0.55975%0.752SS**  trans-59.3160172.949.90000118.4
403N37.9Very low38.4Very low150 Ų150139.3 Ų139.380%0.80274%0.743SS**  trans72.8154.7161.7-48.5-21.7000115.4
404N38.7Very low38.6Very low148 Ų148144 Ų14479%0.79175%0.749SS**  cis-145155.22.6-143.9-4000106.2
405S39.2Very low39Very low111 Ų111142.8 Ų142.878%0.77674%0.744SS**  -169.7177.661.854.50000112
406S40.7Very low39.2Very low94 Ų94143.2 Ų143.266%0.65774%0.74SS**  trans-136.6176.6-177.254.40000112
407L41.4Very low39.2Very low151 Ų151148.5 Ų148.579%0.79174%0.742SS**  trans76153170.2-50.6175.4000115.1
408I39.5Very low39.3Very low131 Ų131152.3 Ų152.367%0.67274%0.743SS**  cis-156.2136.43.3-126.6157.5000111.6
409H39Very low39.5Very low160 Ų160152.6 Ų152.674%0.74174%0.735SS**  trans57.4172.7157.8-71.6-123.2000119.1
410R37.9Very low39.8Very low208 Ų208148.3 Ų148.379%0.78573%0.726SS**  cis-164.2131.921.2-154.9162.1-165.4164.73.3115.1
411H42.5Very low40.2Very low134 Ų134153.4 Ų153.462%0.6273%0.73SS**  trans42.3168.2157.5-53.3-46.9000121.6
412Q40.9Very low40.3Very low161 Ų161153.8 Ų153.875%0.75273%0.725SS**  cis-131.4153-2.1-103.5105.9-13.400108.7
413H42Very low40.6Very low150 Ų150157.8 Ų157.869%0.69473%0.734SS**  49.1142.380.7-68-98.4000116
414H40.7Very low40.7Very low156 Ų156156 Ų15672%0.72273%0.734SS**  cis-151.917310.9-134.7-70.5000114.9
415R39.8Very low41Very low199 Ų199153.5 Ų153.575%0.75173%0.728SS**  trans-61.7160-172.1-87.2177.1176.5176.80.2123.3
416D40.6Very low41.2Very low130 Ų130154.6 Ų154.670%0.69573%0.73SS**  trans57.7129.3137.9-52-15.6000124.6
417R39Very low41.3Very low227 Ų227154.6 Ų154.686%0.85773%0.73SS**  171.9136.2111.6-97.3177.3-178.5-163.61.7115.9
418R41.8Very low41.5Very low200 Ų200154.9 Ų154.976%0.75573%0.731SS**  trans49.2153.1133.1-82.8167.6173.4-115.18.7120.6
419E43.1Very low41.5Very low139 Ų139153.6 Ų153.665%0.6573%0.734SS**  cis-163.6-179.15.6-143.4159.3129.600112.8
420V42.3Very low41.7Very low112 Ų112150.6 Ų150.668%0.67973%0.731SS**  trans74.1115161.3172.40000117.5
421R40.7Very low41.8Very low204 Ų204149.9 Ų149.977%0.7774%0.736SS**  74.113875.9-108.8179.2-178.2160.1-1.9113.3
422R40.9Very low41.9Very low185 Ų185147.6 Ų147.670%0.69874%0.735SS**  cis-148.8157.618.7-77.9179.4163.495.7-7.5113.1
423Q43.9Very low41.9Very low163 Ų163151 Ų15176%0.76274%0.741SS**  trans28136.7136.3-59.7152.6-47.100119.5
424S40.6Very low42Very low114 Ų114148.6 Ų148.680%0.79774%0.741SS**  -171.2175.452.3-770000110.8
425S44.5Very low42Very low94 Ų94146.5 Ų146.566%0.65774%0.744SS**  cis-176.4146.7-30.257.40000110.6
