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Antizyme inhibitor 2

Antizyme inhibitor (AZI) protein that positively regulates ornithine decarboxylase (ODC) activity and polyamine uptake. AZI is an enzymatically inactive ODC homolog that counteracts the negative effect of ODC antizymes (AZs) OAZ1, OAZ2 and OAZ3 on ODC activity by competing with ODC for antizyme-binding. Inhibits antizyme-dependent ODC degradation and releases ODC monomers from their inactive complex with antizymes, leading to formation of the catalytically active ODC homodimer and restoring polyamine production. Participates in the morphological integrity of the trans-Golgi network (TGN) and functions as a regulator of intracellular secretory vesicle trafficking.

AlphaFold DB , UniProt , Accession A0A0D9S7V5, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene AZIN2, Length 460 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
1M41.9Very low79.9Confident220 Ų22076.1 Ų76.1100%1.08446%0.456SS*.  0157.40-69.4176.8-159.900108.1G3M1-G3 PolarHBondContact O-N 3.34Å
2A55.1Low81Confident103 Ų10373.3 Ų73.385%0.85144%0.435SS*.  trans-60.5131170.500000108.7
3G72.5Confident81.6Confident44 Ų4468.3 Ų68.345%0.45441%0.406SS..  trans-60.3162.117700000112.1M1 L5 Q83M1-G3 PolarHBondContact O-N 3.34Å; G3-L5 PolarHBondContact O-N 3.42Å; G3-Q83 VanDerWaalsContact C-OE1 3.26Å; G3-Q83 VanDerWaalsContact CA-OE1 3.26Å
4Y85.3Confident81.7Confident76 Ų7671.4 Ų71.430%0.29842%0.415SS..SBendtrans-62.8-24.8174.1-61-79.4000113K79 A82 I102 V104Y4-K79 WeakPolarHBondContact O-CD 3.32Å; Y4-K79 WeakPolarHBondContact O-CG 3.48Å; Y4-A82 HydrophobicContact CD1-CB 3.92Å; Y4-A82 HydrophobicContact CD2-CB 3.92Å; Y4-A82 HydrophobicContact CE1-CB 4.27Å; Y4-A82 HydrophobicContact CE2-CB 4.26Å; Y4-A82 WeakPolarHBondContact CE2-O 3.29Å; Y4-A82 HydrophobicContact CG-CB 3.72Å; Y4-I102 HydrophobicContact CD1-CG2 3.85Å; Y4-I102 WeakPolarHBondContact CD1-O 3.28Å; Y4-V104 HydrophobicContact CE1-CG2 4.39Å
5L88.1Confident81.3Confident10 Ų1078.4 Ų78.45%0.05244%0.442CS..  trans-120.4135.6-176.9-16671000111.6G3 D9 F10 K79 V80 M410 W415 L418G3-L5 PolarHBondContact O-N 3.42Å; L5-D9 HydrophobicContact CD1-CB 3.8Å; L5-F10 HydrophobicContact CD1-CD1 4.43Å; L5-F10 HydrophobicContact CD2-CD1 4.13Å; L5-F10 HydrophobicContact CD2-CE1 3.79Å; L5-F10 HydrophobicContact CG-CD1 4.26Å; L5-F10 HydrophobicContact CG-CE1 4.01Å; L5-K79 HydrophobicContact CB-CB 4.45Å; L5-K79 HydrophobicContact CD1-CB 3.74Å; L5-K79 HydrophobicContact CD1-CD 4.1Å; L5-V80 HydrophobicContact CD1-CG2 4.19Å; L5-V80 HydrophobicContact CD2-CB 4.5Å; L5-V80 HydrophobicContact CD2-CG2 3.42Å; L5-V80 VanDerWaalsContact CD2-CG2 3.42Å; L5-V80 HydrophobicContact CG-CG2 4.44Å; L5-M410 HydrophobicContact CD2-CE 3.84Å; L5-W415 HydrophobicContact CB-CZ3 4.46Å; L5-W415 HydrophobicContact CD2-CE3 4.5Å; L5-W415 HydrophobicContact CD2-CZ3 3.91Å; L5-W415 HydrophobicContact CG-CZ3 4.34Å; L5-L418 HydrophobicContact CD2-CD2 3.98Å
