A0A077ZHX7_TRITR Loading...

FMN dh and TroA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 684 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
1M48.6Very low89.5Confident244 Ų24492.8 Ų92.8100%1.20249%0.485SS*.  0151.60-66.1167.8-179.400106.8
2T77.2Confident90.2Very high126 Ų12686.3 Ų86.377%0.77345%0.45SS*.  trans-66144.5162.834.70000109.2
3Y87.1Confident90.8Very high43 Ų4392.1 Ų92.117%0.16947%0.474CS..  trans-65.5143.3174.3-178.3-96.1000110.3A5 E29 A32 L94 P187 L188Y3-A5 HydrophobicContact CD1-CB 4.41Å; Y3-A5 HydrophobicContact CE1-CB 3.95Å; Y3-E29 HydrophobicContact CE2-CB 3.99Å; Y3-E29 HydrophobicContact CE2-CG 4.45Å; Y3-A32 HydrophobicContact CE2-CB 3.97Å; Y3-A32 WeakPolarHBondContact OH-CB 3.35Å; Y3-L94 HydrophobicContact CE1-CD2 4.38Å; Y3-L94 WeakPolarHBondContact CE1-O 3.45Å; Y3-L94 HydrophobicContact CE2-CD2 4.46Å; Y3-L94 PolarHBondContact OH-O 3.49Å; Y3-P187 HydrophobicContact CD1-CG 4.37Å; Y3-P187 HydrophobicContact CD2-CB 4Å; Y3-P187 HydrophobicContact CD2-CG 3.41Å; Y3-P187 VanDerWaalsContact CD2-CG 3.41Å; Y3-P187 HydrophobicContact CE2-CG 3.91Å; Y3-P187 HydrophobicContact CG-CB 4.15Å; Y3-P187 HydrophobicContact CG-CG 3.68Å; Y3-L188 HydrophobicContact CD1-CD1 3.99Å; Y3-L188 HydrophobicContact CD1-CD2 4.38Å; Y3-L188 HydrophobicContact CD1-CG 4.16Å; Y3-L188 HydrophobicContact CE1-CD1 4.36Å
4Q90.9Very high91.3Very high167 Ų16787 Ų8778%0.7845%0.448SS*.  trans-119.1106.6179.4-69.4-177.2-21.400108.6
5A94.6Very high91.7Very high30 Ų3088.8 Ų88.825%0.24846%0.464CS..  trans-83.5178.9170.700000110.6Y3 G93 E97Y3-A5 HydrophobicContact CD1-CB 4.41Å; Y3-A5 HydrophobicContact CE1-CB 3.95Å; A5-G93 VanDerWaalsContact CB-O 3.31Å; A5-G93 WeakPolarHBondContact CB-O 3.4Å; A5-E97 HydrophobicContact CB-CB 4.47Å
6S96.9Very high92.1Very high10 Ų1086.7 Ų86.77%0.0745%0.453CS..BIsolated β-bridgetrans-64.9150.7164.9-177.20000111.5E8 R27 A95 H96 E97 N326S6-E8 WeakPolarHBondContact OG-CG 3.46Å; S6-E8 PolarHBondContact OG-N 2.88Å; S6-E8 VanDerWaalsContact OG-N 3.13Å; S6-R27 PolarHBondContact OG-NH2 3.33Å; S6-A95 WeakPolarHBondContact CB-O 3.32Å; S6-A95 PolarHBondContact N-O 2.68Å; S6-H96 CarbonylContact O-C 3.6Å; S6-H96 VanDerWaalsContact O-CA 3.3Å; S6-H96 WeakPolarHBondContact O-CA 3.23Å; S6-H96 PolarHBondContact O-CD2 3.23Å; S6-E97 PolarHBondContact O-N 3.45Å; S6-N326 WeakPolarHBondContact CB-O 3.46Å; S6-N326 PolarHBondContact OG-O 3.31Å
7N97.1Very high92.4Very high107 Ų10781.6 Ų81.657%0.57243%0.427SS*.  trans-128.918.2164.465.6-14.5000112.2H96 E97N7-H96 PolarHBondContact O-NE2 2.98Å; N7-E97 HydrophobicContact CB-CG 4.08Å
8E97.5Very high92.6Very high74 Ų7480.7 Ų80.735%0.34643%0.433SS..  trans-67.1131.8175.7-55.2-76-159.800110.1S6 H10 R27 H96 G328 G329S6-E8 WeakPolarHBondContact OG-CG 3.46Å; S6-E8 PolarHBondContact OG-N 2.88Å; S6-E8 VanDerWaalsContact OG-N 3.13Å; E8-H10 IonicContact OE2-NE2 2.61Å; E8-R27 VanDerWaalsContact CG-NH2 3.34Å; E8-R27 IonicContact OE1-NH1 3.77Å; E8-R27 PolarHBondContact OE1-NH1 2.89Å; E8-H96 PolarHBondContact N-NE2 3.36Å; E8-H96 VanDerWaalsContact N-NE2 3.16Å; E8-H96 PolarHBondContact O-CD2 2.84Å; E8-H96 PolarHBondContact O-NE2 3.25Å; E8-G328 CarbonylContact O-C 3.08Å; E8-G329 WeakPolarHBondContact O-CA 3.47Å; E8-G329 PolarHBondContact O-N 2.58Å
9E97.8Very high92.8Very high65 Ų6579.1 Ų79.130%0.30443%0.429SS..  trans-137.292.3177.9-81.8-94.8-11300108H96 K98 G329 A330E9-H96 VanDerWaalsContact CG-NE2 3.26Å; E9-H96 WeakPolarHBondContact CG-NE2 3.35Å; E9-H96 IonicContact OE1-CE1 2.69Å; E9-K98 IonicContact OE1-NZ 3.96Å; E9-K98 PolarHBondContact OE1-NZ 2.99Å; E9-G329 WeakPolarHBondContact OE2-CA 3.01Å; E9-A330 PolarHBondContact OE2-N 2.64Å
10H98.3Very high93.1Very high74 Ų7475.1 Ų75.134%0.34341%0.407SS..SBendtrans-167.6158.9179.360.274.5000111.2E8 L327 G328 E331 G332E8-H10 IonicContact OE2-NE2 2.61Å; H10-L327 PolarHBondContact CE1-O 3.41Å; H10-L327 VanDerWaalsContact CE1-O 3.32Å; H10-G328 PolarHBondContact N-O 3.09Å; H10-G328 VanDerWaalsContact N-O 3.14Å; H10-G328 WeakPolarHBondContact O-CA 3.4Å; H10-E331 VanDerWaalsContact C-CB 3.44Å; H10-G332 PolarHBondContact O-N 3.18Å
11P98.4Very high93.3Very high81 Ų8173.9 Ų73.953%0.52640%0.399SS..  trans-60.6149.4170.7-21.834000111.6E331P11-E331 VanDerWaalsContact CD-OE2 3.32Å; P11-E331 WeakPolarHBondContact CD-OE2 3.11Å; P11-E331 HydrophobicContact CG-CB 4.36Å; P11-E331 VanDerWaalsContact CG-OE2 3.3Å; P11-E331 WeakPolarHBondContact CG-OE2 3.34Å
12I98.3Very high95.6Very high14 Ų1464.1 Ų64.17%0.07236%0.36CS..  trans-118.3135.4179.563.9173000111.8I14 L327 S335I12-I14 HydrophobicContact CD1-CD1 4.05Å; I12-I14 HydrophobicContact CD1-CG1 4.13Å; I12-I14 HydrophobicContact CG1-CD1 4Å; I12-I14 HydrophobicContact CG1-CG1 3.9Å; I12-L327 HydrophobicContact CD1-CB 3.94Å; I12-L327 HydrophobicContact CD1-CD1 4.22Å; I12-L327 HydrophobicContact CG2-CB 4.02Å; I12-L327 VanDerWaalsContact CG2-O 3.31Å; I12-L327 WeakPolarHBondContact CG2-O 3.3Å; I12-S335 PolarHBondContact N-OG 3.18Å; I12-S335 VanDerWaalsContact N-OG 3.08Å
13E97.6Very high96.5Very high162 Ų16262.3 Ų62.376%0.75734%0.339SS*.  trans-70.9131.4169.4-172.4176-171.300109.8R23E13-R23 PolarHBondContact O-NH1 2.99Å
14I98.4Very high97Very high21 Ų2160.3 Ų60.311%0.10833%0.332CS..  trans-130.5111.2-179.1-51.5179.4000109.2I12 N16 I17 L20 S335 V336 H339I12-I14 HydrophobicContact CD1-CD1 4.05Å; I12-I14 HydrophobicContact CD1-CG1 4.13Å; I12-I14 HydrophobicContact CG1-CD1 4Å; I12-I14 HydrophobicContact CG1-CG1 3.9Å; I14-N16 WeakPolarHBondContact CG2-O 3.09Å; I14-I17 HydrophobicContact CG2-CD1 4.19Å; I14-L20 HydrophobicContact CD1-CD1 4.17Å; I14-L20 HydrophobicContact CG1-CD1 4.49Å; I14-L20 HydrophobicContact CG1-CD2 4.25Å; I14-L20 HydrophobicContact CG2-CD1 4.34Å; I14-L20 HydrophobicContact CG2-CD2 4.3Å; I14-L20 HydrophobicContact CG2-CG 4.48Å; I14-S335 WeakPolarHBondContact CD1-O 3.42Å; I14-V336 HydrophobicContact CD1-CB 4.42Å; I14-V336 HydrophobicContact CD1-CG2 3.8Å; I14-H339 HydrophobicContact CB-CB 4.2Å; I14-H339 HydrophobicContact CD1-CB 3.99Å; I14-H339 HydrophobicContact CG2-CB 4.26Å; I14-H339 WeakPolarHBondContact CG2-ND1 3.11Å; I14-H339 PolarHBondContact O-CE1 3.01Å; I14-H339 PolarHBondContact O-ND1 3.25Å
15V97.2Very high97.3Very high114 Ų11458.5 Ų58.569%0.69132%0.321SS*.SBendtrans-79.1-37.9171.8-179.40000110.9
16N97.1Very high97.2Very high55 Ų5565.5 Ų65.529%0.29435%0.349SS..  trans-161.8160.6168.759.679.1000108.7I14 A18 S19I14-N16 WeakPolarHBondContact CG2-O 3.09Å; N16-A18 VanDerWaalsContact C-N 3.3Å; N16-A18 PolarHBondContact O-N 3.03Å; N16-A18 WeakPolarHBondContact OD1-CB 3.39Å; N16-A18 PolarHBondContact OD1-N 3.35Å; N16-A18 VanDerWaalsContact OD1-N 3.12Å; N16-S19 PolarHBondContact O-OG 3.26Å; N16-S19 PolarHBondContact OD1-N 3.11Å
17I98Very high97.1Very high0 Ų069.6 Ų69.60%036%0.363CS..SBendtrans-65.9-29.9-179.9-60.5-61.4000113.1I14 S19 L20 R299 P320 V336 L340I14-I17 HydrophobicContact CG2-CD1 4.19Å; I17-S19 PolarHBondContact O-N 3.22Å; I17-L20 HydrophobicContact CD1-CD1 4.22Å; I17-L20 WeakPolarHBondContact O-CB 3.09Å; I17-L20 WeakPolarHBondContact O-CG 3.21Å; I17-L20 PolarHBondContact O-N 3.02Å; I17-R299 WeakPolarHBondContact CB-O 3.46Å; I17-R299 WeakPolarHBondContact CG1-O 3.19Å; I17-P320 HydrophobicContact CG2-CB 3.66Å; I17-P320 HydrophobicContact CG2-CG 3.72Å; I17-V336 HydrophobicContact CD1-CG1 4.05Å; I17-L340 HydrophobicContact CD1-CD1 4.36Å; I17-L340 HydrophobicContact CD1-CG 4.13Å; I17-L340 HydrophobicContact CG1-CD1 4.4Å; I17-L340 HydrophobicContact CG1-CD2 3.94Å; I17-L340 HydrophobicContact CG1-CG 4.07Å
18A95.8Very high97Very high66 Ų6665.6 Ų65.655%0.54534%0.341SS..Hα-helixtrans-68.8-31.9-174.500000113.1N16 L20 E21N16-A18 VanDerWaalsContact C-N 3.3Å; N16-A18 PolarHBondContact O-N 3.03Å; N16-A18 WeakPolarHBondContact OD1-CB 3.39Å; N16-A18 PolarHBondContact OD1-N 3.35Å; N16-A18 VanDerWaalsContact OD1-N 3.12Å; A18-L20 PolarHBondContact O-N 2.7Å; A18-E21 PolarHBondContact O-N 2.68Å
19S96.8Very high96.8Very high49 Ų4966.6 Ų66.634%0.34335%0.345SS..Hα-helixtrans-70.6-15.4177.4680000114N16 I17 E21 G22 R23N16-S19 PolarHBondContact O-OG 3.26Å; N16-S19 PolarHBondContact OD1-N 3.11Å; I17-S19 PolarHBondContact O-N 3.22Å; S19-E21 VanDerWaalsContact C-N 3.33Å; S19-E21 PolarHBondContact O-N 2.81Å; S19-G22 PolarHBondContact O-N 3.25Å; S19-R23 PolarHBondContact O-N 3.01Å
20L98.3Very high96.6Very high0 Ų069.7 Ų69.70%036%0.358CS..Hα-helixtrans-67.5-33177.7-53.7-176.8000112.1I14 I17 A18 G22 R23 V24 Y323 L327 V336I14-L20 HydrophobicContact CD1-CD1 4.17Å; I14-L20 HydrophobicContact CG1-CD1 4.49Å; I14-L20 HydrophobicContact CG1-CD2 4.25Å; I14-L20 HydrophobicContact CG2-CD1 4.34Å; I14-L20 HydrophobicContact CG2-CD2 4.3Å; I14-L20 HydrophobicContact CG2-CG 4.48Å; I17-L20 HydrophobicContact CD1-CD1 4.22Å; I17-L20 WeakPolarHBondContact O-CB 3.09Å; I17-L20 WeakPolarHBondContact O-CG 3.21Å; I17-L20 PolarHBondContact O-N 3.02Å; A18-L20 PolarHBondContact O-N 2.7Å; L20-G22 VanDerWaalsContact C-N 3.32Å; L20-G22 PolarHBondContact O-N 3.34Å; L20-R23 PolarHBondContact O-N 3.45Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.84Å; L20-Y323 HydrophobicContact CB-CD2 4.07Å; L20-Y323 HydrophobicContact CB-CG 4.4Å; L20-L327 HydrophobicContact CB-CD1 4.13Å; L20-L327 HydrophobicContact CD2-CD1 3.86Å; L20-L327 HydrophobicContact CG-CD1 4.48Å; L20-V336 HydrophobicContact CD1-CG2 3.97Å
21E97.4Very high96.4Very high50 Ų5066.3 Ų66.323%0.23434%0.343CS..Hα-helixtrans-59.7-43.1177.5-174.8162.1137.200111.6A18 S19 V24 K25 F33 R37 Y323A18-E21 PolarHBondContact O-N 2.68Å; S19-E21 VanDerWaalsContact C-N 3.33Å; S19-E21 PolarHBondContact O-N 2.81Å; E21-V24 PolarHBondContact O-N 2.81Å; E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 PolarHBondContact O-N 2.73Å; E21-F33 HydrophobicContact CG-CE2 4.39Å; E21-F33 HydrophobicContact CG-CZ 4.05Å; E21-R37 VanDerWaalsContact CD-CG 3.49Å; E21-R37 HydrophobicContact CG-CG 4.04Å; E21-R37 VanDerWaalsContact OE1-CG 3.24Å; E21-R37 WeakPolarHBondContact OE1-CG 3.28Å; E21-R37 IonicContact OE1-NE 3.14Å; E21-R37 PolarHBondContact OE1-NE 2.72Å; E21-Y323 HydrophobicContact CB-CD2 4.35Å; E21-Y323 HydrophobicContact CB-CE2 3.62Å; E21-Y323 VanDerWaalsContact CD-OH 3.28Å; E21-Y323 HydrophobicContact CG-CE2 4.12Å; E21-Y323 WeakPolarHBondContact CG-OH 3.38Å; E21-Y323 PolarHBondContact OE2-OH 3.06Å
22G96.7Very high96.3Very high38 Ų3862.5 Ų62.539%0.39232%0.318SS..Hα-helixtrans-64-46.817500000112.3S19 L20 V24 K25 E26S19-G22 PolarHBondContact O-N 3.25Å; L20-G22 VanDerWaalsContact C-N 3.32Å; L20-G22 PolarHBondContact O-N 3.34Å; G22-V24 VanDerWaalsContact C-N 3.3Å; G22-V24 PolarHBondContact O-N 2.97Å; G22-K25 WeakPolarHBondContact O-CB 3.35Å; G22-K25 PolarHBondContact O-N 2.65Å; G22-E26 PolarHBondContact O-N 3.49Å
23R97.3Very high96.3Very high88 Ų8862.1 Ų62.133%0.33232%0.316SS..Hα-helixtrans-60.1-36.5178.1-71.9172.160.7-176.40.7113.1E13 S19 L20 R27 L327E13-R23 PolarHBondContact O-NH1 2.99Å; S19-R23 PolarHBondContact O-N 3.01Å; L20-R23 PolarHBondContact O-N 3.45Å; R23-R27 VanDerWaalsContact O-CD 3.26Å; R23-R27 WeakPolarHBondContact O-CD 3.3Å; R23-R27 VanDerWaalsContact O-CG 3.25Å; R23-R27 WeakPolarHBondContact O-CG 3.41Å; R23-L327 HydrophobicContact CB-CD1 4.1Å; R23-L327 HydrophobicContact CB-CD2 3.91Å
24V97.2Very high96.2Very high2 Ų254.4 Ų54.41%0.01228%0.28CS..Hα-helixtrans-74.1-39177.1174.10000111.1L20 E21 G22 E26 R27 M28 F33 Y323 N326 L327L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.84Å; E21-V24 PolarHBondContact O-N 2.81Å; G22-V24 VanDerWaalsContact C-N 3.3Å; G22-V24 PolarHBondContact O-N 2.97Å; V24-E26 PolarHBondContact O-N 3.26Å; V24-R27 VanDerWaalsContact O-CG 3.29Å; V24-R27 WeakPolarHBondContact O-CG 3.22Å; V24-R27 PolarHBondContact O-N 3.17Å; V24-R27 VanDerWaalsContact O-N 3.13Å; V24-M28 HydrophobicContact CG1-CB 4.19Å; V24-M28 HydrophobicContact CG1-SD 3.83Å; V24-M28 VanDerWaalsContact O-CB 3.31Å; V24-M28 WeakPolarHBondContact O-CB 3.37Å; V24-M28 PolarHBondContact O-N 3.42Å; V24-F33 HydrophobicContact CG1-CD2 4.06Å; V24-F33 HydrophobicContact CG1-CE2 4.3Å; V24-Y323 HydrophobicContact CB-CD1 4.35Å; V24-Y323 HydrophobicContact CG1-CD1 4.33Å; V24-Y323 HydrophobicContact CG2-CD1 4.01Å; V24-Y323 HydrophobicContact CG2-CG 4.11Å; V24-N326 HydrophobicContact CG1-CB 4.34Å; V24-N326 HydrophobicContact CG2-CB 4.2Å; V24-L327 HydrophobicContact CG2-CD1 3.98Å; V24-L327 HydrophobicContact CG2-CD2 4.26Å; V24-L327 HydrophobicContact CG2-CG 3.82Å
25K96.7Very high96.1Very high129 Ų12954.5 Ų54.556%0.56128%0.279SS*.Hα-helixtrans-58.2-31.4-179-170.4170.4-175.8168.10114.1E21 G22 R27 F33E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 PolarHBondContact O-N 2.73Å; G22-K25 WeakPolarHBondContact O-CB 3.35Å; G22-K25 PolarHBondContact O-N 2.65Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 3.28Å; K25-F33 HydrophobicContact CB-CD2 4.15Å; K25-F33 HydrophobicContact CB-CE1 4.13Å; K25-F33 HydrophobicContact CB-CE2 3.59Å; K25-F33 HydrophobicContact CB-CZ 3.58Å; K25-F33 HydrophobicContact CD-CE1 3.76Å; K25-F33 HydrophobicContact CD-CZ 3.79Å; K25-F33 HydrophobicContact CG-CD1 4.14Å; K25-F33 HydrophobicContact CG-CD2 4.49Å; K25-F33 HydrophobicContact CG-CE1 3.71Å; K25-F33 HydrophobicContact CG-CE2 4.1Å; K25-F33 HydrophobicContact CG-CZ 3.69Å
26E93.4Very high96Very high177 Ų17749.6 Ų49.683%0.82725%0.249SC*.THydrogen-bonded Turntrans-77.3-13.6-178.4-67.7177166.300113.9G22 V24G22-E26 PolarHBondContact O-N 3.49Å; V24-E26 PolarHBondContact O-N 3.26Å
27R93.7Very high96Very high96 Ų9649 Ų4936%0.36224%0.243SC..THydrogen-bonded Turntrans-133.18-167.657.8-177.6-96.8124.39.1114.4S6 E8 R23 V24 K25 N326S6-R27 PolarHBondContact OG-NH2 3.33Å; E8-R27 VanDerWaalsContact CG-NH2 3.34Å; E8-R27 IonicContact OE1-NH1 3.77Å; E8-R27 PolarHBondContact OE1-NH1 2.89Å; R23-R27 VanDerWaalsContact O-CD 3.26Å; R23-R27 WeakPolarHBondContact O-CD 3.3Å; R23-R27 VanDerWaalsContact O-CG 3.25Å; R23-R27 WeakPolarHBondContact O-CG 3.41Å; V24-R27 VanDerWaalsContact O-CG 3.29Å; V24-R27 WeakPolarHBondContact O-CG 3.22Å; V24-R27 PolarHBondContact O-N 3.17Å; V24-R27 VanDerWaalsContact O-N 3.13Å; K25-R27 VanDerWaalsContact C-N 3.3Å; K25-R27 PolarHBondContact O-N 3.28Å; R27-N326 PolarHBondContact NE-OD1 3.27Å; R27-N326 PolarHBondContact NH2-O 3.44Å
28M94.6Very high95.8Very high23 Ų2349 Ų4911%0.11324%0.243CC..SBendtrans-121.8143.4-177.3-171.8166.2-169.700111V24 A32 F33 I36 L94V24-M28 HydrophobicContact CG1-CB 4.19Å; V24-M28 HydrophobicContact CG1-SD 3.83Å; V24-M28 VanDerWaalsContact O-CB 3.31Å; V24-M28 WeakPolarHBondContact O-CB 3.37Å; V24-M28 PolarHBondContact O-N 3.42Å; M28-A32 HydrophobicContact CE-CB 3.66Å; M28-A32 HydrophobicContact CG-CB 4.5Å; M28-F33 HydrophobicContact CB-CB 4.17Å; M28-F33 HydrophobicContact CG-CB 4.01Å; M28-F33 HydrophobicContact SD-CB 4.21Å; M28-F33 HydrophobicContact SD-CD2 4.47Å; M28-I36 HydrophobicContact CE-CD1 3.32Å; M28-I36 HydrophobicContact CE-CG1 4.39Å; M28-I36 HydrophobicContact SD-CD1 4.27Å; M28-L94 HydrophobicContact CE-CB 3.93Å; M28-L94 WeakPolarHBondContact CE-O 3.34Å
29E94.1Very high95.9Very high94 Ų9446 Ų4644%0.43922%0.218SC..  trans-61.7136.2178.6-168.5-94.597.100110.6Y3 G31 A32 F33Y3-E29 HydrophobicContact CE2-CB 3.99Å; Y3-E29 HydrophobicContact CE2-CG 4.45Å; E29-G31 PolarHBondContact O-N 3.26Å; E29-G31 PolarHBondContact OE1-N 2.92Å; E29-A32 HydrophobicContact CB-CB 4.45Å; E29-A32 PolarHBondContact O-N 2.99Å; E29-A32 VanDerWaalsContact O-N 3.13Å; E29-F33 PolarHBondContact O-N 2.86Å
30K94.6Very high95.9Very high131 Ų13143.7 Ų43.757%0.5720%0.202SC*.Hα-helixtrans-60.3-39.6-162-169.7-178179.2-101.30113.7G34 N182K30-G34 PolarHBondContact O-N 3.44Å; K30-N182 WeakPolarHBondContact CD-OD1 3.24Å; K30-N182 WeakPolarHBondContact CE-OD1 3.21Å; K30-N182 WeakPolarHBondContact CG-OD1 3.5Å; K30-N182 PolarHBondContact NZ-OD1 3.39Å; K30-N182 PolarHBondContact O-ND2 2.79Å
31G94.1Very high95.8Very high3 Ų348.1 Ų48.13%0.03122%0.222CC..Hα-helixtrans-68.9-45.8176.300000112E29 G34 Y35E29-G31 PolarHBondContact O-N 3.26Å; E29-G31 PolarHBondContact OE1-N 2.92Å; G31-G34 PolarHBondContact O-N 3.36Å; G31-Y35 WeakPolarHBondContact O-CB 3.35Å; G31-Y35 PolarHBondContact O-N 3.37Å
32A95.5Very high95.8Very high0 Ų052 Ų520%025%0.245CC..Hα-helixtrans-63.8-41.4177.200000112.8Y3 M28 E29 I36 L94 F184Y3-A32 HydrophobicContact CE2-CB 3.97Å; Y3-A32 WeakPolarHBondContact OH-CB 3.35Å; M28-A32 HydrophobicContact CE-CB 3.66Å; M28-A32 HydrophobicContact CG-CB 4.5Å; E29-A32 HydrophobicContact CB-CB 4.45Å; E29-A32 PolarHBondContact O-N 2.99Å; E29-A32 VanDerWaalsContact O-N 3.13Å; A32-I36 WeakPolarHBondContact O-CG1 3.31Å; A32-I36 PolarHBondContact O-N 3.31Å; A32-I36 VanDerWaalsContact O-N 3.16Å; A32-L94 HydrophobicContact CB-CB 4.33Å; A32-L94 HydrophobicContact CB-CD2 3.99Å; A32-F184 HydrophobicContact CB-CE2 4.25Å
33F97.1Very high95.8Very high6 Ų651.5 Ų51.53%0.02623%0.232CC..Hα-helixtrans-59.6-51171.8176.1-97000110.7E21 V24 K25 M28 E29 Y35 I36 R37E21-F33 HydrophobicContact CG-CE2 4.39Å; E21-F33 HydrophobicContact CG-CZ 4.05Å; V24-F33 HydrophobicContact CG1-CD2 4.06Å; V24-F33 HydrophobicContact CG1-CE2 4.3Å; K25-F33 HydrophobicContact CB-CD2 4.15Å; K25-F33 HydrophobicContact CB-CE1 4.13Å; K25-F33 HydrophobicContact CB-CE2 3.59Å; K25-F33 HydrophobicContact CB-CZ 3.58Å; K25-F33 HydrophobicContact CD-CE1 3.76Å; K25-F33 HydrophobicContact CD-CZ 3.79Å; K25-F33 HydrophobicContact CG-CD1 4.14Å; K25-F33 HydrophobicContact CG-CD2 4.49Å; K25-F33 HydrophobicContact CG-CE1 3.71Å; K25-F33 HydrophobicContact CG-CE2 4.1Å; K25-F33 HydrophobicContact CG-CZ 3.69Å; M28-F33 HydrophobicContact CB-CB 4.17Å; M28-F33 HydrophobicContact CG-CB 4.01Å; M28-F33 HydrophobicContact SD-CB 4.21Å; M28-F33 HydrophobicContact SD-CD2 4.47Å; E29-F33 PolarHBondContact O-N 2.86Å; F33-Y35 VanDerWaalsContact C-N 3.33Å; F33-Y35 PolarHBondContact O-N 3.04Å; F33-I36 PolarHBondContact O-N 2.72Å; F33-I36 VanDerWaalsContact O-N 3.15Å; F33-R37 HydrophobicContact CD1-CB 4.33Å; F33-R37 HydrophobicContact CE1-CB 3.9Å; F33-R37 HydrophobicContact CE1-CG 3.85Å; F33-R37 HydrophobicContact CE2-CB 4.11Å; F33-R37 HydrophobicContact CE2-CG 4.31Å; F33-R37 HydrophobicContact CZ-CB 3.78Å; F33-R37 HydrophobicContact CZ-CG 3.6Å; F33-R37 WeakPolarHBondContact O-CB 3.3Å; F33-R37 PolarHBondContact O-N 2.7Å
34G96.4Very high95.9Very high0 Ų053.3 Ų53.30%024%0.239CC..Hα-helixtrans-57.2-44.8179.400000112.8K30 G31 I36 R37 G38 E178K30-G34 PolarHBondContact O-N 3.44Å; G31-G34 PolarHBondContact O-N 3.36Å; G34-I36 VanDerWaalsContact C-N 3.35Å; G34-I36 PolarHBondContact O-N 3.2Å; G34-R37 PolarHBondContact O-N 3.14Å; G34-G38 WeakPolarHBondContact O-CA 3.15Å; G34-G38 PolarHBondContact O-N 3.32Å; G34-E178 VanDerWaalsContact CA-CD 3.48Å
35Y95.4Very high95.9Very high24 Ų2453.3 Ų53.39%0.09424%0.239CC..Hα-helixtrans-59.7-41.5176172.2-99.1000113G31 F33 A91 L94 D179 F184 F186 I210 R267G31-Y35 WeakPolarHBondContact O-CB 3.35Å; G31-Y35 PolarHBondContact O-N 3.37Å; F33-Y35 VanDerWaalsContact C-N 3.33Å; F33-Y35 PolarHBondContact O-N 3.04Å; Y35-A91 HydrophobicContact CE1-CB 4.36Å; Y35-L94 HydrophobicContact CD1-CD1 3.5Å; Y35-L94 HydrophobicContact CE1-CD1 3.97Å; Y35-L94 HydrophobicContact CG-CD1 4.45Å; Y35-D179 VanDerWaalsContact CA-OD1 3.23Å; Y35-D179 WeakPolarHBondContact CA-OD1 3.43Å; Y35-D179 WeakPolarHBondContact CB-OD1 3.08Å; Y35-F184 VanDerWaalsContact CB-CE1 3.48Å; Y35-F184 HydrophobicContact CD1-CE1 4.07Å; Y35-F184 HydrophobicContact CD1-CZ 4.46Å; Y35-F184 AromaticContact CD2-CD1 3.99Å; Y35-F184 HydrophobicContact CD2-CD1 3.99Å; Y35-F184 AromaticContact CD2-CE1 3.74Å; Y35-F184 HydrophobicContact CD2-CE1 3.74Å; Y35-F184 AromaticContact CG-CD1 3.93Å; Y35-F184 HydrophobicContact CG-CD1 3.93Å; Y35-F184 AromaticContact CG-CE1 3.46Å; Y35-F184 HydrophobicContact CG-CE1 3.46Å; Y35-F184 VanDerWaalsContact CG-CE1 3.46Å; Y35-F184 HydrophobicContact CG-CZ 4.16Å; Y35-F186 HydrophobicContact CD1-CE1 4.19Å; Y35-F186 HydrophobicContact CD2-CE1 4.48Å; Y35-F186 HydrophobicContact CD2-CZ 4.31Å; Y35-F186 AromaticContact CE1-CE1 3.73Å; Y35-F186 HydrophobicContact CE1-CE1 3.73Å; Y35-F186 HydrophobicContact CE1-CZ 4.11Å; Y35-F186 HydrophobicContact CE2-CE1 4.04Å; Y35-F186 AromaticContact CE2-CZ 3.63Å; Y35-F186 HydrophobicContact CE2-CZ 3.63Å; Y35-F186 AromaticContact CZ-CE1 3.64Å; Y35-F186 AromaticContact CZ-CZ 3.51Å; Y35-I210 HydrophobicContact CD2-CD1 4.16Å; Y35-I210 HydrophobicContact CE2-CD1 4.35Å; Y35-R267 PolarHBondContact O-NH1 3.31Å; Y35-R267 PolarHBondContact O-NH2 2.74Å
36I96.3Very high96Very high10 Ų1048.1 Ų48.15%0.05122%0.217CC..Hα-helixtrans-75.7-42.4-179.4-70176.6000111.4M28 A32 F33 G34 L94 A95 R319 I322 Y323M28-I36 HydrophobicContact CE-CD1 3.32Å; M28-I36 HydrophobicContact CE-CG1 4.39Å; M28-I36 HydrophobicContact SD-CD1 4.27Å; A32-I36 WeakPolarHBondContact O-CG1 3.31Å; A32-I36 PolarHBondContact O-N 3.31Å; A32-I36 VanDerWaalsContact O-N 3.16Å; F33-I36 PolarHBondContact O-N 2.72Å; F33-I36 VanDerWaalsContact O-N 3.15Å; G34-I36 VanDerWaalsContact C-N 3.35Å; G34-I36 PolarHBondContact O-N 3.2Å; I36-L94 HydrophobicContact CD1-CB 3.89Å; I36-L94 HydrophobicContact CD1-CD1 4.39Å; I36-L94 HydrophobicContact CG1-CD1 4.42Å; I36-A95 HydrophobicContact CD1-CB 4.27Å; I36-R319 PolarHBondContact O-NE 3.13Å; I36-I322 HydrophobicContact CD1-CG2 3.73Å; I36-I322 HydrophobicContact CG1-CG2 4.46Å; I36-I322 HydrophobicContact CG2-CB 4.21Å; I36-I322 HydrophobicContact CG2-CD1 4Å; I36-I322 HydrophobicContact CG2-CG2 3.72Å; I36-Y323 HydrophobicContact CG2-CE1 4.23Å
37R96.4Very high96.2Very high43 Ų4345.2 Ų45.216%0.16220%0.202CC..Hα-helixtrans-83.1-48-171.2176.4-100.2163.5-141-17.2112.5E21 F33 G34 E43 E178 R319E21-R37 VanDerWaalsContact CD-CG 3.49Å; E21-R37 HydrophobicContact CG-CG 4.04Å; E21-R37 VanDerWaalsContact OE1-CG 3.24Å; E21-R37 WeakPolarHBondContact OE1-CG 3.28Å; E21-R37 IonicContact OE1-NE 3.14Å; E21-R37 PolarHBondContact OE1-NE 2.72Å; F33-R37 HydrophobicContact CD1-CB 4.33Å; F33-R37 HydrophobicContact CE1-CB 3.9Å; F33-R37 HydrophobicContact CE1-CG 3.85Å; F33-R37 HydrophobicContact CE2-CB 4.11Å; F33-R37 HydrophobicContact CE2-CG 4.31Å; F33-R37 HydrophobicContact CZ-CB 3.78Å; F33-R37 HydrophobicContact CZ-CG 3.6Å; F33-R37 WeakPolarHBondContact O-CB 3.3Å; F33-R37 PolarHBondContact O-N 2.7Å; G34-R37 PolarHBondContact O-N 3.14Å; R37-E43 IonicContact CZ-OE1 2.7Å; R37-E43 IonicContact CZ-OE2 2.69Å; R37-E43 IonicContact NH1-OE1 2.87Å; R37-E43 PolarHBondContact NH1-OE1 3.27Å; R37-E43 IonicContact NH1-OE2 3.94Å; R37-E43 PolarHBondContact NH1-OE2 2.96Å; R37-E43 IonicContact NH2-OE1 3.17Å; R37-E43 PolarHBondContact NH2-OE1 3.15Å; R37-E43 IonicContact NH2-OE2 2.96Å; R37-E43 PolarHBondContact NH2-OE2 3.21Å; R37-E178 WeakPolarHBondContact CD-OE2 3.28Å; R37-E178 IonicContact CZ-OE2 2.75Å; R37-E178 IonicContact NH1-OE2 3.75Å; R37-E178 PolarHBondContact NH1-OE2 2.66Å; R37-R319 PolarHBondContact O-NE 3.12Å; R37-R319 PolarHBondContact O-NH2 3.17Å; R37-R319 VanDerWaalsContact O-NH2 3.16Å
38G95Very high96.4Very high1 Ų142.8 Ų42.81%0.0120%0.195CC..  trans-64.6160.2-165.700000116.3G34 E43 R267 R319G34-G38 WeakPolarHBondContact O-CA 3.15Å; G34-G38 PolarHBondContact O-N 3.32Å; G38-E43 WeakPolarHBondContact CA-OE1 3.44Å; G38-R267 PolarHBondContact O-NH1 2.68Å; G38-R319 PolarHBondContact O-NH2 2.94Å
39G96.1Very high96.6Very high2 Ų241.8 Ų41.82%0.02119%0.19CC..  trans-101.4-165.2171.500000114E43 R176 G266G39-E43 PolarHBondContact N-OE1 3.12Å; G39-R176 WeakPolarHBondContact O-CB 3.44Å; G39-R176 WeakPolarHBondContact O-CG 3.46Å; G39-G266 CarbonylContact C-O 3.6Å; G39-G266 WeakPolarHBondContact CA-O 3.3Å
40S96.9Very high96.8Very high0 Ų039.4 Ų39.40%018%0.182CC..SBendtrans-91.9145.616439.20000111D42 E43 G266 Q268 D270S40-D42 PolarHBondContact O-N 3.11Å; S40-E43 WeakPolarHBondContact O-CA 3.36Å; S40-E43 PolarHBondContact O-N 3.44Å; S40-G266 PolarHBondContact N-O 2.7Å; S40-G266 VanDerWaalsContact N-O 3.13Å; S40-Q268 PolarHBondContact OG-N 2.66Å; S40-D270 VanDerWaalsContact O-CG 3.27Å; S40-D270 PolarHBondContact OG-N 2.84Å
41E97Very high97Very high93 Ų9334.8 Ų34.844%0.43517%0.166SC..THydrogen-bonded Turntrans50.4-128.5171.4-62165-124.100113.1E43 Y175 D270E41-E43 PolarHBondContact O-N 3.25Å; E41-Y175 HydrophobicContact CG-CD1 4.06Å; E41-Y175 PolarHBondContact N-O 2.91Å; E41-D270 HydrophobicContact CB-CB 3.86Å; E41-D270 HydrophobicContact CG-CB 4.46Å
42D97.1Very high97.1Very high133 Ų13334.7 Ų34.771%0.71117%0.165SC*.THydrogen-bonded Turntrans-68.60.7178.5-88.9-38.4000113.2S40 W44 K47S40-D42 PolarHBondContact O-N 3.11Å; D42-W44 PolarHBondContact O-N 2.86Å; D42-K47 PolarHBondContact O-NZ 3.38Å
43E97.6Very high97.3Very high26 Ų2634.7 Ų34.712%0.12117%0.165CC..  trans5524.7-171.1-45.7-171.4128.500113.8R37 G38 G39 S40 E41 M46 K47 D270R37-E43 IonicContact CZ-OE1 2.7Å; R37-E43 IonicContact CZ-OE2 2.69Å; R37-E43 IonicContact NH1-OE1 2.87Å; R37-E43 PolarHBondContact NH1-OE1 3.27Å; R37-E43 IonicContact NH1-OE2 3.94Å; R37-E43 PolarHBondContact NH1-OE2 2.96Å; R37-E43 IonicContact NH2-OE1 3.17Å; R37-E43 PolarHBondContact NH2-OE1 3.15Å; R37-E43 IonicContact NH2-OE2 2.96Å; R37-E43 PolarHBondContact NH2-OE2 3.21Å; G38-E43 WeakPolarHBondContact CA-OE1 3.44Å; G39-E43 PolarHBondContact N-OE1 3.12Å; S40-E43 WeakPolarHBondContact O-CA 3.36Å; S40-E43 PolarHBondContact O-N 3.44Å; E41-E43 PolarHBondContact O-N 3.25Å; E43-M46 HydrophobicContact CB-CB 4.2Å; E43-M46 HydrophobicContact CB-CE 4.08Å; E43-M46 VanDerWaalsContact CD-CE 3.49Å; E43-M46 HydrophobicContact CG-CE 4.29Å; E43-M46 WeakPolarHBondContact O-CB 3.35Å; E43-M46 PolarHBondContact O-N 3.3Å; E43-M46 WeakPolarHBondContact OE1-CE 3.4Å; E43-M46 WeakPolarHBondContact OE2-CE 3.34Å; E43-K47 VanDerWaalsContact O-CD 3.3Å; E43-K47 WeakPolarHBondContact O-CD 3.35Å; E43-K47 VanDerWaalsContact O-CG 3.29Å; E43-K47 WeakPolarHBondContact O-CG 3.36Å; E43-K47 PolarHBondContact O-N 2.88Å; E43-D270 PolarHBondContact N-OD2 3.32Å
44W98.2Very high97.2Very high127 Ų12739.9 Ų39.948%0.48119%0.193SC..Hα-helixtrans-63.4-47.9-174.3-177.988.1000111.8D42 M46 K47 E48 D270D42-W44 PolarHBondContact O-N 2.86Å; W44-M46 VanDerWaalsContact C-N 3.28Å; W44-M46 PolarHBondContact O-N 3.16Å; W44-K47 WeakPolarHBondContact O-CB 3.37Å; W44-K47 PolarHBondContact O-N 2.83Å; W44-K47 VanDerWaalsContact O-N 3.12Å; W44-E48 HydrophobicContact CD2-CG 4.12Å; W44-E48 HydrophobicContact CE3-CG 4.31Å; W44-E48 HydrophobicContact CH2-CG 3.89Å; W44-E48 HydrophobicContact CZ2-CG 3.65Å; W44-E48 HydrophobicContact CZ3-CG 4.21Å; W44-E48 PolarHBondContact O-N 3.01Å; W44-D270 VanDerWaalsContact CB-OD2 3.28Å; W44-D270 WeakPolarHBondContact CB-OD2 3.45Å; W44-D270 VanDerWaalsContact N-CG 3.32Å; W44-D270 PolarHBondContact N-OD1 3.2Å; W44-D270 PolarHBondContact N-OD2 2.68Å
45T98.3Very high97Very high1 Ų145.3 Ų45.31%0.00622%0.216CC..Hα-helixtrans-66.2-32176.1-62.30000110.9K47 N49 N263 D270 G271 G272T45-K47 VanDerWaalsContact C-N 3.33Å; T45-K47 PolarHBondContact O-N 2.99Å; T45-N49 VanDerWaalsContact O-CB 3.3Å; T45-N49 WeakPolarHBondContact O-CB 3.43Å; T45-N49 PolarHBondContact O-N 3.2Å; T45-N49 PolarHBondContact O-ND2 3.17Å; T45-N263 WeakPolarHBondContact CG2-ND2 3.15Å; T45-D270 VanDerWaalsContact CB-OD1 3.32Å; T45-D270 WeakPolarHBondContact CB-OD1 3.42Å; T45-D270 PolarHBondContact N-OD1 2.67Å; T45-G271 PolarHBondContact OG1-N 2.75Å; T45-G272 WeakPolarHBondContact CG2-O 3.36Å; T45-G272 PolarHBondContact OG1-N 2.79Å; T45-G272 PolarHBondContact OG1-O 3.28Å
46M97.9Very high96.7Very high21 Ų2149.5 Ų49.510%0.10324%0.235CC..Hα-helixtrans-65-36.8172.8-170.6176.179.600112.3E43 W44 R319E43-M46 HydrophobicContact CB-CB 4.2Å; E43-M46 HydrophobicContact CB-CE 4.08Å; E43-M46 VanDerWaalsContact CD-CE 3.49Å; E43-M46 HydrophobicContact CG-CE 4.29Å; E43-M46 WeakPolarHBondContact O-CB 3.35Å; E43-M46 PolarHBondContact O-N 3.3Å; E43-M46 WeakPolarHBondContact OE1-CE 3.4Å; E43-M46 WeakPolarHBondContact OE2-CE 3.34Å; W44-M46 VanDerWaalsContact C-N 3.28Å; W44-M46 PolarHBondContact O-N 3.16Å; M46-R319 PolarHBondContact SD-NH2 2.89Å
47K98.1Very high96.4Very high115 Ų11555.2 Ų55.250%0.527%0.271SS..Hα-helixtrans-72.3-49.3175.3-66.5152.9-170.91630110.8D42 E43 W44 T45 N49 T50 S51D42-K47 PolarHBondContact O-NZ 3.38Å; E43-K47 VanDerWaalsContact O-CD 3.3Å; E43-K47 WeakPolarHBondContact O-CD 3.35Å; E43-K47 VanDerWaalsContact O-CG 3.29Å; E43-K47 WeakPolarHBondContact O-CG 3.36Å; E43-K47 PolarHBondContact O-N 2.88Å; W44-K47 WeakPolarHBondContact O-CB 3.37Å; W44-K47 PolarHBondContact O-N 2.83Å; W44-K47 VanDerWaalsContact O-N 3.12Å; T45-K47 VanDerWaalsContact C-N 3.33Å; T45-K47 PolarHBondContact O-N 2.99Å; K47-N49 VanDerWaalsContact C-N 3.3Å; K47-N49 PolarHBondContact O-N 2.85Å; K47-T50 PolarHBondContact O-N 3.24Å; K47-S51 PolarHBondContact O-N 3Å
48E98.4Very high96.1Very high45 Ų4555.6 Ų55.621%0.2128%0.276CS..Hα-helixtrans-62.1-34.4179.6-83-60.3102.700113.2W44 T50 S51 S52 K55 A274W44-E48 HydrophobicContact CD2-CG 4.12Å; W44-E48 HydrophobicContact CE3-CG 4.31Å; W44-E48 HydrophobicContact CH2-CG 3.89Å; W44-E48 HydrophobicContact CZ2-CG 3.65Å; W44-E48 HydrophobicContact CZ3-CG 4.21Å; W44-E48 PolarHBondContact O-N 3.01Å; E48-T50 PolarHBondContact O-N 2.86Å; E48-T50 VanDerWaalsContact O-N 3.12Å; E48-S51 WeakPolarHBondContact CA-OG 3.49Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 PolarHBondContact O-OG 3.49Å; E48-S51 WeakPolarHBondContact OE1-CB 3.2Å; E48-S51 PolarHBondContact OE1-OG 3.29Å; E48-S51 PolarHBondContact OE2-OG 2.96Å; E48-S52 VanDerWaalsContact O-CB 3.28Å; E48-S52 WeakPolarHBondContact O-CB 3.43Å; E48-S52 PolarHBondContact O-N 2.88Å; E48-S52 PolarHBondContact O-OG 3.43Å; E48-S52 VanDerWaalsContact O-OG 3.13Å; E48-K55 IonicContact OE2-NZ 3.47Å; E48-K55 PolarHBondContact OE2-NZ 2.63Å; E48-A274 HydrophobicContact CB-CB 4.26Å; E48-A274 WeakPolarHBondContact O-CB 3.48Å
49N98.5Very high95.9Very high2 Ų262.8 Ų62.81%0.01131%0.311CS..Hα-helixtrans-50.7-35.5169.9-87-39.3000113.1T45 K47 S52 F53 N263 G266 A274 S275 G297T45-N49 VanDerWaalsContact O-CB 3.3Å; T45-N49 WeakPolarHBondContact O-CB 3.43Å; T45-N49 PolarHBondContact O-N 3.2Å; T45-N49 PolarHBondContact O-ND2 3.17Å; K47-N49 VanDerWaalsContact C-N 3.3Å; K47-N49 PolarHBondContact O-N 2.85Å; N49-S52 PolarHBondContact O-OG 3.15Å; N49-F53 WeakPolarHBondContact O-CD2 3.26Å; N49-F53 WeakPolarHBondContact O-CE2 3.03Å; N49-N263 PolarHBondContact ND2-ND2 3.17Å; N49-N263 PolarHBondContact ND2-OD1 3.4Å; N49-N263 PolarHBondContact OD1-ND2 2.82Å; N49-N263 PolarHBondContact OD1-OD1 2.99Å; N49-G266 PolarHBondContact ND2-N 2.86Å; N49-A274 WeakPolarHBondContact OD1-CA 3.38Å; N49-S275 PolarHBondContact OD1-N 2.69Å; N49-G297 WeakPolarHBondContact O-CA 3.46Å
50T98Very high95.6Very high44 Ų4466.1 Ų66.127%0.2733%0.332SS..Hα-helixtrans-93.6-31.5178.7-47.20000111.7K47 E48 R299K47-T50 PolarHBondContact O-N 3.24Å; E48-T50 PolarHBondContact O-N 2.86Å; E48-T50 VanDerWaalsContact O-N 3.12Å; T50-R299 HydrophobicContact CG2-CB 4.49Å; T50-R299 HydrophobicContact CG2-CG 4.04Å
51S98Very high95Very high35 Ų3572.7 Ų72.725%0.24536%0.357CS..Hα-helixtrans-70-33.9179.689.90000112.3K47 E48 F53 N54K47-S51 PolarHBondContact O-N 3Å; E48-S51 WeakPolarHBondContact CA-OG 3.49Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 PolarHBondContact O-OG 3.49Å; E48-S51 WeakPolarHBondContact OE1-CB 3.2Å; E48-S51 PolarHBondContact OE1-OG 3.29Å; E48-S51 PolarHBondContact OE2-OG 2.96Å; S51-F53 VanDerWaalsContact C-N 3.29Å; S51-F53 PolarHBondContact O-N 3.44Å; S51-N54 VanDerWaalsContact O-CB 3.29Å; S51-N54 WeakPolarHBondContact O-CB 3.09Å; S51-N54 PolarHBondContact O-N 3.39Å; S51-N54 PolarHBondContact O-ND2 3.4Å
52S97.8Very high94.4Very high0 Ų073.5 Ų73.50%037%0.368CS..G310 helixtrans-58.5-34.8-174.157.30000113.8E48 N49 N54 K55 D277E48-S52 VanDerWaalsContact O-CB 3.28Å; E48-S52 WeakPolarHBondContact O-CB 3.43Å; E48-S52 PolarHBondContact O-N 2.88Å; E48-S52 PolarHBondContact O-OG 3.43Å; E48-S52 VanDerWaalsContact O-OG 3.13Å; N49-S52 PolarHBondContact O-OG 3.15Å; S52-N54 PolarHBondContact O-N 3.41Å; S52-N54 VanDerWaalsContact O-N 3.11Å; S52-K55 WeakPolarHBondContact O-CB 3.39Å; S52-K55 WeakPolarHBondContact O-CG 3.28Å; S52-K55 PolarHBondContact O-N 3.41Å; S52-D277 WeakPolarHBondContact CB-OD1 3.21Å
53F97.7Very high94Very high0 Ų075.2 Ų75.20%038%0.376CS..G310 helixtrans-58.3-25.4174.3-66.6-79.1000113.4N49 S51 K55 K56 F276 F294 V298 H303 K306N49-F53 WeakPolarHBondContact O-CD2 3.26Å; N49-F53 WeakPolarHBondContact O-CE2 3.03Å; S51-F53 VanDerWaalsContact C-N 3.29Å; S51-F53 PolarHBondContact O-N 3.44Å; F53-K55 VanDerWaalsContact C-N 3.29Å; F53-K56 PolarHBondContact O-N 2.99Å; F53-K56 VanDerWaalsContact O-O 3.06Å; F53-F276 AromaticContact CD1-CD1 3.93Å; F53-F276 HydrophobicContact CD1-CD1 3.93Å; F53-F276 AromaticContact CD1-CD2 3.93Å; F53-F276 HydrophobicContact CD1-CD2 3.93Å; F53-F276 HydrophobicContact CD1-CE1 4.03Å; F53-F276 HydrophobicContact CD1-CE2 4.05Å; F53-F276 AromaticContact CD1-CG 3.89Å; F53-F276 HydrophobicContact CD1-CG 3.89Å; F53-F276 HydrophobicContact CD1-CZ 4.1Å; F53-F276 HydrophobicContact CE1-CB 4.17Å; F53-F276 HydrophobicContact CE1-CD1 4.21Å; F53-F276 AromaticContact CE1-CD2 3.48Å; F53-F276 HydrophobicContact CE1-CD2 3.48Å; F53-F276 VanDerWaalsContact CE1-CD2 3.48Å; F53-F276 AromaticContact CE1-CE2 3.89Å; F53-F276 HydrophobicContact CE1-CE2 3.89Å; F53-F276 AromaticContact CE1-CG 3.67Å; F53-F276 HydrophobicContact CE1-CG 3.67Å; F53-F276 HydrophobicContact CE1-CZ 4.41Å; F53-F276 HydrophobicContact CE2-CB 4.4Å; F53-F276 HydrophobicContact CG-CD1 4.29Å; F53-F276 HydrophobicContact CG-CG 4.47Å; F53-F276 HydrophobicContact CZ-CB 4.06Å; F53-F276 HydrophobicContact CZ-CD2 4.14Å; F53-F276 HydrophobicContact CZ-CG 4.08Å; F53-F294 HydrophobicContact CE1-CE1 4.21Å; F53-F294 HydrophobicContact CE1-CZ 4.34Å; F53-F294 AromaticContact CZ-CE1 3.73Å; F53-F294 HydrophobicContact CZ-CE1 3.73Å; F53-F294 AromaticContact CZ-CZ 3.7Å; F53-F294 HydrophobicContact CZ-CZ 3.7Å; F53-V298 HydrophobicContact CZ-CG2 4.15Å; F53-H303 HydrophobicContact CD1-CB 3.69Å; F53-H303 AromaticContact CD1-CG 3.87Å; F53-H303 HydrophobicContact CD2-CB 4.19Å; F53-H303 AromaticContact CD2-CE1 3.74Å; F53-H303 AromaticContact CD2-CG 3.69Å; F53-H303 AromaticContact CD2-ND1 3.27Å; F53-H303 VanDerWaalsContact CD2-ND1 3.27Å; F53-H303 WeakPolarHBondContact CD2-ND1 3.37Å; F53-H303 HydrophobicContact CE1-CB 3.66Å; F53-H303 WeakPolarHBondContact CE1-O 3.04Å; F53-H303 HydrophobicContact CE2-CB 4.16Å; F53-H303 AromaticContact CE2-ND1 3.6Å; F53-H303 HydrophobicContact CG-CB 3.95Å; F53-H303 AromaticContact CG-CD2 3.94Å; F53-H303 AromaticContact CG-CG 3.57Å; F53-H303 AromaticContact CG-ND1 3.66Å; F53-H303 HydrophobicContact CZ-CB 3.9Å; F53-K306 HydrophobicContact CB-CD 4.42Å; F53-K306 HydrophobicContact CD1-CB 4.26Å; F53-K306 HydrophobicContact CD1-CD 4.36Å; F53-K306 PolarHBondContact O-NZ 2.96Å
54N95.1Very high93.3Very high116 Ų11678.3 Ų78.362%0.6239%0.387SS*.G310 helixtrans-75.1-18.4175.5-53.6-73.1000112.8S51 S52 K56S51-N54 VanDerWaalsContact O-CB 3.29Å; S51-N54 WeakPolarHBondContact O-CB 3.09Å; S51-N54 PolarHBondContact O-N 3.39Å; S51-N54 PolarHBondContact O-ND2 3.4Å; S52-N54 PolarHBondContact O-N 3.41Å; S52-N54 VanDerWaalsContact O-N 3.11Å; N54-K56 PolarHBondContact O-N 2.91Å
55K92.3Very high92.8Very high113 Ų11375.8 Ų75.849%0.49140%0.401SS..G310 helixtrans-72.4-16.7176.2-52.6171.2-171169.70111.9E48 S52 F53 D277E48-K55 IonicContact OE2-NZ 3.47Å; E48-K55 PolarHBondContact OE2-NZ 2.63Å; S52-K55 WeakPolarHBondContact O-CB 3.39Å; S52-K55 WeakPolarHBondContact O-CG 3.28Å; S52-K55 PolarHBondContact O-N 3.41Å; F53-K55 VanDerWaalsContact C-N 3.29Å; K55-D277 IonicContact NZ-OD1 2.7Å; K55-D277 IonicContact NZ-OD2 3.02Å; K55-D277 PolarHBondContact NZ-OD2 3.31Å
56K89.8Confident92.3Very high113 Ų11377.7 Ų77.749%0.49141%0.41SS..SBendtrans-113.3129.8176.1-73-72.2-171.9172.60111.1F53 N54 F276 K306F53-K56 PolarHBondContact O-N 2.99Å; F53-K56 VanDerWaalsContact O-O 3.06Å; N54-K56 PolarHBondContact O-N 2.91Å; K56-F276 HydrophobicContact CB-CE1 4.05Å; K56-F276 HydrophobicContact CB-CZ 4.18Å; K56-F276 HydrophobicContact CG-CE1 3.71Å; K56-F276 HydrophobicContact CG-CZ 3.9Å; K56-K306 HydrophobicContact CB-CD 4.4Å; K56-K306 WeakPolarHBondContact O-CE 3.45Å; K56-K306 PolarHBondContact O-NZ 3.38Å; K56-K306 VanDerWaalsContact O-NZ 3.12Å
57T90.3Very high91.9Very high130 Ų13082.4 Ų82.480%0.79844%0.436SS*.  trans-93.2161.317249.50000111.4
58I90.2Very high91.7Very high51 Ų5181 Ų8126%0.26243%0.431SS..  trans-105.4140.5168.7-63171.8000106.9P60 E302 F305 K306 T347 A351I58-P60 WeakPolarHBondContact O-CD 3.34Å; I58-E302 HydrophobicContact CD1-CB 4.16Å; I58-F305 HydrophobicContact CD1-CD1 3.56Å; I58-F305 HydrophobicContact CD1-CE1 4.04Å; I58-F305 HydrophobicContact CD1-CG 4.23Å; I58-F305 HydrophobicContact CG1-CD1 3.91Å; I58-F305 HydrophobicContact CG1-CE1 4.02Å; I58-F305 HydrophobicContact CG2-CD1 4.44Å; I58-F305 HydrophobicContact CG2-CE1 3.83Å; I58-F305 HydrophobicContact CG2-CZ 4.32Å; I58-K306 HydrophobicContact CD1-CG 4.23Å; I58-K306 HydrophobicContact CG1-CG 4.1Å; I58-T347 HydrophobicContact CD1-CG2 3.58Å; I58-A351 HydrophobicContact CG2-CB 3.68Å
59M90Very high91.4Very high152 Ų15279.5 Ų79.575%0.74943%0.426SS*.  trans-110.3103.4-178.4-178.758.474.500111R61M59-R61 PolarHBondContact O-N 3.46Å
60P89.4Confident91.3Very high72 Ų7282.4 Ų82.447%0.46844%0.442SS..  trans-64.5122.4-174.5-2838.7000115.5I58 V62 L350I58-P60 WeakPolarHBondContact O-CD 3.34Å; P60-V62 HydrophobicContact CB-CG1 3.67Å; P60-V62 PolarHBondContact O-N 3.02Å; P60-L350 WeakPolarHBondContact CB-O 3.45Å
61R86.4Confident91.2Very high137 Ų13781.4 Ų81.452%0.51743%0.434SS..  trans-98.654.9172.4-58.9-60-60.3-75.22.7111.5M59 L63 R64 A351M59-R61 PolarHBondContact O-N 3.46Å; R61-L63 PolarHBondContact O-N 2.93Å; R61-R64 HydrophobicContact CB-CG 4.36Å; R61-R64 PolarHBondContact O-N 3.41Å; R61-A351 PolarHBondContact N-O 3.29Å
62V83.5Confident91.2Very high111 Ų11182.3 Ų82.367%0.67344%0.441SS*.THydrogen-bonded Turntrans-59.3-5.2-168.3-55.80000117.1P60P60-V62 HydrophobicContact CB-CG1 3.67Å; P60-V62 PolarHBondContact O-N 3.02Å
63L87.6Confident91.1Very high169 Ų16982.9 Ų82.989%0.88545%0.445SS*.THydrogen-bonded Turntrans-104.716.6179.9-60.3-178.3000113.9R61 G65R61-L63 PolarHBondContact O-N 2.93Å; L63-G65 VanDerWaalsContact C-N 3.33Å; L63-G65 PolarHBondContact O-N 3.4Å
64R84.7Confident90.9Very high90 Ų9087.8 Ų87.834%0.3447%0.466SS..SBendtrans-80-0.8178.3-80.4-172.260.1156.99.9115.8R61 I66 G352 E358 E363R61-R64 HydrophobicContact CB-CG 4.36Å; R61-R64 PolarHBondContact O-N 3.41Å; R64-I66 HydrophobicContact CB-CD1 3.76Å; R64-I66 HydrophobicContact CB-CG1 4.18Å; R64-G352 WeakPolarHBondContact CD-O 3.45Å; R64-G352 PolarHBondContact NE-O 2.93Å; R64-E358 IonicContact CZ-OE1 3.32Å; R64-E358 IonicContact NH2-OE1 3.63Å; R64-E358 PolarHBondContact NH2-OE1 2.95Å; R64-E363 IonicContact CZ-OE1 2.7Å; R64-E363 IonicContact NH1-OE1 3.18Å; R64-E363 PolarHBondContact NH1-OE1 2.7Å
65G87Confident91Very high75 Ų7582.4 Ų82.477%0.77344%0.437SS*.  trans6932.9174.400000114.3L63L63-G65 VanDerWaalsContact C-N 3.33Å; L63-G65 PolarHBondContact O-N 3.4Å
66I86.7Confident91.1Very high40 Ų4081.8 Ų81.821%0.20543%0.432CS..  trans-92.5129-174.1-70.3165.1000110.4R64 H68 Q349 G352 K354R64-I66 HydrophobicContact CB-CD1 3.76Å; R64-I66 HydrophobicContact CB-CG1 4.18Å; I66-H68 WeakPolarHBondContact CG2-O 3.46Å; I66-Q349 HydrophobicContact CG2-CG 4.28Å; I66-G352 WeakPolarHBondContact CD1-O 3.25Å; I66-K354 HydrophobicContact CB-CB 4.45Å; I66-K354 HydrophobicContact CD1-CB 3.73Å; I66-K354 HydrophobicContact CG1-CB 3.76Å; I66-K354 HydrophobicContact CG2-CB 3.87Å
67D91.3Very high91.3Very high121 Ų12181.7 Ų81.765%0.64744%0.436SS*.  trans-114.5-12.5-176.261.3-16.3000113.7
68H92.4Very high91.6Very high85 Ų8576.2 Ų76.239%0.39440%0.402SS..  trans-156158.2172.460.7-79.9000110.8I66 K354I66-H68 WeakPolarHBondContact CG2-O 3.46Å; H68-K354 PolarHBondContact CE1-NZ 2.68Å; H68-K354 VanDerWaalsContact CE1-NZ 3.27Å; H68-K354 WeakPolarHBondContact NE2-CE 3.2Å
69A93.3Very high91.9Very high14 Ų1479.6 Ų79.612%0.11642%0.421CS..  trans-108.7130.5165.700000111M348 Q349 K354A69-M348 HydrophobicContact CB-CB 3.66Å; A69-M348 HydrophobicContact CB-CE 4Å; A69-M348 HydrophobicContact CB-SD 4.13Å; A69-Q349 HydrophobicContact CB-CG 3.92Å; A69-K354 CarbonylContact C-O 3.57Å; A69-K354 VanDerWaalsContact CA-O 3.28Å; A69-K354 WeakPolarHBondContact CA-O 3.45Å
70D95.4Very high92.2Very high62 Ų6272.7 Ų72.733%0.33239%0.387SS..BIsolated β-bridgetrans-90117.3171-1792.2000109.3S72 K354 T355 I356D70-S72 VanDerWaalsContact CG-OG 3.3Å; D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.32Å; D70-S72 PolarHBondContact OD1-N 3.19Å; D70-S72 PolarHBondContact OD1-OG 3.42Å; D70-S72 PolarHBondContact OD2-OG 2.91Å; D70-K354 PolarHBondContact N-O 3.07Å; D70-T355 HydrophobicContact CB-CG2 4.04Å; D70-T355 WeakPolarHBondContact O-CA 3.36Å; D70-I356 PolarHBondContact O-N 2.74Å
71L97.1Very high92.7Very high23 Ų2371.9 Ų71.912%0.1239%0.387CS..  trans-91.3-2.4180-53.4-173.3000112.7T82 P83 N341 L344 M348 I356L71-T82 VanDerWaalsContact O-CA 3.28Å; L71-T82 WeakPolarHBondContact O-CA 3.17Å; L71-P83 VanDerWaalsContact O-CD 3.28Å; L71-P83 WeakPolarHBondContact O-CD 3.21Å; L71-N341 HydrophobicContact CD1-CB 3.64Å; L71-N341 WeakPolarHBondContact CD1-O 3.3Å; L71-L344 HydrophobicContact CD2-CD2 3.93Å; L71-L344 HydrophobicContact CD2-CG 3.91Å; L71-M348 HydrophobicContact CD2-SD 3.51Å; L71-M348 VanDerWaalsContact CD2-SD 3.51Å; L71-I356 HydrophobicContact CD2-CD1 4.42Å; L71-I356 WeakPolarHBondContact O-CG1 3.43Å
72S96.5Very high93.2Very high54 Ų5465.4 Ų65.438%0.37836%0.362SS..  trans-66.4143.9-178.168.70000111.8D70 L80D70-S72 VanDerWaalsContact CG-OG 3.3Å; D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.32Å; D70-S72 PolarHBondContact OD1-N 3.19Å; D70-S72 PolarHBondContact OD1-OG 3.42Å; D70-S72 PolarHBondContact OD2-OG 2.91Å; S72-L80 VanDerWaalsContact CA-O 3.31Å; S72-L80 WeakPolarHBondContact CA-O 3.36Å
73T95.3Very high93.9Very high13 Ų1360.1 Ų60.18%0.0833%0.33CS..EExtended strand (participates in β ladder)trans-153179.4175.9-165.20000110.1L80 P83 L314 N357T73-L80 HydrophobicContact CG2-CB 4.25Å; T73-L80 HydrophobicContact CG2-CD1 4.32Å; T73-L80 PolarHBondContact N-O 3.05Å; T73-L80 PolarHBondContact O-N 2.88Å; T73-P83 HydrophobicContact CG2-CB 4.07Å; T73-L314 HydrophobicContact CG2-CD2 3.9Å; T73-N357 PolarHBondContact OG1-ND2 3.12Å
74K94.9Very high94.4Very high102 Ų10252 Ų5244%0.44329%0.288SS..EExtended strand (participates in β ladder)trans-140.1139.9-176.9-159.5174.8-169156.60112.1W76 D77 M78 D79K74-W76 WeakPolarHBondContact CD-O 3.36Å; K74-W76 WeakPolarHBondContact CE-O 3.22Å; K74-D77 WeakPolarHBondContact CE-O 3.31Å; K74-D77 PolarHBondContact NZ-O 2.69Å; K74-M78 WeakPolarHBondContact CA-O 3.42Å; K74-M78 VanDerWaalsContact CG-O 3.24Å; K74-M78 WeakPolarHBondContact CG-O 3.31Å; K74-D79 WeakPolarHBondContact CD-OD1 3.49Å; K74-D79 WeakPolarHBondContact CE-OD1 3.48Å; K74-D79 IonicContact NZ-OD1 2.68Å; K74-D79 PolarHBondContact NZ-OD1 2.92Å; K74-D79 IonicContact NZ-OD2 2.67Å
75L96.5Very high95.1Very high4 Ų447.8 Ų47.82%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-118.7111.1165.8176.959.6000109.3D77 M78 I113 F137 F238 P291 L314L75-D77 PolarHBondContact O-N 3.01Å; L75-D77 VanDerWaalsContact O-N 3.09Å; L75-M78 HydrophobicContact CB-CE 4.06Å; L75-M78 HydrophobicContact CD2-CE 3.85Å; L75-M78 HydrophobicContact CG-CE 3.8Å; L75-M78 PolarHBondContact N-O 3.42Å; L75-M78 WeakPolarHBondContact O-CB 3.36Å; L75-M78 WeakPolarHBondContact O-CE 3.37Å; L75-M78 PolarHBondContact O-N 2.84Å; L75-I113 HydrophobicContact CD2-CD1 3.95Å; L75-F137 HydrophobicContact CD2-CE2 4.21Å; L75-F137 HydrophobicContact CD2-CZ 3.71Å; L75-F238 HydrophobicContact CD1-CZ 4.41Å; L75-F238 HydrophobicContact CD2-CE2 4.13Å; L75-F238 HydrophobicContact CD2-CZ 3.92Å; L75-P291 HydrophobicContact CD1-CB 3.64Å; L75-P291 HydrophobicContact CD1-CG 3.57Å; L75-L314 HydrophobicContact CB-CD1 4.22Å; L75-L314 HydrophobicContact CD2-CD1 3.69Å; L75-L314 HydrophobicContact CG-CD1 4.48Å
76W95.2Very high95.6Very high99 Ų9944.2 Ų44.238%0.37524%0.235SC..THydrogen-bonded Turntrans53.5-105.6-172.9-49.1-57000112.9K74 M78 F137 A163 P236 F238 D257 P291K74-W76 WeakPolarHBondContact CD-O 3.36Å; K74-W76 WeakPolarHBondContact CE-O 3.22Å; W76-M78 HydrophobicContact CE3-CE 3.72Å; W76-M78 HydrophobicContact CZ3-CE 4.08Å; W76-F137 HydrophobicContact CZ3-CZ 4.4Å; W76-A163 HydrophobicContact CH2-CB 4.38Å; W76-A163 HydrophobicContact CZ3-CB 4.21Å; W76-P236 HydrophobicContact CE3-CB 4.48Å; W76-P236 HydrophobicContact CE3-CG 4.26Å; W76-P236 HydrophobicContact CH2-CB 3.36Å; W76-P236 HydrophobicContact CH2-CG 4.02Å; W76-P236 HydrophobicContact CZ2-CB 3.94Å; W76-P236 HydrophobicContact CZ3-CB 3.68Å; W76-P236 HydrophobicContact CZ3-CG 3.86Å; W76-F238 HydrophobicContact CH2-CD2 4.21Å; W76-F238 AromaticContact CH2-CE2 3.4Å; W76-F238 HydrophobicContact CH2-CE2 3.4Å; W76-F238 VanDerWaalsContact CH2-CE2 3.4Å; W76-F238 AromaticContact CH2-CZ 3.8Å; W76-F238 HydrophobicContact CH2-CZ 3.8Å; W76-F238 HydrophobicContact CZ2-CE2 4.16Å; W76-F238 HydrophobicContact CZ2-CZ 4.12Å; W76-F238 HydrophobicContact CZ3-CE2 4.09Å; W76-D257 HydrophobicContact CZ2-CB 4.24Å; W76-P291 HydrophobicContact CZ2-CG 4.37Å
77D93.1Very high96.2Very high111 Ų11142.6 Ų42.659%0.59423%0.228SC*.THydrogen-bonded Turntrans-96.8-10.9176.667.8-36.6000113.5K74 L75K74-D77 WeakPolarHBondContact CE-O 3.31Å; K74-D77 PolarHBondContact NZ-O 2.69Å; L75-D77 PolarHBondContact O-N 3.01Å; L75-D77 VanDerWaalsContact O-N 3.09Å
78M96.4Very high96.5Very high15 Ų1537.1 Ų37.17%0.07420%0.199CC..EExtended strand (participates in β ladder)trans-88.7110.1-175.8-56.8172.1-65.200112K74 L75 W76 I113 P135 F137 K162K74-M78 WeakPolarHBondContact CA-O 3.42Å; K74-M78 VanDerWaalsContact CG-O 3.24Å; K74-M78 WeakPolarHBondContact CG-O 3.31Å; L75-M78 HydrophobicContact CB-CE 4.06Å; L75-M78 HydrophobicContact CD2-CE 3.85Å; L75-M78 HydrophobicContact CG-CE 3.8Å; L75-M78 PolarHBondContact N-O 3.42Å; L75-M78 WeakPolarHBondContact O-CB 3.36Å; L75-M78 WeakPolarHBondContact O-CE 3.37Å; L75-M78 PolarHBondContact O-N 2.84Å; W76-M78 HydrophobicContact CE3-CE 3.72Å; W76-M78 HydrophobicContact CZ3-CE 4.08Å; M78-I113 HydrophobicContact CE-CD1 4.39Å; M78-P135 HydrophobicContact CG-CB 4.23Å; M78-P135 HydrophobicContact SD-CB 3.51Å; M78-P135 VanDerWaalsContact SD-CB 3.51Å; M78-F137 HydrophobicContact CE-CE1 3.92Å; M78-F137 HydrophobicContact CE-CZ 3.96Å; M78-F137 HydrophobicContact SD-CE1 4.23Å; M78-K162 HydrophobicContact SD-CB 3.69Å; M78-K162 HydrophobicContact SD-CD 4.45Å; M78-K162 HydrophobicContact SD-CG 3.87Å
79D96.5Very high96.6Very high122 Ų12234 Ų3465%0.65219%0.186SC*.EExtended strand (participates in β ladder)trans-77.6136.5172-54.2-55.6000110.6K74K74-D79 WeakPolarHBondContact CD-OD1 3.49Å; K74-D79 WeakPolarHBondContact CE-OD1 3.48Å; K74-D79 IonicContact NZ-OD1 2.68Å; K74-D79 PolarHBondContact NZ-OD1 2.92Å; K74-D79 IonicContact NZ-OD2 2.67Å
80L98Very high96.7Very high7 Ų733.9 Ų33.94%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-129.2142.6-174.4-55174.5000111S72 T73 T82 I113 P135 L314S72-L80 VanDerWaalsContact CA-O 3.31Å; S72-L80 WeakPolarHBondContact CA-O 3.36Å; T73-L80 HydrophobicContact CG2-CB 4.25Å; T73-L80 HydrophobicContact CG2-CD1 4.32Å; T73-L80 PolarHBondContact N-O 3.05Å; T73-L80 PolarHBondContact O-N 2.88Å; L80-T82 VanDerWaalsContact C-N 3.28Å; L80-T82 PolarHBondContact O-N 3.48Å; L80-I113 HydrophobicContact CD1-CD1 4.05Å; L80-I113 HydrophobicContact CD1-CG1 4.07Å; L80-I113 HydrophobicContact CD2-CD1 4.29Å; L80-I113 HydrophobicContact CD2-CG1 3.63Å; L80-P135 HydrophobicContact CD2-CG 4.04Å; L80-L314 HydrophobicContact CD1-CD1 4.21Å; L80-L314 HydrophobicContact CD1-CD2 3.73Å
81A97.9Very high96.6Very high56 Ų5631 Ų3146%0.46317%0.17SC..SBendtrans-79.6-9.4177.600000113.8G111A81-G111 PolarHBondContact N-O 3.25Å
82T98.2Very high96.7Very high0 Ų029.9 Ų29.90%016%0.164CC..  trans-156.7149.2-178.6173.70000110.1L71 L80 I84 F337 N341L71-T82 VanDerWaalsContact O-CA 3.28Å; L71-T82 WeakPolarHBondContact O-CA 3.17Å; L80-T82 VanDerWaalsContact C-N 3.28Å; L80-T82 PolarHBondContact O-N 3.48Å; T82-I84 HydrophobicContact CG2-CB 4.43Å; T82-I84 WeakPolarHBondContact CG2-O 3.46Å; T82-I84 PolarHBondContact O-N 3.12Å; T82-I84 WeakPolarHBondContact OG1-CB 3.29Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.34Å; T82-I84 PolarHBondContact OG1-N 3.02Å; T82-I84 VanDerWaalsContact OG1-N 3.1Å; T82-F337 HydrophobicContact CG2-CD1 4.46Å; T82-N341 VanDerWaalsContact CB-OD1 3.26Å; T82-N341 WeakPolarHBondContact CB-OD1 3.28Å; T82-N341 PolarHBondContact OG1-OD1 2.94Å
83P97.4Very high96.7Very high0 Ų027.5 Ų27.50%015%0.148CC..SBendtrans-74.4-6.7169.533.9-39.1000113.2L71 T73 V304 L308 L314 V315 L344 I356L71-P83 VanDerWaalsContact O-CD 3.28Å; L71-P83 WeakPolarHBondContact O-CD 3.21Å; T73-P83 HydrophobicContact CG2-CB 4.07Å; P83-V304 HydrophobicContact CG-CG1 4.37Å; P83-L308 HydrophobicContact CB-CD1 3.93Å; P83-L308 HydrophobicContact CB-CD2 4Å; P83-L308 HydrophobicContact CG-CD1 3.66Å; P83-L314 HydrophobicContact CB-CD2 4.39Å; P83-L314 WeakPolarHBondContact O-CA 3.43Å; P83-V315 PolarHBondContact O-N 2.85Å; P83-L344 HydrophobicContact CG-CD2 3.79Å; P83-I356 HydrophobicContact CB-CG2 4.25Å; P83-I356 HydrophobicContact CG-CD1 3.78Å; P83-I356 HydrophobicContact CG-CG1 4.2Å
84I98.7Very high96.8Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-82.9126.7179.8-55.6178.1000108.8T82 S112 V304 V315 I317 F337 L340T82-I84 HydrophobicContact CG2-CB 4.43Å; T82-I84 WeakPolarHBondContact CG2-O 3.46Å; T82-I84 PolarHBondContact O-N 3.12Å; T82-I84 WeakPolarHBondContact OG1-CB 3.29Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.34Å; T82-I84 PolarHBondContact OG1-N 3.02Å; T82-I84 VanDerWaalsContact OG1-N 3.1Å; I84-S112 PolarHBondContact O-OG 3.22Å; I84-V304 HydrophobicContact CD1-CG1 4.28Å; I84-V304 HydrophobicContact CD1-CG2 3.92Å; I84-V304 HydrophobicContact CG1-CG1 3.83Å; I84-V304 HydrophobicContact CG1-CG2 4.05Å; I84-V315 CarbonylContact C-O 3.56Å; I84-V315 VanDerWaalsContact CA-O 3.26Å; I84-V315 WeakPolarHBondContact CA-O 3.3Å; I84-I317 HydrophobicContact CG2-CD1 3.7Å; I84-I317 HydrophobicContact CG2-CG1 3.77Å; I84-I317 HydrophobicContact CG2-CG2 4.4Å; I84-F337 HydrophobicContact CB-CD1 4.39Å; I84-F337 HydrophobicContact CB-CE1 4.36Å; I84-F337 HydrophobicContact CG2-CD1 4.07Å; I84-F337 HydrophobicContact CG2-CE1 3.85Å; I84-F337 WeakPolarHBondContact O-CE1 3.33Å; I84-L340 HydrophobicContact CD1-CB 3.59Å
85I98.7Very high96.9Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-121.7167.2175.570.6172.5000112S112 I113 W260 V293 L314 V315 A316 I317I85-S112 WeakPolarHBondContact CA-OG 3.36Å; I85-I113 HydrophobicContact CB-CB 4.16Å; I85-I113 HydrophobicContact CG2-CB 3.91Å; I85-I113 HydrophobicContact CG2-CD1 4.19Å; I85-I113 HydrophobicContact CG2-CG1 3.95Å; I85-W260 HydrophobicContact CD1-CH2 3.92Å; I85-W260 HydrophobicContact CD1-CZ3 4.18Å; I85-V293 HydrophobicContact CD1-CG1 3.97Å; I85-V293 HydrophobicContact CD1-CG2 4.39Å; I85-L314 HydrophobicContact CD1-CB 4.42Å; I85-L314 HydrophobicContact CD1-CD1 4.25Å; I85-L314 HydrophobicContact CG2-CB 4.42Å; I85-L314 HydrophobicContact CG2-CD1 4Å; I85-L314 HydrophobicContact CG2-CD2 4.36Å; I85-V315 PolarHBondContact N-O 3.12Å; I85-A316 HydrophobicContact CD1-CB 4.13Å; I85-A316 HydrophobicContact CG1-CB 3.54Å; I85-A316 CarbonylContact O-C 3.57Å; I85-A316 VanDerWaalsContact O-CA 3.27Å; I85-A316 WeakPolarHBondContact O-CA 3.3Å; I85-I317 WeakPolarHBondContact O-CG1 3.38Å; I85-I317 PolarHBondContact O-N 2.9Å
86Q98.6Very high97Very high1 Ų121.9 Ų21.91%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-83.2130.2172.4-177.8-89.37.800110.3T103 V107 I113 F114 S115 V321 F337Q86-T103 HydrophobicContact CG-CG2 3.95Å; Q86-V107 HydrophobicContact CB-CG1 4.39Å; Q86-V107 HydrophobicContact CB-CG2 3.76Å; Q86-V107 HydrophobicContact CG-CG2 4.27Å; Q86-I113 PolarHBondContact N-O 2.84Å; Q86-I113 VanDerWaalsContact N-O 3.08Å; Q86-F114 HydrophobicContact CG-CD2 4.42Å; Q86-S115 PolarHBondContact NE2-O 3.09Å; Q86-S115 PolarHBondContact O-OG 3.35Å; Q86-S115 VanDerWaalsContact OE1-CA 3.31Å; Q86-S115 VanDerWaalsContact OE1-CB 3.26Å; Q86-S115 PolarHBondContact OE1-O 3.06Å; Q86-V321 HydrophobicContact CG-CB 4.45Å; Q86-V321 HydrophobicContact CG-CG1 4.05Å; Q86-V321 HydrophobicContact CG-CG2 4.25Å; Q86-F337 HydrophobicContact CB-CZ 4.22Å
87A98.4Very high97Very high6 Ų623.2 Ų23.25%0.0513%0.133CC..PPolyproline II helixtrans-83.6133.1175.300000109.9S89 W260 A316 I317A87-S89 PolarHBondContact O-N 3.08Å; A87-S89 VanDerWaalsContact O-N 3.11Å; A87-S89 PolarHBondContact O-OG 2.87Å; A87-W260 HydrophobicContact CB-CZ2 4.22Å; A87-A316 HydrophobicContact CB-CB 3.72Å; A87-I317 PolarHBondContact N-O 2.99Å
88P97.5Very high97.2Very high6 Ų621.7 Ų21.74%0.03912%0.121CC..PPolyproline II helixtrans-61120.1-172.425-34.6000111.1S115 Q139 I165 K240 W260P88-S115 WeakPolarHBondContact CA-O 3.47Å; P88-Q139 HydrophobicContact CB-CB 3.48Å; P88-Q139 VanDerWaalsContact CB-CB 3.48Å; P88-Q139 HydrophobicContact CB-CG 3.87Å; P88-Q139 HydrophobicContact CG-CB 3.9Å; P88-Q139 HydrophobicContact CG-CG 3.91Å; P88-I165 HydrophobicContact CB-CD1 4.47Å; P88-I165 HydrophobicContact CG-CD1 3.93Å; P88-K240 HydrophobicContact CG-CD 4.28Å; P88-W260 HydrophobicContact CG-CH2 4.46Å; P88-W260 HydrophobicContact CG-CZ2 4.49Å
89S96.1Very high97.3Very high19 Ų1921 Ų2113%0.13312%0.118CC..  trans-130.3129.4-171.9-61.50000109.3A87 Q92A87-S89 PolarHBondContact O-N 3.08Å; A87-S89 VanDerWaalsContact O-N 3.11Å; A87-S89 PolarHBondContact O-OG 2.87Å; S89-Q92 PolarHBondContact O-NE2 2.94Å
90A93.7Very high97.3Very high12 Ų1215.2 Ų15.210%0.0999%0.087CC..SBendtrans-83.9157.5-176.300000113Q92 Y119A90-Q92 PolarHBondContact O-N 2.78Å; A90-Y119 WeakPolarHBondContact CB-O 3.47Å
91A94.6Very high97.3Very high0 Ų015.8 Ų15.80%09%0.093CC..  trans5148.2172.700000115.2Y35 G93 L94 Y119 N121 F186 M190Y35-A91 HydrophobicContact CE1-CB 4.36Å; A91-G93 PolarHBondContact O-N 3.35Å; A91-L94 HydrophobicContact CB-CD1 3.84Å; A91-L94 HydrophobicContact CB-CG 4.11Å; A91-L94 VanDerWaalsContact O-CB 3.27Å; A91-L94 WeakPolarHBondContact O-CB 3.37Å; A91-L94 VanDerWaalsContact O-CG 3.24Å; A91-L94 WeakPolarHBondContact O-CG 3.34Å; A91-L94 PolarHBondContact O-N 2.96Å; A91-L94 VanDerWaalsContact O-N 3.11Å; A91-Y119 PolarHBondContact N-O 2.95Å; A91-N121 WeakPolarHBondContact CA-OD1 3.28Å; A91-N121 PolarHBondContact O-OD1 2.72Å; A91-F186 HydrophobicContact CB-CD1 3.92Å; A91-F186 HydrophobicContact CB-CE1 3.62Å; A91-M190 HydrophobicContact CB-CE 4.41Å
92Q98Very high97.4Very high1 Ų113.7 Ų13.71%0.0057%0.074CC..G310 helixtrans-69.3-16.1-178.9-60.6177.237.200113S89 A90 L94 A95 H96 E100 T103 L325S89-Q92 PolarHBondContact O-NE2 2.94Å; A90-Q92 PolarHBondContact O-N 2.78Å; Q92-L94 PolarHBondContact O-N 2.8Å; Q92-A95 WeakPolarHBondContact O-CB 3.42Å; Q92-A95 PolarHBondContact O-N 2.91Å; Q92-H96 PolarHBondContact O-N 2.95Å; Q92-E100 HydrophobicContact CB-CG 4.12Å; Q92-E100 WeakPolarHBondContact CB-OE1 3.5Å; Q92-E100 HydrophobicContact CG-CG 4.11Å; Q92-E100 WeakPolarHBondContact CG-OE1 3.3Å; Q92-E100 PolarHBondContact N-OE1 2.82Å; Q92-T103 PolarHBondContact OE1-OG1 3.04Å; Q92-L325 HydrophobicContact CB-CD2 3.79Å
93G96.8Very high97.4Very high4 Ų413.7 Ų13.74%0.0417%0.074CC..G310 helixtrans-59.7-19.6168.700000113.8A5 A91 A95 H96 N121 L188A5-G93 VanDerWaalsContact CB-O 3.31Å; A5-G93 WeakPolarHBondContact CB-O 3.4Å; A91-G93 PolarHBondContact O-N 3.35Å; G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.41Å; G93-H96 WeakPolarHBondContact CA-O 3.28Å; G93-N121 VanDerWaalsContact CA-OD1 3.24Å; G93-N121 WeakPolarHBondContact CA-OD1 3.28Å; G93-N121 PolarHBondContact N-OD1 3.29Å; G93-L188 VanDerWaalsContact O-CD1 3.24Å; G93-L188 WeakPolarHBondContact O-CD1 3.44Å
94L96.7Very high97.4Very high1 Ų113.7 Ų13.71%0.0057%0.074CC..G310 helixtrans-61.8-35.1168.5-66.4174.6000112.1Y3 M28 A32 Y35 I36 A91 Q92 F184 F186 P187Y3-L94 HydrophobicContact CE1-CD2 4.38Å; Y3-L94 WeakPolarHBondContact CE1-O 3.45Å; Y3-L94 HydrophobicContact CE2-CD2 4.46Å; Y3-L94 PolarHBondContact OH-O 3.49Å; M28-L94 HydrophobicContact CE-CB 3.93Å; M28-L94 WeakPolarHBondContact CE-O 3.34Å; A32-L94 HydrophobicContact CB-CB 4.33Å; A32-L94 HydrophobicContact CB-CD2 3.99Å; Y35-L94 HydrophobicContact CD1-CD1 3.5Å; Y35-L94 HydrophobicContact CE1-CD1 3.97Å; Y35-L94 HydrophobicContact CG-CD1 4.45Å; I36-L94 HydrophobicContact CD1-CB 3.89Å; I36-L94 HydrophobicContact CD1-CD1 4.39Å; I36-L94 HydrophobicContact CG1-CD1 4.42Å; A91-L94 HydrophobicContact CB-CD1 3.84Å; A91-L94 HydrophobicContact CB-CG 4.11Å; A91-L94 VanDerWaalsContact O-CB 3.27Å; A91-L94 WeakPolarHBondContact O-CB 3.37Å; A91-L94 VanDerWaalsContact O-CG 3.24Å; A91-L94 WeakPolarHBondContact O-CG 3.34Å; A91-L94 PolarHBondContact O-N 2.96Å; A91-L94 VanDerWaalsContact O-N 3.11Å; Q92-L94 PolarHBondContact O-N 2.8Å; L94-F184 HydrophobicContact CD1-CZ 3.9Å; L94-F184 HydrophobicContact CD2-CE2 4.43Å; L94-F184 HydrophobicContact CD2-CZ 4.07Å; L94-F186 HydrophobicContact CD1-CD1 4.44Å; L94-F186 HydrophobicContact CD1-CE1 4.37Å; L94-P187 HydrophobicContact CD2-CG 3.88Å