426T43.9Very low42.3Very low135 Ų135142.8 Ų142.883%0.82875%0.748SS**  trans59.4148.6164.2460000118.9
427S42.8Very low42.5Very low94 Ų94142.1 Ų142.166%0.65775%0.751SS**  cis-156.31390.139.50000110.2
428I45Very low42.6Very low156 Ų156139.6 Ų139.680%0.875%0.753SS**  55.6130.3101.6-46.4159.6000113.2
429S40.3Very low42.5Very low105 Ų105133.6 Ų133.673%0.73475%0.753SS**  cis-131.3162.723.545.60000112.1
430S42.4Very low42.2Very low97 Ų97133.7 Ų133.768%0.67876%0.758SS**  cis94.89819.284.60000117.5
431H40.8Very low42.2Very low193 Ų193137.8 Ų137.889%0.89477%0.769SS**  trans-153.5177.4149.2-116.3-86.7000110.1
432S44.1Very low42.1Very low86 Ų86135.9 Ų135.960%0.60177%0.769SS**  trans-165.3170.8-166.467.50000114.8
433R41.1Very low42Very low233 Ų233132.4 Ų132.488%0.87977%0.773SS**  trans82.9148.3163.3-63168.2-175.2-164.9-0.9116.2
434S43.5Very low41.9Very low99 Ų99129.6 Ų129.669%0.69277%0.771SS**  cis-167.8147.3-10.542.10000114.3
435S42.2Very low41.7Very low112 Ų112136.1 Ų136.178%0.78378%0.778SS**  trans42.9124.7141.5-49.40000123.3
436S45.7Very low41.4Very low120 Ų120137.3 Ų137.384%0.83979%0.787SS**  175.7144.3109-73.80000113.5
437P43.9Very low41.1Very low116 Ų116139.7 Ų139.775%0.75379%0.786SS**  trans-127.2-176.3176.441.3-28.2000115.7
438I41.7Very low41Very low175 Ų175142.6 Ų142.690%0.89779%0.794SS**  trans97130.9165.3-57.3158.7000116.6
439G38.8Very low40.5Very low74 Ų74142.3 Ų142.376%0.76379%0.794SS**  trans173.579.7171.200000114
440N37.3Very low40.6Very low141 Ų141148.2 Ų148.275%0.75480%0.801SS**  trans-102.3136.4172-935.9000110.6
441H43.1Very low40.4Very low197 Ų197152.9 Ų152.991%0.91281%0.81SS**  trans-142.8151160.8-97.5-84.4000111.8
442H38.2Very low40.3Very low165 Ų165151.3 Ų151.376%0.76481%0.808SS**  trans-129.3155.4-173.9-73.7-77.7000113
443S38.7Very low40Very low111 Ų111151.5 Ų151.578%0.77681%0.809SS**  trans95.9165.4137.785.70000121.1
444S40.7Very low39.8Very low104 Ų104151.4 Ų151.473%0.72781%0.809SS**  trans72.1112-179.471.40000115.4
445R36.6Very low39.5Very low251 Ų251154.1 Ų154.195%0.94782%0.815SS**  75.4103.858.7-82.5-176.7155.4175.2-4.9113.7
446S38.4Very low39.4Very low120 Ų120153 Ų15384%0.83981%0.806SS**  -149.4165.6127.4-162.30000110.9
447K38.6Very low39Very low185 Ų185154.1 Ų154.180%0.80480%0.799SS**  trans-107157.2169.8-63.1170.9178.1173.80108.1
448N40Very low38.8Very low155 Ų155157.3 Ų157.383%0.82980%0.797SS**  trans-156134.4133.7-100.9-29.2000111.6
449N35.7Very low38.6Very low149 Ų149157.1 Ų157.180%0.79779%0.792SS**  trans-96.1132.8166.3-75.5-44.2000107.6
450Y40.8Very low38.6Very low229 Ų229157.8 Ų157.890%0.89879%0.785SS**  trans-135132.5148.4-102.1-83.3000110.8