6S87.2Confident80.9Confident56 Ų5678.9 Ų78.939%0.39247%0.47SS..  trans-110.4152.9174.8175.40000111S8 D9 F10S6-S8 WeakPolarHBondContact CB-OG 3.45Å; S6-S8 PolarHBondContact O-N 3.4Å; S6-S8 VanDerWaalsContact O-N 3.14Å; S6-S8 PolarHBondContact OG-N 2.7Å; S6-S8 PolarHBondContact OG-OG 3.13Å; S6-D9 PolarHBondContact N-OD2 3.37Å; S6-D9 VanDerWaalsContact O-CB 3.3Å; S6-D9 WeakPolarHBondContact O-CB 3.09Å; S6-D9 PolarHBondContact O-N 3.26Å; S6-F10 WeakPolarHBondContact O-CE1 3.42Å
7E87.1Confident80.9Confident95 Ų9579.2 Ų79.244%0.44446%0.464SS..G310 helixtrans-60.1-21.4172-68.8-173.1-171.600112.6D9 F10 W415E7-D9 VanDerWaalsContact C-N 3.25Å; E7-D9 PolarHBondContact O-N 3.32Å; E7-F10 VanDerWaalsContact O-O 3.1Å; E7-W415 HydrophobicContact CG-CZ2 3.61Å; E7-W415 PolarHBondContact OE1-NE1 3.03Å
8S88.4Confident81.1Confident103 Ų10377.4 Ų77.472%0.7246%0.456SS*.G310 helixtrans-74.3-11.4173.961.30000114.2S6 F10S6-S8 WeakPolarHBondContact CB-OG 3.45Å; S6-S8 PolarHBondContact O-N 3.4Å; S6-S8 VanDerWaalsContact O-N 3.14Å; S6-S8 PolarHBondContact OG-N 2.7Å; S6-S8 PolarHBondContact OG-OG 3.13Å; S8-F10 VanDerWaalsContact C-N 3.35Å
9D87.8Confident81.3Confident48 Ų4875.5 Ų75.526%0.25745%0.445SS..G310 helixtrans-82.8-10.8-177.9-70.6-47.9000112.9L5 S6 E7 K79L5-D9 HydrophobicContact CD1-CB 3.8Å; S6-D9 PolarHBondContact N-OD2 3.37Å; S6-D9 VanDerWaalsContact O-CB 3.3Å; S6-D9 WeakPolarHBondContact O-CB 3.09Å; S6-D9 PolarHBondContact O-N 3.26Å; E7-D9 VanDerWaalsContact C-N 3.25Å; E7-D9 PolarHBondContact O-N 3.32Å; D9-K79 IonicContact OD1-NZ 3.97Å; D9-K79 PolarHBondContact OD1-NZ 3.38Å; D9-K79 IonicContact OD2-NZ 3.74Å; D9-K79 PolarHBondContact OD2-NZ 3.22Å
10F92.1Very high81.5Confident18 Ų1877.9 Ų77.98%0.07945%0.446CS..SBendtrans-151.8160.2-175.658.8-92.7000112.9L5 S6 E7 S8 M12 L46 Y408 M410 W415L5-F10 HydrophobicContact CD1-CD1 4.43Å; L5-F10 HydrophobicContact CD2-CD1 4.13Å; L5-F10 HydrophobicContact CD2-CE1 3.79Å; L5-F10 HydrophobicContact CG-CD1 4.26Å; L5-F10 HydrophobicContact CG-CE1 4.01Å; S6-F10 WeakPolarHBondContact O-CE1 3.42Å; E7-F10 VanDerWaalsContact O-O 3.1Å; S8-F10 VanDerWaalsContact C-N 3.35Å; F10-M12 HydrophobicContact CE2-CE 3.6Å; F10-M12 HydrophobicContact CE2-SD 4.2Å; F10-M12 HydrophobicContact CZ-CE 4.12Å; F10-L46 HydrophobicContact CB-CD1 4.05Å; F10-L46 HydrophobicContact CD1-CD1 4.37Å; F10-L46 HydrophobicContact CG-CD1 4.4Å; F10-Y408 WeakPolarHBondContact CA-O 3.49Å; F10-M410 HydrophobicContact CD2-CB 3.52Å; F10-M410 HydrophobicContact CE1-CE 4.44Å; F10-M410 HydrophobicContact CE1-SD 4.47Å; F10-M410 HydrophobicContact CE2-CB 3.63Å; F10-M410 HydrophobicContact CE2-CG 4.4Å; F10-M410 HydrophobicContact CE2-SD 4.26Å; F10-M410 HydrophobicContact CG-CB 4.15Å; F10-M410 HydrophobicContact CZ-CB 4.35Å; F10-M410 HydrophobicContact CZ-SD 4.07Å; F10-W415 HydrophobicContact CE1-CE3 4.07Å; F10-W415 HydrophobicContact CE1-CZ3 4.11Å; F10-W415 AromaticContact CZ-CD2 3.82Å; F10-W415 HydrophobicContact CZ-CD2 3.82Å; F10-W415 AromaticContact CZ-CE3 3.69Å; F10-W415 HydrophobicContact CZ-CE3 3.69Å; F10-W415 HydrophobicContact CZ-CG 4.24Å; F10-W415 HydrophobicContact CZ-CZ3 4.15Å