95A97.9Very high97.4Very high0 Ų017.4 Ų17.40%09%0.09CC..THydrogen-bonded Turntrans-88.4-41.9-174.600000112.6S6 I36 Q92 G93 I322 L325 N326S6-A95 WeakPolarHBondContact CB-O 3.32Å; S6-A95 PolarHBondContact N-O 2.68Å; I36-A95 HydrophobicContact CD1-CB 4.27Å; Q92-A95 WeakPolarHBondContact O-CB 3.42Å; Q92-A95 PolarHBondContact O-N 2.91Å; G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.41Å; A95-I322 HydrophobicContact CB-CG2 3.55Å; A95-L325 HydrophobicContact CB-CD2 4.1Å; A95-L325 HydrophobicContact CB-CG 4.49Å; A95-N326 HydrophobicContact CB-CB 4.11Å; A95-N326 PolarHBondContact O-ND2 2.81Å
96H98.1Very high97.4Very high0 Ų017.4 Ų17.40%09%0.09CC..BIsolated β-bridgetrans-146.8147-179.3-170.9-89.7000111.3S6 N7 E8 E9 Q92 G93 K98 G99 D102 L325 G329S6-H96 CarbonylContact O-C 3.6Å; S6-H96 VanDerWaalsContact O-CA 3.3Å; S6-H96 WeakPolarHBondContact O-CA 3.23Å; S6-H96 PolarHBondContact O-CD2 3.23Å; N7-H96 PolarHBondContact O-NE2 2.98Å; E8-H96 PolarHBondContact N-NE2 3.36Å; E8-H96 VanDerWaalsContact N-NE2 3.16Å; E8-H96 PolarHBondContact O-CD2 2.84Å; E8-H96 PolarHBondContact O-NE2 3.25Å; E9-H96 VanDerWaalsContact CG-NE2 3.26Å; E9-H96 WeakPolarHBondContact CG-NE2 3.35Å; E9-H96 IonicContact OE1-CE1 2.69Å; Q92-H96 PolarHBondContact O-N 2.95Å; G93-H96 WeakPolarHBondContact CA-O 3.28Å; H96-K98 WeakPolarHBondContact CE1-CE 3.45Å; H96-K98 PolarHBondContact CE1-NZ 2.93Å; H96-K98 VanDerWaalsContact CE1-NZ 3.34Å; H96-K98 PolarHBondContact ND1-N 2.96Å; H96-K98 PolarHBondContact O-N 3.45Å; H96-K98 VanDerWaalsContact O-N 3.1Å; H96-G99 WeakPolarHBondContact O-CA 3.34Å; H96-G99 PolarHBondContact O-N 2.72Å; H96-D102 IonicContact CE1-OD2 2.6Å; H96-D102 PolarHBondContact CE1-OD2 3.47Å; H96-D102 IonicContact ND1-OD2 2.72Å; H96-D102 PolarHBondContact ND1-OD2 3.24Å; H96-L325 HydrophobicContact CB-CD1 3.83Å; H96-L325 HydrophobicContact CB-CD2 4.28Å; H96-L325 HydrophobicContact CB-CG 3.65Å; H96-L325 PolarHBondContact CD2-O 2.9Å; H96-G329 WeakPolarHBondContact NE2-CA 3.39Å
97E96.7Very high97.4Very high126 Ų12617.4 Ų17.459%0.5899%0.089SC*.THydrogen-bonded Turntrans-60.9-24.1-169.966.1175.6-159.200114.3A5 S6 N7A5-E97 HydrophobicContact CB-CB 4.47Å; S6-E97 PolarHBondContact O-N 3.45Å; N7-E97 HydrophobicContact CB-CG 4.08Å
98K97Very high97.4Very high80 Ų8018.6 Ų18.635%0.34810%0.099SC..THydrogen-bonded Turntrans-96-5.9177.1-49-174.1-147.9148.60113.5E9 H96 E100 A101 D102 T122E9-K98 IonicContact OE1-NZ 3.96Å; E9-K98 PolarHBondContact OE1-NZ 2.99Å; H96-K98 WeakPolarHBondContact CE1-CE 3.45Å; H96-K98 PolarHBondContact CE1-NZ 2.93Å; H96-K98 VanDerWaalsContact CE1-NZ 3.34Å; H96-K98 PolarHBondContact ND1-N 2.96Å; H96-K98 PolarHBondContact O-N 3.45Å; H96-K98 VanDerWaalsContact O-N 3.1Å; K98-E100 PolarHBondContact O-N 2.88Å; K98-A101 WeakPolarHBondContact O-CB 3.23Å; K98-A101 PolarHBondContact O-N 2.97Å; K98-D102 HydrophobicContact CB-CB 4.34Å; K98-D102 WeakPolarHBondContact CD-OD2 3.2Å; K98-D102 IonicContact NZ-OD2 2.63Å; K98-T122 PolarHBondContact O-OG1 3.35Å
99G97.1Very high97.4Very high1 Ų122.3 Ų22.31%0.0112%0.119CC..THydrogen-bonded Turntrans52.1-126.3170.500000114.3H96 A101H96-G99 WeakPolarHBondContact O-CA 3.34Å; H96-G99 PolarHBondContact O-N 2.72Å; G99-A101 PolarHBondContact O-N 3.15Å
100E98.2Very high97.5Very high0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-63.6-23.3-176.4-72.277.4-167.200114.2Q92 K98 T103 A104 F114 I116 A120 N121 T122Q92-E100 HydrophobicContact CB-CG 4.12Å; Q92-E100 WeakPolarHBondContact CB-OE1 3.5Å; Q92-E100 HydrophobicContact CG-CG 4.11Å; Q92-E100 WeakPolarHBondContact CG-OE1 3.3Å; Q92-E100 PolarHBondContact N-OE1 2.82Å; K98-E100 PolarHBondContact O-N 2.88Å; E100-T103 PolarHBondContact O-N 3.32Å; E100-A104 WeakPolarHBondContact O-CB 3.02Å; E100-A104 PolarHBondContact O-N 3.05Å; E100-F114 HydrophobicContact CB-CZ 4.05Å; E100-F114 HydrophobicContact CG-CZ 4.49Å; E100-I116 HydrophobicContact CB-CD1 4.26Å; E100-I116 HydrophobicContact CG-CD1 4.44Å; E100-I116 HydrophobicContact CG-CG1 4.46Å; E100-A120 VanDerWaalsContact CD-CB 3.45Å; E100-A120 HydrophobicContact CG-CB 3.73Å; E100-A120 VanDerWaalsContact OE1-CA 3.29Å; E100-A120 WeakPolarHBondContact OE1-CA 3.45Å; E100-N121 PolarHBondContact OE1-N 2.86Å; E100-N121 WeakPolarHBondContact OE2-CA 3.32Å; E100-N121 PolarHBondContact OE2-N 3.04Å; E100-T122 PolarHBondContact N-OG1 3.22Å; E100-T122 PolarHBondContact OE2-N 3.45Å; E100-T122 PolarHBondContact OE2-OG1 3.46Å
101A98Very high97.7Very high19 Ų1922.7 Ų22.716%0.15713%0.126CC..Hα-helixtrans-66.7-44.1-179.400000112.7K98 G99 T103 A104 K105 T122 A130K98-A101 WeakPolarHBondContact O-CB 3.23Å; K98-A101 PolarHBondContact O-N 2.97Å; G99-A101 PolarHBondContact O-N 3.15Å; A101-T103 VanDerWaalsContact C-N 3.33Å; A101-A104 WeakPolarHBondContact O-CB 3.45Å; A101-A104 PolarHBondContact O-N 3.37Å; A101-K105 PolarHBondContact O-N 3.45Å; A101-T122 HydrophobicContact CB-CG2 4.27Å; A101-A130 HydrophobicContact CB-CB 3.91Å
102D98.2Very high97.9Very high12 Ų1222.7 Ų22.76%0.06413%0.126CC..Hα-helixtrans-70.9-31176.6-83.8-1.7000111.6H96 K98 K105 G106 L325 A330H96-D102 IonicContact CE1-OD2 2.6Å; H96-D102 PolarHBondContact CE1-OD2 3.47Å; H96-D102 IonicContact ND1-OD2 2.72Å; H96-D102 PolarHBondContact ND1-OD2 3.24Å; K98-D102 HydrophobicContact CB-CB 4.34Å; K98-D102 WeakPolarHBondContact CD-OD2 3.2Å; K98-D102 IonicContact NZ-OD2 2.63Å; D102-K105 PolarHBondContact O-N 2.82Å; D102-G106 PolarHBondContact O-N 3.02Å; D102-L325 HydrophobicContact CB-CD1 3.74Å; D102-A330 HydrophobicContact CB-CB 4.03Å; D102-A330 WeakPolarHBondContact O-CA 3.5Å; D102-A330 WeakPolarHBondContact O-CB 3.45Å
103T98.6Very high97.9Very high0 Ų022.7 Ų22.70%013%0.126CC..Hα-helixtrans-66-43.9170.3-61.60000111.7Q86 Q92 E100 A101 K105 G106 V107 F114 V321Q86-T103 HydrophobicContact CG-CG2 3.95Å; Q92-T103 PolarHBondContact OE1-OG1 3.04Å; E100-T103 PolarHBondContact O-N 3.32Å; A101-T103 VanDerWaalsContact C-N 3.33Å; T103-K105 VanDerWaalsContact C-N 3.31Å; T103-K105 PolarHBondContact O-N 3.39Å; T103-G106 PolarHBondContact O-N 2.86Å; T103-V107 HydrophobicContact CG2-CG2 4.04Å; T103-V107 VanDerWaalsContact O-CB 3.3Å; T103-V107 WeakPolarHBondContact O-CB 3.41Å; T103-V107 WeakPolarHBondContact O-CG2 3.29Å; T103-V107 PolarHBondContact O-N 3.25Å; T103-F114 HydrophobicContact CG2-CD2 3.83Å; T103-F114 HydrophobicContact CG2-CE2 3.76Å; T103-V321 HydrophobicContact CG2-CG1 3.68Å
104A98.5Very high98Very high0 Ų022.5 Ų22.50%012%0.124CC..Hα-helixtrans-57.6-46.4175.600000111E100 A101 A108 F114 A130 A131E100-A104 WeakPolarHBondContact O-CB 3.02Å; E100-A104 PolarHBondContact O-N 3.05Å; A101-A104 WeakPolarHBondContact O-CB 3.45Å; A101-A104 PolarHBondContact O-N 3.37Å; A104-A108 VanDerWaalsContact O-CB 3.29Å; A104-A108 WeakPolarHBondContact O-CB 3.5Å; A104-A108 PolarHBondContact O-N 2.92Å; A104-F114 HydrophobicContact CB-CD1 3.56Å; A104-F114 HydrophobicContact CB-CD2 4.34Å; A104-F114 HydrophobicContact CB-CE1 3.66Å; A104-F114 HydrophobicContact CB-CE2 4.44Å; A104-F114 HydrophobicContact CB-CG 3.92Å; A104-F114 HydrophobicContact CB-CZ 4.13Å; A104-A130 HydrophobicContact CB-CB 4.48Å; A104-A131 HydrophobicContact CB-CB 4.05Å; A104-A131 WeakPolarHBondContact O-CB 3.39Å
105K98.4Very high98.1Very high78 Ų7822.5 Ų22.534%0.33912%0.124SC..Hα-helixtrans-61.6-53.5174.8-179.6-172.2161.8-152.40112.4A101 D102 T103 V107 A108 D109 A330A101-K105 PolarHBondContact O-N 3.45Å; D102-K105 PolarHBondContact O-N 2.82Å; T103-K105 VanDerWaalsContact C-N 3.31Å; T103-K105 PolarHBondContact O-N 3.39Å; K105-V107 VanDerWaalsContact C-N 3.29Å; K105-V107 PolarHBondContact O-N 3.14Å; K105-A108 CarbonylContact O-C 3.53Å; K105-A108 WeakPolarHBondContact O-CB 3.48Å; K105-A108 PolarHBondContact O-N 3.18Å; K105-A108 VanDerWaalsContact O-N 3.09Å; K105-D109 PolarHBondContact O-N 3Å; K105-A330 HydrophobicContact CB-CB 4.23Å; K105-A330 HydrophobicContact CD-CB 3.73Å; K105-A330 HydrophobicContact CG-CB 4.1Å
106G98.5Very high98.1Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-65.1-29-176.300000114.2D102 T103 A110 A330D102-G106 PolarHBondContact O-N 3.02Å; T103-G106 PolarHBondContact O-N 2.86Å; G106-A110 PolarHBondContact O-N 3.29Å; G106-A330 WeakPolarHBondContact CA-O 3.47Å
107V98.7Very high98.1Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-76.3-36.1172.7175.40000111.3Q86 T103 K105 A110 G111 S112 I113 F114 V333 F337Q86-V107 HydrophobicContact CB-CG1 4.39Å; Q86-V107 HydrophobicContact CB-CG2 3.76Å; Q86-V107 HydrophobicContact CG-CG2 4.27Å; T103-V107 HydrophobicContact CG2-CG2 4.04Å; T103-V107 VanDerWaalsContact O-CB 3.3Å; T103-V107 WeakPolarHBondContact O-CB 3.41Å; T103-V107 WeakPolarHBondContact O-CG2 3.29Å; T103-V107 PolarHBondContact O-N 3.25Å; K105-V107 VanDerWaalsContact C-N 3.29Å; K105-V107 PolarHBondContact O-N 3.14Å; V107-A110 CarbonylContact O-C 3.52Å; V107-A110 PolarHBondContact O-N 2.94Å; V107-G111 PolarHBondContact O-N 3.04Å; V107-S112 PolarHBondContact O-N 2.62Å; V107-S112 VanDerWaalsContact O-N 3.12Å; V107-I113 VanDerWaalsContact CG1-C 3.49Å; V107-I113 WeakPolarHBondContact CG1-O 3.4Å; V107-F114 HydrophobicContact CB-CB 4.19Å; V107-F114 HydrophobicContact CG1-CB 3.99Å; V107-V333 HydrophobicContact CG2-CG1 3.92Å; V107-F337 HydrophobicContact CG1-CZ 4.25Å; V107-F337 HydrophobicContact CG2-CE2 3.74Å; V107-F337 HydrophobicContact CG2-CZ 3.85Å
108A98.4Very high98Very high31 Ų3116.6 Ų16.626%0.25610%0.097SC..Hα-helixtrans-66.4-41.9172.200000112.4A104 K105 A110 G111 A131 A134A104-A108 VanDerWaalsContact O-CB 3.29Å; A104-A108 WeakPolarHBondContact O-CB 3.5Å; A104-A108 PolarHBondContact O-N 2.92Å; K105-A108 CarbonylContact O-C 3.53Å; K105-A108 WeakPolarHBondContact O-CB 3.48Å; K105-A108 PolarHBondContact O-N 3.18Å; K105-A108 VanDerWaalsContact O-N 3.09Å; A108-A110 PolarHBondContact O-N 3.32Å; A108-G111 WeakPolarHBondContact O-CA 3.42Å; A108-G111 PolarHBondContact O-N 3.39Å; A108-A131 HydrophobicContact CB-CB 3.79Å; A108-A134 HydrophobicContact CB-CB 3.55Å
109D98.3Very high97.8Very high84 Ų8413.8 Ų13.845%0.4498%0.084SC..THydrogen-bonded Turntrans-65.1-17.5173.3-70.4-27.2000112.3K105 K334K105-D109 PolarHBondContact O-N 3Å; D109-K334 HydrophobicContact CB-CD 3.98Å; D109-K334 HydrophobicContact CB-CG 4.12Å; D109-K334 VanDerWaalsContact O-CE 3.25Å; D109-K334 WeakPolarHBondContact O-CE 3.25Å
110A98.2Very high97.7Very high9 Ų913.8 Ų13.87%0.0748%0.084CC..THydrogen-bonded Turntrans-93.51.1169.800000114G106 V107 A108 K334 F337G106-A110 PolarHBondContact O-N 3.29Å; V107-A110 CarbonylContact O-C 3.52Å; V107-A110 PolarHBondContact O-N 2.94Å; A108-A110 PolarHBondContact O-N 3.32Å; A110-K334 HydrophobicContact CB-CG 4.47Å; A110-F337 HydrophobicContact CB-CB 3.56Å; A110-F337 HydrophobicContact CB-CD1 3.96Å; A110-F337 HydrophobicContact CB-CD2 4.43Å; A110-F337 HydrophobicContact CB-CG 3.74Å
111G98Very high97.6Very high30 Ų3015 Ų1531%0.3099%0.09SC..THydrogen-bonded Turntrans6839.7177.600000114.4A81 V107 A108A81-G111 PolarHBondContact N-O 3.25Å; V107-G111 PolarHBondContact O-N 3.04Å; A108-G111 WeakPolarHBondContact O-CA 3.42Å; A108-G111 PolarHBondContact O-N 3.39Å
112S98.1Very high97.4Very high1 Ų114.9 Ų14.91%0.0079%0.088CC..  trans-136176.3-170.1-173.20000114.4I84 I85 V107I84-S112 PolarHBondContact O-OG 3.22Å; I85-S112 WeakPolarHBondContact CA-OG 3.36Å; V107-S112 PolarHBondContact O-N 2.62Å; V107-S112 VanDerWaalsContact O-N 3.12Å
113I98.5Very high97.3Very high0 Ų015.6 Ų15.60%09%0.092CC..  trans-85.3126.9179.6-45.4-178.2000111.1L75 M78 L80 I85 Q86 V107 P135 F137 L314L75-I113 HydrophobicContact CD2-CD1 3.95Å; M78-I113 HydrophobicContact CE-CD1 4.39Å; L80-I113 HydrophobicContact CD1-CD1 4.05Å; L80-I113 HydrophobicContact CD1-CG1 4.07Å; L80-I113 HydrophobicContact CD2-CD1 4.29Å; L80-I113 HydrophobicContact CD2-CG1 3.63Å; I85-I113 HydrophobicContact CB-CB 4.16Å; I85-I113 HydrophobicContact CG2-CB 3.91Å; I85-I113 HydrophobicContact CG2-CD1 4.19Å; I85-I113 HydrophobicContact CG2-CG1 3.95Å; Q86-I113 PolarHBondContact N-O 2.84Å; Q86-I113 VanDerWaalsContact N-O 3.08Å; V107-I113 VanDerWaalsContact CG1-C 3.49Å; V107-I113 WeakPolarHBondContact CG1-O 3.4Å; I113-P135 WeakPolarHBondContact CA-O 3.19Å; I113-P135 HydrophobicContact CB-CG 4.46Å; I113-P135 HydrophobicContact CG1-CB 4.3Å; I113-P135 HydrophobicContact CG1-CG 3.93Å; I113-F137 HydrophobicContact CD1-CE1 4.28Å; I113-F137 HydrophobicContact CD1-CE2 3.9Å; I113-F137 HydrophobicContact CD1-CZ 3.65Å; I113-F137 HydrophobicContact CG2-CD1 3.9Å; I113-F137 HydrophobicContact CG2-CD2 3.82Å; I113-F137 HydrophobicContact CG2-CE1 4.04Å; I113-F137 HydrophobicContact CG2-CE2 3.97Å; I113-F137 HydrophobicContact CG2-CG 3.8Å; I113-F137 HydrophobicContact CG2-CZ 4.09Å; I113-L314 HydrophobicContact CD1-CD1 4.03Å
114F98.5Very high97.2Very high1 Ų115.8 Ų15.80%0.0049%0.093CC..EExtended strand (participates in β ladder)trans-96.9140.3170.4166-111.4000111.4Q86 E100 T103 A104 V107 I116 A127 P135 Q136 F137Q86-F114 HydrophobicContact CG-CD2 4.42Å; E100-F114 HydrophobicContact CB-CZ 4.05Å; E100-F114 HydrophobicContact CG-CZ 4.49Å; T103-F114 HydrophobicContact CG2-CD2 3.83Å; T103-F114 HydrophobicContact CG2-CE2 3.76Å; A104-F114 HydrophobicContact CB-CD1 3.56Å; A104-F114 HydrophobicContact CB-CD2 4.34Å; A104-F114 HydrophobicContact CB-CE1 3.66Å; A104-F114 HydrophobicContact CB-CE2 4.44Å; A104-F114 HydrophobicContact CB-CG 3.92Å; A104-F114 HydrophobicContact CB-CZ 4.13Å; V107-F114 HydrophobicContact CB-CB 4.19Å; V107-F114 HydrophobicContact CG1-CB 3.99Å; F114-I116 HydrophobicContact CE1-CB 3.69Å; F114-I116 HydrophobicContact CE1-CG2 4.45Å; F114-I116 HydrophobicContact CZ-CB 3.75Å; F114-I116 HydrophobicContact CZ-CG1 4.4Å; F114-A127 HydrophobicContact CE1-CB 4.05Å; F114-P135 PolarHBondContact N-O 2.77Å; F114-Q136 HydrophobicContact CD1-CB 4.45Å; F114-Q136 HydrophobicContact CD1-CG 4.14Å; F114-Q136 CarbonylContact O-C 3.48Å; F114-Q136 VanDerWaalsContact O-CA 3.28Å; F114-Q136 WeakPolarHBondContact O-CA 3.32Å; F114-F137 PolarHBondContact O-N 3.08Å
115S98.4Very high97.1Very high0 Ų019.4 Ų19.40%011%0.11CC..EExtended strand (participates in β ladder)trans-121108179.3-48.70000111.5Q86 P88 F137Q86-S115 PolarHBondContact NE2-O 3.09Å; Q86-S115 PolarHBondContact O-OG 3.35Å; Q86-S115 VanDerWaalsContact OE1-CA 3.31Å; Q86-S115 VanDerWaalsContact OE1-CB 3.26Å; Q86-S115 PolarHBondContact OE1-O 3.06Å; P88-S115 WeakPolarHBondContact CA-O 3.47Å; S115-F137 WeakPolarHBondContact CA-O 3.29Å
116I98.1Very high97Very high3 Ų320.1 Ų20.12%0.01512%0.118CC..EExtended strand (participates in β ladder)trans-84.7143176.2-174.5154.1000111.8E100 F114 A120 I124 A127 F137 F138 Q139E100-I116 HydrophobicContact CB-CD1 4.26Å; E100-I116 HydrophobicContact CG-CD1 4.44Å; E100-I116 HydrophobicContact CG-CG1 4.46Å; F114-I116 HydrophobicContact CE1-CB 3.69Å; F114-I116 HydrophobicContact CE1-CG2 4.45Å; F114-I116 HydrophobicContact CZ-CB 3.75Å; F114-I116 HydrophobicContact CZ-CG1 4.4Å; I116-A120 HydrophobicContact CD1-CB 3.93Å; I116-A120 HydrophobicContact CG1-CB 3.76Å; I116-I124 HydrophobicContact CG2-CG2 4.43Å; I116-A127 HydrophobicContact CD1-CB 3.5Å; I116-A127 VanDerWaalsContact CD1-CB 3.5Å; I116-F137 PolarHBondContact N-O 3.49Å; I116-F138 HydrophobicContact CG2-CD2 4.04Å; I116-Q139 WeakPolarHBondContact O-CB 3.11Å; I116-Q139 PolarHBondContact O-N 2.78Å
117S97Very high96.9Very high0 Ų020.1 Ų20.10%012%0.118CC..EExtended strand (participates in β ladder)trans-90.9148.6178.8-165.70000113.4Y119 A120 Q139 N192S117-Y119 PolarHBondContact O-N 2.91Å; S117-Y119 VanDerWaalsContact O-N 3.11Å; S117-Y119 PolarHBondContact OG-N 2.8Å; S117-A120 VanDerWaalsContact O-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.25Å; S117-A120 PolarHBondContact O-N 2.65Å; S117-A120 VanDerWaalsContact O-N 3.12Å; S117-Q139 PolarHBondContact OG-OE1 2.66Å; S117-N192 PolarHBondContact O-ND2 2.94Å
118T95.2Very high96.8Very high0 Ų020.8 Ų20.80%012%0.124CC..THydrogen-bonded Turntrans-49.7-31.3161.1-57.70000111.6F138 Q139 L140 Y141 F148 N192 L193T118-F138 WeakPolarHBondContact OG1-CZ 3.25Å; T118-Q139 PolarHBondContact N-O 3.04Å; T118-Q139 PolarHBondContact OG1-O 3.33Å; T118-L140 WeakPolarHBondContact OG1-CA 3.01Å; T118-Y141 PolarHBondContact OG1-N 3.09Å; T118-Y141 VanDerWaalsContact OG1-N 3.07Å; T118-F148 HydrophobicContact CG2-CE1 4.01Å; T118-F148 HydrophobicContact CG2-CZ 3.75Å; T118-N192 WeakPolarHBondContact O-CB 3.33Å; T118-L193 HydrophobicContact CG2-CD2 4.12Å
119Y93.9Very high96.8Very high21 Ų2122.7 Ų22.78%0.08214%0.139CC..THydrogen-bonded Turntrans-105.732.1-178-52.5-38.1000113.2A90 A91 S117 Y141 M190 L193 I213A90-Y119 WeakPolarHBondContact CB-O 3.47Å; A91-Y119 PolarHBondContact N-O 2.95Å; S117-Y119 PolarHBondContact O-N 2.91Å; S117-Y119 VanDerWaalsContact O-N 3.11Å; S117-Y119 PolarHBondContact OG-N 2.8Å; Y119-Y141 HydrophobicContact CD2-CD1 4.42Å; Y119-Y141 AromaticContact CD2-CD2 3.56Å; Y119-Y141 HydrophobicContact CD2-CD2 3.56Å; Y119-Y141 HydrophobicContact CD2-CE1 4.39Å; Y119-Y141 AromaticContact CD2-CE2 3.52Å; Y119-Y141 HydrophobicContact CD2-CE2 3.52Å; Y119-Y141 HydrophobicContact CD2-CG 4.01Å; Y119-Y141 AromaticContact CD2-CZ 3.97Å; Y119-Y141 AromaticContact CE2-CD1 3.57Å; Y119-Y141 HydrophobicContact CE2-CD1 3.57Å; Y119-Y141 AromaticContact CE2-CD2 3.37Å; Y119-Y141 HydrophobicContact CE2-CD2 3.37Å; Y119-Y141 AromaticContact CE2-CE1 3.85Å; Y119-Y141 HydrophobicContact CE2-CE1 3.85Å; Y119-Y141 AromaticContact CE2-CE2 3.66Å; Y119-Y141 HydrophobicContact CE2-CE2 3.66Å; Y119-Y141 AromaticContact CE2-CG 3.3Å; Y119-Y141 HydrophobicContact CE2-CG 3.3Å; Y119-Y141 AromaticContact CE2-CZ 3.89Å; Y119-Y141 HydrophobicContact CG-CD2 4.36Å; Y119-Y141 HydrophobicContact CG-CE2 4.49Å; Y119-Y141 AromaticContact CZ-CG 3.72Å; Y119-Y141 WeakPolarHBondContact OH-CB 3.37Å; Y119-M190 HydrophobicContact CD1-SD 4.17Å; Y119-M190 HydrophobicContact CG-SD 4.23Å; Y119-L193 HydrophobicContact CD1-CD1 3.94Å; Y119-L193 HydrophobicContact CD1-CD2 4.08Å; Y119-L193 HydrophobicContact CD1-CG 4.26Å; Y119-L193 HydrophobicContact CE1-CD1 4.12Å; Y119-L193 HydrophobicContact CE1-CD2 4Å; Y119-I213 HydrophobicContact CD1-CG2 4.12Å; Y119-I213 HydrophobicContact CD2-CG2 4.09Å; Y119-I213 HydrophobicContact CE1-CG2 3.6Å; Y119-I213 HydrophobicContact CE2-CG2 3.55Å; Y119-I213 HydrophobicContact CG-CG2 4.36Å
120A95.3Very high96.7Very high0 Ų020.6 Ų20.60%013%0.133CC..  trans-66.8160.6171.400000113E100 I116 S117 T122 M190 P191E100-A120 VanDerWaalsContact CD-CB 3.45Å; E100-A120 HydrophobicContact CG-CB 3.73Å; E100-A120 VanDerWaalsContact OE1-CA 3.29Å; E100-A120 WeakPolarHBondContact OE1-CA 3.45Å; I116-A120 HydrophobicContact CD1-CB 3.93Å; I116-A120 HydrophobicContact CG1-CB 3.76Å; S117-A120 VanDerWaalsContact O-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.25Å; S117-A120 PolarHBondContact O-N 2.65Å; S117-A120 VanDerWaalsContact O-N 3.12Å; A120-T122 WeakPolarHBondContact CB-O 3.18Å; A120-M190 WeakPolarHBondContact O-CA 3.24Å; A120-P191 WeakPolarHBondContact O-CD 3.27Å
121N94.9Very high96.6Very high26 Ų2620.5 Ų20.514%0.13913%0.133CC..SBendtrans-89.2-21.8166.4-70126.8000112.9A91 G93 E100 L188 P189 P191A91-N121 WeakPolarHBondContact CA-OD1 3.28Å; A91-N121 PolarHBondContact O-OD1 2.72Å; G93-N121 VanDerWaalsContact CA-OD1 3.24Å; G93-N121 WeakPolarHBondContact CA-OD1 3.28Å; G93-N121 PolarHBondContact N-OD1 3.29Å; E100-N121 PolarHBondContact OE1-N 2.86Å; E100-N121 WeakPolarHBondContact OE2-CA 3.32Å; E100-N121 PolarHBondContact OE2-N 3.04Å; N121-L188 WeakPolarHBondContact ND2-CB 3.16Å; N121-P189 PolarHBondContact ND2-O 3.31Å; N121-P191 WeakPolarHBondContact O-CD 3.37Å; N121-P191 WeakPolarHBondContact O-CG 3.39Å
122T94.9Very high96.4Very high17 Ų1723.8 Ų23.810%0.10415%0.149CC..SBendtrans-89.9156.5168.8-47.20000111.3K98 E100 A101 A120 D126 A127K98-T122 PolarHBondContact O-OG1 3.35Å; E100-T122 PolarHBondContact N-OG1 3.22Å; E100-T122 PolarHBondContact OE2-N 3.45Å; E100-T122 PolarHBondContact OE2-OG1 3.46Å; A101-T122 HydrophobicContact CB-CG2 4.27Å; A120-T122 WeakPolarHBondContact CB-O 3.18Å; T122-D126 HydrophobicContact CG2-CB 3.61Å; T122-A127 HydrophobicContact CG2-CB 4.12Å
123T95.4Very high96Very high26 Ų2631.7 Ų31.716%0.1619%0.191CC..  trans-73.6162.4169.674.20000111.6E125 D126 A127 P191 N192T123-E125 VanDerWaalsContact C-N 3.28Å; T123-E125 PolarHBondContact O-N 2.97Å; T123-E125 PolarHBondContact OG1-N 2.68Å; T123-D126 WeakPolarHBondContact CB-OD2 3.19Å; T123-D126 WeakPolarHBondContact CG2-OD2 3.35Å; T123-D126 WeakPolarHBondContact OG1-CB 3.29Å; T123-D126 PolarHBondContact OG1-N 3.24Å; T123-D126 PolarHBondContact OG1-OD2 3.26Å; T123-A127 PolarHBondContact O-N 2.77Å; T123-P191 HydrophobicContact CG2-CB 3.92Å; T123-P191 HydrophobicContact CG2-CG 3.99Å; T123-N192 WeakPolarHBondContact CA-OD1 3.26Å
124I96Very high95.8Very high4 Ų432.7 Ų32.72%0.02120%0.199CC..Hα-helixtrans-58.3-44.9170.5-50.1177.1000110.3I116 A128 F138 I152 K155 A156 A159 N192I116-I124 HydrophobicContact CG2-CG2 4.43Å; I124-A128 WeakPolarHBondContact O-CB 3.32Å; I124-A128 PolarHBondContact O-N 2.87Å; I124-F138 HydrophobicContact CD1-CD2 3.55Å; I124-F138 HydrophobicContact CD1-CE2 3.36Å; I124-F138 HydrophobicContact CD1-CG 4.47Å; I124-F138 HydrophobicContact CD1-CZ 4.14Å; I124-F138 HydrophobicContact CG1-CD2 4.01Å; I124-F138 HydrophobicContact CG1-CE2 3.9Å; I124-I152 HydrophobicContact CD1-CD1 3.74Å; I124-I152 HydrophobicContact CD1-CG1 4.03Å; I124-K155 HydrophobicContact CD1-CB 3.89Å; I124-A156 HydrophobicContact CD1-CB 4.4Å; I124-A159 HydrophobicContact CB-CB 4.5Å; I124-A159 HydrophobicContact CG2-CB 3.58Å; I124-N192 PolarHBondContact N-OD1 2.91Å
125E96.8Very high95.6Very high76 Ų7633.9 Ų33.936%0.35521%0.207SC..Hα-helixtrans-67.3-39.7-177.2-64.5100.3135.800113.7T123 A128 A129 K155T123-E125 VanDerWaalsContact C-N 3.28Å; T123-E125 PolarHBondContact O-N 2.97Å; T123-E125 PolarHBondContact OG1-N 2.68Å; E125-A128 PolarHBondContact O-N 2.94Å; E125-A129 WeakPolarHBondContact O-CB 3.19Å; E125-A129 PolarHBondContact O-N 2.85Å; E125-K155 IonicContact OE1-NZ 2.72Å; E125-K155 PolarHBondContact OE1-NZ 2.76Å; E125-K155 IonicContact OE2-NZ 3.7Å; E125-K155 PolarHBondContact OE2-NZ 3.12Å
126D96.7Very high95.6Very high93 Ų9334.6 Ų34.650%0.49721%0.21SC..Hα-helixtrans-70.7-37178.8-60.6-52.2000111.7T122 T123 A129 A130T122-D126 HydrophobicContact CG2-CB 3.61Å; T123-D126 WeakPolarHBondContact CB-OD2 3.19Å; T123-D126 WeakPolarHBondContact CG2-OD2 3.35Å; T123-D126 WeakPolarHBondContact OG1-CB 3.29Å; T123-D126 PolarHBondContact OG1-N 3.24Å; T123-D126 PolarHBondContact OG1-OD2 3.26Å; D126-A129 PolarHBondContact O-N 3.49Å; D126-A130 PolarHBondContact O-N 2.9Å
127A96Very high95.6Very high0 Ų034.5 Ų34.50%021%0.21CC..Hα-helixtrans-72.2-33.7175.800000112.4F114 I116 T122 T123 A130 Q136F114-A127 HydrophobicContact CE1-CB 4.05Å; I116-A127 HydrophobicContact CD1-CB 3.5Å; I116-A127 VanDerWaalsContact CD1-CB 3.5Å; T122-A127 HydrophobicContact CG2-CB 4.12Å; T123-A127 PolarHBondContact O-N 2.77Å; A127-A130 PolarHBondContact O-N 2.96Å; A127-Q136 PolarHBondContact O-NE2 3.03Å; A127-Q136 PolarHBondContact O-OE1 3.21Å
128A96.6Very high95.7Very high15 Ų1534.5 Ų34.512%0.12421%0.21CC..Hα-helixtrans-61.9-45.5167.700000111.2I124 E125 A130 A131 P132 A159I124-A128 WeakPolarHBondContact O-CB 3.32Å; I124-A128 PolarHBondContact O-N 2.87Å; E125-A128 PolarHBondContact O-N 2.94Å; A128-A130 VanDerWaalsContact C-N 3.29Å; A128-A130 PolarHBondContact O-N 2.85Å; A128-A131 CarbonylContact O-C 3.29Å; A128-A131 VanDerWaalsContact O-C 3.29Å; A128-A131 PolarHBondContact O-N 3.25Å; A128-P132 VanDerWaalsContact O-CA 3.27Å; A128-P132 WeakPolarHBondContact O-CA 3.39Å; A128-A159 HydrophobicContact CB-CB 4Å
129A97.5Very high95.8Very high70 Ų7034.5 Ų34.558%0.57921%0.21SC*.Hα-helixtrans-66.3-26177.900000114E125 D126E125-A129 WeakPolarHBondContact O-CB 3.19Å; E125-A129 PolarHBondContact O-N 2.85Å; D126-A129 PolarHBondContact O-N 3.49Å
130A97.3Very high96Very high40 Ų4033.5 Ų33.533%0.33121%0.206SC..Hα-helixtrans-71-27.7175.700000113.5A101 A104 D126 A127 A128A101-A130 HydrophobicContact CB-CB 3.91Å; A104-A130 HydrophobicContact CB-CB 4.48Å; D126-A130 PolarHBondContact O-N 2.9Å; A127-A130 PolarHBondContact O-N 2.96Å; A128-A130 VanDerWaalsContact C-N 3.29Å; A128-A130 PolarHBondContact O-N 2.85Å
131A96Very high96.1Very high8 Ų834.1 Ų34.17%0.06621%0.208CC..SBendtrans-143.766179.400000112A104 A108 A128 N133 A134 Q136A104-A131 HydrophobicContact CB-CB 4.05Å; A104-A131 WeakPolarHBondContact O-CB 3.39Å; A108-A131 HydrophobicContact CB-CB 3.79Å; A128-A131 CarbonylContact O-C 3.29Å; A128-A131 VanDerWaalsContact O-C 3.29Å; A128-A131 PolarHBondContact O-N 3.25Å; A131-N133 VanDerWaalsContact C-N 3.29Å; A131-N133 PolarHBondContact O-N 3.22Å; A131-A134 HydrophobicContact CB-CB 4.23Å; A131-A134 PolarHBondContact O-N 2.82Å; A131-Q136 PolarHBondContact O-NE2 3.34Å; A131-Q136 VanDerWaalsContact O-NE2 3.09Å
132P92.9Very high96.1Very high99 Ų9933.5 Ų33.564%0.64321%0.205SC*.THydrogen-bonded Turntrans-74.4-14.5-164.529.8-37.1000114.8A128A128-P132 VanDerWaalsContact O-CA 3.27Å; A128-P132 WeakPolarHBondContact O-CA 3.39Å
133N90.4Very high96Very high167 Ų16733.5 Ų33.589%0.89321%0.206SC*.THydrogen-bonded Turntrans-98.9-6.6177.9-64.1-27.2000112.9A131A131-N133 VanDerWaalsContact C-N 3.29Å; A131-N133 PolarHBondContact O-N 3.22Å
134A93.1Very high95.8Very high21 Ų2137.9 Ų37.917%0.17422%0.222CC..SBendtrans-92.3146.9-177.900000111.3A108 A131 Q136A108-A134 HydrophobicContact CB-CB 3.55Å; A131-A134 HydrophobicContact CB-CB 4.23Å; A131-A134 PolarHBondContact O-N 2.82Å; A134-Q136 PolarHBondContact O-N 3.04Å
135P95.7Very high95.6Very high25 Ų2540.9 Ų40.916%0.16224%0.238CC..  trans-64.7126.7170.727.3-33.1000110.3M78 L80 I113 F114 K162M78-P135 HydrophobicContact CG-CB 4.23Å; M78-P135 HydrophobicContact SD-CB 3.51Å; M78-P135 VanDerWaalsContact SD-CB 3.51Å; L80-P135 HydrophobicContact CD2-CG 4.04Å; I113-P135 WeakPolarHBondContact CA-O 3.19Å; I113-P135 HydrophobicContact CB-CG 4.46Å; I113-P135 HydrophobicContact CG1-CB 4.3Å; I113-P135 HydrophobicContact CG1-CG 3.93Å; F114-P135 PolarHBondContact N-O 2.77Å; P135-K162 HydrophobicContact CB-CG 4.37Å
136Q97.7Very high95.4Very high15 Ų1541.5 Ų41.57%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-123.8138.1177.6-54-162.41500111.3F114 A127 A131 A134 A161 K162F114-Q136 HydrophobicContact CD1-CB 4.45Å; F114-Q136 HydrophobicContact CD1-CG 4.14Å; F114-Q136 CarbonylContact O-C 3.48Å; F114-Q136 VanDerWaalsContact O-CA 3.28Å; F114-Q136 WeakPolarHBondContact O-CA 3.32Å; A127-Q136 PolarHBondContact O-NE2 3.03Å; A127-Q136 PolarHBondContact O-OE1 3.21Å; A131-Q136 PolarHBondContact O-NE2 3.34Å; A131-Q136 VanDerWaalsContact O-NE2 3.09Å; A134-Q136 PolarHBondContact O-N 3.04Å; Q136-A161 CarbonylContact O-C 3.51Å; Q136-A161 WeakPolarHBondContact O-CA 3.28Å; Q136-K162 PolarHBondContact O-N 3.07Å
137F98.6Very high95.2Very high1 Ų138.8 Ų38.80%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-108.8147.6174.6-67.9-9.6000111L75 W76 M78 I113 F114 S115 I116 K162 A163 I165 F238 W260L75-F137 HydrophobicContact CD2-CE2 4.21Å; L75-F137 HydrophobicContact CD2-CZ 3.71Å; W76-F137 HydrophobicContact CZ3-CZ 4.4Å; M78-F137 HydrophobicContact CE-CE1 3.92Å; M78-F137 HydrophobicContact CE-CZ 3.96Å; M78-F137 HydrophobicContact SD-CE1 4.23Å; I113-F137 HydrophobicContact CD1-CE1 4.28Å; I113-F137 HydrophobicContact CD1-CE2 3.9Å; I113-F137 HydrophobicContact CD1-CZ 3.65Å; I113-F137 HydrophobicContact CG2-CD1 3.9Å; I113-F137 HydrophobicContact CG2-CD2 3.82Å; I113-F137 HydrophobicContact CG2-CE1 4.04Å; I113-F137 HydrophobicContact CG2-CE2 3.97Å; I113-F137 HydrophobicContact CG2-CG 3.8Å; I113-F137 HydrophobicContact CG2-CZ 4.09Å; F114-F137 PolarHBondContact O-N 3.08Å; S115-F137 WeakPolarHBondContact CA-O 3.29Å; I116-F137 PolarHBondContact N-O 3.49Å; F137-K162 HydrophobicContact CD1-CB 4.02Å; F137-K162 HydrophobicContact CE1-CB 3.85Å; F137-A163 WeakPolarHBondContact CA-O 3.46Å; F137-A163 HydrophobicContact CD1-CB 3.57Å; F137-A163 HydrophobicContact CD2-CB 4.36Å; F137-A163 HydrophobicContact CE1-CB 3.51Å; F137-A163 HydrophobicContact CE2-CB 4.31Å; F137-A163 HydrophobicContact CG-CB 4.02Å; F137-A163 HydrophobicContact CZ-CB 3.89Å; F137-I165 HydrophobicContact CB-CD1 3.78Å; F137-I165 HydrophobicContact CB-CG1 4.16Å; F137-I165 HydrophobicContact CD2-CD1 4.13Å; F137-I165 HydrophobicContact CD2-CG1 4.31Å; F137-I165 HydrophobicContact CG-CD1 4.47Å; F137-F238 HydrophobicContact CE2-CD2 4.06Å; F137-F238 AromaticContact CE2-CE2 3.64Å; F137-F238 HydrophobicContact CE2-CE2 3.64Å; F137-F238 AromaticContact CZ-CE2 3.9Å; F137-F238 HydrophobicContact CZ-CE2 3.9Å; F137-W260 HydrophobicContact CD2-CZ3 4.47Å
138F98.6Very high95.1Very high0 Ų039.5 Ų39.50%024%0.241CC..EExtended strand (participates in β ladder)trans-107.3120.4174.7176.3-97.8000111.1I116 T118 I124 L140 I152 L153 A156 A161 A163 I164 I165I116-F138 HydrophobicContact CG2-CD2 4.04Å; T118-F138 WeakPolarHBondContact OG1-CZ 3.25Å; I124-F138 HydrophobicContact CD1-CD2 3.55Å; I124-F138 HydrophobicContact CD1-CE2 3.36Å; I124-F138 HydrophobicContact CD1-CG 4.47Å; I124-F138 HydrophobicContact CD1-CZ 4.14Å; I124-F138 HydrophobicContact CG1-CD2 4.01Å; I124-F138 HydrophobicContact CG1-CE2 3.9Å; F138-L140 HydrophobicContact CD1-CB 4.41Å; F138-L140 HydrophobicContact CE1-CB 3.97Å; F138-L140 HydrophobicContact CE1-CD1 4.06Å; F138-I152 HydrophobicContact CE1-CG1 4.27Å; F138-I152 HydrophobicContact CE1-CG2 4.25Å; F138-I152 HydrophobicContact CE2-CG1 4.12Å; F138-I152 HydrophobicContact CZ-CB 4.49Å; F138-I152 HydrophobicContact CZ-CG1 3.52Å; F138-I152 HydrophobicContact CZ-CG2 4.24Å; F138-L153 HydrophobicContact CD1-CD2 4.34Å; F138-L153 HydrophobicContact CE1-CD2 4.45Å; F138-A156 HydrophobicContact CB-CB 3.69Å; F138-A156 HydrophobicContact CD1-CB 3.91Å; F138-A156 HydrophobicContact CD2-CB 4.24Å; F138-A156 HydrophobicContact CG-CB 3.65Å; F138-A161 HydrophobicContact CB-CB 4.27Å; F138-A163 PolarHBondContact N-O 3.48Å; F138-I164 HydrophobicContact CB-CD1 4.12Å; F138-I164 HydrophobicContact CD1-CD1 4.21Å; F138-I164 CarbonylContact O-C 3.51Å; F138-I164 WeakPolarHBondContact O-CA 3.31Å; F138-I165 PolarHBondContact O-N 2.73Å
139Q98.5Very high95Very high0 Ų039 Ų390%024%0.236CC..EExtended strand (participates in β ladder)trans-85.3113.3173.4-178.5-151.123.300111.3P88 I116 S117 T118 Y141 I165 T167P88-Q139 HydrophobicContact CB-CB 3.48Å; P88-Q139 VanDerWaalsContact CB-CB 3.48Å; P88-Q139 HydrophobicContact CB-CG 3.87Å; P88-Q139 HydrophobicContact CG-CB 3.9Å; P88-Q139 HydrophobicContact CG-CG 3.91Å; I116-Q139 WeakPolarHBondContact O-CB 3.11Å; I116-Q139 PolarHBondContact O-N 2.78Å; S117-Q139 PolarHBondContact OG-OE1 2.66Å; T118-Q139 PolarHBondContact N-O 3.04Å; T118-Q139 PolarHBondContact OG1-O 3.33Å; Q139-Y141 VanDerWaalsContact CD-CE2 3.43Å; Q139-Y141 HydrophobicContact CG-CE2 4.48Å; Q139-Y141 VanDerWaalsContact NE2-CE2 3.27Å; Q139-Y141 VanDerWaalsContact OE1-CE2 3.27Å; Q139-I165 CarbonylContact C-O 3.57Å; Q139-I165 WeakPolarHBondContact CA-O 3.28Å; Q139-I165 HydrophobicContact CB-CB 4.26Å; Q139-I165 HydrophobicContact CG-CB 4.42Å; Q139-T167 WeakPolarHBondContact CG-OG1 3.32Å; Q139-T167 PolarHBondContact NE2-OG1 3.42Å
140L97.9Very high95Very high0 Ų037.4 Ų37.40%022%0.223CC..EExtended strand (participates in β ladder)trans-86.5120.3172-176.667.5000110.9T118 F138 M142 I152 L153 I164 I165 T167 I229T118-L140 WeakPolarHBondContact OG1-CA 3.01Å; F138-L140 HydrophobicContact CD1-CB 4.41Å; F138-L140 HydrophobicContact CE1-CB 3.97Å; F138-L140 HydrophobicContact CE1-CD1 4.06Å; L140-M142 HydrophobicContact CD2-CG 3.58Å; L140-M142 HydrophobicContact CG-CG 3.96Å; L140-I152 HydrophobicContact CD1-CG2 3.68Å; L140-L153 HydrophobicContact CD1-CD2 4.48Å; L140-L153 HydrophobicContact CD2-CD1 4.19Å; L140-L153 HydrophobicContact CD2-CD2 4.2Å; L140-L153 HydrophobicContact CD2-CG 4.4Å; L140-I164 HydrophobicContact CB-CG2 3.96Å; L140-I165 PolarHBondContact N-O 3.32Å; L140-T167 PolarHBondContact O-N 3.34Å; L140-T167 PolarHBondContact O-OG1 2.99Å; L140-I229 HydrophobicContact CD2-CD1 3.68Å; L140-I229 HydrophobicContact CD2-CG1 3.87Å
141Y95.6Very high94.9Very high14 Ų1436.5 Ų36.56%0.05521%0.212CC..  trans-92.7114.8151.4-74.5-94.2000107.7T118 Y119 Q139 S143 T167 H264T118-Y141 PolarHBondContact OG1-N 3.09Å; T118-Y141 VanDerWaalsContact OG1-N 3.07Å; Y119-Y141 HydrophobicContact CD2-CD1 4.42Å; Y119-Y141 AromaticContact CD2-CD2 3.56Å; Y119-Y141 HydrophobicContact CD2-CD2 3.56Å; Y119-Y141 HydrophobicContact CD2-CE1 4.39Å; Y119-Y141 AromaticContact CD2-CE2 3.52Å; Y119-Y141 HydrophobicContact CD2-CE2 3.52Å; Y119-Y141 HydrophobicContact CD2-CG 4.01Å; Y119-Y141 AromaticContact CD2-CZ 3.97Å; Y119-Y141 AromaticContact CE2-CD1 3.57Å; Y119-Y141 HydrophobicContact CE2-CD1 3.57Å; Y119-Y141 AromaticContact CE2-CD2 3.37Å; Y119-Y141 HydrophobicContact CE2-CD2 3.37Å; Y119-Y141 AromaticContact CE2-CE1 3.85Å; Y119-Y141 HydrophobicContact CE2-CE1 3.85Å; Y119-Y141 AromaticContact CE2-CE2 3.66Å; Y119-Y141 HydrophobicContact CE2-CE2 3.66Å; Y119-Y141 AromaticContact CE2-CG 3.3Å; Y119-Y141 HydrophobicContact CE2-CG 3.3Å; Y119-Y141 AromaticContact CE2-CZ 3.89Å; Y119-Y141 HydrophobicContact CG-CD2 4.36Å; Y119-Y141 HydrophobicContact CG-CE2 4.49Å; Y119-Y141 AromaticContact CZ-CG 3.72Å; Y119-Y141 WeakPolarHBondContact OH-CB 3.37Å; Q139-Y141 VanDerWaalsContact CD-CE2 3.43Å; Q139-Y141 HydrophobicContact CG-CE2 4.48Å; Q139-Y141 VanDerWaalsContact NE2-CE2 3.27Å; Q139-Y141 VanDerWaalsContact OE1-CE2 3.27Å; Y141-S143 PolarHBondContact O-N 3.17Å; Y141-T167 HydrophobicContact CD1-CG2 4.2Å; Y141-T167 HydrophobicContact CE1-CG2 3.84Å; Y141-H264 PolarHBondContact OH-CE1 2.74Å; Y141-H264 VanDerWaalsContact OH-CE1 3.27Å; Y141-H264 PolarHBondContact OH-NE2 3.43Å
142M95.1Very high94.9Very high12 Ų1236.1 Ų36.16%0.05921%0.208CC..  trans-69.9129.9-179.1-70.3-170.479.200111.4L140 L166 A217 K218 L221 D225 I229L140-M142 HydrophobicContact CD2-CG 3.58Å; L140-M142 HydrophobicContact CG-CG 3.96Å; M142-L166 HydrophobicContact CG-CD1 3.75Å; M142-L166 HydrophobicContact SD-CD1 3.77Å; M142-A217 CarbonylContact O-C 3.49Å; M142-A217 WeakPolarHBondContact O-CA 3.23Å; M142-K218 HydrophobicContact CB-CB 4.18Å; M142-K218 HydrophobicContact CB-CD 4.38Å; M142-K218 HydrophobicContact CE-CD 4.32Å; M142-K218 WeakPolarHBondContact O-CB 3.47Å; M142-K218 PolarHBondContact O-N 2.76Å; M142-L221 HydrophobicContact CB-CD2 4.09Å; M142-L221 HydrophobicContact CG-CD2 4.2Å; M142-L221 HydrophobicContact SD-CD2 3.58Å; M142-L221 VanDerWaalsContact SD-CD2 3.58Å; M142-D225 HydrophobicContact CE-CB 4.03Å; M142-D225 HydrophobicContact SD-CB 3.76Å; M142-I229 HydrophobicContact SD-CD1 4.22Å
143S93.4Very high95.2Very high18 Ų1831.5 Ų31.513%0.12618%0.178CC..BIsolated β-bridgetrans-80.8159.4167.1-1750000110.8Y141 D145 F148 N149 A216Y141-S143 PolarHBondContact O-N 3.17Å; S143-D145 PolarHBondContact O-N 3.07Å; S143-D145 WeakPolarHBondContact OG-CB 3.29Å; S143-D145 PolarHBondContact OG-N 3.22Å; S143-F148 VanDerWaalsContact CB-CD1 3.48Å; S143-N149 PolarHBondContact N-OD1 3.13Å; S143-N149 PolarHBondContact O-ND2 2.61Å; S143-A216 PolarHBondContact OG-O 3.42Å
144K92Very high95.5Very high118 Ų11827.6 Ų27.651%0.51316%0.155SC..SBendtrans-64.5-20.2161.5-72162.7177.41470112.6A215 A216 A217 K218K144-A215 PolarHBondContact NZ-O 3.32Å; K144-A216 PolarHBondContact N-O 2.87Å; K144-A217 WeakPolarHBondContact CE-O 3.32Å; K144-A217 PolarHBondContact NZ-O 3.02Å; K144-K218 HydrophobicContact CG-CB 4.43Å
145D91.8Very high95.7Very high66 Ų6628 Ų2835%0.35315%0.153SC..  trans-90.9104.7176.4-174.4-17.3000110.2S143 G147 F148 N149 Y196S143-D145 PolarHBondContact O-N 3.07Å; S143-D145 WeakPolarHBondContact OG-CB 3.29Å; S143-D145 PolarHBondContact OG-N 3.22Å; D145-G147 PolarHBondContact O-N 2.63Å; D145-G147 VanDerWaalsContact OD1-CA 3.22Å; D145-G147 WeakPolarHBondContact OD1-CA 3.47Å; D145-G147 PolarHBondContact OD1-N 3.14Å; D145-F148 HydrophobicContact CB-CB 4.04Å; D145-F148 WeakPolarHBondContact O-CB 3.06Å; D145-F148 PolarHBondContact O-N 2.76Å; D145-F148 VanDerWaalsContact O-N 3.12Å; D145-F148 PolarHBondContact OD1-N 3.33Å; D145-F148 VanDerWaalsContact OD1-N 3.14Å; D145-N149 PolarHBondContact O-N 3.47Å; D145-N149 PolarHBondContact O-ND2 3.16Å; D145-Y196 PolarHBondContact OD1-OH 2.95Å; D145-Y196 WeakPolarHBondContact OD2-CE1 3.44Å; D145-Y196 PolarHBondContact OD2-OH 2.76Å
146D92.4Very high95.8Very high90 Ų9026.8 Ų26.848%0.48115%0.145SC..Hα-helixtrans-67.4-19.6175.9-77.4-33.5000113.2N149 A150D146-N149 PolarHBondContact O-N 3.11Å; D146-N149 PolarHBondContact OD1-ND2 2.86Å; D146-A150 WeakPolarHBondContact O-CB 3.5Å; D146-A150 PolarHBondContact O-N 3.41Å
147G92.8Very high95.8Very high35 Ų3529 Ų2936%0.36116%0.159SC..Hα-helixtrans-70-35.3169.600000112.6D145 F151 Y196D145-G147 PolarHBondContact O-N 2.63Å; D145-G147 VanDerWaalsContact OD1-CA 3.22Å; D145-G147 WeakPolarHBondContact OD1-CA 3.47Å; D145-G147 PolarHBondContact OD1-N 3.14Å; G147-F151 VanDerWaalsContact O-CB 3.28Å; G147-F151 WeakPolarHBondContact O-CB 3.2Å; G147-F151 PolarHBondContact O-N 2.78Å; G147-F151 VanDerWaalsContact O-N 3.12Å; G147-Y196 WeakPolarHBondContact O-CE2 3.39Å
148F93.1Very high95.7Very high16 Ų1636.1 Ų36.17%0.0719%0.19CC..Hα-helixtrans-66.5-47167.8173.8-91000110.9T118 S143 D145 A150 F151 I152 L193 Y196T118-F148 HydrophobicContact CG2-CE1 4.01Å; T118-F148 HydrophobicContact CG2-CZ 3.75Å; S143-F148 VanDerWaalsContact CB-CD1 3.48Å; D145-F148 HydrophobicContact CB-CB 4.04Å; D145-F148 WeakPolarHBondContact O-CB 3.06Å; D145-F148 PolarHBondContact O-N 2.76Å; D145-F148 VanDerWaalsContact O-N 3.12Å; D145-F148 PolarHBondContact OD1-N 3.33Å; D145-F148 VanDerWaalsContact OD1-N 3.14Å; F148-A150 PolarHBondContact O-N 2.76Å; F148-F151 PolarHBondContact O-N 2.83Å; F148-I152 HydrophobicContact CD1-CG2 4.36Å; F148-I152 HydrophobicContact CE1-CB 4.36Å; F148-I152 HydrophobicContact CE1-CG2 3.91Å; F148-I152 HydrophobicContact CZ-CB 4.18Å; F148-I152 HydrophobicContact CZ-CG1 4.35Å; F148-I152 HydrophobicContact CZ-CG2 4.22Å; F148-I152 PolarHBondContact O-N 3.21Å; F148-L193 HydrophobicContact CE2-CD2 3.76Å; F148-L193 HydrophobicContact CZ-CD2 3.56Å; F148-Y196 HydrophobicContact CB-CD1 4.09Å; F148-Y196 HydrophobicContact CB-CD2 4.45Å; F148-Y196 HydrophobicContact CB-CE1 3.96Å; F148-Y196 HydrophobicContact CB-CE2 4.32Å; F148-Y196 HydrophobicContact CB-CG 4.33Å; F148-Y196 AromaticContact CD2-CD1 3.84Å; F148-Y196 HydrophobicContact CD2-CD1 3.84Å; F148-Y196 HydrophobicContact CD2-CD2 4.26Å; F148-Y196 AromaticContact CD2-CG 3.66Å; F148-Y196 HydrophobicContact CD2-CG 3.66Å; F148-Y196 HydrophobicContact CG-CD1 4.46Å; F148-Y196 HydrophobicContact CG-CG 4.48Å; F148-Y196 PolarHBondContact N-OH 3.12Å
149N95.5Very high95.7Very high3 Ų337.4 Ų37.42%0.01620%0.201CC..Hα-helixtrans-56.6-49.3-179.8-63.5-29.4000110.8S143 D145 D146 L153S143-N149 PolarHBondContact N-OD1 3.13Å; S143-N149 PolarHBondContact O-ND2 2.61Å; D145-N149 PolarHBondContact O-N 3.47Å; D145-N149 PolarHBondContact O-ND2 3.16Å; D146-N149 PolarHBondContact O-N 3.11Å; D146-N149 PolarHBondContact OD1-ND2 2.86Å; N149-L153 WeakPolarHBondContact O-CB 3.3Å; N149-L153 VanDerWaalsContact O-CG 3.22Å; N149-L153 WeakPolarHBondContact O-CG 3.11Å; N149-L153 PolarHBondContact O-N 2.89Å; N149-L153 VanDerWaalsContact O-N 3.15Å
150A96.5Very high95.6Very high37 Ų3739.6 Ų39.631%0.30622%0.223SC..Hα-helixtrans-63.1-42.6176.500000112.8D146 F148 E154 L232D146-A150 WeakPolarHBondContact O-CB 3.5Å; D146-A150 PolarHBondContact O-N 3.41Å; F148-A150 PolarHBondContact O-N 2.76Å; A150-E154 VanDerWaalsContact O-CB 3.3Å; A150-E154 WeakPolarHBondContact O-CB 3.5Å; A150-E154 PolarHBondContact O-N 2.8Å; A150-L232 HydrophobicContact CB-CD1 4.47Å; A150-L232 HydrophobicContact CB-CD2 4.34Å
151F95.5Very high95.6Very high21 Ų2140 Ų409%0.09223%0.227CC..Hα-helixtrans-62.8-44.7179.2166.2-104.2000113.5G147 F148 E154 K155 A195 Y196 K199G147-F151 VanDerWaalsContact O-CB 3.28Å; G147-F151 WeakPolarHBondContact O-CB 3.2Å; G147-F151 PolarHBondContact O-N 2.78Å; G147-F151 VanDerWaalsContact O-N 3.12Å; F148-F151 PolarHBondContact O-N 2.83Å; F151-E154 PolarHBondContact O-N 2.92Å; F151-K155 HydrophobicContact CE1-CD 3.95Å; F151-K155 HydrophobicContact CE2-CD 4.25Å; F151-K155 HydrophobicContact CZ-CD 3.8Å; F151-K155 VanDerWaalsContact CZ-CE 3.45Å; F151-K155 PolarHBondContact O-N 2.77Å; F151-K155 VanDerWaalsContact O-N 3.16Å; F151-A195 HydrophobicContact CE1-CB 4.21Å; F151-A195 HydrophobicContact CZ-CB 3.97Å; F151-Y196 HydrophobicContact CB-CD2 3.79Å; F151-Y196 HydrophobicContact CB-CE2 3.99Å; F151-Y196 AromaticContact CD1-CD2 3.47Å; F151-Y196 HydrophobicContact CD1-CD2 3.47Å; F151-Y196 VanDerWaalsContact CD1-CD2 3.47Å; F151-Y196 HydrophobicContact CD1-CE2 4.48Å; F151-Y196 HydrophobicContact CD1-CG 4.08Å; F151-Y196 HydrophobicContact CD2-CD2 4.47Å; F151-Y196 HydrophobicContact CE1-CD2 4.09Å; F151-Y196 HydrophobicContact CE1-CG 4.41Å; F151-Y196 AromaticContact CG-CD2 3.66Å; F151-Y196 HydrophobicContact CG-CD2 3.66Å; F151-Y196 HydrophobicContact CG-CE2 4.32Å; F151-K199 HydrophobicContact CD2-CD 3.75Å; F151-K199 HydrophobicContact CE2-CD 3.75Å
152I96.1Very high95.7Very high0 Ų043.9 Ų43.90%024%0.244CC..Hα-helixtrans-76-31.8-176-158.265.5000111.5I124 F138 L140 F148 K155 A156 N192I124-I152 HydrophobicContact CD1-CD1 3.74Å; I124-I152 HydrophobicContact CD1-CG1 4.03Å; F138-I152 HydrophobicContact CE1-CG1 4.27Å; F138-I152 HydrophobicContact CE1-CG2 4.25Å; F138-I152 HydrophobicContact CE2-CG1 4.12Å; F138-I152 HydrophobicContact CZ-CB 4.49Å; F138-I152 HydrophobicContact CZ-CG1 3.52Å; F138-I152 HydrophobicContact CZ-CG2 4.24Å; L140-I152 HydrophobicContact CD1-CG2 3.68Å; F148-I152 HydrophobicContact CD1-CG2 4.36Å; F148-I152 HydrophobicContact CE1-CB 4.36Å; F148-I152 HydrophobicContact CE1-CG2 3.91Å; F148-I152 HydrophobicContact CZ-CB 4.18Å; F148-I152 HydrophobicContact CZ-CG1 4.35Å; F148-I152 HydrophobicContact CZ-CG2 4.22Å; F148-I152 PolarHBondContact O-N 3.21Å; I152-K155 HydrophobicContact CD1-CD 4.04Å; I152-K155 PolarHBondContact O-N 3.37Å; I152-A156 PolarHBondContact O-N 3.03Å; I152-N192 HydrophobicContact CD1-CB 4Å
153L98.2Very high95.9Very high2 Ų243.3 Ų43.31%0.0124%0.241CC..Hα-helixtrans-68.7-39170.6-69.9175.8000112.3F138 L140 N149 K155 A156 V157 I164 I229 L232 T233F138-L153 HydrophobicContact CD1-CD2 4.34Å; F138-L153 HydrophobicContact CE1-CD2 4.45Å; L140-L153 HydrophobicContact CD1-CD2 4.48Å; L140-L153 HydrophobicContact CD2-CD1 4.19Å; L140-L153 HydrophobicContact CD2-CD2 4.2Å; L140-L153 HydrophobicContact CD2-CG 4.4Å; N149-L153 WeakPolarHBondContact O-CB 3.3Å; N149-L153 VanDerWaalsContact O-CG 3.22Å; N149-L153 WeakPolarHBondContact O-CG 3.11Å; N149-L153 PolarHBondContact O-N 2.89Å; N149-L153 VanDerWaalsContact O-N 3.15Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 2.64Å; L153-A156 PolarHBondContact O-N 2.74Å; L153-A156 VanDerWaalsContact O-N 3.16Å; L153-V157 WeakPolarHBondContact O-CG2 3.35Å; L153-V157 PolarHBondContact O-N 3.11Å; L153-I164 HydrophobicContact CD2-CD1 3.76Å; L153-I164 HydrophobicContact CD2-CG1 4.02Å; L153-I164 HydrophobicContact CD2-CG2 3.91Å; L153-I229 HydrophobicContact CD1-CB 4.5Å; L153-I229 HydrophobicContact CD1-CG1 4.26Å; L153-I229 HydrophobicContact CD1-CG2 4.19Å; L153-I229 HydrophobicContact CD2-CG2 4.3Å; L153-L232 HydrophobicContact CD1-CB 4.32Å; L153-L232 HydrophobicContact CD1-CD1 4.06Å; L153-T233 HydrophobicContact CB-CG2 3.82Å; L153-T233 HydrophobicContact CD1-CG2 4.22Å; L153-T233 HydrophobicContact CD2-CG2 3.98Å; L153-T233 HydrophobicContact CG-CG2 4.22Å
154E97.5Very high96.1Very high86 Ų8642.4 Ų42.440%0.40224%0.235SC..Hα-helixtrans-58.4-41.9173-173.5-168.6-174.100111.3A150 F151 K158A150-E154 VanDerWaalsContact O-CB 3.3Å; A150-E154 WeakPolarHBondContact O-CB 3.5Å; A150-E154 PolarHBondContact O-N 2.8Å; F151-E154 PolarHBondContact O-N 2.92Å; E154-K158 HydrophobicContact CG-CD 4.18Å; E154-K158 WeakPolarHBondContact O-CB 3.13Å; E154-K158 VanDerWaalsContact O-CG 3.28Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 2.69Å; E154-K158 VanDerWaalsContact O-N 3.08Å; E154-K158 WeakPolarHBondContact OE1-CE 3.13Å; E154-K158 IonicContact OE1-NZ 3.81Å; E154-K158 PolarHBondContact OE1-NZ 3.14Å
155K96.8Very high96.4Very high29 Ų2936.8 Ų36.813%0.12621%0.211CC..Hα-helixtrans-63.3-45.7172.3-79.3174.4148.9-72.80112.2I124 E125 F151 I152 L153 V157 K158 A159I124-K155 HydrophobicContact CD1-CB 3.89Å; E125-K155 IonicContact OE1-NZ 2.72Å; E125-K155 PolarHBondContact OE1-NZ 2.76Å; E125-K155 IonicContact OE2-NZ 3.7Å; E125-K155 PolarHBondContact OE2-NZ 3.12Å; F151-K155 HydrophobicContact CE1-CD 3.95Å; F151-K155 HydrophobicContact CE2-CD 4.25Å; F151-K155 HydrophobicContact CZ-CD 3.8Å; F151-K155 VanDerWaalsContact CZ-CE 3.45Å; F151-K155 PolarHBondContact O-N 2.77Å; F151-K155 VanDerWaalsContact O-N 3.16Å; I152-K155 HydrophobicContact CD1-CD 4.04Å; I152-K155 PolarHBondContact O-N 3.37Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 2.64Å; K155-V157 PolarHBondContact O-N 3.37Å; K155-K158 PolarHBondContact O-N 2.76Å; K155-A159 WeakPolarHBondContact O-CB 3.16Å; K155-A159 PolarHBondContact O-N 3.1Å
156A97.7Very high96.8Very high0 Ų034 Ų340%020%0.196CC..Hα-helixtrans-58.1-45.6178.600000112.6I124 F138 I152 L153 A159 G160 A161 I164I124-A156 HydrophobicContact CD1-CB 4.4Å; F138-A156 HydrophobicContact CB-CB 3.69Å; F138-A156 HydrophobicContact CD1-CB 3.91Å; F138-A156 HydrophobicContact CD2-CB 4.24Å; F138-A156 HydrophobicContact CG-CB 3.65Å; I152-A156 PolarHBondContact O-N 3.03Å; L153-A156 PolarHBondContact O-N 2.74Å; L153-A156 VanDerWaalsContact O-N 3.16Å; A156-A159 PolarHBondContact O-N 3.4Å; A156-G160 PolarHBondContact O-N 2.85Å; A156-A161 HydrophobicContact CB-CB 4.24Å; A156-A161 WeakPolarHBondContact O-CB 3.23Å; A156-A161 PolarHBondContact O-N 2.83Å; A156-I164 HydrophobicContact CB-CD1 4.11Å
157V98.1Very high97Very high61 Ų6129.9 Ų29.937%0.3717%0.174SC..Hα-helixtrans-63-45.3175.6174.50000111.1L153 K155 A159 G160 T233 L235L153-V157 WeakPolarHBondContact O-CG2 3.35Å; L153-V157 PolarHBondContact O-N 3.11Å; K155-V157 PolarHBondContact O-N 3.37Å; V157-A159 VanDerWaalsContact C-N 3.31Å; V157-A159 PolarHBondContact O-N 2.73Å; V157-G160 PolarHBondContact O-N 3.16Å; V157-T233 HydrophobicContact CG2-CG2 3.79Å; V157-L235 HydrophobicContact CG2-CD1 3.88Å; V157-L235 HydrophobicContact CG2-CG 4.39Å
158K97.5Very high97.2Very high150 Ų15030 Ų3065%0.65217%0.172SC*.Hα-helixtrans-65.7-30.1178.8-75.6172.2177176.10113.9E154 K155 G160E154-K158 HydrophobicContact CG-CD 4.18Å; E154-K158 WeakPolarHBondContact O-CB 3.13Å; E154-K158 VanDerWaalsContact O-CG 3.28Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 2.69Å; E154-K158 VanDerWaalsContact O-N 3.08Å; E154-K158 WeakPolarHBondContact OE1-CE 3.13Å; E154-K158 IonicContact OE1-NZ 3.81Å; E154-K158 PolarHBondContact OE1-NZ 3.14Å; K155-K158 PolarHBondContact O-N 2.76Å; K158-G160 PolarHBondContact O-N 3.12Å
159A97Very high97.3Very high27 Ų2730.8 Ų30.822%0.22318%0.176CC..THydrogen-bonded Turntrans-78.1-3.5173.900000113.5I124 A128 K155 A156 V157I124-A159 HydrophobicContact CB-CB 4.5Å; I124-A159 HydrophobicContact CG2-CB 3.58Å; A128-A159 HydrophobicContact CB-CB 4Å; K155-A159 WeakPolarHBondContact O-CB 3.16Å; K155-A159 PolarHBondContact O-N 3.1Å; A156-A159 PolarHBondContact O-N 3.4Å; V157-A159 VanDerWaalsContact C-N 3.31Å; V157-A159 PolarHBondContact O-N 2.73Å
160G96.7Very high97.1Very high46 Ų4630.7 Ų30.747%0.47418%0.176SC..THydrogen-bonded Turntrans83.321.1177.400000115A156 V157 K158A156-G160 PolarHBondContact O-N 2.85Å; V157-G160 PolarHBondContact O-N 3.16Å; K158-G160 PolarHBondContact O-N 3.12Å
161A98.1Very high96.7Very high10 Ų1030.3 Ų30.38%0.08317%0.17CC..  trans-55.6138.917700000111.6Q136 F138 A156 L235Q136-A161 CarbonylContact O-C 3.51Å; Q136-A161 WeakPolarHBondContact O-CA 3.28Å; F138-A161 HydrophobicContact CB-CB 4.27Å; A156-A161 HydrophobicContact CB-CB 4.24Å; A156-A161 WeakPolarHBondContact O-CB 3.23Å; A156-A161 PolarHBondContact O-N 2.83Å; A161-L235 HydrophobicContact CB-CD1 4.4Å; A161-L235 VanDerWaalsContact O-CD1 3.28Å; A161-L235 WeakPolarHBondContact O-CD1 2.99Å; A161-L235 WeakPolarHBondContact O-CD2 3.3Å
162K97.8Very high96.3Very high94 Ų9434.5 Ų34.541%0.40919%0.193SC..SBendtrans-93.9-21.1-173.5-65.2-65.5-173.8167.10114.2M78 P135 Q136 F137 P236M78-K162 HydrophobicContact SD-CB 3.69Å; M78-K162 HydrophobicContact SD-CD 4.45Å; M78-K162 HydrophobicContact SD-CG 3.87Å; P135-K162 HydrophobicContact CB-CG 4.37Å; Q136-K162 PolarHBondContact O-N 3.07Å; F137-K162 HydrophobicContact CD1-CB 4.02Å; F137-K162 HydrophobicContact CE1-CB 3.85Å; K162-P236 WeakPolarHBondContact O-CD 3.08Å
163A98.6Very high95.9Very high0 Ų036.2 Ų36.20%021%0.21CC..EExtended strand (participates in β ladder)trans-155.7159.517100000110.2W76 F137 F138 P236 F238W76-A163 HydrophobicContact CH2-CB 4.38Å; W76-A163 HydrophobicContact CZ3-CB 4.21Å; F137-A163 WeakPolarHBondContact CA-O 3.46Å; F137-A163 HydrophobicContact CD1-CB 3.57Å; F137-A163 HydrophobicContact CD2-CB 4.36Å; F137-A163 HydrophobicContact CE1-CB 3.51Å; F137-A163 HydrophobicContact CE2-CB 4.31Å; F137-A163 HydrophobicContact CG-CB 4.02Å; F137-A163 HydrophobicContact CZ-CB 3.89Å; F138-A163 PolarHBondContact N-O 3.48Å; A163-P236 CarbonylContact C-O 3.6Å; A163-P236 VanDerWaalsContact CA-O 3.27Å; A163-P236 WeakPolarHBondContact CA-O 3.1Å; A163-P236 HydrophobicContact CB-CB 4.21Å; A163-P236 WeakPolarHBondContact CB-O 3.26Å; A163-F238 HydrophobicContact CB-CD2 4.09Å; A163-F238 HydrophobicContact CB-CE2 4.33Å
164I98.8Very high95.5Very high0 Ų036.8 Ų36.80%022%0.216CC..EExtended strand (participates in β ladder)trans-102.8136.3169.1-51-59000109.1F138 L140 L153 A156 I229 T233 L235 P236 V237 F238F138-I164 HydrophobicContact CB-CD1 4.12Å; F138-I164 HydrophobicContact CD1-CD1 4.21Å; F138-I164 CarbonylContact O-C 3.51Å; F138-I164 WeakPolarHBondContact O-CA 3.31Å; L140-I164 HydrophobicContact CB-CG2 3.96Å; L153-I164 HydrophobicContact CD2-CD1 3.76Å; L153-I164 HydrophobicContact CD2-CG1 4.02Å; L153-I164 HydrophobicContact CD2-CG2 3.91Å; A156-I164 HydrophobicContact CB-CD1 4.11Å; I164-I229 HydrophobicContact CB-CG2 3.92Å; I164-I229 HydrophobicContact CG1-CG2 3.99Å; I164-I229 HydrophobicContact CG2-CG2 3.74Å; I164-T233 HydrophobicContact CD1-CG2 4.38Å; I164-T233 HydrophobicContact CG1-CG2 4.19Å; I164-L235 HydrophobicContact CD1-CD1 3.96Å; I164-L235 HydrophobicContact CG1-CB 4.35Å; I164-L235 HydrophobicContact CG1-CD1 4.28Å; I164-P236 PolarHBondContact N-O 3.25Å; I164-V237 HydrophobicContact CB-CG2 4.37Å; I164-V237 CarbonylContact O-C 3.48Å; I164-V237 WeakPolarHBondContact O-CA 3.4Å; I164-F238 PolarHBondContact O-N 3.06Å
165I98.8Very high95.4Very high0 Ų038.9 Ų38.90%022%0.222CC..EExtended strand (participates in β ladder)trans-106.298.5173.7-50.3161000107.9P88 F137 F138 Q139 L140 T167 F238 K240 W260P88-I165 HydrophobicContact CB-CD1 4.47Å; P88-I165 HydrophobicContact CG-CD1 3.93Å; F137-I165 HydrophobicContact CB-CD1 3.78Å; F137-I165 HydrophobicContact CB-CG1 4.16Å; F137-I165 HydrophobicContact CD2-CD1 4.13Å; F137-I165 HydrophobicContact CD2-CG1 4.31Å; F137-I165 HydrophobicContact CG-CD1 4.47Å; F138-I165 PolarHBondContact O-N 2.73Å; Q139-I165 CarbonylContact C-O 3.57Å; Q139-I165 WeakPolarHBondContact CA-O 3.28Å; Q139-I165 HydrophobicContact CB-CB 4.26Å; Q139-I165 HydrophobicContact CG-CB 4.42Å; L140-I165 PolarHBondContact N-O 3.32Å; I165-T167 PolarHBondContact O-N 2.74Å; I165-F238 CarbonylContact C-O 3.59Å; I165-F238 WeakPolarHBondContact CA-O 3.48Å; I165-F238 HydrophobicContact CG1-CB 4.43Å; I165-F238 HydrophobicContact CG2-CB 4.46Å; I165-K240 HydrophobicContact CG2-CB 3.5Å; I165-K240 HydrophobicContact CG2-CD 4.11Å; I165-K240 HydrophobicContact CG2-CG 4.39Å; I165-W260 HydrophobicContact CD1-CE3 4.15Å; I165-W260 HydrophobicContact CD1-CH2 3.87Å; I165-W260 HydrophobicContact CD1-CZ3 3.42Å; I165-W260 VanDerWaalsContact CD1-CZ3 3.42Å; I165-W260 HydrophobicContact CG1-CE3 4.18Å; I165-W260 HydrophobicContact CG1-CZ3 3.89Å; I165-W260 HydrophobicContact CG2-CD2 4.42Å; I165-W260 HydrophobicContact CG2-CE3 4Å; I165-W260 HydrophobicContact CG2-CZ3 4.35Å
166L98.6Very high95.3Very high7 Ų738 Ų384%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-70121.9171.9171.757.9000109.1M142 L221 I226 I229 V237 F238 K240M142-L166 HydrophobicContact CG-CD1 3.75Å; M142-L166 HydrophobicContact SD-CD1 3.77Å; L166-L221 HydrophobicContact CD1-CD2 4.43Å; L166-I226 HydrophobicContact CD2-CG1 3.78Å; L166-I229 HydrophobicContact CB-CD1 4.02Å; L166-I229 HydrophobicContact CD1-CD1 3.91Å; L166-I229 HydrophobicContact CD2-CD1 3.98Å; L166-I229 HydrophobicContact CG-CD1 4.17Å; L166-V237 HydrophobicContact CB-CG1 4.3Å; L166-F238 PolarHBondContact N-O 3.02Å; L166-K240 PolarHBondContact O-N 2.81Å
167T97.9Very high95.2Very high3 Ų342.7 Ų42.72%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-94.3107.9178.8-56.30000111Q139 L140 Y141 I165 D169Q139-T167 WeakPolarHBondContact CG-OG1 3.32Å; Q139-T167 PolarHBondContact NE2-OG1 3.42Å; L140-T167 PolarHBondContact O-N 3.34Å; L140-T167 PolarHBondContact O-OG1 2.99Å; Y141-T167 HydrophobicContact CD1-CG2 4.2Å; Y141-T167 HydrophobicContact CE1-CG2 3.84Å; I165-T167 PolarHBondContact O-N 2.74Å; T167-D169 WeakPolarHBondContact CG2-OD1 3.12Å
168A96.8Very high95Very high38 Ų3841.8 Ų41.831%0.31423%0.231SC..  trans-96.3-28.5-178.500000114.1S170 L221 V239 K240A168-S170 VanDerWaalsContact C-N 3.3Å; A168-S170 PolarHBondContact O-N 2.91Å; A168-L221 HydrophobicContact CB-CD1 4.15Å; A168-V239 HydrophobicContact CB-CG1 4.31Å; A168-K240 PolarHBondContact N-O 2.85Å
169D94.1Very high94.8Very high32 Ų3235.4 Ų35.417%0.17120%0.204CC..SBendtrans-74.5-10.5-177.156.28.7000115.2T167 K240 G241 H264 Q268T167-D169 WeakPolarHBondContact CG2-OD1 3.12Å; D169-K240 IonicContact OD2-NZ 3.72Å; D169-K240 PolarHBondContact OD2-NZ 3.28Å; D169-K240 VanDerWaalsContact OD2-NZ 3.07Å; D169-G241 WeakPolarHBondContact OD2-CA 3.18Å; D169-H264 IonicContact OD1-CE1 3.16Å; D169-H264 IonicContact OD1-CG 3.69Å; D169-H264 IonicContact OD1-ND1 2.72Å; D169-H264 PolarHBondContact OD1-ND1 3.28Å; D169-H264 WeakPolarHBondContact OD2-CB 3.19Å; D169-H264 IonicContact OD2-CG 3.47Å; D169-H264 PolarHBondContact OD2-N 2.64Å; D169-H264 VanDerWaalsContact OD2-N 3.16Å; D169-H264 IonicContact OD2-ND1 2.68Å; D169-H264 PolarHBondContact OD2-ND1 3.23Å; D169-H264 VanDerWaalsContact OD2-ND1 3.16Å; D169-Q268 WeakPolarHBondContact O-CG 3.48Å
170S91.7Very high94.6Very high1 Ų138.3 Ų38.31%0.00722%0.215CC..  trans-134.250.6-164.2-166.90000111.6A168 Y214 Q268A168-S170 VanDerWaalsContact C-N 3.3Å; A168-S170 PolarHBondContact O-N 2.91Å; S170-Y214 PolarHBondContact OG-OH 3.4Å; S170-Q268 PolarHBondContact OG-NE2 3.5Å
171T88.5Confident94.5Very high29 Ų2941.1 Ų41.118%0.17822%0.223CC..SBendtrans-85.8-15.517364.80000113.2K218 Q219 L221T171-K218 WeakPolarHBondContact CG2-O 3.35Å; T171-Q219 PolarHBondContact O-NE2 2.9Å; T171-L221 HydrophobicContact CG2-CD1 3.5Å; T171-L221 VanDerWaalsContact CG2-CD1 3.5Å; T171-L221 HydrophobicContact CG2-CG 3.96Å
172L88Confident94.3Very high110 Ų11042.1 Ų42.158%0.57623%0.227SC*.SBendtrans-128.4155.4169.9-65.9174.5000108.2Y214 Q219L172-Y214 VanDerWaalsContact O-CE1 3.3Å; L172-Y214 WeakPolarHBondContact O-CE1 3.39Å; L172-Q219 HydrophobicContact CD2-CG 3.73Å; L172-Q219 HydrophobicContact CG-CG 4.18Å
173G86.6Confident94.1Very high35 Ų3546.4 Ų46.436%0.36125%0.245SC..  trans-81.2127.4168.100000109.8Y214G173-Y214 VanDerWaalsContact CA-CE2 3.42Å; G173-Y214 VanDerWaalsContact CA-CZ 3.49Å; G173-Y214 VanDerWaalsContact N-CD1 3.3Å
174G90.9Very high93.7Very high14 Ų1447.3 Ų47.314%0.14425%0.249CC..  trans-58.1160.7168.400000112.8R176 Q268G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 WeakPolarHBondContact O-CG 3.49Å; G174-R176 PolarHBondContact O-N 3.17Å; G174-Q268 WeakPolarHBondContact CA-O 3.46Å
175Y94.4Very high93.3Very high131 Ų13154.2 Ų54.251%0.51428%0.282SS..  trans-76.381.9178.9-172.7-100.2000110.6E41 E177 I180E41-Y175 HydrophobicContact CG-CD1 4.06Å; E41-Y175 PolarHBondContact N-O 2.91Å; Y175-E177 HydrophobicContact CD1-CG 4.14Å; Y175-E177 HydrophobicContact CE1-CG 3.81Å; Y175-E177 WeakPolarHBondContact CE1-OE1 3.38Å; Y175-E177 PolarHBondContact O-N 2.92Å; Y175-I180 HydrophobicContact CD2-CD1 4Å; Y175-I180 HydrophobicContact CE1-CD1 4.39Å; Y175-I180 HydrophobicContact CE2-CD1 3.54Å