451K39.5Very low38.8Very low196 Ų196158.6 Ų158.685%0.85278%0.784SS**  trans-85.5144.7171.9-56.7169-177.8173.30107.7
452N37.6Very low38.6Very low160 Ų160158 Ų15886%0.85677%0.773SS**  trans-146.2156.7136.3-141.2-12.9000111.8
453S37.1Very low38.6Very low90 Ų90158.2 Ų158.263%0.62977%0.772SS**  trans-131.6154.5-174.359.30000110.7
454R37.7Very low38.5Very low230 Ų230158.4 Ų158.487%0.86877%0.773SS**  167.4161.3129.8-91.4158.2-178.4-163.1-1.5111.7
455L37.2Very low38.6Very low157 Ų157163.3 Ų163.382%0.82278%0.782SS**  trans67118.7174.8-55.4171.8000112.8
456S40.4Very low38.7Very low87 Ų87161.8 Ų161.861%0.60878%0.776SS**  cis63.6142.128.596.40000112.8
457E37.2Very low38.6Very low144 Ų144162.8 Ų162.867%0.67377%0.772SS**  cis-163.1179.121.6-154.5157.2147.200112.1
458Y39.8Very low38.6Very low184 Ų184163.7 Ų163.772%0.72278%0.776SS**  trans67140.3176.7-64-99.9000116.3
459H38Very low38.4Very low171 Ų171164.9 Ų164.979%0.79278%0.776SS**  cis-147.3165.8-7.9-139.224000111.1
460S37.6Very low38.6Very low88 Ų88164.6 Ų164.662%0.61578%0.78SS**  trans-129.8158.3-173.180.30000113
461H41.2Very low38.2Very low157 Ų157159.2 Ų159.273%0.72778%0.776SS**  trans147.6149.1154.5-80.38.2000110.6
462R38.9Very low38.3Very low184 Ų184156 Ų15669%0.69478%0.778SS**  cis-159.5145.2-2.4-119.5172.8-178-153.93.6111
463K39.4Very low38.3Very low170 Ų170152.4 Ų152.474%0.73978%0.779SS**  trans40.1121.5147.5-59.4172.3-177.7-174.70119.2
464S37.3Very low38.2Very low115 Ų115153.3 Ų153.380%0.80479%0.785SS**  cis74.2100.143.8-167.10000117.3
465K41.8Very low38.3Very low207 Ų207153.8 Ų153.890%0.979%0.787SS**  trans-151.6117.9145.8-68-173.9-177.6176.50105.3
466R38.7Very low38.3Very low220 Ų220157.6 Ų157.683%0.8379%0.79SS**  cis94.393.146.1-167.6178.2-173.2-176.22.7113.6
467N35.7Very low38.1Very low140 Ų140159.3 Ų159.375%0.74980%0.802SS**  trans39.3127.6146.4-5213.6000121
468K38.5Very low38.1Very low205 Ų205157.6 Ų157.689%0.89181%0.806SS**  -153.8136.4118-114.5173.9-178.1-179.20111
469H35.9Very low38.2Very low179 Ų179156 Ų15683%0.82981%0.809SS**  trans-98.4142.5166-67.8-87.7000109
470T40.2Very low38.2Very low143 Ų143155.2 Ų155.288%0.87781%0.811SS**  trans-138.8129.4159.443.90000108.1
471S33.2Very low38Very low117 Ų117162 Ų16282%0.81882%0.823SS**  trans-130.2113.1-172.255.60000111.3
472S41.9Very low37.8Very low129 Ų129159.6 Ų159.690%0.90282%0.824SS**  trans-161.1153.717054.10000110
473G36Very low37.9Very low84 Ų84156.2 Ų156.287%0.86683%0.826SS**  trans119.256.2173.400000116.7