11V93.1Very high81.9Confident64 Ų6476.4 Ų76.439%0.38844%0.437SS..EExtended strand (participates in β ladder)trans-81.4122171.6-178.60000109.1V13 T407 Y408 A409 M410V11-V13 PolarHBondContact O-N 3.02Å; V11-T407 HydrophobicContact CG2-CG2 4.02Å; V11-Y408 PolarHBondContact N-O 3.05Å; V11-A409 VanDerWaalsContact O-CA 3.29Å; V11-A409 WeakPolarHBondContact O-CA 3.45Å; V11-M410 PolarHBondContact O-N 3.2Å
12M92.8Very high84.1Confident42 Ų4266.6 Ų66.621%0.20739%0.389CS..EExtended strand (participates in β ladder)trans-72.4125.1172.7-16867.866.600109.5F10 M410 R412 W415F10-M12 HydrophobicContact CE2-CE 3.6Å; F10-M12 HydrophobicContact CE2-SD 4.2Å; F10-M12 HydrophobicContact CZ-CE 4.12Å; M12-M410 WeakPolarHBondContact CA-O 3.27Å; M12-R412 VanDerWaalsContact SD-CA 3.58Å; M12-R412 HydrophobicContact SD-CB 4.18Å; M12-W415 HydrophobicContact CE-CB 4.1Å; M12-W415 HydrophobicContact CE-CG 3.93Å; M12-W415 HydrophobicContact SD-CB 4.39Å
13V88.8Confident85.8Confident9 Ų961.9 Ų61.96%0.05535%0.349CS..EExtended strand (participates in β ladder)trans-99.4114.2177.3176.30000108.6V11 F17 A409 M410 S411V11-V13 PolarHBondContact O-N 3.02Å; V13-F17 VanDerWaalsContact CG1-C 3.49Å; V13-F17 HydrophobicContact CG1-CB 3.95Å; V13-F17 HydrophobicContact CG1-CD1 4.02Å; V13-F17 HydrophobicContact CG1-CG 4.47Å; V13-F17 WeakPolarHBondContact CG1-O 3.42Å; V13-A409 HydrophobicContact CG2-CB 3.83Å; V13-M410 PolarHBondContact N-O 3.23Å; V13-S411 WeakPolarHBondContact O-CA 3.33Å
14E83.1Confident86.6Confident112 Ų11264.3 Ų64.352%0.52335%0.348SS..  trans-72.3163.5-179.8-65.5-63.9160.900112.3G16 F17E14-G16 PolarHBondContact O-N 2.85Å; E14-F17 PolarHBondContact O-N 3.27Å; E14-F17 VanDerWaalsContact O-N 3.09Å
15E76.6Confident86.8Confident176 Ų17666.3 Ų66.382%0.82236%0.36SS*.THydrogen-bonded Turntrans-57130.6178.7-74-173.6171.300112.1F17E15-F17 VanDerWaalsContact C-N 3.32Å
16G74.8Confident86.8Confident86 Ų8668.5 Ų68.589%0.88737%0.371SS*.THydrogen-bonded Turntrans86.8-8-178.100000114.9E14E14-G16 PolarHBondContact O-N 2.85Å
17F80.2Confident86.7Confident84 Ų8465.9 Ų65.937%0.36835%0.353SS..  trans-99.7138.1170-157.7-110.3000109.6V13 E14 E15 D21 L22V13-F17 VanDerWaalsContact CG1-C 3.49Å; V13-F17 HydrophobicContact CG1-CB 3.95Å; V13-F17 HydrophobicContact CG1-CD1 4.02Å; V13-F17 HydrophobicContact CG1-CG 4.47Å; V13-F17 WeakPolarHBondContact CG1-O 3.42Å; E14-F17 PolarHBondContact O-N 3.27Å; E14-F17 VanDerWaalsContact O-N 3.09Å; E15-F17 VanDerWaalsContact C-N 3.32Å; F17-D21 HydrophobicContact CD1-CB 4.46Å; F17-D21 HydrophobicContact CD2-CB 3.74Å; F17-D21 HydrophobicContact CE1-CB 4.24Å; F17-D21 HydrophobicContact CE2-CB 3.47Å; F17-D21 VanDerWaalsContact CE2-CB 3.47Å; F17-D21 HydrophobicContact CG-CB 4.24Å; F17-D21 HydrophobicContact CZ-CB 3.75Å; F17-L22 HydrophobicContact CE1-CB 3.79Å; F17-L22 HydrophobicContact CE1-CD1 4.44Å
18S85Confident86.7Confident47 Ų4766.3 Ų66.333%0.32936%0.357SS..  trans-113.2163.3177.6730000111.5R20 D21 L22S18-R20 PolarHBondContact O-N 3.33Å; S18-R20 WeakPolarHBondContact OG-CB 3.42Å; S18-R20 PolarHBondContact OG-N 3.49Å; S18-D21 WeakPolarHBondContact CB-OD2 3.44Å; S18-D21 PolarHBondContact N-OD2 3.3Å; S18-D21 PolarHBondContact O-N 3.1Å; S18-D21 VanDerWaalsContact OG-CG 3.3Å; S18-D21 PolarHBondContact OG-N 3.2Å; S18-D21 PolarHBondContact OG-OD2 3.45Å; S18-L22 PolarHBondContact O-N 3.26Å