176R94.2Very high92.8Very high10 Ų1054.9 Ų54.94%0.03828%0.284CS..  trans-88.799.7-175.4-53.9-166.1-155.5107.610.4111.1G39 G174 E178 D179 I180 Y214 R267G39-R176 WeakPolarHBondContact O-CB 3.44Å; G39-R176 WeakPolarHBondContact O-CG 3.46Å; G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 WeakPolarHBondContact O-CG 3.49Å; G174-R176 PolarHBondContact O-N 3.17Å; R176-E178 VanDerWaalsContact C-N 3.26Å; R176-E178 PolarHBondContact O-N 2.75Å; R176-D179 HydrophobicContact CB-CB 4.16Å; R176-D179 WeakPolarHBondContact CD-OD2 3.33Å; R176-D179 IonicContact NH1-OD2 2.73Å; R176-D179 PolarHBondContact NH1-OD2 3.31Å; R176-D179 PolarHBondContact O-N 3.11Å; R176-D179 VanDerWaalsContact O-N 3.17Å; R176-I180 WeakPolarHBondContact O-CG1 3.42Å; R176-I180 PolarHBondContact O-N 2.97Å; R176-Y214 PolarHBondContact NH2-OH 3.24Å; R176-Y214 VanDerWaalsContact NH2-OH 3.1Å; R176-R267 PolarHBondContact NE-O 3.14Å
177E95.8Very high92.4Very high99 Ų9957.3 Ų57.346%0.46330%0.301SS..Hα-helixtrans-61.2-33.9-178-59.9-148141.500113Y175 D179 I180 V181Y175-E177 HydrophobicContact CD1-CG 4.14Å; Y175-E177 HydrophobicContact CE1-CG 3.81Å; Y175-E177 WeakPolarHBondContact CE1-OE1 3.38Å; Y175-E177 PolarHBondContact O-N 2.92Å; E177-D179 VanDerWaalsContact C-N 3.32Å; E177-D179 PolarHBondContact O-N 3.27Å; E177-I180 PolarHBondContact O-N 3.03Å; E177-V181 WeakPolarHBondContact O-CB 3.33Å; E177-V181 VanDerWaalsContact O-CG2 3.29Å; E177-V181 WeakPolarHBondContact O-CG2 3.35Å; E177-V181 PolarHBondContact O-N 2.94Å
178E93.7Very high92Very high42 Ų4259.4 Ų59.420%0.19631%0.312CS..Hα-helixtrans-68-30.4179.3-156.2169-172.600112.2G34 R37 R176 N182G34-E178 VanDerWaalsContact CA-CD 3.48Å; R37-E178 WeakPolarHBondContact CD-OE2 3.28Å; R37-E178 IonicContact CZ-OE2 2.75Å; R37-E178 IonicContact NH1-OE2 3.75Å; R37-E178 PolarHBondContact NH1-OE2 2.66Å; R176-E178 VanDerWaalsContact C-N 3.26Å; R176-E178 PolarHBondContact O-N 2.75Å; E178-N182 WeakPolarHBondContact O-CB 3.46Å; E178-N182 PolarHBondContact O-N 2.9Å; E178-N182 PolarHBondContact O-ND2 2.91Å
179D93.6Very high91.5Very high15 Ų1561.3 Ų61.38%0.0832%0.321CS..Hα-helixtrans-68.1-43.3170.7-73-22.8000110.6Y35 R176 E177 K183 F184 I210Y35-D179 VanDerWaalsContact CA-OD1 3.23Å; Y35-D179 WeakPolarHBondContact CA-OD1 3.43Å; Y35-D179 WeakPolarHBondContact CB-OD1 3.08Å; R176-D179 HydrophobicContact CB-CB 4.16Å; R176-D179 WeakPolarHBondContact CD-OD2 3.33Å; R176-D179 IonicContact NH1-OD2 2.73Å; R176-D179 PolarHBondContact NH1-OD2 3.31Å; R176-D179 PolarHBondContact O-N 3.11Å; R176-D179 VanDerWaalsContact O-N 3.17Å; E177-D179 VanDerWaalsContact C-N 3.32Å; E177-D179 PolarHBondContact O-N 3.27Å; D179-K183 PolarHBondContact O-N 2.95Å; D179-F184 PolarHBondContact O-N 3.06Å; D179-I210 HydrophobicContact CB-CD1 4.4Å
180I93.5Very high91.4Very high88 Ų8860.5 Ų60.545%0.45132%0.316SS..Hα-helixtrans-68.6-48.7-177.5-62.9167.5000111.6Y175 R176 E177 N182 K183Y175-I180 HydrophobicContact CD2-CD1 4Å; Y175-I180 HydrophobicContact CE1-CD1 4.39Å; Y175-I180 HydrophobicContact CE2-CD1 3.54Å; R176-I180 WeakPolarHBondContact O-CG1 3.42Å; R176-I180 PolarHBondContact O-N 2.97Å; E177-I180 PolarHBondContact O-N 3.03Å; I180-N182 VanDerWaalsContact C-N 3.27Å; I180-N182 PolarHBondContact O-N 3.39Å; I180-K183 PolarHBondContact O-N 3.37Å
181V95.1Very high91.3Very high105 Ų10562 Ų6264%0.63633%0.326SS*.Hα-helixtrans-63.1-34.6-179.2167.60000111.5E177E177-V181 WeakPolarHBondContact O-CB 3.33Å; E177-V181 VanDerWaalsContact O-CG2 3.29Å; E177-V181 WeakPolarHBondContact O-CG2 3.35Å; E177-V181 PolarHBondContact O-N 2.94Å
182N94Very high91.4Very high32 Ų3260.6 Ų60.617%0.17132%0.317CS..Hα-helixtrans-84.6-9.2174.6-68.2-45.3000113.8K30 E178 I180 F184K30-N182 WeakPolarHBondContact CD-OD1 3.24Å; K30-N182 WeakPolarHBondContact CE-OD1 3.21Å; K30-N182 WeakPolarHBondContact CG-OD1 3.5Å; K30-N182 PolarHBondContact NZ-OD1 3.39Å; K30-N182 PolarHBondContact O-ND2 2.79Å; E178-N182 WeakPolarHBondContact O-CB 3.46Å; E178-N182 PolarHBondContact O-N 2.9Å; E178-N182 PolarHBondContact O-ND2 2.91Å; I180-N182 VanDerWaalsContact C-N 3.27Å; I180-N182 PolarHBondContact O-N 3.39Å; N182-F184 PolarHBondContact O-N 3.11Å
183K92Very high91.3Very high183 Ų18356.4 Ų56.480%0.79630%0.295SS*.THydrogen-bonded Turntrans53.741.2-172.6-54.9179.9-179.4179.80112.3D179 I180D179-K183 PolarHBondContact O-N 2.95Å; I180-K183 PolarHBondContact O-N 3.37Å
184F91.7Very high91.1Very high20 Ų2057 Ų579%0.08830%0.297CS..  trans-66.9138.9-168-179.7-110.3000112.9A32 Y35 L94 D179 N182 F186 I210A32-F184 HydrophobicContact CB-CE2 4.25Å; Y35-F184 VanDerWaalsContact CB-CE1 3.48Å; Y35-F184 HydrophobicContact CD1-CE1 4.07Å; Y35-F184 HydrophobicContact CD1-CZ 4.46Å; Y35-F184 AromaticContact CD2-CD1 3.99Å; Y35-F184 HydrophobicContact CD2-CD1 3.99Å; Y35-F184 AromaticContact CD2-CE1 3.74Å; Y35-F184 HydrophobicContact CD2-CE1 3.74Å; Y35-F184 AromaticContact CG-CD1 3.93Å; Y35-F184 HydrophobicContact CG-CD1 3.93Å; Y35-F184 AromaticContact CG-CE1 3.46Å; Y35-F184 HydrophobicContact CG-CE1 3.46Å; Y35-F184 VanDerWaalsContact CG-CE1 3.46Å; Y35-F184 HydrophobicContact CG-CZ 4.16Å; L94-F184 HydrophobicContact CD1-CZ 3.9Å; L94-F184 HydrophobicContact CD2-CE2 4.43Å; L94-F184 HydrophobicContact CD2-CZ 4.07Å; D179-F184 PolarHBondContact O-N 3.06Å; N182-F184 PolarHBondContact O-N 3.11Å; F184-F186 AromaticContact CE1-CD1 3.95Å; F184-F186 HydrophobicContact CE1-CD1 3.95Å; F184-F186 AromaticContact CE1-CE1 3.9Å; F184-F186 HydrophobicContact CE1-CE1 3.9Å; F184-F186 HydrophobicContact CE1-CG 4.43Å; F184-F186 HydrophobicContact CE1-CZ 4.34Å; F184-F186 HydrophobicContact CZ-CD1 4.03Å; F184-F186 HydrophobicContact CZ-CE1 4.31Å; F184-I210 HydrophobicContact CD1-CD1 3.99Å
185Q88.5Confident90.6Very high145 Ų14557.9 Ų57.968%0.67830%0.303SS*.  trans-137.5147.5172.3-66.5-177.3-28.500107.6P187Q185-P187 VanDerWaalsContact O-CD 3.25Å; Q185-P187 WeakPolarHBondContact O-CD 3.42Å
186F89.9Confident89.9Confident13 Ų1353.8 Ų53.86%0.05729%0.287CS..  trans-69116.8-179.7-70.3-74000110.7Y35 A91 L94 F184 L188 M190 K208 I210 I213Y35-F186 HydrophobicContact CD1-CE1 4.19Å; Y35-F186 HydrophobicContact CD2-CE1 4.48Å; Y35-F186 HydrophobicContact CD2-CZ 4.31Å; Y35-F186 AromaticContact CE1-CE1 3.73Å; Y35-F186 HydrophobicContact CE1-CE1 3.73Å; Y35-F186 HydrophobicContact CE1-CZ 4.11Å; Y35-F186 HydrophobicContact CE2-CE1 4.04Å; Y35-F186 AromaticContact CE2-CZ 3.63Å; Y35-F186 HydrophobicContact CE2-CZ 3.63Å; Y35-F186 AromaticContact CZ-CE1 3.64Å; Y35-F186 AromaticContact CZ-CZ 3.51Å; A91-F186 HydrophobicContact CB-CD1 3.92Å; A91-F186 HydrophobicContact CB-CE1 3.62Å; L94-F186 HydrophobicContact CD1-CD1 4.44Å; L94-F186 HydrophobicContact CD1-CE1 4.37Å; F184-F186 AromaticContact CE1-CD1 3.95Å; F184-F186 HydrophobicContact CE1-CD1 3.95Å; F184-F186 AromaticContact CE1-CE1 3.9Å; F184-F186 HydrophobicContact CE1-CE1 3.9Å; F184-F186 HydrophobicContact CE1-CG 4.43Å; F184-F186 HydrophobicContact CE1-CZ 4.34Å; F184-F186 HydrophobicContact CZ-CD1 4.03Å; F184-F186 HydrophobicContact CZ-CE1 4.31Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 3.4Å; F186-M190 HydrophobicContact CD1-CE 3.81Å; F186-M190 HydrophobicContact CD2-CE 3.71Å; F186-M190 HydrophobicContact CE1-CE 3.74Å; F186-M190 HydrophobicContact CE2-CE 3.63Å; F186-M190 HydrophobicContact CG-CE 3.8Å; F186-M190 HydrophobicContact CZ-CE 3.65Å; F186-K208 WeakPolarHBondContact CD2-O 3.44Å; F186-I210 HydrophobicContact CD2-CG1 4.3Å; F186-I210 HydrophobicContact CE2-CD1 4.48Å; F186-I210 HydrophobicContact CE2-CG1 3.58Å; F186-I210 HydrophobicContact CZ-CG1 4.18Å; F186-I213 HydrophobicContact CD2-CD1 3.91Å; F186-I213 HydrophobicContact CE2-CD1 3.63Å
187P89.7Confident88.9Confident59 Ų5954.3 Ų54.338%0.38329%0.292SS..SBendtrans-88.82.9-177.138.4-34.5000112.7Y3 L94 Q185Y3-P187 HydrophobicContact CD1-CG 4.37Å; Y3-P187 HydrophobicContact CD2-CB 4Å; Y3-P187 HydrophobicContact CD2-CG 3.41Å; Y3-P187 VanDerWaalsContact CD2-CG 3.41Å; Y3-P187 HydrophobicContact CE2-CG 3.91Å; Y3-P187 HydrophobicContact CG-CB 4.15Å; Y3-P187 HydrophobicContact CG-CG 3.68Å; L94-P187 HydrophobicContact CD2-CG 3.88Å; Q185-P187 VanDerWaalsContact O-CD 3.25Å; Q185-P187 WeakPolarHBondContact O-CD 3.42Å
188L89.6Confident87.5Confident46 Ų4653.7 Ų53.724%0.24130%0.304CS..SBendtrans-130.6142.4179.7-63.2176.2000109.1Y3 G93 N121 F186Y3-L188 HydrophobicContact CD1-CD1 3.99Å; Y3-L188 HydrophobicContact CD1-CD2 4.38Å; Y3-L188 HydrophobicContact CD1-CG 4.16Å; Y3-L188 HydrophobicContact CE1-CD1 4.36Å; G93-L188 VanDerWaalsContact O-CD1 3.24Å; G93-L188 WeakPolarHBondContact O-CD1 3.44Å; N121-L188 WeakPolarHBondContact ND2-CB 3.16Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 3.4Å
189P86.6Confident85.9Confident79 Ų7958 Ų5851%0.51332%0.322SS..  trans-70.3156.6-179.130.4-36.1000112.3N121 P191N121-P189 PolarHBondContact ND2-O 3.31Å; P189-P191 WeakPolarHBondContact O-CD 3.38Å
190M90.6Very high84Confident15 Ų1559.5 Ų59.57%0.07433%0.334CS..  trans-104.194.1169.1-66.4172.7179.200108.5A91 Y119 A120 F186 N192 L193 A194 I213A91-M190 HydrophobicContact CB-CE 4.41Å; Y119-M190 HydrophobicContact CD1-SD 4.17Å; Y119-M190 HydrophobicContact CG-SD 4.23Å; A120-M190 WeakPolarHBondContact O-CA 3.24Å; F186-M190 HydrophobicContact CD1-CE 3.81Å; F186-M190 HydrophobicContact CD2-CE 3.71Å; F186-M190 HydrophobicContact CE1-CE 3.74Å; F186-M190 HydrophobicContact CE2-CE 3.63Å; F186-M190 HydrophobicContact CG-CE 3.8Å; F186-M190 HydrophobicContact CZ-CE 3.65Å; M190-N192 PolarHBondContact O-N 2.82Å; M190-L193 HydrophobicContact CB-CB 4.44Å; M190-L193 HydrophobicContact CB-CD1 4.17Å; M190-L193 HydrophobicContact CB-CG 4.1Å; M190-L193 PolarHBondContact O-N 3.2Å; M190-L193 HydrophobicContact SD-CD1 3.98Å; M190-A194 PolarHBondContact O-N 3.43Å; M190-A194 VanDerWaalsContact O-N 3.14Å; M190-I213 HydrophobicContact CE-CD1 3.81Å; M190-I213 HydrophobicContact SD-CD1 3.8Å
191P90.3Very high81.9Confident32 Ų3260.2 Ų60.221%0.20835%0.353CS..Hα-helixtrans-66.1-25.5-168.528.6-37.5000112.9A120 N121 T123 P189 L193 A194 A195A120-P191 WeakPolarHBondContact O-CD 3.27Å; N121-P191 WeakPolarHBondContact O-CD 3.37Å; N121-P191 WeakPolarHBondContact O-CG 3.39Å; T123-P191 HydrophobicContact CG2-CB 3.92Å; T123-P191 HydrophobicContact CG2-CG 3.99Å; P189-P191 WeakPolarHBondContact O-CD 3.38Å; P191-L193 PolarHBondContact O-N 3.34Å; P191-A194 PolarHBondContact O-N 3.08Å; P191-A195 VanDerWaalsContact O-CB 3.24Å; P191-A195 WeakPolarHBondContact O-CB 3.21Å; P191-A195 PolarHBondContact O-N 2.85Å
192N90.1Very high79.5Confident0 Ų059.4 Ų59.40%035%0.352CS..Hα-helixtrans-60.5-31.5172.2-72.7-20.6000112.9S117 T118 T123 I124 I152 M190S117-N192 PolarHBondContact O-ND2 2.94Å; T118-N192 WeakPolarHBondContact O-CB 3.33Å; T123-N192 WeakPolarHBondContact CA-OD1 3.26Å; I124-N192 PolarHBondContact N-OD1 2.91Å; I152-N192 HydrophobicContact CD1-CB 4Å; M190-N192 PolarHBondContact O-N 2.82Å
193L86Confident77.1Confident21 Ų2160.3 Ų60.311%0.1137%0.368CS..Hα-helixtrans-83.3-41.3172.4-56-173000112.1T118 Y119 F148 M190 P191 A195 Y196 S197T118-L193 HydrophobicContact CG2-CD2 4.12Å; Y119-L193 HydrophobicContact CD1-CD1 3.94Å; Y119-L193 HydrophobicContact CD1-CD2 4.08Å; Y119-L193 HydrophobicContact CD1-CG 4.26Å; Y119-L193 HydrophobicContact CE1-CD1 4.12Å; Y119-L193 HydrophobicContact CE1-CD2 4Å; F148-L193 HydrophobicContact CE2-CD2 3.76Å; F148-L193 HydrophobicContact CZ-CD2 3.56Å; M190-L193 HydrophobicContact CB-CB 4.44Å; M190-L193 HydrophobicContact CB-CD1 4.17Å; M190-L193 HydrophobicContact CB-CG 4.1Å; M190-L193 PolarHBondContact O-N 3.2Å; M190-L193 HydrophobicContact SD-CD1 3.98Å; P191-L193 PolarHBondContact O-N 3.34Å; L193-A195 VanDerWaalsContact C-N 3.3Å; L193-A195 PolarHBondContact O-N 3.14Å; L193-Y196 PolarHBondContact O-N 2.65Å; L193-S197 PolarHBondContact O-N 2.94Å; L193-S197 VanDerWaalsContact O-N 3.15Å; L193-S197 PolarHBondContact O-OG 3.28Å; L193-S197 VanDerWaalsContact O-OG 3.05Å
194A83Confident74.8Confident47 Ų4758.7 Ų58.739%0.38837%0.369SS..Hα-helixtrans-62.8-37.5-179.800000111.9M190 P191 Y196 S197 A198M190-A194 PolarHBondContact O-N 3.43Å; M190-A194 VanDerWaalsContact O-N 3.14Å; P191-A194 PolarHBondContact O-N 3.08Å; A194-Y196 PolarHBondContact O-N 2.59Å; A194-S197 PolarHBondContact O-N 2.83Å; A194-S197 VanDerWaalsContact O-N 3.14Å; A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 3.2Å
195A80.5Confident72.6Confident34 Ų3460.8 Ų60.828%0.28140%0.396SS..Hα-helixtrans-61.6-29.1177.200000113.3F151 P191 L193F151-A195 HydrophobicContact CE1-CB 4.21Å; F151-A195 HydrophobicContact CZ-CB 3.97Å; P191-A195 VanDerWaalsContact O-CB 3.24Å; P191-A195 WeakPolarHBondContact O-CB 3.21Å; P191-A195 PolarHBondContact O-N 2.85Å; L193-A195 VanDerWaalsContact C-N 3.3Å; L193-A195 PolarHBondContact O-N 3.14Å
196Y78.6Confident70.7Confident44 Ų4461.7 Ų61.717%0.17340%0.4CS..Hα-helixtrans-78.7-45170.7-171.2-106.2000111.7D145 G147 F148 F151 L193 A194 A198 K199 S200D145-Y196 PolarHBondContact OD1-OH 2.95Å; D145-Y196 WeakPolarHBondContact OD2-CE1 3.44Å; D145-Y196 PolarHBondContact OD2-OH 2.76Å; G147-Y196 WeakPolarHBondContact O-CE2 3.39Å; F148-Y196 HydrophobicContact CB-CD1 4.09Å; F148-Y196 HydrophobicContact CB-CD2 4.45Å; F148-Y196 HydrophobicContact CB-CE1 3.96Å; F148-Y196 HydrophobicContact CB-CE2 4.32Å; F148-Y196 HydrophobicContact CB-CG 4.33Å; F148-Y196 AromaticContact CD2-CD1 3.84Å; F148-Y196 HydrophobicContact CD2-CD1 3.84Å; F148-Y196 HydrophobicContact CD2-CD2 4.26Å; F148-Y196 AromaticContact CD2-CG 3.66Å; F148-Y196 HydrophobicContact CD2-CG 3.66Å; F148-Y196 HydrophobicContact CG-CD1 4.46Å; F148-Y196 HydrophobicContact CG-CG 4.48Å; F148-Y196 PolarHBondContact N-OH 3.12Å; F151-Y196 HydrophobicContact CB-CD2 3.79Å; F151-Y196 HydrophobicContact CB-CE2 3.99Å; F151-Y196 AromaticContact CD1-CD2 3.47Å; F151-Y196 HydrophobicContact CD1-CD2 3.47Å; F151-Y196 VanDerWaalsContact CD1-CD2 3.47Å; F151-Y196 HydrophobicContact CD1-CE2 4.48Å; F151-Y196 HydrophobicContact CD1-CG 4.08Å; F151-Y196 HydrophobicContact CD2-CD2 4.47Å; F151-Y196 HydrophobicContact CE1-CD2 4.09Å; F151-Y196 HydrophobicContact CE1-CG 4.41Å; F151-Y196 AromaticContact CG-CD2 3.66Å; F151-Y196 HydrophobicContact CG-CD2 3.66Å; F151-Y196 HydrophobicContact CG-CE2 4.32Å; L193-Y196 PolarHBondContact O-N 2.65Å; A194-Y196 PolarHBondContact O-N 2.59Å; Y196-A198 PolarHBondContact O-N 2.92Å; Y196-K199 CarbonylContact O-C 3.3Å; Y196-K199 WeakPolarHBondContact O-CA 3.46Å; Y196-K199 WeakPolarHBondContact O-CB 3.47Å; Y196-K199 PolarHBondContact O-N 3.11Å; Y196-S200 PolarHBondContact O-N 3.45Å; Y196-S200 PolarHBondContact O-OG 2.99Å
197S74Confident68.8Low21 Ų2163 Ų6315%0.14742%0.418CS..Hα-helixtrans-58.6-34.6-179.8-50.20000112.6L193 A194 S200 A201 S202L193-S197 PolarHBondContact O-N 2.94Å; L193-S197 VanDerWaalsContact O-N 3.15Å; L193-S197 PolarHBondContact O-OG 3.28Å; L193-S197 VanDerWaalsContact O-OG 3.05Å; A194-S197 PolarHBondContact O-N 2.83Å; A194-S197 VanDerWaalsContact O-N 3.14Å; S197-S200 WeakPolarHBondContact CA-OG 3.17Å; S197-S200 PolarHBondContact O-OG 3.09Å; S197-A201 PolarHBondContact O-N 2.83Å; S197-S202 PolarHBondContact O-N 3.3Å; S197-S202 VanDerWaalsContact O-N 3.14Å
198A66.8Low67.6Low86 Ų8664.4 Ų64.471%0.71142%0.418SS*.Hα-helixtrans-71.3-30.6172.600000113.3A194 Y196A194-A198 WeakPolarHBondContact O-CB 3.46Å; A194-A198 PolarHBondContact O-N 3.2Å; Y196-A198 PolarHBondContact O-N 2.92Å
199K59.9Low66.4Low133 Ų13363 Ų6358%0.57841%0.414SS*.Hα-helixtrans-77.5-29.2174.5-171.9-179.9177.9-176.40112.2F151 Y196F151-K199 HydrophobicContact CD2-CD 3.75Å; F151-K199 HydrophobicContact CE2-CD 3.75Å; Y196-K199 CarbonylContact O-C 3.3Å; Y196-K199 WeakPolarHBondContact O-CA 3.46Å; Y196-K199 WeakPolarHBondContact O-CB 3.47Å; Y196-K199 PolarHBondContact O-N 3.11Å
200S53.3Low65.8Low46 Ų4660.9 Ų60.932%0.32240%0.398SS..THydrogen-bonded Turntrans-93.83.7179.9650000114.7Y196 S197 S202Y196-S200 PolarHBondContact O-N 3.45Å; Y196-S200 PolarHBondContact O-OG 2.99Å; S197-S200 WeakPolarHBondContact CA-OG 3.17Å; S197-S200 PolarHBondContact O-OG 3.09Å; S200-S202 PolarHBondContact O-N 2.88Å; S200-S202 PolarHBondContact OG-OG 3.13Å
201A49.3Very low64.9Low103 Ų10363.9 Ų63.985%0.85143%0.425SS*.THydrogen-bonded Turntrans56.431.1-179.300000114.8S197S197-A201 PolarHBondContact O-N 2.83Å
202S45.5Very low64.2Low88 Ų8867.7 Ų67.762%0.61544%0.441SS*.  trans-137.938.8-168.771.50000113.4S197 S200S197-S202 PolarHBondContact O-N 3.3Å; S197-S202 VanDerWaalsContact O-N 3.14Å; S200-S202 PolarHBondContact O-N 2.88Å; S200-S202 PolarHBondContact OG-OG 3.13Å
203G42.9Very low63.7Low51 Ų5168.2 Ų68.253%0.52644%0.443SS..  trans-134.5134.8-179.600000113.1
204D44.1Very low63.5Low150 Ų15068.6 Ų68.680%0.80244%0.443SS*.  trans-91.7-28.5173.642.724.5000112.7
205G44.8Very low63.5Low63 Ų6369.3 Ų69.365%0.64945%0.449SS*.  trans98.57.7171.700000115.2
206E48.6Very low63.7Low164 Ų16469.8 Ų69.877%0.76645%0.453SS*.PPolyproline II helixtrans-77.9164.1175.5-60.9-158.3155.300112.7
207G50.9Low64.2Low42 Ų4267.8 Ų67.843%0.43345%0.446SS..PPolyproline II helixtrans-75.1122.8179.400000111.6
208K64Low65.1Low88 Ų8868.4 Ų68.438%0.38345%0.446SS..PPolyproline II helixtrans-70.4145.1-177.1-66.7-164.2175.3-1690113.2F186 E212 I213F186-K208 WeakPolarHBondContact CD2-O 3.44Å; K208-E212 VanDerWaalsContact CA-OE2 3.26Å; K208-E212 WeakPolarHBondContact CA-OE2 3.33Å; K208-E212 HydrophobicContact CB-CB 4.5Å; K208-E212 WeakPolarHBondContact CB-OE2 3.49Å; K208-I213 HydrophobicContact CB-CD1 4.37Å; K208-I213 HydrophobicContact CB-CG1 4.05Å
209G65.4Low66.3Low16 Ų1667.6 Ų67.617%0.16543%0.427CS..PPolyproline II helixtrans-72.2151.8168.500000112.3A211 E212 I213G209-A211 PolarHBondContact O-N 3.34Å; G209-E212 PolarHBondContact N-OE2 3.46Å; G209-E212 WeakPolarHBondContact O-CB 3.35Å; G209-E212 PolarHBondContact O-N 2.84Å; G209-I213 PolarHBondContact O-N 2.85Å
210I73.4Confident67.9Low34 Ų3463.9 Ų63.917%0.17443%0.427CS..Hα-helixtrans-52.6-42.5176.3-70.7170.8000111.4Y35 D179 F184 F186 E212 I213 Y214Y35-I210 HydrophobicContact CD2-CD1 4.16Å; Y35-I210 HydrophobicContact CE2-CD1 4.35Å; D179-I210 HydrophobicContact CB-CD1 4.4Å; F184-I210 HydrophobicContact CD1-CD1 3.99Å; F186-I210 HydrophobicContact CD2-CG1 4.3Å; F186-I210 HydrophobicContact CE2-CD1 4.48Å; F186-I210 HydrophobicContact CE2-CG1 3.58Å; F186-I210 HydrophobicContact CZ-CG1 4.18Å; I210-E212 VanDerWaalsContact C-N 3.32Å; I210-E212 PolarHBondContact O-N 3.15Å; I210-I213 PolarHBondContact O-N 3.06Å; I210-Y214 HydrophobicContact CG2-CD2 3.84Å; I210-Y214 HydrophobicContact CG2-CE2 3.8Å; I210-Y214 VanDerWaalsContact O-CD2 3.3Å; I210-Y214 WeakPolarHBondContact O-CD2 3.25Å; I210-Y214 PolarHBondContact O-N 2.83Å
211A72.1Confident69.9Low79 Ų7963.9 Ų63.965%0.65342%0.423SS*.Hα-helixtrans-62.7-34.4178.900000113.4G209 A215G209-A211 PolarHBondContact O-N 3.34Å; A211-A215 VanDerWaalsContact O-CB 3.25Å; A211-A215 WeakPolarHBondContact O-CB 3.2Å; A211-A215 PolarHBondContact O-N 3.06Å
212E75Confident72.1Confident112 Ų11262.2 Ų62.252%0.52340%0.402SS..Hα-helixtrans-73.5-35.4-179.2-58.6171.316200111.6K208 G209 I210 A215 A216K208-E212 VanDerWaalsContact CA-OE2 3.26Å; K208-E212 WeakPolarHBondContact CA-OE2 3.33Å; K208-E212 HydrophobicContact CB-CB 4.5Å; K208-E212 WeakPolarHBondContact CB-OE2 3.49Å; G209-E212 PolarHBondContact N-OE2 3.46Å; G209-E212 WeakPolarHBondContact O-CB 3.35Å; G209-E212 PolarHBondContact O-N 2.84Å; I210-E212 VanDerWaalsContact C-N 3.32Å; I210-E212 PolarHBondContact O-N 3.15Å; E212-A215 PolarHBondContact O-N 2.93Å; E212-A216 PolarHBondContact O-N 2.82Å
213I80.1Confident74.6Confident10 Ų1060.3 Ų60.35%0.05139%0.388CS..Hα-helixtrans-63.1-50.2174.9-65.6168.2000109.8Y119 F186 M190 K208 G209 I210 A215 A216 A217Y119-I213 HydrophobicContact CD1-CG2 4.12Å; Y119-I213 HydrophobicContact CD2-CG2 4.09Å; Y119-I213 HydrophobicContact CE1-CG2 3.6Å; Y119-I213 HydrophobicContact CE2-CG2 3.55Å; Y119-I213 HydrophobicContact CG-CG2 4.36Å; F186-I213 HydrophobicContact CD2-CD1 3.91Å; F186-I213 HydrophobicContact CE2-CD1 3.63Å; M190-I213 HydrophobicContact CE-CD1 3.81Å; M190-I213 HydrophobicContact SD-CD1 3.8Å; K208-I213 HydrophobicContact CB-CD1 4.37Å; K208-I213 HydrophobicContact CB-CG1 4.05Å; G209-I213 PolarHBondContact O-N 2.85Å; I210-I213 PolarHBondContact O-N 3.06Å; I213-A215 PolarHBondContact O-N 3.15Å; I213-A216 PolarHBondContact O-N 3.36Å; I213-A217 PolarHBondContact O-N 3.49Å
214Y80.8Confident77.1Confident29 Ų2963.5 Ų63.511%0.11439%0.389CS..Hα-helixtrans-71.1-27.3176.8-72.4-71000113.5S170 L172 G173 R176 I210 A216 A217 Q219S170-Y214 PolarHBondContact OG-OH 3.4Å; L172-Y214 VanDerWaalsContact O-CE1 3.3Å; L172-Y214 WeakPolarHBondContact O-CE1 3.39Å; G173-Y214 VanDerWaalsContact CA-CE2 3.42Å; G173-Y214 VanDerWaalsContact CA-CZ 3.49Å; G173-Y214 VanDerWaalsContact N-CD1 3.3Å; R176-Y214 PolarHBondContact NH2-OH 3.24Å; R176-Y214 VanDerWaalsContact NH2-OH 3.1Å; I210-Y214 HydrophobicContact CG2-CD2 3.84Å; I210-Y214 HydrophobicContact CG2-CE2 3.8Å; I210-Y214 VanDerWaalsContact O-CD2 3.3Å; I210-Y214 WeakPolarHBondContact O-CD2 3.25Å; I210-Y214 PolarHBondContact O-N 2.83Å; Y214-A216 VanDerWaalsContact C-N 3.29Å; Y214-A216 PolarHBondContact O-N 3.05Å; Y214-A217 WeakPolarHBondContact O-CB 3.38Å; Y214-A217 PolarHBondContact O-N 3.36Å; Y214-Q219 PolarHBondContact O-NE2 3.2Å
215A83.1Confident79.7Confident62 Ų6256.3 Ų56.351%0.51235%0.351SS..Hα-helixtrans-62.9-35.8172.300000112.3K144 A211 E212 I213K144-A215 PolarHBondContact NZ-O 3.32Å; A211-A215 VanDerWaalsContact O-CB 3.25Å; A211-A215 WeakPolarHBondContact O-CB 3.2Å; A211-A215 PolarHBondContact O-N 3.06Å; E212-A215 PolarHBondContact O-N 2.93Å; I213-A215 PolarHBondContact O-N 3.15Å
216A85Confident82.2Confident44 Ų4453.7 Ų53.736%0.36432%0.322SS..Hα-helixtrans-76.7-28.5174.800000113.6S143 K144 E212 I213 Y214S143-A216 PolarHBondContact OG-O 3.42Å; K144-A216 PolarHBondContact N-O 2.87Å; E212-A216 PolarHBondContact O-N 2.82Å; I213-A216 PolarHBondContact O-N 3.36Å; Y214-A216 VanDerWaalsContact C-N 3.29Å; Y214-A216 PolarHBondContact O-N 3.05Å
217A89.3Confident84.5Confident3 Ų351.6 Ų51.63%0.02531%0.31CS..BIsolated β-bridgetrans-59.9150.7178.500000112.8M142 K144 I213 Y214 Q219M142-A217 CarbonylContact O-C 3.49Å; M142-A217 WeakPolarHBondContact O-CA 3.23Å; K144-A217 WeakPolarHBondContact CE-O 3.32Å; K144-A217 PolarHBondContact NZ-O 3.02Å; I213-A217 PolarHBondContact O-N 3.49Å; Y214-A217 WeakPolarHBondContact O-CB 3.38Å; Y214-A217 PolarHBondContact O-N 3.36Å; A217-Q219 PolarHBondContact O-NE2 2.96Å; A217-Q219 PolarHBondContact O-OE1 3.17Å; A217-Q219 VanDerWaalsContact O-OE1 3.13Å
218K93.6Very high86.7Confident33 Ų3353.5 Ų53.514%0.14331%0.306CS..  trans-87.7107.4179.1171.1163142.764.90110.5M142 K144 T171 G220 L221 D225M142-K218 HydrophobicContact CB-CB 4.18Å; M142-K218 HydrophobicContact CB-CD 4.38Å; M142-K218 HydrophobicContact CE-CD 4.32Å; M142-K218 WeakPolarHBondContact O-CB 3.47Å; M142-K218 PolarHBondContact O-N 2.76Å; K144-K218 HydrophobicContact CG-CB 4.43Å; T171-K218 WeakPolarHBondContact CG2-O 3.35Å; K218-G220 PolarHBondContact NZ-O 3.17Å; K218-L221 HydrophobicContact CD-CD2 4.47Å; K218-L221 HydrophobicContact CG-CD2 4.22Å; K218-D225 VanDerWaalsContact CE-OD1 3.23Å; K218-D225 WeakPolarHBondContact CE-OD1 3.22Å; K218-D225 WeakPolarHBondContact CE-OD2 3.22Å; K218-D225 VanDerWaalsContact NZ-CG 3.28Å; K218-D225 IonicContact NZ-OD1 2.77Å; K218-D225 PolarHBondContact NZ-OD1 3.01Å; K218-D225 IonicContact NZ-OD2 3.67Å; K218-D225 PolarHBondContact NZ-OD2 3.03Å
219Q91.6Very high88.3Confident69 Ų6949.4 Ų49.432%0.32229%0.288SS..SBendtrans-72.2-45.7178.5-73.372.544.200113.1T171 L172 Y214 A217 L221T171-Q219 PolarHBondContact O-NE2 2.9Å; L172-Q219 HydrophobicContact CD2-CG 3.73Å; L172-Q219 HydrophobicContact CG-CG 4.18Å; Y214-Q219 PolarHBondContact O-NE2 3.2Å; A217-Q219 PolarHBondContact O-NE2 2.96Å; A217-Q219 PolarHBondContact O-OE1 3.17Å; A217-Q219 VanDerWaalsContact O-OE1 3.13Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; Q219-L221 PolarHBondContact O-N 2.91Å
220G93.2Very high89.8Confident55 Ų5551.2 Ų51.257%0.56729%0.292SS*.  trans-79.777.9174.700000111.2K218K218-G220 PolarHBondContact NZ-O 3.17Å
221L95.1Very high91Very high46 Ų4654.8 Ų54.824%0.24131%0.311CS..  trans-75.2141.3162.5-69.9175000109.5M142 L166 A168 T171 K218 Q219 D225M142-L221 HydrophobicContact CB-CD2 4.09Å; M142-L221 HydrophobicContact CG-CD2 4.2Å; M142-L221 HydrophobicContact SD-CD2 3.58Å; M142-L221 VanDerWaalsContact SD-CD2 3.58Å; L166-L221 HydrophobicContact CD1-CD2 4.43Å; A168-L221 HydrophobicContact CB-CD1 4.15Å; T171-L221 HydrophobicContact CG2-CD1 3.5Å; T171-L221 VanDerWaalsContact CG2-CD1 3.5Å; T171-L221 HydrophobicContact CG2-CG 3.96Å; K218-L221 HydrophobicContact CD-CD2 4.47Å; K218-L221 HydrophobicContact CG-CD2 4.22Å; Q219-L221 VanDerWaalsContact C-N 3.32Å; Q219-L221 PolarHBondContact O-N 2.91Å; L221-D225 WeakPolarHBondContact CA-OD2 3.32Å
222V96.3Very high92.1Very high69 Ų6955.5 Ų55.542%0.41830%0.304SS..  trans-137.2159.8177.9-64.90000110.2E224 D225V222-E224 WeakPolarHBondContact CB-OE2 3.34Å; V222-E224 HydrophobicContact CG2-CB 4.37Å; V222-E224 VanDerWaalsContact CG2-OE2 3.26Å; V222-E224 WeakPolarHBondContact CG2-OE2 3.42Å; V222-E224 PolarHBondContact O-N 2.67Å; V222-E224 VanDerWaalsContact O-N 3.14Å; V222-D225 WeakPolarHBondContact CG2-OD2 3.48Å; V222-D225 PolarHBondContact N-OD2 3.15Å; V222-D225 VanDerWaalsContact O-CB 3.28Å; V222-D225 WeakPolarHBondContact O-CB 3.28Å; V222-D225 PolarHBondContact O-N 3.02Å
223P96.5Very high93.2Very high48 Ų4850.7 Ų50.731%0.31228%0.282SS..THydrogen-bonded Turntrans-59.7-30.6-173.3-22.334.2000113.2D225 I226 V250 A254P223-D225 PolarHBondContact O-N 2.63Å; P223-D225 VanDerWaalsContact O-N 3.15Å; P223-I226 WeakPolarHBondContact O-CB 3.46Å; P223-I226 PolarHBondContact O-N 3.28Å; P223-I226 VanDerWaalsContact O-N 3.1Å; P223-V250 HydrophobicContact CB-CG1 3.98Å; P223-V250 HydrophobicContact CG-CG1 3.47Å; P223-V250 VanDerWaalsContact CG-CG1 3.47Å; P223-A254 HydrophobicContact CB-CB 3.7Å; P223-A254 WeakPolarHBondContact O-CB 3.25Å
224E97.4Very high94Very high117 Ų11755.8 Ų55.855%0.54732%0.319SS..Hα-helixtrans-60.6-23.4175.3-61.972.7-160.300113.2V222 I226 K227 K228V222-E224 WeakPolarHBondContact CB-OE2 3.34Å; V222-E224 HydrophobicContact CG2-CB 4.37Å; V222-E224 VanDerWaalsContact CG2-OE2 3.26Å; V222-E224 WeakPolarHBondContact CG2-OE2 3.42Å; V222-E224 PolarHBondContact O-N 2.67Å; V222-E224 VanDerWaalsContact O-N 3.14Å; E224-I226 VanDerWaalsContact C-N 3.29Å; E224-I226 PolarHBondContact O-N 2.84Å; E224-K227 PolarHBondContact O-N 3.45Å; E224-K228 WeakPolarHBondContact O-CG 3.45Å; E224-K228 PolarHBondContact O-N 2.65Å
225D97.5Very high94.9Very high0 Ų056 Ų560%032%0.321CS..Hα-helixtrans-67.3-30.4177-64.2-46.7000112.2M142 K218 L221 V222 P223 K227 K228 I229M142-D225 HydrophobicContact CE-CB 4.03Å; M142-D225 HydrophobicContact SD-CB 3.76Å; K218-D225 VanDerWaalsContact CE-OD1 3.23Å; K218-D225 WeakPolarHBondContact CE-OD1 3.22Å; K218-D225 WeakPolarHBondContact CE-OD2 3.22Å; K218-D225 VanDerWaalsContact NZ-CG 3.28Å; K218-D225 IonicContact NZ-OD1 2.77Å; K218-D225 PolarHBondContact NZ-OD1 3.01Å; K218-D225 IonicContact NZ-OD2 3.67Å; K218-D225 PolarHBondContact NZ-OD2 3.03Å; L221-D225 WeakPolarHBondContact CA-OD2 3.32Å; V222-D225 WeakPolarHBondContact CG2-OD2 3.48Å; V222-D225 PolarHBondContact N-OD2 3.15Å; V222-D225 VanDerWaalsContact O-CB 3.28Å; V222-D225 WeakPolarHBondContact O-CB 3.28Å; V222-D225 PolarHBondContact O-N 3.02Å; P223-D225 PolarHBondContact O-N 2.63Å; P223-D225 VanDerWaalsContact O-N 3.15Å; D225-K227 VanDerWaalsContact C-N 3.34Å; D225-K228 PolarHBondContact O-N 2.88Å; D225-K228 WeakPolarHBondContact OD1-CE 3.38Å; D225-K228 IonicContact OD1-NZ 3.5Å; D225-K228 PolarHBondContact OD1-NZ 3.3Å; D225-I229 WeakPolarHBondContact O-CD1 3.31Å; D225-I229 WeakPolarHBondContact O-CG1 3.48Å; D225-I229 PolarHBondContact O-N 3.4Å
226I98.1Very high95.6Very high8 Ų854.7 Ų54.74%0.04131%0.307CS..Hα-helixtrans-59.9-48.8171.6-61.3162.1000109.1L166 P223 E224 K228 I229 K230 V237 V239 A251 A254 A256L166-I226 HydrophobicContact CD2-CG1 3.78Å; P223-I226 WeakPolarHBondContact O-CB 3.46Å; P223-I226 PolarHBondContact O-N 3.28Å; P223-I226 VanDerWaalsContact O-N 3.1Å; E224-I226 VanDerWaalsContact C-N 3.29Å; E224-I226 PolarHBondContact O-N 2.84Å; I226-K228 PolarHBondContact O-N 2.89Å; I226-I229 PolarHBondContact O-N 2.93Å; I226-K230 PolarHBondContact O-N 3.22Å; I226-V237 HydrophobicContact CG2-CG1 4.17Å; I226-V239 HydrophobicContact CD1-CG2 3.73Å; I226-V239 HydrophobicContact CG1-CG2 3.86Å; I226-A251 HydrophobicContact CD1-CB 4.13Å; I226-A254 HydrophobicContact CB-CB 4.38Å; I226-A254 HydrophobicContact CD1-CB 3.83Å; I226-A256 HydrophobicContact CG2-CB 4.1Å
227K96.2Very high96.3Very high120 Ų12052.6 Ų52.652%0.52229%0.29SS..Hα-helixtrans-62.1-43.7178.4-167.5-164.6171.3-161.40111.8E224 D225 I229 K230 D231E224-K227 PolarHBondContact O-N 3.45Å; D225-K227 VanDerWaalsContact C-N 3.34Å; K227-I229 VanDerWaalsContact C-N 3.25Å; K227-I229 PolarHBondContact O-N 2.94Å; K227-K230 WeakPolarHBondContact O-CB 3.46Å; K227-K230 PolarHBondContact O-N 3.2Å; K227-D231 VanDerWaalsContact CE-OD2 3.26Å; K227-D231 WeakPolarHBondContact CE-OD2 3.5Å; K227-D231 IonicContact NZ-OD2 3.72Å; K227-D231 PolarHBondContact O-N 2.83Å
228K96.9Very high96.7Very high81 Ų8152.4 Ų52.435%0.35229%0.289SS..Hα-helixtrans-55.5-40.4176.7-68.3172.1-160.1167.70112.3E224 D225 I226 D231 L232E224-K228 WeakPolarHBondContact O-CG 3.45Å; E224-K228 PolarHBondContact O-N 2.65Å; D225-K228 PolarHBondContact O-N 2.88Å; D225-K228 WeakPolarHBondContact OD1-CE 3.38Å; D225-K228 IonicContact OD1-NZ 3.5Å; D225-K228 PolarHBondContact OD1-NZ 3.3Å; I226-K228 PolarHBondContact O-N 2.89Å; K228-D231 PolarHBondContact O-N 3.24Å; K228-L232 VanDerWaalsContact O-CB 3.32Å; K228-L232 WeakPolarHBondContact O-CB 3.28Å; K228-L232 VanDerWaalsContact O-CG 3.24Å; K228-L232 WeakPolarHBondContact O-CG 3.45Å; K228-L232 PolarHBondContact O-N 2.86Å
229I98.2Very high97Very high2 Ų251.1 Ų51.11%0.0128%0.284CS..Hα-helixtrans-65.8-41.5178.3-63.9161000110.5L140 M142 L153 I164 L166 D225 I226 K227 L232 T233 V237L140-I229 HydrophobicContact CD2-CD1 3.68Å; L140-I229 HydrophobicContact CD2-CG1 3.87Å; M142-I229 HydrophobicContact SD-CD1 4.22Å; L153-I229 HydrophobicContact CD1-CB 4.5Å; L153-I229 HydrophobicContact CD1-CG1 4.26Å; L153-I229 HydrophobicContact CD1-CG2 4.19Å; L153-I229 HydrophobicContact CD2-CG2 4.3Å; I164-I229 HydrophobicContact CB-CG2 3.92Å; I164-I229 HydrophobicContact CG1-CG2 3.99Å; I164-I229 HydrophobicContact CG2-CG2 3.74Å; L166-I229 HydrophobicContact CB-CD1 4.02Å; L166-I229 HydrophobicContact CD1-CD1 3.91Å; L166-I229 HydrophobicContact CD2-CD1 3.98Å; L166-I229 HydrophobicContact CG-CD1 4.17Å; D225-I229 WeakPolarHBondContact O-CD1 3.31Å; D225-I229 WeakPolarHBondContact O-CG1 3.48Å; D225-I229 PolarHBondContact O-N 3.4Å; I226-I229 PolarHBondContact O-N 2.93Å; K227-I229 VanDerWaalsContact C-N 3.25Å; K227-I229 PolarHBondContact O-N 2.94Å; I229-L232 PolarHBondContact O-N 3.02Å; I229-T233 WeakPolarHBondContact O-CB 3.25Å; I229-T233 WeakPolarHBondContact O-CG2 3.16Å; I229-T233 PolarHBondContact O-N 3.34Å; I229-T233 VanDerWaalsContact O-N 3.1Å; I229-T233 PolarHBondContact O-OG1 2.78Å; I229-V237 HydrophobicContact CB-CG2 4.15Å; I229-V237 HydrophobicContact CG2-CG2 3.61Å
230K97.5Very high97.3Very high55 Ų5548 Ų4824%0.23927%0.269CS..Hα-helixtrans-64.6-47.4174.8-65.8-173.964.2152.80111.9I226 K227 L232 T233 S234 V237 G255 D257I226-K230 PolarHBondContact O-N 3.22Å; K227-K230 WeakPolarHBondContact O-CB 3.46Å; K227-K230 PolarHBondContact O-N 3.2Å; K230-L232 PolarHBondContact O-N 2.94Å; K230-T233 PolarHBondContact O-N 3.21Å; K230-S234 WeakPolarHBondContact O-CA 3.27Å; K230-S234 PolarHBondContact O-N 2.94Å; K230-V237 HydrophobicContact CD-CG2 4.27Å; K230-V237 HydrophobicContact CG-CB 4.2Å; K230-V237 HydrophobicContact CG-CG2 3.48Å; K230-V237 VanDerWaalsContact CG-CG2 3.48Å; K230-G255 WeakPolarHBondContact CD-O 3.48Å; K230-G255 WeakPolarHBondContact CE-O 3.4Å; K230-G255 PolarHBondContact NZ-O 2.98Å; K230-D257 VanDerWaalsContact CE-OD2 3.31Å; K230-D257 WeakPolarHBondContact CE-OD2 3.27Å; K230-D257 IonicContact NZ-OD1 3.61Å; K230-D257 PolarHBondContact NZ-OD1 2.92Å; K230-D257 IonicContact NZ-OD2 2.7Å; K230-D257 PolarHBondContact NZ-OD2 2.89Å
231D96.5Very high97.5Very high109 Ų10946.1 Ų46.158%0.58325%0.25SC*.Hα-helixtrans-60.2-32.3177.4-69.1-14.9000111.9K227 K228K227-D231 VanDerWaalsContact CE-OD2 3.26Å; K227-D231 WeakPolarHBondContact CE-OD2 3.5Å; K227-D231 IonicContact NZ-OD2 3.72Å; K227-D231 PolarHBondContact O-N 2.83Å; K228-D231 PolarHBondContact O-N 3.24Å
232L97.2Very high97.7Very high94 Ų9444.3 Ų44.349%0.49224%0.24SC..Hα-helixtrans-82.7-20.3177.4-75.8171.2000115.2A150 L153 K228 I229 K230A150-L232 HydrophobicContact CB-CD1 4.47Å; A150-L232 HydrophobicContact CB-CD2 4.34Å; L153-L232 HydrophobicContact CD1-CB 4.32Å; L153-L232 HydrophobicContact CD1-CD1 4.06Å; K228-L232 VanDerWaalsContact O-CB 3.32Å; K228-L232 WeakPolarHBondContact O-CB 3.28Å; K228-L232 VanDerWaalsContact O-CG 3.24Å; K228-L232 WeakPolarHBondContact O-CG 3.45Å; K228-L232 PolarHBondContact O-N 2.86Å; I229-L232 PolarHBondContact O-N 3.02Å; K230-L232 PolarHBondContact O-N 2.94Å
233T98Very high97.8Very high11 Ų1142.8 Ų42.87%0.06723%0.228CC..Hα-helixtrans-125.4-27.3-169.860.60000115.4L153 V157 I164 I229 K230 L235L153-T233 HydrophobicContact CB-CG2 3.82Å; L153-T233 HydrophobicContact CD1-CG2 4.22Å; L153-T233 HydrophobicContact CD2-CG2 3.98Å; L153-T233 HydrophobicContact CG-CG2 4.22Å; V157-T233 HydrophobicContact CG2-CG2 3.79Å; I164-T233 HydrophobicContact CD1-CG2 4.38Å; I164-T233 HydrophobicContact CG1-CG2 4.19Å; I229-T233 WeakPolarHBondContact O-CB 3.25Å; I229-T233 WeakPolarHBondContact O-CG2 3.16Å; I229-T233 PolarHBondContact O-N 3.34Å; I229-T233 VanDerWaalsContact O-N 3.1Å; I229-T233 PolarHBondContact O-OG1 2.78Å; K230-T233 PolarHBondContact O-N 3.21Å; T233-L235 PolarHBondContact O-N 3.26Å; T233-L235 PolarHBondContact OG1-N 3.43Å
234S96.9Very high97.8Very high117 Ų11741.8 Ų41.882%0.81822%0.222SC*.  trans55.817.3-164.9-51.40000114.5K230K230-S234 WeakPolarHBondContact O-CA 3.27Å; K230-S234 PolarHBondContact O-N 2.94Å
235L98.2Very high97.6Very high33 Ų3337.4 Ų37.417%0.17320%0.204CC..SBendtrans-96.6154.7178-68.3177.2000111.6V157 A161 I164 T233V157-L235 HydrophobicContact CG2-CD1 3.88Å; V157-L235 HydrophobicContact CG2-CG 4.39Å; A161-L235 HydrophobicContact CB-CD1 4.4Å; A161-L235 VanDerWaalsContact O-CD1 3.28Å; A161-L235 WeakPolarHBondContact O-CD1 2.99Å; A161-L235 WeakPolarHBondContact O-CD2 3.3Å; I164-L235 HydrophobicContact CD1-CD1 3.96Å; I164-L235 HydrophobicContact CG1-CB 4.35Å; I164-L235 HydrophobicContact CG1-CD1 4.28Å; T233-L235 PolarHBondContact O-N 3.26Å; T233-L235 PolarHBondContact OG1-N 3.43Å
236P98.4Very high97.5Very high34 Ų3443.6 Ų43.622%0.22123%0.233CC..  trans-55.9139166.9-24.233.8000112.4W76 K162 A163 I164 D257W76-P236 HydrophobicContact CE3-CB 4.48Å; W76-P236 HydrophobicContact CE3-CG 4.26Å; W76-P236 HydrophobicContact CH2-CB 3.36Å; W76-P236 HydrophobicContact CH2-CG 4.02Å; W76-P236 HydrophobicContact CZ2-CB 3.94Å; W76-P236 HydrophobicContact CZ3-CB 3.68Å; W76-P236 HydrophobicContact CZ3-CG 3.86Å; K162-P236 WeakPolarHBondContact O-CD 3.08Å; A163-P236 CarbonylContact C-O 3.6Å; A163-P236 VanDerWaalsContact CA-O 3.27Å; A163-P236 WeakPolarHBondContact CA-O 3.1Å; A163-P236 HydrophobicContact CB-CB 4.21Å; A163-P236 WeakPolarHBondContact CB-O 3.26Å; I164-P236 PolarHBondContact N-O 3.25Å; P236-D257 WeakPolarHBondContact CA-OD2 3.22Å; P236-D257 HydrophobicContact CB-CB 3.84Å
237V98.8Very high97.5Very high0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-115.3117.7177.5178.50000111.3I164 L166 I226 I229 K230 D257 G258I164-V237 HydrophobicContact CB-CG2 4.37Å; I164-V237 CarbonylContact O-C 3.48Å; I164-V237 WeakPolarHBondContact O-CA 3.4Å; L166-V237 HydrophobicContact CB-CG1 4.3Å; I226-V237 HydrophobicContact CG2-CG1 4.17Å; I229-V237 HydrophobicContact CB-CG2 4.15Å; I229-V237 HydrophobicContact CG2-CG2 3.61Å; K230-V237 HydrophobicContact CD-CG2 4.27Å; K230-V237 HydrophobicContact CG-CB 4.2Å; K230-V237 HydrophobicContact CG-CG2 3.48Å; K230-V237 VanDerWaalsContact CG-CG2 3.48Å; V237-D257 PolarHBondContact N-OD2 2.91Å; V237-D257 PolarHBondContact O-N 3.24Å; V237-G258 PolarHBondContact O-N 3.09Å
238F98.8Very high97.5Very high0 Ų041.7 Ų41.70%023%0.229CC..EExtended strand (participates in β ladder)trans-84.6135.2162.4-79.8-80.9000110.2L75 W76 F137 A163 I164 I165 L166 G258 W260 V293L75-F238 HydrophobicContact CD1-CZ 4.41Å; L75-F238 HydrophobicContact CD2-CE2 4.13Å; L75-F238 HydrophobicContact CD2-CZ 3.92Å; W76-F238 HydrophobicContact CH2-CD2 4.21Å; W76-F238 AromaticContact CH2-CE2 3.4Å; W76-F238 HydrophobicContact CH2-CE2 3.4Å; W76-F238 VanDerWaalsContact CH2-CE2 3.4Å; W76-F238 AromaticContact CH2-CZ 3.8Å; W76-F238 HydrophobicContact CH2-CZ 3.8Å; W76-F238 HydrophobicContact CZ2-CE2 4.16Å; W76-F238 HydrophobicContact CZ2-CZ 4.12Å; W76-F238 HydrophobicContact CZ3-CE2 4.09Å; F137-F238 HydrophobicContact CE2-CD2 4.06Å; F137-F238 AromaticContact CE2-CE2 3.64Å; F137-F238 HydrophobicContact CE2-CE2 3.64Å; F137-F238 AromaticContact CZ-CE2 3.9Å; F137-F238 HydrophobicContact CZ-CE2 3.9Å; A163-F238 HydrophobicContact CB-CD2 4.09Å; A163-F238 HydrophobicContact CB-CE2 4.33Å; I164-F238 PolarHBondContact O-N 3.06Å; I165-F238 CarbonylContact C-O 3.59Å; I165-F238 WeakPolarHBondContact CA-O 3.48Å; I165-F238 HydrophobicContact CG1-CB 4.43Å; I165-F238 HydrophobicContact CG2-CB 4.46Å; L166-F238 PolarHBondContact N-O 3.02Å; F238-G258 WeakPolarHBondContact CA-O 3.4Å; F238-G258 VanDerWaalsContact CD1-C 3.49Å; F238-W260 HydrophobicContact CB-CE3 4.37Å; F238-W260 HydrophobicContact CD1-CB 4.48Å; F238-W260 HydrophobicContact CG-CE3 4.37Å; F238-V293 HydrophobicContact CD1-CG2 4.05Å; F238-V293 HydrophobicContact CE1-CG2 3.55Å; F238-V293 HydrophobicContact CZ-CG2 3.89Å
239V98.8Very high97.4Very high6 Ų641.4 Ų41.44%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-99.9112.4168-173.40000109.4A168 I226 I242 A251 A256 G258 W260A168-V239 HydrophobicContact CB-CG1 4.31Å; I226-V239 HydrophobicContact CD1-CG2 3.73Å; I226-V239 HydrophobicContact CG1-CG2 3.86Å; V239-I242 HydrophobicContact CB-CD1 4.44Å; V239-I242 HydrophobicContact CB-CG1 4.45Å; V239-I242 HydrophobicContact CG1-CD1 3.8Å; V239-I242 HydrophobicContact CG1-CG1 4.19Å; V239-A251 HydrophobicContact CB-CB 4.24Å; V239-A251 HydrophobicContact CG2-CB 4.01Å; V239-A256 HydrophobicContact CG2-CB 3.74Å; V239-G258 PolarHBondContact N-O 2.82Å; V239-G258 VanDerWaalsContact N-O 3.13Å; V239-W260 PolarHBondContact O-N 3.32Å
240K98.7Very high97.4Very high4 Ų444.6 Ų44.62%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-98.9134.1-179.2176.5179.7-174.1-57.30111.7P88 I165 L166 A168 D169 W260 S262 H264 D295P88-K240 HydrophobicContact CG-CD 4.28Å; I165-K240 HydrophobicContact CG2-CB 3.5Å; I165-K240 HydrophobicContact CG2-CD 4.11Å; I165-K240 HydrophobicContact CG2-CG 4.39Å; L166-K240 PolarHBondContact O-N 2.81Å; A168-K240 PolarHBondContact N-O 2.85Å; D169-K240 IonicContact OD2-NZ 3.72Å; D169-K240 PolarHBondContact OD2-NZ 3.28Å; D169-K240 VanDerWaalsContact OD2-NZ 3.07Å; K240-W260 WeakPolarHBondContact CA-O 3.35Å; K240-W260 HydrophobicContact CB-CB 3.9Å; K240-W260 HydrophobicContact CB-CD2 4.36Å; K240-W260 HydrophobicContact CB-CG 3.86Å; K240-W260 HydrophobicContact CD-CD2 4.33Å; K240-W260 HydrophobicContact CD-CG 4.33Å; K240-W260 HydrophobicContact CG-CB 4.35Å; K240-W260 HydrophobicContact CG-CD2 4.35Å; K240-W260 HydrophobicContact CG-CG 3.87Å; K240-S262 WeakPolarHBondContact CE-OG 2.93Å; K240-S262 PolarHBondContact NZ-OG 2.92Å; K240-H264 PolarHBondContact NZ-ND1 2.98Å; K240-D295 WeakPolarHBondContact CE-OD2 3.42Å; K240-D295 IonicContact NZ-OD2 3.6Å
241G98.1Very high97.4Very high15 Ų1542.1 Ų42.116%0.15524%0.238CC..EExtended strand (participates in β ladder)trans115.14.2179.800000113.7D169 Q243 W260 S262D169-G241 WeakPolarHBondContact OD2-CA 3.18Å; G241-Q243 PolarHBondContact O-N 2.91Å; G241-W260 PolarHBondContact N-O 3.41Å; G241-W260 VanDerWaalsContact N-O 3.1Å; G241-S262 CarbonylContact C-O 3.6Å; G241-S262 VanDerWaalsContact C-O 3.3Å; G241-S262 VanDerWaalsContact CA-O 3.29Å; G241-S262 WeakPolarHBondContact CA-O 3.5Å
242I98.4Very high97.4Very high8 Ų838.2 Ų38.24%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-68.1121.8-179.2-56.8-62.1000108.9V239 S244 D247 A248 I259 V261 S262 I282V239-I242 HydrophobicContact CB-CD1 4.44Å; V239-I242 HydrophobicContact CB-CG1 4.45Å; V239-I242 HydrophobicContact CG1-CD1 3.8Å; V239-I242 HydrophobicContact CG1-CG1 4.19Å; I242-S244 VanDerWaalsContact CG2-O 3.32Å; I242-S244 WeakPolarHBondContact CG2-O 3.3Å; I242-D247 HydrophobicContact CD1-CB 3.78Å; I242-D247 HydrophobicContact CG2-CB 4.43Å; I242-A248 HydrophobicContact CG2-CB 3.89Å; I242-I259 HydrophobicContact CB-CG2 4.1Å; I242-I259 HydrophobicContact CG1-CG2 4.13Å; I242-I259 HydrophobicContact CG2-CG2 4.13Å; I242-V261 WeakPolarHBondContact O-CA 3.36Å; I242-S262 PolarHBondContact O-N 2.72Å; I242-I282 HydrophobicContact CG2-CD1 4.12Å; I242-I282 HydrophobicContact CG2-CG2 4.49Å
243Q97.9Very high97.4Very high36 Ų3637.7 Ų37.717%0.16823%0.226CC..  trans-125.6-16.2173.6-66.9-65.5-97.100112.9G241 S262 N263 S275G241-Q243 PolarHBondContact O-N 2.91Å; Q243-S262 WeakPolarHBondContact CG-O 3.45Å; Q243-S262 PolarHBondContact NE2-O 3.16Å; Q243-N263 HydrophobicContact CG-CB 4.2Å; Q243-S275 PolarHBondContact NE2-OG 3.29Å; Q243-S275 PolarHBondContact OE1-OG 3.06Å; Q243-S275 VanDerWaalsContact OE1-OG 3.09Å
244S96.4Very high97.4Very high27 Ų2738.4 Ų38.419%0.18923%0.233CC..SBendtrans-98.9147171.579.30000110.6I242 E246 D247I242-S244 VanDerWaalsContact CG2-O 3.32Å; I242-S244 WeakPolarHBondContact CG2-O 3.3Å; S244-E246 VanDerWaalsContact C-N 3.25Å; S244-E246 WeakPolarHBondContact CB-OE2 3.36Å; S244-D247 VanDerWaalsContact OG-CB 3.25Å; S244-D247 WeakPolarHBondContact OG-CB 3.38Å; S244-D247 PolarHBondContact OG-N 3.34Å; S244-D247 PolarHBondContact OG-OD2 3.39Å
245P94.5Very high97.4Very high25 Ų2534.1 Ų34.116%0.16221%0.208CC..Hα-helixtrans-64.9-29.3167.2-21.233.7000112.9A248 E249 L281 I282 V285P245-A248 WeakPolarHBondContact O-CB 3.44Å; P245-A248 PolarHBondContact O-N 3.03Å; P245-E249 PolarHBondContact O-N 2.82Å; P245-L281 HydrophobicContact CG-CB 3.71Å; P245-I282 HydrophobicContact CG-CG1 4.46Å; P245-V285 HydrophobicContact CB-CB 4.19Å; P245-V285 HydrophobicContact CB-CG2 3.62Å
246E95.6Very high97.4Very high130 Ų13032.8 Ų32.861%0.60720%0.201SC*.Hα-helixtrans-65.4-46.2179.8-6572.9-161.800111.9S244 A248 E249 V250S244-E246 VanDerWaalsContact C-N 3.25Å; S244-E246 WeakPolarHBondContact CB-OE2 3.36Å; E246-A248 PolarHBondContact O-N 3.23Å; E246-E249 PolarHBondContact O-N 2.91Å; E246-V250 WeakPolarHBondContact O-CG2 3.33Å; E246-V250 PolarHBondContact O-N 3.09Å
247D97Very high97.4Very high88 Ų8833.4 Ų33.447%0.47120%0.203SC..Hα-helixtrans-65.8-26.6176.3-65.4-52.9000111.7I242 S244 A251I242-D247 HydrophobicContact CD1-CB 3.78Å; I242-D247 HydrophobicContact CG2-CB 4.43Å; S244-D247 VanDerWaalsContact OG-CB 3.25Å; S244-D247 WeakPolarHBondContact OG-CB 3.38Å; S244-D247 PolarHBondContact OG-N 3.34Å; S244-D247 PolarHBondContact OG-OD2 3.39Å; D247-A251 WeakPolarHBondContact O-CB 3.46Å; D247-A251 PolarHBondContact O-N 2.7Å
248A96.5Very high97.4Very high0 Ų033.4 Ų33.40%020%0.203CC..Hα-helixtrans-67.9-42.3173.800000111.6I242 P245 E246 I252 I259 I282 V286I242-A248 HydrophobicContact CG2-CB 3.89Å; P245-A248 WeakPolarHBondContact O-CB 3.44Å; P245-A248 PolarHBondContact O-N 3.03Å; E246-A248 PolarHBondContact O-N 3.23Å; A248-I252 WeakPolarHBondContact O-CG1 3.43Å; A248-I252 PolarHBondContact O-N 3.01Å; A248-I252 VanDerWaalsContact O-N 3.08Å; A248-I259 HydrophobicContact CB-CD1 4.45Å; A248-I259 HydrophobicContact CB-CG1 4.5Å; A248-I282 HydrophobicContact CB-CG2 3.89Å; A248-V286 HydrophobicContact CB-CG2 4.07Å
249E95.3Very high97.4Very high76 Ų7633.4 Ų33.436%0.35520%0.203SC..Hα-helixtrans-65.1-46.4173.7-169.463.6-131.300111.1P245 E246 A251 I252 A253 V285 R289P245-E249 PolarHBondContact O-N 2.82Å; E246-E249 PolarHBondContact O-N 2.91Å; E249-A251 VanDerWaalsContact C-N 3.32Å; E249-A251 PolarHBondContact O-N 3.3Å; E249-I252 PolarHBondContact O-N 2.96Å; E249-A253 WeakPolarHBondContact O-CB 3.34Å; E249-A253 PolarHBondContact O-N 3.4Å; E249-V285 HydrophobicContact CB-CG1 4.14Å; E249-V285 WeakPolarHBondContact OE2-CG1 3.37Å; E249-R289 IonicContact OE1-CZ 3.79Å; E249-R289 IonicContact OE1-NH1 2.71Å; E249-R289 PolarHBondContact OE1-NH1 2.63Å; E249-R289 IonicContact OE1-NH2 3.5Å; E249-R289 IonicContact OE2-CZ 3.72Å; E249-R289 IonicContact OE2-NH1 3.2Å; E249-R289 PolarHBondContact OE2-NH1 2.92Å; E249-R289 IonicContact OE2-NH2 3.85Å; E249-R289 PolarHBondContact OE2-NH2 2.62Å
250V97.1Very high97.4Very high68 Ų6833.1 Ų33.141%0.41220%0.201SC..Hα-helixtrans-59.8-42178170.90000111.5P223 E246 A253 A254P223-V250 HydrophobicContact CB-CG1 3.98Å; P223-V250 HydrophobicContact CG-CG1 3.47Å; P223-V250 VanDerWaalsContact CG-CG1 3.47Å; E246-V250 WeakPolarHBondContact O-CG2 3.33Å; E246-V250 PolarHBondContact O-N 3.09Å; V250-A253 PolarHBondContact O-N 3.41Å; V250-A254 WeakPolarHBondContact O-CB 3.39Å; V250-A254 PolarHBondContact O-N 3.42Å
251A98.1Very high97.4Very high3 Ų332.9 Ų32.93%0.02520%0.2CC..Hα-helixtrans-64.7-43.9176.200000112.4I226 V239 D247 E249 A254 G255 A256 I259I226-A251 HydrophobicContact CD1-CB 4.13Å; V239-A251 HydrophobicContact CB-CB 4.24Å; V239-A251 HydrophobicContact CG2-CB 4.01Å; D247-A251 WeakPolarHBondContact O-CB 3.46Å; D247-A251 PolarHBondContact O-N 2.7Å; E249-A251 VanDerWaalsContact C-N 3.32Å; E249-A251 PolarHBondContact O-N 3.3Å; A251-A254 PolarHBondContact O-N 2.6Å; A251-G255 PolarHBondContact O-N 3.14Å; A251-A256 HydrophobicContact CB-CB 4.11Å; A251-A256 WeakPolarHBondContact O-CB 3.36Å; A251-A256 PolarHBondContact O-N 3.43Å; A251-I259 HydrophobicContact CB-CD1 3.67Å
252I97.6Very high97.4Very high27 Ų2732.2 Ų32.214%0.13819%0.193CC..Hα-helixtrans-64.4-43.9176.2-70.4167.9000110.9A248 E249 A254 G255 I259 V286 V290A248-I252 WeakPolarHBondContact O-CG1 3.43Å; A248-I252 PolarHBondContact O-N 3.01Å; A248-I252 VanDerWaalsContact O-N 3.08Å; E249-I252 PolarHBondContact O-N 2.96Å; I252-A254 VanDerWaalsContact C-N 3.29Å; I252-A254 PolarHBondContact O-N 2.96Å; I252-G255 WeakPolarHBondContact O-CA 3.27Å; I252-G255 PolarHBondContact O-N 2.95Å; I252-I259 HydrophobicContact CD1-CG1 4.36Å; I252-I259 HydrophobicContact CG1-CD1 4.27Å; I252-I259 HydrophobicContact CG1-CG1 4.32Å; I252-V286 HydrophobicContact CD1-CB 4.26Å; I252-V286 HydrophobicContact CD1-CG1 4.08Å; I252-V286 HydrophobicContact CD1-CG2 3.98Å; I252-V290 HydrophobicContact CD1-CG2 3.79Å; I252-V290 HydrophobicContact CG1-CG2 3.82Å
253A96.4Very high97.4Very high83 Ų8332.6 Ų32.669%0.68620%0.195SC*.Hα-helixtrans-63.9-33.2178.200000112.7E249 V250 G255E249-A253 WeakPolarHBondContact O-CB 3.34Å; E249-A253 PolarHBondContact O-N 3.4Å; V250-A253 PolarHBondContact O-N 3.41Å; A253-G255 PolarHBondContact O-N 2.77Å
254A97.1Very high97.3Very high26 Ų2632.1 Ų32.122%0.21519%0.193CC..THydrogen-bonded Turntrans-76.7-1.6170.500000114.2P223 I226 V250 A251 I252P223-A254 HydrophobicContact CB-CB 3.7Å; P223-A254 WeakPolarHBondContact O-CB 3.25Å; I226-A254 HydrophobicContact CB-CB 4.38Å; I226-A254 HydrophobicContact CD1-CB 3.83Å; V250-A254 WeakPolarHBondContact O-CB 3.39Å; V250-A254 PolarHBondContact O-N 3.42Å; A251-A254 PolarHBondContact O-N 2.6Å; I252-A254 VanDerWaalsContact C-N 3.29Å; I252-A254 PolarHBondContact O-N 2.96Å
255G96.8Very high97.4Very high28 Ų2831.2 Ų31.229%0.28919%0.187SC..THydrogen-bonded Turntrans9023.9173.600000115.2K230 A251 I252 A253K230-G255 WeakPolarHBondContact CD-O 3.48Å; K230-G255 WeakPolarHBondContact CE-O 3.4Å; K230-G255 PolarHBondContact NZ-O 2.98Å; A251-G255 PolarHBondContact O-N 3.14Å; I252-G255 WeakPolarHBondContact O-CA 3.27Å; I252-G255 PolarHBondContact O-N 2.95Å; A253-G255 PolarHBondContact O-N 2.77Å
256A98.5Very high97.5Very high5 Ų530 Ų304%0.04118%0.179CC..  trans-59.313816800000110.8I226 V239 A251I226-A256 HydrophobicContact CG2-CB 4.1Å; V239-A256 HydrophobicContact CG2-CB 3.74Å; A251-A256 HydrophobicContact CB-CB 4.11Å; A251-A256 WeakPolarHBondContact O-CB 3.36Å; A251-A256 PolarHBondContact O-N 3.43Å
257D98.7Very high97.5Very high46 Ų4624.9 Ų24.925%0.24616%0.155CC..SBendtrans-91.1-4.4-179-52.1-86.5000112.6W76 K230 P236 V237 V290 P291W76-D257 HydrophobicContact CZ2-CB 4.24Å; K230-D257 VanDerWaalsContact CE-OD2 3.31Å; K230-D257 WeakPolarHBondContact CE-OD2 3.27Å; K230-D257 IonicContact NZ-OD1 3.61Å; K230-D257 PolarHBondContact NZ-OD1 2.92Å; K230-D257 IonicContact NZ-OD2 2.7Å; K230-D257 PolarHBondContact NZ-OD2 2.89Å; P236-D257 WeakPolarHBondContact CA-OD2 3.22Å; P236-D257 HydrophobicContact CB-CB 3.84Å; V237-D257 PolarHBondContact N-OD2 2.91Å; V237-D257 PolarHBondContact O-N 3.24Å; D257-V290 WeakPolarHBondContact O-CB 3.31Å; D257-P291 VanDerWaalsContact O-CD 3.29Å; D257-P291 WeakPolarHBondContact O-CD 3.42Å
258G98.7Very high97.4Very high0 Ų021.8 Ų21.80%014%0.137CC..EExtended strand (participates in β ladder)trans-168153.4178.300000112.7V237 F238 V239 P291V237-G258 PolarHBondContact O-N 3.09Å; F238-G258 WeakPolarHBondContact CA-O 3.4Å; F238-G258 VanDerWaalsContact CD1-C 3.49Å; V239-G258 PolarHBondContact N-O 2.82Å; V239-G258 VanDerWaalsContact N-O 3.13Å; G258-P291 VanDerWaalsContact CA-O 3.32Å; G258-P291 WeakPolarHBondContact CA-O 3.43Å
259I98.8Very high97.4Very high0 Ų027.4 Ų27.40%017%0.167CC..EExtended strand (participates in β ladder)trans-108.9138.4176.5-64.3-58.3000108.9I242 A248 A251 I252 V261 I282 V286 V290 P291 I292 V293I242-I259 HydrophobicContact CB-CG2 4.1Å; I242-I259 HydrophobicContact CG1-CG2 4.13Å; I242-I259 HydrophobicContact CG2-CG2 4.13Å; A248-I259 HydrophobicContact CB-CD1 4.45Å; A248-I259 HydrophobicContact CB-CG1 4.5Å; A251-I259 HydrophobicContact CB-CD1 3.67Å; I252-I259 HydrophobicContact CD1-CG1 4.36Å; I252-I259 HydrophobicContact CG1-CD1 4.27Å; I252-I259 HydrophobicContact CG1-CG1 4.32Å; I259-V261 HydrophobicContact CG2-CG2 4.18Å; I259-I282 HydrophobicContact CG2-CG2 3.96Å; I259-V286 HydrophobicContact CB-CG2 4.34Å; I259-V286 HydrophobicContact CG1-CG2 3.88Å; I259-V290 HydrophobicContact CG1-CG2 3.98Å; I259-P291 PolarHBondContact N-O 2.86Å; I259-I292 CarbonylContact O-C 3.45Å; I259-I292 WeakPolarHBondContact O-CA 2.88Å; I259-V293 PolarHBondContact O-N 2.67Å
260W98.8Very high97.5Very high0 Ų024.6 Ų24.60%015%0.154CC..EExtended strand (participates in β ladder)trans-124.699.1177.6-174.1-37.7000110.3I85 A87 P88 F137 I165 F238 V239 K240 G241 S262 V293 D295 A316I85-W260 HydrophobicContact CD1-CH2 3.92Å; I85-W260 HydrophobicContact CD1-CZ3 4.18Å; A87-W260 HydrophobicContact CB-CZ2 4.22Å; P88-W260 HydrophobicContact CG-CH2 4.46Å; P88-W260 HydrophobicContact CG-CZ2 4.49Å; F137-W260 HydrophobicContact CD2-CZ3 4.47Å; I165-W260 HydrophobicContact CD1-CE3 4.15Å; I165-W260 HydrophobicContact CD1-CH2 3.87Å; I165-W260 HydrophobicContact CD1-CZ3 3.42Å; I165-W260 VanDerWaalsContact CD1-CZ3 3.42Å; I165-W260 HydrophobicContact CG1-CE3 4.18Å; I165-W260 HydrophobicContact CG1-CZ3 3.89Å; I165-W260 HydrophobicContact CG2-CD2 4.42Å; I165-W260 HydrophobicContact CG2-CE3 4Å; I165-W260 HydrophobicContact CG2-CZ3 4.35Å; F238-W260 HydrophobicContact CB-CE3 4.37Å; F238-W260 HydrophobicContact CD1-CB 4.48Å; F238-W260 HydrophobicContact CG-CE3 4.37Å; V239-W260 PolarHBondContact O-N 3.32Å; K240-W260 WeakPolarHBondContact CA-O 3.35Å; K240-W260 HydrophobicContact CB-CB 3.9Å; K240-W260 HydrophobicContact CB-CD2 4.36Å; K240-W260 HydrophobicContact CB-CG 3.86Å; K240-W260 HydrophobicContact CD-CD2 4.33Å; K240-W260 HydrophobicContact CD-CG 4.33Å; K240-W260 HydrophobicContact CG-CB 4.35Å; K240-W260 HydrophobicContact CG-CD2 4.35Å; K240-W260 HydrophobicContact CG-CG 3.87Å; G241-W260 PolarHBondContact N-O 3.41Å; G241-W260 VanDerWaalsContact N-O 3.1Å; W260-S262 PolarHBondContact O-N 3.13Å; W260-V293 CarbonylContact C-O 3.59Å; W260-V293 VanDerWaalsContact CA-O 3.29Å; W260-V293 WeakPolarHBondContact CA-O 3.4Å; W260-V293 HydrophobicContact CB-CB 4.12Å; W260-V293 HydrophobicContact CD2-CB 3.64Å; W260-V293 HydrophobicContact CD2-CG1 3.46Å; W260-V293 VanDerWaalsContact CD2-CG1 3.46Å; W260-V293 HydrophobicContact CD2-CG2 4.3Å; W260-V293 VanDerWaalsContact CE2-CG1 3.49Å; W260-V293 HydrophobicContact CE3-CB 3.75Å; W260-V293 HydrophobicContact CE3-CG1 3.69Å; W260-V293 HydrophobicContact CE3-CG2 3.88Å; W260-V293 HydrophobicContact CG-CB 3.8Å; W260-V293 HydrophobicContact CG-CG1 3.96Å; W260-V293 HydrophobicContact CH2-CG1 3.98Å; W260-V293 HydrophobicContact CZ2-CG1 3.78Å; W260-V293 HydrophobicContact CZ3-CB 4.37Å; W260-V293 HydrophobicContact CZ3-CG1 3.94Å; W260-V293 HydrophobicContact CZ3-CG2 4.26Å; W260-D295 PolarHBondContact NE1-OD2 3.01Å; W260-A316 HydrophobicContact CH2-CB 4.04Å; W260-A316 HydrophobicContact CZ2-CB 3.45Å; W260-A316 VanDerWaalsContact CZ2-CB 3.45Å
261V98.8Very high97.4Very high0 Ų024.1 Ų24.10%016%0.163CC..EExtended strand (participates in β ladder)trans-73.1113.9-177.8-177.10000109.5I242 I259 V278 L279 I282 I292 V293 F294 D295I242-V261 WeakPolarHBondContact O-CA 3.36Å; I259-V261 HydrophobicContact CG2-CG2 4.18Å; V261-V278 HydrophobicContact CG1-CG2 4.26Å; V261-L279 HydrophobicContact CB-CD1 4.3Å; V261-L279 HydrophobicContact CG1-CB 4.44Å; V261-L279 HydrophobicContact CG1-CD1 4.46Å; V261-L279 HydrophobicContact CG2-CD1 4Å; V261-I282 HydrophobicContact CB-CD1 4.44Å; V261-I282 HydrophobicContact CG1-CD1 3.8Å; V261-I282 HydrophobicContact CG2-CB 4.25Å; V261-I282 HydrophobicContact CG2-CD1 3.84Å; V261-I282 HydrophobicContact CG2-CG2 3.81Å; V261-I292 HydrophobicContact CG2-CG2 3.98Å; V261-V293 PolarHBondContact N-O 3.36Å; V261-F294 HydrophobicContact CB-CD2 4.26Å; V261-F294 HydrophobicContact CG1-CD2 4.19Å; V261-D295 PolarHBondContact O-N 3.4Å
262S98.7Very high97.2Very high0 Ų024.5 Ų24.50%017%0.167CC..  trans-162.7145.6-173.4-174.60000111.4K240 G241 I242 Q243 W260 H264 D295K240-S262 WeakPolarHBondContact CE-OG 2.93Å; K240-S262 PolarHBondContact NZ-OG 2.92Å; G241-S262 CarbonylContact C-O 3.6Å; G241-S262 VanDerWaalsContact C-O 3.3Å; G241-S262 VanDerWaalsContact CA-O 3.29Å; G241-S262 WeakPolarHBondContact CA-O 3.5Å; I242-S262 PolarHBondContact O-N 2.72Å; Q243-S262 WeakPolarHBondContact CG-O 3.45Å; Q243-S262 PolarHBondContact NE2-O 3.16Å; W260-S262 PolarHBondContact O-N 3.13Å; S262-H264 PolarHBondContact OG-N 3.3Å; S262-D295 WeakPolarHBondContact CB-OD1 3.21Å; S262-D295 WeakPolarHBondContact CB-OD2 3.22Å; S262-D295 PolarHBondContact OG-OD1 3.26Å; S262-D295 PolarHBondContact OG-OD2 3.43Å; S262-D295 VanDerWaalsContact OG-OD2 3.04Å
263N97.5Very high97.1Very high17 Ų1726.3 Ų26.39%0.09118%0.181CC..SBendtrans-112.732.9161.659.730.5000111.2T45 N49 Q243 G265 G266 P273 S275 S296T45-N263 WeakPolarHBondContact CG2-ND2 3.15Å; N49-N263 PolarHBondContact ND2-ND2 3.17Å; N49-N263 PolarHBondContact ND2-OD1 3.4Å; N49-N263 PolarHBondContact OD1-ND2 2.82Å; N49-N263 PolarHBondContact OD1-OD1 2.99Å; Q243-N263 HydrophobicContact CG-CB 4.2Å; N263-G265 PolarHBondContact O-N 2.9Å; N263-G265 VanDerWaalsContact O-N 3.14Å; N263-G265 PolarHBondContact OD1-N 2.85Å; N263-G266 PolarHBondContact O-N 2.98Å; N263-G266 VanDerWaalsContact O-N 3.07Å; N263-G266 PolarHBondContact OD1-N 3.38Å; N263-P273 PolarHBondContact ND2-O 3.26Å; N263-S275 PolarHBondContact N-OG 3.46Å; N263-S275 PolarHBondContact ND2-N 3.43Å; N263-S275 PolarHBondContact ND2-OG 3.16Å; N263-S275 VanDerWaalsContact ND2-OG 3.14Å; N263-S296 PolarHBondContact OD1-OG 2.85Å
264H97.4Very high97.2Very high26 Ų2622.4 Ų22.412%0.1215%0.149CC..THydrogen-bonded Turntrans56.723.5-174.8-131.2103.1000114.9Y141 D169 K240 S262 R267 Q268Y141-H264 PolarHBondContact OH-CE1 2.74Å; Y141-H264 VanDerWaalsContact OH-CE1 3.27Å; Y141-H264 PolarHBondContact OH-NE2 3.43Å; D169-H264 IonicContact OD1-CE1 3.16Å; D169-H264 IonicContact OD1-CG 3.69Å; D169-H264 IonicContact OD1-ND1 2.72Å; D169-H264 PolarHBondContact OD1-ND1 3.28Å; D169-H264 WeakPolarHBondContact OD2-CB 3.19Å; D169-H264 IonicContact OD2-CG 3.47Å; D169-H264 PolarHBondContact OD2-N 2.64Å; D169-H264 VanDerWaalsContact OD2-N 3.16Å; D169-H264 IonicContact OD2-ND1 2.68Å; D169-H264 PolarHBondContact OD2-ND1 3.23Å; D169-H264 VanDerWaalsContact OD2-ND1 3.16Å; K240-H264 PolarHBondContact NZ-ND1 2.98Å; S262-H264 PolarHBondContact OG-N 3.3Å; H264-R267 HydrophobicContact CB-CB 4.48Å; H264-Q268 HydrophobicContact CB-CG 3.73Å
265G97.1Very high97.3Very high7 Ų721.2 Ų21.27%0.07214%0.138CC..THydrogen-bonded Turntrans70.633.6-175.200000113.6N263 S296 R319N263-G265 PolarHBondContact O-N 2.9Å; N263-G265 VanDerWaalsContact O-N 3.14Å; N263-G265 PolarHBondContact OD1-N 2.85Å; G265-S296 VanDerWaalsContact CA-OG 3.22Å; G265-S296 WeakPolarHBondContact CA-OG 3.5Å; G265-S296 PolarHBondContact N-OG 2.94Å; G265-R319 PolarHBondContact O-NH1 3.25Å; G265-R319 PolarHBondContact O-NH2 3.42Å