474S36.7Very low37.6Very low108 Ų108152.9 Ų152.976%0.75582%0.824SS**  trans-103.6110.7174.5170.20000112.9
475R39.2Very low37.8Very low241 Ų241156 Ų15691%0.90983%0.828SS**  trans-144.2108154.8-63.1-172.2-179.9-178.80.1106.8
476R36.2Very low37.5Very low236 Ų236153.3 Ų153.389%0.89182%0.823SS**  57.191.773.5-75-163.7174.5-152.71.9114.5
477S37.6Very low37.2Very low123 Ų123148.1 Ų148.186%0.8682%0.82SS**  -152.5122.2127.150.50000110.3
478S35.7Very low37.3Very low108 Ų108147.4 Ų147.476%0.75583%0.826SS**  trans-89.5152.6163.651.40000109.1
479L42.4Very low37.1Very low151 Ų151142.8 Ų142.879%0.79182%0.82SS**  trans-169131.9139.3-103.1159.2000112.6
480N37.7Very low37.1Very low155 Ų155140.3 Ų140.383%0.82982%0.817SS**  trans68.4156.3155.4-64.5-11.7000121.6
481R33.8Very low37.2Very low231 Ų231141.6 Ų141.687%0.87281%0.812SS**  trans-152.1144.6-155.2-155.9-171.9-168.6-159.33.6108
482S37.4Very low37.8Very low106 Ų106146.3 Ų146.374%0.74182%0.818SS**  trans68167.7163.2-51.10000117.5
483P40.2Very low37.8Very low113 Ų113149.8 Ų149.873%0.73482%0.817SS**  cis-120.7173.8-14.721.31.1000113.8
484S34.3Very low38.2Very low100 Ų100153.9 Ų153.970%0.69981%0.813SS**  trans-65.6144.1166.551.10000113.3
485M40Very low38.7Very low180 Ų180156.7 Ų156.789%0.88781%0.812SS**  trans-133142.3158.9-80.7-65.4172.800110.4
486L36.7Very low38.9Very low151 Ų151154.4 Ų154.479%0.79181%0.809SS**  trans-96.7165.6179.7-76.391000112.2
487S32.8Very low39.1Very low110 Ų110150 Ų15077%0.76980%0.798SS**  trans53.895.7146.860.30000119.3
488S36.3Very low39.3Very low125 Ų125150.4 Ų150.487%0.87479%0.787SS**  trans167.8153.8137.442.70000109.6
489S35.8Very low39.7Very low109 Ų109153.8 Ų153.876%0.76279%0.789SS**  cis-155.5172.6-28.4-169.20000108.1H491S489-H491 PolarHBondContact O-N 3.41Å
490V36Very low39.7Very low127 Ų127153.7 Ų153.777%0.7778%0.784SS**  trans-37.3120167.41790000112.6
491H41.8Very low39.8Very low169 Ų169155.8 Ų155.878%0.78278%0.78SS**  trans-172.3-9.2150.2-109.8-60.7000118.3S489 K493S489-H491 PolarHBondContact O-N 3.41Å; H491-K493 PolarHBondContact O-N 3.42Å
492K44.9Very low40.2Very low217 Ų217148.8 Ų148.894%0.94377%0.767SS**THydrogen-bonded Turntrans-61.93.2-169.6-83.2-173.2174.8-179.40118.3
493K43.3Very low40.4Very low202 Ų202151.9 Ų151.988%0.87877%0.769SS**THydrogen-bonded Turntrans-82.7-12-174.2-88-172.2172.2-176.90117.2H491H491-K493 PolarHBondContact O-N 3.42Å
494H43.5Very low40.6Very low169 Ų169155.6 Ų155.678%0.78277%0.774SS**SBendtrans-95.4-18.4-172.7-100.7-113.6000117.3K496H494-K496 PolarHBondContact O-N 3.11Å