19T84.9Confident86.4Confident41 Ų4163.3 Ų63.325%0.25234%0.343SS..Hα-helixtrans-59.8-24.5169.950.60000112.6L23 V43 D45 A409T19-L23 WeakPolarHBondContact O-CB 3.25Å; T19-L23 PolarHBondContact O-N 2.98Å; T19-V43 HydrophobicContact CG2-CG1 4.49Å; T19-D45 HydrophobicContact CG2-CB 3.65Å; T19-A409 HydrophobicContact CG2-CB 3.81Å
20R85.9Confident86.1Confident124 Ų12462.3 Ų62.347%0.46834%0.341SS..Hα-helixtrans-69.8-33.1171.5-121.3-170.4-169.6-167.95.3112.9S18 K24 D385S18-R20 PolarHBondContact O-N 3.33Å; S18-R20 WeakPolarHBondContact OG-CB 3.42Å; S18-R20 PolarHBondContact OG-N 3.49Å; R20-K24 WeakPolarHBondContact O-CG 3.34Å; R20-K24 PolarHBondContact O-N 3.48Å; R20-K24 VanDerWaalsContact O-N 3.15Å; R20-D385 IonicContact NH2-OD2 3.39Å; R20-D385 PolarHBondContact NH2-OD2 3.44Å
21D89Confident85.5Confident47 Ų4764.9 Ų64.925%0.25136%0.362SS..Hα-helixtrans-76.7-38.2177.1-56.3-51.3000110.6F17 S18 L23 K24 E25F17-D21 HydrophobicContact CD1-CB 4.46Å; F17-D21 HydrophobicContact CD2-CB 3.74Å; F17-D21 HydrophobicContact CE1-CB 4.24Å; F17-D21 HydrophobicContact CE2-CB 3.47Å; F17-D21 VanDerWaalsContact CE2-CB 3.47Å; F17-D21 HydrophobicContact CG-CB 4.24Å; F17-D21 HydrophobicContact CZ-CB 3.75Å; S18-D21 WeakPolarHBondContact CB-OD2 3.44Å; S18-D21 PolarHBondContact N-OD2 3.3Å; S18-D21 PolarHBondContact O-N 3.1Å; S18-D21 VanDerWaalsContact OG-CG 3.3Å; S18-D21 PolarHBondContact OG-N 3.2Å; S18-D21 PolarHBondContact OG-OD2 3.45Å; D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 3.15Å; D21-K24 WeakPolarHBondContact O-CB 3.25Å; D21-K24 PolarHBondContact O-N 2.81Å; D21-K24 IonicContact OD1-NZ 2.84Å; D21-K24 PolarHBondContact OD1-NZ 3.17Å; D21-E25 PolarHBondContact O-N 3.42Å
22L89.1Confident84.5Confident13 Ų1369.1 Ų69.17%0.06838%0.377CS..Hα-helixtrans-57.1-46.1168.5-177.960.2000111.4F17 S18 K24 E25 L26 V43 T407 A409F17-L22 HydrophobicContact CE1-CB 3.79Å; F17-L22 HydrophobicContact CE1-CD1 4.44Å; S18-L22 PolarHBondContact O-N 3.26Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.28Å; L22-E25 PolarHBondContact O-N 3.34Å; L22-L26 HydrophobicContact CD1-CD1 4.3Å; L22-L26 HydrophobicContact CD1-CG 4.29Å; L22-L26 HydrophobicContact CG-CD1 4.04Å; L22-L26 HydrophobicContact CG-CG 4.46Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 3.33Å; L22-V43 HydrophobicContact CD2-CG1 4.11Å; L22-T407 HydrophobicContact CD2-CG2 4.24Å; L22-A409 HydrophobicContact CD2-CB 3.78Å
23L90.1Very high83.3Confident5 Ų569.6 Ų69.63%0.02639%0.387CS..Hα-helixtrans-57.6-44.7176.5-175.574.3000111.7T19 D21 L26 T27 F41 V43 T286 A288 V383T19-L23 WeakPolarHBondContact O-CB 3.25Å; T19-L23 PolarHBondContact O-N 2.98Å; D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 3.15Å; L23-L26 PolarHBondContact O-N 2.93Å; L23-T27 PolarHBondContact O-N 3.32Å; L23-T27 PolarHBondContact O-OG1 3.38Å; L23-F41 HydrophobicContact CD1-CE2 3.87Å; L23-F41 HydrophobicContact CD1-CZ 4.4Å; L23-V43 HydrophobicContact CB-CG2 4.17Å; L23-V43 HydrophobicContact CD1-CB 4.19Å; L23-V43 HydrophobicContact CD1-CG2 3.57Å; L23-T286 HydrophobicContact CD2-CG2 3.65Å; L23-A288 HydrophobicContact CD1-CB 4.04Å; L23-V383 HydrophobicContact CD2-CB 4.36Å; L23-V383 HydrophobicContact CD2-CG1 3.57Å; L23-V383 HydrophobicContact CD2-CG2 3.79Å