266G97.3Very high97.3Very high0 Ų020 Ų200%013%0.125CC..THydrogen-bonded Turntrans6847.1-179.700000113.4G39 S40 N49 N263G39-G266 CarbonylContact C-O 3.6Å; G39-G266 WeakPolarHBondContact CA-O 3.3Å; S40-G266 PolarHBondContact N-O 2.7Å; S40-G266 VanDerWaalsContact N-O 3.13Å; N49-G266 PolarHBondContact ND2-N 2.86Å; N263-G266 PolarHBondContact O-N 2.98Å; N263-G266 VanDerWaalsContact O-N 3.07Å; N263-G266 PolarHBondContact OD1-N 3.38Å
267R95.8Very high97.2Very high23 Ų2322.8 Ų22.89%0.08714%0.14CC..THydrogen-bonded Turntrans-117.6-8.1-174.2-74.5-177.262.485.7-16.9115.8Y35 G38 R176 H264 R319Y35-R267 PolarHBondContact O-NH1 3.31Å; Y35-R267 PolarHBondContact O-NH2 2.74Å; G38-R267 PolarHBondContact O-NH1 2.68Å; R176-R267 PolarHBondContact NE-O 3.14Å; H264-R267 HydrophobicContact CB-CB 4.48Å; R267-R319 VanDerWaalsContact CG-NH2 3.32Å
268Q94.6Very high97.2Very high22 Ų2221.3 Ų21.310%0.10313%0.132CC..SBendtrans-122-54.2-171.8-41.6-56.5-2.700112S40 D169 S170 G174 H264S40-Q268 PolarHBondContact OG-N 2.66Å; D169-Q268 WeakPolarHBondContact O-CG 3.48Å; S170-Q268 PolarHBondContact OG-NE2 3.5Å; G174-Q268 WeakPolarHBondContact CA-O 3.46Å; H264-Q268 HydrophobicContact CB-CG 3.73Å
269L95.9Very high97.1Very high119 Ų11921.3 Ų21.362%0.62313%0.132SC*.  trans-120.6121.7177178.164.5000108.4
270D97Very high96.8Very high17 Ų1723.7 Ų23.79%0.09115%0.148CC..SBendtrans-93.9161.4167.6-143.844.3000110S40 E41 E43 W44 T45 G272S40-D270 VanDerWaalsContact O-CG 3.27Å; S40-D270 PolarHBondContact OG-N 2.84Å; E41-D270 HydrophobicContact CB-CB 3.86Å; E41-D270 HydrophobicContact CG-CB 4.46Å; E43-D270 PolarHBondContact N-OD2 3.32Å; W44-D270 VanDerWaalsContact CB-OD2 3.28Å; W44-D270 WeakPolarHBondContact CB-OD2 3.45Å; W44-D270 VanDerWaalsContact N-CG 3.32Å; W44-D270 PolarHBondContact N-OD1 3.2Å; W44-D270 PolarHBondContact N-OD2 2.68Å; T45-D270 VanDerWaalsContact CB-OD1 3.32Å; T45-D270 WeakPolarHBondContact CB-OD1 3.42Å; T45-D270 PolarHBondContact N-OD1 2.67Å; D270-G272 PolarHBondContact O-N 3.46Å; D270-G272 VanDerWaalsContact O-N 3.13Å
271G96.2Very high96.4Very high58 Ų5828.7 Ų28.760%0.59817%0.174SC*.SBendtrans72.5-7.8-169.300000114.9T45T45-G271 PolarHBondContact OG1-N 2.75Å
272G94.3Very high96.1Very high11 Ų1128.7 Ų28.711%0.11317%0.174CC..SBendtrans-70.6161.1168.400000112.6T45 D270T45-G272 WeakPolarHBondContact CG2-O 3.36Å; T45-G272 PolarHBondContact OG1-N 2.79Å; T45-G272 PolarHBondContact OG1-O 3.28Å; D270-G272 PolarHBondContact O-N 3.46Å; D270-G272 VanDerWaalsContact O-N 3.13Å
273P95.9Very high95.8Very high64 Ų6429.8 Ų29.842%0.41618%0.181SC..PPolyproline II helixtrans-64.9155.8-177.428.9-36.1000112.5N263 V278N263-P273 PolarHBondContact ND2-O 3.26Å; P273-V278 HydrophobicContact CB-CG1 3.88Å; P273-V278 HydrophobicContact CG-CG1 3.85Å
274A97.8Very high95.3Very high2 Ų231.5 Ų31.52%0.01720%0.202CC..PPolyproline II helixtrans-65.2133.8165.100000109.8E48 N49 F276 D277E48-A274 HydrophobicContact CB-CB 4.26Å; E48-A274 WeakPolarHBondContact O-CB 3.48Å; N49-A274 WeakPolarHBondContact OD1-CA 3.38Å; A274-F276 PolarHBondContact O-N 3.07Å; A274-F276 VanDerWaalsContact O-N 3.07Å; A274-D277 HydrophobicContact CB-CB 4.41Å; A274-D277 PolarHBondContact O-N 2.87Å
275S98.1Very high94.7Very high0 Ų032.7 Ų32.70%021%0.211CC..Hα-helixtrans-59.2-28.6-176.7-60.10000113.3N49 Q243 N263 V278 L279N49-S275 PolarHBondContact OD1-N 2.69Å; Q243-S275 PolarHBondContact NE2-OG 3.29Å; Q243-S275 PolarHBondContact OE1-OG 3.06Å; Q243-S275 VanDerWaalsContact OE1-OG 3.09Å; N263-S275 PolarHBondContact N-OG 3.46Å; N263-S275 PolarHBondContact ND2-N 3.43Å; N263-S275 PolarHBondContact ND2-OG 3.16Å; N263-S275 VanDerWaalsContact ND2-OG 3.14Å; S275-V278 VanDerWaalsContact O-CG2 3.3Å; S275-V278 WeakPolarHBondContact O-CG2 3.43Å; S275-L279 PolarHBondContact O-N 2.99Å; S275-L279 VanDerWaalsContact O-N 3.14Å
276F98.3Very high94.5Very high4 Ų432.4 Ų32.42%0.01821%0.208CC..Hα-helixtrans-73.6-29.6176.9-178-111.2000113.3F53 K56 A274 V278 L279 P280 F294 K306 S310F53-F276 AromaticContact CD1-CD1 3.93Å; F53-F276 HydrophobicContact CD1-CD1 3.93Å; F53-F276 AromaticContact CD1-CD2 3.93Å; F53-F276 HydrophobicContact CD1-CD2 3.93Å; F53-F276 HydrophobicContact CD1-CE1 4.03Å; F53-F276 HydrophobicContact CD1-CE2 4.05Å; F53-F276 AromaticContact CD1-CG 3.89Å; F53-F276 HydrophobicContact CD1-CG 3.89Å; F53-F276 HydrophobicContact CD1-CZ 4.1Å; F53-F276 HydrophobicContact CE1-CB 4.17Å; F53-F276 HydrophobicContact CE1-CD1 4.21Å; F53-F276 AromaticContact CE1-CD2 3.48Å; F53-F276 HydrophobicContact CE1-CD2 3.48Å; F53-F276 VanDerWaalsContact CE1-CD2 3.48Å; F53-F276 AromaticContact CE1-CE2 3.89Å; F53-F276 HydrophobicContact CE1-CE2 3.89Å; F53-F276 AromaticContact CE1-CG 3.67Å; F53-F276 HydrophobicContact CE1-CG 3.67Å; F53-F276 HydrophobicContact CE1-CZ 4.41Å; F53-F276 HydrophobicContact CE2-CB 4.4Å; F53-F276 HydrophobicContact CG-CD1 4.29Å; F53-F276 HydrophobicContact CG-CG 4.47Å; F53-F276 HydrophobicContact CZ-CB 4.06Å; F53-F276 HydrophobicContact CZ-CD2 4.14Å; F53-F276 HydrophobicContact CZ-CG 4.08Å; K56-F276 HydrophobicContact CB-CE1 4.05Å; K56-F276 HydrophobicContact CB-CZ 4.18Å; K56-F276 HydrophobicContact CG-CE1 3.71Å; K56-F276 HydrophobicContact CG-CZ 3.9Å; A274-F276 PolarHBondContact O-N 3.07Å; A274-F276 VanDerWaalsContact O-N 3.07Å; F276-V278 VanDerWaalsContact C-N 3.33Å; F276-L279 HydrophobicContact CD2-CD2 4.19Å; F276-P280 WeakPolarHBondContact O-CD 3.47Å; F276-F294 HydrophobicContact CB-CE2 4.12Å; F276-F294 HydrophobicContact CB-CZ 3.9Å; F276-F294 HydrophobicContact CD2-CZ 4.26Å; F276-K306 HydrophobicContact CE2-CB 4.08Å; F276-K306 HydrophobicContact CZ-CB 3.87Å; F276-S310 WeakPolarHBondContact CE2-OG 3.4Å
277D96.8Very high94.1Very high63 Ų6338 Ų3834%0.33724%0.238SC..Hα-helixtrans-73.8-27179-71.2-28.6000111.4S52 K55 A274S52-D277 WeakPolarHBondContact CB-OD1 3.21Å; K55-D277 IonicContact NZ-OD1 2.7Å; K55-D277 IonicContact NZ-OD2 3.02Å; K55-D277 PolarHBondContact NZ-OD2 3.31Å; A274-D277 HydrophobicContact CB-CB 4.41Å; A274-D277 PolarHBondContact O-N 2.87Å
278V97.1Very high93.9Very high15 Ų1544.1 Ų44.19%0.09127%0.265CS..Hα-helixtrans-91.5-18.9174.7-63.80000114.4V261 P273 S275 F276 L281 I282V261-V278 HydrophobicContact CG1-CG2 4.26Å; P273-V278 HydrophobicContact CB-CG1 3.88Å; P273-V278 HydrophobicContact CG-CG1 3.85Å; S275-V278 VanDerWaalsContact O-CG2 3.3Å; S275-V278 WeakPolarHBondContact O-CG2 3.43Å; F276-V278 VanDerWaalsContact C-N 3.33Å; V278-L281 WeakPolarHBondContact O-CB 3.31Å; V278-L281 PolarHBondContact O-N 2.76Å; V278-I282 HydrophobicContact CB-CD1 4.22Å; V278-I282 HydrophobicContact CG2-CD1 4.01Å; V278-I282 PolarHBondContact O-N 3.04Å; V278-I282 VanDerWaalsContact O-N 3.12Å
279L97.5Very high93.8Very high0 Ų048.5 Ų48.50%028%0.281CS..Hα-helixtrans-50.9-47.1-179173.666.9000113.2V261 S275 F276 L281 I282 T283 I292 F294 A307 A312V261-L279 HydrophobicContact CB-CD1 4.3Å; V261-L279 HydrophobicContact CG1-CB 4.44Å; V261-L279 HydrophobicContact CG1-CD1 4.46Å; V261-L279 HydrophobicContact CG2-CD1 4Å; S275-L279 PolarHBondContact O-N 2.99Å; S275-L279 VanDerWaalsContact O-N 3.14Å; F276-L279 HydrophobicContact CD2-CD2 4.19Å; L279-L281 VanDerWaalsContact C-N 3.28Å; L279-L281 PolarHBondContact O-N 3.46Å; L279-I282 PolarHBondContact O-N 3.09Å; L279-T283 HydrophobicContact CD1-CG2 3.6Å; L279-T283 HydrophobicContact CG-CG2 4.08Å; L279-T283 WeakPolarHBondContact O-CG2 3.43Å; L279-T283 PolarHBondContact O-N 2.97Å; L279-T283 PolarHBondContact O-OG1 3.48Å; L279-I292 HydrophobicContact CD1-CG2 4.03Å; L279-F294 HydrophobicContact CB-CD2 4.24Å; L279-F294 HydrophobicContact CD1-CB 4.18Å; L279-F294 HydrophobicContact CD1-CD2 4.15Å; L279-F294 HydrophobicContact CD1-CG 4.42Å; L279-F294 HydrophobicContact CD2-CB 4.25Å; L279-F294 HydrophobicContact CD2-CD1 4.43Å; L279-F294 HydrophobicContact CD2-CD2 3.77Å; L279-F294 HydrophobicContact CD2-CE2 4.29Å; L279-F294 HydrophobicContact CD2-CG 3.85Å; L279-F294 HydrophobicContact CG-CD2 4.28Å; L279-A307 HydrophobicContact CD2-CB 4.19Å; L279-A312 HydrophobicContact CD1-CB 4.45Å; L279-A312 HydrophobicContact CD2-CB 4.38Å
280P91.3Very high93.9Very high50 Ų5043.9 Ų43.933%0.32526%0.257SS..Hα-helixtrans-64.1-27.7178.4-22.634.2000114.8F276 T283 G284F276-P280 WeakPolarHBondContact O-CD 3.47Å; P280-T283 WeakPolarHBondContact CA-OG1 3.37Å; P280-T283 PolarHBondContact O-OG1 3.26Å; P280-G284 PolarHBondContact O-N 2.81Å
281L91.6Very high94Very high104 Ų10444.1 Ų44.155%0.54526%0.26SS..Hα-helixtrans-75.4-43.5178.7-56.5176.3000110.1P245 V278 L279 G284 V285P245-L281 HydrophobicContact CG-CB 3.71Å; V278-L281 WeakPolarHBondContact O-CB 3.31Å; V278-L281 PolarHBondContact O-N 2.76Å; L279-L281 VanDerWaalsContact C-N 3.28Å; L279-L281 PolarHBondContact O-N 3.46Å; L281-G284 PolarHBondContact O-N 3.37Å; L281-V285 PolarHBondContact O-N 3.4Å
282I92.6Very high94.1Very high0 Ų041.6 Ų41.60%023%0.232CC..Hα-helixtrans-66.5-43.4176.4-64.7161.5000110.4I242 P245 A248 I259 V261 V278 L279 G284 V285 V286I242-I282 HydrophobicContact CG2-CD1 4.12Å; I242-I282 HydrophobicContact CG2-CG2 4.49Å; P245-I282 HydrophobicContact CG-CG1 4.46Å; A248-I282 HydrophobicContact CB-CG2 3.89Å; I259-I282 HydrophobicContact CG2-CG2 3.96Å; V261-I282 HydrophobicContact CB-CD1 4.44Å; V261-I282 HydrophobicContact CG1-CD1 3.8Å; V261-I282 HydrophobicContact CG2-CB 4.25Å; V261-I282 HydrophobicContact CG2-CD1 3.84Å; V261-I282 HydrophobicContact CG2-CG2 3.81Å; V278-I282 HydrophobicContact CB-CD1 4.22Å; V278-I282 HydrophobicContact CG2-CD1 4.01Å; V278-I282 PolarHBondContact O-N 3.04Å; V278-I282 VanDerWaalsContact O-N 3.12Å; L279-I282 PolarHBondContact O-N 3.09Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 3.09Å; I282-V285 PolarHBondContact O-N 3.36Å; I282-V286 HydrophobicContact CG2-CG2 3.94Å; I282-V286 WeakPolarHBondContact O-CB 3.08Å; I282-V286 VanDerWaalsContact O-CG2 3.24Å; I282-V286 WeakPolarHBondContact O-CG2 3.45Å; I282-V286 PolarHBondContact O-N 2.88Å
283T92.1Very high94.3Very high24 Ų2441.1 Ų41.115%0.14723%0.227CC..Hα-helixtrans-65-34.3179630000111.9L279 P280 N287 I292 S310L279-T283 HydrophobicContact CD1-CG2 3.6Å; L279-T283 HydrophobicContact CG-CG2 4.08Å; L279-T283 WeakPolarHBondContact O-CG2 3.43Å; L279-T283 PolarHBondContact O-N 2.97Å; L279-T283 PolarHBondContact O-OG1 3.48Å; P280-T283 WeakPolarHBondContact CA-OG1 3.37Å; P280-T283 PolarHBondContact O-OG1 3.26Å; T283-N287 PolarHBondContact O-N 2.81Å; T283-I292 HydrophobicContact CG2-CD1 3.44Å; T283-I292 VanDerWaalsContact CG2-CD1 3.44Å; T283-I292 HydrophobicContact CG2-CG2 4.4Å; T283-S310 WeakPolarHBondContact CG2-O 3.47Å; T283-S310 PolarHBondContact OG1-O 3.11Å
284G86.1Confident94.4Very high52 Ų5238.1 Ų38.154%0.53621%0.208SC..Hα-helixtrans-61.4-44.1171.400000113.9P280 L281 I282P280-G284 PolarHBondContact O-N 2.81Å; L281-G284 PolarHBondContact O-N 3.37Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 3.09Å
285V86.4Confident94.5Very high52 Ų5238.4 Ų38.432%0.31521%0.209SC..Hα-helixtrans-72.2-49.6175.8168.90000111.6P245 E249 L281 I282 N287 R289P245-V285 HydrophobicContact CB-CB 4.19Å; P245-V285 HydrophobicContact CB-CG2 3.62Å; E249-V285 HydrophobicContact CB-CG1 4.14Å; E249-V285 WeakPolarHBondContact OE2-CG1 3.37Å; L281-V285 PolarHBondContact O-N 3.4Å; I282-V285 PolarHBondContact O-N 3.36Å; V285-N287 PolarHBondContact O-N 3.3Å; V285-N287 VanDerWaalsContact O-N 3.16Å; V285-R289 PolarHBondContact O-NH2 2.89Å
286V91Very high94.5Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-55.8-36.2179.5172.40000111.4A248 I252 I259 I282 K288 R289 V290 I292A248-V286 HydrophobicContact CB-CG2 4.07Å; I252-V286 HydrophobicContact CD1-CB 4.26Å; I252-V286 HydrophobicContact CD1-CG1 4.08Å; I252-V286 HydrophobicContact CD1-CG2 3.98Å; I259-V286 HydrophobicContact CB-CG2 4.34Å; I259-V286 HydrophobicContact CG1-CG2 3.88Å; I282-V286 HydrophobicContact CG2-CG2 3.94Å; I282-V286 WeakPolarHBondContact O-CB 3.08Å; I282-V286 VanDerWaalsContact O-CG2 3.24Å; I282-V286 WeakPolarHBondContact O-CG2 3.45Å; I282-V286 PolarHBondContact O-N 2.88Å; V286-K288 VanDerWaalsContact C-N 3.32Å; V286-K288 PolarHBondContact O-N 3.09Å; V286-R289 VanDerWaalsContact O-CB 3.3Å; V286-R289 WeakPolarHBondContact O-CB 3.26Å; V286-R289 WeakPolarHBondContact O-CG 3.48Å; V286-R289 PolarHBondContact O-N 2.65Å; V286-R289 PolarHBondContact O-NE 3.49Å; V286-V290 HydrophobicContact CG1-CG2 3.83Å; V286-V290 WeakPolarHBondContact CG1-O 3.32Å; V286-I292 HydrophobicContact CB-CD1 3.83Å; V286-I292 HydrophobicContact CB-CG1 4.37Å; V286-I292 HydrophobicContact CG1-CD1 3.77Å; V286-I292 HydrophobicContact CG1-CG1 3.89Å; V286-I292 HydrophobicContact CG2-CD1 4.15Å; V286-I292 HydrophobicContact CG2-CG1 4.45Å
287N90.5Very high94.4Very high118 Ų11839 Ų3963%0.63122%0.215SC*.THydrogen-bonded Turntrans49.548.4170.4-167.916.7000113.3T283 V285 R289T283-N287 PolarHBondContact O-N 2.81Å; V285-N287 PolarHBondContact O-N 3.3Å; V285-N287 VanDerWaalsContact O-N 3.16Å; N287-R289 PolarHBondContact O-N 3.33Å
288K90Very high94.5Very high151 Ų15136.2 Ų36.266%0.65720%0.2SC*.THydrogen-bonded Turntrans57.413.3180-52.3-177.4-177.9-178.20115.5V286 V290 D362V286-K288 VanDerWaalsContact C-N 3.32Å; V286-K288 PolarHBondContact O-N 3.09Å; K288-V290 VanDerWaalsContact C-N 3.34Å; K288-V290 PolarHBondContact O-N 3.03Å; K288-D362 IonicContact NZ-OD1 3.32Å
289R94.1Very high94.6Very high115 Ų11537.4 Ų37.443%0.43420%0.203SC..SBendtrans-66.4-34.4177.7-71178-72.1169.4-6.1113.1E249 V285 V286 N287E249-R289 IonicContact OE1-CZ 3.79Å; E249-R289 IonicContact OE1-NH1 2.71Å; E249-R289 PolarHBondContact OE1-NH1 2.63Å; E249-R289 IonicContact OE1-NH2 3.5Å; E249-R289 IonicContact OE2-CZ 3.72Å; E249-R289 IonicContact OE2-NH1 3.2Å; E249-R289 PolarHBondContact OE2-NH1 2.92Å; E249-R289 IonicContact OE2-NH2 3.85Å; E249-R289 PolarHBondContact OE2-NH2 2.62Å; V285-R289 PolarHBondContact O-NH2 2.89Å; V286-R289 VanDerWaalsContact O-CB 3.3Å; V286-R289 WeakPolarHBondContact O-CB 3.26Å; V286-R289 WeakPolarHBondContact O-CG 3.48Å; V286-R289 PolarHBondContact O-N 2.65Å; V286-R289 PolarHBondContact O-NE 3.49Å; N287-R289 PolarHBondContact O-N 3.33Å
290V97.9Very high94.6Very high22 Ų2242.3 Ų42.313%0.13322%0.221CC..SBendtrans-141.9155.7176.2-64.30000110I252 D257 I259 V286 K288I252-V290 HydrophobicContact CD1-CG2 3.79Å; I252-V290 HydrophobicContact CG1-CG2 3.82Å; D257-V290 WeakPolarHBondContact O-CB 3.31Å; I259-V290 HydrophobicContact CG1-CG2 3.98Å; V286-V290 HydrophobicContact CG1-CG2 3.83Å; V286-V290 WeakPolarHBondContact CG1-O 3.32Å; K288-V290 VanDerWaalsContact C-N 3.34Å; K288-V290 PolarHBondContact O-N 3.03Å
291P97.8Very high94.9Very high22 Ų2240 Ų4014%0.14321%0.206CC..  trans-65.6148.4177.3-21.835.5000113L75 W76 D257 G258 I259 D313L75-P291 HydrophobicContact CD1-CB 3.64Å; L75-P291 HydrophobicContact CD1-CG 3.57Å; W76-P291 HydrophobicContact CZ2-CG 4.37Å; D257-P291 VanDerWaalsContact O-CD 3.29Å; D257-P291 WeakPolarHBondContact O-CD 3.42Å; G258-P291 VanDerWaalsContact CA-O 3.32Å; G258-P291 WeakPolarHBondContact CA-O 3.43Å; I259-P291 PolarHBondContact N-O 2.86Å; P291-D313 WeakPolarHBondContact CA-OD2 3.44Å; P291-D313 HydrophobicContact CB-CB 4.3Å
292I98.4Very high95.2Very high5 Ų537 Ų373%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-114.6115.1-179.3-58.7172.5000110I259 V261 L279 T283 V286 D313 L314I259-I292 CarbonylContact O-C 3.45Å; I259-I292 WeakPolarHBondContact O-CA 2.88Å; V261-I292 HydrophobicContact CG2-CG2 3.98Å; L279-I292 HydrophobicContact CD1-CG2 4.03Å; T283-I292 HydrophobicContact CG2-CD1 3.44Å; T283-I292 VanDerWaalsContact CG2-CD1 3.44Å; T283-I292 HydrophobicContact CG2-CG2 4.4Å; V286-I292 HydrophobicContact CB-CD1 3.83Å; V286-I292 HydrophobicContact CB-CG1 4.37Å; V286-I292 HydrophobicContact CG1-CD1 3.77Å; V286-I292 HydrophobicContact CG1-CG1 3.89Å; V286-I292 HydrophobicContact CG2-CD1 4.15Å; V286-I292 HydrophobicContact CG2-CG1 4.45Å; I292-D313 PolarHBondContact N-OD2 2.93Å; I292-D313 PolarHBondContact O-N 2.85Å; I292-L314 PolarHBondContact O-N 3.17Å
293V98.8Very high95.5Very high1 Ų137.5 Ų37.51%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-88.6141.7163.6-176.30000108.5I85 F238 I259 W260 V261 L314 A316I85-V293 HydrophobicContact CD1-CG1 3.97Å; I85-V293 HydrophobicContact CD1-CG2 4.39Å; F238-V293 HydrophobicContact CD1-CG2 4.05Å; F238-V293 HydrophobicContact CE1-CG2 3.55Å; F238-V293 HydrophobicContact CZ-CG2 3.89Å; I259-V293 PolarHBondContact O-N 2.67Å; W260-V293 CarbonylContact C-O 3.59Å; W260-V293 VanDerWaalsContact CA-O 3.29Å; W260-V293 WeakPolarHBondContact CA-O 3.4Å; W260-V293 HydrophobicContact CB-CB 4.12Å; W260-V293 HydrophobicContact CD2-CB 3.64Å; W260-V293 HydrophobicContact CD2-CG1 3.46Å; W260-V293 VanDerWaalsContact CD2-CG1 3.46Å; W260-V293 HydrophobicContact CD2-CG2 4.3Å; W260-V293 VanDerWaalsContact CE2-CG1 3.49Å; W260-V293 HydrophobicContact CE3-CB 3.75Å; W260-V293 HydrophobicContact CE3-CG1 3.69Å; W260-V293 HydrophobicContact CE3-CG2 3.88Å; W260-V293 HydrophobicContact CG-CB 3.8Å; W260-V293 HydrophobicContact CG-CG1 3.96Å; W260-V293 HydrophobicContact CH2-CG1 3.98Å; W260-V293 HydrophobicContact CZ2-CG1 3.78Å; W260-V293 HydrophobicContact CZ3-CB 4.37Å; W260-V293 HydrophobicContact CZ3-CG1 3.94Å; W260-V293 HydrophobicContact CZ3-CG2 4.26Å; V261-V293 PolarHBondContact N-O 3.36Å; V293-L314 WeakPolarHBondContact CA-O 3.33Å; V293-L314 HydrophobicContact CG2-CB 4.33Å; V293-A316 HydrophobicContact CG1-CB 3.92Å
294F98.7Very high95.8Very high0 Ų036.3 Ų36.30%018%0.184CC..EExtended strand (participates in β ladder)trans-126.2137.1176164-97000110.9F53 V261 F276 L279 V298 A307 A312 L314 V315 A316F53-F294 HydrophobicContact CE1-CE1 4.21Å; F53-F294 HydrophobicContact CE1-CZ 4.34Å; F53-F294 AromaticContact CZ-CE1 3.73Å; F53-F294 HydrophobicContact CZ-CE1 3.73Å; F53-F294 AromaticContact CZ-CZ 3.7Å; F53-F294 HydrophobicContact CZ-CZ 3.7Å; V261-F294 HydrophobicContact CB-CD2 4.26Å; V261-F294 HydrophobicContact CG1-CD2 4.19Å; F276-F294 HydrophobicContact CB-CE2 4.12Å; F276-F294 HydrophobicContact CB-CZ 3.9Å; F276-F294 HydrophobicContact CD2-CZ 4.26Å; L279-F294 HydrophobicContact CB-CD2 4.24Å; L279-F294 HydrophobicContact CD1-CB 4.18Å; L279-F294 HydrophobicContact CD1-CD2 4.15Å; L279-F294 HydrophobicContact CD1-CG 4.42Å; L279-F294 HydrophobicContact CD2-CB 4.25Å; L279-F294 HydrophobicContact CD2-CD1 4.43Å; L279-F294 HydrophobicContact CD2-CD2 3.77Å; L279-F294 HydrophobicContact CD2-CE2 4.29Å; L279-F294 HydrophobicContact CD2-CG 3.85Å; L279-F294 HydrophobicContact CG-CD2 4.28Å; F294-V298 HydrophobicContact CD1-CG2 4.41Å; F294-V298 HydrophobicContact CE1-CG2 3.72Å; F294-A307 HydrophobicContact CD1-CB 3.39Å; F294-A307 HydrophobicContact CE1-CB 3.7Å; F294-A307 HydrophobicContact CG-CB 4.18Å; F294-A312 HydrophobicContact CB-CB 3.82Å; F294-L314 PolarHBondContact N-O 3Å; F294-V315 HydrophobicContact CD1-CG1 4.15Å; F294-V315 HydrophobicContact CD1-CG2 4.44Å; F294-V315 CarbonylContact O-C 3.52Å; F294-V315 WeakPolarHBondContact O-CA 3.39Å; F294-A316 PolarHBondContact O-N 2.77Å
295D98.7Very high96.2Very high9 Ų934.5 Ų34.55%0.04816%0.162CC..  trans-136.6-172.7170.98238000113.4K240 W260 V261 S262 A316K240-D295 WeakPolarHBondContact CE-OD2 3.42Å; K240-D295 IonicContact NZ-OD2 3.6Å; W260-D295 PolarHBondContact NE1-OD2 3.01Å; V261-D295 PolarHBondContact O-N 3.4Å; S262-D295 WeakPolarHBondContact CB-OD1 3.21Å; S262-D295 WeakPolarHBondContact CB-OD2 3.22Å; S262-D295 PolarHBondContact OG-OD1 3.26Å; S262-D295 PolarHBondContact OG-OD2 3.43Å; S262-D295 VanDerWaalsContact OG-OD2 3.04Å; D295-A316 HydrophobicContact CB-CB 4.06Å; D295-A316 WeakPolarHBondContact CB-O 3.21Å
296S98.3Very high96.7Very high11 Ų1132.8 Ų32.88%0.07715%0.15CC..SBendtrans80.6135.2-179.6-56.30000113.5N263 G265 V298N263-S296 PolarHBondContact OD1-OG 2.85Å; G265-S296 VanDerWaalsContact CA-OG 3.22Å; G265-S296 WeakPolarHBondContact CA-OG 3.5Å; G265-S296 PolarHBondContact N-OG 2.94Å; S296-V298 PolarHBondContact O-N 3.36Å
297G97.7Very high97Very high6 Ų632.8 Ų32.86%0.06215%0.15CC..SBendtrans68.7-10.7177.200000118.5N49 R299 H303N49-G297 WeakPolarHBondContact O-CA 3.46Å; G297-R299 PolarHBondContact O-N 3.07Å; G297-H303 PolarHBondContact O-ND1 3.01Å
298V98.6Very high97.2Very high3 Ų327.2 Ų27.22%0.01812%0.12CC..  trans-59122.1177.9-178.20000110.6F53 F294 S296 H303 V304 V315 I317F53-V298 HydrophobicContact CZ-CG2 4.15Å; F294-V298 HydrophobicContact CD1-CG2 4.41Å; F294-V298 HydrophobicContact CE1-CG2 3.72Å; S296-V298 PolarHBondContact O-N 3.36Å; V298-H303 HydrophobicContact CG1-CB 4.32Å; V298-V304 HydrophobicContact CG1-CG2 3.77Å; V298-V315 HydrophobicContact CB-CG1 4.46Å; V298-V315 HydrophobicContact CG1-CG1 4.1Å; V298-V315 HydrophobicContact CG2-CG1 3.62Å; V298-I317 HydrophobicContact CB-CG2 4.05Å; V298-I317 HydrophobicContact CG1-CG2 3.72Å
299R98.2Very high97.4Very high40 Ų4021.8 Ų21.815%0.15110%0.104CC..  trans-142.3-7.8-179.2-69.7-62.1-176.8-72.2-7.6114.4I17 T50 G297 H303I17-R299 WeakPolarHBondContact CB-O 3.46Å; I17-R299 WeakPolarHBondContact CG1-O 3.19Å; T50-R299 HydrophobicContact CG2-CB 4.49Å; T50-R299 HydrophobicContact CG2-CG 4.04Å; G297-R299 PolarHBondContact O-N 3.07Å; R299-H303 PolarHBondContact N-ND1 2.79Å
300R98.4Very high97.3Very high104 Ų10417.4 Ų17.439%0.3929%0.091SC..SBendtrans-141156.3-177-56.8-64.2-59.8-755.2110.2E302 H303 V304 E343R300-E302 HydrophobicContact CB-CG 3.93Å; R300-E302 PolarHBondContact O-N 3.03Å; R300-H303 WeakPolarHBondContact O-CB 3.38Å; R300-H303 PolarHBondContact O-N 3.46Å; R300-H303 VanDerWaalsContact O-N 3.07Å; R300-V304 PolarHBondContact O-N 3.47Å; R300-E343 WeakPolarHBondContact CA-OE2 3.33Å; R300-E343 WeakPolarHBondContact CB-OE2 3.46Å; R300-E343 IonicContact CZ-OE1 3.08Å; R300-E343 IonicContact CZ-OE2 3.54Å; R300-E343 VanDerWaalsContact NE-CD 3.32Å; R300-E343 IonicContact NE-OE1 3.77Å; R300-E343 PolarHBondContact NE-OE1 3.49Å; R300-E343 IonicContact NE-OE2 2.7Å; R300-E343 PolarHBondContact NE-OE2 2.93Å; R300-E343 IonicContact NH2-OE1 2.65Å; R300-E343 PolarHBondContact NH2-OE1 2.73Å; R300-E343 IonicContact NH2-OE2 2.67Å
301G97.9Very high97.1Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-60.9-28.9171.500000113.2V304 F305 E343G301-V304 WeakPolarHBondContact O-CB 3.28Å; G301-V304 PolarHBondContact O-N 3Å; G301-F305 PolarHBondContact O-N 3.5Å; G301-E343 PolarHBondContact N-OE2 2.68Å
302E97.1Very high97Very high41 Ų4116 Ų1619%0.1929%0.085CC..Hα-helixtrans-70.8-29.2174.269.396.1132.100113.2I58 R300 V304 F305 K306 T347I58-E302 HydrophobicContact CD1-CB 4.16Å; R300-E302 HydrophobicContact CB-CG 3.93Å; R300-E302 PolarHBondContact O-N 3.03Å; E302-V304 VanDerWaalsContact C-N 3.3Å; E302-V304 PolarHBondContact O-N 3.13Å; E302-F305 WeakPolarHBondContact O-CB 3.37Å; E302-F305 PolarHBondContact O-N 3.19Å; E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 WeakPolarHBondContact O-CG 3.4Å; E302-K306 PolarHBondContact O-N 3.16Å; E302-K306 IonicContact OE1-NZ 3.81Å; E302-K306 PolarHBondContact OE1-NZ 3.47Å; E302-K306 VanDerWaalsContact OE2-CD 3.23Å; E302-K306 WeakPolarHBondContact OE2-CD 3.37Å; E302-K306 WeakPolarHBondContact OE2-CE 3.26Å; E302-K306 IonicContact OE2-NZ 2.67Å; E302-K306 PolarHBondContact OE2-NZ 3.47Å; E302-T347 HydrophobicContact CB-CG2 3.93Å
303H98.5Very high96.9Very high11 Ų1117.6 Ų17.65%0.0519%0.093CC..Hα-helixtrans-65.9-38.5173-63.5-161.4000109.9F53 G297 V298 R299 R300 A307F53-H303 HydrophobicContact CD1-CB 3.69Å; F53-H303 AromaticContact CD1-CG 3.87Å; F53-H303 HydrophobicContact CD2-CB 4.19Å; F53-H303 AromaticContact CD2-CE1 3.74Å; F53-H303 AromaticContact CD2-CG 3.69Å; F53-H303 AromaticContact CD2-ND1 3.27Å; F53-H303 VanDerWaalsContact CD2-ND1 3.27Å; F53-H303 WeakPolarHBondContact CD2-ND1 3.37Å; F53-H303 HydrophobicContact CE1-CB 3.66Å; F53-H303 WeakPolarHBondContact CE1-O 3.04Å; F53-H303 HydrophobicContact CE2-CB 4.16Å; F53-H303 AromaticContact CE2-ND1 3.6Å; F53-H303 HydrophobicContact CG-CB 3.95Å; F53-H303 AromaticContact CG-CD2 3.94Å; F53-H303 AromaticContact CG-CG 3.57Å; F53-H303 AromaticContact CG-ND1 3.66Å; F53-H303 HydrophobicContact CZ-CB 3.9Å; G297-H303 PolarHBondContact O-ND1 3.01Å; V298-H303 HydrophobicContact CG1-CB 4.32Å; R299-H303 PolarHBondContact N-ND1 2.79Å; R300-H303 WeakPolarHBondContact O-CB 3.38Å; R300-H303 PolarHBondContact O-N 3.46Å; R300-H303 VanDerWaalsContact O-N 3.07Å; H303-A307 WeakPolarHBondContact O-CB 3.41Å; H303-A307 PolarHBondContact O-N 3.47Å
304V98Very high96.9Very high0 Ų017.7 Ų17.70%09%0.094CC..Hα-helixtrans-64.1-49.3174.9179.10000110.2P83 I84 V298 R300 G301 E302 K306 A307 L308 V315 L344P83-V304 HydrophobicContact CG-CG1 4.37Å; I84-V304 HydrophobicContact CD1-CG1 4.28Å; I84-V304 HydrophobicContact CD1-CG2 3.92Å; I84-V304 HydrophobicContact CG1-CG1 3.83Å; I84-V304 HydrophobicContact CG1-CG2 4.05Å; V298-V304 HydrophobicContact CG1-CG2 3.77Å; R300-V304 PolarHBondContact O-N 3.47Å; G301-V304 WeakPolarHBondContact O-CB 3.28Å; G301-V304 PolarHBondContact O-N 3Å; E302-V304 VanDerWaalsContact C-N 3.3Å; E302-V304 PolarHBondContact O-N 3.13Å; V304-K306 PolarHBondContact O-N 2.83Å; V304-A307 PolarHBondContact O-N 3.07Å; V304-L308 HydrophobicContact CG1-CD1 3.89Å; V304-L308 HydrophobicContact CG1-CG 4.49Å; V304-L308 WeakPolarHBondContact O-CG 3.41Å; V304-L308 PolarHBondContact O-N 2.77Å; V304-V315 HydrophobicContact CB-CG1 4.45Å; V304-V315 HydrophobicContact CG1-CB 4.05Å; V304-V315 HydrophobicContact CG1-CG1 4.38Å; V304-V315 HydrophobicContact CG1-CG2 4.01Å; V304-V315 HydrophobicContact CG2-CG1 4.01Å; V304-L344 HydrophobicContact CB-CD1 4.3Å; V304-L344 HydrophobicContact CG1-CD1 4.12Å; V304-L344 HydrophobicContact CG1-CD2 3.86Å
305F96.4Very high96.9Very high13 Ų1317.7 Ų17.76%0.0579%0.094CC..Hα-helixtrans-53.6-50.1175-176.6-81.6000111.9I58 G301 E302 A307 L308 A309 L344 T347 M348 A351 L360I58-F305 HydrophobicContact CD1-CD1 3.56Å; I58-F305 HydrophobicContact CD1-CE1 4.04Å; I58-F305 HydrophobicContact CD1-CG 4.23Å; I58-F305 HydrophobicContact CG1-CD1 3.91Å; I58-F305 HydrophobicContact CG1-CE1 4.02Å; I58-F305 HydrophobicContact CG2-CD1 4.44Å; I58-F305 HydrophobicContact CG2-CE1 3.83Å; I58-F305 HydrophobicContact CG2-CZ 4.32Å; G301-F305 PolarHBondContact O-N 3.5Å; E302-F305 WeakPolarHBondContact O-CB 3.37Å; E302-F305 PolarHBondContact O-N 3.19Å; F305-A307 PolarHBondContact O-N 2.81Å; F305-L308 PolarHBondContact O-N 2.77Å; F305-A309 WeakPolarHBondContact O-CB 3.24Å; F305-A309 PolarHBondContact O-N 2.86Å; F305-L344 HydrophobicContact CB-CD1 3.95Å; F305-T347 HydrophobicContact CB-CG2 3.79Å; F305-T347 HydrophobicContact CD1-CG2 4.27Å; F305-T347 HydrophobicContact CD2-CG2 3.91Å; F305-T347 HydrophobicContact CG-CG2 3.72Å; F305-M348 HydrophobicContact CD2-CG 3.72Å; F305-M348 HydrophobicContact CE2-CG 3.98Å; F305-A351 HydrophobicContact CE1-CB 4.12Å; F305-A351 HydrophobicContact CE2-CB 3.58Å; F305-A351 HydrophobicContact CZ-CB 3.32Å; F305-L360 HydrophobicContact CD2-CD2 3.93Å; F305-L360 HydrophobicContact CE1-CD2 4.31Å; F305-L360 HydrophobicContact CE2-CD2 3.26Å; F305-L360 HydrophobicContact CZ-CD2 3.47Å; F305-L360 VanDerWaalsContact CZ-CD2 3.47Å
306K95.7Very high96.9Very high16 Ų1617.3 Ų17.37%0.079%0.092CC..Hα-helixtrans-63-37.8179.8-74173.6-174.1165.40113F53 K56 I58 F276 E302 V304 S310F53-K306 HydrophobicContact CB-CD 4.42Å; F53-K306 HydrophobicContact CD1-CB 4.26Å; F53-K306 HydrophobicContact CD1-CD 4.36Å; F53-K306 PolarHBondContact O-NZ 2.96Å; K56-K306 HydrophobicContact CB-CD 4.4Å; K56-K306 WeakPolarHBondContact O-CE 3.45Å; K56-K306 PolarHBondContact O-NZ 3.38Å; K56-K306 VanDerWaalsContact O-NZ 3.12Å; I58-K306 HydrophobicContact CD1-CG 4.23Å; I58-K306 HydrophobicContact CG1-CG 4.1Å; F276-K306 HydrophobicContact CE2-CB 4.08Å; F276-K306 HydrophobicContact CZ-CB 3.87Å; E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 WeakPolarHBondContact O-CG 3.4Å; E302-K306 PolarHBondContact O-N 3.16Å; E302-K306 IonicContact OE1-NZ 3.81Å; E302-K306 PolarHBondContact OE1-NZ 3.47Å; E302-K306 VanDerWaalsContact OE2-CD 3.23Å; E302-K306 WeakPolarHBondContact OE2-CD 3.37Å; E302-K306 WeakPolarHBondContact OE2-CE 3.26Å; E302-K306 IonicContact OE2-NZ 2.67Å; E302-K306 PolarHBondContact OE2-NZ 3.47Å; V304-K306 PolarHBondContact O-N 2.83Å; K306-S310 VanDerWaalsContact O-CB 3.27Å; K306-S310 WeakPolarHBondContact O-CB 3.45Å; K306-S310 PolarHBondContact O-N 2.72Å; K306-S310 PolarHBondContact O-OG 2.84Å
307A97.1Very high96.9Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-67-44.3176.800000112.1L279 F294 H303 V304 F305 S310 G311 A312 V315L279-A307 HydrophobicContact CD2-CB 4.19Å; F294-A307 HydrophobicContact CD1-CB 3.39Å; F294-A307 HydrophobicContact CE1-CB 3.7Å; F294-A307 HydrophobicContact CG-CB 4.18Å; H303-A307 WeakPolarHBondContact O-CB 3.41Å; H303-A307 PolarHBondContact O-N 3.47Å; V304-A307 PolarHBondContact O-N 3.07Å; F305-A307 PolarHBondContact O-N 2.81Å; A307-S310 CarbonylContact O-C 2.79Å; A307-S310 PolarHBondContact O-N 3.31Å; A307-S310 VanDerWaalsContact O-N 3.16Å; A307-G311 PolarHBondContact O-N 3.05Å; A307-A312 WeakPolarHBondContact O-CB 3.32Å; A307-A312 PolarHBondContact O-N 2.63Å; A307-A312 VanDerWaalsContact O-N 3.13Å; A307-V315 HydrophobicContact CB-CG2 3.71Å
308L95.7Very high96.9Very high2 Ų217.5 Ų17.51%0.0110%0.095CC..Hα-helixtrans-63.4-46.1176.1-64.5167.3000111.4P83 V304 F305 S310 G311 A312 V315 I356 L360P83-L308 HydrophobicContact CB-CD1 3.93Å; P83-L308 HydrophobicContact CB-CD2 4Å; P83-L308 HydrophobicContact CG-CD1 3.66Å; V304-L308 HydrophobicContact CG1-CD1 3.89Å; V304-L308 HydrophobicContact CG1-CG 4.49Å; V304-L308 WeakPolarHBondContact O-CG 3.41Å; V304-L308 PolarHBondContact O-N 2.77Å; F305-L308 PolarHBondContact O-N 2.77Å; L308-S310 PolarHBondContact O-N 3.23Å; L308-G311 PolarHBondContact O-N 3.19Å; L308-A312 WeakPolarHBondContact CD2-O 3.42Å; L308-V315 HydrophobicContact CD2-CG2 4.04Å; L308-V315 HydrophobicContact CG-CG2 4.01Å; L308-I356 HydrophobicContact CD1-CD1 4.36Å; L308-I356 HydrophobicContact CD1-CG2 4.44Å; L308-L360 HydrophobicContact CB-CD1 4.2Å; L308-L360 HydrophobicContact CD1-CD1 4.46Å
309A92.7Very high96.9Very high37 Ų3718.6 Ų18.631%0.30610%0.098SC..Hα-helixtrans-64.7-22.8174.500000113.5F305 G311 L360F305-A309 WeakPolarHBondContact O-CB 3.24Å; F305-A309 PolarHBondContact O-N 2.86Å; A309-G311 VanDerWaalsContact C-N 3.28Å; A309-L360 WeakPolarHBondContact CA-O 3.42Å
310S93.1Very high96.9Very high23 Ų2316.8 Ų16.816%0.1619%0.092CC..THydrogen-bonded Turntrans-840.1173-59.20000113.6F276 T283 K306 A307 L308F276-S310 WeakPolarHBondContact CE2-OG 3.4Å; T283-S310 WeakPolarHBondContact CG2-O 3.47Å; T283-S310 PolarHBondContact OG1-O 3.11Å; K306-S310 VanDerWaalsContact O-CB 3.27Å; K306-S310 WeakPolarHBondContact O-CB 3.45Å; K306-S310 PolarHBondContact O-N 2.72Å; K306-S310 PolarHBondContact O-OG 2.84Å; A307-S310 CarbonylContact O-C 2.79Å; A307-S310 PolarHBondContact O-N 3.31Å; A307-S310 VanDerWaalsContact O-N 3.16Å; L308-S310 PolarHBondContact O-N 3.23Å
311G92.4Very high96.9Very high15 Ų1511.9 Ų11.916%0.1557%0.073CC..THydrogen-bonded Turntrans111.72171.400000116A307 L308 A309A307-G311 PolarHBondContact O-N 3.05Å; L308-G311 PolarHBondContact O-N 3.19Å; A309-G311 VanDerWaalsContact C-N 3.28Å
312A96.7Very high96.9Very high0 Ų012.4 Ų12.40%08%0.076CC..  trans-67.6148.6172.600000111.9L279 F294 A307 L308L279-A312 HydrophobicContact CD1-CB 4.45Å; L279-A312 HydrophobicContact CD2-CB 4.38Å; F294-A312 HydrophobicContact CB-CB 3.82Å; A307-A312 WeakPolarHBondContact O-CB 3.32Å; A307-A312 PolarHBondContact O-N 2.63Å; A307-A312 VanDerWaalsContact O-N 3.13Å; L308-A312 WeakPolarHBondContact CD2-O 3.42Å
313D95.9Very high97Very high38 Ų3810.6 Ų10.620%0.2037%0.067CC..SBendtrans-89-39.6170-68.5-83.2000111.7P291 I292 R361P291-D313 WeakPolarHBondContact CA-OD2 3.44Å; P291-D313 HydrophobicContact CB-CB 4.3Å; I292-D313 PolarHBondContact N-OD2 2.93Å; I292-D313 PolarHBondContact O-N 2.85Å; D313-R361 VanDerWaalsContact CG-NH1 3.27Å; D313-R361 IonicContact OD1-CZ 2.92Å; D313-R361 IonicContact OD1-NH1 3.97Å; D313-R361 PolarHBondContact OD1-NH1 3.21Å; D313-R361 IonicContact OD1-NH2 2.45Å; D313-R361 PolarHBondContact OD1-NH2 3.2Å; D313-R361 IonicContact OD2-NH1 3.57Å
314L98.2Very high97Very high3 Ų310 Ų102%0.0167%0.065CC..EExtended strand (participates in β ladder)trans-138152.4179.7-61.4175.5000111T73 L75 L80 P83 I85 I113 I292 V293 F294T73-L314 HydrophobicContact CG2-CD2 3.9Å; L75-L314 HydrophobicContact CB-CD1 4.22Å; L75-L314 HydrophobicContact CD2-CD1 3.69Å; L75-L314 HydrophobicContact CG-CD1 4.48Å; L80-L314 HydrophobicContact CD1-CD1 4.21Å; L80-L314 HydrophobicContact CD1-CD2 3.73Å; P83-L314 HydrophobicContact CB-CD2 4.39Å; P83-L314 WeakPolarHBondContact O-CA 3.43Å; I85-L314 HydrophobicContact CD1-CB 4.42Å; I85-L314 HydrophobicContact CD1-CD1 4.25Å; I85-L314 HydrophobicContact CG2-CB 4.42Å; I85-L314 HydrophobicContact CG2-CD1 4Å; I85-L314 HydrophobicContact CG2-CD2 4.36Å; I113-L314 HydrophobicContact CD1-CD1 4.03Å; I292-L314 PolarHBondContact O-N 3.17Å; V293-L314 WeakPolarHBondContact CA-O 3.33Å; V293-L314 HydrophobicContact CG2-CB 4.33Å; F294-L314 PolarHBondContact N-O 3Å
315V98.7Very high97Very high0 Ų010 Ų100%07%0.065CC..EExtended strand (participates in β ladder)trans-123.3113.3-177.6179.60000110P83 I84 I85 F294 V298 V304 A307 L308P83-V315 PolarHBondContact O-N 2.85Å; I84-V315 CarbonylContact C-O 3.56Å; I84-V315 VanDerWaalsContact CA-O 3.26Å; I84-V315 WeakPolarHBondContact CA-O 3.3Å; I85-V315 PolarHBondContact N-O 3.12Å; F294-V315 HydrophobicContact CD1-CG1 4.15Å; F294-V315 HydrophobicContact CD1-CG2 4.44Å; F294-V315 CarbonylContact O-C 3.52Å; F294-V315 WeakPolarHBondContact O-CA 3.39Å; V298-V315 HydrophobicContact CB-CG1 4.46Å; V298-V315 HydrophobicContact CG1-CG1 4.1Å; V298-V315 HydrophobicContact CG2-CG1 3.62Å; V304-V315 HydrophobicContact CB-CG1 4.45Å; V304-V315 HydrophobicContact CG1-CB 4.05Å; V304-V315 HydrophobicContact CG1-CG1 4.38Å; V304-V315 HydrophobicContact CG1-CG2 4.01Å; V304-V315 HydrophobicContact CG2-CG1 4.01Å; A307-V315 HydrophobicContact CB-CG2 3.71Å; L308-V315 HydrophobicContact CD2-CG2 4.04Å; L308-V315 HydrophobicContact CG-CG2 4.01Å
316A98.9Very high97.1Very high1 Ų19.6 Ų9.61%0.0086%0.063CC..EExtended strand (participates in β ladder)trans-95.9138.7-173.100000113I85 A87 W260 V293 F294 D295I85-A316 HydrophobicContact CD1-CB 4.13Å; I85-A316 HydrophobicContact CG1-CB 3.54Å; I85-A316 CarbonylContact O-C 3.57Å; I85-A316 VanDerWaalsContact O-CA 3.27Å; I85-A316 WeakPolarHBondContact O-CA 3.3Å; A87-A316 HydrophobicContact CB-CB 3.72Å; W260-A316 HydrophobicContact CH2-CB 4.04Å; W260-A316 HydrophobicContact CZ2-CB 3.45Å; W260-A316 VanDerWaalsContact CZ2-CB 3.45Å; V293-A316 HydrophobicContact CG1-CB 3.92Å; F294-A316 PolarHBondContact O-N 2.77Å; D295-A316 HydrophobicContact CB-CB 4.06Å; D295-A316 WeakPolarHBondContact CB-O 3.21Å
317I98.5Very high97.3Very high4 Ų49.1 Ų9.12%0.0216%0.061CC..EExtended strand (participates in β ladder)trans-119128.4179.949.9167.1000112.2I84 I85 A87 V298 V321 V336 F337 L340I84-I317 HydrophobicContact CG2-CD1 3.7Å; I84-I317 HydrophobicContact CG2-CG1 3.77Å; I84-I317 HydrophobicContact CG2-CG2 4.4Å; I85-I317 WeakPolarHBondContact O-CG1 3.38Å; I85-I317 PolarHBondContact O-N 2.9Å; A87-I317 PolarHBondContact N-O 2.99Å; V298-I317 HydrophobicContact CB-CG2 4.05Å; V298-I317 HydrophobicContact CG1-CG2 3.72Å; I317-V321 HydrophobicContact CB-CG2 4.29Å; I317-V321 HydrophobicContact CD1-CG2 3.62Å; I317-V321 HydrophobicContact CG1-CG2 3.64Å; I317-V321 WeakPolarHBondContact O-CG2 3.39Å; I317-V336 HydrophobicContact CD1-CG1 4.13Å; I317-F337 HydrophobicContact CD1-CD2 4.32Å; I317-F337 HydrophobicContact CD1-CE1 4.37Å; I317-F337 HydrophobicContact CD1-CE2 3.95Å; I317-F337 HydrophobicContact CD1-CZ 3.98Å; I317-F337 HydrophobicContact CG1-CZ 4.19Å; I317-L340 HydrophobicContact CD1-CD1 3.75Å; I317-L340 HydrophobicContact CG2-CD1 4.3Å
318G98Very high97.3Very high17 Ų179.1 Ų9.118%0.1756%0.061CC..SBendtrans-101.9-96.6178.200000112.2P320 V321 I322G318-P320 VanDerWaalsContact C-N 3.32Å; G318-P320 WeakPolarHBondContact O-CD 3.21Å; G318-V321 WeakPolarHBondContact O-CB 3.35Å; G318-V321 PolarHBondContact O-N 3.25Å; G318-I322 PolarHBondContact O-N 2.87Å
319R97.9Very high97.5Very high25 Ų259 Ų99%0.0946%0.061CC..Hα-helixtrans-40.7-43.9-177.6-63.1-180-179.2103.9-21.5115.8I36 R37 G38 M46 G265 R267 V321 I322 Y323I36-R319 PolarHBondContact O-NE 3.13Å; R37-R319 PolarHBondContact O-NE 3.12Å; R37-R319 PolarHBondContact O-NH2 3.17Å; R37-R319 VanDerWaalsContact O-NH2 3.16Å; G38-R319 PolarHBondContact O-NH2 2.94Å; M46-R319 PolarHBondContact SD-NH2 2.89Å; G265-R319 PolarHBondContact O-NH1 3.25Å; G265-R319 PolarHBondContact O-NH2 3.42Å; R267-R319 VanDerWaalsContact CG-NH2 3.32Å; R319-V321 VanDerWaalsContact C-N 3.3Å; R319-V321 PolarHBondContact O-N 2.56Å; R319-I322 PolarHBondContact O-N 2.95Å; R319-I322 VanDerWaalsContact O-N 3.14Å; R319-Y323 HydrophobicContact CB-CE1 4.45Å; R319-Y323 HydrophobicContact CB-CE2 4.35Å; R319-Y323 WeakPolarHBondContact O-CD1 3.3Å; R319-Y323 VanDerWaalsContact O-CG 3.27Å; R319-Y323 PolarHBondContact O-N 3.36Å
320P98.5Very high97.7Very high2 Ų27.3 Ų7.31%0.0135%0.046CC..Hα-helixtrans-54.8-40.4175.1-29.138.4000114.5I17 G318 Y323 G324 V336I17-P320 HydrophobicContact CG2-CB 3.66Å; I17-P320 HydrophobicContact CG2-CG 3.72Å; G318-P320 VanDerWaalsContact C-N 3.32Å; G318-P320 WeakPolarHBondContact O-CD 3.21Å; P320-Y323 PolarHBondContact O-N 3.12Å; P320-G324 PolarHBondContact O-N 2.97Å; P320-V336 HydrophobicContact CB-CG1 3.95Å
321V98.7Very high98Very high1 Ų110.1 Ų10.11%0.0066%0.057CC..Hα-helixtrans-65.2-43.2177.9-179.60000110.3Q86 T103 I317 G318 R319 Y323 G324 L325 V333 F337Q86-V321 HydrophobicContact CG-CB 4.45Å; Q86-V321 HydrophobicContact CG-CG1 4.05Å; Q86-V321 HydrophobicContact CG-CG2 4.25Å; T103-V321 HydrophobicContact CG2-CG1 3.68Å; I317-V321 HydrophobicContact CB-CG2 4.29Å; I317-V321 HydrophobicContact CD1-CG2 3.62Å; I317-V321 HydrophobicContact CG1-CG2 3.64Å; I317-V321 WeakPolarHBondContact O-CG2 3.39Å; G318-V321 WeakPolarHBondContact O-CB 3.35Å; G318-V321 PolarHBondContact O-N 3.25Å; R319-V321 VanDerWaalsContact C-N 3.3Å; R319-V321 PolarHBondContact O-N 2.56Å; V321-Y323 VanDerWaalsContact C-N 3.29Å; V321-Y323 PolarHBondContact O-N 3.47Å; V321-G324 PolarHBondContact O-N 3.45Å; V321-G324 VanDerWaalsContact O-N 3.14Å; V321-L325 WeakPolarHBondContact O-CB 3.41Å; V321-L325 PolarHBondContact O-N 3.11Å; V321-V333 HydrophobicContact CG1-CG1 3.91Å; V321-V333 HydrophobicContact CG1-CG2 3.94Å; V321-F337 HydrophobicContact CG2-CE2 3.82Å; V321-F337 HydrophobicContact CG2-CZ 4.37Å
322I98.5Very high98.3Very high12 Ų129.4 Ų9.46%0.0625%0.05CC..Hα-helixtrans-64.6-35.5177.7-50.5173.9000111.1I36 A95 G318 R319 N326I36-I322 HydrophobicContact CD1-CG2 3.73Å; I36-I322 HydrophobicContact CG1-CG2 4.46Å; I36-I322 HydrophobicContact CG2-CB 4.21Å; I36-I322 HydrophobicContact CG2-CD1 4Å; I36-I322 HydrophobicContact CG2-CG2 3.72Å; A95-I322 HydrophobicContact CB-CG2 3.55Å; G318-I322 PolarHBondContact O-N 2.87Å; R319-I322 PolarHBondContact O-N 2.95Å; R319-I322 VanDerWaalsContact O-N 3.14Å; I322-N326 WeakPolarHBondContact O-CB 3.49Å; I322-N326 PolarHBondContact O-N 3.43Å
323Y98.7Very high98.4Very high2 Ų29.4 Ų9.41%0.0085%0.05CC..Hα-helixtrans-68-38.7173.5-58.1-19.9000111.8L20 E21 V24 I36 R319 P320 V321 L327L20-Y323 HydrophobicContact CB-CD2 4.07Å; L20-Y323 HydrophobicContact CB-CG 4.4Å; E21-Y323 HydrophobicContact CB-CD2 4.35Å; E21-Y323 HydrophobicContact CB-CE2 3.62Å; E21-Y323 VanDerWaalsContact CD-OH 3.28Å; E21-Y323 HydrophobicContact CG-CE2 4.12Å; E21-Y323 WeakPolarHBondContact CG-OH 3.38Å; E21-Y323 PolarHBondContact OE2-OH 3.06Å; V24-Y323 HydrophobicContact CB-CD1 4.35Å; V24-Y323 HydrophobicContact CG1-CD1 4.33Å; V24-Y323 HydrophobicContact CG2-CD1 4.01Å; V24-Y323 HydrophobicContact CG2-CG 4.11Å; I36-Y323 HydrophobicContact CG2-CE1 4.23Å; R319-Y323 HydrophobicContact CB-CE1 4.45Å; R319-Y323 HydrophobicContact CB-CE2 4.35Å; R319-Y323 WeakPolarHBondContact O-CD1 3.3Å; R319-Y323 VanDerWaalsContact O-CG 3.27Å; R319-Y323 PolarHBondContact O-N 3.36Å; P320-Y323 PolarHBondContact O-N 3.12Å; V321-Y323 VanDerWaalsContact C-N 3.29Å; V321-Y323 PolarHBondContact O-N 3.47Å; Y323-L327 WeakPolarHBondContact O-CB 3.21Å; Y323-L327 WeakPolarHBondContact O-CD1 3.42Å; Y323-L327 WeakPolarHBondContact O-CG 3.47Å; Y323-L327 PolarHBondContact O-N 2.7Å
324G98.7Very high98.6Very high0 Ų010.7 Ų10.70%05%0.053CC..Hα-helixtrans-61.7-51.3171.200000112.6P320 V321 N326 L327 G328 G332P320-G324 PolarHBondContact O-N 2.97Å; V321-G324 PolarHBondContact O-N 3.45Å; V321-G324 VanDerWaalsContact O-N 3.14Å; G324-N326 VanDerWaalsContact C-N 3.32Å; G324-N326 PolarHBondContact O-N 2.91Å; G324-L327 PolarHBondContact O-N 2.97Å; G324-L327 VanDerWaalsContact O-N 3.07Å; G324-G328 PolarHBondContact O-N 3.4Å; G324-G332 WeakPolarHBondContact CA-O 3.28Å; G324-G332 CarbonylContact O-C 3.56Å; G324-G332 WeakPolarHBondContact O-CA 3.47Å
325L98.7Very high98.6Very high0 Ų011.2 Ų11.20%06%0.058CC..Hα-helixtrans-53.2-47175.6178.468.4000111.8Q92 A95 H96 D102 V321 G329 V333Q92-L325 HydrophobicContact CB-CD2 3.79Å; A95-L325 HydrophobicContact CB-CD2 4.1Å; A95-L325 HydrophobicContact CB-CG 4.49Å; H96-L325 HydrophobicContact CB-CD1 3.83Å; H96-L325 HydrophobicContact CB-CD2 4.28Å; H96-L325 HydrophobicContact CB-CG 3.65Å; H96-L325 PolarHBondContact CD2-O 2.9Å; D102-L325 HydrophobicContact CB-CD1 3.74Å; V321-L325 WeakPolarHBondContact O-CB 3.41Å; V321-L325 PolarHBondContact O-N 3.11Å; L325-G329 WeakPolarHBondContact O-CA 3.39Å; L325-G329 PolarHBondContact O-N 3.44Å; L325-V333 HydrophobicContact CB-CG2 3.63Å; L325-V333 HydrophobicContact CD1-CG2 4.2Å
326N98.6Very high98.6Very high3 Ų311.2 Ų11.22%0.0166%0.058CC..Hα-helixtrans-61.4-49.5175-179.2-103.3000111.3S6 V24 R27 A95 I322 G324 G328S6-N326 WeakPolarHBondContact CB-O 3.46Å; S6-N326 PolarHBondContact OG-O 3.31Å; V24-N326 HydrophobicContact CG1-CB 4.34Å; V24-N326 HydrophobicContact CG2-CB 4.2Å; R27-N326 PolarHBondContact NE-OD1 3.27Å; R27-N326 PolarHBondContact NH2-O 3.44Å; A95-N326 HydrophobicContact CB-CB 4.11Å; A95-N326 PolarHBondContact O-ND2 2.81Å; I322-N326 WeakPolarHBondContact O-CB 3.49Å; I322-N326 PolarHBondContact O-N 3.43Å; G324-N326 VanDerWaalsContact C-N 3.32Å; G324-N326 PolarHBondContact O-N 2.91Å; N326-G328 PolarHBondContact O-N 2.85Å
327L98.5Very high98.6Very high7 Ų711.2 Ų11.24%0.0376%0.057CC..Hα-helixtrans-77.2-12.9-169.8-70.6169.1000115.5H10 I12 L20 R23 V24 Y323 G324H10-L327 PolarHBondContact CE1-O 3.41Å; H10-L327 VanDerWaalsContact CE1-O 3.32Å; I12-L327 HydrophobicContact CD1-CB 3.94Å; I12-L327 HydrophobicContact CD1-CD1 4.22Å; I12-L327 HydrophobicContact CG2-CB 4.02Å; I12-L327 VanDerWaalsContact CG2-O 3.31Å; I12-L327 WeakPolarHBondContact CG2-O 3.3Å; L20-L327 HydrophobicContact CB-CD1 4.13Å; L20-L327 HydrophobicContact CD2-CD1 3.86Å; L20-L327 HydrophobicContact CG-CD1 4.48Å; R23-L327 HydrophobicContact CB-CD1 4.1Å; R23-L327 HydrophobicContact CB-CD2 3.91Å; V24-L327 HydrophobicContact CG2-CD1 3.98Å; V24-L327 HydrophobicContact CG2-CD2 4.26Å; V24-L327 HydrophobicContact CG2-CG 3.82Å; Y323-L327 WeakPolarHBondContact O-CB 3.21Å; Y323-L327 WeakPolarHBondContact O-CD1 3.42Å; Y323-L327 WeakPolarHBondContact O-CG 3.47Å; Y323-L327 PolarHBondContact O-N 2.7Å; G324-L327 PolarHBondContact O-N 2.97Å; G324-L327 VanDerWaalsContact O-N 3.07Å
328G98.4Very high98.6Very high0 Ų014.4 Ų14.40%07%0.074CC..Hα-helixtrans-173.423.3-178.200000116E8 H10 G324 N326 E331 G332E8-G328 CarbonylContact O-C 3.08Å; H10-G328 PolarHBondContact N-O 3.09Å; H10-G328 VanDerWaalsContact N-O 3.14Å; H10-G328 WeakPolarHBondContact O-CA 3.4Å; G324-G328 PolarHBondContact O-N 3.4Å; N326-G328 PolarHBondContact O-N 2.85Å; G328-E331 PolarHBondContact O-N 3.28Å; G328-G332 PolarHBondContact O-N 2.67Å
329G98.6Very high98.6Very high0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans66.1-139.317300000112.9E8 E9 H96 L325 E331 G332 V333E8-G329 WeakPolarHBondContact O-CA 3.47Å; E8-G329 PolarHBondContact O-N 2.58Å; E9-G329 WeakPolarHBondContact OE2-CA 3.01Å; H96-G329 WeakPolarHBondContact NE2-CA 3.39Å; L325-G329 WeakPolarHBondContact O-CA 3.39Å; L325-G329 PolarHBondContact O-N 3.44Å; G329-E331 VanDerWaalsContact C-N 3.33Å; G329-E331 PolarHBondContact O-N 2.9Å; G329-G332 PolarHBondContact O-N 3.31Å; G329-V333 PolarHBondContact O-N 3.2Å
330A98.6Very high98.7Very high0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-64.3-38.5179.600000111.9E9 D102 K105 G106 V333 K334E9-A330 PolarHBondContact OE2-N 2.64Å; D102-A330 HydrophobicContact CB-CB 4.03Å; D102-A330 WeakPolarHBondContact O-CA 3.5Å; D102-A330 WeakPolarHBondContact O-CB 3.45Å; K105-A330 HydrophobicContact CB-CB 4.23Å; K105-A330 HydrophobicContact CD-CB 3.73Å; K105-A330 HydrophobicContact CG-CB 4.1Å; G106-A330 WeakPolarHBondContact CA-O 3.47Å; A330-V333 PolarHBondContact O-N 2.73Å; A330-K334 PolarHBondContact O-N 2.85Å
331E98.8Very high98.7Very high83 Ų8314.5 Ų14.539%0.3887%0.072SC..Hα-helixtrans-71.1-32.4176.9-65.5-168.5-100.100111.9H10 P11 G328 G329 K334 S335H10-E331 VanDerWaalsContact C-CB 3.44Å; P11-E331 VanDerWaalsContact CD-OE2 3.32Å; P11-E331 WeakPolarHBondContact CD-OE2 3.11Å; P11-E331 HydrophobicContact CG-CB 4.36Å; P11-E331 VanDerWaalsContact CG-OE2 3.3Å; P11-E331 WeakPolarHBondContact CG-OE2 3.34Å; G328-E331 PolarHBondContact O-N 3.28Å; G329-E331 VanDerWaalsContact C-N 3.33Å; G329-E331 PolarHBondContact O-N 2.9Å; E331-K334 PolarHBondContact O-N 3.22Å; E331-S335 WeakPolarHBondContact O-CB 3.3Å; E331-S335 PolarHBondContact O-N 3.12Å; E331-S335 PolarHBondContact O-OG 3.44Å
332G98.8Very high98.7Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-66.2-40171.400000113H10 G324 G328 G329 V336H10-G332 PolarHBondContact O-N 3.18Å; G324-G332 WeakPolarHBondContact CA-O 3.28Å; G324-G332 CarbonylContact O-C 3.56Å; G324-G332 WeakPolarHBondContact O-CA 3.47Å; G328-G332 PolarHBondContact O-N 2.67Å; G329-G332 PolarHBondContact O-N 3.31Å; G332-V336 PolarHBondContact O-N 3.32Å
333V98.8Very high98.7Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-60.7-52169.5166.30000110.7V107 V321 L325 G329 A330 S335 V336 F337V107-V333 HydrophobicContact CG2-CG1 3.92Å; V321-V333 HydrophobicContact CG1-CG1 3.91Å; V321-V333 HydrophobicContact CG1-CG2 3.94Å; L325-V333 HydrophobicContact CB-CG2 3.63Å; L325-V333 HydrophobicContact CD1-CG2 4.2Å; G329-V333 PolarHBondContact O-N 3.2Å; A330-V333 PolarHBondContact O-N 2.73Å; V333-S335 VanDerWaalsContact C-N 3.27Å; V333-S335 PolarHBondContact O-N 3.16Å; V333-V336 WeakPolarHBondContact O-CB 3.1Å; V333-V336 PolarHBondContact O-N 3.32Å; V333-V336 VanDerWaalsContact O-N 3.07Å; V333-F337 HydrophobicContact CG1-CD2 4.38Å; V333-F337 HydrophobicContact CG1-CE2 4.29Å; V333-F337 PolarHBondContact O-N 2.9Å
334K98.7Very high98.6Very high64 Ų6422 Ų2228%0.27810%0.104SC..Hα-helixtrans-57.1-42.3179.3-166.6-158.5-179.1-56.40111.7D109 A110 A330 E331 V336 F337 D338D109-K334 HydrophobicContact CB-CD 3.98Å; D109-K334 HydrophobicContact CB-CG 4.12Å; D109-K334 VanDerWaalsContact O-CE 3.25Å; D109-K334 WeakPolarHBondContact O-CE 3.25Å; A110-K334 HydrophobicContact CB-CG 4.47Å; A330-K334 PolarHBondContact O-N 2.85Å; E331-K334 PolarHBondContact O-N 3.22Å; K334-V336 VanDerWaalsContact C-N 3.26Å; K334-V336 PolarHBondContact O-N 3.38Å; K334-F337 PolarHBondContact O-N 3.5Å; K334-F337 VanDerWaalsContact O-N 3.1Å; K334-D338 IonicContact NZ-OD1 3.88Å; K334-D338 PolarHBondContact NZ-OD1 3.02Å; K334-D338 IonicContact NZ-OD2 3.92Å; K334-D338 PolarHBondContact NZ-OD2 2.88Å; K334-D338 PolarHBondContact O-N 3.33Å
335S98.8Very high98.6Very high15 Ų1523.1 Ų23.111%0.10511%0.113CC..Hα-helixtrans-57.2-35.6177.5-59.40000113I12 I14 E331 V333 H339I12-S335 PolarHBondContact N-OG 3.18Å; I12-S335 VanDerWaalsContact N-OG 3.08Å; I14-S335 WeakPolarHBondContact CD1-O 3.42Å; E331-S335 WeakPolarHBondContact O-CB 3.3Å; E331-S335 PolarHBondContact O-N 3.12Å; E331-S335 PolarHBondContact O-OG 3.44Å; V333-S335 VanDerWaalsContact C-N 3.27Å; V333-S335 PolarHBondContact O-N 3.16Å; S335-H339 WeakPolarHBondContact O-CB 3.46Å; S335-H339 PolarHBondContact O-N 3.31Å
336V98.9Very high98.5Very high0 Ų027.1 Ų27.10%013%0.133CC..Hα-helixtrans-67.9-41.7176.5166.40000111.6I14 I17 L20 I317 P320 G332 V333 K334 L340I14-V336 HydrophobicContact CD1-CB 4.42Å; I14-V336 HydrophobicContact CD1-CG2 3.8Å; I17-V336 HydrophobicContact CD1-CG1 4.05Å; L20-V336 HydrophobicContact CD1-CG2 3.97Å; I317-V336 HydrophobicContact CD1-CG1 4.13Å; P320-V336 HydrophobicContact CB-CG1 3.95Å; G332-V336 PolarHBondContact O-N 3.32Å; V333-V336 WeakPolarHBondContact O-CB 3.1Å; V333-V336 PolarHBondContact O-N 3.32Å; V333-V336 VanDerWaalsContact O-N 3.07Å; K334-V336 VanDerWaalsContact C-N 3.26Å; K334-V336 PolarHBondContact O-N 3.38Å; V336-L340 HydrophobicContact CG1-CD1 4.32Å; V336-L340 PolarHBondContact O-N 3.19Å; V336-L340 VanDerWaalsContact O-N 3.14Å
337F98.8Very high98.4Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-66-47.2173.3-80.4-103.6000111.2T82 I84 Q86 V107 A110 I317 V321 V333 K334 H339 L340 N341T82-F337 HydrophobicContact CG2-CD1 4.46Å; I84-F337 HydrophobicContact CB-CD1 4.39Å; I84-F337 HydrophobicContact CB-CE1 4.36Å; I84-F337 HydrophobicContact CG2-CD1 4.07Å; I84-F337 HydrophobicContact CG2-CE1 3.85Å; I84-F337 WeakPolarHBondContact O-CE1 3.33Å; Q86-F337 HydrophobicContact CB-CZ 4.22Å; V107-F337 HydrophobicContact CG1-CZ 4.25Å; V107-F337 HydrophobicContact CG2-CE2 3.74Å; V107-F337 HydrophobicContact CG2-CZ 3.85Å; A110-F337 HydrophobicContact CB-CB 3.56Å; A110-F337 HydrophobicContact CB-CD1 3.96Å; A110-F337 HydrophobicContact CB-CD2 4.43Å; A110-F337 HydrophobicContact CB-CG 3.74Å; I317-F337 HydrophobicContact CD1-CD2 4.32Å; I317-F337 HydrophobicContact CD1-CE1 4.37Å; I317-F337 HydrophobicContact CD1-CE2 3.95Å; I317-F337 HydrophobicContact CD1-CZ 3.98Å; I317-F337 HydrophobicContact CG1-CZ 4.19Å; V321-F337 HydrophobicContact CG2-CE2 3.82Å; V321-F337 HydrophobicContact CG2-CZ 4.37Å; V333-F337 HydrophobicContact CG1-CD2 4.38Å; V333-F337 HydrophobicContact CG1-CE2 4.29Å; V333-F337 PolarHBondContact O-N 2.9Å; K334-F337 PolarHBondContact O-N 3.5Å; K334-F337 VanDerWaalsContact O-N 3.1Å; F337-H339 VanDerWaalsContact C-N 3.3Å; F337-H339 PolarHBondContact O-N 3.09Å; F337-L340 PolarHBondContact O-N 3.28Å; F337-N341 VanDerWaalsContact O-CB 3.24Å; F337-N341 WeakPolarHBondContact O-CB 3.27Å; F337-N341 PolarHBondContact O-N 3.42Å; F337-N341 PolarHBondContact O-ND2 3.39Å
338D98.7Very high98.2Very high71 Ų7127.7 Ų27.738%0.3814%0.137SC..Hα-helixtrans-57.6-41.3177.8-70.7-14.7000112K334 K342K334-D338 IonicContact NZ-OD1 3.88Å; K334-D338 PolarHBondContact NZ-OD1 3.02Å; K334-D338 IonicContact NZ-OD2 3.92Å; K334-D338 PolarHBondContact NZ-OD2 2.88Å; K334-D338 PolarHBondContact O-N 3.33Å; D338-K342 VanDerWaalsContact O-CB 3.3Å; D338-K342 WeakPolarHBondContact O-CB 3.39Å; D338-K342 PolarHBondContact O-N 3.14Å
339H98.8Very high97.9Very high25 Ų2531.2 Ų31.212%0.11615%0.153CC..Hα-helixtrans-65.7-45.6176.617992.5000112.5I14 S335 F337 K342 E343I14-H339 HydrophobicContact CB-CB 4.2Å; I14-H339 HydrophobicContact CD1-CB 3.99Å; I14-H339 HydrophobicContact CG2-CB 4.26Å; I14-H339 WeakPolarHBondContact CG2-ND1 3.11Å; I14-H339 PolarHBondContact O-CE1 3.01Å; I14-H339 PolarHBondContact O-ND1 3.25Å; S335-H339 WeakPolarHBondContact O-CB 3.46Å; S335-H339 PolarHBondContact O-N 3.31Å; F337-H339 VanDerWaalsContact C-N 3.3Å; F337-H339 PolarHBondContact O-N 3.09Å; H339-K342 WeakPolarHBondContact O-CB 3.12Å; H339-K342 PolarHBondContact O-N 3.22Å; H339-E343 PolarHBondContact O-N 3.4Å
340L98.8Very high97.7Very high0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-70.3-37178.3-75.4167.3000112.4I17 I84 I317 V336 F337 K342 E343 L344I17-L340 HydrophobicContact CD1-CD1 4.36Å; I17-L340 HydrophobicContact CD1-CG 4.13Å; I17-L340 HydrophobicContact CG1-CD1 4.4Å; I17-L340 HydrophobicContact CG1-CD2 3.94Å; I17-L340 HydrophobicContact CG1-CG 4.07Å; I84-L340 HydrophobicContact CD1-CB 3.59Å; I317-L340 HydrophobicContact CD1-CD1 3.75Å; I317-L340 HydrophobicContact CG2-CD1 4.3Å; V336-L340 HydrophobicContact CG1-CD1 4.32Å; V336-L340 PolarHBondContact O-N 3.19Å; V336-L340 VanDerWaalsContact O-N 3.14Å; F337-L340 PolarHBondContact O-N 3.28Å; L340-K342 VanDerWaalsContact C-N 3.33Å; L340-E343 PolarHBondContact O-N 2.82Å; L340-L344 VanDerWaalsContact O-CB 3.27Å; L340-L344 WeakPolarHBondContact O-CB 3.42Å; L340-L344 PolarHBondContact O-N 3.18Å
341N98.6Very high97.4Very high22 Ų2237 Ų3712%0.11818%0.184CC..Hα-helixtrans-60.4-42.7171.8-74.8-17.7000111L71 T82 F337 L344 S345L71-N341 HydrophobicContact CD1-CB 3.64Å; L71-N341 WeakPolarHBondContact CD1-O 3.3Å; T82-N341 VanDerWaalsContact CB-OD1 3.26Å; T82-N341 WeakPolarHBondContact CB-OD1 3.28Å; T82-N341 PolarHBondContact OG1-OD1 2.94Å; F337-N341 VanDerWaalsContact O-CB 3.24Å; F337-N341 WeakPolarHBondContact O-CB 3.27Å; F337-N341 PolarHBondContact O-N 3.42Å; F337-N341 PolarHBondContact O-ND2 3.39Å; N341-L344 PolarHBondContact O-N 3.17Å; N341-S345 WeakPolarHBondContact O-CB 3.28Å; N341-S345 PolarHBondContact O-N 3.13Å
342K98.5Very high97Very high141 Ų14133.2 Ų33.261%0.61317%0.167SC*.Hα-helixtrans-61.3-48.3173.9179.4-177.7177.1-177.20112D338 H339 L340 L344 S345 I346D338-K342 VanDerWaalsContact O-CB 3.3Å; D338-K342 WeakPolarHBondContact O-CB 3.39Å; D338-K342 PolarHBondContact O-N 3.14Å; H339-K342 WeakPolarHBondContact O-CB 3.12Å; H339-K342 PolarHBondContact O-N 3.22Å; L340-K342 VanDerWaalsContact C-N 3.33Å; K342-L344 VanDerWaalsContact C-N 3.34Å; K342-L344 PolarHBondContact O-N 3.28Å; K342-S345 PolarHBondContact O-N 2.78Å; K342-I346 HydrophobicContact CG-CD1 4.06Å; K342-I346 WeakPolarHBondContact O-CD1 3.23Å; K342-I346 VanDerWaalsContact O-CG1 3.27Å; K342-I346 WeakPolarHBondContact O-CG1 3.21Å; K342-I346 PolarHBondContact O-N 3.36Å; K342-I346 VanDerWaalsContact O-N 3.08Å
343E98.5Very high96.6Very high30 Ų3033.2 Ų33.214%0.1417%0.167CC..Hα-helixtrans-63.9-38.2176.4-73.1-154.4138.900112.6R300 G301 H339 L340 T347R300-E343 WeakPolarHBondContact CA-OE2 3.33Å; R300-E343 WeakPolarHBondContact CB-OE2 3.46Å; R300-E343 IonicContact CZ-OE1 3.08Å; R300-E343 IonicContact CZ-OE2 3.54Å; R300-E343 VanDerWaalsContact NE-CD 3.32Å; R300-E343 IonicContact NE-OE1 3.77Å; R300-E343 PolarHBondContact NE-OE1 3.49Å; R300-E343 IonicContact NE-OE2 2.7Å; R300-E343 PolarHBondContact NE-OE2 2.93Å; R300-E343 IonicContact NH2-OE1 2.65Å; R300-E343 PolarHBondContact NH2-OE1 2.73Å; R300-E343 IonicContact NH2-OE2 2.67Å; G301-E343 PolarHBondContact N-OE2 2.68Å; H339-E343 PolarHBondContact O-N 3.4Å; L340-E343 PolarHBondContact O-N 2.82Å; E343-T347 WeakPolarHBondContact O-CB 3.22Å; E343-T347 PolarHBondContact O-N 3.27Å; E343-T347 PolarHBondContact O-OG1 3.26Å
344L97.8Very high96.2Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-65.3-47.7177.4175.861.3000110.9L71 P83 V304 F305 L340 N341 K342 I346 T347 M348 I356L71-L344 HydrophobicContact CD2-CD2 3.93Å; L71-L344 HydrophobicContact CD2-CG 3.91Å; P83-L344 HydrophobicContact CG-CD2 3.79Å; V304-L344 HydrophobicContact CB-CD1 4.3Å; V304-L344 HydrophobicContact CG1-CD1 4.12Å; V304-L344 HydrophobicContact CG1-CD2 3.86Å; F305-L344 HydrophobicContact CB-CD1 3.95Å; L340-L344 VanDerWaalsContact O-CB 3.27Å; L340-L344 WeakPolarHBondContact O-CB 3.42Å; L340-L344 PolarHBondContact O-N 3.18Å; N341-L344 PolarHBondContact O-N 3.17Å; K342-L344 VanDerWaalsContact C-N 3.34Å; K342-L344 PolarHBondContact O-N 3.28Å; L344-I346 VanDerWaalsContact C-N 3.33Å; L344-I346 PolarHBondContact O-N 3.29Å; L344-T347 CarbonylContact O-C 3.53Å; L344-T347 WeakPolarHBondContact O-CB 3.16Å; L344-T347 PolarHBondContact O-N 2.83Å; L344-T347 VanDerWaalsContact O-N 3.07Å; L344-M348 HydrophobicContact CD1-CG 4.08Å; L344-M348 HydrophobicContact CD1-SD 4.09Å; L344-M348 HydrophobicContact CG-CG 4.43Å; L344-M348 HydrophobicContact CG-SD 3.97Å; L344-M348 WeakPolarHBondContact O-CB 3.4Å; L344-M348 WeakPolarHBondContact O-CG 3.38Å; L344-M348 PolarHBondContact O-N 2.93Å; L344-I356 HydrophobicContact CD2-CD1 4.4Å
345S97.3Very high95.9Very high25 Ų2534.9 Ų34.918%0.17518%0.177CC..Hα-helixtrans-60.4-40.5177.9-174.30000112.3N341 K342 Q349N341-S345 WeakPolarHBondContact O-CB 3.28Å; N341-S345 PolarHBondContact O-N 3.13Å; K342-S345 PolarHBondContact O-N 2.78Å; S345-Q349 WeakPolarHBondContact O-CG 3.44Å; S345-Q349 PolarHBondContact O-N 3.14Å; S345-Q349 VanDerWaalsContact O-N 3.13Å; S345-Q349 PolarHBondContact O-NE2 3.03Å; S345-Q349 PolarHBondContact OG-NE2 3.45Å; S345-Q349 VanDerWaalsContact OG-NE2 3.13Å
346I97Very high95.4Very high83 Ų8334.3 Ų34.343%0.42617%0.173SC..Hα-helixtrans-64.1-44.5172.3-68.7165.8000110.7K342 L344 L350K342-I346 HydrophobicContact CG-CD1 4.06Å; K342-I346 WeakPolarHBondContact O-CD1 3.23Å; K342-I346 VanDerWaalsContact O-CG1 3.27Å; K342-I346 WeakPolarHBondContact O-CG1 3.21Å; K342-I346 PolarHBondContact O-N 3.36Å; K342-I346 VanDerWaalsContact O-N 3.08Å; L344-I346 VanDerWaalsContact C-N 3.33Å; L344-I346 PolarHBondContact O-N 3.29Å; I346-L350 HydrophobicContact CG2-CD1 3.78Å; I346-L350 HydrophobicContact CG2-CG 4.45Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.45Å; I346-L350 PolarHBondContact O-N 2.88Å