495K47Very low40.9Very low168 Ų168161.9 Ų161.973%0.7378%0.782SS**THydrogen-bonded Turntrans-80.5-11.6-168.5-128.1178.5-176.5-178.10115.4E55E55-K495 IonicContact OE2-NZ 3.23Å
496K43.3Very low41Very low193 Ų193160.9 Ų160.984%0.83978%0.779SS**THydrogen-bonded Turntrans-82.9-26.6-171.9-146.8178-174.1-172.20114.5H494H494-K496 PolarHBondContact O-N 3.11Å
497H39.9Very low41.3Very low144 Ų144164 Ų16467%0.66779%0.786SS**SBendtrans-86.3-8.1-167-144.9-37.5000115.9
498M42.7Very low41.4Very low130 Ų130162.5 Ų162.564%0.6479%0.787SS**SBendtrans-95.5-28.4-174.9-79.9-65.4-176.400115.1E500 R501M498-E500 PolarHBondContact O-N 3.15Å; M498-R501 PolarHBondContact O-N 2.87Å
499K44.1Very low41.6Very low180 Ų180163.6 Ų163.678%0.78379%0.789SS**Hα-helixtrans-66.4-33.7-173.9-110.4-173.4175-172.70113.5R501K499-R501 VanDerWaalsContact C-N 3.34Å; K499-R501 PolarHBondContact O-N 3.1Å
500E42.8Very low41.8Very low148 Ų148172 Ų17269%0.69281%0.811SS**Hα-helixtrans-73.8-20.1-176.7-62.7-177.8109.800114.5M498M498-E500 PolarHBondContact O-N 3.15Å
501R40.4Very low42.1Very low199 Ų199174.2 Ų174.275%0.75181%0.813SS**Hα-helixtrans-85.3-19.2-177.9-82.7-174.9164.3-173.4-3.5114.4M498 K499M498-R501 PolarHBondContact O-N 2.87Å; K499-R501 VanDerWaalsContact C-N 3.34Å; K499-R501 PolarHBondContact O-N 3.1Å
502S40.7Very low42.1Very low84 Ų84174.5 Ų174.559%0.58782%0.815SS**Hα-helixtrans-74.4-37.7180-159.80000112.6K504S502-K504 VanDerWaalsContact C-N 3.28Å; S502-K504 PolarHBondContact O-N 3.35Å
503H43.2Very low42Very low171 Ų171172.1 Ų172.179%0.79281%0.808SS**THydrogen-bonded Turntrans-78.32.9-173-76.5-85000115.9
504K44.1Very low41.9Very low192 Ų192170.4 Ų170.484%0.83580%0.804SS**THydrogen-bonded Turntrans-110.921.6-178.7-77.3-175.1173.9175.70114.7S502S502-K504 VanDerWaalsContact C-N 3.28Å; S502-K504 PolarHBondContact O-N 3.35Å
505R39.9Very low41.8Very low232 Ų232170.4 Ų170.488%0.87581%0.805SS**SBendtrans-134.711.2-176.7-130.1177.8-172.5-171.8-0.4117.4
506I43Very low41.4Very low159 Ų159170.6 Ų170.682%0.81581%0.81SS**SBendtrans-127.459.8179.2-43.9-179.3000110.9
507K42.6Very low41.3Very low217 Ų217169 Ų16994%0.94381%0.808SS**SBendtrans-147.5122.4160.5-72.2-164.9175.9-174.10108
508G35.1Very low41.4Very low77 Ų77170.9 Ų170.979%0.79482%0.819SS**  trans110.455.1173.500000117.4
509V38.7Very low41.3Very low149 Ų149174.3 Ų174.390%0.90383%0.834SS**  trans-144.682.5151.4-173.60000109.8
510K41Very low41Very low284 Ų284173.8 Ų173.8100%1.23584%0.838SS**  trans-177.50146.9-106.3-179.1179.6-174.20108.7

Retrieved 510 of 510 residues in 440.4 ms (Link to these results)

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