24K89.1Confident81.6Confident95 Ų9575.8 Ų75.841%0.41343%0.425SS..Hα-helixtrans-61.5-45.8177.2-70.4168.7-163.21560111.5R20 D21 L22 T27 L28R20-K24 WeakPolarHBondContact O-CG 3.34Å; R20-K24 PolarHBondContact O-N 3.48Å; R20-K24 VanDerWaalsContact O-N 3.15Å; D21-K24 WeakPolarHBondContact O-CB 3.25Å; D21-K24 PolarHBondContact O-N 2.81Å; D21-K24 IonicContact OD1-NZ 2.84Å; D21-K24 PolarHBondContact OD1-NZ 3.17Å; L22-K24 VanDerWaalsContact C-N 3.32Å; L22-K24 PolarHBondContact O-N 3.28Å; K24-T27 WeakPolarHBondContact CA-OG1 3.46Å; K24-T27 PolarHBondContact O-N 3.3Å; K24-T27 PolarHBondContact O-OG1 3.4Å; K24-L28 WeakPolarHBondContact O-CB 2.78Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.23Å; K24-L28 PolarHBondContact O-N 2.92Å
25E88.6Confident80Confident118 Ų11875.4 Ų75.455%0.55143%0.431SS*.Hα-helixtrans-59.7-46.5178.2-172.9-179.7166.300111.3D21 L22 T27 L28 G29D21-E25 PolarHBondContact O-N 3.42Å; L22-E25 PolarHBondContact O-N 3.34Å; E25-T27 PolarHBondContact O-N 2.94Å; E25-L28 PolarHBondContact O-N 3.3Å; E25-G29 PolarHBondContact O-N 2.85Å
26L88.3Confident79Confident56 Ų5675.1 Ų75.129%0.29344%0.435SS..Hα-helixtrans-62.5-43.3177.4-68.7172.6000112.1L22 L23 G29 A30 F41 V43 T407L22-L26 HydrophobicContact CD1-CD1 4.3Å; L22-L26 HydrophobicContact CD1-CG 4.29Å; L22-L26 HydrophobicContact CG-CD1 4.04Å; L22-L26 HydrophobicContact CG-CG 4.46Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 3.33Å; L23-L26 PolarHBondContact O-N 2.93Å; L26-G29 PolarHBondContact O-N 3.06Å; L26-A30 VanDerWaalsContact O-CB 3.28Å; L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 3.18Å; L26-F41 HydrophobicContact CB-CE2 3.6Å; L26-F41 HydrophobicContact CB-CZ 3.66Å; L26-F41 HydrophobicContact CD1-CD2 4.4Å; L26-F41 HydrophobicContact CD1-CE2 3.88Å; L26-F41 HydrophobicContact CG-CE2 4.39Å; L26-V43 HydrophobicContact CD1-CG2 3.71Å; L26-T407 HydrophobicContact CD1-CG2 4.29Å
27T86.6Confident78.2Confident1 Ų178.9 Ų78.91%0.00643%0.43CS..Hα-helixtrans-68.5-33.5176.747.80000113.3L23 K24 E25 S31 F41 A288 Q342 W381L23-T27 PolarHBondContact O-N 3.32Å; L23-T27 PolarHBondContact O-OG1 3.38Å; K24-T27 WeakPolarHBondContact CA-OG1 3.46Å; K24-T27 PolarHBondContact O-N 3.3Å; K24-T27 PolarHBondContact O-OG1 3.4Å; E25-T27 PolarHBondContact O-N 2.94Å; T27-S31 WeakPolarHBondContact O-CB 3.27Å; T27-S31 PolarHBondContact O-N 2.79Å; T27-S31 PolarHBondContact O-OG 2.79Å; T27-F41 HydrophobicContact CG2-CE1 4.02Å; T27-F41 HydrophobicContact CG2-CZ 3.56Å; T27-A288 HydrophobicContact CG2-CB 3.86Å; T27-Q342 PolarHBondContact OG1-NE2 3.34Å; T27-Q342 PolarHBondContact OG1-OE1 3.33Å; T27-Q342 VanDerWaalsContact OG1-OE1 3.1Å; T27-W381 HydrophobicContact CG2-CB 4.27Å; T27-W381 HydrophobicContact CG2-CD2 3.82Å; T27-W381 HydrophobicContact CG2-CE3 4.17Å; T27-W381 HydrophobicContact CG2-CG 3.88Å