347T96Very high94.2Very high22 Ų2238.9 Ų38.914%0.13520%0.197CC..Hα-helixtrans-62.9-45.3179.9-550000111.2I58 E302 F305 E343 L344 L350 A351I58-T347 HydrophobicContact CD1-CG2 3.58Å; E302-T347 HydrophobicContact CB-CG2 3.93Å; F305-T347 HydrophobicContact CB-CG2 3.79Å; F305-T347 HydrophobicContact CD1-CG2 4.27Å; F305-T347 HydrophobicContact CD2-CG2 3.91Å; F305-T347 HydrophobicContact CG-CG2 3.72Å; E343-T347 WeakPolarHBondContact O-CB 3.22Å; E343-T347 PolarHBondContact O-N 3.27Å; E343-T347 PolarHBondContact O-OG1 3.26Å; L344-T347 CarbonylContact O-C 3.53Å; L344-T347 WeakPolarHBondContact O-CB 3.16Å; L344-T347 PolarHBondContact O-N 2.83Å; L344-T347 VanDerWaalsContact O-N 3.07Å; T347-L350 PolarHBondContact O-N 3.45Å; T347-A351 WeakPolarHBondContact O-CB 3.4Å; T347-A351 PolarHBondContact O-N 3.47Å
348M94.2Very high92.4Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-59.6-51.3177.9-75.1175.768.200111.9A69 L71 F305 L344 L350 A351 G352 T353 I356A69-M348 HydrophobicContact CB-CB 3.66Å; A69-M348 HydrophobicContact CB-CE 4Å; A69-M348 HydrophobicContact CB-SD 4.13Å; L71-M348 HydrophobicContact CD2-SD 3.51Å; L71-M348 VanDerWaalsContact CD2-SD 3.51Å; F305-M348 HydrophobicContact CD2-CG 3.72Å; F305-M348 HydrophobicContact CE2-CG 3.98Å; L344-M348 HydrophobicContact CD1-CG 4.08Å; L344-M348 HydrophobicContact CD1-SD 4.09Å; L344-M348 HydrophobicContact CG-CG 4.43Å; L344-M348 HydrophobicContact CG-SD 3.97Å; L344-M348 WeakPolarHBondContact O-CB 3.4Å; L344-M348 WeakPolarHBondContact O-CG 3.38Å; L344-M348 PolarHBondContact O-N 2.93Å; M348-L350 VanDerWaalsContact C-N 3.33Å; M348-L350 PolarHBondContact O-N 2.96Å; M348-A351 PolarHBondContact O-N 3.39Å; M348-G352 PolarHBondContact O-N 3.25Å; M348-T353 CarbonylContact C-O 3.58Å; M348-T353 VanDerWaalsContact C-O 3.25Å; M348-T353 WeakPolarHBondContact CB-O 2.94Å; M348-T353 PolarHBondContact O-N 2.98Å; M348-T353 VanDerWaalsContact O-O 3.09Å; M348-I356 HydrophobicContact CE-CD1 3.87Å; M348-I356 HydrophobicContact SD-CD1 3.69Å
349Q93.4Very high90.4Very high75 Ų7543.2 Ų43.235%0.3522%0.215SC..Hα-helixtrans-60.3-40.8178.5-70.8171.861.400112.5I66 A69 S345 G352I66-Q349 HydrophobicContact CG2-CG 4.28Å; A69-Q349 HydrophobicContact CB-CG 3.92Å; S345-Q349 WeakPolarHBondContact O-CG 3.44Å; S345-Q349 PolarHBondContact O-N 3.14Å; S345-Q349 VanDerWaalsContact O-N 3.13Å; S345-Q349 PolarHBondContact O-NE2 3.03Å; S345-Q349 PolarHBondContact OG-NE2 3.45Å; S345-Q349 VanDerWaalsContact OG-NE2 3.13Å; Q349-G352 PolarHBondContact O-N 3.49Å
350L94.1Very high88.2Confident119 Ų11942.2 Ų42.262%0.62321%0.211SC*.Hα-helixtrans-74.5-31.7177.2-68.1175.7000113.2P60 I346 T347 M348 G352P60-L350 WeakPolarHBondContact CB-O 3.45Å; I346-L350 HydrophobicContact CG2-CD1 3.78Å; I346-L350 HydrophobicContact CG2-CG 4.45Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 VanDerWaalsContact O-CG 3.31Å; I346-L350 WeakPolarHBondContact O-CG 3.45Å; I346-L350 PolarHBondContact O-N 2.88Å; T347-L350 PolarHBondContact O-N 3.45Å; M348-L350 VanDerWaalsContact C-N 3.33Å; M348-L350 PolarHBondContact O-N 2.96Å; L350-G352 VanDerWaalsContact C-N 3.26Å
351A92Very high86Confident3 Ų345.1 Ų45.13%0.02522%0.222CC..Hα-helixtrans-70.5-24.7172.300000112.1I58 R61 F305 T347 M348I58-A351 HydrophobicContact CG2-CB 3.68Å; R61-A351 PolarHBondContact N-O 3.29Å; F305-A351 HydrophobicContact CE1-CB 4.12Å; F305-A351 HydrophobicContact CE2-CB 3.58Å; F305-A351 HydrophobicContact CZ-CB 3.32Å; T347-A351 WeakPolarHBondContact O-CB 3.4Å; T347-A351 PolarHBondContact O-N 3.47Å; M348-A351 PolarHBondContact O-N 3.39Å
352G90.7Very high83.7Confident2 Ų245.7 Ų45.72%0.02123%0.225CC..THydrogen-bonded Turntrans90.824.5-17600000113.8R64 I66 M348 Q349 L350R64-G352 WeakPolarHBondContact CD-O 3.45Å; R64-G352 PolarHBondContact NE-O 2.93Å; I66-G352 WeakPolarHBondContact CD1-O 3.25Å; M348-G352 PolarHBondContact O-N 3.25Å; Q349-G352 PolarHBondContact O-N 3.49Å; L350-G352 VanDerWaalsContact C-N 3.26Å
353T89.9Confident81.3Confident0 Ų041.6 Ų41.60%021%0.208CC..  trans-112.9138.2175.5-25.70000110.2M348 E358 L360 E363M348-T353 CarbonylContact C-O 3.58Å; M348-T353 VanDerWaalsContact C-O 3.25Å; M348-T353 WeakPolarHBondContact CB-O 2.94Å; M348-T353 PolarHBondContact O-N 2.98Å; M348-T353 VanDerWaalsContact O-O 3.09Å; T353-E358 WeakPolarHBondContact CG2-O 3.46Å; T353-L360 HydrophobicContact CG2-CD2 3.55Å; T353-L360 HydrophobicContact CG2-CG 3.72Å; T353-L360 WeakPolarHBondContact OG1-CD2 3.28Å; T353-E363 WeakPolarHBondContact CG2-OE2 3.43Å; T353-E363 PolarHBondContact OG1-OE2 2.8Å
354K90.6Very high78.4Confident66 Ų6643.3 Ų43.329%0.28723%0.234SC..  trans-107.2-37.6-174152.1174.3-176.3168.90114.8I66 H68 A69 D70 E358I66-K354 HydrophobicContact CB-CB 4.45Å; I66-K354 HydrophobicContact CD1-CB 3.73Å; I66-K354 HydrophobicContact CG1-CB 3.76Å; I66-K354 HydrophobicContact CG2-CB 3.87Å; H68-K354 PolarHBondContact CE1-NZ 2.68Å; H68-K354 VanDerWaalsContact CE1-NZ 3.27Å; H68-K354 WeakPolarHBondContact NE2-CE 3.2Å; A69-K354 CarbonylContact C-O 3.57Å; A69-K354 VanDerWaalsContact CA-O 3.28Å; A69-K354 WeakPolarHBondContact CA-O 3.45Å; D70-K354 PolarHBondContact N-O 3.07Å; K354-E358 WeakPolarHBondContact CA-OE2 3.35Å; K354-E358 WeakPolarHBondContact CB-OE2 3.5Å; K354-E358 WeakPolarHBondContact CG-OE2 3.41Å; K354-E358 PolarHBondContact N-OE2 2.94Å
355T91.8Very high75.7Confident34 Ų3449.2 Ų49.221%0.20926%0.259CS..BIsolated β-bridgetrans-119.4159.5170.995.30000113D70 N357 E358D70-T355 HydrophobicContact CB-CG2 4.04Å; D70-T355 WeakPolarHBondContact O-CA 3.36Å; T355-N357 PolarHBondContact O-N 3.26Å; T355-N357 PolarHBondContact OG1-N 2.71Å; T355-E358 HydrophobicContact CG2-CB 4.2Å; T355-E358 PolarHBondContact N-OE2 2.88Å; T355-E358 PolarHBondContact O-N 3.46Å; T355-E358 WeakPolarHBondContact OG1-CB 3.47Å; T355-E358 PolarHBondContact OG1-N 2.8Å
356I89.1Confident73.4Confident3 Ų352.1 Ų52.12%0.01528%0.28CS..THydrogen-bonded Turntrans-56.6-33.4175.6-56.4-54000112.4D70 L71 P83 L308 L344 M348D70-I356 PolarHBondContact O-N 2.74Å; L71-I356 HydrophobicContact CD2-CD1 4.42Å; L71-I356 WeakPolarHBondContact O-CG1 3.43Å; P83-I356 HydrophobicContact CB-CG2 4.25Å; P83-I356 HydrophobicContact CG-CD1 3.78Å; P83-I356 HydrophobicContact CG-CG1 4.2Å; L308-I356 HydrophobicContact CD1-CD1 4.36Å; L308-I356 HydrophobicContact CD1-CG2 4.44Å; L344-I356 HydrophobicContact CD2-CD1 4.4Å; M348-I356 HydrophobicContact CE-CD1 3.87Å; M348-I356 HydrophobicContact SD-CD1 3.69Å
357N73.8Confident70.7Confident95 Ų9554.8 Ų54.851%0.50829%0.293SS..THydrogen-bonded Turntrans-100-5.9-178.4-65.9-52.2000113.2T73 T355 E359T73-N357 PolarHBondContact OG1-ND2 3.12Å; T355-N357 PolarHBondContact O-N 3.26Å; T355-N357 PolarHBondContact OG1-N 2.71Å; N357-E359 PolarHBondContact O-N 2.86Å
358E61.8Low68.3Low54 Ų5458.4 Ų58.425%0.25232%0.315SS..SBendtrans-76.571.2173.6-171.7-173.6168.700110R64 T353 K354 T355 L360R64-E358 IonicContact CZ-OE1 3.32Å; R64-E358 IonicContact NH2-OE1 3.63Å; R64-E358 PolarHBondContact NH2-OE1 2.95Å; T353-E358 WeakPolarHBondContact CG2-O 3.46Å; K354-E358 WeakPolarHBondContact CA-OE2 3.35Å; K354-E358 WeakPolarHBondContact CB-OE2 3.5Å; K354-E358 WeakPolarHBondContact CG-OE2 3.41Å; K354-E358 PolarHBondContact N-OE2 2.94Å; T355-E358 HydrophobicContact CG2-CB 4.2Å; T355-E358 PolarHBondContact N-OE2 2.88Å; T355-E358 PolarHBondContact O-N 3.46Å; T355-E358 WeakPolarHBondContact OG1-CB 3.47Å; T355-E358 PolarHBondContact OG1-N 2.8Å; E358-L360 PolarHBondContact O-N 2.96Å
359E54.9Low66.1Low109 Ų10962.7 Ų62.751%0.50934%0.337SS..SBendtrans59.219.8164.8-68.2-169.8177.800116.1N357 R361 D362 E363N357-E359 PolarHBondContact O-N 2.86Å; E359-R361 PolarHBondContact O-N 3.34Å; E359-D362 HydrophobicContact CB-CB 3.7Å; E359-D362 HydrophobicContact CG-CB 3.83Å; E359-D362 CarbonylContact O-C 3.55Å; E359-D362 WeakPolarHBondContact O-CA 3.32Å; E359-D362 PolarHBondContact O-N 3.25Å; E359-E363 WeakPolarHBondContact O-CG 3.48Å; E359-E363 PolarHBondContact O-N 3.32Å
360L53.4Low64.3Low3 Ų364.3 Ų64.32%0.01635%0.352CS..THydrogen-bonded Turntrans-49.4-35.5166.7-79.7177000112.9F305 L308 A309 T353 E358 D362F305-L360 HydrophobicContact CD2-CD2 3.93Å; F305-L360 HydrophobicContact CE1-CD2 4.31Å; F305-L360 HydrophobicContact CE2-CD2 3.26Å; F305-L360 HydrophobicContact CZ-CD2 3.47Å; F305-L360 VanDerWaalsContact CZ-CD2 3.47Å; L308-L360 HydrophobicContact CB-CD1 4.2Å; L308-L360 HydrophobicContact CD1-CD1 4.46Å; A309-L360 WeakPolarHBondContact CA-O 3.42Å; T353-L360 HydrophobicContact CG2-CD2 3.55Å; T353-L360 HydrophobicContact CG2-CG 3.72Å; T353-L360 WeakPolarHBondContact OG1-CD2 3.28Å; E358-L360 PolarHBondContact O-N 2.96Å; L360-D362 VanDerWaalsContact C-N 3.3Å
361R53Low62.4Low61 Ų6161 Ų6123%0.2333%0.333CS..THydrogen-bonded Turntrans-82.8-8.4179.2-47.1-173-160.4-171.313.5113.4D313 E359D313-R361 VanDerWaalsContact CG-NH1 3.27Å; D313-R361 IonicContact OD1-CZ 2.92Å; D313-R361 IonicContact OD1-NH1 3.97Å; D313-R361 PolarHBondContact OD1-NH1 3.21Å; D313-R361 IonicContact OD1-NH2 2.45Å; D313-R361 PolarHBondContact OD1-NH2 3.2Å; D313-R361 IonicContact OD2-NH1 3.57Å; E359-R361 PolarHBondContact O-N 3.34Å
362D49.5Very low60.8Low35 Ų3568.6 Ų68.619%0.18737%0.368CS..THydrogen-bonded Turntrans-121.6-16.8-171.6-78.816.2000111.8K288 E359 L360 G364 K365K288-D362 IonicContact NZ-OD1 3.32Å; E359-D362 HydrophobicContact CB-CB 3.7Å; E359-D362 HydrophobicContact CG-CB 3.83Å; E359-D362 CarbonylContact O-C 3.55Å; E359-D362 WeakPolarHBondContact O-CA 3.32Å; E359-D362 PolarHBondContact O-N 3.25Å; L360-D362 VanDerWaalsContact C-N 3.3Å; D362-G364 PolarHBondContact O-N 3.01Å; D362-K365 HydrophobicContact CB-CD 3.87Å; D362-K365 HydrophobicContact CB-CG 4.41Å; D362-K365 WeakPolarHBondContact O-CB 3.3Å; D362-K365 VanDerWaalsContact O-CG 3.3Å; D362-K365 WeakPolarHBondContact O-CG 3.29Å; D362-K365 PolarHBondContact O-N 3.38Å; D362-K365 WeakPolarHBondContact OD1-CE 3.36Å; D362-K365 IonicContact OD1-NZ 2.69Å; D362-K365 VanDerWaalsContact OD2-CE 3.31Å; D362-K365 WeakPolarHBondContact OD2-CE 3.45Å; D362-K365 IonicContact OD2-NZ 3.99Å; D362-K365 PolarHBondContact OD2-NZ 2.77Å
363E48.7Very low59.6Low55 Ų5571 Ų7126%0.25738%0.38SS..THydrogen-bonded Turntrans-68.8-15166.1-72.2-170.2130.500111.8R64 T353 E359 K365R64-E363 IonicContact CZ-OE1 2.7Å; R64-E363 IonicContact NH1-OE1 3.18Å; R64-E363 PolarHBondContact NH1-OE1 2.7Å; T353-E363 WeakPolarHBondContact CG2-OE2 3.43Å; T353-E363 PolarHBondContact OG1-OE2 2.8Å; E359-E363 WeakPolarHBondContact O-CG 3.48Å; E359-E363 PolarHBondContact O-N 3.32Å; E363-K365 VanDerWaalsContact C-N 3.31Å
364G38.4Very low58.4Low66 Ų6673.8 Ų73.868%0.6840%0.395SS*.THydrogen-bonded Turntrans-80.3-1.4163.300000114.7D362 S366D362-G364 PolarHBondContact O-N 3.01Å; G364-S366 PolarHBondContact O-N 3.46Å
365K41.2Very low57.2Low124 Ų12478.3 Ų78.354%0.53942%0.416SS..  trans-73.6108.4174.3-71.3168.8172173.90110.3D362 E363 I367D362-K365 HydrophobicContact CB-CD 3.87Å; D362-K365 HydrophobicContact CB-CG 4.41Å; D362-K365 WeakPolarHBondContact O-CB 3.3Å; D362-K365 VanDerWaalsContact O-CG 3.3Å; D362-K365 WeakPolarHBondContact O-CG 3.29Å; D362-K365 PolarHBondContact O-N 3.38Å; D362-K365 WeakPolarHBondContact OD1-CE 3.36Å; D362-K365 IonicContact OD1-NZ 2.69Å; D362-K365 VanDerWaalsContact OD2-CE 3.31Å; D362-K365 WeakPolarHBondContact OD2-CE 3.45Å; D362-K365 IonicContact OD2-NZ 3.99Å; D362-K365 PolarHBondContact OD2-NZ 2.77Å; E363-K365 VanDerWaalsContact C-N 3.31Å; K365-I367 PolarHBondContact O-N 2.74Å
366S47.5Very low56.2Low86 Ų8680.9 Ų80.960%0.60143%0.425SS*.  trans-48.9120130.3-54.10000107.4G364 V368G364-S366 PolarHBondContact O-N 3.46Å; S366-V368 PolarHBondContact O-N 3.13Å
367I41.2Very low55.3Low138 Ų13881 Ų8171%0.70843%0.426SS*.  trans-73.287.1171.7-50.2-178.8000106.7K365 I369K365-I367 PolarHBondContact O-N 2.74Å; I367-I369 HydrophobicContact CB-CG1 4.5Å; I367-I369 HydrophobicContact CG2-CD1 4.2Å; I367-I369 HydrophobicContact CG2-CG1 3.59Å; I367-I369 PolarHBondContact O-N 3.02Å
368V45.7Very low55.4Low98 Ų9880.7 Ų80.759%0.59443%0.427SS*.  trans-71.879.1173.1-1750000107.7S366 V370S366-V368 PolarHBondContact O-N 3.13Å; V368-V370 PolarHBondContact O-N 2.88Å; V368-V370 VanDerWaalsContact O-N 3.16Å
369I48.3Very low56Low90 Ų9083.5 Ų83.546%0.46244%0.444SS..  trans-69.3108.9168.6-54.9-173.1000106.4I367 H371 F381I367-I369 HydrophobicContact CB-CG1 4.5Å; I367-I369 HydrophobicContact CG2-CD1 4.2Å; I367-I369 HydrophobicContact CG2-CG1 3.59Å; I367-I369 PolarHBondContact O-N 3.02Å; I369-H371 HydrophobicContact CG2-CB 4.12Å; I369-H371 PolarHBondContact O-N 2.9Å; I369-F381 HydrophobicContact CB-CE1 3.86Å; I369-F381 HydrophobicContact CB-CZ 3.85Å; I369-F381 HydrophobicContact CD1-CE1 3.83Å; I369-F381 HydrophobicContact CD1-CZ 3.87Å; I369-F381 HydrophobicContact CG1-CE1 3.94Å; I369-F381 HydrophobicContact CG1-CZ 4.19Å; I369-F381 HydrophobicContact CG2-CZ 4.31Å
370V55.4Low57Low110 Ų11086.3 Ų86.367%0.66745%0.451SS*.  trans-71.784.8169.8-177.40000107.4V368V368-V370 PolarHBondContact O-N 2.88Å; V368-V370 VanDerWaalsContact O-N 3.16Å
371H53.6Low58.3Low49 Ų4988.4 Ų88.423%0.22746%0.46CS..  trans-95.1118.7-174.8-154.4-82.5000109.7I369 D373I369-H371 HydrophobicContact CG2-CB 4.12Å; I369-H371 PolarHBondContact O-N 2.9Å; H371-D373 PolarHBondContact CE1-O 3.48Å; H371-D373 VanDerWaalsContact CE1-O 3.31Å; H371-D373 PolarHBondContact ND1-O 2.98Å
372H58.5Low59.5Low162 Ų16292.7 Ų92.775%0.7549%0.487SS*.SBendtrans-78.7-35.6178.7-78.1-95.1000112.9L374H372-L374 PolarHBondContact O-N 3.4Å
373D64.8Low61.1Low54 Ų5497.5 Ų97.529%0.28951%0.509SS..  trans-74.2100175.2168.311.2000109.9H371 H375 K376H371-D373 PolarHBondContact CE1-O 3.48Å; H371-D373 VanDerWaalsContact CE1-O 3.31Å; H371-D373 PolarHBondContact ND1-O 2.98Å; D373-H375 VanDerWaalsContact C-N 3.25Å; D373-H375 PolarHBondContact O-N 2.73Å; D373-H375 WeakPolarHBondContact OD1-CB 3.28Å; D373-H375 IonicContact OD1-CD2 3.16Å; D373-H375 IonicContact OD1-CG 2.69Å; D373-H375 PolarHBondContact OD1-N 3.23Å; D373-K376 VanDerWaalsContact OD2-CD 3.27Å; D373-K376 WeakPolarHBondContact OD2-CD 3.47Å; D373-K376 VanDerWaalsContact OD2-CE 3.28Å; D373-K376 WeakPolarHBondContact OD2-CE 3.46Å; D373-K376 WeakPolarHBondContact OD2-CG 3.46Å; D373-K376 IonicContact OD2-NZ 2.62Å; D373-K376 PolarHBondContact OD2-NZ 2.98Å
374L65.6Low62.8Low57 Ų5795.6 Ų95.630%0.29850%0.501SS..G310 helixtrans-68.9-18.9-177-65.3-173.1000113.5H372 K376 I377 Y401 M406 Y410H372-L374 PolarHBondContact O-N 3.4Å; L374-K376 VanDerWaalsContact C-N 3.28Å; L374-K376 PolarHBondContact O-N 2.84Å; L374-I377 HydrophobicContact CD2-CD1 3.85Å; L374-Y401 WeakPolarHBondContact CA-OH 3.05Å; L374-Y401 VanDerWaalsContact CB-OH 3.32Å; L374-Y401 WeakPolarHBondContact CB-OH 3.46Å; L374-Y401 PolarHBondContact O-OH 3.34Å; L374-M406 HydrophobicContact CD1-CE 3.72Å; L374-M406 HydrophobicContact CD2-CE 3.61Å; L374-M406 HydrophobicContact CG-CE 4.18Å; L374-Y410 HydrophobicContact CD2-CD2 4.1Å; L374-Y410 HydrophobicContact CD2-CE1 4.45Å; L374-Y410 HydrophobicContact CD2-CE2 4.01Å; L374-Y410 HydrophobicContact CD2-CG 4.36Å
375H66Low64.9Low161 Ų16196.1 Ų96.175%0.74549%0.487SS*.G310 helixtrans-73.9-21.8-175.7-64-73000113.1D373D373-H375 VanDerWaalsContact C-N 3.25Å; D373-H375 PolarHBondContact O-N 2.73Å; D373-H375 WeakPolarHBondContact OD1-CB 3.28Å; D373-H375 IonicContact OD1-CD2 3.16Å; D373-H375 IonicContact OD1-CG 2.69Å; D373-H375 PolarHBondContact OD1-N 3.23Å
376K69.5Low66.8Low88 Ų8890.2 Ų90.238%0.38346%0.462SS..G310 helixtrans-90.6-8-178.1-70.6-176.6-177.4121.10114.4D373 L374 T378 D379 Y380D373-K376 VanDerWaalsContact OD2-CD 3.27Å; D373-K376 WeakPolarHBondContact OD2-CD 3.47Å; D373-K376 VanDerWaalsContact OD2-CE 3.28Å; D373-K376 WeakPolarHBondContact OD2-CE 3.46Å; D373-K376 WeakPolarHBondContact OD2-CG 3.46Å; D373-K376 IonicContact OD2-NZ 2.62Å; D373-K376 PolarHBondContact OD2-NZ 2.98Å; L374-K376 VanDerWaalsContact C-N 3.28Å; L374-K376 PolarHBondContact O-N 2.84Å; K376-T378 PolarHBondContact O-N 3.08Å; K376-D379 PolarHBondContact O-N 2.86Å; K376-Y380 HydrophobicContact CB-CD2 3.94Å; K376-Y380 HydrophobicContact CB-CE2 3.96Å; K376-Y380 HydrophobicContact CD-CE2 4.01Å; K376-Y380 HydrophobicContact CG-CE2 4.1Å; K376-Y380 WeakPolarHBondContact O-CD2 3.4Å; K376-Y380 PolarHBondContact O-N 3.04Å
377I71.3Confident68.2Low7 Ų791 Ų914%0.03646%0.459CS..Hα-helixtrans-66.8-27.3-173.3-63.5-179000111.9L374 D379 F381 V384 Y401L374-I377 HydrophobicContact CD2-CD1 3.85Å; I377-D379 VanDerWaalsContact C-N 3.28Å; I377-D379 PolarHBondContact O-N 3.35Å; I377-F381 HydrophobicContact CB-CD2 4.48Å; I377-F381 HydrophobicContact CG2-CD2 4.3Å; I377-V384 HydrophobicContact CG2-CG2 4.46Å; I377-Y401 HydrophobicContact CB-CD2 4.45Å; I377-Y401 HydrophobicContact CB-CE1 4.4Å; I377-Y401 HydrophobicContact CB-CE2 3.8Å; I377-Y401 HydrophobicContact CD1-CE2 3.79Å; I377-Y401 HydrophobicContact CG1-CE2 4.35Å; I377-Y401 HydrophobicContact CG2-CD2 3.8Å; I377-Y401 HydrophobicContact CG2-CE2 3.56Å; I377-Y401 HydrophobicContact CG2-CG 4.46Å
378T74.2Confident69.5Low87 Ų8788 Ų8853%0.53444%0.444SS..Hα-helixtrans-71.2-17.5172.346.40000114.9K376 V397 Y401K376-T378 PolarHBondContact O-N 3.08Å; T378-V397 HydrophobicContact CG2-CG1 4.22Å; T378-Y401 HydrophobicContact CG2-CD1 4.29Å
379D74.7Confident70.8Confident114 Ų11491.6 Ų91.661%0.6145%0.451SS*.Hα-helixtrans-106.7-17.5-162.6-61.99.5000112.5K376 I377K376-D379 PolarHBondContact O-N 2.86Å; I377-D379 VanDerWaalsContact C-N 3.28Å; I377-D379 PolarHBondContact O-N 3.35Å
380Y76Confident71.8Confident168 Ų16889.2 Ų89.266%0.65945%0.45SS*.Hα-helixtrans-129.5-3.6-173.9-61.6-78.8000115.2K376K376-Y380 HydrophobicContact CB-CD2 3.94Å; K376-Y380 HydrophobicContact CB-CE2 3.96Å; K376-Y380 HydrophobicContact CD-CE2 4.01Å; K376-Y380 HydrophobicContact CG-CE2 4.1Å; K376-Y380 WeakPolarHBondContact O-CD2 3.4Å; K376-Y380 PolarHBondContact O-N 3.04Å
381F80.4Confident72.9Confident46 Ų4689 Ų8920%0.20244%0.444CS..  trans-132.1130.5-172.5-57-93.7000112.2I369 I377 V397I369-F381 HydrophobicContact CB-CE1 3.86Å; I369-F381 HydrophobicContact CB-CZ 3.85Å; I369-F381 HydrophobicContact CD1-CE1 3.83Å; I369-F381 HydrophobicContact CD1-CZ 3.87Å; I369-F381 HydrophobicContact CG1-CE1 3.94Å; I369-F381 HydrophobicContact CG1-CZ 4.19Å; I369-F381 HydrophobicContact CG2-CZ 4.31Å; I377-F381 HydrophobicContact CB-CD2 4.48Å; I377-F381 HydrophobicContact CG2-CD2 4.3Å; F381-V397 HydrophobicContact CB-CG2 4.05Å; F381-V397 WeakPolarHBondContact O-CG2 3.32Å
382D79.5Confident74.2Confident151 Ų15187.9 Ų87.981%0.80744%0.44SS*.SBendtrans-77.8-39.5173.6-59-80.5000112.1P396 V397D382-P396 CarbonylContact O-C 3.53Å; D382-P396 VanDerWaalsContact O-CA 3.3Å; D382-P396 WeakPolarHBondContact O-CA 3.34Å; D382-V397 PolarHBondContact O-N 3.16Å
383E82Confident75.5Confident136 Ų13681.2 Ų81.264%0.63641%0.412SS*.EExtended strand (participates in β ladder)trans-127.9151.3179.6-66.6-167.5-139.700111.9G395E383-G395 CarbonylContact C-O 3.25Å; E383-G395 VanDerWaalsContact CA-O 3.3Å; E383-G395 WeakPolarHBondContact CA-O 3.42Å
384V85.3Confident76.7Confident16 Ų1682 Ų8210%0.09742%0.422CS..EExtended strand (participates in β ladder)trans-132.1142.3174.763.30000110.7I377 L386 S394 G395 V397 T400 Y401I377-V384 HydrophobicContact CG2-CG2 4.46Å; V384-L386 HydrophobicContact CG1-CD1 4.49Å; V384-L386 HydrophobicContact CG1-CG 4.29Å; V384-L386 HydrophobicContact CG2-CD2 3.69Å; V384-L386 HydrophobicContact CG2-CG 4Å; V384-S394 WeakPolarHBondContact O-CA 3.25Å; V384-G395 PolarHBondContact N-O 3Å; V384-G395 PolarHBondContact O-N 3.3Å; V384-G395 VanDerWaalsContact O-N 3.13Å; V384-V397 HydrophobicContact CB-CG2 3.98Å; V384-V397 HydrophobicContact CG1-CG2 4.04Å; V384-T400 HydrophobicContact CG1-CG2 3.75Å; V384-Y401 HydrophobicContact CG1-CD2 4.3Å
385I83.2Confident77.7Confident76 Ų7679.8 Ų79.839%0.3941%0.413SS..EExtended strand (participates in β ladder)trans-109.8122.5168.2-53.6178.4000107.1L387 L391I385-L387 HydrophobicContact CG2-CD1 4.44Å; I385-L387 HydrophobicContact CG2-CD2 3.78Å; I385-L387 HydrophobicContact CG2-CG 3.96Å; I385-L391 HydrophobicContact CG2-CD1 3.81Å
386L81Confident78.6Confident0 Ų074.7 Ų74.70%039%0.394CS..EExtended strand (participates in β ladder)trans-107.9120.8-176.4-68.9179.3000108.6V384 I392 A393 T400 N405 M406 T409 Y410V384-L386 HydrophobicContact CG1-CD1 4.49Å; V384-L386 HydrophobicContact CG1-CG 4.29Å; V384-L386 HydrophobicContact CG2-CD2 3.69Å; V384-L386 HydrophobicContact CG2-CG 4Å; L386-I392 HydrophobicContact CB-CB 4.13Å; L386-I392 HydrophobicContact CB-CG2 4.36Å; L386-I392 WeakPolarHBondContact O-CA 3.39Å; L386-I392 VanDerWaalsContact O-CB 3.3Å; L386-I392 WeakPolarHBondContact O-CB 2.88Å; L386-I392 PolarHBondContact O-N 3Å; L386-A393 PolarHBondContact N-O 3.1Å; L386-A393 PolarHBondContact O-N 3Å; L386-T400 HydrophobicContact CD1-CG2 4.08Å; L386-T400 WeakPolarHBondContact CD1-O 3.19Å; L386-T400 HydrophobicContact CG-CG2 4.46Å; L386-N405 HydrophobicContact CD1-CB 3.54Å; L386-M406 HydrophobicContact CD1-SD 4.14Å; L386-M406 HydrophobicContact CD2-SD 3.88Å; L386-T409 HydrophobicContact CB-CG2 4.09Å; L386-T409 WeakPolarHBondContact CB-OG1 3.3Å; L386-T409 HydrophobicContact CD2-CG2 4Å; L386-Y410 HydrophobicContact CD2-CE2 3.91Å
387L75.6Confident79.4Confident104 Ų10471 Ų7155%0.54538%0.379SS..EExtended strand (participates in β ladder)trans-130.1131.5-169.6-60.4178.7000112.4I385 G390 L391 T409I385-L387 HydrophobicContact CG2-CD1 4.44Å; I385-L387 HydrophobicContact CG2-CD2 3.78Å; I385-L387 HydrophobicContact CG2-CG 3.96Å; L387-G390 WeakPolarHBondContact CA-O 3.43Å; L387-L391 HydrophobicContact CD2-CB 4.45Å; L387-L391 HydrophobicContact CD2-CD1 3.85Å; L387-T409 WeakPolarHBondContact O-CG2 3.29Å
388N69.8Low79.8Confident73 Ų7375.8 Ų75.839%0.3942%0.42SS..SBendtrans-154.8106.5168.1178.15000109.2G390 I392 R408 T409N388-G390 PolarHBondContact N-O 3.1Å; N388-G390 PolarHBondContact O-N 2.74Å; N388-I392 HydrophobicContact CB-CD1 4.11Å; N388-I392 HydrophobicContact CB-CG1 3.96Å; N388-R408 VanDerWaalsContact CB-O 3.24Å; N388-R408 WeakPolarHBondContact CB-O 3.07Å; N388-R408 PolarHBondContact ND2-O 3.43Å; N388-T409 WeakPolarHBondContact CB-O 3.29Å
389K73Confident80.2Confident174 Ų17478.7 Ų78.776%0.75743%0.427SS*.SBendtrans48.821.5-171.3-56.2-165.8178.5-160.10114.4
390G68.4Low80.7Confident41 Ų4173.7 Ų73.742%0.42340%0.401SS..SBendtrans153174.9-17000000111.3L387 N388 I392L387-G390 WeakPolarHBondContact CA-O 3.43Å; N388-G390 PolarHBondContact N-O 3.1Å; N388-G390 PolarHBondContact O-N 2.74Å; G390-I392 PolarHBondContact O-N 3.24Å
391L78.9Confident81Confident106 Ų10668 Ų6856%0.55538%0.378SS*.EExtended strand (participates in β ladder)trans-74.5119.9178.6-178.162.8000111.2I385 L387 A393I385-L391 HydrophobicContact CG2-CD1 3.81Å; L387-L391 HydrophobicContact CD2-CB 4.45Å; L387-L391 HydrophobicContact CD2-CD1 3.85Å; L391-A393 WeakPolarHBondContact CD1-O 3.32Å
392I81.1Confident81Confident25 Ų2568.4 Ų68.413%0.12839%0.385CS..EExtended strand (participates in β ladder)trans-84.4-52.3174.4-63.5-48.9000110.3L386 N388 G390 N405 R408 T409L386-I392 HydrophobicContact CB-CB 4.13Å; L386-I392 HydrophobicContact CB-CG2 4.36Å; L386-I392 WeakPolarHBondContact O-CA 3.39Å; L386-I392 VanDerWaalsContact O-CB 3.3Å; L386-I392 WeakPolarHBondContact O-CB 2.88Å; L386-I392 PolarHBondContact O-N 3Å; N388-I392 HydrophobicContact CB-CD1 4.11Å; N388-I392 HydrophobicContact CB-CG1 3.96Å; G390-I392 PolarHBondContact O-N 3.24Å; I392-N405 HydrophobicContact CG2-CB 4.07Å; I392-R408 HydrophobicContact CD1-CB 4.06Å; I392-R408 HydrophobicContact CG1-CB 4.21Å; I392-R408 HydrophobicContact CG2-CB 3.5Å; I392-R408 VanDerWaalsContact CG2-CB 3.5Å; I392-R408 HydrophobicContact CG2-CG 4.42Å; I392-R408 VanDerWaalsContact CG2-CZ 3.45Å; I392-R408 PolarHBondContact O-NH1 3.05Å; I392-R408 PolarHBondContact O-NH2 3.16Å; I392-T409 WeakPolarHBondContact CG2-OG1 3.46Å
393A85.9Confident80.7Confident21 Ų2166.3 Ų66.317%0.17438%0.382CS..EExtended strand (participates in β ladder)trans-165.3162173.900000110.4L386 L391 T400 N405L386-A393 PolarHBondContact N-O 3.1Å; L386-A393 PolarHBondContact O-N 3Å; L391-A393 WeakPolarHBondContact CD1-O 3.32Å; A393-T400 HydrophobicContact CB-CG2 3.7Å; A393-N405 HydrophobicContact CB-CB 4.44Å; A393-N405 WeakPolarHBondContact CB-ND2 3.29Å
394S88.9Confident80.3Confident71 Ų7166.5 Ų66.550%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-150.8142.4174.9530000111.3V384V384-S394 WeakPolarHBondContact O-CA 3.25Å
395G87Confident80.1Confident10 Ų1066.6 Ų66.610%0.10338%0.383CS..EExtended strand (participates in β ladder)trans142.2-160.3174.500000112.7E383 V384 V397 T400E383-G395 CarbonylContact C-O 3.25Å; E383-G395 VanDerWaalsContact CA-O 3.3Å; E383-G395 WeakPolarHBondContact CA-O 3.42Å; V384-G395 PolarHBondContact N-O 3Å; V384-G395 PolarHBondContact O-N 3.3Å; V384-G395 VanDerWaalsContact O-N 3.13Å; G395-V397 PolarHBondContact O-N 2.84Å; G395-T400 WeakPolarHBondContact CA-OG1 3.42Å; G395-T400 PolarHBondContact N-OG1 2.99Å; G395-T400 PolarHBondContact O-OG1 3.04Å
396P85.7Confident79.8Confident55 Ų5564.3 Ų64.336%0.35737%0.371SS..EExtended strand (participates in β ladder)trans-55.5136-177.2-27.235.5000112.8D382 A398 Q399 T400D382-P396 CarbonylContact O-C 3.53Å; D382-P396 VanDerWaalsContact O-CA 3.3Å; D382-P396 WeakPolarHBondContact O-CA 3.34Å; P396-A398 VanDerWaalsContact C-N 3.3Å; P396-A398 PolarHBondContact O-N 2.99Å; P396-Q399 HydrophobicContact CB-CG 4.44Å; P396-Q399 PolarHBondContact O-N 3.07Å; P396-T400 VanDerWaalsContact O-CB 3.31Å; P396-T400 WeakPolarHBondContact O-CB 3.24Å; P396-T400 PolarHBondContact O-N 3.16Å; P396-T400 PolarHBondContact O-OG1 2.57Å
397V84.5Confident79Confident11 Ų1169.5 Ų69.57%0.06740%0.395CS..Hα-helixtrans-54.5-45.9-175.6170.30000111.3T378 F381 D382 V384 G395 Q399 T400 Y401T378-V397 HydrophobicContact CG2-CG1 4.22Å; F381-V397 HydrophobicContact CB-CG2 4.05Å; F381-V397 WeakPolarHBondContact O-CG2 3.32Å; D382-V397 PolarHBondContact O-N 3.16Å; V384-V397 HydrophobicContact CB-CG2 3.98Å; V384-V397 HydrophobicContact CG1-CG2 4.04Å; G395-V397 PolarHBondContact O-N 2.84Å; V397-Q399 PolarHBondContact O-N 3.14Å; V397-T400 PolarHBondContact O-N 3.07Å; V397-Y401 HydrophobicContact CG1-CG 4.19Å; V397-Y401 WeakPolarHBondContact O-CB 3.49Å; V397-Y401 PolarHBondContact O-N 2.82Å
398A81.3Confident78.7Confident107 Ų10769.7 Ų69.788%0.88439%0.389SS*.Hα-helixtrans-60.9-14.6178.500000115.5P396P396-A398 VanDerWaalsContact C-N 3.3Å; P396-A398 PolarHBondContact O-N 2.99Å
399Q82.4Confident78.5Confident147 Ų14766.6 Ų66.669%0.68737%0.373SS*.Hα-helixtrans-111.1-29.6177.7-58.8-179.827.600112.5P396 V397 T402P396-Q399 HydrophobicContact CB-CG 4.44Å; P396-Q399 PolarHBondContact O-N 3.07Å; V397-Q399 PolarHBondContact O-N 3.14Å; Q399-T402 WeakPolarHBondContact O-CG2 3.39Å
400T85.2Confident77.8Confident9 Ų962.7 Ų62.76%0.05535%0.354CS..Hα-helixtrans-98.6-34.4-169.1-52.60000111.8V384 L386 A393 G395 P396 V397 T402 N405V384-T400 HydrophobicContact CG1-CG2 3.75Å; L386-T400 HydrophobicContact CD1-CG2 4.08Å; L386-T400 WeakPolarHBondContact CD1-O 3.19Å; L386-T400 HydrophobicContact CG-CG2 4.46Å; A393-T400 HydrophobicContact CB-CG2 3.7Å; G395-T400 WeakPolarHBondContact CA-OG1 3.42Å; G395-T400 PolarHBondContact N-OG1 2.99Å; G395-T400 PolarHBondContact O-OG1 3.04Å; P396-T400 VanDerWaalsContact O-CB 3.31Å; P396-T400 WeakPolarHBondContact O-CB 3.24Å; P396-T400 PolarHBondContact O-N 3.16Å; P396-T400 PolarHBondContact O-OG1 2.57Å; V397-T400 PolarHBondContact O-N 3.07Å; T400-T402 PolarHBondContact O-N 2.99Å; T400-N405 WeakPolarHBondContact O-CB 3.13Å; T400-N405 PolarHBondContact O-ND2 2.74Å
401Y82.3Confident77Confident48 Ų4862.9 Ų62.919%0.18836%0.356CS..  trans-81.554.1-176.6-156.9-105.2000112.3L374 I377 T378 V384 V397 M406L374-Y401 WeakPolarHBondContact CA-OH 3.05Å; L374-Y401 VanDerWaalsContact CB-OH 3.32Å; L374-Y401 WeakPolarHBondContact CB-OH 3.46Å; L374-Y401 PolarHBondContact O-OH 3.34Å; I377-Y401 HydrophobicContact CB-CD2 4.45Å; I377-Y401 HydrophobicContact CB-CE1 4.4Å; I377-Y401 HydrophobicContact CB-CE2 3.8Å; I377-Y401 HydrophobicContact CD1-CE2 3.79Å; I377-Y401 HydrophobicContact CG1-CE2 4.35Å; I377-Y401 HydrophobicContact CG2-CD2 3.8Å; I377-Y401 HydrophobicContact CG2-CE2 3.56Å; I377-Y401 HydrophobicContact CG2-CG 4.46Å; T378-Y401 HydrophobicContact CG2-CD1 4.29Å; V384-Y401 HydrophobicContact CG1-CD2 4.3Å; V397-Y401 HydrophobicContact CG1-CG 4.19Å; V397-Y401 WeakPolarHBondContact O-CB 3.49Å; V397-Y401 PolarHBondContact O-N 2.82Å; Y401-M406 HydrophobicContact CD2-CE 4.32Å; Y401-M406 HydrophobicContact CD2-CG 4.47Å; Y401-M406 HydrophobicContact CD2-SD 3.51Å; Y401-M406 VanDerWaalsContact CD2-SD 3.51Å; Y401-M406 HydrophobicContact CE1-SD 4.5Å; Y401-M406 HydrophobicContact CE2-CE 3.41Å; Y401-M406 VanDerWaalsContact CE2-CE 3.41Å; Y401-M406 HydrophobicContact CE2-CG 4.28Å; Y401-M406 HydrophobicContact CE2-SD 3.21Å; Y401-M406 WeakPolarHBondContact CE2-SD 3.36Å; Y401-M406 HydrophobicContact CG-SD 4.26Å; Y401-M406 WeakPolarHBondContact OH-CE 3.34Å
402T79.7Confident74.8Confident55 Ų5559.9 Ų59.934%0.33734%0.343SS..  trans-91.3151.8178.967.50000110.8Q399 T400 Q404 N405 M406Q399-T402 WeakPolarHBondContact O-CG2 3.39Å; T400-T402 PolarHBondContact O-N 2.99Å; T402-Q404 PolarHBondContact O-N 3.01Å; T402-Q404 VanDerWaalsContact O-N 3.11Å; T402-N405 PolarHBondContact O-N 3.37Å; T402-N405 PolarHBondContact OG1-N 2.95Å; T402-N405 PolarHBondContact OG1-ND2 2.8Å; T402-M406 WeakPolarHBondContact O-CG 3.3Å; T402-M406 PolarHBondContact O-N 2.78Å
403S73.1Confident72.7Confident108 Ų10862.4 Ų62.476%0.75535%0.354SS*.Hα-helixtrans-52-37.6177.6-45.40000112.7M406 E407S403-M406 PolarHBondContact O-N 2.85Å; S403-E407 WeakPolarHBondContact O-CB 3.35Å; S403-E407 PolarHBondContact O-N 2.86Å
404Q74.8Confident70.5Confident139 Ų13963.6 Ų63.665%0.6536%0.358SS*.Hα-helixtrans-64.9-38.7177.2-173-179.219.500112.9T402 R408T402-Q404 PolarHBondContact O-N 3.01Å; T402-Q404 VanDerWaalsContact O-N 3.11Å; Q404-R408 VanDerWaalsContact O-CD 3.31Å; Q404-R408 WeakPolarHBondContact O-CD 3.36Å; Q404-R408 WeakPolarHBondContact O-CG 3.09Å; Q404-R408 PolarHBondContact O-N 3.04Å
405N81.2Confident68.1Low19 Ų1960.3 Ų60.310%0.10234%0.335CS..Hα-helixtrans-77.1-36.1176.2-68.5-28.6000111.4L386 I392 A393 T400 T402 R408 T409L386-N405 HydrophobicContact CD1-CB 3.54Å; I392-N405 HydrophobicContact CG2-CB 4.07Å; A393-N405 HydrophobicContact CB-CB 4.44Å; A393-N405 WeakPolarHBondContact CB-ND2 3.29Å; T400-N405 WeakPolarHBondContact O-CB 3.13Å; T400-N405 PolarHBondContact O-ND2 2.74Å; T402-N405 PolarHBondContact O-N 3.37Å; T402-N405 PolarHBondContact OG1-N 2.95Å; T402-N405 PolarHBondContact OG1-ND2 2.8Å; N405-R408 WeakPolarHBondContact O-CB 3.43Å; N405-R408 PolarHBondContact O-N 2.91Å; N405-R408 PolarHBondContact OD1-NH1 3.31Å; N405-T409 WeakPolarHBondContact O-CB 3.48Å; N405-T409 PolarHBondContact O-N 3Å; N405-T409 PolarHBondContact O-OG1 2.97Å
406M75.2Confident65.9Low27 Ų2760 Ų6013%0.13333%0.331CS..Hα-helixtrans-61.5-45.2174.9-64.1-49.2-69.900111.9L374 L386 Y401 T402 S403 R408 T409 Y410L374-M406 HydrophobicContact CD1-CE 3.72Å; L374-M406 HydrophobicContact CD2-CE 3.61Å; L374-M406 HydrophobicContact CG-CE 4.18Å; L386-M406 HydrophobicContact CD1-SD 4.14Å; L386-M406 HydrophobicContact CD2-SD 3.88Å; Y401-M406 HydrophobicContact CD2-CE 4.32Å; Y401-M406 HydrophobicContact CD2-CG 4.47Å; Y401-M406 HydrophobicContact CD2-SD 3.51Å; Y401-M406 VanDerWaalsContact CD2-SD 3.51Å; Y401-M406 HydrophobicContact CE1-SD 4.5Å; Y401-M406 HydrophobicContact CE2-CE 3.41Å; Y401-M406 VanDerWaalsContact CE2-CE 3.41Å; Y401-M406 HydrophobicContact CE2-CG 4.28Å; Y401-M406 HydrophobicContact CE2-SD 3.21Å; Y401-M406 WeakPolarHBondContact CE2-SD 3.36Å; Y401-M406 HydrophobicContact CG-SD 4.26Å; Y401-M406 WeakPolarHBondContact OH-CE 3.34Å; T402-M406 WeakPolarHBondContact O-CG 3.3Å; T402-M406 PolarHBondContact O-N 2.78Å; S403-M406 PolarHBondContact O-N 2.85Å; M406-R408 PolarHBondContact O-N 3.13Å; M406-T409 PolarHBondContact O-N 3.28Å; M406-Y410 HydrophobicContact CE-CD2 3.43Å; M406-Y410 VanDerWaalsContact CE-CD2 3.43Å; M406-Y410 HydrophobicContact CE-CE2 3.56Å; M406-Y410 PolarHBondContact O-N 3.35Å; M406-Y410 HydrophobicContact SD-CD2 4.37Å; M406-Y410 HydrophobicContact SD-CE2 4.32Å
407E65.8Low64.2Low110 Ų11057.8 Ų57.851%0.51432%0.315SS..Hα-helixtrans-59-34.7175.9-171.6-170.9179.300113.1S403 K660S403-E407 WeakPolarHBondContact O-CB 3.35Å; S403-E407 PolarHBondContact O-N 2.86Å; E407-K660 HydrophobicContact CG-CD 4.4Å; E407-K660 VanDerWaalsContact CG-CE 3.47Å; E407-K660 PolarHBondContact O-NZ 3.38Å; E407-K660 VanDerWaalsContact OE1-CE 3.28Å; E407-K660 WeakPolarHBondContact OE1-CE 3.39Å; E407-K660 IonicContact OE1-NZ 3.18Å
408R67.5Low63.1Low107 Ų10758.2 Ų58.240%0.40432%0.317SS..Hα-helixtrans-76.9-21.1176-72.7167.169.6-142.8-2.5113.2N388 I392 Q404 N405 M406N388-R408 VanDerWaalsContact CB-O 3.24Å; N388-R408 WeakPolarHBondContact CB-O 3.07Å; N388-R408 PolarHBondContact ND2-O 3.43Å; I392-R408 HydrophobicContact CD1-CB 4.06Å; I392-R408 HydrophobicContact CG1-CB 4.21Å; I392-R408 HydrophobicContact CG2-CB 3.5Å; I392-R408 VanDerWaalsContact CG2-CB 3.5Å; I392-R408 HydrophobicContact CG2-CG 4.42Å; I392-R408 VanDerWaalsContact CG2-CZ 3.45Å; I392-R408 PolarHBondContact O-NH1 3.05Å; I392-R408 PolarHBondContact O-NH2 3.16Å; Q404-R408 VanDerWaalsContact O-CD 3.31Å; Q404-R408 WeakPolarHBondContact O-CD 3.36Å; Q404-R408 WeakPolarHBondContact O-CG 3.09Å; Q404-R408 PolarHBondContact O-N 3.04Å; N405-R408 WeakPolarHBondContact O-CB 3.43Å; N405-R408 PolarHBondContact O-N 2.91Å; N405-R408 PolarHBondContact OD1-NH1 3.31Å; M406-R408 PolarHBondContact O-N 3.13Å
409T66.7Low62.5Low9 Ų953.6 Ų53.66%0.05528%0.277CS..Hα-helixtrans-99-67.6-168.1-55.70000112.6L386 L387 N388 I392 N405 M406 G411L386-T409 HydrophobicContact CB-CG2 4.09Å; L386-T409 WeakPolarHBondContact CB-OG1 3.3Å; L386-T409 HydrophobicContact CD2-CG2 4Å; L387-T409 WeakPolarHBondContact O-CG2 3.29Å; N388-T409 WeakPolarHBondContact CB-O 3.29Å; I392-T409 WeakPolarHBondContact CG2-OG1 3.46Å; N405-T409 WeakPolarHBondContact O-CB 3.48Å; N405-T409 PolarHBondContact O-N 3Å; N405-T409 PolarHBondContact O-OG1 2.97Å; M406-T409 PolarHBondContact O-N 3.28Å; T409-G411 PolarHBondContact O-N 3.05Å
410Y58.9Low62.5Low92 Ų9246.7 Ų46.736%0.36125%0.245SC..  trans-87.781.6-168.9-67.8-87.1000110L374 L386 M406 S412L374-Y410 HydrophobicContact CD2-CD2 4.1Å; L374-Y410 HydrophobicContact CD2-CE1 4.45Å; L374-Y410 HydrophobicContact CD2-CE2 4.01Å; L374-Y410 HydrophobicContact CD2-CG 4.36Å; L386-Y410 HydrophobicContact CD2-CE2 3.91Å; M406-Y410 HydrophobicContact CE-CD2 3.43Å; M406-Y410 VanDerWaalsContact CE-CD2 3.43Å; M406-Y410 HydrophobicContact CE-CE2 3.56Å; M406-Y410 PolarHBondContact O-N 3.35Å; M406-Y410 HydrophobicContact SD-CD2 4.37Å; M406-Y410 HydrophobicContact SD-CE2 4.32Å; Y410-S412 PolarHBondContact O-N 2.8Å
411G51.1Low62.4Low45 Ų4546.5 Ų46.546%0.46425%0.245SC..  trans-61.2125.3152.600000108.8T409T409-G411 PolarHBondContact O-N 3.05Å
412S32.3Very low62.6Low42 Ų4245.3 Ų45.329%0.29424%0.242SC..  trans-66.3135166.135.70000109.8Y410 V434 H435Y410-S412 PolarHBondContact O-N 2.8Å; S412-V434 CarbonylContact O-C 3.54Å; S412-V434 WeakPolarHBondContact O-CA 3.47Å; S412-V434 PolarHBondContact O-N 3.29Å; S412-H435 PolarHBondContact O-N 3.35Å
413E36.5Very low63.2Low78 Ų7842.7 Ų42.736%0.36423%0.225SC..  trans-161.5144.6-174.1-57.8-159.5149.700112.2S433 H435 K456E413-S433 VanDerWaalsContact C-CB 3.48Å; E413-S433 CarbonylContact C-O 3.55Å; E413-S433 VanDerWaalsContact CA-C 3.49Å; E413-S433 PolarHBondContact N-OG 2.62Å; E413-S433 WeakPolarHBondContact O-CB 3.37Å; E413-S433 PolarHBondContact O-OG 2.68Å; E413-H435 HydrophobicContact CB-CB 3.61Å; E413-H435 VanDerWaalsContact CD-ND1 3.27Å; E413-H435 HydrophobicContact CG-CB 3.51Å; E413-H435 IonicContact OE1-CE1 3.3Å; E413-H435 IonicContact OE1-CG 2.8Å; E413-H435 IonicContact OE1-ND1 2.63Å; E413-H435 PolarHBondContact OE1-ND1 2.68Å; E413-H435 IonicContact OE2-ND1 2.76Å; E413-K456 IonicContact OE1-NZ 3.62Å; E413-K456 VanDerWaalsContact OE2-CE 3.3Å; E413-K456 WeakPolarHBondContact OE2-CE 3.41Å; E413-K456 IonicContact OE2-NZ 3.91Å; E413-K456 PolarHBondContact OE2-NZ 3.24Å
414I40.9Very low64Low47 Ų4737.5 Ų37.524%0.24119%0.189CC..SBendcis32.6146.2-24.2-23.9166.7000121.8S433 V434 H435 A460I414-S433 WeakPolarHBondContact CA-O 3.3Å; I414-S433 WeakPolarHBondContact CB-O 3.46Å; I414-S433 VanDerWaalsContact CG1-O 3.28Å; I414-S433 WeakPolarHBondContact CG1-O 3.21Å; I414-S433 PolarHBondContact N-O 3.07Å; I414-V434 CarbonylContact O-C 3.58Å; I414-V434 WeakPolarHBondContact O-CA 3.35Å; I414-H435 WeakPolarHBondContact O-CA 3.46Å; I414-H435 WeakPolarHBondContact O-CB 3.27Å; I414-H435 PolarHBondContact O-N 3.35Å; I414-A460 HydrophobicContact CG2-CB 3.53Å
415T37.2Very low64.7Low2 Ų234.8 Ų34.81%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-110.2118.2-153.2-56.30000117.7I437 K456T415-I437 HydrophobicContact CG2-CD1 3.81Å; T415-I437 HydrophobicContact CG2-CG1 3.36Å; T415-K456 HydrophobicContact CG2-CB 4.49Å; T415-K456 WeakPolarHBondContact OG1-CB 3.3Å; T415-K456 PolarHBondContact OG1-O 2.78Å
416Q42.5Very low65.3Low4 Ų435.9 Ų35.92%0.01918%0.18CC..EExtended strand (participates in β ladder)trans-149.9-150.1-173.4-56.3172.41.400112.7I424 H435 S436 I437 F464Q416-I424 HydrophobicContact CG-CD1 4.37Å; Q416-I424 VanDerWaalsContact OE1-CB 3.27Å; Q416-H435 CarbonylContact C-O 3.57Å; Q416-H435 PolarHBondContact N-O 3Å; Q416-H435 VanDerWaalsContact N-O 3.09Å; Q416-S436 CarbonylContact O-C 3.55Å; Q416-S436 WeakPolarHBondContact O-CA 3.1Å; Q416-I437 WeakPolarHBondContact O-CG1 3.46Å; Q416-I437 PolarHBondContact O-N 3.36Å; Q416-F464 HydrophobicContact CG-CB 4.2Å; Q416-F464 HydrophobicContact CG-CD2 4.25Å
417M49.8Very low66.2Low8 Ų834.6 Ų34.64%0.03917%0.174CC..  trans-138.7130.5174.9-64.6-161.4-17100115.2R419 V420 G421 S436 I437 V438 E471 W476 F477M417-R419 PolarHBondContact O-N 3.4Å; M417-R419 VanDerWaalsContact O-N 3.09Å; M417-V420 CarbonylContact O-C 3.6Å; M417-V420 WeakPolarHBondContact O-CA 3.27Å; M417-V420 WeakPolarHBondContact O-CB 3.45Å; M417-V420 PolarHBondContact O-N 3.14Å; M417-G421 PolarHBondContact O-N 2.83Å; M417-S436 WeakPolarHBondContact CA-OG 3.35Å; M417-I437 HydrophobicContact CE-CD1 4.18Å; M417-V438 HydrophobicContact CE-CG2 3.99Å; M417-V438 HydrophobicContact CG-CG2 4.37Å; M417-V438 HydrophobicContact SD-CG2 3.7Å; M417-E471 HydrophobicContact CE-CB 4.28Å; M417-E471 HydrophobicContact CE-CG 3.37Å; M417-E471 HydrophobicContact SD-CG 3.54Å; M417-E471 VanDerWaalsContact SD-CG 3.54Å; M417-W476 HydrophobicContact CE-CH2 3.28Å; M417-W476 HydrophobicContact CE-CZ2 3.51Å; M417-W476 HydrophobicContact CE-CZ3 4.43Å; M417-F477 HydrophobicContact CE-CD2 4.12Å; M417-F477 HydrophobicContact CE-CE2 4.4Å
418L60.1Low67.3Low20 Ų2029.4 Ų29.411%0.10515%0.149CC..Hα-helixtrans5.3-86.5173.4-59.3-177.7000116.6V420 G421 D422 S436 V438 V440L418-V420 VanDerWaalsContact C-N 3.28Å; L418-V420 PolarHBondContact O-N 3.16Å; L418-G421 PolarHBondContact O-N 3.21Å; L418-G421 VanDerWaalsContact O-N 3.15Å; L418-D422 PolarHBondContact O-N 3.02Å; L418-S436 WeakPolarHBondContact CD2-OG 3.22Å; L418-S436 WeakPolarHBondContact CG-OG 3.44Å; L418-S436 PolarHBondContact N-OG 3.45Å; L418-V438 WeakPolarHBondContact CD2-O 3.45Å; L418-V438 WeakPolarHBondContact CG-O 3.34Å; L418-V440 HydrophobicContact CD2-CB 4.43Å; L418-V440 HydrophobicContact CD2-CG2 3.56Å
419R70.3Confident68.2Low10 Ų1028 Ų284%0.03815%0.146CC..Hα-helixtrans-58.9-38.5-175.770.1179.2113.1-113.98.7112.6M417 L470 W516 T654 D655M417-R419 PolarHBondContact O-N 3.4Å; M417-R419 VanDerWaalsContact O-N 3.09Å; R419-L470 VanDerWaalsContact NH2-CD2 3.32Å; R419-W516 VanDerWaalsContact CD-CD2 3.4Å; R419-W516 VanDerWaalsContact CZ-CE2 3.48Å; R419-T654 PolarHBondContact NH1-O 3.09Å; R419-D655 IonicContact CZ-OD1 2.74Å; R419-D655 IonicContact NH1-OD1 3.81Å; R419-D655 PolarHBondContact NH1-OD1 3.39Å; R419-D655 IonicContact NH2-OD1 3.58Å; R419-D655 PolarHBondContact NH2-OD1 2.93Å
420V81Confident69Low1 Ų134.8 Ų34.81%0.00618%0.182CC..Hα-helixtrans-77-39.8179-172.50000109M417 L418 D422 M423 I424 F464 V495 I529M417-V420 CarbonylContact O-C 3.6Å; M417-V420 WeakPolarHBondContact O-CA 3.27Å; M417-V420 WeakPolarHBondContact O-CB 3.45Å; M417-V420 PolarHBondContact O-N 3.14Å; L418-V420 VanDerWaalsContact C-N 3.28Å; L418-V420 PolarHBondContact O-N 3.16Å; V420-D422 VanDerWaalsContact C-N 3.29Å; V420-D422 PolarHBondContact O-N 2.9Å; V420-M423 WeakPolarHBondContact O-CB 3.01Å; V420-M423 PolarHBondContact O-N 3.07Å; V420-M423 VanDerWaalsContact O-N 3.13Å; V420-I424 HydrophobicContact CG1-CD1 3.72Å; V420-I424 HydrophobicContact CG1-CG1 4.23Å; V420-I424 VanDerWaalsContact O-CG1 3.3Å; V420-I424 WeakPolarHBondContact O-CG1 3.23Å; V420-I424 PolarHBondContact O-N 2.94Å; V420-F464 HydrophobicContact CG1-CB 4.2Å; V420-V495 HydrophobicContact CG1-CB 4.35Å; V420-V495 HydrophobicContact CG1-CG1 3.65Å; V420-V495 HydrophobicContact CG1-CG2 3.86Å; V420-V495 HydrophobicContact CG2-CG2 3.85Å; V420-I529 HydrophobicContact CG1-CD1 4.29Å
421G83.3Confident70Confident6 Ų634.4 Ų34.46%0.06218%0.183CC..Hα-helixtrans-59.4-33.5175.900000113.9M417 L418 K425 V434M417-G421 PolarHBondContact O-N 2.83Å; L418-G421 PolarHBondContact O-N 3.21Å; L418-G421 VanDerWaalsContact O-N 3.15Å; G421-K425 WeakPolarHBondContact O-CB 3.33Å; G421-K425 VanDerWaalsContact O-CG 3.27Å; G421-K425 WeakPolarHBondContact O-CG 3.47Å; G421-K425 PolarHBondContact O-N 3.21Å; G421-V434 WeakPolarHBondContact O-CG1 3.43Å
422D86.7Confident71.4Confident22 Ų2233 Ų3312%0.11817%0.166CC..Hα-helixtrans-68.1-46.6171.4-177.678.6000112.5L418 V420 I424 K425 E426 Y551 L657 S666 Y667L418-D422 PolarHBondContact O-N 3.02Å; V420-D422 VanDerWaalsContact C-N 3.29Å; V420-D422 PolarHBondContact O-N 2.9Å; D422-I424 PolarHBondContact O-N 3.36Å; D422-K425 WeakPolarHBondContact O-CB 3.38Å; D422-K425 PolarHBondContact O-N 3.05Å; D422-K425 VanDerWaalsContact O-N 3.14Å; D422-E426 PolarHBondContact O-N 3.44Å; D422-Y551 PolarHBondContact OD2-OH 3.24Å; D422-Y551 VanDerWaalsContact OD2-OH 3.11Å; D422-L657 HydrophobicContact CB-CD1 3.88Å; D422-S666 VanDerWaalsContact CG-CA 3.48Å; D422-S666 VanDerWaalsContact CG-CB 3.5Å; D422-S666 WeakPolarHBondContact OD1-CA 3.12Å; D422-S666 WeakPolarHBondContact OD1-CB 3.17Å; D422-S666 WeakPolarHBondContact OD2-CB 3.1Å; D422-Y667 VanDerWaalsContact CG-N 3.3Å; D422-Y667 WeakPolarHBondContact OD2-CB 2.94Å; D422-Y667 PolarHBondContact OD2-N 2.89Å
423M92.1Very high73.6Confident0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-57.3-40.8174.5-63.9179.617900111.2V420 E426 V427 Y525 V526 I529 Y551 Y667V420-M423 WeakPolarHBondContact O-CB 3.01Å; V420-M423 PolarHBondContact O-N 3.07Å; V420-M423 VanDerWaalsContact O-N 3.13Å; M423-E426 PolarHBondContact O-N 2.71Å; M423-V427 WeakPolarHBondContact O-CG2 3.26Å; M423-V427 PolarHBondContact O-N 3.4Å; M423-Y525 HydrophobicContact CE-CD1 3.96Å; M423-Y525 HydrophobicContact CE-CG 4.44Å; M423-Y525 VanDerWaalsContact SD-CB 3.55Å; M423-Y525 HydrophobicContact SD-CD1 3.79Å; M423-Y525 HydrophobicContact SD-CG 4.16Å; M423-V526 HydrophobicContact CB-CG2 4.09Å; M423-V526 HydrophobicContact CG-CG2 4.12Å; M423-V526 HydrophobicContact SD-CG2 4.12Å; M423-I529 HydrophobicContact CB-CD1 3.56Å; M423-I529 HydrophobicContact SD-CD1 4.21Å; M423-Y551 HydrophobicContact CG-CE1 4.31Å; M423-Y667 HydrophobicContact CE-CD1 3.57Å; M423-Y667 HydrophobicContact CE-CD2 3.59Å; M423-Y667 HydrophobicContact CE-CE1 3.52Å; M423-Y667 HydrophobicContact CE-CE2 3.54Å; M423-Y667 HydrophobicContact CE-CG 3.61Å; M423-Y667 HydrophobicContact CG-CD1 4.24Å; M423-Y667 HydrophobicContact CG-CG 4.27Å
424I90.9Very high75.7Confident0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-72.4-32.5179.8-61.3179.7000111.3Q416 V420 D422 V427 G428 V434 F464 I529 L533Q416-I424 HydrophobicContact CG-CD1 4.37Å; Q416-I424 VanDerWaalsContact OE1-CB 3.27Å; V420-I424 HydrophobicContact CG1-CD1 3.72Å; V420-I424 HydrophobicContact CG1-CG1 4.23Å; V420-I424 VanDerWaalsContact O-CG1 3.3Å; V420-I424 WeakPolarHBondContact O-CG1 3.23Å; V420-I424 PolarHBondContact O-N 2.94Å; D422-I424 PolarHBondContact O-N 3.36Å; I424-V427 PolarHBondContact O-N 2.89Å; I424-G428 PolarHBondContact O-N 2.94Å; I424-V434 HydrophobicContact CB-CG1 4.48Å; I424-V434 HydrophobicContact CB-CG2 4.39Å; I424-V434 HydrophobicContact CG2-CG2 3.79Å; I424-F464 HydrophobicContact CD1-CB 3.61Å; I424-F464 HydrophobicContact CD1-CD1 3.91Å; I424-F464 HydrophobicContact CD1-CD2 3.42Å; I424-F464 VanDerWaalsContact CD1-CD2 3.42Å; I424-F464 HydrophobicContact CD1-CE1 4.34Å; I424-F464 HydrophobicContact CD1-CE2 3.9Å; I424-F464 HydrophobicContact CD1-CG 3.38Å; I424-F464 HydrophobicContact CD1-CZ 4.31Å; I424-I529 HydrophobicContact CB-CG2 4.33Å; I424-I529 HydrophobicContact CD1-CD1 4.13Å; I424-I529 HydrophobicContact CD1-CG1 3.9Å; I424-I529 HydrophobicContact CD1-CG2 4.43Å; I424-I529 HydrophobicContact CG1-CB 4.22Å; I424-I529 HydrophobicContact CG1-CD1 3.47Å; I424-I529 VanDerWaalsContact CG1-CD1 3.47Å; I424-I529 HydrophobicContact CG1-CG1 3.59Å; I424-I529 HydrophobicContact CG1-CG2 3.62Å; I424-I529 HydrophobicContact CG2-CG2 4.43Å; I424-L533 HydrophobicContact CG2-CD1 4.15Å
425K89.5Confident77.6Confident81 Ų8127.4 Ų27.435%0.35214%0.139SC..Hα-helixtrans-63.7-40.1168.5-76.9172.8-172.7-1790112.7G421 D422 V427 K429 V434G421-K425 WeakPolarHBondContact O-CB 3.33Å; G421-K425 VanDerWaalsContact O-CG 3.27Å; G421-K425 WeakPolarHBondContact O-CG 3.47Å; G421-K425 PolarHBondContact O-N 3.21Å; D422-K425 WeakPolarHBondContact O-CB 3.38Å; D422-K425 PolarHBondContact O-N 3.05Å; D422-K425 VanDerWaalsContact O-N 3.14Å; K425-V427 VanDerWaalsContact C-N 3.35Å; K425-K429 WeakPolarHBondContact O-CA 3.5Å; K425-K429 WeakPolarHBondContact O-CG 3.34Å; K425-K429 PolarHBondContact O-N 2.7Å; K425-V434 HydrophobicContact CD-CB 4.36Å; K425-V434 VanDerWaalsContact CE-CB 3.46Å; K425-V434 WeakPolarHBondContact CE-O 3.33Å; K425-V434 HydrophobicContact CG-CB 3.83Å; K425-V434 HydrophobicContact CG-CG1 4.14Å; K425-V434 HydrophobicContact CG-CG2 4.24Å; K425-V434 PolarHBondContact NZ-O 3.02Å
426E92.8Very high79.8Confident43 Ų4328.5 Ų28.520%0.20115%0.146CC..Hα-helixtrans-74.1-21.7176.5-82.4-105.1-153.500113.8D422 M423 K429 Y551 K554D422-E426 PolarHBondContact O-N 3.44Å; M423-E426 PolarHBondContact O-N 2.71Å; E426-K429 VanDerWaalsContact O-CE 3.25Å; E426-K429 WeakPolarHBondContact O-CE 3.38Å; E426-Y551 HydrophobicContact CB-CD1 4.17Å; E426-Y551 HydrophobicContact CB-CD2 3.45Å; E426-Y551 VanDerWaalsContact CB-CD2 3.45Å; E426-Y551 HydrophobicContact CB-CE1 4.31Å; E426-Y551 HydrophobicContact CB-CE2 3.58Å; E426-Y551 HydrophobicContact CB-CG 3.74Å; E426-Y551 HydrophobicContact CG-CD2 3.54Å; E426-Y551 HydrophobicContact CG-CE2 3.36Å; E426-Y551 HydrophobicContact CG-CG 4.35Å; E426-Y551 WeakPolarHBondContact OE2-CD2 3.26Å; E426-K554 IonicContact OE1-NZ 3.4Å; E426-K554 PolarHBondContact OE1-NZ 3.3Å; E426-K554 IonicContact OE2-NZ 2.95Å; E426-K554 PolarHBondContact OE2-NZ 2.99Å
427V94Very high81.7Confident0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-84.4-51171.6177.10000112.7M423 I424 K425 V526 I529 Q530 L533 Y544 N547 A548M423-V427 WeakPolarHBondContact O-CG2 3.26Å; M423-V427 PolarHBondContact O-N 3.4Å; I424-V427 PolarHBondContact O-N 2.89Å; K425-V427 VanDerWaalsContact C-N 3.35Å; V427-V526 HydrophobicContact CG2-CG1 3.75Å; V427-I529 HydrophobicContact CB-CG2 3.8Å; V427-I529 HydrophobicContact CG1-CG2 3.97Å; V427-I529 HydrophobicContact CG2-CG2 3.77Å; V427-Q530 HydrophobicContact CG1-CB 4.03Å; V427-L533 HydrophobicContact CB-CD1 4.41Å; V427-L533 HydrophobicContact CG1-CD1 3.86Å; V427-Y544 HydrophobicContact CG1-CD1 4.32Å; V427-N547 WeakPolarHBondContact O-CB 3.21Å; V427-N547 PolarHBondContact O-ND2 3.08Å; V427-A548 HydrophobicContact CG1-CB 4.12Å; V427-A548 HydrophobicContact CG2-CB 3.88Å
428G89.2Confident83.3Confident0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-87.7-33.5-174.900000114.7I424 D430 E431 V432I424-G428 PolarHBondContact O-N 2.94Å; G428-D430 PolarHBondContact O-N 3.4Å; G428-E431 PolarHBondContact O-N 3.29Å; G428-E431 VanDerWaalsContact O-N 3.17Å; G428-V432 VanDerWaalsContact CA-CG2 3.47Å
429K87.4Confident84.1Confident79 Ų7929.2 Ų29.234%0.34315%0.153SC..G310 helixtrans50.5-114.2-177.3-59.7179.1-171.2161.90112.3K425 E426 V432 N547K425-K429 WeakPolarHBondContact O-CA 3.5Å; K425-K429 WeakPolarHBondContact O-CG 3.34Å; K425-K429 PolarHBondContact O-N 2.7Å; E426-K429 VanDerWaalsContact O-CE 3.25Å; E426-K429 WeakPolarHBondContact O-CE 3.38Å; K429-V432 VanDerWaalsContact O-O 3.06Å; K429-N547 WeakPolarHBondContact CE-OD1 3.32Å; K429-N547 PolarHBondContact NZ-OD1 3.47Å
430D82.1Confident84.1Confident150 Ų15032.1 Ų32.180%0.80217%0.172SC*.G310 helixtrans-80.2-19.2-172.6-49.9-69.5000112.3G428 V432G428-D430 PolarHBondContact O-N 3.4Å; D430-V432 VanDerWaalsContact C-N 3.31Å
431E81.2Confident83.5Confident84 Ų8434.8 Ų34.839%0.39320%0.199SC..G310 helixtrans-79.9-11.4177.1-42.6-51.4154.200112.8G428 N540 D543 Y544G428-E431 PolarHBondContact O-N 3.29Å; G428-E431 VanDerWaalsContact O-N 3.17Å; E431-N540 HydrophobicContact CB-CB 4.2Å; E431-N540 HydrophobicContact CG-CB 4.12Å; E431-D543 HydrophobicContact CG-CB 4.24Å; E431-Y544 HydrophobicContact CB-CE1 4.03Å
432V79Confident83.1Confident17 Ų1736.8 Ų36.810%0.10321%0.21CC..  trans-129156.7-178.5-57.50000112.8G428 K429 D430 V434 L533 Y544G428-V432 VanDerWaalsContact CA-CG2 3.47Å; K429-V432 VanDerWaalsContact O-O 3.06Å; D430-V432 VanDerWaalsContact C-N 3.31Å; V432-V434 HydrophobicContact CB-CG2 4.19Å; V432-V434 HydrophobicContact CG2-CG2 3.67Å; V432-L533 HydrophobicContact CG1-CD1 4.4Å; V432-L533 HydrophobicContact CG1-CD2 4.18Å; V432-Y544 HydrophobicContact CG1-CE1 3.78Å
433S80.1Confident82.6Confident38 Ų3837.9 Ų37.927%0.26622%0.216SC..  trans-121.6121.6177.9-152.30000107.4E413 I414E413-S433 VanDerWaalsContact C-CB 3.48Å; E413-S433 CarbonylContact C-O 3.55Å; E413-S433 VanDerWaalsContact CA-C 3.49Å; E413-S433 PolarHBondContact N-OG 2.62Å; E413-S433 WeakPolarHBondContact O-CB 3.37Å; E413-S433 PolarHBondContact O-OG 2.68Å; I414-S433 WeakPolarHBondContact CA-O 3.3Å; I414-S433 WeakPolarHBondContact CB-O 3.46Å; I414-S433 VanDerWaalsContact CG1-O 3.28Å; I414-S433 WeakPolarHBondContact CG1-O 3.21Å; I414-S433 PolarHBondContact N-O 3.07Å
434V79.7Confident82.1Confident1 Ų138.1 Ų38.11%0.00622%0.217CC..  trans-134.699.7-164.1177.90000117.4S412 I414 G421 I424 K425 V432S412-V434 CarbonylContact O-C 3.54Å; S412-V434 WeakPolarHBondContact O-CA 3.47Å; S412-V434 PolarHBondContact O-N 3.29Å; I414-V434 CarbonylContact O-C 3.58Å; I414-V434 WeakPolarHBondContact O-CA 3.35Å; G421-V434 WeakPolarHBondContact O-CG1 3.43Å; I424-V434 HydrophobicContact CB-CG1 4.48Å; I424-V434 HydrophobicContact CB-CG2 4.39Å; I424-V434 HydrophobicContact CG2-CG2 3.79Å; K425-V434 HydrophobicContact CD-CB 4.36Å; K425-V434 VanDerWaalsContact CE-CB 3.46Å; K425-V434 WeakPolarHBondContact CE-O 3.33Å; K425-V434 HydrophobicContact CG-CB 3.83Å; K425-V434 HydrophobicContact CG-CG1 4.14Å; K425-V434 HydrophobicContact CG-CG2 4.24Å; K425-V434 PolarHBondContact NZ-O 3.02Å; V432-V434 HydrophobicContact CB-CG2 4.19Å; V432-V434 HydrophobicContact CG2-CG2 3.67Å
435H81.2Confident81.6Confident10 Ų1038.7 Ų38.75%0.04622%0.22CC..EExtended strand (participates in β ladder)trans-85.1165.3176.8179.649.2000112S412 E413 I414 Q416 K456S412-H435 PolarHBondContact O-N 3.35Å; E413-H435 HydrophobicContact CB-CB 3.61Å; E413-H435 VanDerWaalsContact CD-ND1 3.27Å; E413-H435 HydrophobicContact CG-CB 3.51Å; E413-H435 IonicContact OE1-CE1 3.3Å; E413-H435 IonicContact OE1-CG 2.8Å; E413-H435 IonicContact OE1-ND1 2.63Å; E413-H435 PolarHBondContact OE1-ND1 2.68Å; E413-H435 IonicContact OE2-ND1 2.76Å; I414-H435 WeakPolarHBondContact O-CA 3.46Å; I414-H435 WeakPolarHBondContact O-CB 3.27Å; I414-H435 PolarHBondContact O-N 3.35Å; Q416-H435 CarbonylContact C-O 3.57Å; Q416-H435 PolarHBondContact N-O 3Å; Q416-H435 VanDerWaalsContact N-O 3.09Å; H435-K456 PolarHBondContact CE1-NZ 3.47Å; H435-K456 VanDerWaalsContact CE1-NZ 3.32Å; H435-K456 VanDerWaalsContact NE2-CD 3.3Å; H435-K456 WeakPolarHBondContact NE2-CD 3.29Å
436S82Confident81Confident25 Ų2540 Ų4018%0.17523%0.227CC..EExtended strand (participates in β ladder)trans-124.5121.7168-171.20000110.9Q416 M417 L418 V438Q416-S436 CarbonylContact O-C 3.55Å; Q416-S436 WeakPolarHBondContact O-CA 3.1Å; M417-S436 WeakPolarHBondContact CA-OG 3.35Å; L418-S436 WeakPolarHBondContact CD2-OG 3.22Å; L418-S436 WeakPolarHBondContact CG-OG 3.44Å; L418-S436 PolarHBondContact N-OG 3.45Å; S436-V438 WeakPolarHBondContact CB-O 3.43Å; S436-V438 PolarHBondContact OG-O 3.3Å
437I84.4Confident80.5Confident2 Ų238.8 Ų38.81%0.0122%0.221CC..SBendtrans-54.5-59.8168.7-61.9164000108.7T415 Q416 M417 P439 Y447 D453 W476 L480T415-I437 HydrophobicContact CG2-CD1 3.81Å; T415-I437 HydrophobicContact CG2-CG1 3.36Å; Q416-I437 WeakPolarHBondContact O-CG1 3.46Å; Q416-I437 PolarHBondContact O-N 3.36Å; M417-I437 HydrophobicContact CE-CD1 4.18Å; I437-P439 WeakPolarHBondContact O-CD 3.42Å; I437-Y447 HydrophobicContact CG2-CD1 4.01Å; I437-Y447 HydrophobicContact CG2-CE1 3.58Å; I437-Y447 PolarHBondContact O-OH 2.87Å; I437-D453 HydrophobicContact CG2-CB 4.16Å; I437-W476 HydrophobicContact CG2-CH2 3.87Å; I437-W476 HydrophobicContact CG2-CZ3 4.11Å; I437-L480 HydrophobicContact CD1-CD2 4.16Å; I437-L480 HydrophobicContact CG2-CD2 4.32Å
438V82Confident80.1Confident2 Ų246.9 Ų46.91%0.01226%0.259CS..SBendtrans-75.1122.7179.3-178.90000109.1M417 L418 S436 T442 P444 Y447 W476M417-V438 HydrophobicContact CE-CG2 3.99Å; M417-V438 HydrophobicContact CG-CG2 4.37Å; M417-V438 HydrophobicContact SD-CG2 3.7Å; L418-V438 WeakPolarHBondContact CD2-O 3.45Å; L418-V438 WeakPolarHBondContact CG-O 3.34Å; S436-V438 WeakPolarHBondContact CB-O 3.43Å; S436-V438 PolarHBondContact OG-O 3.3Å; V438-T442 HydrophobicContact CG1-CG2 4.16Å; V438-T442 WeakPolarHBondContact CG1-O 3.44Å; V438-P444 HydrophobicContact CG1-CB 4.31Å; V438-P444 HydrophobicContact CG2-CB 4.14Å; V438-Y447 HydrophobicContact CG2-CD1 4.11Å; V438-Y447 HydrophobicContact CG2-CG 4.05Å; V438-W476 HydrophobicContact CG2-CH2 4.18Å; V438-W476 HydrophobicContact CG2-CZ2 4.02Å
439P76.6Confident79.9Confident42 Ų4248.8 Ų48.827%0.27327%0.271SS..PPolyproline II helixtrans-69.2155.9179.5-21.633.8000113.8I437 G441 T442 Y447I437-P439 WeakPolarHBondContact O-CD 3.42Å; P439-G441 PolarHBondContact O-N 2.7Å; P439-G441 VanDerWaalsContact O-N 3.17Å; P439-T442 WeakPolarHBondContact O-CB 3.4Å; P439-T442 PolarHBondContact O-N 3.31Å; P439-Y447 VanDerWaalsContact CD-CE2 3.49Å; P439-Y447 HydrophobicContact CG-CE2 4.33Å
440V70.4Confident79.8Confident72 Ų7249.5 Ų49.544%0.43628%0.278SS..THydrogen-bonded Turntrans-58.5118.6173.2172.60000110L418 K659L418-V440 HydrophobicContact CD2-CB 4.43Å; L418-V440 HydrophobicContact CD2-CG2 3.56Å; V440-K659 HydrophobicContact CG1-CG 4.16Å
441G68.4Low79.7Confident56 Ų5647.5 Ų47.558%0.57727%0.273SS*.THydrogen-bonded Turntrans91.48.4-176.600000115.2P439 S656P439-G441 PolarHBondContact O-N 2.7Å; P439-G441 VanDerWaalsContact O-N 3.17Å; G441-S656 PolarHBondContact N-OG 3.43Å
442T74.7Confident79.7Confident49 Ų4947.8 Ų47.830%0.30128%0.275SS..  trans-103.8145.8175.4-57.80000111.1V438 P439 Y447V438-T442 HydrophobicContact CG1-CG2 4.16Å; V438-T442 WeakPolarHBondContact CG1-O 3.44Å; P439-T442 WeakPolarHBondContact O-CB 3.4Å; P439-T442 PolarHBondContact O-N 3.31Å; T442-Y447 HydrophobicContact CG2-CD2 3.61Å; T442-Y447 HydrophobicContact CG2-CE2 3.97Å
443D75.9Confident80Confident45 Ų4547.3 Ų47.324%0.24127%0.272CS..  trans-72.3125.2175.7-170.4-27.9000111.1H445D443-H445 VanDerWaalsContact OD1-CB 3.28Å; D443-H445 WeakPolarHBondContact OD1-CB 3.47Å; D443-H445 IonicContact OD1-CD2 3.89Å; D443-H445 PolarHBondContact OD1-CD2 2.96Å; D443-H445 IonicContact OD1-CG 2.91Å; D443-H445 PolarHBondContact OD1-N 3.47Å
444P81.7Confident80.2Confident4 Ų448.3 Ų48.33%0.02627%0.273CS..SBendtrans-78.6-15.3176.133.8-38.1000115V438 L470 W476 D655V438-P444 HydrophobicContact CG1-CB 4.31Å; V438-P444 HydrophobicContact CG2-CB 4.14Å; P444-L470 HydrophobicContact CB-CD1 4.43Å; P444-L470 HydrophobicContact CB-CD2 4.3Å; P444-L470 HydrophobicContact CB-CG 4.24Å; P444-L470 HydrophobicContact CG-CD1 3.74Å; P444-L470 HydrophobicContact CG-CD2 4.2Å; P444-L470 HydrophobicContact CG-CG 4.08Å; P444-W476 PolarHBondContact O-NE1 3.01Å; P444-D655 HydrophobicContact CG-CB 4.35Å
445H81.1Confident80.4Confident13 Ų1354 Ų546%0.0630%0.298CS..SBendtrans-74.3-40.9-180-62.4-81.6000112.3D443 N474D443-H445 VanDerWaalsContact OD1-CB 3.28Å; D443-H445 WeakPolarHBondContact OD1-CB 3.47Å; D443-H445 IonicContact OD1-CD2 3.89Å; D443-H445 PolarHBondContact OD1-CD2 2.96Å; D443-H445 IonicContact OD1-CG 2.91Å; D443-H445 PolarHBondContact OD1-N 3.47Å; H445-N474 PolarHBondContact O-ND2 2.69Å
446E76.6Confident80.5Confident107 Ų10755 Ų5550%0.530%0.302SS..SBendtrans-114.524.9-172.8-63.3-171.8174.100113
447Y83.7Confident80.7Confident18 Ų1853.8 Ų53.87%0.07129%0.294CS..  trans-68.2136.6-177.5-170.2-115.2000113.5I437 V438 P439 T442 P449 D453 W476I437-Y447 HydrophobicContact CG2-CD1 4.01Å; I437-Y447 HydrophobicContact CG2-CE1 3.58Å; I437-Y447 PolarHBondContact O-OH 2.87Å; V438-Y447 HydrophobicContact CG2-CD1 4.11Å; V438-Y447 HydrophobicContact CG2-CG 4.05Å; P439-Y447 VanDerWaalsContact CD-CE2 3.49Å; P439-Y447 HydrophobicContact CG-CE2 4.33Å; T442-Y447 HydrophobicContact CG2-CD2 3.61Å; T442-Y447 HydrophobicContact CG2-CE2 3.97Å; Y447-P449 HydrophobicContact CD1-CG 4.37Å; Y447-D453 VanDerWaalsContact CE1-OD2 3.3Å; Y447-D453 WeakPolarHBondContact CE1-OD2 3.42Å; Y447-D453 PolarHBondContact OH-OD2 2.7Å; Y447-W476 HydrophobicContact CD1-CE3 4.4Å; Y447-W476 AromaticContact CD1-CH2 3.76Å; Y447-W476 HydrophobicContact CD1-CH2 3.76Å; Y447-W476 HydrophobicContact CD1-CZ2 4.08Å; Y447-W476 AromaticContact CD1-CZ3 3.96Å; Y447-W476 HydrophobicContact CD1-CZ3 3.96Å; Y447-W476 HydrophobicContact CG-CZ2 4.39Å; Y447-W476 WeakPolarHBondContact O-CB 3.21Å; Y447-W476 VanDerWaalsContact O-CG 3.24Å
448E84.1Confident80.7Confident171 Ų17156.2 Ų56.280%0.79931%0.311SS*.  trans-101.8111.5168.7-67.7-164.714700110.2L450E448-L450 PolarHBondContact O-N 2.79Å
449P85.5Confident81Confident40 Ų4062 Ų6226%0.2634%0.338SS..  trans-61.4128.5179.8-2736.5000113.9Y447 D453 W476 L480Y447-P449 HydrophobicContact CD1-CG 4.37Å; P449-D453 HydrophobicContact CB-CB 4.3Å; P449-W476 HydrophobicContact CG-CD2 4.44Å; P449-W476 HydrophobicContact CG-CE3 3.4Å; P449-W476 VanDerWaalsContact CG-CE3 3.4Å; P449-W476 HydrophobicContact CG-CZ3 3.68Å; P449-L480 HydrophobicContact CB-CD1 4Å; P449-L480 HydrophobicContact CB-CD2 4.23Å; P449-L480 HydrophobicContact CG-CB 4.24Å; P449-L480 HydrophobicContact CG-CD1 4.41Å; P449-L480 HydrophobicContact CG-CD2 4.11Å; P449-L480 HydrophobicContact CG-CG 4.48Å
450L85.8Confident81.4Confident93 Ų9360.2 Ų60.249%0.48733%0.327SS..  trans-76.3161175.3-58.2177.9000111.1E448 E452 D453 I454E448-L450 PolarHBondContact O-N 2.79Å; L450-E452 PolarHBondContact O-N 3.39Å; L450-E452 VanDerWaalsContact O-N 3.17Å; L450-D453 WeakPolarHBondContact CB-OD2 3.49Å; L450-D453 PolarHBondContact N-OD2 3.21Å; L450-D453 WeakPolarHBondContact O-CA 3.4Å; L450-D453 WeakPolarHBondContact O-CB 3.37Å; L450-D453 PolarHBondContact O-N 2.91Å; L450-I454 PolarHBondContact O-N 3.22Å
451P79.4Confident82.1Confident108 Ų10862.6 Ų62.670%0.70134%0.337SS*.Hα-helixtrans-57.1-29.3172.6-26.836000113.9K455P451-K455 WeakPolarHBondContact O-CB 3.47Å; P451-K455 PolarHBondContact O-N 3.46Å; P451-K455 VanDerWaalsContact O-N 3.09Å
452E81.6Confident83.1Confident91 Ų9160.3 Ų60.343%0.42531%0.312SS..Hα-helixtrans-66-41172.1-169.4179.7157.200111.4L450 K455 K456L450-E452 PolarHBondContact O-N 3.39Å; L450-E452 VanDerWaalsContact O-N 3.17Å; E452-K455 PolarHBondContact O-N 2.7Å; E452-K456 HydrophobicContact CG-CD 4.14Å; E452-K456 HydrophobicContact CG-CG 4.47Å; E452-K456 WeakPolarHBondContact O-CB 3.23Å; E452-K456 WeakPolarHBondContact O-CG 3.22Å; E452-K456 PolarHBondContact O-N 3.39Å; E452-K456 WeakPolarHBondContact OE1-CE 3.38Å; E452-K456 IonicContact OE1-NZ 2.64Å; E452-K456 PolarHBondContact OE1-NZ 3.14Å
453D84.2Confident83.9Confident6 Ų658 Ų583%0.03230%0.297CS..Hα-helixtrans-68.1-40.8178.9-53-29.4000111I437 Y447 P449 L450 K455 K456 T457I437-D453 HydrophobicContact CG2-CB 4.16Å; Y447-D453 VanDerWaalsContact CE1-OD2 3.3Å; Y447-D453 WeakPolarHBondContact CE1-OD2 3.42Å; Y447-D453 PolarHBondContact OH-OD2 2.7Å; P449-D453 HydrophobicContact CB-CB 4.3Å; L450-D453 WeakPolarHBondContact CB-OD2 3.49Å; L450-D453 PolarHBondContact N-OD2 3.21Å; L450-D453 WeakPolarHBondContact O-CA 3.4Å; L450-D453 WeakPolarHBondContact O-CB 3.37Å; L450-D453 PolarHBondContact O-N 2.91Å; D453-K455 VanDerWaalsContact C-N 3.34Å; D453-K455 PolarHBondContact O-N 3.17Å; D453-K456 PolarHBondContact O-N 2.94Å; D453-T457 WeakPolarHBondContact O-CB 3.49Å; D453-T457 PolarHBondContact O-N 3.39Å; D453-T457 PolarHBondContact O-OG1 2.97Å
454I84.9Confident84.7Confident59 Ų5955.8 Ų55.830%0.30329%0.286SS..Hα-helixtrans-60.3-45.6174-62.9169.2000110.3L450 S458 L480 T483L450-I454 PolarHBondContact O-N 3.22Å; I454-S458 WeakPolarHBondContact O-CB 3.31Å; I454-S458 PolarHBondContact O-N 2.94Å; I454-S458 PolarHBondContact O-OG 2.84Å; I454-L480 HydrophobicContact CB-CD1 4.27Å; I454-L480 HydrophobicContact CG1-CD1 3.69Å; I454-T483 HydrophobicContact CG2-CG2 3.73Å
455K84.9Confident85.2Confident121 Ų12156.7 Ų56.753%0.52629%0.289SS..Hα-helixtrans-60.8-56.6176.6-175.9-168.2171.2-160.50111P451 E452 D453 T457 S458 E459P451-K455 WeakPolarHBondContact O-CB 3.47Å; P451-K455 PolarHBondContact O-N 3.46Å; P451-K455 VanDerWaalsContact O-N 3.09Å; E452-K455 PolarHBondContact O-N 2.7Å; D453-K455 VanDerWaalsContact C-N 3.34Å; D453-K455 PolarHBondContact O-N 3.17Å; K455-T457 VanDerWaalsContact C-N 3.31Å; K455-T457 PolarHBondContact O-N 2.74Å; K455-S458 WeakPolarHBondContact O-CA 3.44Å; K455-S458 WeakPolarHBondContact O-CB 3.42Å; K455-S458 PolarHBondContact O-N 3.46Å; K455-E459 WeakPolarHBondContact CE-OE1 3.36Å; K455-E459 WeakPolarHBondContact CE-OE2 3.43Å; K455-E459 IonicContact NZ-OE1 2.76Å; K455-E459 IonicContact NZ-OE2 3.81Å; K455-E459 WeakPolarHBondContact O-CG 3.38Å; K455-E459 PolarHBondContact O-N 3.15Å
456K83.2Confident85.8Confident31 Ų3156 Ų5614%0.13529%0.286CS..Hα-helixtrans-65.3-31.5-177.3-72.4-177.3178.6176.50113.1E413 T415 H435 E452 D453 A460E413-K456 IonicContact OE1-NZ 3.62Å; E413-K456 VanDerWaalsContact OE2-CE 3.3Å; E413-K456 WeakPolarHBondContact OE2-CE 3.41Å; E413-K456 IonicContact OE2-NZ 3.91Å; E413-K456 PolarHBondContact OE2-NZ 3.24Å; T415-K456 HydrophobicContact CG2-CB 4.49Å; T415-K456 WeakPolarHBondContact OG1-CB 3.3Å; T415-K456 PolarHBondContact OG1-O 2.78Å; H435-K456 PolarHBondContact CE1-NZ 3.47Å; H435-K456 VanDerWaalsContact CE1-NZ 3.32Å; H435-K456 VanDerWaalsContact NE2-CD 3.3Å; H435-K456 WeakPolarHBondContact NE2-CD 3.29Å; E452-K456 HydrophobicContact CG-CD 4.14Å; E452-K456 HydrophobicContact CG-CG 4.47Å; E452-K456 WeakPolarHBondContact O-CB 3.23Å; E452-K456 WeakPolarHBondContact O-CG 3.22Å; E452-K456 PolarHBondContact O-N 3.39Å; E452-K456 WeakPolarHBondContact OE1-CE 3.38Å; E452-K456 IonicContact OE1-NZ 2.64Å; E452-K456 PolarHBondContact OE1-NZ 3.14Å; D453-K456 PolarHBondContact O-N 2.94Å; K456-A460 VanDerWaalsContact O-CB 3.25Å; K456-A460 WeakPolarHBondContact O-CB 3.35Å; K456-A460 PolarHBondContact O-N 3Å
457T84.8Confident86.4Confident0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-66.9-44.2171.6-570000110D453 K455 E459 A460 V463 L480 M481 A484 K486D453-T457 WeakPolarHBondContact O-CB 3.49Å; D453-T457 PolarHBondContact O-N 3.39Å; D453-T457 PolarHBondContact O-OG1 2.97Å; K455-T457 VanDerWaalsContact C-N 3.31Å; K455-T457 PolarHBondContact O-N 2.74Å; T457-E459 PolarHBondContact O-N 2.67Å; T457-A460 PolarHBondContact O-N 3.1Å; T457-V463 HydrophobicContact CG2-CG2 4.07Å; T457-L480 HydrophobicContact CG2-CD2 4.47Å; T457-L480 HydrophobicContact CG2-CG 4.16Å; T457-M481 HydrophobicContact CG2-CE 3.48Å; T457-M481 VanDerWaalsContact CG2-CE 3.48Å; T457-M481 HydrophobicContact CG2-SD 4.32Å; T457-A484 HydrophobicContact CG2-CB 3.55Å; T457-K486 WeakPolarHBondContact O-CE 3.49Å; T457-K486 PolarHBondContact O-NZ 3.21Å
458S85.7Confident86.8Confident53 Ų5350.9 Ų50.937%0.37126%0.264SS..Hα-helixtrans-60.8-44.1177.1-56.70000112I454 K455 K486I454-S458 WeakPolarHBondContact O-CB 3.31Å; I454-S458 PolarHBondContact O-N 2.94Å; I454-S458 PolarHBondContact O-OG 2.84Å; K455-S458 WeakPolarHBondContact O-CA 3.44Å; K455-S458 WeakPolarHBondContact O-CB 3.42Å; K455-S458 PolarHBondContact O-N 3.46Å; S458-K486 WeakPolarHBondContact O-CE 3.23Å; S458-K486 PolarHBondContact O-NZ 2.8Å
459E87.1Confident87Confident124 Ų12444.2 Ų44.258%0.57923%0.234SC*.Hα-helixtrans-74.7-24.4-177.8-70.2174.8162.200114.1K455 T457K455-E459 WeakPolarHBondContact CE-OE1 3.36Å; K455-E459 WeakPolarHBondContact CE-OE2 3.43Å; K455-E459 IonicContact NZ-OE1 2.76Å; K455-E459 IonicContact NZ-OE2 3.81Å; K455-E459 WeakPolarHBondContact O-CG 3.38Å; K455-E459 PolarHBondContact O-N 3.15Å; T457-E459 PolarHBondContact O-N 2.67Å
460A84.9Confident87.1Confident4 Ų442.4 Ų42.43%0.03322%0.222CC..  trans-68.1132.4-177.800000113.9I414 K456 T457 V462 V463 K486I414-A460 HydrophobicContact CG2-CB 3.53Å; K456-A460 VanDerWaalsContact O-CB 3.25Å; K456-A460 WeakPolarHBondContact O-CB 3.35Å; K456-A460 PolarHBondContact O-N 3Å; T457-A460 PolarHBondContact O-N 3.1Å; A460-V462 VanDerWaalsContact C-N 3.35Å; A460-V462 PolarHBondContact O-N 2.9Å; A460-V463 HydrophobicContact CB-CG2 4.21Å; A460-K486 PolarHBondContact O-NZ 3.26Å
461D85.1Confident87.2Confident121 Ų12138 Ų3865%0.64720%0.199SC*.SBendtrans-63.8-39.2177.4-51.4-86.9000112.5
462V90Very high87.4Confident8 Ų834.9 Ų34.95%0.04818%0.178CC..  trans-141.8140.4176.162.80000111.2A460 F464 F493 V532 Q536A460-V462 VanDerWaalsContact C-N 3.35Å; A460-V462 PolarHBondContact O-N 2.9Å; V462-F464 HydrophobicContact CB-CE2 4.46Å; V462-F464 HydrophobicContact CG1-CD2 4.4Å; V462-F464 HydrophobicContact CG1-CE2 3.8Å; V462-F464 HydrophobicContact CG2-CD2 4.19Å; V462-F464 HydrophobicContact CG2-CE2 3.79Å; V462-F464 HydrophobicContact CG2-CZ 4.27Å; V462-F493 HydrophobicContact CG2-CD2 3.71Å; V462-F493 HydrophobicContact CG2-CE2 3.88Å; V462-V532 HydrophobicContact CG2-CG1 3.97Å; V462-Q536 HydrophobicContact CB-CG 4.38Å; V462-Q536 HydrophobicContact CG2-CG 4.33Å
463V91.7Very high87.3Confident0 Ų032.3 Ų32.30%018%0.176CC..EExtended strand (participates in β ladder)trans-113.9137.2175.3179.80000110T457 A460 F477 M481 D491 Y492 F493T457-V463 HydrophobicContact CG2-CG2 4.07Å; A460-V463 HydrophobicContact CB-CG2 4.21Å; V463-F477 HydrophobicContact CG1-CE2 4.35Å; V463-F477 HydrophobicContact CG1-CZ 4.34Å; V463-M481 HydrophobicContact CG1-CE 4.16Å; V463-M481 HydrophobicContact CG1-SD 4.26Å; V463-D491 PolarHBondContact N-O 2.9Å; V463-Y492 CarbonylContact O-C 3.58Å; V463-Y492 WeakPolarHBondContact O-CA 3.42Å; V463-F493 PolarHBondContact O-N 2.9Å
464F92.8Very high87Confident0 Ų035.7 Ų35.70%019%0.194CC..EExtended strand (participates in β ladder)trans-118.8136.1174.9-70.8-94.6000110.8Q416 V420 I424 V462 F493 V495 I529 V532 L533Q416-F464 HydrophobicContact CG-CB 4.2Å; Q416-F464 HydrophobicContact CG-CD2 4.25Å; V420-F464 HydrophobicContact CG1-CB 4.2Å; I424-F464 HydrophobicContact CD1-CB 3.61Å; I424-F464 HydrophobicContact CD1-CD1 3.91Å; I424-F464 HydrophobicContact CD1-CD2 3.42Å; I424-F464 VanDerWaalsContact CD1-CD2 3.42Å; I424-F464 HydrophobicContact CD1-CE1 4.34Å; I424-F464 HydrophobicContact CD1-CE2 3.9Å; I424-F464 HydrophobicContact CD1-CG 3.38Å; I424-F464 HydrophobicContact CD1-CZ 4.31Å; V462-F464 HydrophobicContact CB-CE2 4.46Å; V462-F464 HydrophobicContact CG1-CD2 4.4Å; V462-F464 HydrophobicContact CG1-CE2 3.8Å; V462-F464 HydrophobicContact CG2-CD2 4.19Å; V462-F464 HydrophobicContact CG2-CE2 3.79Å; V462-F464 HydrophobicContact CG2-CZ 4.27Å; F464-F493 WeakPolarHBondContact CA-O 3.02Å; F464-F493 HydrophobicContact CD1-CB 4.35Å; F464-F493 HydrophobicContact CE1-CB 4.47Å; F464-V495 HydrophobicContact CB-CG1 4.29Å; F464-V495 HydrophobicContact CD1-CG1 3.63Å; F464-V495 HydrophobicContact CE1-CG1 4.4Å; F464-V495 HydrophobicContact CG-CG1 4.39Å; F464-I529 HydrophobicContact CE1-CG1 4.39Å; F464-V532 HydrophobicContact CE1-CB 3.7Å; F464-V532 HydrophobicContact CE1-CG1 3.68Å; F464-V532 HydrophobicContact CE1-CG2 4.2Å; F464-V532 HydrophobicContact CE2-CG1 4.3Å; F464-V532 HydrophobicContact CZ-CB 3.68Å; F464-V532 HydrophobicContact CZ-CG1 3.4Å; F464-V532 VanDerWaalsContact CZ-CG1 3.4Å; F464-L533 HydrophobicContact CE2-CD2 4.14Å; F464-L533 HydrophobicContact CZ-CD2 4.31Å; F464-L533 HydrophobicContact CZ-CG 4.25Å
465Y93.1Very high87Confident22 Ų2233.6 Ų33.69%0.08619%0.187CC..EExtended strand (participates in β ladder)trans-130.5159.2174.675-68.1000110.1E471 T472 F477 Y492 F493 A494 V495Y465-E471 WeakPolarHBondContact CD2-OE2 3.36Å; Y465-T472 HydrophobicContact CE2-CG2 4.21Å; Y465-F477 AromaticContact CD1-CE1 3.85Å; Y465-F477 HydrophobicContact CD1-CE1 3.85Å; Y465-F477 AromaticContact CD1-CZ 3.74Å; Y465-F477 HydrophobicContact CD1-CZ 3.74Å; Y465-F477 HydrophobicContact CD2-CD1 4.28Å; Y465-F477 AromaticContact CD2-CE1 3.9Å; Y465-F477 HydrophobicContact CD2-CE1 3.9Å; Y465-F477 HydrophobicContact CD2-CZ 4.2Å; Y465-F477 HydrophobicContact CE1-CE1 4.19Å; Y465-F477 HydrophobicContact CE1-CZ 4.48Å; Y465-F477 HydrophobicContact CE2-CE1 4.23Å; Y465-F477 HydrophobicContact CG-CD1 4.47Å; Y465-F477 AromaticContact CG-CE1 3.72Å; Y465-F477 HydrophobicContact CG-CE1 3.72Å; Y465-F477 HydrophobicContact CG-CE2 4.24Å; Y465-F477 AromaticContact CG-CZ 3.59Å; Y465-F477 HydrophobicContact CG-CZ 3.59Å; Y465-Y492 HydrophobicContact CD1-CD2 4.07Å; Y465-Y492 AromaticContact CE1-CD2 3.65Å; Y465-Y492 HydrophobicContact CE1-CD2 3.65Å; Y465-Y492 HydrophobicContact CE1-CE2 4.07Å; Y465-F493 VanDerWaalsContact CD1-C 3.44Å; Y465-F493 VanDerWaalsContact CD1-O 3.26Å; Y465-F493 WeakPolarHBondContact CD1-O 3.49Å; Y465-F493 VanDerWaalsContact CE1-C 3.4Å; Y465-F493 PolarHBondContact N-O 3.39Å; Y465-F493 VanDerWaalsContact N-O 3.16Å; Y465-A494 HydrophobicContact CD1-CB 4.39Å; Y465-A494 HydrophobicContact CE1-CB 3.79Å; Y465-A494 HydrophobicContact CE2-CB 4.36Å; Y465-A494 CarbonylContact O-C 3.14Å; Y465-A494 WeakPolarHBondContact O-CA 3.38Å; Y465-V495 WeakPolarHBondContact O-CG2 3.38Å; Y465-V495 PolarHBondContact O-N 3.39Å
466N91.6Very high87.2Confident0 Ų028.3 Ų28.30%016%0.163CC..  trans-60.7-56.1177.4-172.277.7000110.3L470 E471 S496 P513 W516 Y525N466-L470 HydrophobicContact CB-CB 4.09Å; N466-L470 HydrophobicContact CB-CD2 3.53Å; N466-L470 HydrophobicContact CB-CG 4.44Å; N466-E471 WeakPolarHBondContact CA-OE1 3.46Å; N466-E471 WeakPolarHBondContact CB-OE1 3.33Å; N466-E471 PolarHBondContact N-OE1 3.5Å; N466-E471 PolarHBondContact N-OE2 3.28Å; N466-S496 WeakPolarHBondContact O-CB 3.25Å; N466-S496 PolarHBondContact O-N 2.88Å; N466-S496 VanDerWaalsContact O-N 3.11Å; N466-S496 PolarHBondContact O-OG 3.01Å; N466-P513 PolarHBondContact ND2-O 2.94Å; N466-P513 VanDerWaalsContact ND2-O 3.08Å; N466-W516 VanDerWaalsContact OD1-CE3 3.22Å; N466-Y525 VanDerWaalsContact OD1-CE1 3.26Å; N466-Y525 WeakPolarHBondContact OD1-CE1 3.43Å; N466-Y525 PolarHBondContact OD1-OH 3.36Å
467G91Very high87.6Confident5 Ų526.8 Ų26.85%0.05216%0.157CC..  trans86.9-155.8-163.600000111.4N469 L470 E471G467-N469 VanDerWaalsContact C-N 3.28Å; G467-N469 PolarHBondContact O-N 3.31Å; G467-L470 WeakPolarHBondContact O-CB 3.24Å; G467-L470 PolarHBondContact O-N 3.42Å; G467-L470 VanDerWaalsContact O-N 3.09Å; G467-E471 PolarHBondContact N-OE2 3.19Å
468L91.3Very high87.9Confident11 Ų1130.1 Ų30.16%0.05818%0.175CC..THydrogen-bonded Turntrans50.742.4179.9-61.3170.9000113.7L470 V499 P501 E511 P513 A515L468-L470 PolarHBondContact O-N 3.43Å; L468-V499 HydrophobicContact CD1-CG1 4.4Å; L468-P501 HydrophobicContact CD2-CB 3.77Å; L468-P501 HydrophobicContact CD2-CG 3.82Å; L468-E511 WeakPolarHBondContact CA-OE2 3.45Å; L468-E511 HydrophobicContact CB-CB 4.21Å; L468-E511 HydrophobicContact CD2-CB 4.03Å; L468-E511 HydrophobicContact CD2-CG 4.37Å; L468-P513 WeakPolarHBondContact O-CA 3.43Å; L468-P513 VanDerWaalsContact O-CB 3.25Å; L468-P513 WeakPolarHBondContact O-CB 3.45Å; L468-A515 HydrophobicContact CD1-CB 3.39Å
469N87.7Confident88.2Confident32 Ų3233.7 Ų33.717%0.17118%0.184CC..THydrogen-bonded Turntrans62.318-179.6-169.792.4000115G467 Q510G467-N469 VanDerWaalsContact C-N 3.28Å; G467-N469 PolarHBondContact O-N 3.31Å; N469-Q510 PolarHBondContact OD1-NE2 3.23Å
470L88.4Confident88.5Confident1 Ų128 Ų281%0.00516%0.157CC..SBendtrans-69.4-71.1172.8-174.171.8000110.8R419 P444 N466 G467 L468 P513 W516R419-L470 VanDerWaalsContact NH2-CD2 3.32Å; P444-L470 HydrophobicContact CB-CD1 4.43Å; P444-L470 HydrophobicContact CB-CD2 4.3Å; P444-L470 HydrophobicContact CB-CG 4.24Å; P444-L470 HydrophobicContact CG-CD1 3.74Å; P444-L470 HydrophobicContact CG-CD2 4.2Å; P444-L470 HydrophobicContact CG-CG 4.08Å; N466-L470 HydrophobicContact CB-CB 4.09Å; N466-L470 HydrophobicContact CB-CD2 3.53Å; N466-L470 HydrophobicContact CB-CG 4.44Å; G467-L470 WeakPolarHBondContact O-CB 3.24Å; G467-L470 PolarHBondContact O-N 3.42Å; G467-L470 VanDerWaalsContact O-N 3.09Å; L468-L470 PolarHBondContact O-N 3.43Å; L470-P513 HydrophobicContact CB-CB 3.61Å; L470-P513 HydrophobicContact CB-CG 4.5Å; L470-P513 HydrophobicContact CD1-CB 3.87Å; L470-P513 HydrophobicContact CD1-CG 4.18Å; L470-P513 HydrophobicContact CG-CB 4.33Å; L470-W516 HydrophobicContact CD1-CH2 4.15Å; L470-W516 HydrophobicContact CD1-CZ3 4.33Å; L470-W516 HydrophobicContact CD2-CZ3 4.13Å
471E87.2Confident88.9Confident0 Ų027.9 Ų27.90%016%0.156CC..SBendtrans-82.2-24.4-175-55.284.5173.400113.8M417 Y465 N466 G467 W476 F477M417-E471 HydrophobicContact CE-CB 4.28Å; M417-E471 HydrophobicContact CE-CG 3.37Å; M417-E471 HydrophobicContact SD-CG 3.54Å; M417-E471 VanDerWaalsContact SD-CG 3.54Å; Y465-E471 WeakPolarHBondContact CD2-OE2 3.36Å; N466-E471 WeakPolarHBondContact CA-OE1 3.46Å; N466-E471 WeakPolarHBondContact CB-OE1 3.33Å; N466-E471 PolarHBondContact N-OE1 3.5Å; N466-E471 PolarHBondContact N-OE2 3.28Å; G467-E471 PolarHBondContact N-OE2 3.19Å; E471-W476 HydrophobicContact CB-CZ2 4.28Å; E471-W476 HydrophobicContact CG-CZ2 4.39Å; E471-W476 PolarHBondContact O-NE1 2.88Å; E471-F477 HydrophobicContact CB-CB 3.68Å; E471-F477 HydrophobicContact CB-CD2 4.03Å; E471-F477 HydrophobicContact CB-CG 3.86Å; E471-F477 HydrophobicContact CG-CD2 4.39Å; E471-F477 WeakPolarHBondContact O-CB 3.45Å
472T84.8Confident89.2Confident43 Ų4328.2 Ų28.226%0.26416%0.158SC..SBendtrans-89.7-5.8-17653.80000113Y465 N474 G475 F477Y465-T472 HydrophobicContact CE2-CG2 4.21Å; T472-N474 VanDerWaalsContact C-N 3.31Å; T472-N474 PolarHBondContact O-N 3.2Å; T472-G475 PolarHBondContact O-N 2.86Å; T472-F477 HydrophobicContact CG2-CD1 4.28Å
473G78.4Confident89.4Confident37 Ų3731.6 Ų31.638%0.38118%0.178SC..THydrogen-bonded Turntrans-58-33.5-171.200000115.5
474N79.1Confident89.3Confident78 Ų7832 Ų3242%0.41718%0.182SC..THydrogen-bonded Turntrans-113.66.3172.476.14.2000113.1H445 T472 W476 K479H445-N474 PolarHBondContact O-ND2 2.69Å; T472-N474 VanDerWaalsContact C-N 3.31Å; T472-N474 PolarHBondContact O-N 3.2Å; N474-W476 VanDerWaalsContact C-N 3.34Å; N474-W476 PolarHBondContact O-N 3.24Å; N474-W476 WeakPolarHBondContact OD1-CB 3.4Å; N474-W476 PolarHBondContact OD1-N 3.38Å; N474-K479 PolarHBondContact O-NZ 3.36Å; N474-K479 VanDerWaalsContact O-NZ 3.16Å
475G84.7Confident89.2Confident14 Ų1440.4 Ų40.414%0.14422%0.218CC..SBendtrans64.723.6-175.300000115.9T472 D478 K479T472-G475 PolarHBondContact O-N 2.86Å; G475-D478 WeakPolarHBondContact CA-OD2 3.17Å; G475-K479 WeakPolarHBondContact O-CD 3Å; G475-K479 WeakPolarHBondContact O-CE 3.14Å; G475-K479 VanDerWaalsContact O-CG 3.23Å; G475-K479 WeakPolarHBondContact O-CG 3.42Å; G475-K479 PolarHBondContact O-N 3.22Å; G475-K479 PolarHBondContact O-NZ 3.44Å
476W88.5Confident89.1Confident10 Ų1041 Ų414%0.03822%0.221CC..Hα-helixtrans-65.2-42.2173.677-108.1000111.1M417 I437 V438 P444 Y447 P449 E471 N474 K479 L480M417-W476 HydrophobicContact CE-CH2 3.28Å; M417-W476 HydrophobicContact CE-CZ2 3.51Å; M417-W476 HydrophobicContact CE-CZ3 4.43Å; I437-W476 HydrophobicContact CG2-CH2 3.87Å; I437-W476 HydrophobicContact CG2-CZ3 4.11Å; V438-W476 HydrophobicContact CG2-CH2 4.18Å; V438-W476 HydrophobicContact CG2-CZ2 4.02Å; P444-W476 PolarHBondContact O-NE1 3.01Å; Y447-W476 HydrophobicContact CD1-CE3 4.4Å; Y447-W476 AromaticContact CD1-CH2 3.76Å; Y447-W476 HydrophobicContact CD1-CH2 3.76Å; Y447-W476 HydrophobicContact CD1-CZ2 4.08Å; Y447-W476 AromaticContact CD1-CZ3 3.96Å; Y447-W476 HydrophobicContact CD1-CZ3 3.96Å; Y447-W476 HydrophobicContact CG-CZ2 4.39Å; Y447-W476 WeakPolarHBondContact O-CB 3.21Å; Y447-W476 VanDerWaalsContact O-CG 3.24Å; P449-W476 HydrophobicContact CG-CD2 4.44Å; P449-W476 HydrophobicContact CG-CE3 3.4Å; P449-W476 VanDerWaalsContact CG-CE3 3.4Å; P449-W476 HydrophobicContact CG-CZ3 3.68Å; E471-W476 HydrophobicContact CB-CZ2 4.28Å; E471-W476 HydrophobicContact CG-CZ2 4.39Å; E471-W476 PolarHBondContact O-NE1 2.88Å; N474-W476 VanDerWaalsContact C-N 3.34Å; N474-W476 PolarHBondContact O-N 3.24Å; N474-W476 WeakPolarHBondContact OD1-CB 3.4Å; N474-W476 PolarHBondContact OD1-N 3.38Å; W476-K479 PolarHBondContact O-N 2.89Å; W476-L480 HydrophobicContact CE3-CD2 4.48Å; W476-L480 HydrophobicContact CZ3-CD2 3.75Å; W476-L480 PolarHBondContact O-N 2.86Å; W476-L480 VanDerWaalsContact O-N 3.09Å
477F91.6Very high89.2Confident0 Ų047.7 Ų47.70%025%0.25CS..Hα-helixtrans-66.2-41-178.5-178.2-95.1000112.3M417 V463 Y465 E471 T472 K479 L480 M481 Y492M417-F477 HydrophobicContact CE-CD2 4.12Å; M417-F477 HydrophobicContact CE-CE2 4.4Å; V463-F477 HydrophobicContact CG1-CE2 4.35Å; V463-F477 HydrophobicContact CG1-CZ 4.34Å; Y465-F477 AromaticContact CD1-CE1 3.85Å; Y465-F477 HydrophobicContact CD1-CE1 3.85Å; Y465-F477 AromaticContact CD1-CZ 3.74Å; Y465-F477 HydrophobicContact CD1-CZ 3.74Å; Y465-F477 HydrophobicContact CD2-CD1 4.28Å; Y465-F477 AromaticContact CD2-CE1 3.9Å; Y465-F477 HydrophobicContact CD2-CE1 3.9Å; Y465-F477 HydrophobicContact CD2-CZ 4.2Å; Y465-F477 HydrophobicContact CE1-CE1 4.19Å; Y465-F477 HydrophobicContact CE1-CZ 4.48Å; Y465-F477 HydrophobicContact CE2-CE1 4.23Å; Y465-F477 HydrophobicContact CG-CD1 4.47Å; Y465-F477 AromaticContact CG-CE1 3.72Å; Y465-F477 HydrophobicContact CG-CE1 3.72Å; Y465-F477 HydrophobicContact CG-CE2 4.24Å; Y465-F477 AromaticContact CG-CZ 3.59Å; Y465-F477 HydrophobicContact CG-CZ 3.59Å; E471-F477 HydrophobicContact CB-CB 3.68Å; E471-F477 HydrophobicContact CB-CD2 4.03Å; E471-F477 HydrophobicContact CB-CG 3.86Å; E471-F477 HydrophobicContact CG-CD2 4.39Å; E471-F477 WeakPolarHBondContact O-CB 3.45Å; T472-F477 HydrophobicContact CG2-CD1 4.28Å; F477-K479 VanDerWaalsContact C-N 3.32Å; F477-K479 PolarHBondContact O-N 3.29Å; F477-L480 WeakPolarHBondContact O-CB 3.45Å; F477-L480 PolarHBondContact O-N 3.41Å; F477-L480 VanDerWaalsContact O-N 3.09Å; F477-M481 HydrophobicContact CD1-CG 3.95Å; F477-M481 HydrophobicContact CD2-CE 4.05Å; F477-M481 HydrophobicContact CE1-CE 4.3Å; F477-M481 HydrophobicContact CE1-CG 3.52Å; F477-M481 HydrophobicContact CE1-SD 4.06Å; F477-M481 HydrophobicContact CE2-CE 3.55Å; F477-M481 HydrophobicContact CE2-CG 4.45Å; F477-M481 HydrophobicContact CE2-SD 4.21Å; F477-M481 HydrophobicContact CZ-CE 3.68Å; F477-M481 HydrophobicContact CZ-CG 3.8Å; F477-M481 HydrophobicContact CZ-SD 3.69Å; F477-M481 WeakPolarHBondContact O-CG 3.48Å; F477-M481 PolarHBondContact O-N 2.8Å; F477-Y492 AromaticContact CE1-CD2 3.82Å; F477-Y492 HydrophobicContact CE1-CD2 3.82Å; F477-Y492 AromaticContact CE1-CE2 3.87Å; F477-Y492 HydrophobicContact CE1-CE2 3.87Å; F477-Y492 HydrophobicContact CZ-CD2 4.14Å
478D90.8Very high89.3Confident70 Ų7052.6 Ų52.637%0.37427%0.272SS..Hα-helixtrans-61.9-40.6178.2-53-57.3000111.6G475 L480 M481 D482G475-D478 WeakPolarHBondContact CA-OD2 3.17Å; D478-L480 VanDerWaalsContact C-N 3.34Å; D478-M481 PolarHBondContact O-N 2.87Å; D478-D482 WeakPolarHBondContact O-CB 3.5Å; D478-D482 PolarHBondContact O-N 3.21Å
479K92.6Very high89.3Confident128 Ų12856.1 Ų56.156%0.55729%0.291SS*.Hα-helixtrans-63.7-38.9173.8-63.2159.1-160.1144.50111.4N474 G475 W476 F477 T483N474-K479 PolarHBondContact O-NZ 3.36Å; N474-K479 VanDerWaalsContact O-NZ 3.16Å; G475-K479 WeakPolarHBondContact O-CD 3Å; G475-K479 WeakPolarHBondContact O-CE 3.14Å; G475-K479 VanDerWaalsContact O-CG 3.23Å; G475-K479 WeakPolarHBondContact O-CG 3.42Å; G475-K479 PolarHBondContact O-N 3.22Å; G475-K479 PolarHBondContact O-NZ 3.44Å; W476-K479 PolarHBondContact O-N 2.89Å; F477-K479 VanDerWaalsContact C-N 3.32Å; F477-K479 PolarHBondContact O-N 3.29Å; K479-T483 VanDerWaalsContact O-CB 3.29Å; K479-T483 WeakPolarHBondContact O-CB 3.17Å; K479-T483 PolarHBondContact O-N 2.81Å; K479-T483 PolarHBondContact O-OG1 3.36Å
480L93.3Very high89.5Confident4 Ų460.4 Ų60.42%0.02131%0.308CS..Hα-helixtrans-66.3-43.3176.3-178.761.2000111.3I437 P449 I454 T457 W476 F477 D478 T483 A484I437-L480 HydrophobicContact CD1-CD2 4.16Å; I437-L480 HydrophobicContact CG2-CD2 4.32Å; P449-L480 HydrophobicContact CB-CD1 4Å; P449-L480 HydrophobicContact CB-CD2 4.23Å; P449-L480 HydrophobicContact CG-CB 4.24Å; P449-L480 HydrophobicContact CG-CD1 4.41Å; P449-L480 HydrophobicContact CG-CD2 4.11Å; P449-L480 HydrophobicContact CG-CG 4.48Å; I454-L480 HydrophobicContact CB-CD1 4.27Å; I454-L480 HydrophobicContact CG1-CD1 3.69Å; T457-L480 HydrophobicContact CG2-CD2 4.47Å; T457-L480 HydrophobicContact CG2-CG 4.16Å; W476-L480 HydrophobicContact CE3-CD2 4.48Å; W476-L480 HydrophobicContact CZ3-CD2 3.75Å; W476-L480 PolarHBondContact O-N 2.86Å; W476-L480 VanDerWaalsContact O-N 3.09Å; F477-L480 WeakPolarHBondContact O-CB 3.45Å; F477-L480 PolarHBondContact O-N 3.41Å; F477-L480 VanDerWaalsContact O-N 3.09Å; D478-L480 VanDerWaalsContact C-N 3.34Å; L480-T483 PolarHBondContact O-N 3.27Å; L480-A484 VanDerWaalsContact O-CB 3.22Å; L480-A484 WeakPolarHBondContact O-CB 3.44Å; L480-A484 PolarHBondContact O-N 3.05Å
481M93.7Very high89.7Confident1 Ų161.5 Ų61.51%0.00531%0.314CS..Hα-helixtrans-65.2-41.9177.6-66-52.7103.600112.2T457 V463 F477 D478 A484 K485 K486 Y492T457-M481 HydrophobicContact CG2-CE 3.48Å; T457-M481 VanDerWaalsContact CG2-CE 3.48Å; T457-M481 HydrophobicContact CG2-SD 4.32Å; V463-M481 HydrophobicContact CG1-CE 4.16Å; V463-M481 HydrophobicContact CG1-SD 4.26Å; F477-M481 HydrophobicContact CD1-CG 3.95Å; F477-M481 HydrophobicContact CD2-CE 4.05Å; F477-M481 HydrophobicContact CE1-CE 4.3Å; F477-M481 HydrophobicContact CE1-CG 3.52Å; F477-M481 HydrophobicContact CE1-SD 4.06Å; F477-M481 HydrophobicContact CE2-CE 3.55Å; F477-M481 HydrophobicContact CE2-CG 4.45Å; F477-M481 HydrophobicContact CE2-SD 4.21Å; F477-M481 HydrophobicContact CZ-CE 3.68Å; F477-M481 HydrophobicContact CZ-CG 3.8Å; F477-M481 HydrophobicContact CZ-SD 3.69Å; F477-M481 WeakPolarHBondContact O-CG 3.48Å; F477-M481 PolarHBondContact O-N 2.8Å; D478-M481 PolarHBondContact O-N 2.87Å; M481-A484 CarbonylContact O-C 3.55Å; M481-A484 PolarHBondContact O-N 2.86Å; M481-K485 PolarHBondContact O-N 2.99Å; M481-K486 PolarHBondContact O-N 3.13Å; M481-K486 HydrophobicContact SD-CB 4.09Å; M481-K486 HydrophobicContact SD-CG 4.45Å; M481-Y492 HydrophobicContact CB-CD1 4.1Å; M481-Y492 HydrophobicContact CB-CE1 3.62Å; M481-Y492 HydrophobicContact CG-CD1 3.74Å; M481-Y492 HydrophobicContact CG-CD2 4.16Å; M481-Y492 HydrophobicContact CG-CE1 3.6Å; M481-Y492 HydrophobicContact CG-CE2 4.06Å; M481-Y492 HydrophobicContact CG-CG 4.01Å; M481-Y492 HydrophobicContact SD-CD1 3.67Å; M481-Y492 HydrophobicContact SD-CD2 4.29Å; M481-Y492 HydrophobicContact SD-CE1 4.17Å; M481-Y492 HydrophobicContact SD-CG 3.72Å
482D92.2Very high90Very high129 Ų12962.9 Ų62.969%0.6932%0.319SS*.Hα-helixtrans-63.9-46.1175.1-174.151.9000111.5D478 A484 K485D478-D482 WeakPolarHBondContact O-CB 3.5Å; D478-D482 PolarHBondContact O-N 3.21Å; D482-A484 VanDerWaalsContact C-N 3.34Å; D482-A484 PolarHBondContact O-N 3.5Å; D482-K485 WeakPolarHBondContact O-CA 3.39Å; D482-K485 PolarHBondContact O-N 3.26Å
483T93Very high90.4Very high78 Ų7861.9 Ų61.948%0.47931%0.311SS..Hα-helixtrans-59.7-43.3176.1-57.10000111.7I454 K479 L480 K485I454-T483 HydrophobicContact CG2-CG2 3.73Å; K479-T483 VanDerWaalsContact O-CB 3.29Å; K479-T483 WeakPolarHBondContact O-CB 3.17Å; K479-T483 PolarHBondContact O-N 2.81Å; K479-T483 PolarHBondContact O-OG1 3.36Å; L480-T483 PolarHBondContact O-N 3.27Å; T483-K485 PolarHBondContact O-N 2.76Å
484A90.3Very high91.2Very high9 Ų960.8 Ų60.87%0.07430%0.299CS..THydrogen-bonded Turntrans-78.6-1.9175.500000114T457 L480 M481 D482 K486T457-A484 HydrophobicContact CG2-CB 3.55Å; L480-A484 VanDerWaalsContact O-CB 3.22Å; L480-A484 WeakPolarHBondContact O-CB 3.44Å; L480-A484 PolarHBondContact O-N 3.05Å; M481-A484 CarbonylContact O-C 3.55Å; M481-A484 PolarHBondContact O-N 2.86Å; D482-A484 VanDerWaalsContact C-N 3.34Å; D482-A484 PolarHBondContact O-N 3.5Å; A484-K486 HydrophobicContact CB-CG 3.95Å; A484-K486 PolarHBondContact O-N 3.29Å
485K91.3Very high91.9Very high176 Ų17657.1 Ų57.177%0.76528%0.279SS*.THydrogen-bonded Turntrans57.429.6179.4-57.8171.1-174.3167.50114.4M481 D482 T483M481-K485 PolarHBondContact O-N 2.99Å; D482-K485 WeakPolarHBondContact O-CA 3.39Å; D482-K485 PolarHBondContact O-N 3.26Å; T483-K485 PolarHBondContact O-N 2.76Å
486K90.4Very high92.4Very high36 Ų3656.9 Ų56.916%0.15728%0.275CS..  trans-85.5149.2178.5-57.8-66.1174175.30110.6T457 S458 A460 M481 A484 D491 Y492T457-K486 WeakPolarHBondContact O-CE 3.49Å; T457-K486 PolarHBondContact O-NZ 3.21Å; S458-K486 WeakPolarHBondContact O-CE 3.23Å; S458-K486 PolarHBondContact O-NZ 2.8Å; A460-K486 PolarHBondContact O-NZ 3.26Å; M481-K486 PolarHBondContact O-N 3.13Å; M481-K486 HydrophobicContact SD-CB 4.09Å; M481-K486 HydrophobicContact SD-CG 4.45Å; A484-K486 HydrophobicContact CB-CG 3.95Å; A484-K486 PolarHBondContact O-N 3.29Å; K486-D491 HydrophobicContact CB-CB 3.95Å; K486-D491 HydrophobicContact CD-CB 3.75Å; K486-D491 HydrophobicContact CG-CB 4.43Å; K486-Y492 HydrophobicContact CB-CD1 3.78Å; K486-Y492 HydrophobicContact CB-CE1 4.39Å
487K92.5Very high92.6Very high139 Ų13961.9 Ų61.960%0.60430%0.297SS*.  trans-117138.9179.6-58.6-175.7179.3-174.40112K490 D491 Y492K487-K490 HydrophobicContact CB-CB 4.37Å; K487-K490 PolarHBondContact O-N 2.72Å; K487-D491 VanDerWaalsContact CB-OD2 3.32Å; K487-D491 WeakPolarHBondContact CB-OD2 3.39Å; K487-D491 PolarHBondContact N-OD2 2.82Å; K487-D491 PolarHBondContact O-N 3.4Å; K487-Y492 WeakPolarHBondContact O-CD1 3.07Å; K487-Y492 PolarHBondContact O-N 2.79Å; K487-Y492 VanDerWaalsContact O-N 3.11Å
488E93.2Very high92.8Very high109 Ų10967.5 Ų67.551%0.50932%0.323SS..BIsolated β-bridgetrans-61.1143.2178.1-155.3-153151.500110.7K490 Y492E488-K490 PolarHBondContact O-N 2.71Å; E488-Y492 CarbonylContact C-O 3.6Å; E488-Y492 HydrophobicContact CB-CD2 4.5Å; E488-Y492 HydrophobicContact CB-CE1 4.12Å; E488-Y492 HydrophobicContact CB-CE2 3.83Å; E488-Y492 HydrophobicContact CG-CD2 4.23Å; E488-Y492 HydrophobicContact CG-CE2 3.62Å
489N92.4Very high93.1Very high84 Ų8464.7 Ų64.745%0.44931%0.309SS..THydrogen-bonded Turntrans57.117.1-179-60.4-81.1000114.6Y492 F493N489-Y492 PolarHBondContact N-O 2.79Å; N489-F493 VanDerWaalsContact C-CZ 3.46Å; N489-F493 HydrophobicContact CB-CE1 4.47Å; N489-F493 WeakPolarHBondContact O-CE1 3.28Å
490K91.8Very high93.2Very high122 Ų12265 Ų6553%0.5331%0.313SS..THydrogen-bonded Turntrans-133.5-51.7171.5-174.3-161168.7-67.30112K487 E488 F493 Q536K487-K490 HydrophobicContact CB-CB 4.37Å; K487-K490 PolarHBondContact O-N 2.72Å; E488-K490 PolarHBondContact O-N 2.71Å; K490-F493 WeakPolarHBondContact O-CE2 3.35Å; K490-F493 WeakPolarHBondContact O-CZ 3.47Å; K490-Q536 PolarHBondContact O-NE2 2.9Å
491D91.5Very high93.3Very high25 Ų2566.9 Ų66.913%0.13433%0.325CS..THydrogen-bonded Turntrans-115.1-22.5-176.3-42.1-60.9000111.4V463 K486 K487V463-D491 PolarHBondContact N-O 2.9Å; K486-D491 HydrophobicContact CB-CB 3.95Å; K486-D491 HydrophobicContact CD-CB 3.75Å; K486-D491 HydrophobicContact CG-CB 4.43Å; K487-D491 VanDerWaalsContact CB-OD2 3.32Å; K487-D491 WeakPolarHBondContact CB-OD2 3.39Å; K487-D491 PolarHBondContact N-OD2 2.82Å; K487-D491 PolarHBondContact O-N 3.4Å
492Y93.3Very high93.3Very high29 Ų2968.6 Ų68.611%0.11433%0.333CS..EExtended strand (participates in β ladder)trans-135.8146.7169.972.5-92.5000113.5V463 Y465 F477 M481 K486 K487 E488 N489V463-Y492 CarbonylContact O-C 3.58Å; V463-Y492 WeakPolarHBondContact O-CA 3.42Å; Y465-Y492 HydrophobicContact CD1-CD2 4.07Å; Y465-Y492 AromaticContact CE1-CD2 3.65Å; Y465-Y492 HydrophobicContact CE1-CD2 3.65Å; Y465-Y492 HydrophobicContact CE1-CE2 4.07Å; F477-Y492 AromaticContact CE1-CD2 3.82Å; F477-Y492 HydrophobicContact CE1-CD2 3.82Å; F477-Y492 AromaticContact CE1-CE2 3.87Å; F477-Y492 HydrophobicContact CE1-CE2 3.87Å; F477-Y492 HydrophobicContact CZ-CD2 4.14Å; M481-Y492 HydrophobicContact CB-CD1 4.1Å; M481-Y492 HydrophobicContact CB-CE1 3.62Å; M481-Y492 HydrophobicContact CG-CD1 3.74Å; M481-Y492 HydrophobicContact CG-CD2 4.16Å; M481-Y492 HydrophobicContact CG-CE1 3.6Å; M481-Y492 HydrophobicContact CG-CE2 4.06Å; M481-Y492 HydrophobicContact CG-CG 4.01Å; M481-Y492 HydrophobicContact SD-CD1 3.67Å; M481-Y492 HydrophobicContact SD-CD2 4.29Å; M481-Y492 HydrophobicContact SD-CE1 4.17Å; M481-Y492 HydrophobicContact SD-CG 3.72Å; K486-Y492 HydrophobicContact CB-CD1 3.78Å; K486-Y492 HydrophobicContact CB-CE1 4.39Å; K487-Y492 WeakPolarHBondContact O-CD1 3.07Å; K487-Y492 PolarHBondContact O-N 2.79Å; K487-Y492 VanDerWaalsContact O-N 3.11Å; E488-Y492 CarbonylContact C-O 3.6Å; E488-Y492 HydrophobicContact CB-CD2 4.5Å; E488-Y492 HydrophobicContact CB-CE1 4.12Å; E488-Y492 HydrophobicContact CB-CE2 3.83Å; E488-Y492 HydrophobicContact CG-CD2 4.23Å; E488-Y492 HydrophobicContact CG-CE2 3.62Å; N489-Y492 PolarHBondContact N-O 2.79Å
493F93.9Very high93.4Very high21 Ų2166.6 Ų66.69%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-141.8136.5-169.1-60.6-97.2000112.8V462 V463 F464 Y465 N489 K490 V532 Q536V462-F493 HydrophobicContact CG2-CD2 3.71Å; V462-F493 HydrophobicContact CG2-CE2 3.88Å; V463-F493 PolarHBondContact O-N 2.9Å; F464-F493 WeakPolarHBondContact CA-O 3.02Å; F464-F493 HydrophobicContact CD1-CB 4.35Å; F464-F493 HydrophobicContact CE1-CB 4.47Å; Y465-F493 VanDerWaalsContact CD1-C 3.44Å; Y465-F493 VanDerWaalsContact CD1-O 3.26Å; Y465-F493 WeakPolarHBondContact CD1-O 3.49Å; Y465-F493 VanDerWaalsContact CE1-C 3.4Å; Y465-F493 PolarHBondContact N-O 3.39Å; Y465-F493 VanDerWaalsContact N-O 3.16Å; N489-F493 VanDerWaalsContact C-CZ 3.46Å; N489-F493 HydrophobicContact CB-CE1 4.47Å; N489-F493 WeakPolarHBondContact O-CE1 3.28Å; K490-F493 WeakPolarHBondContact O-CE2 3.35Å; K490-F493 WeakPolarHBondContact O-CZ 3.47Å; F493-V532 HydrophobicContact CB-CG1 4.39Å; F493-V532 HydrophobicContact CB-CG2 4.11Å; F493-V532 HydrophobicContact CD1-CG1 4.19Å; F493-V532 HydrophobicContact CD1-CG2 3.66Å; F493-V532 HydrophobicContact CD2-CG1 3.52Å; F493-V532 HydrophobicContact CD2-CG2 4.41Å; F493-V532 HydrophobicContact CE1-CG1 4.35Å; F493-V532 HydrophobicContact CE1-CG2 4.15Å; F493-V532 HydrophobicContact CE2-CG1 3.75Å; F493-V532 HydrophobicContact CG-CB 4.48Å; F493-V532 HydrophobicContact CG-CG1 3.78Å; F493-V532 HydrophobicContact CG-CG2 3.81Å; F493-V532 HydrophobicContact CZ-CG1 4.15Å; F493-Q536 VanDerWaalsContact CE2-NE2 3.3Å; F493-Q536 VanDerWaalsContact CZ-NE2 3.33Å
494A94.4Very high93.2Very high15 Ų1563 Ų6312%0.12430%0.298CS..EExtended strand (participates in β ladder)trans-75.6133.9169.700000110.3Y465 Q528Y465-A494 HydrophobicContact CD1-CB 4.39Å; Y465-A494 HydrophobicContact CE1-CB 3.79Å; Y465-A494 HydrophobicContact CE2-CB 4.36Å; Y465-A494 CarbonylContact O-C 3.14Å; Y465-A494 WeakPolarHBondContact O-CA 3.38Å; A494-Q528 VanDerWaalsContact O-CG 3.32Å; A494-Q528 WeakPolarHBondContact O-CG 3.16Å; A494-Q528 PolarHBondContact O-NE2 2.96Å
495V94.4Very high93Very high0 Ų067.8 Ų67.80%033%0.326CS..SBendtrans-82.3-23.4171.9-63.80000113V420 F464 Y465 K497 Y525 I529V420-V495 HydrophobicContact CG1-CB 4.35Å; V420-V495 HydrophobicContact CG1-CG1 3.65Å; V420-V495 HydrophobicContact CG1-CG2 3.86Å; V420-V495 HydrophobicContact CG2-CG2 3.85Å; F464-V495 HydrophobicContact CB-CG1 4.29Å; F464-V495 HydrophobicContact CD1-CG1 3.63Å; F464-V495 HydrophobicContact CE1-CG1 4.4Å; F464-V495 HydrophobicContact CG-CG1 4.39Å; Y465-V495 WeakPolarHBondContact O-CG2 3.38Å; Y465-V495 PolarHBondContact O-N 3.39Å; V495-K497 PolarHBondContact O-N 2.82Å; V495-Y525 HydrophobicContact CB-CD1 4.03Å; V495-Y525 HydrophobicContact CB-CD2 4.5Å; V495-Y525 HydrophobicContact CB-CG 3.96Å; V495-Y525 HydrophobicContact CG2-CD1 3.31Å; V495-Y525 HydrophobicContact CG2-CD2 4.34Å; V495-Y525 HydrophobicContact CG2-CE1 3.51Å; V495-Y525 HydrophobicContact CG2-CG 3.75Å; V495-Y525 WeakPolarHBondContact O-CD2 3.43Å; V495-I529 HydrophobicContact CG1-CD1 4.14Å; V495-I529 HydrophobicContact CG1-CG1 3.65Å
496S95.1Very high92.6Very high9 Ų963.8 Ų63.86%0.06332%0.32CS..SBendtrans-75.3-1.4174.3620000115.3N466 E498 V499 Y525N466-S496 WeakPolarHBondContact O-CB 3.25Å; N466-S496 PolarHBondContact O-N 2.88Å; N466-S496 VanDerWaalsContact O-N 3.11Å; N466-S496 PolarHBondContact O-OG 3.01Å; S496-E498 PolarHBondContact O-N 2.77Å; S496-V499 VanDerWaalsContact O-CB 3.3Å; S496-V499 WeakPolarHBondContact O-CB 3.49Å; S496-V499 PolarHBondContact O-N 3.27Å; S496-Y525 VanDerWaalsContact CA-CE2 3.48Å
497K94.1Very high92.3Very high116 Ų11664.9 Ų64.950%0.50433%0.328SS..THydrogen-bonded Turntrans-45.3-36.7-169.4-178-172.5166.5-167.10115.6V495 Q528V495-K497 PolarHBondContact O-N 2.82Å; K497-Q528 HydrophobicContact CB-CG 4.34Å
498E95.4Very high92Very high117 Ų11762.8 Ų62.855%0.54733%0.331SS..THydrogen-bonded Turntrans-101.611.1-175.9-53.4-66.1140.800113.4S496S496-E498 PolarHBondContact O-N 2.77Å
499V96.6Very high91.7Very high12 Ų1266.4 Ų66.47%0.07335%0.345CS..SBendtrans-88.2142178.3172.10000111.4L468 S496 P501 A515 N521 L524 Y525 Y585L468-V499 HydrophobicContact CD1-CG1 4.4Å; S496-V499 VanDerWaalsContact O-CB 3.3Å; S496-V499 WeakPolarHBondContact O-CB 3.49Å; S496-V499 PolarHBondContact O-N 3.27Å; V499-P501 VanDerWaalsContact O-CD 3.27Å; V499-P501 WeakPolarHBondContact O-CD 3.3Å; V499-A515 HydrophobicContact CG1-CB 3.9Å; V499-N521 HydrophobicContact CG2-CB 3.9Å; V499-L524 HydrophobicContact CG2-CB 4.32Å; V499-L524 HydrophobicContact CG2-CD1 4.06Å; V499-Y525 HydrophobicContact CG2-CD2 4.27Å; V499-Y525 HydrophobicContact CG2-CE2 3.92Å; V499-Y585 HydrophobicContact CG1-CE1 4.33Å
500E95.3Very high91.5Very high135 Ų13565.3 Ų65.363%0.63134%0.337SS*.  trans-74.8114.1168-179.1-172.2-12500110.5I502 K588E500-I502 PolarHBondContact O-N 3.26Å; E500-K588 IonicContact OE2-NZ 2.8Å; E500-K588 PolarHBondContact OE2-NZ 3.13Å
501P94.8Very high91.5Very high42 Ų4262.8 Ų62.827%0.27333%0.327SS..  trans-73.5122.8-174.7-18.433000113.3L468 V499 H503 E511L468-P501 HydrophobicContact CD2-CB 3.77Å; L468-P501 HydrophobicContact CD2-CG 3.82Å; V499-P501 VanDerWaalsContact O-CD 3.27Å; V499-P501 WeakPolarHBondContact O-CD 3.3Å; P501-H503 PolarHBondContact O-ND1 2.87Å; P501-H503 VanDerWaalsContact O-ND1 3.11Å; P501-E511 HydrophobicContact CB-CB 4.28Å; P501-E511 HydrophobicContact CB-CG 3.84Å; P501-E511 HydrophobicContact CG-CG 4.46Å; P501-E511 VanDerWaalsContact CG-OE1 3.27Å; P501-E511 WeakPolarHBondContact CG-OE1 3.42Å
502I94.6Very high91.5Very high37 Ų3761.6 Ų61.619%0.1932%0.321CS..  trans-71.6141.6155.8-61.8177.6000106.9E500 D512 K584 Y585 K588E500-I502 PolarHBondContact O-N 3.26Å; I502-D512 HydrophobicContact CB-CB 4.26Å; I502-D512 HydrophobicContact CG2-CB 4.29Å; I502-D512 WeakPolarHBondContact O-CB 3.3Å; I502-D512 PolarHBondContact O-N 2.84Å; I502-K584 HydrophobicContact CD1-CB 4.37Å; I502-K584 HydrophobicContact CG2-CD 4.39Å; I502-Y585 HydrophobicContact CB-CE1 3.94Å; I502-Y585 HydrophobicContact CB-CE2 4.1Å; I502-Y585 HydrophobicContact CD1-CD1 3.55Å; I502-Y585 HydrophobicContact CD1-CD2 4.16Å; I502-Y585 HydrophobicContact CD1-CE1 3.81Å; I502-Y585 HydrophobicContact CD1-CE2 4.39Å; I502-Y585 HydrophobicContact CD1-CG 3.76Å; I502-Y585 HydrophobicContact CG1-CD1 3.9Å; I502-Y585 HydrophobicContact CG1-CE1 3.6Å; I502-Y585 HydrophobicContact CG1-CE2 4.47Å; I502-Y585 HydrophobicContact CG1-CG 4.46Å; I502-Y585 PolarHBondContact N-OH 3.33Å; I502-K588 HydrophobicContact CD1-CD 4.01Å
503H92.8Very high91.4Very high87 Ų8760.2 Ų60.240%0.40332%0.315SS..BIsolated β-bridgetrans-107.9154.6179.2-69.956.6000110.8P501 S508 Q510P501-H503 PolarHBondContact O-ND1 2.87Å; P501-H503 VanDerWaalsContact O-ND1 3.11Å; H503-S508 PolarHBondContact CD2-O 2.99Å; H503-Q510 WeakPolarHBondContact CA-O 3.45Å
504L89Confident91.4Very high3 Ų359.2 Ų59.22%0.01631%0.311CS..  trans-67.5139.7176.7-56.3-175.3000111.3N507 S508 Q510 D512 E599 I600L504-N507 CarbonylContact O-C 3.49Å; L504-N507 PolarHBondContact O-N 3.16Å; L504-S508 WeakPolarHBondContact O-CA 3.14Å; L504-S508 PolarHBondContact O-N 3.39Å; L504-Q510 HydrophobicContact CD1-CB 3.77Å; L504-Q510 HydrophobicContact CG-CB 4.13Å; L504-Q510 PolarHBondContact N-O 3.15Å; L504-D512 HydrophobicContact CD2-CB 3.96Å; L504-E599 HydrophobicContact CD2-CG 4.22Å; L504-I600 HydrophobicContact CD1-CB 4.4Å; L504-I600 HydrophobicContact CD1-CD1 4.08Å; L504-I600 HydrophobicContact CD1-CG2 3.91Å
505T86.7Confident91.5Very high110 Ų11058.5 Ų58.568%0.67531%0.305SS*.SBendtrans-75.5-30.5178.361.20000112.3E599T505-E599 WeakPolarHBondContact CB-OE1 3.45Å; T505-E599 VanDerWaalsContact N-CD 3.33Å; T505-E599 PolarHBondContact N-OE1 2.97Å; T505-E599 PolarHBondContact N-OE2 3.29Å; T505-E599 VanDerWaalsContact N-OE2 3.13Å; T505-E599 PolarHBondContact OG1-OE1 3.27Å; T505-E599 PolarHBondContact OG1-OE2 3.45Å
506S83.5Confident91.5Very high91 Ų9158.5 Ų58.564%0.63631%0.305SS*.SBendtrans-72-31.7170.854.60000113.3E599S506-E599 VanDerWaalsContact CB-OE2 3.24Å; S506-E599 WeakPolarHBondContact CB-OE2 3.36Å; S506-E599 PolarHBondContact N-OE2 2.88Å; S506-E599 PolarHBondContact OG-OE2 2.9Å
507N83.8Confident91.5Very high60 Ų6058 Ų5832%0.32130%0.302SS..  trans-146.894.2177.7-177.38.5000111.5L504 K509 Q510L504-N507 CarbonylContact O-C 3.49Å; L504-N507 PolarHBondContact O-N 3.16Å; N507-K509 PolarHBondContact O-N 3.18Å; N507-K509 PolarHBondContact OD1-N 2.97Å; N507-Q510 PolarHBondContact ND2-OE1 3.3Å; N507-Q510 PolarHBondContact O-N 2.96Å
508S86Confident91.6Very high95 Ų9553.4 Ų53.466%0.66428%0.282SS*.THydrogen-bonded Turntrans-70.117.2-177.879.20000115.2H503 L504H503-S508 PolarHBondContact CD2-O 2.99Å; L504-S508 WeakPolarHBondContact O-CA 3.14Å; L504-S508 PolarHBondContact O-N 3.39Å
509K86Confident91.8Very high184 Ų18447.8 Ų47.880%0.826%0.256SS*.THydrogen-bonded Turntrans-110-11.2168-62-176.8-179.9-179.60113N507N507-K509 PolarHBondContact O-N 3.18Å; N507-K509 PolarHBondContact OD1-N 2.97Å
510Q87.6Confident91.8Very high61 Ų6150.3 Ų50.329%0.28527%0.272SS..SBendtrans-99.4134.3173.1-79.8175.1-56.600108.9N469 H503 L504 N507N469-Q510 PolarHBondContact OD1-NE2 3.23Å; H503-Q510 WeakPolarHBondContact CA-O 3.45Å; L504-Q510 HydrophobicContact CD1-CB 3.77Å; L504-Q510 HydrophobicContact CG-CB 4.13Å; L504-Q510 PolarHBondContact N-O 3.15Å; N507-Q510 PolarHBondContact ND2-OE1 3.3Å; N507-Q510 PolarHBondContact O-N 2.96Å
511E92.4Very high91.9Very high69 Ų6944.6 Ų44.632%0.32225%0.245SC..BIsolated β-bridgetrans-76.5148.6173.8-62.7173.5143.800109L468 P501 P513L468-E511 WeakPolarHBondContact CA-OE2 3.45Å; L468-E511 HydrophobicContact CB-CB 4.21Å; L468-E511 HydrophobicContact CD2-CB 4.03Å; L468-E511 HydrophobicContact CD2-CG 4.37Å; P501-E511 HydrophobicContact CB-CB 4.28Å; P501-E511 HydrophobicContact CB-CG 3.84Å; P501-E511 HydrophobicContact CG-CG 4.46Å; P501-E511 VanDerWaalsContact CG-OE1 3.27Å; P501-E511 WeakPolarHBondContact CG-OE1 3.42Å; E511-P513 WeakPolarHBondContact O-CD 3.32Å
512D92Very high92Very high0 Ų042.6 Ų42.60%023%0.232CC..PPolyproline II helixtrans-81.7121.2170.7-168.6-53.2000108.5I502 L504 H514 K584 Y585I502-D512 HydrophobicContact CB-CB 4.26Å; I502-D512 HydrophobicContact CG2-CB 4.29Å; I502-D512 WeakPolarHBondContact O-CB 3.3Å; I502-D512 PolarHBondContact O-N 2.84Å; L504-D512 HydrophobicContact CD2-CB 3.96Å; D512-H514 VanDerWaalsContact C-N 3.29Å; D512-H514 PolarHBondContact O-N 2.94Å; D512-H514 WeakPolarHBondContact OD1-CB 3.34Å; D512-H514 IonicContact OD1-CE1 2.7Å; D512-H514 IonicContact OD1-CG 3.62Å; D512-H514 PolarHBondContact OD1-N 2.87Å; D512-H514 VanDerWaalsContact OD1-N 3.12Å; D512-H514 IonicContact OD1-ND1 3.01Å; D512-H514 PolarHBondContact OD1-ND1 3.34Å; D512-K584 VanDerWaalsContact OD2-CD 3.29Å; D512-K584 WeakPolarHBondContact OD2-CD 3.46Å; D512-K584 WeakPolarHBondContact OD2-CE 3.36Å; D512-K584 IonicContact OD2-NZ 2.72Å; D512-K584 PolarHBondContact OD2-NZ 2.98Å; D512-Y585 HydrophobicContact CB-CE2 3.79Å; D512-Y585 WeakPolarHBondContact O-CE2 3.43Å; D512-Y585 PolarHBondContact O-OH 3.19Å
513P91.7Very high92.1Very high0 Ų041.5 Ų41.50%023%0.227CC..SBendtrans-71.6-22-172.217.1-22.4000114.7N466 L468 L470 E511 A515 W516 I600N466-P513 PolarHBondContact ND2-O 2.94Å; N466-P513 VanDerWaalsContact ND2-O 3.08Å; L468-P513 WeakPolarHBondContact O-CA 3.43Å; L468-P513 VanDerWaalsContact O-CB 3.25Å; L468-P513 WeakPolarHBondContact O-CB 3.45Å; L470-P513 HydrophobicContact CB-CB 3.61Å; L470-P513 HydrophobicContact CB-CG 4.5Å; L470-P513 HydrophobicContact CD1-CB 3.87Å; L470-P513 HydrophobicContact CD1-CG 4.18Å; L470-P513 HydrophobicContact CG-CB 4.33Å; E511-P513 WeakPolarHBondContact O-CD 3.32Å; P513-A515 PolarHBondContact O-N 3.49Å; P513-W516 VanDerWaalsContact C-CZ3 3.5Å; P513-W516 HydrophobicContact CB-CZ3 4.25Å; P513-W516 VanDerWaalsContact O-CE3 3.27Å; P513-W516 WeakPolarHBondContact O-CZ3 3.36Å; P513-I600 HydrophobicContact CG-CD1 4Å
514H93.8Very high92.4Very high0 Ų039.4 Ų39.40%022%0.218CC..  trans-7826.7-159.2-51.892.4000115.2D512 W516 L517 E580 A582 Y585D512-H514 VanDerWaalsContact C-N 3.29Å; D512-H514 PolarHBondContact O-N 2.94Å; D512-H514 WeakPolarHBondContact OD1-CB 3.34Å; D512-H514 IonicContact OD1-CE1 2.7Å; D512-H514 IonicContact OD1-CG 3.62Å; D512-H514 PolarHBondContact OD1-N 2.87Å; D512-H514 VanDerWaalsContact OD1-N 3.12Å; D512-H514 IonicContact OD1-ND1 3.01Å; D512-H514 PolarHBondContact OD1-ND1 3.34Å; H514-W516 HydrophobicContact CB-CH2 4.03Å; H514-W516 HydrophobicContact CB-CZ2 4.03Å; H514-W516 HydrophobicContact CB-CZ3 4.5Å; H514-W516 AromaticContact CD2-CH2 3.39Å; H514-W516 WeakPolarHBondContact CD2-CH2 3.32Å; H514-W516 AromaticContact CD2-CZ2 3.44Å; H514-W516 VanDerWaalsContact CD2-CZ2 3.44Å; H514-W516 WeakPolarHBondContact CD2-CZ2 3.49Å; H514-W516 AromaticContact CG-CH2 3.85Å; H514-W516 PolarHBondContact O-N 3.19Å; H514-W516 VanDerWaalsContact O-N 3.14Å; H514-L517 HydrophobicContact CB-CD1 4.26Å; H514-L517 PolarHBondContact O-N 2.68Å; H514-L517 VanDerWaalsContact O-N 3.07Å; H514-E580 IonicContact CE1-OE1 2.73Å; H514-E580 IonicContact NE2-OE1 3.59Å; H514-A582 HydrophobicContact CB-CB 4.24Å; H514-A582 WeakPolarHBondContact CB-O 3.43Å; H514-A582 WeakPolarHBondContact CD2-CB 3.41Å; H514-A582 VanDerWaalsContact CG-CA 3.45Å; H514-Y585 HydrophobicContact CB-CD2 4.33Å; H514-Y585 WeakPolarHBondContact O-CD2 3.32Å
515A95.5Very high92.8Very high0 Ų039.2 Ų39.20%022%0.218CC..G310 helixtrans-54.8-34-176.700000113.7L468 V499 P513 L517 D518 N521 Y525 Y585L468-A515 HydrophobicContact CD1-CB 3.39Å; V499-A515 HydrophobicContact CG1-CB 3.9Å; P513-A515 PolarHBondContact O-N 3.49Å; A515-L517 PolarHBondContact O-N 3.43Å; A515-L517 VanDerWaalsContact O-N 3.1Å; A515-D518 PolarHBondContact O-N 3.33Å; A515-N521 HydrophobicContact CB-CB 4.36Å; A515-N521 WeakPolarHBondContact O-CB 3.14Å; A515-N521 PolarHBondContact O-ND2 3.21Å; A515-N521 VanDerWaalsContact O-ND2 3.12Å; A515-Y525 HydrophobicContact CB-CE2 4.37Å; A515-Y585 HydrophobicContact CB-CD1 4.21Å; A515-Y585 HydrophobicContact CB-CD2 4.39Å; A515-Y585 HydrophobicContact CB-CE1 3.92Å; A515-Y585 HydrophobicContact CB-CE2 4.11Å; A515-Y585 HydrophobicContact CB-CG 4.42Å
516W94.1Very high93.3Very high0 Ų034 Ų340%019%0.185CC..G310 helixtrans-60-18.8179.367.584.3000113.9R419 N466 L470 P513 H514 D518 Y525 T654 D655 Y667R419-W516 VanDerWaalsContact CD-CD2 3.4Å; R419-W516 VanDerWaalsContact CZ-CE2 3.48Å; N466-W516 VanDerWaalsContact OD1-CE3 3.22Å; L470-W516 HydrophobicContact CD1-CH2 4.15Å; L470-W516 HydrophobicContact CD1-CZ3 4.33Å; L470-W516 HydrophobicContact CD2-CZ3 4.13Å; P513-W516 VanDerWaalsContact C-CZ3 3.5Å; P513-W516 HydrophobicContact CB-CZ3 4.25Å; P513-W516 VanDerWaalsContact O-CE3 3.27Å; P513-W516 WeakPolarHBondContact O-CZ3 3.36Å; H514-W516 HydrophobicContact CB-CH2 4.03Å; H514-W516 HydrophobicContact CB-CZ2 4.03Å; H514-W516 HydrophobicContact CB-CZ3 4.5Å; H514-W516 AromaticContact CD2-CH2 3.39Å; H514-W516 WeakPolarHBondContact CD2-CH2 3.32Å; H514-W516 AromaticContact CD2-CZ2 3.44Å; H514-W516 VanDerWaalsContact CD2-CZ2 3.44Å; H514-W516 WeakPolarHBondContact CD2-CZ2 3.49Å; H514-W516 AromaticContact CG-CH2 3.85Å; H514-W516 PolarHBondContact O-N 3.19Å; H514-W516 VanDerWaalsContact O-N 3.14Å; W516-D518 PolarHBondContact O-N 3.49Å; W516-Y525 HydrophobicContact CB-CE1 3.94Å; W516-T654 PolarHBondContact NE1-O 3.04Å; W516-D655 WeakPolarHBondContact CH2-OD1 3.36Å; W516-D655 VanDerWaalsContact CZ2-OD1 3.25Å; W516-D655 WeakPolarHBondContact CZ2-OD1 3.35Å; W516-Y667 HydrophobicContact CB-CE2 4.18Å; W516-Y667 VanDerWaalsContact O-CE2 3.23Å; W516-Y667 WeakPolarHBondContact O-CE2 3.29Å; W516-Y667 PolarHBondContact O-OH 3.04Å
517L95.9Very high93.9Very high0 Ų034.6 Ų34.60%018%0.177CC..G310 helixtrans-76.6-2.2176.3-59.8177000113.3H514 A515 A582 F583 F586 T654 M670 M671H514-L517 HydrophobicContact CB-CD1 4.26Å; H514-L517 PolarHBondContact O-N 2.68Å; H514-L517 VanDerWaalsContact O-N 3.07Å; A515-L517 PolarHBondContact O-N 3.43Å; A515-L517 VanDerWaalsContact O-N 3.1Å; L517-A582 HydrophobicContact CD1-CB 4.08Å; L517-F583 HydrophobicContact CD1-CD1 4.06Å; L517-F583 HydrophobicContact CD1-CE1 4.08Å; L517-F583 HydrophobicContact CD1-CG 4.28Å; L517-F583 HydrophobicContact CD1-CZ 4.31Å; L517-F586 HydrophobicContact CB-CB 3.99Å; L517-F586 WeakPolarHBondContact O-CA 3.26Å; L517-F586 WeakPolarHBondContact O-CB 3.29Å; L517-F586 WeakPolarHBondContact O-CD2 3.46Å; L517-T654 HydrophobicContact CD1-CG2 4.27Å; L517-M670 HydrophobicContact CD2-CE 4.13Å; L517-M671 HydrophobicContact CD2-SD 3.98Å; L517-M671 WeakPolarHBondContact O-CE 3.49Å
518D97.1Very high94.6Very high18 Ų1832.6 Ų32.610%0.09617%0.165CC..SBendtrans-100.1122.9157.8177.32000109A515 W516 T520 N521 G522 A589A515-D518 PolarHBondContact O-N 3.33Å; W516-D518 PolarHBondContact O-N 3.49Å; D518-T520 PolarHBondContact O-N 3.28Å; D518-T520 WeakPolarHBondContact OD1-CA 3.42Å; D518-T520 WeakPolarHBondContact OD1-CB 3.27Å; D518-T520 PolarHBondContact OD1-N 3.23Å; D518-T520 PolarHBondContact OD1-OG1 3.3Å; D518-T520 WeakPolarHBondContact OD2-CB 3.38Å; D518-T520 PolarHBondContact OD2-OG1 3.4Å; D518-N521 HydrophobicContact CB-CB 4.28Å; D518-N521 WeakPolarHBondContact O-CB 3.22Å; D518-N521 PolarHBondContact O-N 3.44Å; D518-G522 PolarHBondContact O-N 2.95Å; D518-A589 HydrophobicContact CB-CB 3.93Å; D518-A589 VanDerWaalsContact CG-CB 3.47Å; D518-A589 WeakPolarHBondContact OD1-CB 3.33Å
519I97.6Very high95Very high0 Ų028.1 Ų28.10%013%0.134CC..Hα-helixtrans-63.9-25.7178.3-62.4178.3000111.4N521 G522 I523 L555 L558 D559 Y590 M671 L675I519-N521 VanDerWaalsContact C-N 3.32Å; I519-N521 PolarHBondContact O-N 2.99Å; I519-G522 PolarHBondContact O-N 3.44Å; I519-I523 HydrophobicContact CG2-CD1 4.13Å; I519-I523 HydrophobicContact CG2-CG1 4.45Å; I519-I523 VanDerWaalsContact O-CG1 3.31Å; I519-I523 WeakPolarHBondContact O-CG1 3.37Å; I519-I523 PolarHBondContact O-N 3.48Å; I519-L555 HydrophobicContact CG2-CB 3.71Å; I519-L555 HydrophobicContact CG2-CD2 4.1Å; I519-L555 HydrophobicContact CG2-CG 4.36Å; I519-L555 WeakPolarHBondContact CG2-O 3.44Å; I519-L558 HydrophobicContact CD1-CB 4.34Å; I519-L558 HydrophobicContact CD1-CD2 3.78Å; I519-L558 HydrophobicContact CD1-CG 3.79Å; I519-D559 HydrophobicContact CB-CB 4.02Å; I519-D559 HydrophobicContact CD1-CB 4.27Å; I519-D559 HydrophobicContact CG2-CB 3.89Å; I519-Y590 WeakPolarHBondContact CG1-OH 3.46Å; I519-M671 HydrophobicContact CD1-CB 4.22Å; I519-M671 HydrophobicContact CD1-CE 4.36Å; I519-M671 HydrophobicContact CG1-CB 4.39Å; I519-M671 HydrophobicContact CG1-CE 3.77Å; I519-M671 HydrophobicContact CG1-CG 4.28Å; I519-L675 HydrophobicContact CD1-CD1 3.79Å
520T97.6Very high95.5Very high64 Ų6421.3 Ų21.339%0.39311%0.105SC..Hα-helixtrans-60.1-43.8172.4-37.10000110.9D518 I523 L524D518-T520 PolarHBondContact O-N 3.28Å; D518-T520 WeakPolarHBondContact OD1-CA 3.42Å; D518-T520 WeakPolarHBondContact OD1-CB 3.27Å; D518-T520 PolarHBondContact OD1-N 3.23Å; D518-T520 PolarHBondContact OD1-OG1 3.3Å; D518-T520 WeakPolarHBondContact OD2-CB 3.38Å; D518-T520 PolarHBondContact OD2-OG1 3.4Å; T520-I523 PolarHBondContact O-N 2.81Å; T520-L524 PolarHBondContact O-N 3.5Å
521N97.7Very high96Very high15 Ų1520.1 Ų20.18%0.0811%0.105CC..Hα-helixtrans-72.2-38.2173.8-69.9-21.4000111.8V499 A515 D518 I519 I523 L524 Y525 Y585V499-N521 HydrophobicContact CG2-CB 3.9Å; A515-N521 HydrophobicContact CB-CB 4.36Å; A515-N521 WeakPolarHBondContact O-CB 3.14Å; A515-N521 PolarHBondContact O-ND2 3.21Å; A515-N521 VanDerWaalsContact O-ND2 3.12Å; D518-N521 HydrophobicContact CB-CB 4.28Å; D518-N521 WeakPolarHBondContact O-CB 3.22Å; D518-N521 PolarHBondContact O-N 3.44Å; I519-N521 VanDerWaalsContact C-N 3.32Å; I519-N521 PolarHBondContact O-N 2.99Å; N521-I523 PolarHBondContact O-N 3.38Å; N521-L524 CarbonylContact O-C 3.54Å; N521-L524 WeakPolarHBondContact O-CA 3.44Å; N521-L524 WeakPolarHBondContact O-CB 3.36Å; N521-L524 PolarHBondContact O-N 3.12Å; N521-Y525 VanDerWaalsContact O-CD2 3.23Å; N521-Y525 WeakPolarHBondContact O-CD2 3.47Å; N521-Y525 PolarHBondContact O-N 3.17Å; N521-Y585 WeakPolarHBondContact ND2-CD1 3.04Å
522G96.2Very high96.1Very high0 Ų017.2 Ų17.20%09%0.092CC..Hα-helixtrans-56.6-35.6170.900000112.9D518 I519 Y525 V526D518-G522 PolarHBondContact O-N 2.95Å; I519-G522 PolarHBondContact O-N 3.44Å; G522-Y525 WeakPolarHBondContact O-CB 3.26Å; G522-Y525 PolarHBondContact O-N 3.4Å; G522-V526 WeakPolarHBondContact O-CG2 3.42Å; G522-V526 PolarHBondContact O-N 3.08Å
523I97.9Very high96.1Very high15 Ų1517.6 Ų17.68%0.07710%0.095CC..Hα-helixtrans-69.5-30.4172.3-71.4161000112I519 T520 N521 K527 I552 L555 K556I519-I523 HydrophobicContact CG2-CD1 4.13Å; I519-I523 HydrophobicContact CG2-CG1 4.45Å; I519-I523 VanDerWaalsContact O-CG1 3.31Å; I519-I523 WeakPolarHBondContact O-CG1 3.37Å; I519-I523 PolarHBondContact O-N 3.48Å; T520-I523 PolarHBondContact O-N 2.81Å; N521-I523 PolarHBondContact O-N 3.38Å; I523-K527 WeakPolarHBondContact O-CG 3.13Å; I523-K527 PolarHBondContact O-N 3.07Å; I523-I552 HydrophobicContact CG1-CG2 4.36Å; I523-I552 HydrophobicContact CG2-CD1 4.4Å; I523-I552 HydrophobicContact CG2-CG1 4.22Å; I523-I552 HydrophobicContact CG2-CG2 3.93Å; I523-L555 HydrophobicContact CD1-CB 4.05Å; I523-L555 HydrophobicContact CG1-CB 3.86Å; I523-L555 HydrophobicContact CG1-CD1 3.93Å; I523-K556 HydrophobicContact CD1-CG 3.62Å
524L98Very high96.3Very high42 Ų4217.7 Ų17.722%0.2210%0.095CC..Hα-helixtrans-71.5-42.5171.9-63174.5000111.3V499 T520 N521 V526 K527 Q528V499-L524 HydrophobicContact CG2-CB 4.32Å; V499-L524 HydrophobicContact CG2-CD1 4.06Å; T520-L524 PolarHBondContact O-N 3.5Å; N521-L524 CarbonylContact O-C 3.54Å; N521-L524 WeakPolarHBondContact O-CA 3.44Å; N521-L524 WeakPolarHBondContact O-CB 3.36Å; N521-L524 PolarHBondContact O-N 3.12Å; L524-V526 PolarHBondContact O-N 3.38Å; L524-K527 HydrophobicContact CD2-CD 4.36Å; L524-K527 PolarHBondContact O-N 2.91Å; L524-Q528 WeakPolarHBondContact O-CB 3.44Å; L524-Q528 PolarHBondContact O-N 3.48Å
525Y97.1Very high96.2Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-55.4-51.4173-75.7-151.7000110.2M423 N466 V495 S496 V499 A515 W516 N521 G522 K527 Q528 I529M423-Y525 HydrophobicContact CE-CD1 3.96Å; M423-Y525 HydrophobicContact CE-CG 4.44Å; M423-Y525 VanDerWaalsContact SD-CB 3.55Å; M423-Y525 HydrophobicContact SD-CD1 3.79Å; M423-Y525 HydrophobicContact SD-CG 4.16Å; N466-Y525 VanDerWaalsContact OD1-CE1 3.26Å; N466-Y525 WeakPolarHBondContact OD1-CE1 3.43Å; N466-Y525 PolarHBondContact OD1-OH 3.36Å; V495-Y525 HydrophobicContact CB-CD1 4.03Å; V495-Y525 HydrophobicContact CB-CD2 4.5Å; V495-Y525 HydrophobicContact CB-CG 3.96Å; V495-Y525 HydrophobicContact CG2-CD1 3.31Å; V495-Y525 HydrophobicContact CG2-CD2 4.34Å; V495-Y525 HydrophobicContact CG2-CE1 3.51Å; V495-Y525 HydrophobicContact CG2-CG 3.75Å; V495-Y525 WeakPolarHBondContact O-CD2 3.43Å; S496-Y525 VanDerWaalsContact CA-CE2 3.48Å; V499-Y525 HydrophobicContact CG2-CD2 4.27Å; V499-Y525 HydrophobicContact CG2-CE2 3.92Å; A515-Y525 HydrophobicContact CB-CE2 4.37Å; W516-Y525 HydrophobicContact CB-CE1 3.94Å; N521-Y525 VanDerWaalsContact O-CD2 3.23Å; N521-Y525 WeakPolarHBondContact O-CD2 3.47Å; N521-Y525 PolarHBondContact O-N 3.17Å; G522-Y525 WeakPolarHBondContact O-CB 3.26Å; G522-Y525 PolarHBondContact O-N 3.4Å; Y525-K527 VanDerWaalsContact C-N 3.28Å; Y525-K527 PolarHBondContact O-N 3.02Å; Y525-Q528 PolarHBondContact O-N 3.37Å; Y525-Q528 VanDerWaalsContact O-N 3.12Å; Y525-I529 WeakPolarHBondContact O-CB 3.27Å; Y525-I529 WeakPolarHBondContact O-CD1 3.48Å; Y525-I529 WeakPolarHBondContact O-CG1 3.37Å; Y525-I529 PolarHBondContact O-N 3.05Å