28L86Confident77.5Confident103 Ų10378.1 Ų78.154%0.53943%0.432SS..Hα-helixtrans-65.8-50174-76.6167000110.2K24 E25 A30 S31 E32K24-L28 WeakPolarHBondContact O-CB 2.78Å; K24-L28 VanDerWaalsContact O-CG 3.29Å; K24-L28 WeakPolarHBondContact O-CG 3.23Å; K24-L28 PolarHBondContact O-N 2.92Å; E25-L28 PolarHBondContact O-N 3.3Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.09Å; L28-S31 WeakPolarHBondContact O-CB 3.11Å; L28-S31 PolarHBondContact O-N 3.18Å; L28-S31 VanDerWaalsContact O-N 3.09Å; L28-E32 WeakPolarHBondContact O-CG 3.44Å; L28-E32 PolarHBondContact O-N 3.3Å; L28-E32 VanDerWaalsContact O-N 3.07Å
29G82.8Confident77.5Confident40 Ų4079 Ų7941%0.41244%0.442SS..Hα-helixtrans-59.6-40.5176.500000112.9E25 L26 S31 E32 A33E25-G29 PolarHBondContact O-N 2.85Å; L26-G29 PolarHBondContact O-N 3.06Å; G29-S31 VanDerWaalsContact C-N 3.31Å; G29-S31 PolarHBondContact O-N 2.95Å; G29-E32 PolarHBondContact O-N 3.33Å; G29-A33 PolarHBondContact O-N 3.41Å
30A81.6Confident77.7Confident27 Ų2777.4 Ų77.422%0.22343%0.433CS..Hα-helixtrans-67.2-30176.100000113.1L26 L28 W381L26-A30 VanDerWaalsContact O-CB 3.28Å; L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 3.18Å; L28-A30 VanDerWaalsContact C-N 3.32Å; L28-A30 PolarHBondContact O-N 3.09Å; A30-W381 HydrophobicContact CB-CH2 4.33Å; A30-W381 HydrophobicContact CB-CZ2 3.62Å
31S78.3Confident78Confident73 Ų7372.4 Ų72.451%0.5141%0.414SS..Hα-helixtrans-76.5-26.1175.8-54.50000112.8T27 L28 G29 W381T27-S31 WeakPolarHBondContact O-CB 3.27Å; T27-S31 PolarHBondContact O-N 2.79Å; T27-S31 PolarHBondContact O-OG 2.79Å; L28-S31 WeakPolarHBondContact O-CB 3.11Å; L28-S31 PolarHBondContact O-N 3.18Å; L28-S31 VanDerWaalsContact O-N 3.09Å; G29-S31 VanDerWaalsContact C-N 3.31Å; G29-S31 PolarHBondContact O-N 2.95Å; S31-W381 PolarHBondContact OG-NE1 2.98Å; S31-W381 VanDerWaalsContact OG-NE1 3.08Å
32E72.9Confident78.2Confident153 Ų15370.2 Ų70.272%0.71540%0.403SS*.Hα-helixtrans-89.7-20.2178.7-69.5178.2-178.800113.1L28 G29 T34L28-E32 WeakPolarHBondContact O-CG 3.44Å; L28-E32 PolarHBondContact O-N 3.3Å; L28-E32 VanDerWaalsContact O-N 3.07Å; G29-E32 PolarHBondContact O-N 3.33Å; E32-T34 PolarHBondContact O-N 3.01Å
33A67.4Low78.5Confident51 Ų5169.8 Ų69.842%0.42140%0.401SS..  trans-64116.217800000110.9G29 T35G29-A33 PolarHBondContact O-N 3.41Å; A33-T35 PolarHBondContact O-N 3.47Å
34T53.1Low78.8Confident139 Ų13969.5 Ų69.585%0.85340%0.399SS*.  trans-78.511.4-179.755.10000113.8E32E32-T34 PolarHBondContact O-N 3.01Å
35T50.3Low79.1Confident105 Ų10566.2 Ų66.264%0.64439%0.386SS*.SBendtrans-109.3135.7-17446.60000111.8A33 E37A33-T35 PolarHBondContact O-N 3.47Å; T35-E37 VanDerWaalsContact C-N 3.29Å; T35-E37 PolarHBondContact O-N 3.26Å
36D54.5Low79.5Confident169 Ų16960.6 Ų60.690%0.90436%0.36SS*.SBendtrans-62.919.4-158.6-77.6-44.1000120
37E58.3Low79.8Confident166 Ų16657.9 Ų57.978%0.77635%0.346SS*.  trans-137.885.4176.3-72.7-176.1169.800111.9T35 A39T35-E37 VanDerWaalsContact C-N 3.29Å; T35-E37 PolarHBondContact O-N 3.26Å; E37-A39 PolarHBondContact O-N 2.97Å