526V97.2Very high95.9Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-60.7-32.9-179.7171.90000112.8M423 V427 G522 L524 Q530 A548 Y551 I552 L555M423-V526 HydrophobicContact CB-CG2 4.09Å; M423-V526 HydrophobicContact CG-CG2 4.12Å; M423-V526 HydrophobicContact SD-CG2 4.12Å; V427-V526 HydrophobicContact CG2-CG1 3.75Å; G522-V526 WeakPolarHBondContact O-CG2 3.42Å; G522-V526 PolarHBondContact O-N 3.08Å; L524-V526 PolarHBondContact O-N 3.38Å; V526-Q530 WeakPolarHBondContact O-CB 3.36Å; V526-Q530 PolarHBondContact O-N 3.13Å; V526-A548 HydrophobicContact CG1-CB 4.03Å; V526-Y551 HydrophobicContact CG1-CD1 4.1Å; V526-Y551 HydrophobicContact CG2-CD1 3.61Å; V526-Y551 HydrophobicContact CG2-CE1 3.73Å; V526-I552 HydrophobicContact CB-CG1 4.26Å; V526-I552 HydrophobicContact CG1-CD1 3.93Å; V526-I552 HydrophobicContact CG1-CG1 3.67Å; V526-L555 HydrophobicContact CG2-CD1 4.17Å
527K97.8Very high95.7Very high104 Ų10429 Ų2945%0.45215%0.153SC..Hα-helixtrans-71-46.2171.8-71.5169.7-176.4176.30112.4I523 L524 Y525 I529 Q530 A531 I552I523-K527 WeakPolarHBondContact O-CG 3.13Å; I523-K527 PolarHBondContact O-N 3.07Å; L524-K527 HydrophobicContact CD2-CD 4.36Å; L524-K527 PolarHBondContact O-N 2.91Å; Y525-K527 VanDerWaalsContact C-N 3.28Å; Y525-K527 PolarHBondContact O-N 3.02Å; K527-I529 VanDerWaalsContact C-N 3.29Å; K527-I529 PolarHBondContact O-N 3.2Å; K527-Q530 PolarHBondContact O-N 3.21Å; K527-Q530 VanDerWaalsContact O-N 3.15Å; K527-A531 WeakPolarHBondContact O-CB 3.42Å; K527-A531 PolarHBondContact O-N 2.89Å; K527-I552 HydrophobicContact CG-CD1 3.99Å
528Q96.6Very high95.4Very high18 Ų1832.6 Ų32.68%0.08418%0.176CC..Hα-helixtrans-63.5-38.5-179.9173.857.21000110.9A494 K497 L524 Y525 V532A494-Q528 VanDerWaalsContact O-CG 3.32Å; A494-Q528 WeakPolarHBondContact O-CG 3.16Å; A494-Q528 PolarHBondContact O-NE2 2.96Å; K497-Q528 HydrophobicContact CB-CG 4.34Å; L524-Q528 WeakPolarHBondContact O-CB 3.44Å; L524-Q528 PolarHBondContact O-N 3.48Å; Y525-Q528 PolarHBondContact O-N 3.37Å; Y525-Q528 VanDerWaalsContact O-N 3.12Å; Q528-V532 VanDerWaalsContact O-CG2 3.31Å; Q528-V532 WeakPolarHBondContact O-CG2 3.3Å; Q528-V532 PolarHBondContact O-N 2.82Å
529I95.5Very high95.1Very high0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-55-56.8166.8-73.3164.6000111V420 M423 I424 V427 F464 V495 Y525 K527 A531 V532 L533V420-I529 HydrophobicContact CG1-CD1 4.29Å; M423-I529 HydrophobicContact CB-CD1 3.56Å; M423-I529 HydrophobicContact SD-CD1 4.21Å; I424-I529 HydrophobicContact CB-CG2 4.33Å; I424-I529 HydrophobicContact CD1-CD1 4.13Å; I424-I529 HydrophobicContact CD1-CG1 3.9Å; I424-I529 HydrophobicContact CD1-CG2 4.43Å; I424-I529 HydrophobicContact CG1-CB 4.22Å; I424-I529 HydrophobicContact CG1-CD1 3.47Å; I424-I529 VanDerWaalsContact CG1-CD1 3.47Å; I424-I529 HydrophobicContact CG1-CG1 3.59Å; I424-I529 HydrophobicContact CG1-CG2 3.62Å; I424-I529 HydrophobicContact CG2-CG2 4.43Å; V427-I529 HydrophobicContact CB-CG2 3.8Å; V427-I529 HydrophobicContact CG1-CG2 3.97Å; V427-I529 HydrophobicContact CG2-CG2 3.77Å; F464-I529 HydrophobicContact CE1-CG1 4.39Å; V495-I529 HydrophobicContact CG1-CD1 4.14Å; V495-I529 HydrophobicContact CG1-CG1 3.65Å; Y525-I529 WeakPolarHBondContact O-CB 3.27Å; Y525-I529 WeakPolarHBondContact O-CD1 3.48Å; Y525-I529 WeakPolarHBondContact O-CG1 3.37Å; Y525-I529 PolarHBondContact O-N 3.05Å; K527-I529 VanDerWaalsContact C-N 3.29Å; K527-I529 PolarHBondContact O-N 3.2Å; I529-A531 VanDerWaalsContact C-N 3.33Å; I529-A531 PolarHBondContact O-N 3.06Å; I529-V532 PolarHBondContact O-N 3.42Å; I529-L533 HydrophobicContact CG2-CD1 3.9Å; I529-L533 HydrophobicContact CG2-CG 4.47Å; I529-L533 WeakPolarHBondContact O-CB 3.46Å; I529-L533 WeakPolarHBondContact O-CG 3.41Å; I529-L533 PolarHBondContact O-N 2.73Å
530Q96.7Very high94.8Very high41 Ų4141 Ų4119%0.19222%0.221CC..Hα-helixtrans-60.8-42.1-176.5176.8-92.6-56.600111.8V427 V526 K527 S534 A548V427-Q530 HydrophobicContact CG1-CB 4.03Å; V526-Q530 WeakPolarHBondContact O-CB 3.36Å; V526-Q530 PolarHBondContact O-N 3.13Å; K527-Q530 PolarHBondContact O-N 3.21Å; K527-Q530 VanDerWaalsContact O-N 3.15Å; Q530-S534 PolarHBondContact NE2-OG 3.42Å; Q530-S534 WeakPolarHBondContact O-CB 3.42Å; Q530-S534 PolarHBondContact O-N 3.27Å; Q530-S534 PolarHBondContact O-OG 3.04Å; Q530-A548 HydrophobicContact CB-CB 3.72Å; Q530-A548 HydrophobicContact CG-CB 3.8Å
531A96.8Very high94.6Very high36 Ų3642 Ų4230%0.29822%0.218SC..Hα-helixtrans-61-5217700000111.6K527 I529 S534 D535K527-A531 WeakPolarHBondContact O-CB 3.42Å; K527-A531 PolarHBondContact O-N 2.89Å; I529-A531 VanDerWaalsContact C-N 3.33Å; I529-A531 PolarHBondContact O-N 3.06Å; A531-S534 PolarHBondContact O-N 2.83Å; A531-D535 PolarHBondContact O-N 2.93Å
532V94.6Very high94.4Very high8 Ų847.1 Ų47.15%0.04824%0.244CC..Hα-helixtrans-63.2-44.8-179.9172.90000111.5V462 F464 F493 Q528 I529 S534 D535 Q536V462-V532 HydrophobicContact CG2-CG1 3.97Å; F464-V532 HydrophobicContact CE1-CB 3.7Å; F464-V532 HydrophobicContact CE1-CG1 3.68Å; F464-V532 HydrophobicContact CE1-CG2 4.2Å; F464-V532 HydrophobicContact CE2-CG1 4.3Å; F464-V532 HydrophobicContact CZ-CB 3.68Å; F464-V532 HydrophobicContact CZ-CG1 3.4Å; F464-V532 VanDerWaalsContact CZ-CG1 3.4Å; F493-V532 HydrophobicContact CB-CG1 4.39Å; F493-V532 HydrophobicContact CB-CG2 4.11Å; F493-V532 HydrophobicContact CD1-CG1 4.19Å; F493-V532 HydrophobicContact CD1-CG2 3.66Å; F493-V532 HydrophobicContact CD2-CG1 3.52Å; F493-V532 HydrophobicContact CD2-CG2 4.41Å; F493-V532 HydrophobicContact CE1-CG1 4.35Å; F493-V532 HydrophobicContact CE1-CG2 4.15Å; F493-V532 HydrophobicContact CE2-CG1 3.75Å; F493-V532 HydrophobicContact CG-CB 4.48Å; F493-V532 HydrophobicContact CG-CG1 3.78Å; F493-V532 HydrophobicContact CG-CG2 3.81Å; F493-V532 HydrophobicContact CZ-CG1 4.15Å; Q528-V532 VanDerWaalsContact O-CG2 3.31Å; Q528-V532 WeakPolarHBondContact O-CG2 3.3Å; Q528-V532 PolarHBondContact O-N 2.82Å; I529-V532 PolarHBondContact O-N 3.42Å; V532-S534 VanDerWaalsContact C-N 3.32Å; V532-S534 PolarHBondContact O-N 3.25Å; V532-D535 PolarHBondContact O-N 3.19Å; V532-Q536 HydrophobicContact CG1-CG 4.14Å; V532-Q536 VanDerWaalsContact O-CG 3.28Å; V532-Q536 WeakPolarHBondContact O-CG 3.32Å; V532-Q536 PolarHBondContact O-N 3.22Å
533L93.3Very high94.2Very high9 Ų948.9 Ų48.95%0.04725%0.254CS..Hα-helixtrans-59.7-43.5174.9-72.1177.1000111.7I424 V427 V432 F464 I529 D535 Q536 D537 Y544I424-L533 HydrophobicContact CG2-CD1 4.15Å; V427-L533 HydrophobicContact CB-CD1 4.41Å; V427-L533 HydrophobicContact CG1-CD1 3.86Å; V432-L533 HydrophobicContact CG1-CD1 4.4Å; V432-L533 HydrophobicContact CG1-CD2 4.18Å; F464-L533 HydrophobicContact CE2-CD2 4.14Å; F464-L533 HydrophobicContact CZ-CD2 4.31Å; F464-L533 HydrophobicContact CZ-CG 4.25Å; I529-L533 HydrophobicContact CG2-CD1 3.9Å; I529-L533 HydrophobicContact CG2-CG 4.47Å; I529-L533 WeakPolarHBondContact O-CB 3.46Å; I529-L533 WeakPolarHBondContact O-CG 3.41Å; I529-L533 PolarHBondContact O-N 2.73Å; L533-D535 VanDerWaalsContact C-N 3.26Å; L533-D535 PolarHBondContact O-N 3.42Å; L533-Q536 PolarHBondContact O-N 3.32Å; L533-D537 CarbonylContact O-C 3.55Å; L533-D537 WeakPolarHBondContact O-CA 3.31Å; L533-D537 PolarHBondContact O-N 2.69Å; L533-Y544 HydrophobicContact CB-CD1 4.26Å; L533-Y544 HydrophobicContact CB-CD2 3.8Å; L533-Y544 HydrophobicContact CB-CE1 4.36Å; L533-Y544 HydrophobicContact CB-CE2 3.92Å; L533-Y544 HydrophobicContact CB-CG 4Å; L533-Y544 HydrophobicContact CD1-CD1 4Å; L533-Y544 HydrophobicContact CD1-CE1 4.11Å; L533-Y544 HydrophobicContact CD1-CG 4.46Å
534S94.3Very high93.9Very high1 Ų148.3 Ų48.31%0.00725%0.251CS..Hα-helixtrans-66.6-24.5179.9-59.40000113.8Q530 A531 V532 P538 R541Q530-S534 PolarHBondContact NE2-OG 3.42Å; Q530-S534 WeakPolarHBondContact O-CB 3.42Å; Q530-S534 PolarHBondContact O-N 3.27Å; Q530-S534 PolarHBondContact O-OG 3.04Å; A531-S534 PolarHBondContact O-N 2.83Å; V532-S534 VanDerWaalsContact C-N 3.32Å; V532-S534 PolarHBondContact O-N 3.25Å; S534-P538 WeakPolarHBondContact O-CA 3.32Å; S534-R541 VanDerWaalsContact O-CZ 3.28Å; S534-R541 PolarHBondContact O-NE 2.75Å; S534-R541 PolarHBondContact O-NH2 2.85Å
535D92.8Very high93.8Very high111 Ų11150.5 Ų50.559%0.59426%0.26SS*.Hα-helixtrans-93.7-27.6178.8-75.2-17000113A531 V532 L533 R541A531-D535 PolarHBondContact O-N 2.93Å; V532-D535 PolarHBondContact O-N 3.19Å; L533-D535 VanDerWaalsContact C-N 3.26Å; L533-D535 PolarHBondContact O-N 3.42Å; D535-R541 IonicContact OD1-CZ 3.07Å; D535-R541 IonicContact OD1-NH1 3.59Å; D535-R541 IonicContact OD1-NH2 3.94Å; D535-R541 PolarHBondContact OD1-NH2 2.84Å
536Q89.3Confident93.9Very high87 Ų8757.2 Ų57.241%0.40729%0.285SS..Hα-helixtrans-80.8-36.7172-63.6-68.4-1100112.2V462 K490 F493 V532 L533V462-Q536 HydrophobicContact CB-CG 4.38Å; V462-Q536 HydrophobicContact CG2-CG 4.33Å; K490-Q536 PolarHBondContact O-NE2 2.9Å; F493-Q536 VanDerWaalsContact CE2-NE2 3.3Å; F493-Q536 VanDerWaalsContact CZ-NE2 3.33Å; V532-Q536 HydrophobicContact CG1-CG 4.14Å; V532-Q536 VanDerWaalsContact O-CG 3.28Å; V532-Q536 WeakPolarHBondContact O-CG 3.32Å; V532-Q536 PolarHBondContact O-N 3.22Å; L533-Q536 PolarHBondContact O-N 3.32Å
537D89.8Confident93.8Very high41 Ų4157.7 Ų57.722%0.21929%0.288CS..  trans-125.288.4174.4171.513.4000109.4L533 D539 N540 Y544L533-D537 CarbonylContact O-C 3.55Å; L533-D537 WeakPolarHBondContact O-CA 3.31Å; L533-D537 PolarHBondContact O-N 2.69Å; D537-D539 VanDerWaalsContact C-N 3.3Å; D537-D539 PolarHBondContact O-N 2.82Å; D537-D539 PolarHBondContact OD1-N 2.9Å; D537-N540 PolarHBondContact OD1-N 2.67Å; D537-N540 WeakPolarHBondContact OD2-CB 3.5Å; D537-N540 PolarHBondContact OD2-ND2 3.07Å; D537-Y544 HydrophobicContact CB-CE2 4Å; D537-Y544 PolarHBondContact OD2-OH 3.46Å
538P89.8Confident93.8Very high74 Ų7452.9 Ų52.948%0.48127%0.267SS..SBendtrans-71.7-20.1179.7-20.534.9000114.5S534 R541S534-P538 WeakPolarHBondContact O-CA 3.32Å; P538-R541 VanDerWaalsContact O-CB 3.26Å; P538-R541 WeakPolarHBondContact O-CB 3.26Å
539D91.3Very high93.9Very high150 Ų15053.2 Ų53.280%0.80228%0.275SS*.THydrogen-bonded Turntrans-73.8-39.4-174.1-74.2-18000110.6D537D537-D539 VanDerWaalsContact C-N 3.3Å; D537-D539 PolarHBondContact O-N 2.82Å; D537-D539 PolarHBondContact OD1-N 2.9Å
540N91.1Very high93.9Very high45 Ų4554.7 Ų54.724%0.24129%0.288CS..THydrogen-bonded Turntrans-91.712.4176.9-59.2-46.3000114.3E431 D537 L542 D543 Y544E431-N540 HydrophobicContact CB-CB 4.2Å; E431-N540 HydrophobicContact CG-CB 4.12Å; D537-N540 PolarHBondContact OD1-N 2.67Å; D537-N540 WeakPolarHBondContact OD2-CB 3.5Å; D537-N540 PolarHBondContact OD2-ND2 3.07Å; N540-L542 VanDerWaalsContact C-N 3.27Å; N540-L542 PolarHBondContact O-N 3.03Å; N540-L542 VanDerWaalsContact O-N 3.14Å; N540-D543 WeakPolarHBondContact O-CB 3.47Å; N540-D543 PolarHBondContact O-N 3.26Å; N540-Y544 HydrophobicContact CB-CD2 4.47Å; N540-Y544 HydrophobicContact CB-CE2 3.79Å; N540-Y544 WeakPolarHBondContact O-CD2 3.33Å; N540-Y544 PolarHBondContact O-N 2.69Å; N540-Y544 VanDerWaalsContact O-N 3.15Å
541R92.9Very high94Very high86 Ų8652.8 Ų52.833%0.32528%0.279SS..Hα-helixtrans-48.1-42.6-178.8173.3173.1-61.8-131.6-0.3114.1S534 D535 P538 D543 Y544 E545S534-R541 VanDerWaalsContact O-CZ 3.28Å; S534-R541 PolarHBondContact O-NE 2.75Å; S534-R541 PolarHBondContact O-NH2 2.85Å; D535-R541 IonicContact OD1-CZ 3.07Å; D535-R541 IonicContact OD1-NH1 3.59Å; D535-R541 IonicContact OD1-NH2 3.94Å; D535-R541 PolarHBondContact OD1-NH2 2.84Å; P538-R541 VanDerWaalsContact O-CB 3.26Å; P538-R541 WeakPolarHBondContact O-CB 3.26Å; R541-D543 VanDerWaalsContact C-N 3.27Å; R541-D543 PolarHBondContact O-N 2.85Å; R541-Y544 PolarHBondContact O-N 2.83Å; R541-E545 WeakPolarHBondContact O-CG 3.46Å; R541-E545 PolarHBondContact O-N 3.42Å
542L93.5Very high94.1Very high122 Ų12252.3 Ų52.364%0.63927%0.271SS*.Hα-helixtrans-68.3-28.7-178.2-64.8177.5000112.6N540 R546N540-L542 VanDerWaalsContact C-N 3.27Å; N540-L542 PolarHBondContact O-N 3.03Å; N540-L542 VanDerWaalsContact O-N 3.14Å; L542-R546 WeakPolarHBondContact O-CB 3.5Å; L542-R546 PolarHBondContact O-N 3.25Å
543D90.9Very high94.3Very high37 Ų3758.9 Ų58.920%0.19830%0.295CS..Hα-helixtrans-76.8-43.1178.8-59.4-88.7000109.5E431 N540 R541 R546 N547E431-D543 HydrophobicContact CG-CB 4.24Å; N540-D543 WeakPolarHBondContact O-CB 3.47Å; N540-D543 PolarHBondContact O-N 3.26Å; R541-D543 VanDerWaalsContact C-N 3.27Å; R541-D543 PolarHBondContact O-N 2.85Å; D543-R546 PolarHBondContact O-N 3.11Å; D543-R546 IonicContact OD1-CZ 2.95Å; D543-R546 IonicContact OD1-NH1 2.65Å; D543-R546 PolarHBondContact OD1-NH1 2.87Å; D543-R546 IonicContact OD1-NH2 3.99Å; D543-R546 PolarHBondContact OD1-NH2 2.86Å; D543-N547 WeakPolarHBondContact O-CB 3.17Å; D543-N547 PolarHBondContact O-N 3.11Å; D543-N547 PolarHBondContact O-ND2 3.44Å
544Y92.9Very high94.5Very high3 Ų362.2 Ų62.21%0.01231%0.309CS..Hα-helixtrans-58.5-48.8170.2-56.6-40.7000112.6V427 E431 V432 L533 D537 N540 R541 R546 N547 A548V427-Y544 HydrophobicContact CG1-CD1 4.32Å; E431-Y544 HydrophobicContact CB-CE1 4.03Å; V432-Y544 HydrophobicContact CG1-CE1 3.78Å; L533-Y544 HydrophobicContact CB-CD1 4.26Å; L533-Y544 HydrophobicContact CB-CD2 3.8Å; L533-Y544 HydrophobicContact CB-CE1 4.36Å; L533-Y544 HydrophobicContact CB-CE2 3.92Å; L533-Y544 HydrophobicContact CB-CG 4Å; L533-Y544 HydrophobicContact CD1-CD1 4Å; L533-Y544 HydrophobicContact CD1-CE1 4.11Å; L533-Y544 HydrophobicContact CD1-CG 4.46Å; D537-Y544 HydrophobicContact CB-CE2 4Å; D537-Y544 PolarHBondContact OD2-OH 3.46Å; N540-Y544 HydrophobicContact CB-CD2 4.47Å; N540-Y544 HydrophobicContact CB-CE2 3.79Å; N540-Y544 WeakPolarHBondContact O-CD2 3.33Å; N540-Y544 PolarHBondContact O-N 2.69Å; N540-Y544 VanDerWaalsContact O-N 3.15Å; R541-Y544 PolarHBondContact O-N 2.83Å; Y544-R546 PolarHBondContact O-N 3.42Å; Y544-N547 PolarHBondContact O-N 2.89Å; Y544-A548 WeakPolarHBondContact O-CB 3.31Å; Y544-A548 PolarHBondContact O-N 2.67Å
545E96.5Very high94.6Very high88 Ų8862.2 Ų62.241%0.41131%0.309SS..Hα-helixtrans-59.3-46.2176.2-76178.2-166.100112.1R541 G549R541-E545 WeakPolarHBondContact O-CG 3.46Å; R541-E545 PolarHBondContact O-N 3.42Å; E545-G549 PolarHBondContact O-N 3.45Å
546R97.4Very high94.9Very high141 Ų14162.6 Ų62.653%0.53231%0.305SS..Hα-helixtrans-63.2-45178.7-179.2-176.969.1-119.84.4112.1L542 D543 Y544 A550L542-R546 WeakPolarHBondContact O-CB 3.5Å; L542-R546 PolarHBondContact O-N 3.25Å; D543-R546 PolarHBondContact O-N 3.11Å; D543-R546 IonicContact OD1-CZ 2.95Å; D543-R546 IonicContact OD1-NH1 2.65Å; D543-R546 PolarHBondContact OD1-NH1 2.87Å; D543-R546 IonicContact OD1-NH2 3.99Å; D543-R546 PolarHBondContact OD1-NH2 2.86Å; Y544-R546 PolarHBondContact O-N 3.42Å; R546-A550 PolarHBondContact O-N 2.57Å
547N96.9Very high95.3Very high10 Ų1064.7 Ų64.75%0.05332%0.315CS..Hα-helixtrans-70.8-50.6-176.7-74.7-21.2000111.6V427 K429 D543 Y544 G549 A550 Y551V427-N547 WeakPolarHBondContact O-CB 3.21Å; V427-N547 PolarHBondContact O-ND2 3.08Å; K429-N547 WeakPolarHBondContact CE-OD1 3.32Å; K429-N547 PolarHBondContact NZ-OD1 3.47Å; D543-N547 WeakPolarHBondContact O-CB 3.17Å; D543-N547 PolarHBondContact O-N 3.11Å; D543-N547 PolarHBondContact O-ND2 3.44Å; Y544-N547 PolarHBondContact O-N 2.89Å; N547-G549 VanDerWaalsContact C-N 3.3Å; N547-G549 PolarHBondContact O-N 3.14Å; N547-A550 WeakPolarHBondContact O-CA 3.33Å; N547-A550 WeakPolarHBondContact O-CB 3.4Å; N547-A550 PolarHBondContact O-N 3.4Å; N547-Y551 PolarHBondContact O-N 2.67Å
548A97.7Very high95.7Very high2 Ų263.4 Ų63.42%0.01731%0.308CS..Hα-helixtrans-57.3-44.3173.200000111.3V427 V526 Q530 Y544 A550 Y551 I552V427-A548 HydrophobicContact CG1-CB 4.12Å; V427-A548 HydrophobicContact CG2-CB 3.88Å; V526-A548 HydrophobicContact CG1-CB 4.03Å; Q530-A548 HydrophobicContact CB-CB 3.72Å; Q530-A548 HydrophobicContact CG-CB 3.8Å; Y544-A548 WeakPolarHBondContact O-CB 3.31Å; Y544-A548 PolarHBondContact O-N 2.67Å; A548-A550 PolarHBondContact O-N 3.1Å; A548-Y551 PolarHBondContact O-N 3.47Å; A548-I552 VanDerWaalsContact O-CB 3.32Å; A548-I552 WeakPolarHBondContact O-CB 3.45Å; A548-I552 VanDerWaalsContact O-CG1 3.22Å; A548-I552 WeakPolarHBondContact O-CG1 3.36Å; A548-I552 PolarHBondContact O-N 3.25Å
549G97.1Very high96.1Very high25 Ų2561 Ų6126%0.25829%0.291SS..Hα-helixtrans-58.9-33.4175.100000113.5E545 N547 R553E545-G549 PolarHBondContact O-N 3.45Å; N547-G549 VanDerWaalsContact C-N 3.3Å; N547-G549 PolarHBondContact O-N 3.14Å; G549-R553 WeakPolarHBondContact O-CG 3.45Å; G549-R553 VanDerWaalsContact O-CZ 3.25Å; G549-R553 PolarHBondContact O-NH1 2.85Å
550A97.2Very high96.4Very high32 Ų3256.7 Ų56.726%0.26428%0.277SS..Hα-helixtrans-75.9-43.2174.500000112.9R546 N547 A548 R553 K554R546-A550 PolarHBondContact O-N 2.57Å; N547-A550 WeakPolarHBondContact O-CA 3.33Å; N547-A550 WeakPolarHBondContact O-CB 3.4Å; N547-A550 PolarHBondContact O-N 3.4Å; A548-A550 PolarHBondContact O-N 3.1Å; A550-R553 PolarHBondContact O-N 3.03Å; A550-K554 PolarHBondContact O-N 2.93Å
551Y97.9Very high96.7Very high0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-67.3-40.9178.6-168.1-117000112D422 M423 E426 V526 N547 A548 R553 K554 L555D422-Y551 PolarHBondContact OD2-OH 3.24Å; D422-Y551 VanDerWaalsContact OD2-OH 3.11Å; M423-Y551 HydrophobicContact CG-CE1 4.31Å; E426-Y551 HydrophobicContact CB-CD1 4.17Å; E426-Y551 HydrophobicContact CB-CD2 3.45Å; E426-Y551 VanDerWaalsContact CB-CD2 3.45Å; E426-Y551 HydrophobicContact CB-CE1 4.31Å; E426-Y551 HydrophobicContact CB-CE2 3.58Å; E426-Y551 HydrophobicContact CB-CG 3.74Å; E426-Y551 HydrophobicContact CG-CD2 3.54Å; E426-Y551 HydrophobicContact CG-CE2 3.36Å; E426-Y551 HydrophobicContact CG-CG 4.35Å; E426-Y551 WeakPolarHBondContact OE2-CD2 3.26Å; V526-Y551 HydrophobicContact CG1-CD1 4.1Å; V526-Y551 HydrophobicContact CG2-CD1 3.61Å; V526-Y551 HydrophobicContact CG2-CE1 3.73Å; N547-Y551 PolarHBondContact O-N 2.67Å; A548-Y551 PolarHBondContact O-N 3.47Å; Y551-R553 PolarHBondContact O-N 3.41Å; Y551-K554 HydrophobicContact CD2-CD 4.02Å; Y551-K554 WeakPolarHBondContact O-CB 3.48Å; Y551-K554 PolarHBondContact O-N 3.14Å; Y551-K554 VanDerWaalsContact O-N 3.14Å; Y551-L555 HydrophobicContact CD1-CD1 3.77Å; Y551-L555 HydrophobicContact CD1-CG 4.24Å; Y551-L555 HydrophobicContact CE1-CD1 3.72Å; Y551-L555 HydrophobicContact CE1-CD2 4.46Å; Y551-L555 HydrophobicContact CE1-CG 4.19Å; Y551-L555 WeakPolarHBondContact O-CG 3.48Å; Y551-L555 PolarHBondContact O-N 2.82Å
552I98.5Very high96.9Very high26 Ų2653 Ų5313%0.13327%0.267CS..Hα-helixtrans-59.4-30.3173.9-70169.5000111.9I523 V526 K527 A548 K556I523-I552 HydrophobicContact CG1-CG2 4.36Å; I523-I552 HydrophobicContact CG2-CD1 4.4Å; I523-I552 HydrophobicContact CG2-CG1 4.22Å; I523-I552 HydrophobicContact CG2-CG2 3.93Å; V526-I552 HydrophobicContact CB-CG1 4.26Å; V526-I552 HydrophobicContact CG1-CD1 3.93Å; V526-I552 HydrophobicContact CG1-CG1 3.67Å; K527-I552 HydrophobicContact CG-CD1 3.99Å; A548-I552 VanDerWaalsContact O-CB 3.32Å; A548-I552 WeakPolarHBondContact O-CB 3.45Å; A548-I552 VanDerWaalsContact O-CG1 3.22Å; A548-I552 WeakPolarHBondContact O-CG1 3.36Å; A548-I552 PolarHBondContact O-N 3.25Å; I552-K556 HydrophobicContact CG2-CD 4.17Å; I552-K556 HydrophobicContact CG2-CG 4.46Å; I552-K556 WeakPolarHBondContact O-CB 3.29Å; I552-K556 VanDerWaalsContact O-CG 3.28Å; I552-K556 WeakPolarHBondContact O-CG 3.47Å; I552-K556 PolarHBondContact O-N 3.1Å
553R98.3Very high97.1Very high146 Ų14650.7 Ų50.755%0.55125%0.252SS*.Hα-helixtrans-68.2-51.1172.6-73.9-175-64.2-92.17.6111.7G549 A550 Y551 L555 K556 E557G549-R553 WeakPolarHBondContact O-CG 3.45Å; G549-R553 VanDerWaalsContact O-CZ 3.25Å; G549-R553 PolarHBondContact O-NH1 2.85Å; A550-R553 PolarHBondContact O-N 3.03Å; Y551-R553 PolarHBondContact O-N 3.41Å; R553-L555 PolarHBondContact O-N 3.31Å; R553-K556 PolarHBondContact O-N 3.37Å; R553-K556 VanDerWaalsContact O-N 3.15Å; R553-E557 WeakPolarHBondContact O-CG 3.41Å; R553-E557 PolarHBondContact O-N 3.14Å
554K97.6Very high97.3Very high80 Ų8055.9 Ų55.935%0.34828%0.275SS..Hα-helixtrans-50.7-46.4173.7-61.9173.9178168.90111.5E426 A550 Y551 E557 L558 Y668E426-K554 IonicContact OE1-NZ 3.4Å; E426-K554 PolarHBondContact OE1-NZ 3.3Å; E426-K554 IonicContact OE2-NZ 2.95Å; E426-K554 PolarHBondContact OE2-NZ 2.99Å; A550-K554 PolarHBondContact O-N 2.93Å; Y551-K554 HydrophobicContact CD2-CD 4.02Å; Y551-K554 WeakPolarHBondContact O-CB 3.48Å; Y551-K554 PolarHBondContact O-N 3.14Å; Y551-K554 VanDerWaalsContact O-N 3.14Å; K554-E557 PolarHBondContact O-N 2.8Å; K554-L558 PolarHBondContact O-N 3.33Å; K554-Y668 HydrophobicContact CB-CD2 4.18Å; K554-Y668 HydrophobicContact CB-CE2 3.93Å
555L98.1Very high97.4Very high0 Ų058.7 Ų58.70%029%0.288CS..Hα-helixtrans-64.8-45.5-179.6-71.4-179000112.3I519 I523 V526 Y551 R553 E557 L558 D559 Y667 Y668I519-L555 HydrophobicContact CG2-CB 3.71Å; I519-L555 HydrophobicContact CG2-CD2 4.1Å; I519-L555 HydrophobicContact CG2-CG 4.36Å; I519-L555 WeakPolarHBondContact CG2-O 3.44Å; I523-L555 HydrophobicContact CD1-CB 4.05Å; I523-L555 HydrophobicContact CG1-CB 3.86Å; I523-L555 HydrophobicContact CG1-CD1 3.93Å; V526-L555 HydrophobicContact CG2-CD1 4.17Å; Y551-L555 HydrophobicContact CD1-CD1 3.77Å; Y551-L555 HydrophobicContact CD1-CG 4.24Å; Y551-L555 HydrophobicContact CE1-CD1 3.72Å; Y551-L555 HydrophobicContact CE1-CD2 4.46Å; Y551-L555 HydrophobicContact CE1-CG 4.19Å; Y551-L555 WeakPolarHBondContact O-CG 3.48Å; Y551-L555 PolarHBondContact O-N 2.82Å; R553-L555 PolarHBondContact O-N 3.31Å; L555-E557 VanDerWaalsContact C-N 3.34Å; L555-E557 PolarHBondContact O-N 2.83Å; L555-L558 PolarHBondContact O-N 3.36Å; L555-D559 WeakPolarHBondContact O-CB 3.48Å; L555-D559 PolarHBondContact O-N 3.22Å; L555-Y667 HydrophobicContact CD1-CE1 4.3Å; L555-Y667 HydrophobicContact CD2-CD1 4.06Å; L555-Y667 HydrophobicContact CD2-CE1 3.73Å; L555-Y668 HydrophobicContact CD2-CD2 4.19Å
556K98.3Very high97.4Very high120 Ų12054.7 Ų54.752%0.52227%0.269SS..Hα-helixtrans-63.5-37176.3-75.9178.9176.6-172.40113.3I523 I552 R553 A560I523-K556 HydrophobicContact CD1-CG 3.62Å; I552-K556 HydrophobicContact CG2-CD 4.17Å; I552-K556 HydrophobicContact CG2-CG 4.46Å; I552-K556 WeakPolarHBondContact O-CB 3.29Å; I552-K556 VanDerWaalsContact O-CG 3.28Å; I552-K556 WeakPolarHBondContact O-CG 3.47Å; I552-K556 PolarHBondContact O-N 3.1Å; R553-K556 PolarHBondContact O-N 3.37Å; R553-K556 VanDerWaalsContact O-N 3.15Å; K556-A560 WeakPolarHBondContact O-CB 3.46Å; K556-A560 PolarHBondContact O-N 3.33Å
557E98.1Very high97.3Very high130 Ų13051.5 Ų51.561%0.60727%0.273SS*.Hα-helixtrans-66.4-42.2176.5-71.4160.6-155.700111.2R553 K554 L555 S561R553-E557 WeakPolarHBondContact O-CG 3.41Å; R553-E557 PolarHBondContact O-N 3.14Å; K554-E557 PolarHBondContact O-N 2.8Å; L555-E557 VanDerWaalsContact C-N 3.34Å; L555-E557 PolarHBondContact O-N 2.83Å; E557-S561 WeakPolarHBondContact O-CB 3.25Å; E557-S561 PolarHBondContact O-N 3.01Å; E557-S561 VanDerWaalsContact O-N 3.15Å
558L98Very high97.2Very high15 Ų1556.5 Ų56.58%0.07930%0.3CS..Hα-helixtrans-64.8-44.8174179.460.9000112.1I519 K554 L555 S561 A562 Y668 M671 K672 L675I519-L558 HydrophobicContact CD1-CB 4.34Å; I519-L558 HydrophobicContact CD1-CD2 3.78Å; I519-L558 HydrophobicContact CD1-CG 3.79Å; K554-L558 PolarHBondContact O-N 3.33Å; L555-L558 PolarHBondContact O-N 3.36Å; L558-S561 PolarHBondContact O-N 2.76Å; L558-A562 VanDerWaalsContact O-CB 3.29Å; L558-A562 WeakPolarHBondContact O-CB 3.24Å; L558-A562 PolarHBondContact O-N 3.19Å; L558-Y668 HydrophobicContact CB-CE2 3.93Å; L558-Y668 HydrophobicContact CD2-CD2 3.99Å; L558-Y668 HydrophobicContact CD2-CE2 3.75Å; L558-Y668 HydrophobicContact CG-CE2 4.4Å; L558-M671 HydrophobicContact CD2-CB 4.25Å; L558-K672 HydrophobicContact CD1-CB 4.04Å; L558-K672 HydrophobicContact CD1-CG 3.98Å; L558-K672 HydrophobicContact CD2-CB 4.05Å; L558-L675 HydrophobicContact CD1-CD1 3.94Å; L558-L675 HydrophobicContact CD2-CD1 4.22Å; L558-L675 HydrophobicContact CG-CD1 3.85Å
559D98.2Very high97.1Very high22 Ų2256.6 Ų56.612%0.11830%0.3CS..Hα-helixtrans-64.7-41.2179.7-177.459.7000113.1I519 L555 A562 K563 Y590I519-D559 HydrophobicContact CB-CB 4.02Å; I519-D559 HydrophobicContact CD1-CB 4.27Å; I519-D559 HydrophobicContact CG2-CB 3.89Å; L555-D559 WeakPolarHBondContact O-CB 3.48Å; L555-D559 PolarHBondContact O-N 3.22Å; D559-A562 WeakPolarHBondContact O-CB 3.27Å; D559-A562 PolarHBondContact O-N 3.13Å; D559-K563 WeakPolarHBondContact O-CG 3.43Å; D559-K563 PolarHBondContact O-N 3.38Å; D559-K563 VanDerWaalsContact OD1-CE 3.29Å; D559-K563 WeakPolarHBondContact OD1-CE 3.11Å; D559-K563 IonicContact OD1-NZ 3.38Å; D559-K563 PolarHBondContact OD1-NZ 2.94Å; D559-K563 IonicContact OD2-NZ 2.63Å; D559-K563 PolarHBondContact OD2-NZ 3.5Å; D559-Y590 WeakPolarHBondContact OD1-CE1 3.3Å; D559-Y590 PolarHBondContact OD1-OH 3.11Å
560A97.7Very high97Very high61 Ų6157.5 Ų57.550%0.50430%0.301SS..Hα-helixtrans-64.9-46.5175.400000111.6K556 A562 K563 E564K556-A560 WeakPolarHBondContact O-CB 3.46Å; K556-A560 PolarHBondContact O-N 3.33Å; A560-A562 VanDerWaalsContact C-N 3.29Å; A560-A562 PolarHBondContact O-N 2.84Å; A560-K563 PolarHBondContact O-N 2.95Å; A560-E564 PolarHBondContact O-N 2.86Å
561S97Very high96.8Very high49 Ų4962.9 Ų62.934%0.34332%0.324SS..Hα-helixtrans-65.9-31.4177-175.60000112.5E557 L558 K565E557-S561 WeakPolarHBondContact O-CB 3.25Å; E557-S561 PolarHBondContact O-N 3.01Å; E557-S561 VanDerWaalsContact O-N 3.15Å; L558-S561 PolarHBondContact O-N 2.76Å; S561-K565 WeakPolarHBondContact O-CG 3.19Å; S561-K565 PolarHBondContact O-N 3.27Å; S561-K565 VanDerWaalsContact O-N 3.14Å
562A96.6Very high96.6Very high3 Ų367 Ų673%0.02534%0.343CS..Hα-helixtrans-64.6-51.217100000112L558 D559 A560 E564 K565 F566 Y590 L675L558-A562 VanDerWaalsContact O-CB 3.29Å; L558-A562 WeakPolarHBondContact O-CB 3.24Å; L558-A562 PolarHBondContact O-N 3.19Å; D559-A562 WeakPolarHBondContact O-CB 3.27Å; D559-A562 PolarHBondContact O-N 3.13Å; A560-A562 VanDerWaalsContact C-N 3.29Å; A560-A562 PolarHBondContact O-N 2.84Å; A562-E564 PolarHBondContact O-N 3.13Å; A562-K565 PolarHBondContact O-N 2.75Å; A562-F566 WeakPolarHBondContact O-CB 3.4Å; A562-F566 WeakPolarHBondContact O-CD2 3.33Å; A562-F566 PolarHBondContact O-N 3.49Å; A562-Y590 HydrophobicContact CB-CD1 3.95Å; A562-Y590 HydrophobicContact CB-CE1 3.55Å; A562-L675 HydrophobicContact CB-CD1 3.78Å; A562-L675 HydrophobicContact CB-CD2 3.5Å; A562-L675 HydrophobicContact CB-CG 4.2Å
563K97.3Very high96.4Very high75 Ų7568 Ų6833%0.32635%0.346SS..Hα-helixtrans-63-31.1-179.5-76.9161.6177.8156.60112.7D559 A560 A567 A589 Y590D559-K563 WeakPolarHBondContact O-CG 3.43Å; D559-K563 PolarHBondContact O-N 3.38Å; D559-K563 VanDerWaalsContact OD1-CE 3.29Å; D559-K563 WeakPolarHBondContact OD1-CE 3.11Å; D559-K563 IonicContact OD1-NZ 3.38Å; D559-K563 PolarHBondContact OD1-NZ 2.94Å; D559-K563 IonicContact OD2-NZ 2.63Å; D559-K563 PolarHBondContact OD2-NZ 3.5Å; A560-K563 PolarHBondContact O-N 2.95Å; K563-A567 PolarHBondContact O-N 2.79Å; K563-A589 WeakPolarHBondContact CE-O 3.47Å; K563-Y590 HydrophobicContact CD-CE1 4.26Å; K563-Y590 HydrophobicContact CG-CD1 3.7Å; K563-Y590 HydrophobicContact CG-CE1 3.78Å
564E95.9Very high96.3Very high146 Ų14662.1 Ų62.168%0.68233%0.325SS*.Hα-helixtrans-64.9-56.5169.6-171.8172.2-146.900111.5A560 A562 F566 A567A560-E564 PolarHBondContact O-N 2.86Å; A562-E564 PolarHBondContact O-N 3.13Å; E564-F566 PolarHBondContact O-N 3.14Å; E564-A567 WeakPolarHBondContact O-CB 3.32Å; E564-A567 PolarHBondContact O-N 3.33Å; E564-A567 VanDerWaalsContact O-N 3.17Å
565K95.1Very high96.3Very high62 Ų6259.3 Ų59.327%0.2731%0.314SS..Hα-helixtrans-56.4-43.1178.1-72.6172.4-177.9171.40113.6S561 A562 A567 D568 D676 H679S561-K565 WeakPolarHBondContact O-CG 3.19Å; S561-K565 PolarHBondContact O-N 3.27Å; S561-K565 VanDerWaalsContact O-N 3.14Å; A562-K565 PolarHBondContact O-N 2.75Å; K565-A567 PolarHBondContact O-N 2.91Å; K565-D568 WeakPolarHBondContact O-CB 3.49Å; K565-D568 PolarHBondContact O-N 3.42Å; K565-D568 VanDerWaalsContact O-N 3.09Å; K565-D676 IonicContact NZ-OD1 2.7Å; K565-D676 PolarHBondContact NZ-OD1 3.01Å; K565-H679 PolarHBondContact O-CD2 2.58Å; K565-H679 PolarHBondContact O-NE2 2.95Å
566F97Very high96.3Very high4 Ų459.4 Ų59.42%0.01831%0.314CS..THydrogen-bonded Turntrans-75.5-7.1-175.2-79.2-119.7000113A562 E564 I569 K574 F586 Y590 L592 L675 I678 H679A562-F566 WeakPolarHBondContact O-CB 3.4Å; A562-F566 WeakPolarHBondContact O-CD2 3.33Å; A562-F566 PolarHBondContact O-N 3.49Å; E564-F566 PolarHBondContact O-N 3.14Å; F566-I569 HydrophobicContact CB-CD1 4.22Å; F566-I569 HydrophobicContact CD1-CD1 3.7Å; F566-I569 HydrophobicContact CE1-CD1 4.19Å; F566-I569 HydrophobicContact CG-CD1 3.89Å; F566-K574 WeakPolarHBondContact O-CE 3.45Å; F566-K574 PolarHBondContact O-NZ 3.19Å; F566-F586 AromaticContact CE1-CE1 3.79Å; F566-F586 HydrophobicContact CE1-CE1 3.79Å; F566-F586 AromaticContact CE1-CZ 3.85Å; F566-F586 HydrophobicContact CE1-CZ 3.85Å; F566-F586 HydrophobicContact CZ-CE1 4.25Å; F566-F586 AromaticContact CZ-CZ 3.82Å; F566-F586 HydrophobicContact CZ-CZ 3.82Å; F566-Y590 HydrophobicContact CD1-CG 4.44Å; F566-L592 HydrophobicContact CD1-CD1 3.96Å; F566-L592 HydrophobicContact CD1-CD2 4.48Å; F566-L592 HydrophobicContact CD1-CG 4.23Å; F566-L592 HydrophobicContact CE1-CD1 3.82Å; F566-L675 HydrophobicContact CE2-CB 4.5Å; F566-L675 HydrophobicContact CE2-CD2 3.83Å; F566-L675 WeakPolarHBondContact CE2-O 3.45Å; F566-L675 HydrophobicContact CZ-CD2 3.95Å; F566-L675 WeakPolarHBondContact CZ-O 3.42Å; F566-I678 HydrophobicContact CE1-CB 4.35Å; F566-I678 HydrophobicContact CE1-CG2 3.74Å; F566-I678 HydrophobicContact CZ-CB 4.11Å; F566-I678 HydrophobicContact CZ-CG2 4Å; F566-H679 HydrophobicContact CD2-CB 4.3Å; F566-H679 HydrophobicContact CE2-CB 3.73Å; F566-H679 HydrophobicContact CZ-CB 4.08Å
567A95Very high96.3Very high74 Ų7453.7 Ų53.761%0.61229%0.289SS*.THydrogen-bonded Turntrans-77.8-24.1167.100000112.9K563 E564 K565 I569K563-A567 PolarHBondContact O-N 2.79Å; E564-A567 WeakPolarHBondContact O-CB 3.32Å; E564-A567 PolarHBondContact O-N 3.33Å; E564-A567 VanDerWaalsContact O-N 3.17Å; K565-A567 PolarHBondContact O-N 2.91Å; A567-I569 VanDerWaalsContact C-N 3.3Å
568D94.6Very high96.2Very high115 Ų11547.5 Ų47.562%0.61526%0.26SS*.SBendtrans-77.7-13.4177.1-70.4-25.5000113.1K565 P570 M683K565-D568 WeakPolarHBondContact O-CB 3.49Å; K565-D568 PolarHBondContact O-N 3.42Å; K565-D568 VanDerWaalsContact O-N 3.09Å; D568-P570 WeakPolarHBondContact O-CD 3.47Å; D568-M683 HydrophobicContact CB-CE 4.43Å
569I95.4Very high96Very high4 Ų446.8 Ų46.82%0.02126%0.257CS..SBendtrans-71.7120.3179.9-57.4174.2000109.8F566 A567 K573 K574 L592 L682 M683F566-I569 HydrophobicContact CB-CD1 4.22Å; F566-I569 HydrophobicContact CD1-CD1 3.7Å; F566-I569 HydrophobicContact CE1-CD1 4.19Å; F566-I569 HydrophobicContact CG-CD1 3.89Å; A567-I569 VanDerWaalsContact C-N 3.3Å; I569-K573 HydrophobicContact CG2-CB 4.26Å; I569-K574 HydrophobicContact CB-CG 4.28Å; I569-K574 HydrophobicContact CG2-CG 3.84Å; I569-K574 WeakPolarHBondContact O-CE 3.43Å; I569-L592 HydrophobicContact CD1-CD2 4.46Å; I569-L682 HydrophobicContact CD1-CB 4.37Å; I569-L682 HydrophobicContact CD1-CD1 4.44Å; I569-L682 HydrophobicContact CG2-CB 4.07Å; I569-M683 HydrophobicContact CB-SD 4.38Å; I569-M683 HydrophobicContact CG1-CG 4.28Å; I569-M683 HydrophobicContact CG1-SD 4.09Å
570P94.6Very high95.7Very high43 Ų4345.8 Ų45.828%0.27925%0.251SS..  trans-59.5142.1178.9-2333.5000112.6D568 E572 K573 K574D568-P570 WeakPolarHBondContact O-CD 3.47Å; P570-E572 VanDerWaalsContact C-N 3.28Å; P570-E572 VanDerWaalsContact CB-CD 3.42Å; P570-E572 HydrophobicContact CB-CG 4.46Å; P570-E572 WeakPolarHBondContact CB-OE1 3.28Å; P570-E572 WeakPolarHBondContact CB-OE2 3.41Å; P570-E572 PolarHBondContact O-N 3.42Å; P570-K573 HydrophobicContact CB-CG 4.36Å; P570-K573 HydrophobicContact CG-CD 4.41Å; P570-K573 WeakPolarHBondContact O-CA 3.48Å; P570-K573 WeakPolarHBondContact O-CB 3.28Å; P570-K573 PolarHBondContact O-N 3.07Å; P570-K574 PolarHBondContact O-N 2.82Å
571I94Very high95.5Very high145 Ų14542.9 Ų42.974%0.74423%0.227SC*.G310 helixtrans-63.3-32.6-168-166.3168000113.3K573 K574I571-K573 PolarHBondContact O-N 3.2Å; I571-K574 PolarHBondContact O-N 3.47Å
572E93.5Very high95.3Very high88 Ų8840.6 Ų40.641%0.41121%0.211SC..G310 helixtrans-65-22.5173.566.3-80.6-170.700113.4P570 E622P570-E572 VanDerWaalsContact C-N 3.28Å; P570-E572 VanDerWaalsContact CB-CD 3.42Å; P570-E572 HydrophobicContact CB-CG 4.46Å; P570-E572 WeakPolarHBondContact CB-OE1 3.28Å; P570-E572 WeakPolarHBondContact CB-OE2 3.41Å; P570-E572 PolarHBondContact O-N 3.42Å; E572-E622 HydrophobicContact CB-CB 4.14Å; E572-E622 HydrophobicContact CB-CG 4.42Å; E572-E622 HydrophobicContact CG-CB 4.24Å; E572-E622 PolarHBondContact O-N 2.88Å
573K95Very high95.2Very high45 Ų4540.4 Ų40.420%0.19621%0.21CC..G310 helixtrans-98.9-2.8177-53.6-167.1179.9-172.60113.8I569 P570 I571 L575 P624 L682 K684I569-K573 HydrophobicContact CG2-CB 4.26Å; P570-K573 HydrophobicContact CB-CG 4.36Å; P570-K573 HydrophobicContact CG-CD 4.41Å; P570-K573 WeakPolarHBondContact O-CA 3.48Å; P570-K573 WeakPolarHBondContact O-CB 3.28Å; P570-K573 PolarHBondContact O-N 3.07Å; I571-K573 PolarHBondContact O-N 3.2Å; K573-L575 PolarHBondContact O-N 3.15Å; K573-P624 HydrophobicContact CD-CG 4.21Å; K573-L682 WeakPolarHBondContact CD-O 3.36Å; K573-K684 PolarHBondContact NZ-OXT 2.61Å
574K95.8Very high95.2Very high23 Ų2338 Ų3810%0.120%0.199CC..  trans-75.141-177.1-74.8-175.8161.4-116.10114.1F566 I569 P570 I571 D591 L592 T593F566-K574 WeakPolarHBondContact O-CE 3.45Å; F566-K574 PolarHBondContact O-NZ 3.19Å; I569-K574 HydrophobicContact CB-CG 4.28Å; I569-K574 HydrophobicContact CG2-CG 3.84Å; I569-K574 WeakPolarHBondContact O-CE 3.43Å; P570-K574 PolarHBondContact O-N 2.82Å; I571-K574 PolarHBondContact O-N 3.47Å; K574-D591 WeakPolarHBondContact CD-O 3.31Å; K574-D591 PolarHBondContact NZ-O 2.95Å; K574-D591 IonicContact NZ-OD2 2.73Å; K574-D591 PolarHBondContact NZ-OD2 3.12Å; K574-L592 HydrophobicContact CB-CD2 3.76Å; K574-L592 HydrophobicContact CD-CD2 4.49Å; K574-L592 HydrophobicContact CG-CD2 3.75Å; K574-T593 PolarHBondContact O-N 3.41Å
575L97.2Very high95.2Very high22 Ų2231.1 Ų31.112%0.11517%0.167CC..EExtended strand (participates in β ladder)trans-115.9113.6173.7-172.673.3000109.7K573 V577 T593 A595 S621 V623 L682K573-L575 PolarHBondContact O-N 3.15Å; L575-V577 HydrophobicContact CD2-CG2 3.88Å; L575-V577 HydrophobicContact CG-CG2 3.99Å; L575-T593 WeakPolarHBondContact CA-O 3.33Å; L575-T593 HydrophobicContact CD1-CG2 3.66Å; L575-A595 HydrophobicContact CD1-CB 3.82Å; L575-A595 HydrophobicContact CD2-CB 4.45Å; L575-A595 HydrophobicContact CG-CB 4.22Å; L575-S621 VanDerWaalsContact CD2-OG 3.31Å; L575-S621 WeakPolarHBondContact CD2-OG 3.16Å; L575-V623 HydrophobicContact CB-CB 4.25Å; L575-V623 HydrophobicContact CB-CG2 4.39Å; L575-V623 HydrophobicContact CD2-CB 4.3Å; L575-V623 HydrophobicContact CD2-CG1 4.28Å; L575-V623 WeakPolarHBondContact O-CG2 3.24Å; L575-L682 WeakPolarHBondContact O-CD2 3.33Å
576L97.7Very high95.4Very high1 Ų128.1 Ų28.11%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-90.4116.9173.7174.952.6000109.3T578 F583 F586 L592 T593 A595 F627 I678L576-T578 HydrophobicContact CD1-CG2 3.88Å; L576-T578 HydrophobicContact CG-CG2 4.05Å; L576-F583 HydrophobicContact CD2-CB 3.62Å; L576-F583 HydrophobicContact CD2-CD1 3.83Å; L576-F583 HydrophobicContact CD2-CG 3.84Å; L576-F583 HydrophobicContact CG-CB 4.37Å; L576-F586 HydrophobicContact CD2-CD1 3.76Å; L576-F586 HydrophobicContact CD2-CE1 3.96Å; L576-L592 HydrophobicContact CB-CD1 4.15Å; L576-L592 HydrophobicContact CD2-CD1 4.38Å; L576-T593 PolarHBondContact N-O 2.84Å; L576-A595 PolarHBondContact O-N 2.88Å; L576-A595 VanDerWaalsContact O-O 3.09Å; L576-F627 HydrophobicContact CD1-CD2 3.59Å; L576-F627 HydrophobicContact CD1-CE2 3.92Å; L576-F627 HydrophobicContact CD1-CG 4.22Å; L576-I678 HydrophobicContact CD1-CD1 4.17Å; L576-I678 HydrophobicContact CD1-CG1 3.98Å; L576-I678 HydrophobicContact CD1-CG2 4.06Å; L576-I678 HydrophobicContact CD2-CD1 3.84Å; L576-I678 HydrophobicContact CD2-CG1 4.48Å; L576-I678 HydrophobicContact CD2-CG2 4.37Å
577V97.8Very high95.4Very high0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-109.5115.2-178.1-1760000110.9L575 A595 I614 V618 V623 L626 F627 M637 L640L575-V577 HydrophobicContact CD2-CG2 3.88Å; L575-V577 HydrophobicContact CG-CG2 3.99Å; V577-A595 WeakPolarHBondContact CA-O 3.44Å; V577-A595 HydrophobicContact CG2-CB 4.35Å; V577-I614 HydrophobicContact CG1-CD1 4.11Å; V577-I614 HydrophobicContact CG1-CG1 4.27Å; V577-V618 HydrophobicContact CG1-CG2 4.02Å; V577-V618 HydrophobicContact CG2-CG2 3.95Å; V577-V623 HydrophobicContact CG2-CG1 4.23Å; V577-V623 HydrophobicContact CG2-CG2 4.14Å; V577-L626 HydrophobicContact CB-CD2 3.8Å; V577-L626 HydrophobicContact CG1-CD2 3.61Å; V577-L626 HydrophobicContact CG2-CD2 4.31Å; V577-F627 PolarHBondContact O-N 3.22Å; V577-M637 HydrophobicContact CG1-CE 4.48Å; V577-L640 HydrophobicContact CG1-CD2 4.01Å
578T96.8Very high95.5Very high1 Ų130.5 Ų30.51%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-129.3177.5-176.256.90000111.1L576 E580 F583 A595 Y596 I597 F627 E629 M637 L652L576-T578 HydrophobicContact CD1-CG2 3.88Å; L576-T578 HydrophobicContact CG-CG2 4.05Å; T578-E580 PolarHBondContact OG1-O 2.69Å; T578-F583 HydrophobicContact CG2-CD2 3.59Å; T578-F583 HydrophobicContact CG2-CE2 3.85Å; T578-F583 HydrophobicContact CG2-CG 4.26Å; T578-A595 PolarHBondContact N-O 2.92Å; T578-Y596 VanDerWaalsContact O-CA 3.32Å; T578-Y596 WeakPolarHBondContact O-CA 3.22Å; T578-I597 PolarHBondContact O-N 2.98Å; T578-F627 HydrophobicContact CG2-CB 4.19Å; T578-E629 VanDerWaalsContact CB-OE1 3.3Å; T578-E629 WeakPolarHBondContact CB-OE1 3.22Å; T578-M637 WeakPolarHBondContact O-CE 3.5Å; T578-L652 HydrophobicContact CG2-CD1 4.24Å
579S94.5Very high95.6Very high0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-82-47179.9-39.80000110.8I597 W598 E629S579-I597 WeakPolarHBondContact O-CA 3.24Å; S579-I597 VanDerWaalsContact O-CB 3.32Å; S579-I597 WeakPolarHBondContact O-CB 3.38Å; S579-I597 PolarHBondContact O-N 2.96Å; S579-W598 PolarHBondContact O-N 2.83Å; S579-E629 WeakPolarHBondContact CB-OE2 3.32Å; S579-E629 VanDerWaalsContact N-CD 3.32Å; S579-E629 PolarHBondContact N-OE1 3.2Å; S579-E629 PolarHBondContact N-OE2 3.4Å; S579-E629 PolarHBondContact OG-OE2 3.18Å
580E92.2Very high95.7Very high0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-101.8157.2177.3-178.3167.7-154.400111.2H514 T578 A582 Y596 W598 I600 N601 E629H514-E580 IonicContact CE1-OE1 2.73Å; H514-E580 IonicContact NE2-OE1 3.59Å; T578-E580 PolarHBondContact OG1-O 2.69Å; E580-A582 HydrophobicContact CG-CB 4.36Å; E580-A582 PolarHBondContact O-N 3.1Å; E580-A582 VanDerWaalsContact O-N 3.09Å; E580-Y596 VanDerWaalsContact C-CB 3.46Å; E580-Y596 WeakPolarHBondContact O-CB 3.38Å; E580-W598 CarbonylContact C-O 3.48Å; E580-W598 VanDerWaalsContact CA-O 3.29Å; E580-W598 WeakPolarHBondContact CA-O 3.4Å; E580-I600 VanDerWaalsContact OE1-CA 3.26Å; E580-I600 WeakPolarHBondContact OE1-CA 3.32Å; E580-N601 VanDerWaalsContact CD-CG 3.42Å; E580-N601 PolarHBondContact OE1-N 2.67Å; E580-N601 PolarHBondContact OE1-ND2 3.47Å; E580-N601 VanDerWaalsContact OE1-ND2 3.16Å; E580-N601 VanDerWaalsContact OE2-CG 3.3Å; E580-N601 PolarHBondContact OE2-ND2 2.92Å; E580-N601 PolarHBondContact OE2-OD1 3.04Å; E580-E629 PolarHBondContact N-OE1 2.96Å
581G92.5Very high95.8Very high1 Ų129.4 Ų29.41%0.0115%0.145CC..G310 helixtrans-71.58.8176.900000115.9F583 K584 Y596 W598 E599G581-F583 PolarHBondContact O-N 3.47Å; G581-K584 WeakPolarHBondContact O-CE 3.28Å; G581-K584 WeakPolarHBondContact O-CG 3.46Å; G581-K584 PolarHBondContact O-N 3.19Å; G581-Y596 VanDerWaalsContact CA-CG 3.44Å; G581-W598 PolarHBondContact N-O 3.36Å; G581-E599 VanDerWaalsContact CA-O 3.29Å; G581-E599 WeakPolarHBondContact CA-O 3.38Å; G581-E599 PolarHBondContact N-O 3.28Å
582A92.5Very high95.9Very high0 Ų023.3 Ų23.30%011%0.114CC..G310 helixtrans-49.5-37.6-173.300000114.4H514 L517 E580 K584 T654H514-A582 HydrophobicContact CB-CB 4.24Å; H514-A582 WeakPolarHBondContact CB-O 3.43Å; H514-A582 WeakPolarHBondContact CD2-CB 3.41Å; H514-A582 VanDerWaalsContact CG-CA 3.45Å; L517-A582 HydrophobicContact CD1-CB 4.08Å; E580-A582 HydrophobicContact CG-CB 4.36Å; E580-A582 PolarHBondContact O-N 3.1Å; E580-A582 VanDerWaalsContact O-N 3.09Å; A582-K584 PolarHBondContact O-N 3.05Å; A582-T654 HydrophobicContact CB-CG2 3.69Å
583F95.9Very high96Very high0 Ų023.3 Ų23.30%012%0.12CC..G310 helixtrans-79.118.6-171.6-67.3-94.8000115L517 L576 T578 G581 F586 S587 E629 L652 T654 I678L517-F583 HydrophobicContact CD1-CD1 4.06Å; L517-F583 HydrophobicContact CD1-CE1 4.08Å; L517-F583 HydrophobicContact CD1-CG 4.28Å; L517-F583 HydrophobicContact CD1-CZ 4.31Å; L576-F583 HydrophobicContact CD2-CB 3.62Å; L576-F583 HydrophobicContact CD2-CD1 3.83Å; L576-F583 HydrophobicContact CD2-CG 3.84Å; L576-F583 HydrophobicContact CG-CB 4.37Å; T578-F583 HydrophobicContact CG2-CD2 3.59Å; T578-F583 HydrophobicContact CG2-CE2 3.85Å; T578-F583 HydrophobicContact CG2-CG 4.26Å; G581-F583 PolarHBondContact O-N 3.47Å; F583-F586 HydrophobicContact CB-CB 4.22Å; F583-F586 HydrophobicContact CD1-CB 3.93Å; F583-F586 HydrophobicContact CD1-CD1 4.15Å; F583-F586 HydrophobicContact CD1-CD2 4.25Å; F583-F586 AromaticContact CD1-CG 3.86Å; F583-F586 HydrophobicContact CD1-CG 3.86Å; F583-S587 VanDerWaalsContact O-CB 3.23Å; F583-S587 WeakPolarHBondContact O-CB 3.24Å; F583-S587 PolarHBondContact O-N 2.81Å; F583-S587 PolarHBondContact O-OG 2.85Å; F583-E629 HydrophobicContact CE2-CG 4.18Å; F583-L652 HydrophobicContact CE1-CD1 4.11Å; F583-L652 HydrophobicContact CE2-CD1 4.21Å; F583-L652 HydrophobicContact CZ-CB 3.95Å; F583-L652 HydrophobicContact CZ-CD1 3.73Å; F583-L652 HydrophobicContact CZ-CG 4.5Å; F583-T654 HydrophobicContact CD2-CG2 4.22Å; F583-T654 HydrophobicContact CE2-CG2 3.28Å; F583-T654 HydrophobicContact CZ-CG2 3.55Å; F583-I678 HydrophobicContact CD1-CD1 4.17Å; F583-I678 HydrophobicContact CE1-CD1 4Å
584K96Very high96Very high23 Ų2322.4 Ų22.410%0.112%0.121CC..Hα-helixtrans-59.8-50.2175.4-82.6173.8-112.8163.60113I502 D512 G581 A582 S587 K588 A594 E599I502-K584 HydrophobicContact CD1-CB 4.37Å; I502-K584 HydrophobicContact CG2-CD 4.39Å; D512-K584 VanDerWaalsContact OD2-CD 3.29Å; D512-K584 WeakPolarHBondContact OD2-CD 3.46Å; D512-K584 WeakPolarHBondContact OD2-CE 3.36Å; D512-K584 IonicContact OD2-NZ 2.72Å; D512-K584 PolarHBondContact OD2-NZ 2.98Å; G581-K584 WeakPolarHBondContact O-CE 3.28Å; G581-K584 WeakPolarHBondContact O-CG 3.46Å; G581-K584 PolarHBondContact O-N 3.19Å; A582-K584 PolarHBondContact O-N 3.05Å; K584-S587 PolarHBondContact O-N 2.89Å; K584-K588 PolarHBondContact O-N 2.82Å; K584-A594 HydrophobicContact CG-CB 4.39Å; K584-E599 VanDerWaalsContact NZ-CD 3.35Å; K584-E599 IonicContact NZ-OE1 3.46Å; K584-E599 PolarHBondContact NZ-OE1 2.87Å
585Y97.3Very high96Very high2 Ų221.4 Ų21.41%0.00812%0.117CC..Hα-helixtrans-66.1-44.2177.4-67-92.3000112.1V499 I502 D512 H514 A515 N521 S587 K588 A589V499-Y585 HydrophobicContact CG1-CE1 4.33Å; I502-Y585 HydrophobicContact CB-CE1 3.94Å; I502-Y585 HydrophobicContact CB-CE2 4.1Å; I502-Y585 HydrophobicContact CD1-CD1 3.55Å; I502-Y585 HydrophobicContact CD1-CD2 4.16Å; I502-Y585 HydrophobicContact CD1-CE1 3.81Å; I502-Y585 HydrophobicContact CD1-CE2 4.39Å; I502-Y585 HydrophobicContact CD1-CG 3.76Å; I502-Y585 HydrophobicContact CG1-CD1 3.9Å; I502-Y585 HydrophobicContact CG1-CE1 3.6Å; I502-Y585 HydrophobicContact CG1-CE2 4.47Å; I502-Y585 HydrophobicContact CG1-CG 4.46Å; I502-Y585 PolarHBondContact N-OH 3.33Å; D512-Y585 HydrophobicContact CB-CE2 3.79Å; D512-Y585 WeakPolarHBondContact O-CE2 3.43Å; D512-Y585 PolarHBondContact O-OH 3.19Å; H514-Y585 HydrophobicContact CB-CD2 4.33Å; H514-Y585 WeakPolarHBondContact O-CD2 3.32Å; A515-Y585 HydrophobicContact CB-CD1 4.21Å; A515-Y585 HydrophobicContact CB-CD2 4.39Å; A515-Y585 HydrophobicContact CB-CE1 3.92Å; A515-Y585 HydrophobicContact CB-CE2 4.11Å; A515-Y585 HydrophobicContact CB-CG 4.42Å; N521-Y585 WeakPolarHBondContact ND2-CD1 3.04Å; Y585-S587 VanDerWaalsContact C-N 3.29Å; Y585-S587 PolarHBondContact O-N 2.83Å; Y585-K588 WeakPolarHBondContact O-CB 3.25Å; Y585-K588 PolarHBondContact O-N 3.32Å; Y585-A589 WeakPolarHBondContact O-CB 3.43Å; Y585-A589 PolarHBondContact O-N 2.94Å
586F97.9Very high95.9Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-53.3-47.2173.8-176.4-83.8000111.7L517 F566 L576 F583 A589 Y590 L592 M671 L675 I678L517-F586 HydrophobicContact CB-CB 3.99Å; L517-F586 WeakPolarHBondContact O-CA 3.26Å; L517-F586 WeakPolarHBondContact O-CB 3.29Å; L517-F586 WeakPolarHBondContact O-CD2 3.46Å; F566-F586 AromaticContact CE1-CE1 3.79Å; F566-F586 HydrophobicContact CE1-CE1 3.79Å; F566-F586 AromaticContact CE1-CZ 3.85Å; F566-F586 HydrophobicContact CE1-CZ 3.85Å; F566-F586 HydrophobicContact CZ-CE1 4.25Å; F566-F586 AromaticContact CZ-CZ 3.82Å; F566-F586 HydrophobicContact CZ-CZ 3.82Å; L576-F586 HydrophobicContact CD2-CD1 3.76Å; L576-F586 HydrophobicContact CD2-CE1 3.96Å; F583-F586 HydrophobicContact CB-CB 4.22Å; F583-F586 HydrophobicContact CD1-CB 3.93Å; F583-F586 HydrophobicContact CD1-CD1 4.15Å; F583-F586 HydrophobicContact CD1-CD2 4.25Å; F583-F586 AromaticContact CD1-CG 3.86Å; F583-F586 HydrophobicContact CD1-CG 3.86Å; F586-A589 PolarHBondContact O-N 3.12Å; F586-A589 VanDerWaalsContact O-N 3.12Å; F586-Y590 HydrophobicContact CD1-CD2 4.04Å; F586-Y590 AromaticContact CD2-CD2 3.79Å; F586-Y590 HydrophobicContact CD2-CD2 3.79Å; F586-Y590 AromaticContact CD2-CE2 3.87Å; F586-Y590 HydrophobicContact CD2-CE2 3.87Å; F586-Y590 AromaticContact CE1-CD2 3.97Å; F586-Y590 HydrophobicContact CE1-CD2 3.97Å; F586-Y590 AromaticContact CE2-CD2 3.73Å; F586-Y590 HydrophobicContact CE2-CD2 3.73Å; F586-Y590 AromaticContact CE2-CE2 3.9Å; F586-Y590 HydrophobicContact CE2-CE2 3.9Å; F586-Y590 AromaticContact CG-CD2 3.93Å; F586-Y590 HydrophobicContact CG-CD2 3.93Å; F586-Y590 HydrophobicContact CG-CE2 4.37Å; F586-Y590 AromaticContact CZ-CD2 3.82Å; F586-Y590 HydrophobicContact CZ-CD2 3.82Å; F586-Y590 HydrophobicContact CZ-CE2 4.41Å; F586-Y590 VanDerWaalsContact O-CD2 3.23Å; F586-Y590 WeakPolarHBondContact O-CD2 3.49Å; F586-Y590 PolarHBondContact O-N 3.14Å; F586-L592 HydrophobicContact CE1-CD1 4.09Å; F586-M671 HydrophobicContact CD2-CE 4.26Å; F586-M671 HydrophobicContact CE2-CE 4.5Å; F586-L675 HydrophobicContact CE2-CD2 3.72Å; F586-L675 HydrophobicContact CE2-CG 4.18Å; F586-L675 HydrophobicContact CZ-CD2 3.82Å; F586-I678 HydrophobicContact CD1-CD1 4.26Å; F586-I678 HydrophobicContact CE1-CD1 3.53Å; F586-I678 HydrophobicContact CE1-CG2 4.17Å; F586-I678 HydrophobicContact CE2-CD1 4Å; F586-I678 HydrophobicContact CZ-CB 4.39Å; F586-I678 HydrophobicContact CZ-CD1 3.37Å; F586-I678 HydrophobicContact CZ-CG1 4.47Å; F586-I678 HydrophobicContact CZ-CG2 4.47Å
587S97.2Very high95.8Very high4 Ų422.2 Ų22.23%0.02812%0.119CC..Hα-helixtrans-70.2-35.5-177.3-56.60000112.1F583 K584 Y585 A589 D591 L592F583-S587 VanDerWaalsContact O-CB 3.23Å; F583-S587 WeakPolarHBondContact O-CB 3.24Å; F583-S587 PolarHBondContact O-N 2.81Å; F583-S587 PolarHBondContact O-OG 2.85Å; K584-S587 PolarHBondContact O-N 2.89Å; Y585-S587 VanDerWaalsContact C-N 3.29Å; Y585-S587 PolarHBondContact O-N 2.83Å; S587-A589 VanDerWaalsContact C-N 3.3Å; S587-A589 PolarHBondContact O-N 3.05Å; S587-D591 PolarHBondContact O-N 2.99Å; S587-L592 WeakPolarHBondContact CB-O 3.27Å; S587-L592 PolarHBondContact O-N 3Å
588K96.6Very high95.5Very high124 Ų12422.3 Ų22.354%0.53912%0.119SC..Hα-helixtrans-61.5-36.4168.3-177.6-175.8175.7-173.20111.9E500 I502 K584 Y585E500-K588 IonicContact OE2-NZ 2.8Å; E500-K588 PolarHBondContact OE2-NZ 3.13Å; I502-K588 HydrophobicContact CD1-CD 4.01Å; K584-K588 PolarHBondContact O-N 2.82Å; Y585-K588 WeakPolarHBondContact O-CB 3.25Å; Y585-K588 PolarHBondContact O-N 3.32Å
589A97Very high95.1Very high16 Ų1623.1 Ų23.113%0.13212%0.123CC..Hα-helixtrans-80.1-32.1-176.300000114.3D518 K563 Y585 F586 S587D518-A589 HydrophobicContact CB-CB 3.93Å; D518-A589 VanDerWaalsContact CG-CB 3.47Å; D518-A589 WeakPolarHBondContact OD1-CB 3.33Å; K563-A589 WeakPolarHBondContact CE-O 3.47Å; Y585-A589 WeakPolarHBondContact O-CB 3.43Å; Y585-A589 PolarHBondContact O-N 2.94Å; F586-A589 PolarHBondContact O-N 3.12Å; F586-A589 VanDerWaalsContact O-N 3.12Å; S587-A589 VanDerWaalsContact C-N 3.3Å; S587-A589 PolarHBondContact O-N 3.05Å
590Y97.5Very high94.6Very high4 Ų424 Ų242%0.01613%0.128CC..THydrogen-bonded Turntrans-116.721.5-173.8-56.4-63.8000114.1I519 D559 A562 K563 F566 F586 L675I519-Y590 WeakPolarHBondContact CG1-OH 3.46Å; D559-Y590 WeakPolarHBondContact OD1-CE1 3.3Å; D559-Y590 PolarHBondContact OD1-OH 3.11Å; A562-Y590 HydrophobicContact CB-CD1 3.95Å; A562-Y590 HydrophobicContact CB-CE1 3.55Å; K563-Y590 HydrophobicContact CD-CE1 4.26Å; K563-Y590 HydrophobicContact CG-CD1 3.7Å; K563-Y590 HydrophobicContact CG-CE1 3.78Å; F566-Y590 HydrophobicContact CD1-CG 4.44Å; F586-Y590 HydrophobicContact CD1-CD2 4.04Å; F586-Y590 AromaticContact CD2-CD2 3.79Å; F586-Y590 HydrophobicContact CD2-CD2 3.79Å; F586-Y590 AromaticContact CD2-CE2 3.87Å; F586-Y590 HydrophobicContact CD2-CE2 3.87Å; F586-Y590 AromaticContact CE1-CD2 3.97Å; F586-Y590 HydrophobicContact CE1-CD2 3.97Å; F586-Y590 AromaticContact CE2-CD2 3.73Å; F586-Y590 HydrophobicContact CE2-CD2 3.73Å; F586-Y590 AromaticContact CE2-CE2 3.9Å; F586-Y590 HydrophobicContact CE2-CE2 3.9Å; F586-Y590 AromaticContact CG-CD2 3.93Å; F586-Y590 HydrophobicContact CG-CD2 3.93Å; F586-Y590 HydrophobicContact CG-CE2 4.37Å; F586-Y590 AromaticContact CZ-CD2 3.82Å; F586-Y590 HydrophobicContact CZ-CD2 3.82Å; F586-Y590 HydrophobicContact CZ-CE2 4.41Å; F586-Y590 VanDerWaalsContact O-CD2 3.23Å; F586-Y590 WeakPolarHBondContact O-CD2 3.49Å; F586-Y590 PolarHBondContact O-N 3.14Å; Y590-L675 HydrophobicContact CD1-CD2 4.34Å; Y590-L675 HydrophobicContact CD2-CD2 4Å; Y590-L675 HydrophobicContact CE1-CD2 4.2Å; Y590-L675 HydrophobicContact CE2-CD2 3.84Å; Y590-L675 HydrophobicContact CG-CD2 4.3Å
591D96.1Very high93.7Very high118 Ų11824.6 Ų24.663%0.63113%0.13SC*.THydrogen-bonded Turntrans53.160.2175.9-174.154.6000112.7K574 S587K574-D591 WeakPolarHBondContact CD-O 3.31Å; K574-D591 PolarHBondContact NZ-O 2.95Å; K574-D591 IonicContact NZ-OD2 2.73Å; K574-D591 PolarHBondContact NZ-OD2 3.12Å; S587-D591 PolarHBondContact O-N 2.99Å
592L96.8Very high92.7Very high18 Ų1827.5 Ų27.59%0.09415%0.148CC..  trans-128.6163174-61.7-178.9000111F566 I569 K574 L576 F586 S587 I678 L682F566-L592 HydrophobicContact CD1-CD1 3.96Å; F566-L592 HydrophobicContact CD1-CD2 4.48Å; F566-L592 HydrophobicContact CD1-CG 4.23Å; F566-L592 HydrophobicContact CE1-CD1 3.82Å; I569-L592 HydrophobicContact CD1-CD2 4.46Å; K574-L592 HydrophobicContact CB-CD2 3.76Å; K574-L592 HydrophobicContact CD-CD2 4.49Å; K574-L592 HydrophobicContact CG-CD2 3.75Å; L576-L592 HydrophobicContact CB-CD1 4.15Å; L576-L592 HydrophobicContact CD2-CD1 4.38Å; F586-L592 HydrophobicContact CE1-CD1 4.09Å; S587-L592 WeakPolarHBondContact CB-O 3.27Å; S587-L592 PolarHBondContact O-N 3Å; L592-I678 HydrophobicContact CD1-CG2 4.04Å; L592-L682 HydrophobicContact CD1-CD1 3.99Å; L592-L682 HydrophobicContact CD2-CD1 4.06Å
593T95.9Very high91.2Very high87 Ų8736.4 Ų36.453%0.53419%0.19SC..EExtended strand (participates in β ladder)trans-96.1127.7164.5-58.10000109.6K574 L575 L576K574-T593 PolarHBondContact O-N 3.41Å; L575-T593 WeakPolarHBondContact CA-O 3.33Å; L575-T593 HydrophobicContact CD1-CG2 3.66Å; L576-T593 PolarHBondContact N-O 2.84Å
594A94.9Very high90.1Very high26 Ų2639.7 Ų39.722%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-84.2133.8173.600000111.5K584K584-A594 HydrophobicContact CG-CB 4.39Å
595A95.8Very high89.6Confident2 Ų242.3 Ų42.32%0.01723%0.226CC..EExtended strand (participates in β ladder)trans-137.1144.4169.200000110.7L575 L576 V577 T578 I614 K617L575-A595 HydrophobicContact CD1-CB 3.82Å; L575-A595 HydrophobicContact CD2-CB 4.45Å; L575-A595 HydrophobicContact CG-CB 4.22Å; L576-A595 PolarHBondContact O-N 2.88Å; L576-A595 VanDerWaalsContact O-O 3.09Å; V577-A595 WeakPolarHBondContact CA-O 3.44Å; V577-A595 HydrophobicContact CG2-CB 4.35Å; T578-A595 PolarHBondContact N-O 2.92Å; A595-I614 HydrophobicContact CB-CD1 3.75Å; A595-K617 HydrophobicContact CB-CD 4.43Å
596Y95.4Very high89Confident35 Ų3542.9 Ų42.914%0.13723%0.232CC..EExtended strand (participates in β ladder)trans-152.7158.5-166.143-97.9000111.6T578 E580 G581 W598 E599T578-Y596 VanDerWaalsContact O-CA 3.32Å; T578-Y596 WeakPolarHBondContact O-CA 3.22Å; E580-Y596 VanDerWaalsContact C-CB 3.46Å; E580-Y596 WeakPolarHBondContact O-CB 3.38Å; G581-Y596 VanDerWaalsContact CA-CG 3.44Å; Y596-W598 WeakPolarHBondContact CD2-O 3.22Å; Y596-E599 HydrophobicContact CD2-CB 4.39Å; Y596-E599 HydrophobicContact CE2-CB 3.78Å; Y596-E599 HydrophobicContact CE2-CG 4Å; Y596-E599 PolarHBondContact OH-OE1 3.09Å
597I94.6Very high88.6Confident5 Ų545 Ų453%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-77.8-51.7177.1-48.6177.8000109.7T578 S579 Q610 M611 I614 M637 L640T578-I597 PolarHBondContact O-N 2.98Å; S579-I597 WeakPolarHBondContact O-CA 3.24Å; S579-I597 VanDerWaalsContact O-CB 3.32Å; S579-I597 WeakPolarHBondContact O-CB 3.38Å; S579-I597 PolarHBondContact O-N 2.96Å; I597-Q610 HydrophobicContact CG2-CB 4.19Å; I597-Q610 WeakPolarHBondContact O-CB 3.47Å; I597-Q610 VanDerWaalsContact O-CG 3.28Å; I597-Q610 WeakPolarHBondContact O-CG 3.27Å; I597-M611 HydrophobicContact CD1-CE 4.17Å; I597-M611 HydrophobicContact CG2-CE 3.95Å; I597-I614 HydrophobicContact CB-CG2 4.49Å; I597-I614 HydrophobicContact CG1-CG1 4.47Å; I597-I614 HydrophobicContact CG1-CG2 4.14Å; I597-I614 HydrophobicContact CG2-CG2 4.39Å; I597-M637 HydrophobicContact CD1-CE 3.73Å; I597-M637 HydrophobicContact CG1-CE 4.09Å; I597-L640 HydrophobicContact CD1-CD2 4.33Å; I597-L640 HydrophobicContact CG1-CD2 4.21Å
598W91.8Very high88.3Confident3 Ų349.6 Ų49.61%0.01128%0.275CS..EExtended strand (participates in β ladder)trans-122.9158.3171.256.992.8000110.8S579 E580 G581 Y596 N601 Q605 V632S579-W598 PolarHBondContact O-N 2.83Å; E580-W598 CarbonylContact C-O 3.48Å; E580-W598 VanDerWaalsContact CA-O 3.29Å; E580-W598 WeakPolarHBondContact CA-O 3.4Å; G581-W598 PolarHBondContact N-O 3.36Å; Y596-W598 WeakPolarHBondContact CD2-O 3.22Å; W598-N601 PolarHBondContact NE1-OD1 2.7Å; W598-Q605 HydrophobicContact CD2-CB 3.98Å; W598-Q605 HydrophobicContact CD2-CG 4.1Å; W598-Q605 HydrophobicContact CE3-CB 4Å; W598-Q605 HydrophobicContact CG-CG 4.4Å; W598-Q605 HydrophobicContact CH2-CB 4.23Å; W598-Q605 HydrophobicContact CZ2-CB 4.2Å; W598-Q605 HydrophobicContact CZ2-CG 4.19Å; W598-Q605 HydrophobicContact CZ3-CB 4.14Å; W598-V632 HydrophobicContact CZ2-CB 4.07Å; W598-V632 HydrophobicContact CZ2-CG1 4.2Å; W598-V632 HydrophobicContact CZ2-CG2 4.4Å
599E89.2Confident88.1Confident18 Ų1848.1 Ų48.18%0.08427%0.269CS..SBendtrans-83-39.4-172.4-173.8169.6-145.900113.9L504 T505 S506 G581 K584 Y596L504-E599 HydrophobicContact CD2-CG 4.22Å; T505-E599 WeakPolarHBondContact CB-OE1 3.45Å; T505-E599 VanDerWaalsContact N-CD 3.33Å; T505-E599 PolarHBondContact N-OE1 2.97Å; T505-E599 PolarHBondContact N-OE2 3.29Å; T505-E599 VanDerWaalsContact N-OE2 3.13Å; T505-E599 PolarHBondContact OG1-OE1 3.27Å; T505-E599 PolarHBondContact OG1-OE2 3.45Å; S506-E599 VanDerWaalsContact CB-OE2 3.24Å; S506-E599 WeakPolarHBondContact CB-OE2 3.36Å; S506-E599 PolarHBondContact N-OE2 2.88Å; S506-E599 PolarHBondContact OG-OE2 2.9Å; G581-E599 VanDerWaalsContact CA-O 3.29Å; G581-E599 WeakPolarHBondContact CA-O 3.38Å; G581-E599 PolarHBondContact N-O 3.28Å; K584-E599 VanDerWaalsContact NZ-CD 3.35Å; K584-E599 IonicContact NZ-OE1 3.46Å; K584-E599 PolarHBondContact NZ-OE1 2.87Å; Y596-E599 HydrophobicContact CD2-CB 4.39Å; Y596-E599 HydrophobicContact CE2-CB 3.78Å; Y596-E599 HydrophobicContact CE2-CG 4Å; Y596-E599 PolarHBondContact OH-OE1 3.09Å
600I83.8Confident87.9Confident19 Ų1949.2 Ų49.210%0.09727%0.272CS..SBendtrans-150.6150178.8-168.8168.7000108.5L504 P513 E580 T602L504-I600 HydrophobicContact CD1-CB 4.4Å; L504-I600 HydrophobicContact CD1-CD1 4.08Å; L504-I600 HydrophobicContact CD1-CG2 3.91Å; P513-I600 HydrophobicContact CG-CD1 4Å; E580-I600 VanDerWaalsContact OE1-CA 3.26Å; E580-I600 WeakPolarHBondContact OE1-CA 3.32Å; I600-T602 HydrophobicContact CG2-CG2 4.19Å; I600-T602 PolarHBondContact O-N 3.18Å
601N73.9Confident87.7Confident11 Ų1149.3 Ų49.36%0.05927%0.273CS..  trans-60.1128.6176.9-66.6-35.8000111.2E580 W598E580-N601 VanDerWaalsContact CD-CG 3.42Å; E580-N601 PolarHBondContact OE1-N 2.67Å; E580-N601 PolarHBondContact OE1-ND2 3.47Å; E580-N601 VanDerWaalsContact OE1-ND2 3.16Å; E580-N601 VanDerWaalsContact OE2-CG 3.3Å; E580-N601 PolarHBondContact OE2-ND2 2.92Å; E580-N601 PolarHBondContact OE2-OD1 3.04Å; W598-N601 PolarHBondContact NE1-OD1 2.7Å
602T70Confident87.6Confident62 Ų6248.3 Ų48.338%0.3826%0.262SS..SBendtrans-157.4173.7-179.854.60000108.1I600 S604 Q605I600-T602 HydrophobicContact CG2-CG2 4.19Å; I600-T602 PolarHBondContact O-N 3.18Å; T602-S604 PolarHBondContact O-N 3.23Å; T602-Q605 WeakPolarHBondContact O-CG 3.43Å
603E61.3Low87.5Confident187 Ų18752 Ų5287%0.87428%0.279SS*.SBendtrans-53-14.8172.6-60.7-175.6169.200115.6
604S74.1Confident87.5Confident70 Ų7047.9 Ų47.949%0.4925%0.254SS..  trans-119.370.2-172-71.80000113.9T602 Q610T602-S604 PolarHBondContact O-N 3.23Å; S604-Q610 PolarHBondContact O-NE2 3.38Å; S604-Q610 PolarHBondContact O-OE1 2.95Å
605Q83.8Confident87.5Confident78 Ų7847 Ų4736%0.36425%0.246SC..  trans-92.8150.6174.9-56.7177.115.100112.4W598 T602 T607W598-Q605 HydrophobicContact CD2-CB 3.98Å; W598-Q605 HydrophobicContact CD2-CG 4.1Å; W598-Q605 HydrophobicContact CE3-CB 4Å; W598-Q605 HydrophobicContact CG-CG 4.4Å; W598-Q605 HydrophobicContact CH2-CB 4.23Å; W598-Q605 HydrophobicContact CZ2-CB 4.2Å; W598-Q605 HydrophobicContact CZ2-CG 4.19Å; W598-Q605 HydrophobicContact CZ3-CB 4.14Å; T602-Q605 WeakPolarHBondContact O-CG 3.43Å; Q605-T607 VanDerWaalsContact C-N 3.26Å; Q605-T607 PolarHBondContact O-N 2.87Å; Q605-T607 VanDerWaalsContact O-N 3.14Å
606G85.7Confident87.5Confident13 Ų1352.3 Ų52.313%0.13427%0.271CS..SBendtrans6319.2169.300000116.9Q610G606-Q610 VanDerWaalsContact N-OE1 3.14Å
607T89.5Confident87.4Confident45 Ų4555.3 Ų55.328%0.27628%0.284SS..  trans-62159.4-175.566.80000112.7Q605 E609 Q610 M611Q605-T607 VanDerWaalsContact C-N 3.26Å; Q605-T607 PolarHBondContact O-N 2.87Å; Q605-T607 VanDerWaalsContact O-N 3.14Å; T607-E609 VanDerWaalsContact C-N 3.29Å; T607-E609 PolarHBondContact O-N 2.95Å; T607-Q610 PolarHBondContact O-N 2.82Å; T607-Q610 WeakPolarHBondContact OG1-CB 3.44Å; T607-Q610 VanDerWaalsContact OG1-CG 3.28Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.34Å; T607-Q610 PolarHBondContact OG1-N 3Å; T607-Q610 PolarHBondContact OG1-OE1 3.21Å; T607-M611 VanDerWaalsContact O-CB 3.32Å; T607-M611 WeakPolarHBondContact O-CB 3.43Å; T607-M611 PolarHBondContact O-N 3.25Å
608P90.8Very high87.5Confident101 Ų10155.3 Ų55.366%0.65629%0.285SS*.Hα-helixtrans-58.3-34.5-178.9-26.735.9000114.8K612P608-K612 WeakPolarHBondContact O-CB 3.47Å; P608-K612 PolarHBondContact O-N 3.37Å
609E91.4Very high87.7Confident92 Ų9262.5 Ų62.543%0.4331%0.312SS..Hα-helixtrans-78-43.3179.9-177.957.3-153.300111.7T607 M611 K612 Q613T607-E609 VanDerWaalsContact C-N 3.29Å; T607-E609 PolarHBondContact O-N 2.95Å; E609-M611 VanDerWaalsContact C-N 3.32Å; E609-M611 PolarHBondContact O-N 2.86Å; E609-K612 PolarHBondContact O-N 2.96Å; E609-K612 IonicContact OE1-NZ 2.66Å; E609-K612 PolarHBondContact OE1-NZ 3.3Å; E609-K612 IonicContact OE2-NZ 2.72Å; E609-K612 PolarHBondContact OE2-NZ 2.88Å; E609-Q613 WeakPolarHBondContact O-CG 3.41Å; E609-Q613 PolarHBondContact O-N 2.71Å; E609-Q613 PolarHBondContact OE1-NE2 3.4Å
610Q92.9Very high87.9Confident40 Ų4065.8 Ų65.819%0.18734%0.342CS..Hα-helixtrans-52.8-50.3169.1-81165.4-18.100111.3I597 S604 G606 T607 K612 Q613 I614I597-Q610 HydrophobicContact CG2-CB 4.19Å; I597-Q610 WeakPolarHBondContact O-CB 3.47Å; I597-Q610 VanDerWaalsContact O-CG 3.28Å; I597-Q610 WeakPolarHBondContact O-CG 3.27Å; S604-Q610 PolarHBondContact O-NE2 3.38Å; S604-Q610 PolarHBondContact O-OE1 2.95Å; G606-Q610 VanDerWaalsContact N-OE1 3.14Å; T607-Q610 PolarHBondContact O-N 2.82Å; T607-Q610 WeakPolarHBondContact OG1-CB 3.44Å; T607-Q610 VanDerWaalsContact OG1-CG 3.28Å; T607-Q610 WeakPolarHBondContact OG1-CG 3.34Å; T607-Q610 PolarHBondContact OG1-N 3Å; T607-Q610 PolarHBondContact OG1-OE1 3.21Å; Q610-K612 VanDerWaalsContact C-N 3.34Å; Q610-K612 PolarHBondContact O-N 3.44Å; Q610-Q613 PolarHBondContact O-N 3.18Å; Q610-I614 WeakPolarHBondContact O-CG2 3.4Å; Q610-I614 PolarHBondContact O-N 3.07Å; Q610-I614 VanDerWaalsContact O-N 3.12Å
611M94.6Very high88.4Confident6 Ų666.8 Ų66.83%0.0335%0.351CS..Hα-helixtrans-60.5-40.3177.9-173.758.450.800112.3I597 T607 E609 I614 V615 S636 R639 L640I597-M611 HydrophobicContact CD1-CE 4.17Å; I597-M611 HydrophobicContact CG2-CE 3.95Å; T607-M611 VanDerWaalsContact O-CB 3.32Å; T607-M611 WeakPolarHBondContact O-CB 3.43Å; T607-M611 PolarHBondContact O-N 3.25Å; E609-M611 VanDerWaalsContact C-N 3.32Å; E609-M611 PolarHBondContact O-N 2.86Å; M611-I614 VanDerWaalsContact O-CG2 3.28Å; M611-I614 WeakPolarHBondContact O-CG2 3.37Å; M611-I614 HydrophobicContact SD-CG2 4.46Å; M611-V615 WeakPolarHBondContact O-CB 3.29Å; M611-V615 WeakPolarHBondContact O-CG2 3.42Å; M611-V615 PolarHBondContact O-N 3.13Å; M611-V615 VanDerWaalsContact O-N 3.11Å; M611-V615 HydrophobicContact SD-CG2 4.39Å; M611-S636 WeakPolarHBondContact CE-O 3.35Å; M611-R639 HydrophobicContact CE-CB 4.45Å; M611-R639 HydrophobicContact CE-CG 4.42Å; M611-R639 HydrophobicContact SD-CG 4.27Å; M611-L640 HydrophobicContact CE-CB 4.48Å; M611-L640 HydrophobicContact SD-CB 4.01Å; M611-L640 HydrophobicContact SD-CD1 4.26Å
612K93.6Very high89.3Confident96 Ų9672.8 Ų72.842%0.41738%0.379SS..Hα-helixtrans-64.8-47.6175.7177.6-172.5147.5-1300111.7P608 E609 Q610 I614 V615 E616P608-K612 WeakPolarHBondContact O-CB 3.47Å; P608-K612 PolarHBondContact O-N 3.37Å; E609-K612 PolarHBondContact O-N 2.96Å; E609-K612 IonicContact OE1-NZ 2.66Å; E609-K612 PolarHBondContact OE1-NZ 3.3Å; E609-K612 IonicContact OE2-NZ 2.72Å; E609-K612 PolarHBondContact OE2-NZ 2.88Å; Q610-K612 VanDerWaalsContact C-N 3.34Å; Q610-K612 PolarHBondContact O-N 3.44Å; K612-I614 VanDerWaalsContact C-N 3.33Å; K612-I614 PolarHBondContact O-N 3.07Å; K612-V615 PolarHBondContact O-N 2.68Å; K612-E616 WeakPolarHBondContact CE-OE1 3.39Å; K612-E616 WeakPolarHBondContact O-CG 3.29Å; K612-E616 PolarHBondContact O-N 3.43Å
613Q93.7Very high90.5Very high95 Ų9570.1 Ų70.144%0.44436%0.362SS..Hα-helixtrans-62.5-38.6-177.3-71.3175.915.500112.6E609 Q610 K617E609-Q613 WeakPolarHBondContact O-CG 3.41Å; E609-Q613 PolarHBondContact O-N 2.71Å; E609-Q613 PolarHBondContact OE1-NE2 3.4Å; Q610-Q613 PolarHBondContact O-N 3.18Å; Q613-K617 WeakPolarHBondContact O-CG 3.28Å; Q613-K617 PolarHBondContact O-N 2.68Å; Q613-K617 VanDerWaalsContact O-N 3.15Å
614I95.9Very high92.1Very high1 Ų162.3 Ų62.31%0.00533%0.328CS..Hα-helixtrans-74.2-36.9175.9-168.956.3000112.3V577 A595 I597 Q610 M611 K612 E616 K617 V618 L640V577-I614 HydrophobicContact CG1-CD1 4.11Å; V577-I614 HydrophobicContact CG1-CG1 4.27Å; A595-I614 HydrophobicContact CB-CD1 3.75Å; I597-I614 HydrophobicContact CB-CG2 4.49Å; I597-I614 HydrophobicContact CG1-CG1 4.47Å; I597-I614 HydrophobicContact CG1-CG2 4.14Å; I597-I614 HydrophobicContact CG2-CG2 4.39Å; Q610-I614 WeakPolarHBondContact O-CG2 3.4Å; Q610-I614 PolarHBondContact O-N 3.07Å; Q610-I614 VanDerWaalsContact O-N 3.12Å; M611-I614 VanDerWaalsContact O-CG2 3.28Å; M611-I614 WeakPolarHBondContact O-CG2 3.37Å; M611-I614 HydrophobicContact SD-CG2 4.46Å; K612-I614 VanDerWaalsContact C-N 3.33Å; K612-I614 PolarHBondContact O-N 3.07Å; I614-E616 VanDerWaalsContact C-N 3.33Å; I614-E616 PolarHBondContact O-N 3.32Å; I614-K617 HydrophobicContact CD1-CB 4.42Å; I614-K617 HydrophobicContact CD1-CD 4.42Å; I614-K617 PolarHBondContact O-N 3.08Å; I614-V618 HydrophobicContact CD1-CG2 4.18Å; I614-V618 HydrophobicContact CG1-CG2 4.25Å; I614-V618 WeakPolarHBondContact O-CB 3.39Å; I614-V618 VanDerWaalsContact O-CG2 3.28Å; I614-V618 WeakPolarHBondContact O-CG2 3.49Å; I614-V618 PolarHBondContact O-N 2.89Å; I614-L640 HydrophobicContact CB-CD2 4.49Å; I614-L640 HydrophobicContact CG1-CD2 3.66Å; I614-L640 HydrophobicContact CG2-CD1 3.95Å; I614-L640 HydrophobicContact CG2-CD2 3.98Å
615V96.1Very high93.2Very high9 Ų959 Ų596%0.05531%0.305CS..Hα-helixtrans-60.3-41.8173166.80000111.5M611 K612 R619 L640 E643 V644M611-V615 WeakPolarHBondContact O-CB 3.29Å; M611-V615 WeakPolarHBondContact O-CG2 3.42Å; M611-V615 PolarHBondContact O-N 3.13Å; M611-V615 VanDerWaalsContact O-N 3.11Å; M611-V615 HydrophobicContact SD-CG2 4.39Å; K612-V615 PolarHBondContact O-N 2.68Å; V615-R619 HydrophobicContact CG1-CG 4.49Å; V615-R619 VanDerWaalsContact CG1-CZ 3.47Å; V615-R619 VanDerWaalsContact CG1-NH1 3.32Å; V615-R619 WeakPolarHBondContact O-CB 3.43Å; V615-R619 WeakPolarHBondContact O-CG 3.42Å; V615-R619 PolarHBondContact O-N 3.14Å; V615-L640 HydrophobicContact CB-CD1 4.48Å; V615-L640 HydrophobicContact CG2-CD1 3.48Å; V615-L640 VanDerWaalsContact CG2-CD1 3.48Å; V615-E643 HydrophobicContact CB-CG 4.47Å; V615-E643 HydrophobicContact CG1-CG 3.99Å; V615-E643 HydrophobicContact CG2-CB 4.23Å; V615-E643 HydrophobicContact CG2-CG 3.57Å; V615-V644 HydrophobicContact CB-CG1 4.39Å; V615-V644 HydrophobicContact CG1-CG1 4.22Å; V615-V644 HydrophobicContact CG2-CG1 4.08Å
616E95.2Very high93.9Very high113 Ų11355.3 Ų55.353%0.52829%0.287SS..Hα-helixtrans-64.9-42.6175.7-74.1174.8-176.600112K612 I614 A620K612-E616 WeakPolarHBondContact CE-OE1 3.39Å; K612-E616 WeakPolarHBondContact O-CG 3.29Å; K612-E616 PolarHBondContact O-N 3.43Å; I614-E616 VanDerWaalsContact C-N 3.33Å; I614-E616 PolarHBondContact O-N 3.32Å; E616-A620 WeakPolarHBondContact O-CB 3.45Å; E616-A620 PolarHBondContact O-N 3.35Å
617K94.4Very high94.4Very high98 Ų9854.7 Ų54.743%0.42628%0.281SS..Hα-helixtrans-62.9-47174.4-74.5174.2-178.8176.90112.7A595 Q613 I614 A620A595-K617 HydrophobicContact CB-CD 4.43Å; Q613-K617 WeakPolarHBondContact O-CG 3.28Å; Q613-K617 PolarHBondContact O-N 2.68Å; Q613-K617 VanDerWaalsContact O-N 3.15Å; I614-K617 HydrophobicContact CD1-CB 4.42Å; I614-K617 HydrophobicContact CD1-CD 4.42Å; I614-K617 PolarHBondContact O-N 3.08Å; K617-A620 PolarHBondContact O-N 3.25Å
618V95.9Very high94.7Very high5 Ų552.6 Ų52.63%0.0327%0.268CS..Hα-helixtrans-65.2-47.3-177.4170.80000111V577 I614 A620 S621 V623 L626 V644 L646V577-V618 HydrophobicContact CG1-CG2 4.02Å; V577-V618 HydrophobicContact CG2-CG2 3.95Å; I614-V618 HydrophobicContact CD1-CG2 4.18Å; I614-V618 HydrophobicContact CG1-CG2 4.25Å; I614-V618 WeakPolarHBondContact O-CB 3.39Å; I614-V618 VanDerWaalsContact O-CG2 3.28Å; I614-V618 WeakPolarHBondContact O-CG2 3.49Å; I614-V618 PolarHBondContact O-N 2.89Å; V618-A620 PolarHBondContact O-N 3.26Å; V618-A620 VanDerWaalsContact O-N 3.11Å; V618-S621 PolarHBondContact O-N 2.7Å; V618-S621 PolarHBondContact O-OG 2.77Å; V618-V623 HydrophobicContact CG1-CG1 3.92Å; V618-L626 HydrophobicContact CG2-CD2 4.5Å; V618-V644 HydrophobicContact CB-CG1 4.22Å; V618-V644 HydrophobicContact CG1-CB 3.89Å; V618-V644 HydrophobicContact CG1-CG1 3.94Å; V618-V644 HydrophobicContact CG1-CG2 3.85Å; V618-L646 HydrophobicContact CG1-CD1 3.61Å
619R95.1Very high94.7Very high153 Ų15348 Ų4858%0.57724%0.238SC*.THydrogen-bonded Turntrans-65.8-10.4176.8-70.5177175.8158.60.1114.1V615 E643 V644V615-R619 HydrophobicContact CG1-CG 4.49Å; V615-R619 VanDerWaalsContact CG1-CZ 3.47Å; V615-R619 VanDerWaalsContact CG1-NH1 3.32Å; V615-R619 WeakPolarHBondContact O-CB 3.43Å; V615-R619 WeakPolarHBondContact O-CG 3.42Å; V615-R619 PolarHBondContact O-N 3.14Å; R619-E643 IonicContact CZ-OE1 3.57Å; R619-E643 IonicContact NH1-OE1 3.61Å; R619-E643 PolarHBondContact NH2-O 3.27Å; R619-E643 IonicContact NH2-OE1 2.7Å; R619-E643 PolarHBondContact NH2-OE1 3.27Å; R619-V644 HydrophobicContact CG-CG1 4.35Å
620A94.2Very high94.4Very high88 Ų8846.4 Ų46.473%0.72723%0.234SC*.THydrogen-bonded Turntrans-100.413.1174.700000113.4E616 K617 V618E616-A620 WeakPolarHBondContact O-CB 3.45Å; E616-A620 PolarHBondContact O-N 3.35Å; K617-A620 PolarHBondContact O-N 3.25Å; V618-A620 PolarHBondContact O-N 3.26Å; V618-A620 VanDerWaalsContact O-N 3.11Å
621S94.1Very high93.8Very high40 Ų4046.2 Ų46.228%0.2824%0.238SC..SBendtrans-135.9166.2-17771.20000111.9L575 V618 V623L575-S621 VanDerWaalsContact CD2-OG 3.31Å; L575-S621 WeakPolarHBondContact CD2-OG 3.16Å; V618-S621 PolarHBondContact O-N 2.7Å; V618-S621 PolarHBondContact O-OG 2.77Å; S621-V623 VanDerWaalsContact C-N 3.35Å; S621-V623 VanDerWaalsContact OG-CG1 3.3Å; S621-V623 WeakPolarHBondContact OG-CG1 3.13Å
622E93.6Very high93.2Very high137 Ų13746.9 Ų46.964%0.6424%0.242SC*.  trans-101.131.9174.2-58.9-172.7-147.200111.6E572 P624E572-E622 HydrophobicContact CB-CB 4.14Å; E572-E622 HydrophobicContact CB-CG 4.42Å; E572-E622 HydrophobicContact CG-CB 4.24Å; E572-E622 PolarHBondContact O-N 2.88Å; E622-P624 WeakPolarHBondContact O-CD 3.24Å
623V95.2Very high92.8Very high5 Ų545.4 Ų45.43%0.0324%0.239CC..  trans-64.6122.8178.7680000110.9L575 V577 V618 S621 S625 L646 L682L575-V623 HydrophobicContact CB-CB 4.25Å; L575-V623 HydrophobicContact CB-CG2 4.39Å; L575-V623 HydrophobicContact CD2-CB 4.3Å; L575-V623 HydrophobicContact CD2-CG1 4.28Å; L575-V623 WeakPolarHBondContact O-CG2 3.24Å; V577-V623 HydrophobicContact CG2-CG1 4.23Å; V577-V623 HydrophobicContact CG2-CG2 4.14Å; V618-V623 HydrophobicContact CG1-CG1 3.92Å; S621-V623 VanDerWaalsContact C-N 3.35Å; S621-V623 VanDerWaalsContact OG-CG1 3.3Å; S621-V623 WeakPolarHBondContact OG-CG1 3.13Å; V623-S625 WeakPolarHBondContact CG2-O 3.49Å; V623-L646 HydrophobicContact CG1-CD1 3.8Å; V623-L646 VanDerWaalsContact O-CD1 3.28Å; V623-L646 WeakPolarHBondContact O-CD1 3.39Å; V623-L682 HydrophobicContact CG2-CD2 3.99Å
624P94.6Very high92.8Very high24 Ų2444.9 Ų44.916%0.15623%0.233CC..  trans-89.3-7.2-171.837.2-40.9000113.9K573 E622 G681 K684K573-P624 HydrophobicContact CD-CG 4.21Å; E622-P624 WeakPolarHBondContact O-CD 3.24Å; P624-G681 WeakPolarHBondContact CG-O 3.12Å; P624-K684 HydrophobicContact CB-CB 4Å; P624-K684 WeakPolarHBondContact CB-OXT 3.32Å; P624-K684 HydrophobicContact CG-CB 4.29Å; P624-K684 WeakPolarHBondContact CG-OXT 3.3Å
625S97Very high92.7Very high1 Ų153.3 Ų53.31%0.00726%0.264CS..  trans-162147.5-170.9-79.30000112.7V623V623-S625 WeakPolarHBondContact CG2-O 3.49Å
626L97.6Very high92.6Very high0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-104160.8174.5-51.4176.9000110.3V577 V618 M637 L640 V644 L646 P647 I648 Y649V577-L626 HydrophobicContact CB-CD2 3.8Å; V577-L626 HydrophobicContact CG1-CD2 3.61Å; V577-L626 HydrophobicContact CG2-CD2 4.31Å; V618-L626 HydrophobicContact CG2-CD2 4.5Å; L626-M637 HydrophobicContact CB-SD 3.8Å; L626-M637 HydrophobicContact CD1-SD 3.93Å; L626-M637 HydrophobicContact CG-SD 4.36Å; L626-L640 HydrophobicContact CD1-CD2 4.45Å; L626-L640 HydrophobicContact CD1-CG 4.08Å; L626-V644 HydrophobicContact CD1-CG2 4.1Å; L626-L646 HydrophobicContact CD1-CB 4.15Å; L626-L646 HydrophobicContact CD2-CB 4.45Å; L626-L646 HydrophobicContact CD2-CD1 4.14Å; L626-L646 HydrophobicContact CG-CB 3.95Å; L626-P647 PolarHBondContact N-O 2.86Å; L626-I648 HydrophobicContact CB-CG1 4.49Å; L626-I648 CarbonylContact O-C 3.59Å; L626-I648 WeakPolarHBondContact O-CA 3.43Å; L626-Y649 PolarHBondContact O-N 3.49Å
627F97.8Very high92.6Very high0 Ų048.6 Ų48.60%024%0.244CC..EExtended strand (participates in β ladder)trans-133.1156179.3-59-91.1000110.8L576 V577 T578 M637 Y649 L652 K677 I678 L682L576-F627 HydrophobicContact CD1-CD2 3.59Å; L576-F627 HydrophobicContact CD1-CE2 3.92Å; L576-F627 HydrophobicContact CD1-CG 4.22Å; V577-F627 PolarHBondContact O-N 3.22Å; T578-F627 HydrophobicContact CG2-CB 4.19Å; F627-M637 WeakPolarHBondContact O-CE 3.44Å; F627-M637 WeakPolarHBondContact O-CG 3.44Å; F627-Y649 HydrophobicContact CE1-CD1 4.02Å; F627-L652 HydrophobicContact CB-CD1 3.47Å; F627-L652 VanDerWaalsContact CB-CD1 3.47Å; F627-L652 HydrophobicContact CB-CG 3.96Å; F627-L652 HydrophobicContact CD1-CD1 3.93Å; F627-L652 HydrophobicContact CD1-CD2 4.09Å; F627-L652 HydrophobicContact CD1-CG 4.05Å; F627-L652 HydrophobicContact CG-CD1 3.83Å; F627-L652 HydrophobicContact CG-CG 4.35Å; F627-K677 WeakPolarHBondContact CE1-O 3.24Å; F627-I678 HydrophobicContact CD1-CG1 4.5Å; F627-I678 HydrophobicContact CE1-CG1 4.31Å; F627-L682 HydrophobicContact CE2-CD2 4.03Å; F627-L682 HydrophobicContact CE2-CG 4.31Å; F627-L682 HydrophobicContact CZ-CG 4.42Å
628V94.9Very high92.8Very high1 Ų147.1 Ų47.11%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-138.9141.3-17867.90000111.5V632 R634 M637 I648 S650 D651 L652V628-V632 HydrophobicContact CG2-CG2 4.4Å; V628-R634 HydrophobicContact CG2-CB 4.35Å; V628-R634 HydrophobicContact CG2-CG 4.13Å; V628-M637 HydrophobicContact CB-CB 4.16Å; V628-M637 HydrophobicContact CB-CG 4.02Å; V628-M637 HydrophobicContact CG2-CB 3.88Å; V628-M637 HydrophobicContact CG2-CG 4.31Å; V628-I648 HydrophobicContact CB-CG2 4.15Å; V628-I648 HydrophobicContact CG1-CG2 3.73Å; V628-S650 PolarHBondContact N-O 3.21Å; V628-D651 CarbonylContact O-C 3.52Å; V628-D651 VanDerWaalsContact O-CA 3.25Å; V628-D651 WeakPolarHBondContact O-CA 3.46Å; V628-L652 PolarHBondContact O-N 3.12Å
629E90.6Very high92.8Very high3 Ų352.8 Ų52.81%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-86.2141.2-172.5-57.688.3143.700111.5T578 S579 E580 F583 S631 V632 L652 T654T578-E629 VanDerWaalsContact CB-OE1 3.3Å; T578-E629 WeakPolarHBondContact CB-OE1 3.22Å; S579-E629 WeakPolarHBondContact CB-OE2 3.32Å; S579-E629 VanDerWaalsContact N-CD 3.32Å; S579-E629 PolarHBondContact N-OE1 3.2Å; S579-E629 PolarHBondContact N-OE2 3.4Å; S579-E629 PolarHBondContact OG-OE2 3.18Å; E580-E629 PolarHBondContact N-OE1 2.96Å; F583-E629 HydrophobicContact CE2-CG 4.18Å; E629-S631 PolarHBondContact O-N 2.91Å; E629-V632 HydrophobicContact CB-CG1 4.14Å; E629-V632 HydrophobicContact CB-CG2 3.82Å; E629-V632 PolarHBondContact O-N 3.14Å; E629-L652 CarbonylContact C-O 3.36Å; E629-L652 VanDerWaalsContact CA-O 3.28Å; E629-L652 WeakPolarHBondContact CA-O 3.39Å; E629-T654 HydrophobicContact CB-CG2 4.29Å; E629-T654 HydrophobicContact CG-CG2 3.64Å
630T86.1Confident92.9Very high59 Ų5945.5 Ų45.536%0.36223%0.232SC..THydrogen-bonded Turntrans-70.8-10.8-179.654.20000114.4D651 L652 F653T630-D651 HydrophobicContact CG2-CB 4.13Å; T630-L652 PolarHBondContact N-O 2.91Å; T630-L652 PolarHBondContact OG1-O 3.41Å; T630-F653 HydrophobicContact CG2-CD1 3.88Å; T630-F653 HydrophobicContact CG2-CE1 3.82Å; T630-F653 HydrophobicContact CG2-CZ 4.46Å; T630-F653 WeakPolarHBondContact OG1-CD1 3.38Å
631S78.6Confident93Very high37 Ų3742.4 Ų42.426%0.25921%0.205SC..THydrogen-bonded Turntrans-96-11.417834.20000114E629 T654E629-S631 PolarHBondContact O-N 2.91Å; S631-T654 PolarHBondContact OG-OG1 3.1Å
632V82.3Confident93.1Very high19 Ų1948 Ų4812%0.11522%0.224CC..SBendtrans-115.6162.8-171.2-50.70000113.1W598 V628 E629 R634W598-V632 HydrophobicContact CZ2-CB 4.07Å; W598-V632 HydrophobicContact CZ2-CG1 4.2Å; W598-V632 HydrophobicContact CZ2-CG2 4.4Å; V628-V632 HydrophobicContact CG2-CG2 4.4Å; E629-V632 HydrophobicContact CB-CG1 4.14Å; E629-V632 HydrophobicContact CB-CG2 3.82Å; E629-V632 PolarHBondContact O-N 3.14Å; V632-R634 PolarHBondContact O-N 3.41Å
633D86.2Confident93.2Very high66 Ų6646.2 Ų46.235%0.35322%0.216SC..  trans-75.5114176.9-167.5-51.4000112.1R635D633-R635 VanDerWaalsContact CG-NE 3.27Å; D633-R635 PolarHBondContact O-N 3.21Å; D633-R635 WeakPolarHBondContact OD1-CB 3.38Å; D633-R635 WeakPolarHBondContact OD1-CG 3.43Å; D633-R635 IonicContact OD1-CZ 3.04Å; D633-R635 PolarHBondContact OD1-N 3.15Å; D633-R635 IonicContact OD1-NE 3.65Å; D633-R635 PolarHBondContact OD1-NE 3.16Å; D633-R635 IonicContact OD1-NH2 2.71Å; D633-R635 IonicContact OD2-CZ 2.82Å; D633-R635 IonicContact OD2-NE 3.65Å; D633-R635 PolarHBondContact OD2-NE 3.45Å; D633-R635 IonicContact OD2-NH2 2.74Å; D633-R635 PolarHBondContact OD2-NH2 3.28Å
634R93.3Very high93.2Very high83 Ų8347 Ų4731%0.31322%0.221SC..THydrogen-bonded Turntrans-54.1-25.9-179.6-57.8179.766.688.17.3114.8V628 V632 S636 M637 E638 D651V628-R634 HydrophobicContact CG2-CB 4.35Å; V628-R634 HydrophobicContact CG2-CG 4.13Å; V632-R634 PolarHBondContact O-N 3.41Å; R634-S636 PolarHBondContact O-N 3.16Å; R634-S636 VanDerWaalsContact O-N 3.08Å; R634-M637 PolarHBondContact O-N 3.02Å; R634-E638 HydrophobicContact CB-CG 4.34Å; R634-E638 IonicContact NE-OE1 3.32Å; R634-E638 PolarHBondContact NE-OE1 3.44Å; R634-E638 WeakPolarHBondContact O-CB 3.31Å; R634-E638 WeakPolarHBondContact O-CG 3.13Å; R634-E638 PolarHBondContact O-N 3.44Å; R634-D651 IonicContact CZ-OD1 3.46Å; R634-D651 IonicContact NH1-OD1 3.45Å; R634-D651 PolarHBondContact NH1-OD1 3.38Å; R634-D651 IonicContact NH1-OD2 3.26Å; R634-D651 PolarHBondContact NH1-OD2 2.89Å; R634-D651 IonicContact NH2-OD1 2.72Å
635R93.9Very high93.3Very high179 Ų17953 Ų5368%0.67525%0.252SS*.Hα-helixtrans-56.3-31.3-171.7-71.1177.2-69.8159.3-2.7112.8D633 R639D633-R635 VanDerWaalsContact CG-NE 3.27Å; D633-R635 PolarHBondContact O-N 3.21Å; D633-R635 WeakPolarHBondContact OD1-CB 3.38Å; D633-R635 WeakPolarHBondContact OD1-CG 3.43Å; D633-R635 IonicContact OD1-CZ 3.04Å; D633-R635 PolarHBondContact OD1-N 3.15Å; D633-R635 IonicContact OD1-NE 3.65Å; D633-R635 PolarHBondContact OD1-NE 3.16Å; D633-R635 IonicContact OD1-NH2 2.71Å; D633-R635 IonicContact OD2-CZ 2.82Å; D633-R635 IonicContact OD2-NE 3.65Å; D633-R635 PolarHBondContact OD2-NE 3.45Å; D633-R635 IonicContact OD2-NH2 2.74Å; D633-R635 PolarHBondContact OD2-NH2 3.28Å; R635-R639 WeakPolarHBondContact O-CB 3.3Å; R635-R639 PolarHBondContact O-N 3.27Å
636S94Very high93.2Very high22 Ų2254.8 Ų54.815%0.15426%0.261CS..Hα-helixtrans-68.3-48.2175-66.20000112.1M611 R634 R639 L640M611-S636 WeakPolarHBondContact CE-O 3.35Å; R634-S636 PolarHBondContact O-N 3.16Å; R634-S636 VanDerWaalsContact O-N 3.08Å; S636-R639 WeakPolarHBondContact O-CB 3.26Å; S636-R639 PolarHBondContact O-N 2.84Å; S636-L640 PolarHBondContact O-N 3.22Å
637M96.3Very high93.2Very high0 Ų058.1 Ų58.10%028%0.283CS..Hα-helixtrans-69.9-35.1177.9-169.95167.600112.1V577 T578 I597 L626 F627 V628 R634 R639 L640 S641 I648V577-M637 HydrophobicContact CG1-CE 4.48Å; T578-M637 WeakPolarHBondContact O-CE 3.5Å; I597-M637 HydrophobicContact CD1-CE 3.73Å; I597-M637 HydrophobicContact CG1-CE 4.09Å; L626-M637 HydrophobicContact CB-SD 3.8Å; L626-M637 HydrophobicContact CD1-SD 3.93Å; L626-M637 HydrophobicContact CG-SD 4.36Å; F627-M637 WeakPolarHBondContact O-CE 3.44Å; F627-M637 WeakPolarHBondContact O-CG 3.44Å; V628-M637 HydrophobicContact CB-CB 4.16Å; V628-M637 HydrophobicContact CB-CG 4.02Å; V628-M637 HydrophobicContact CG2-CB 3.88Å; V628-M637 HydrophobicContact CG2-CG 4.31Å; R634-M637 PolarHBondContact O-N 3.02Å; M637-R639 VanDerWaalsContact C-N 3.25Å; M637-R639 PolarHBondContact O-N 3.4Å; M637-L640 HydrophobicContact CE-CD2 4.11Å; M637-L640 PolarHBondContact O-N 3.39Å; M637-L640 HydrophobicContact SD-CB 4.17Å; M637-L640 HydrophobicContact SD-CD2 3.81Å; M637-L640 HydrophobicContact SD-CG 4.35Å; M637-S641 VanDerWaalsContact O-CB 3.31Å; M637-S641 WeakPolarHBondContact O-CB 3.31Å; M637-S641 PolarHBondContact O-N 3.38Å; M637-I648 HydrophobicContact CB-CD1 4.18Å; M637-I648 HydrophobicContact CG-CD1 3.75Å; M637-I648 HydrophobicContact CG-CG1 3.99Å
638E97Very high93.2Very high67 Ų6759.9 Ų59.931%0.31329%0.292SS..Hα-helixtrans-69.6-20.4172.8-71.8-179.4-163.100113.7R634 K642 I648R634-E638 HydrophobicContact CB-CG 4.34Å; R634-E638 IonicContact NE-OE1 3.32Å; R634-E638 PolarHBondContact NE-OE1 3.44Å; R634-E638 WeakPolarHBondContact O-CB 3.31Å; R634-E638 WeakPolarHBondContact O-CG 3.13Å; R634-E638 PolarHBondContact O-N 3.44Å; E638-K642 WeakPolarHBondContact O-CD 3.3Å; E638-K642 WeakPolarHBondContact O-CE 3.35Å; E638-K642 VanDerWaalsContact O-CG 3.3Å; E638-K642 WeakPolarHBondContact O-CG 3.25Å; E638-K642 PolarHBondContact O-NZ 2.96Å; E638-K642 VanDerWaalsContact O-NZ 3.16Å; E638-I648 HydrophobicContact CB-CD1 4.46Å; E638-I648 HydrophobicContact CG-CD1 3.69Å
639R95.9Very high93.3Very high124 Ų12463.3 Ų63.347%0.46831%0.305SS..Hα-helixtrans-79.3-44.7168.2177.5179.4175.1-158.6-2.7110.6M611 R635 S636 M637 K642 E643M611-R639 HydrophobicContact CE-CB 4.45Å; M611-R639 HydrophobicContact CE-CG 4.42Å; M611-R639 HydrophobicContact SD-CG 4.27Å; R635-R639 WeakPolarHBondContact O-CB 3.3Å; R635-R639 PolarHBondContact O-N 3.27Å; S636-R639 WeakPolarHBondContact O-CB 3.26Å; S636-R639 PolarHBondContact O-N 2.84Å; M637-R639 VanDerWaalsContact C-N 3.25Å; M637-R639 PolarHBondContact O-N 3.4Å; R639-K642 PolarHBondContact O-N 3.39Å; R639-E643 PolarHBondContact O-N 2.8Å; R639-E643 VanDerWaalsContact O-N 3.12Å
640L96.7Very high93.5Very high0 Ų063.9 Ų63.90%031%0.309CS..Hα-helixtrans-57.6-51.6176.2179.455.5000110.8V577 I597 M611 I614 V615 L626 S636 M637 K642 E643 V644V577-L640 HydrophobicContact CG1-CD2 4.01Å; I597-L640 HydrophobicContact CD1-CD2 4.33Å; I597-L640 HydrophobicContact CG1-CD2 4.21Å; M611-L640 HydrophobicContact CE-CB 4.48Å; M611-L640 HydrophobicContact SD-CB 4.01Å; M611-L640 HydrophobicContact SD-CD1 4.26Å; I614-L640 HydrophobicContact CB-CD2 4.49Å; I614-L640 HydrophobicContact CG1-CD2 3.66Å; I614-L640 HydrophobicContact CG2-CD1 3.95Å; I614-L640 HydrophobicContact CG2-CD2 3.98Å; V615-L640 HydrophobicContact CB-CD1 4.48Å; V615-L640 HydrophobicContact CG2-CD1 3.48Å; V615-L640 VanDerWaalsContact CG2-CD1 3.48Å; L626-L640 HydrophobicContact CD1-CD2 4.45Å; L626-L640 HydrophobicContact CD1-CG 4.08Å; S636-L640 PolarHBondContact O-N 3.22Å; M637-L640 HydrophobicContact CE-CD2 4.11Å; M637-L640 PolarHBondContact O-N 3.39Å; M637-L640 HydrophobicContact SD-CB 4.17Å; M637-L640 HydrophobicContact SD-CD2 3.81Å; M637-L640 HydrophobicContact SD-CG 4.35Å; L640-K642 VanDerWaalsContact C-N 3.28Å; L640-K642 PolarHBondContact O-N 3.06Å; L640-E643 PolarHBondContact O-N 3.48Å; L640-V644 HydrophobicContact CD1-CG1 3.77Å; L640-V644 HydrophobicContact CD1-CG2 4.46Å; L640-V644 WeakPolarHBondContact O-CG2 3.13Å; L640-V644 PolarHBondContact O-N 3.21Å
641S97.1Very high93.9Very high24 Ų2464.1 Ų64.117%0.16831%0.309CS..Hα-helixtrans-47.2-45.2175.7173.50000113.5M637 D645 L646M637-S641 VanDerWaalsContact O-CB 3.31Å; M637-S641 WeakPolarHBondContact O-CB 3.31Å; M637-S641 PolarHBondContact O-N 3.38Å; S641-D645 WeakPolarHBondContact O-CA 3.15Å; S641-D645 PolarHBondContact O-N 3.36Å; S641-L646 WeakPolarHBondContact CA-O 3.37Å; S641-L646 WeakPolarHBondContact CB-O 3.37Å; S641-L646 PolarHBondContact O-N 3.3Å; S641-L646 PolarHBondContact OG-O 2.92Å
642K96.1Very high94.7Very high156 Ų15662.3 Ų62.368%0.67830%0.296SS*.Hα-helixtrans-75.7-25.3179.2-67.3165.8-167.5136.50114E638 R639 L640E638-K642 WeakPolarHBondContact O-CD 3.3Å; E638-K642 WeakPolarHBondContact O-CE 3.35Å; E638-K642 VanDerWaalsContact O-CG 3.3Å; E638-K642 WeakPolarHBondContact O-CG 3.25Å; E638-K642 PolarHBondContact O-NZ 2.96Å; E638-K642 VanDerWaalsContact O-NZ 3.16Å; R639-K642 PolarHBondContact O-N 3.39Å; L640-K642 VanDerWaalsContact C-N 3.28Å; L640-K642 PolarHBondContact O-N 3.06Å
643E95.3Very high95.1Very high100 Ų10062.3 Ų62.347%0.46730%0.295SS..Hα-helixtrans-82.7-29.6178.6-178.164.7-14000111.7V615 R619 R639 L640V615-E643 HydrophobicContact CB-CG 4.47Å; V615-E643 HydrophobicContact CG1-CG 3.99Å; V615-E643 HydrophobicContact CG2-CB 4.23Å; V615-E643 HydrophobicContact CG2-CG 3.57Å; R619-E643 IonicContact CZ-OE1 3.57Å; R619-E643 IonicContact NH1-OE1 3.61Å; R619-E643 PolarHBondContact NH2-O 3.27Å; R619-E643 IonicContact NH2-OE1 2.7Å; R619-E643 PolarHBondContact NH2-OE1 3.27Å; R639-E643 PolarHBondContact O-N 2.8Å; R639-E643 VanDerWaalsContact O-N 3.12Å; L640-E643 PolarHBondContact O-N 3.48Å
644V96.4Very high95.2Very high22 Ų2259.2 Ų59.213%0.13328%0.278CS..Hα-helixtrans-107.6-2.7-178.5-54.20000114.5V615 V618 R619 L626 L640 L646V615-V644 HydrophobicContact CB-CG1 4.39Å; V615-V644 HydrophobicContact CG1-CG1 4.22Å; V615-V644 HydrophobicContact CG2-CG1 4.08Å; V618-V644 HydrophobicContact CB-CG1 4.22Å; V618-V644 HydrophobicContact CG1-CB 3.89Å; V618-V644 HydrophobicContact CG1-CG1 3.94Å; V618-V644 HydrophobicContact CG1-CG2 3.85Å; R619-V644 HydrophobicContact CG-CG1 4.35Å; L626-V644 HydrophobicContact CD1-CG2 4.1Å; L640-V644 HydrophobicContact CD1-CG1 3.77Å; L640-V644 HydrophobicContact CD1-CG2 4.46Å; L640-V644 WeakPolarHBondContact O-CG2 3.13Å; L640-V644 PolarHBondContact O-N 3.21Å; V644-L646 VanDerWaalsContact C-N 3.33Å; V644-L646 HydrophobicContact CG2-CB 3.89Å; V644-L646 HydrophobicContact CG2-CD1 3.99Å; V644-L646 HydrophobicContact CG2-CG 3.94Å; V644-L646 PolarHBondContact O-N 3.5Å
645D95.7Very high94.7Very high151 Ų15155.4 Ų55.481%0.80726%0.264SS*.THydrogen-bonded Turntrans56.239.9-177.4-154.929.2000114.1S641S641-D645 WeakPolarHBondContact O-CA 3.15Å; S641-D645 PolarHBondContact O-N 3.36Å
646L96.3Very high94.1Very high37 Ų3747.2 Ų47.219%0.19423%0.234CC..  trans-116.4142.6175.4-66.7176.5000111.7V618 V623 L626 S641 V644V618-L646 HydrophobicContact CG1-CD1 3.61Å; V623-L646 HydrophobicContact CG1-CD1 3.8Å; V623-L646 VanDerWaalsContact O-CD1 3.28Å; V623-L646 WeakPolarHBondContact O-CD1 3.39Å; L626-L646 HydrophobicContact CD1-CB 4.15Å; L626-L646 HydrophobicContact CD2-CB 4.45Å; L626-L646 HydrophobicContact CD2-CD1 4.14Å; L626-L646 HydrophobicContact CG-CB 3.95Å; S641-L646 WeakPolarHBondContact CA-O 3.37Å; S641-L646 WeakPolarHBondContact CB-O 3.37Å; S641-L646 PolarHBondContact O-N 3.3Å; S641-L646 PolarHBondContact OG-O 2.92Å; V644-L646 VanDerWaalsContact C-N 3.33Å; V644-L646 HydrophobicContact CG2-CB 3.89Å; V644-L646 HydrophobicContact CG2-CD1 3.99Å; V644-L646 HydrophobicContact CG2-CG 3.94Å; V644-L646 PolarHBondContact O-N 3.5Å
647P96.5Very high93.6Very high71 Ų7146.9 Ų46.946%0.46123%0.23SC..  trans-73.1147.2178.131.5-35.3000111.7L626 Y649L626-P647 PolarHBondContact N-O 2.86Å; P647-Y649 PolarHBondContact O-N 3.32Å
648I97.3Very high92.8Very high37 Ų3747.7 Ų47.719%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-79.1112159.3-53.5176.6000106.6L626 V628 M637 E638L626-I648 HydrophobicContact CB-CG1 4.49Å; L626-I648 CarbonylContact O-C 3.59Å; L626-I648 WeakPolarHBondContact O-CA 3.43Å; V628-I648 HydrophobicContact CB-CG2 4.15Å; V628-I648 HydrophobicContact CG1-CG2 3.73Å; M637-I648 HydrophobicContact CB-CD1 4.18Å; M637-I648 HydrophobicContact CG-CD1 3.75Å; M637-I648 HydrophobicContact CG-CG1 3.99Å; E638-I648 HydrophobicContact CB-CD1 4.46Å; E638-I648 HydrophobicContact CG-CD1 3.69Å
649Y97Very high91.9Very high72 Ų7252 Ų5228%0.28226%0.255SS..EExtended strand (participates in β ladder)trans-78.1-44.3-172.2-179.2-103.8000113L626 F627 P647 K677 E680 G681L626-Y649 PolarHBondContact O-N 3.49Å; F627-Y649 HydrophobicContact CE1-CD1 4.02Å; P647-Y649 PolarHBondContact O-N 3.32Å; Y649-K677 HydrophobicContact CE1-CD 4.3Å; Y649-E680 HydrophobicContact CE1-CB 3.61Å; Y649-E680 WeakPolarHBondContact OH-CB 3.31Å; Y649-E680 PolarHBondContact OH-OE2 3.25Å; Y649-G681 VanDerWaalsContact CD1-CA 3.44Å
650S96.2Very high91Very high15 Ų1552.6 Ų52.611%0.10526%0.261CS..EExtended strand (participates in β ladder)trans-156.8156.6-178.7-168.20000111.7V628V628-S650 PolarHBondContact N-O 3.21Å
651D94.1Very high90.1Very high64 Ų6455.3 Ų55.334%0.34229%0.288SS..EExtended strand (participates in β ladder)trans-78.2139.5166.4-61.514.1000108.6V628 T630 R634 W673V628-D651 CarbonylContact O-C 3.52Å; V628-D651 VanDerWaalsContact O-CA 3.25Å; V628-D651 WeakPolarHBondContact O-CA 3.46Å; T630-D651 HydrophobicContact CG2-CB 4.13Å; R634-D651 IonicContact CZ-OD1 3.46Å; R634-D651 IonicContact NH1-OD1 3.45Å; R634-D651 PolarHBondContact NH1-OD1 3.38Å; R634-D651 IonicContact NH1-OD2 3.26Å; R634-D651 PolarHBondContact NH1-OD2 2.89Å; R634-D651 IonicContact NH2-OD1 2.72Å; D651-W673 PolarHBondContact O-NE1 3.26Å
652L94.9Very high89.5Confident0 Ų060.4 Ų60.40%031%0.307CS..EExtended strand (participates in β ladder)trans-120.9151.5179.4-59.7-179.9000110.3T578 F583 F627 V628 E629 T630 N674 K677 I678T578-L652 HydrophobicContact CG2-CD1 4.24Å; F583-L652 HydrophobicContact CE1-CD1 4.11Å; F583-L652 HydrophobicContact CE2-CD1 4.21Å; F583-L652 HydrophobicContact CZ-CB 3.95Å; F583-L652 HydrophobicContact CZ-CD1 3.73Å; F583-L652 HydrophobicContact CZ-CG 4.5Å; F627-L652 HydrophobicContact CB-CD1 3.47Å; F627-L652 VanDerWaalsContact CB-CD1 3.47Å; F627-L652 HydrophobicContact CB-CG 3.96Å; F627-L652 HydrophobicContact CD1-CD1 3.93Å; F627-L652 HydrophobicContact CD1-CD2 4.09Å; F627-L652 HydrophobicContact CD1-CG 4.05Å; F627-L652 HydrophobicContact CG-CD1 3.83Å; F627-L652 HydrophobicContact CG-CG 4.35Å; V628-L652 PolarHBondContact O-N 3.12Å; E629-L652 CarbonylContact C-O 3.36Å; E629-L652 VanDerWaalsContact CA-O 3.28Å; E629-L652 WeakPolarHBondContact CA-O 3.39Å; T630-L652 PolarHBondContact N-O 2.91Å; T630-L652 PolarHBondContact OG1-O 3.41Å; L652-N674 HydrophobicContact CD2-CB 4.46Å; L652-K677 HydrophobicContact CD2-CB 4.15Å; L652-I678 HydrophobicContact CD1-CD1 3.9Å; L652-I678 HydrophobicContact CD1-CG1 3.83Å; L652-I678 HydrophobicContact CD2-CD1 4.33Å; L652-I678 HydrophobicContact CD2-CG1 3.93Å
653F92Very high88.9Confident19 Ų1956.7 Ų56.78%0.08330%0.299CS..  trans-96.5124.9177.2-61.7-78.9000110.8T630 S656 A658 P663 M670 W673 N674T630-F653 HydrophobicContact CG2-CD1 3.88Å; T630-F653 HydrophobicContact CG2-CE1 3.82Å; T630-F653 HydrophobicContact CG2-CZ 4.46Å; T630-F653 WeakPolarHBondContact OG1-CD1 3.38Å; F653-S656 WeakPolarHBondContact CD1-O 3.43Å; F653-A658 HydrophobicContact CE1-CB 3.68Å; F653-A658 HydrophobicContact CZ-CB 3.83Å; F653-P663 WeakPolarHBondContact CZ-O 3.44Å; F653-M670 HydrophobicContact CB-CG 3.3Å; F653-M670 HydrophobicContact CB-SD 4.05Å; F653-M670 HydrophobicContact CD2-CG 4.16Å; F653-M670 HydrophobicContact CG-CG 3.9Å; F653-W673 HydrophobicContact CD2-CB 4.36Å; F653-W673 AromaticContact CD2-CD1 3.58Å; F653-W673 HydrophobicContact CD2-CG 4.09Å; F653-W673 HydrophobicContact CE2-CB 4.25Å; F653-W673 AromaticContact CE2-CD1 3.47Å; F653-W673 VanDerWaalsContact CE2-CD1 3.47Å; F653-W673 HydrophobicContact CE2-CD2 4.26Å; F653-W673 AromaticContact CE2-CG 3.75Å; F653-W673 HydrophobicContact CE2-CG 3.75Å; F653-W673 AromaticContact CE2-NE1 3.82Å; F653-N674 PolarHBondContact N-OD1 2.6Å; F653-N674 PolarHBondContact O-ND2 3.49Å
654T88.2Confident88.4Confident0 Ų051.9 Ų51.90%028%0.277CS..SBendtrans-112.4-68.5166.556.80000110.7R419 W516 L517 A582 F583 E629 S631R419-T654 PolarHBondContact NH1-O 3.09Å; W516-T654 PolarHBondContact NE1-O 3.04Å; L517-T654 HydrophobicContact CD1-CG2 4.27Å; A582-T654 HydrophobicContact CB-CG2 3.69Å; F583-T654 HydrophobicContact CD2-CG2 4.22Å; F583-T654 HydrophobicContact CE2-CG2 3.28Å; F583-T654 HydrophobicContact CZ-CG2 3.55Å; E629-T654 HydrophobicContact CB-CG2 4.29Å; E629-T654 HydrophobicContact CG-CG2 3.64Å; S631-T654 PolarHBondContact OG-OG1 3.1Å
655D82.8Confident87.9Confident4 Ų453.5 Ų53.52%0.02129%0.285CS..SBendtrans-104.1-10.3-161.8-60.5-66.1000116.3R419 P444 W516R419-D655 IonicContact CZ-OD1 2.74Å; R419-D655 IonicContact NH1-OD1 3.81Å; R419-D655 PolarHBondContact NH1-OD1 3.39Å; R419-D655 IonicContact NH2-OD1 3.58Å; R419-D655 PolarHBondContact NH2-OD1 2.93Å; P444-D655 HydrophobicContact CG-CB 4.35Å; W516-D655 WeakPolarHBondContact CH2-OD1 3.36Å; W516-D655 VanDerWaalsContact CZ2-OD1 3.25Å; W516-D655 WeakPolarHBondContact CZ2-OD1 3.35Å
656S80.7Confident87.6Confident6 Ų647.5 Ų47.54%0.04225%0.254CS..  trans-130.5141.7168.5-175.50000110.5G441 F653G441-S656 PolarHBondContact N-OG 3.43Å; F653-S656 WeakPolarHBondContact CD1-O 3.43Å
657L84.2Confident87.5Confident16 Ų1645.7 Ų45.78%0.08425%0.245CC..PPolyproline II helixtrans-65162158.6-61.5177.1000109.9D422 G664 M670D422-L657 HydrophobicContact CB-CD1 3.88Å; L657-G664 CarbonylContact C-O 3.36Å; L657-G664 WeakPolarHBondContact CA-O 3.34Å; L657-G664 WeakPolarHBondContact CB-O 3.24Å; L657-G664 WeakPolarHBondContact CD2-O 3.38Å; L657-M670 HydrophobicContact CD2-CB 3.88Å; L657-M670 HydrophobicContact CD2-CG 4.1Å; L657-M670 HydrophobicContact CD2-SD 3.69Å
658A79.2Confident87.4Confident16 Ų1645.8 Ų45.813%0.13224%0.237CC..PPolyproline II helixtrans-69.2167.1168.900000111.5F653 K660 K662 P663 G664F653-A658 HydrophobicContact CE1-CB 3.68Å; F653-A658 HydrophobicContact CZ-CB 3.83Å; A658-K660 PolarHBondContact O-N 3.04Å; A658-K662 HydrophobicContact CB-CB 3.9Å; A658-P663 VanDerWaalsContact CB-O 3.25Å; A658-P663 WeakPolarHBondContact CB-O 3.43Å; A658-G664 VanDerWaalsContact CB-C 3.47Å; A658-G664 PolarHBondContact N-O 3.5Å
659K78.5Confident87.3Confident158 Ų15845.2 Ų45.269%0.68724%0.236SC*.PPolyproline II helixtrans-65.1135.2170.1-62.8-177.7-179.4-178.40109.5V440 G661 K662V440-K659 HydrophobicContact CG1-CG 4.16Å; K659-G661 PolarHBondContact O-N 3.32Å; K659-K662 WeakPolarHBondContact O-CB 3.28Å; K659-K662 VanDerWaalsContact O-CG 3.24Å; K659-K662 WeakPolarHBondContact O-CG 3.3Å; K659-K662 PolarHBondContact O-N 2.96Å; K659-K662 VanDerWaalsContact O-N 3.11Å
660K77Confident87.1Confident137 Ų13741.9 Ų41.960%0.59622%0.223SC*.THydrogen-bonded Turntrans-37.2128.4178.3-171.5177.9-178.6-179.60112.9E407 A658E407-K660 HydrophobicContact CG-CD 4.4Å; E407-K660 VanDerWaalsContact CG-CE 3.47Å; E407-K660 PolarHBondContact O-NZ 3.38Å; E407-K660 VanDerWaalsContact OE1-CE 3.28Å; E407-K660 WeakPolarHBondContact OE1-CE 3.39Å; E407-K660 IonicContact OE1-NZ 3.18Å; A658-K660 PolarHBondContact O-N 3.04Å
661G77.7Confident87.2Confident56 Ų5641.1 Ų41.158%0.57722%0.218SC*.THydrogen-bonded Turntrans81.121.3-176.500000114.3K659 D665K659-G661 PolarHBondContact O-N 3.32Å; G661-D665 WeakPolarHBondContact CA-OD2 3.38Å; G661-D665 PolarHBondContact N-OD2 3.12Å
662K83.2Confident87.3Confident131 Ų13142.1 Ų42.157%0.5722%0.219SC*.SBendtrans-123.6150.8171.2-60.7-62.4178.8-169.60109.6A658 K659 G664 D665A658-K662 HydrophobicContact CB-CB 3.9Å; K659-K662 WeakPolarHBondContact O-CB 3.28Å; K659-K662 VanDerWaalsContact O-CG 3.24Å; K659-K662 WeakPolarHBondContact O-CG 3.3Å; K659-K662 PolarHBondContact O-N 2.96Å; K659-K662 VanDerWaalsContact O-N 3.11Å; K662-G664 PolarHBondContact O-N 2.83Å; K662-D665 WeakPolarHBondContact O-CB 3.21Å; K662-D665 PolarHBondContact O-N 3.03Å
663P83.1Confident87.4Confident78 Ų7845.8 Ų45.851%0.50623%0.233SC..THydrogen-bonded Turntrans-52.1127.5168.5-22.533.3000110F653 A658 W673F653-P663 WeakPolarHBondContact CZ-O 3.44Å; A658-P663 VanDerWaalsContact CB-O 3.25Å; A658-P663 WeakPolarHBondContact CB-O 3.43Å; P663-W673 HydrophobicContact CB-CD2 4.36Å; P663-W673 HydrophobicContact CB-CE3 3.57Å; P663-W673 HydrophobicContact CB-CZ3 3.85Å; P663-W673 HydrophobicContact CG-CE3 4.42Å; P663-W673 HydrophobicContact CG-CZ3 4.23Å
664G85.7Confident87.6Confident0 Ų044.9 Ų44.90%023%0.229CC..THydrogen-bonded Turntrans99.3-1.7-173.800000115.9L657 A658 K662 S666 S669L657-G664 CarbonylContact C-O 3.36Å; L657-G664 WeakPolarHBondContact CA-O 3.34Å; L657-G664 WeakPolarHBondContact CB-O 3.24Å; L657-G664 WeakPolarHBondContact CD2-O 3.38Å; A658-G664 VanDerWaalsContact CB-C 3.47Å; A658-G664 PolarHBondContact N-O 3.5Å; K662-G664 PolarHBondContact O-N 2.83Å; G664-S666 VanDerWaalsContact C-N 3.28Å; G664-S666 PolarHBondContact O-N 3.09Å; G664-S669 VanDerWaalsContact C-OG 3.29Å; G664-S669 WeakPolarHBondContact CA-OG 3.28Å; G664-S669 PolarHBondContact N-OG 2.83Å; G664-S669 VanDerWaalsContact N-OG 3.08Å
665D85.7Confident88.1Confident56 Ų5645 Ų4530%0.29923%0.23SC..SBendtrans-71.3-9.2-177.962.4-8.8000116.9G661 K662 S669G661-D665 WeakPolarHBondContact CA-OD2 3.38Å; G661-D665 PolarHBondContact N-OD2 3.12Å; K662-D665 WeakPolarHBondContact O-CB 3.21Å; K662-D665 PolarHBondContact O-N 3.03Å; D665-S669 PolarHBondContact N-OG 3.3Å; D665-S669 PolarHBondContact OD1-OG 3.35Å
666S90.3Very high88.8Confident24 Ų2446.3 Ų46.317%0.16824%0.237CC..SBendtrans-135156.7174.851.50000108.9D422 G664 Y668 S669 M670D422-S666 VanDerWaalsContact CG-CA 3.48Å; D422-S666 VanDerWaalsContact CG-CB 3.5Å; D422-S666 WeakPolarHBondContact OD1-CA 3.12Å; D422-S666 WeakPolarHBondContact OD1-CB 3.17Å; D422-S666 WeakPolarHBondContact OD2-CB 3.1Å; G664-S666 VanDerWaalsContact C-N 3.28Å; G664-S666 PolarHBondContact O-N 3.09Å; S666-Y668 PolarHBondContact O-N 3.25Å; S666-S669 PolarHBondContact N-OG 2.95Å; S666-S669 VanDerWaalsContact N-OG 3.09Å; S666-S669 PolarHBondContact O-N 3.23Å; S666-S669 VanDerWaalsContact O-N 3.07Å; S666-S669 PolarHBondContact O-OG 2.45Å; S666-S669 VanDerWaalsContact OG-CB 3.28Å; S666-S669 WeakPolarHBondContact OG-CB 3.46Å; S666-S669 PolarHBondContact OG-N 2.82Å; S666-S669 PolarHBondContact OG-OG 3.32Å; S666-M670 WeakPolarHBondContact O-CB 3.49Å; S666-M670 PolarHBondContact O-N 1.98Å
667Y93.2Very high89.6Confident0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-57.4-36.5177.3171.7-101.4000111.4D422 M423 W516 L555 M670 M671D422-Y667 VanDerWaalsContact CG-N 3.3Å; D422-Y667 WeakPolarHBondContact OD2-CB 2.94Å; D422-Y667 PolarHBondContact OD2-N 2.89Å; M423-Y667 HydrophobicContact CE-CD1 3.57Å; M423-Y667 HydrophobicContact CE-CD2 3.59Å; M423-Y667 HydrophobicContact CE-CE1 3.52Å; M423-Y667 HydrophobicContact CE-CE2 3.54Å; M423-Y667 HydrophobicContact CE-CG 3.61Å; M423-Y667 HydrophobicContact CG-CD1 4.24Å; M423-Y667 HydrophobicContact CG-CG 4.27Å; W516-Y667 HydrophobicContact CB-CE2 4.18Å; W516-Y667 VanDerWaalsContact O-CE2 3.23Å; W516-Y667 WeakPolarHBondContact O-CE2 3.29Å; W516-Y667 PolarHBondContact O-OH 3.04Å; L555-Y667 HydrophobicContact CD1-CE1 4.3Å; L555-Y667 HydrophobicContact CD2-CD1 4.06Å; L555-Y667 HydrophobicContact CD2-CE1 3.73Å; Y667-M670 HydrophobicContact CD2-CE 3.68Å; Y667-M670 HydrophobicContact CE2-CE 3.91Å; Y667-M671 HydrophobicContact CD1-CG 4.48Å; Y667-M671 HydrophobicContact CD2-CG 3.98Å; Y667-M671 HydrophobicContact CE1-CG 4.02Å; Y667-M671 HydrophobicContact CE2-CG 3.45Å; Y667-M671 VanDerWaalsContact CE2-CG 3.45Å; Y667-M671 HydrophobicContact CE2-SD 3.93Å; Y667-M671 HydrophobicContact CG-CG 4.47Å; Y667-M671 VanDerWaalsContact CZ-CG 3.48Å; Y667-M671 WeakPolarHBondContact O-CB 3.49Å; Y667-M671 WeakPolarHBondContact O-CG 3.41Å; Y667-M671 PolarHBondContact O-N 3.34Å
668Y94.7Very high90.2Very high72 Ų7247.1 Ų47.128%0.28224%0.239SC..Hα-helixtrans-65.2-48.1173-175.7-88.4000112.6K554 L555 L558 S666 M670 K672K554-Y668 HydrophobicContact CB-CD2 4.18Å; K554-Y668 HydrophobicContact CB-CE2 3.93Å; L555-Y668 HydrophobicContact CD2-CD2 4.19Å; L558-Y668 HydrophobicContact CB-CE2 3.93Å; L558-Y668 HydrophobicContact CD2-CD2 3.99Å; L558-Y668 HydrophobicContact CD2-CE2 3.75Å; L558-Y668 HydrophobicContact CG-CE2 4.4Å; S666-Y668 PolarHBondContact O-N 3.25Å; Y668-M670 VanDerWaalsContact C-N 3.31Å; Y668-M670 PolarHBondContact O-N 3.22Å; Y668-K672 HydrophobicContact CE1-CD 4.33Å; Y668-K672 VanDerWaalsContact O-CB 3.27Å; Y668-K672 WeakPolarHBondContact O-CB 3.47Å; Y668-K672 PolarHBondContact O-N 3.43Å
669S94.3Very high91.1Very high26 Ų2648.1 Ų48.118%0.18224%0.241CC..Hα-helixtrans-70-30.1-179.977.80000112.3G664 D665 S666 W673G664-S669 VanDerWaalsContact C-OG 3.29Å; G664-S669 WeakPolarHBondContact CA-OG 3.28Å; G664-S669 PolarHBondContact N-OG 2.83Å; G664-S669 VanDerWaalsContact N-OG 3.08Å; D665-S669 PolarHBondContact N-OG 3.3Å; D665-S669 PolarHBondContact OD1-OG 3.35Å; S666-S669 PolarHBondContact N-OG 2.95Å; S666-S669 VanDerWaalsContact N-OG 3.09Å; S666-S669 PolarHBondContact O-N 3.23Å; S666-S669 VanDerWaalsContact O-N 3.07Å; S666-S669 PolarHBondContact O-OG 2.45Å; S666-S669 VanDerWaalsContact OG-CB 3.28Å; S666-S669 WeakPolarHBondContact OG-CB 3.46Å; S666-S669 PolarHBondContact OG-N 2.82Å; S666-S669 PolarHBondContact OG-OG 3.32Å; S669-W673 VanDerWaalsContact O-CB 3.25Å; S669-W673 WeakPolarHBondContact O-CB 3.4Å; S669-W673 PolarHBondContact O-N 2.88Å
670M94.4Very high92Very high1 Ų143.9 Ų43.91%0.00522%0.223CC..Hα-helixtrans-65.3-56173-172.9-157.178.600111.8L517 F653 L657 S666 Y667 Y668 K672 W673 N674L517-M670 HydrophobicContact CD2-CE 4.13Å; F653-M670 HydrophobicContact CB-CG 3.3Å; F653-M670 HydrophobicContact CB-SD 4.05Å; F653-M670 HydrophobicContact CD2-CG 4.16Å; F653-M670 HydrophobicContact CG-CG 3.9Å; L657-M670 HydrophobicContact CD2-CB 3.88Å; L657-M670 HydrophobicContact CD2-CG 4.1Å; L657-M670 HydrophobicContact CD2-SD 3.69Å; S666-M670 WeakPolarHBondContact O-CB 3.49Å; S666-M670 PolarHBondContact O-N 1.98Å; Y667-M670 HydrophobicContact CD2-CE 3.68Å; Y667-M670 HydrophobicContact CE2-CE 3.91Å; Y668-M670 VanDerWaalsContact C-N 3.31Å; Y668-M670 PolarHBondContact O-N 3.22Å; M670-K672 VanDerWaalsContact C-N 3.34Å; M670-K672 PolarHBondContact O-N 3.16Å; M670-W673 PolarHBondContact O-N 3.47Å; M670-N674 PolarHBondContact O-N 3.3Å
671M96.6Very high92.9Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-62-43.1178.1-73-52.2-66.500111.2L517 I519 L558 F586 Y667 W673 N674 L675L517-M671 HydrophobicContact CD2-SD 3.98Å; L517-M671 WeakPolarHBondContact O-CE 3.49Å; I519-M671 HydrophobicContact CD1-CB 4.22Å; I519-M671 HydrophobicContact CD1-CE 4.36Å; I519-M671 HydrophobicContact CG1-CB 4.39Å; I519-M671 HydrophobicContact CG1-CE 3.77Å; I519-M671 HydrophobicContact CG1-CG 4.28Å; L558-M671 HydrophobicContact CD2-CB 4.25Å; F586-M671 HydrophobicContact CD2-CE 4.26Å; F586-M671 HydrophobicContact CE2-CE 4.5Å; Y667-M671 HydrophobicContact CD1-CG 4.48Å; Y667-M671 HydrophobicContact CD2-CG 3.98Å; Y667-M671 HydrophobicContact CE1-CG 4.02Å; Y667-M671 HydrophobicContact CE2-CG 3.45Å; Y667-M671 VanDerWaalsContact CE2-CG 3.45Å; Y667-M671 HydrophobicContact CE2-SD 3.93Å; Y667-M671 HydrophobicContact CG-CG 4.47Å; Y667-M671 VanDerWaalsContact CZ-CG 3.48Å; Y667-M671 WeakPolarHBondContact O-CB 3.49Å; Y667-M671 WeakPolarHBondContact O-CG 3.41Å; Y667-M671 PolarHBondContact O-N 3.34Å; M671-W673 VanDerWaalsContact C-N 3.35Å; M671-W673 PolarHBondContact O-N 3.46Å; M671-N674 PolarHBondContact O-N 3.14Å; M671-L675 VanDerWaalsContact O-CB 3.28Å; M671-L675 WeakPolarHBondContact O-CB 3.48Å; M671-L675 WeakPolarHBondContact O-CD1 3.26Å; M671-L675 WeakPolarHBondContact O-CG 3.37Å; M671-L675 PolarHBondContact O-N 3.08Å
672K96.8Very high93.8Very high85 Ų8534.7 Ų34.737%0.3717%0.167SC..Hα-helixtrans-61.5-41.9176.4-173-178.5-176.7-57.40112.1L558 Y668 M670 D676L558-K672 HydrophobicContact CD1-CB 4.04Å; L558-K672 HydrophobicContact CD1-CG 3.98Å; L558-K672 HydrophobicContact CD2-CB 4.05Å; Y668-K672 HydrophobicContact CE1-CD 4.33Å; Y668-K672 VanDerWaalsContact O-CB 3.27Å; Y668-K672 WeakPolarHBondContact O-CB 3.47Å; Y668-K672 PolarHBondContact O-N 3.43Å; M670-K672 VanDerWaalsContact C-N 3.34Å; M670-K672 PolarHBondContact O-N 3.16Å; K672-D676 IonicContact NZ-OD2 2.67Å; K672-D676 PolarHBondContact NZ-OD2 2.72Å; K672-D676 WeakPolarHBondContact O-CB 3.15Å; K672-D676 PolarHBondContact O-N 3.4Å
673W96.8Very high94.4Very high76 Ų7632.3 Ų32.329%0.28816%0.159SC..Hα-helixtrans-60.6-51.8175.6176.5-88000111.4D651 F653 P663 S669 M670 M671 L675 D676 K677D651-W673 PolarHBondContact O-NE1 3.26Å; F653-W673 HydrophobicContact CD2-CB 4.36Å; F653-W673 AromaticContact CD2-CD1 3.58Å; F653-W673 HydrophobicContact CD2-CG 4.09Å; F653-W673 HydrophobicContact CE2-CB 4.25Å; F653-W673 AromaticContact CE2-CD1 3.47Å; F653-W673 VanDerWaalsContact CE2-CD1 3.47Å; F653-W673 HydrophobicContact CE2-CD2 4.26Å; F653-W673 AromaticContact CE2-CG 3.75Å; F653-W673 HydrophobicContact CE2-CG 3.75Å; F653-W673 AromaticContact CE2-NE1 3.82Å; P663-W673 HydrophobicContact CB-CD2 4.36Å; P663-W673 HydrophobicContact CB-CE3 3.57Å; P663-W673 HydrophobicContact CB-CZ3 3.85Å; P663-W673 HydrophobicContact CG-CE3 4.42Å; P663-W673 HydrophobicContact CG-CZ3 4.23Å; S669-W673 VanDerWaalsContact O-CB 3.25Å; S669-W673 WeakPolarHBondContact O-CB 3.4Å; S669-W673 PolarHBondContact O-N 2.88Å; M670-W673 PolarHBondContact O-N 3.47Å; M671-W673 VanDerWaalsContact C-N 3.35Å; M671-W673 PolarHBondContact O-N 3.46Å; W673-L675 VanDerWaalsContact C-N 3.34Å; W673-L675 PolarHBondContact O-N 3.23Å; W673-D676 PolarHBondContact O-N 3.47Å; W673-K677 HydrophobicContact CD2-CG 4.09Å; W673-K677 HydrophobicContact CG-CG 4.4Å; W673-K677 HydrophobicContact CZ2-CG 4.12Å; W673-K677 WeakPolarHBondContact O-CB 3.33Å; W673-K677 WeakPolarHBondContact O-CG 3.25Å; W673-K677 PolarHBondContact O-N 2.63Å
674N97.4Very high94.7Very high0 Ų035.3 Ų35.30%017%0.165CC..Hα-helixtrans-58.6-46.6179.5-71-5000111.5L652 F653 M670 M671 K677 I678L652-N674 HydrophobicContact CD2-CB 4.46Å; F653-N674 PolarHBondContact N-OD1 2.6Å; F653-N674 PolarHBondContact O-ND2 3.49Å; M670-N674 PolarHBondContact O-N 3.3Å; M671-N674 PolarHBondContact O-N 3.14Å; N674-K677 PolarHBondContact O-N 2.88Å; N674-I678 HydrophobicContact CB-CD1 4.39Å; N674-I678 VanDerWaalsContact O-CB 3.31Å; N674-I678 WeakPolarHBondContact O-CB 3.46Å; N674-I678 WeakPolarHBondContact O-CD1 3.29Å; N674-I678 VanDerWaalsContact O-CG1 3.22Å; N674-I678 WeakPolarHBondContact O-CG1 3.28Å; N674-I678 PolarHBondContact O-N 2.88Å
675L98Very high95.1Very high3 Ų337.1 Ų37.12%0.01617%0.173CC..Hα-helixtrans-58.5-52.5178.1-77.5167.6000112.7I519 L558 A562 F566 F586 Y590 M671 W673 K677 H679I519-L675 HydrophobicContact CD1-CD1 3.79Å; L558-L675 HydrophobicContact CD1-CD1 3.94Å; L558-L675 HydrophobicContact CD2-CD1 4.22Å; L558-L675 HydrophobicContact CG-CD1 3.85Å; A562-L675 HydrophobicContact CB-CD1 3.78Å; A562-L675 HydrophobicContact CB-CD2 3.5Å; A562-L675 HydrophobicContact CB-CG 4.2Å; F566-L675 HydrophobicContact CE2-CB 4.5Å; F566-L675 HydrophobicContact CE2-CD2 3.83Å; F566-L675 WeakPolarHBondContact CE2-O 3.45Å; F566-L675 HydrophobicContact CZ-CD2 3.95Å; F566-L675 WeakPolarHBondContact CZ-O 3.42Å; F586-L675 HydrophobicContact CE2-CD2 3.72Å; F586-L675 HydrophobicContact CE2-CG 4.18Å; F586-L675 HydrophobicContact CZ-CD2 3.82Å; Y590-L675 HydrophobicContact CD1-CD2 4.34Å; Y590-L675 HydrophobicContact CD2-CD2 4Å; Y590-L675 HydrophobicContact CE1-CD2 4.2Å; Y590-L675 HydrophobicContact CE2-CD2 3.84Å; Y590-L675 HydrophobicContact CG-CD2 4.3Å; M671-L675 VanDerWaalsContact O-CB 3.28Å; M671-L675 WeakPolarHBondContact O-CB 3.48Å; M671-L675 WeakPolarHBondContact O-CD1 3.26Å; M671-L675 WeakPolarHBondContact O-CG 3.37Å; M671-L675 PolarHBondContact O-N 3.08Å; W673-L675 VanDerWaalsContact C-N 3.34Å; W673-L675 PolarHBondContact O-N 3.23Å; L675-K677 PolarHBondContact O-N 3.06Å; L675-H679 WeakPolarHBondContact O-CB 3.42Å; L675-H679 PolarHBondContact O-N 3.46Å
676D97.2Very high95.6Very high31 Ų3136.1 Ų36.117%0.16617%0.166CC..Hα-helixtrans-64.9-39.9179.7-74.6-33.3000111.2K565 K672 W673 E680K565-D676 IonicContact NZ-OD1 2.7Å; K565-D676 PolarHBondContact NZ-OD1 3.01Å; K672-D676 IonicContact NZ-OD2 2.67Å; K672-D676 PolarHBondContact NZ-OD2 2.72Å; K672-D676 WeakPolarHBondContact O-CB 3.15Å; K672-D676 PolarHBondContact O-N 3.4Å; W673-D676 PolarHBondContact O-N 3.47Å; D676-E680 VanDerWaalsContact O-CB 3.26Å; D676-E680 WeakPolarHBondContact O-CB 3.35Å; D676-E680 WeakPolarHBondContact O-CG 3.34Å; D676-E680 PolarHBondContact O-N 3.39Å
677K97.6Very high95.9Very high40 Ų4036.8 Ų36.817%0.17417%0.166CC..Hα-helixtrans-75.5-37.5-177.6-65.4-50.6179.3-155.40114.6F627 Y649 L652 W673 N674 L675 E680 G681F627-K677 WeakPolarHBondContact CE1-O 3.24Å; Y649-K677 HydrophobicContact CE1-CD 4.3Å; L652-K677 HydrophobicContact CD2-CB 4.15Å; W673-K677 HydrophobicContact CD2-CG 4.09Å; W673-K677 HydrophobicContact CG-CG 4.4Å; W673-K677 HydrophobicContact CZ2-CG 4.12Å; W673-K677 WeakPolarHBondContact O-CB 3.33Å; W673-K677 WeakPolarHBondContact O-CG 3.25Å; W673-K677 PolarHBondContact O-N 2.63Å; N674-K677 PolarHBondContact O-N 2.88Å; L675-K677 PolarHBondContact O-N 3.06Å; K677-E680 WeakPolarHBondContact CD-OE2 3.42Å; K677-E680 IonicContact NZ-OE1 3.45Å; K677-E680 PolarHBondContact NZ-OE1 2.93Å; K677-E680 IonicContact NZ-OE2 2.77Å; K677-E680 PolarHBondContact NZ-OE2 3.33Å; K677-G681 PolarHBondContact O-N 3.48Å
678I97.9Very high96.1Very high0 Ų038.9 Ų38.90%018%0.176CC..Hα-helixtrans-63.8-46.5173.1-68.2163000109.6F566 L576 F583 F586 L592 F627 L652 N674 G681 L682F566-I678 HydrophobicContact CE1-CB 4.35Å; F566-I678 HydrophobicContact CE1-CG2 3.74Å; F566-I678 HydrophobicContact CZ-CB 4.11Å; F566-I678 HydrophobicContact CZ-CG2 4Å; L576-I678 HydrophobicContact CD1-CD1 4.17Å; L576-I678 HydrophobicContact CD1-CG1 3.98Å; L576-I678 HydrophobicContact CD1-CG2 4.06Å; L576-I678 HydrophobicContact CD2-CD1 3.84Å; L576-I678 HydrophobicContact CD2-CG1 4.48Å; L576-I678 HydrophobicContact CD2-CG2 4.37Å; F583-I678 HydrophobicContact CD1-CD1 4.17Å; F583-I678 HydrophobicContact CE1-CD1 4Å; F586-I678 HydrophobicContact CD1-CD1 4.26Å; F586-I678 HydrophobicContact CE1-CD1 3.53Å; F586-I678 HydrophobicContact CE1-CG2 4.17Å; F586-I678 HydrophobicContact CE2-CD1 4Å; F586-I678 HydrophobicContact CZ-CB 4.39Å; F586-I678 HydrophobicContact CZ-CD1 3.37Å; F586-I678 HydrophobicContact CZ-CG1 4.47Å; F586-I678 HydrophobicContact CZ-CG2 4.47Å; L592-I678 HydrophobicContact CD1-CG2 4.04Å; F627-I678 HydrophobicContact CD1-CG1 4.5Å; F627-I678 HydrophobicContact CE1-CG1 4.31Å; L652-I678 HydrophobicContact CD1-CD1 3.9Å; L652-I678 HydrophobicContact CD1-CG1 3.83Å; L652-I678 HydrophobicContact CD2-CD1 4.33Å; L652-I678 HydrophobicContact CD2-CG1 3.93Å; N674-I678 HydrophobicContact CB-CD1 4.39Å; N674-I678 VanDerWaalsContact O-CB 3.31Å; N674-I678 WeakPolarHBondContact O-CB 3.46Å; N674-I678 WeakPolarHBondContact O-CD1 3.29Å; N674-I678 VanDerWaalsContact O-CG1 3.22Å; N674-I678 WeakPolarHBondContact O-CG1 3.28Å; N674-I678 PolarHBondContact O-N 2.88Å; I678-G681 PolarHBondContact O-N 2.98Å; I678-L682 HydrophobicContact CG2-CD1 3.81Å; I678-L682 HydrophobicContact CG2-CG 4.29Å; I678-L682 WeakPolarHBondContact O-CB 3.44Å; I678-L682 WeakPolarHBondContact O-CG 3.36Å; I678-L682 PolarHBondContact O-N 2.96Å
679H97.7Very high96.1Very high36 Ų3636.9 Ų36.917%0.16717%0.169CC..Hα-helixtrans-61.9-50.2175.5174.5-88.8000112.7K565 F566 L675 G681 L682 M683K565-H679 PolarHBondContact O-CD2 2.58Å; K565-H679 PolarHBondContact O-NE2 2.95Å; F566-H679 HydrophobicContact CD2-CB 4.3Å; F566-H679 HydrophobicContact CE2-CB 3.73Å; F566-H679 HydrophobicContact CZ-CB 4.08Å; L675-H679 WeakPolarHBondContact O-CB 3.42Å; L675-H679 PolarHBondContact O-N 3.46Å; H679-G681 PolarHBondContact O-N 3.41Å; H679-L682 PolarHBondContact O-N 3.36Å; H679-M683 VanDerWaalsContact O-CB 3.3Å; H679-M683 WeakPolarHBondContact O-CB 3.46Å; H679-M683 VanDerWaalsContact O-CG 3.22Å; H679-M683 WeakPolarHBondContact O-CG 3.27Å; H679-M683 PolarHBondContact O-N 3.22Å
680E97Very high96.3Very high69 Ų6937.6 Ų37.632%0.32217%0.168SC..Hα-helixtrans-57.2-35.5177.6-80.6175.3-145.500113.4Y649 D676 K677Y649-E680 HydrophobicContact CE1-CB 3.61Å; Y649-E680 WeakPolarHBondContact OH-CB 3.31Å; Y649-E680 PolarHBondContact OH-OE2 3.25Å; D676-E680 VanDerWaalsContact O-CB 3.26Å; D676-E680 WeakPolarHBondContact O-CB 3.35Å; D676-E680 WeakPolarHBondContact O-CG 3.34Å; D676-E680 PolarHBondContact O-N 3.39Å; K677-E680 WeakPolarHBondContact CD-OE2 3.42Å; K677-E680 IonicContact NZ-OE1 3.45Å; K677-E680 PolarHBondContact NZ-OE1 2.93Å; K677-E680 IonicContact NZ-OE2 2.77Å; K677-E680 PolarHBondContact NZ-OE2 3.33Å
681G96.5Very high96.4Very high0 Ų040.2 Ų40.20%018%0.18CC..Hα-helixtrans-78.9-44.1-179.900000113P624 Y649 K677 I678 H679 M683 K684P624-G681 WeakPolarHBondContact CG-O 3.12Å; Y649-G681 VanDerWaalsContact CD1-CA 3.44Å; K677-G681 PolarHBondContact O-N 3.48Å; I678-G681 PolarHBondContact O-N 2.98Å; H679-G681 PolarHBondContact O-N 3.41Å; G681-M683 PolarHBondContact O-N 3.24Å; G681-K684 WeakPolarHBondContact O-CB 3.45Å; G681-K684 WeakPolarHBondContact O-CG 3.37Å; G681-K684 PolarHBondContact O-N 3.26Å
682L96.6Very high96.4Very high0 Ų043.3 Ų43.30%019%0.194CC..Hα-helixtrans-73.1-13.8177.7-62.9-176.7000113.5I569 K573 L575 L592 V623 F627 I678 H679I569-L682 HydrophobicContact CD1-CB 4.37Å; I569-L682 HydrophobicContact CD1-CD1 4.44Å; I569-L682 HydrophobicContact CG2-CB 4.07Å; K573-L682 WeakPolarHBondContact CD-O 3.36Å; L575-L682 WeakPolarHBondContact O-CD2 3.33Å; L592-L682 HydrophobicContact CD1-CD1 3.99Å; L592-L682 HydrophobicContact CD2-CD1 4.06Å; V623-L682 HydrophobicContact CG2-CD2 3.99Å; F627-L682 HydrophobicContact CE2-CD2 4.03Å; F627-L682 HydrophobicContact CE2-CG 4.31Å; F627-L682 HydrophobicContact CZ-CG 4.42Å; I678-L682 HydrophobicContact CG2-CD1 3.81Å; I678-L682 HydrophobicContact CG2-CG 4.29Å; I678-L682 WeakPolarHBondContact O-CB 3.44Å; I678-L682 WeakPolarHBondContact O-CG 3.36Å; I678-L682 PolarHBondContact O-N 2.96Å; H679-L682 PolarHBondContact O-N 3.36Å
683M95Very high96.4Very high82 Ų8239.8 Ų39.840%0.40418%0.179SC..THydrogen-bonded Turntrans-90.56.5172.3-69.4-64.2-81.600114.5D568 I569 H679 G681D568-M683 HydrophobicContact CB-CE 4.43Å; I569-M683 HydrophobicContact CB-SD 4.38Å; I569-M683 HydrophobicContact CG1-CG 4.28Å; I569-M683 HydrophobicContact CG1-SD 4.09Å; H679-M683 VanDerWaalsContact O-CB 3.3Å; H679-M683 WeakPolarHBondContact O-CB 3.46Å; H679-M683 VanDerWaalsContact O-CG 3.22Å; H679-M683 WeakPolarHBondContact O-CG 3.27Å; H679-M683 PolarHBondContact O-N 3.22Å; G681-M683 PolarHBondContact O-N 3.24Å
684K88.6Confident96.3Very high141 Ų14136.5 Ų36.561%0.61317%0.169SC*.  trans-71.90169.2-64.4-57.5-178.7-170.80111.6K573 P624 G681K573-K684 PolarHBondContact NZ-OXT 2.61Å; P624-K684 HydrophobicContact CB-CB 4Å; P624-K684 WeakPolarHBondContact CB-OXT 3.32Å; P624-K684 HydrophobicContact CG-CB 4.29Å; P624-K684 WeakPolarHBondContact CG-OXT 3.3Å; G681-K684 WeakPolarHBondContact O-CB 3.45Å; G681-K684 WeakPolarHBondContact O-CG 3.37Å; G681-K684 PolarHBondContact O-N 3.26Å

Retrieved 684 of 684 residues in 2342 ms (Link to these results)

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