38V66.5Low80.2Confident68 Ų6858.3 Ų58.341%0.41235%0.349SS..  trans-83.7104.6164.2-179.50000107.4W381V38-W381 HydrophobicContact CG1-CH2 3.34Å; V38-W381 HydrophobicContact CG1-CZ2 3.19Å; V38-W381 HydrophobicContact CG1-CZ3 4.43Å
39A83.2Confident80.7Confident65 Ų6553.4 Ų53.454%0.53732%0.323SS..  trans-110.1149.7178.400000110.9E37E37-A39 PolarHBondContact O-N 2.97Å
40A89.6Confident81.4Confident8 Ų851.6 Ų51.67%0.06630%0.304CS..  trans-51.1143.6167.400000111.3A288 V289 D320 E321 I326 C404A40-A288 VanDerWaalsContact CA-O 3.28Å; A40-A288 WeakPolarHBondContact CA-O 3.32Å; A40-V289 HydrophobicContact CB-CG1 3.93Å; A40-D320 PolarHBondContact N-OD2 2.79Å; A40-D320 VanDerWaalsContact N-OD2 3.09Å; A40-E321 HydrophobicContact CB-CB 4.48Å; A40-E321 HydrophobicContact CB-CG 3.79Å; A40-I326 HydrophobicContact CB-CD1 4.37Å; A40-C404 PolarHBondContact O-SG 2.77Å
41F91.8Very high82Confident18 Ų1856.1 Ų56.18%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-146.4153.7178.366.7-88.9000112.2L23 L26 T27 V43 V287 A288 W381 C404 H405L23-F41 HydrophobicContact CD1-CE2 3.87Å; L23-F41 HydrophobicContact CD1-CZ 4.4Å; L26-F41 HydrophobicContact CB-CE2 3.6Å; L26-F41 HydrophobicContact CB-CZ 3.66Å; L26-F41 HydrophobicContact CD1-CD2 4.4Å; L26-F41 HydrophobicContact CD1-CE2 3.88Å; L26-F41 HydrophobicContact CG-CE2 4.39Å; T27-F41 HydrophobicContact CG2-CE1 4.02Å; T27-F41 HydrophobicContact CG2-CZ 3.56Å; F41-V43 HydrophobicContact CD2-CG2 4.42Å; F41-V43 HydrophobicContact CE2-CG2 4.2Å; F41-V287 WeakPolarHBondContact O-CA 3.41Å; F41-V287 WeakPolarHBondContact O-CG2 3.49Å; F41-A288 HydrophobicContact CD1-CB 4.48Å; F41-A288 HydrophobicContact CE1-CB 4.03Å; F41-A288 HydrophobicContact CE2-CB 4.38Å; F41-A288 HydrophobicContact CZ-CB 3.98Å; F41-A288 PolarHBondContact N-O 3.02Å; F41-A288 VanDerWaalsContact N-O 3.12Å; F41-A288 PolarHBondContact O-N 3.31Å; F41-W381 AromaticContact CD1-CH2 3.94Å; F41-W381 HydrophobicContact CD1-CH2 3.94Å; F41-W381 AromaticContact CD1-CZ3 3.99Å; F41-W381 HydrophobicContact CD1-CZ3 3.99Å; F41-W381 HydrophobicContact CE1-CE3 4.37Å; F41-W381 AromaticContact CE1-CH2 3.6Å; F41-W381 HydrophobicContact CE1-CH2 3.6Å; F41-W381 HydrophobicContact CE1-CZ2 4.22Å; F41-W381 AromaticContact CE1-CZ3 3.7Å; F41-W381 HydrophobicContact CE1-CZ3 3.7Å; F41-C404 WeakPolarHBondContact CA-SG 3.36Å; F41-H405 CarbonylContact C-O 3.5Å; F41-H405 WeakPolarHBondContact CA-O 3.42Å; F41-H405 HydrophobicContact CB-CB 4.36Å
42F94Very high82.9Confident1 Ų154.2 Ų54.20%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-101.3144.1174.3-72.5-86.4000111.6F285 T286 V287 I326 M387 V392 C404 H405 I406 T407F42-F285 HydrophobicContact CB-CD1 4.25Å; F42-F285 HydrophobicContact CD1-CB 4.11Å; F42-F285 AromaticContact CD1-CD1 3.95Å; F42-F285 HydrophobicContact CD1-CD1 3.95Å; F42-F285 HydrophobicContact CG-CD1 4.25Å; F42-T286 WeakPolarHBondContact CA-O 3.28Å; F42-V287 HydrophobicContact CD1-CB 3.71Å; F42-V287 HydrophobicContact CD1-CG2 4.16Å; F42-V287 HydrophobicContact CD2-CG2 4.46Å; F42-V287 HydrophobicContact CE1-CB 3.59Å; F42-V287 HydrophobicContact CE1-CG1 4.42Å; F42-V287 HydrophobicContact CE1-CG2 4.01Å; F42-V287 HydrophobicContact CE2-CG2 4.29Å; F42-V287 HydrophobicContact CG-CB 4.38Å; F42-V287 HydrophobicContact CG-CG2 4.39Å; F42-V287 HydrophobicContact CZ-CB 4.13Å; F42-V287 HydrophobicContact CZ-CG2 4.07Å; F42-I326 HydrophobicContact CE1-CG2 4.36Å; F42-I326 HydrophobicContact CE2-CD1 3.61Å; F42-I326 HydrophobicContact CE2-CG1 4Å; F42-I326 HydrophobicContact CZ-CB 4.44Å; F42-I326 HydrophobicContact CZ-CD1 3.81Å; F42-I326 HydrophobicContact CZ-CG1 3.95Å; F42-I326 HydrophobicContact CZ-CG2 3.67Å; F42-M387 HydrophobicContact CE1-CB 4.06Å; F42-M387 WeakPolarHBondContact CE1-O 3.47Å; F42-V392 HydrophobicContact CD1-CG2 4.35Å; F42-V392 HydrophobicContact CD2-CG2 4.42Å; F42-V392 HydrophobicContact CE1-CG2 3.93Å; F42-V392 HydrophobicContact CE2-CG2 4.05Å; F42-V392 HydrophobicContact CZ-CG2 3.78Å; F42-C404 HydrophobicContact CD2-CB 4.12Å; F42-C404 WeakPolarHBondContact CD2-SG 3.4Å; F42-C404 HydrophobicContact CE2-CB 3.99Å; F42-C404 WeakPolarHBondContact CE2-SG 3.32Å; F42-H405 PolarHBondContact N-O 2.98Å; F42-I406 HydrophobicContact CB-CB 4.38Å; F42-I406 HydrophobicContact CB-CG1 4.19Å; F42-I406 HydrophobicContact CB-CG2 4.13Å; F42-I406 HydrophobicContact CD2-CG1 4.29Å; F42-T407 PolarHBondContact O-N 2.94Å
43V95.4Very high84Confident4 Ų447.2 Ų47.22%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-110.5127.2157.61780000108.1T19 L22 L23 L26 F41 T286 T407T19-V43 HydrophobicContact CG2-CG1 4.49Å; L22-V43 HydrophobicContact CD2-CG1 4.11Å; L23-V43 HydrophobicContact CB-CG2 4.17Å; L23-V43 HydrophobicContact CD1-CB 4.19Å; L23-V43 HydrophobicContact CD1-CG2 3.57Å; L26-V43 HydrophobicContact CD1-CG2 3.71Å; F41-V43 HydrophobicContact CD2-CG2 4.42Å; F41-V43 HydrophobicContact CE2-CG2 4.2Å; V43-T286 PolarHBondContact N-O 3.04Å; V43-T286 PolarHBondContact O-N 3.03Å; V43-T407 WeakPolarHBondContact CA-O 3.43Å
44A96.1Very high85.4Confident0 Ų047.3 Ų47.30%026%0.257CS..EExtended strand (participates in β ladder)trans-116.6112.5-176.300000111.4L46 A284 F285 I406 T407 Y408 A409A44-L46 PolarHBondContact O-N 3.26Å; A44-A284 CarbonylContact C-O 3.59Å; A44-A284 VanDerWaalsContact CA-O 3.28Å; A44-A284 WeakPolarHBondContact CA-O 3.37Å; A44-F285 HydrophobicContact CB-CD1 3.77Å; A44-F285 HydrophobicContact CB-CD2 4.33Å; A44-F285 HydrophobicContact CB-CE1 3.57Å; A44-F285 HydrophobicContact CB-CE2 4.13Å; A44-F285 HydrophobicContact CB-CG 4.14Å; A44-F285 HydrophobicContact CB-CZ 3.75Å; A44-I406 HydrophobicContact CB-CG2 3.94Å; A44-T407 PolarHBondContact N-O 2.88Å; A44-Y408 HydrophobicContact CB-CD1 3.73Å; A44-Y408 HydrophobicContact CB-CE1 4.18Å; A44-A409 PolarHBondContact O-N 2.95Å
45D96.1Very high87.4Confident25 Ų2542.5 Ų42.513%0.13423%0.228CC..EExtended strand (participates in β ladder)trans-77.792.3171.8-175.72.9000110.4T19 G47 A48 R51 A284T19-D45 HydrophobicContact CG2-CB 3.65Å; D45-G47 PolarHBondContact O-N 3.08Å; D45-G47 VanDerWaalsContact OD1-CA 3.23Å; D45-G47 WeakPolarHBondContact OD1-CA 3.3Å; D45-G47 PolarHBondContact OD1-N 3.26Å; D45-A48 HydrophobicContact CB-CB 4.04Å; D45-A48 VanDerWaalsContact O-CB 3.31Å; D45-A48 WeakPolarHBondContact O-CB 3.42Å; D45-A48 PolarHBondContact O-N 2.85Å; D45-A48 VanDerWaalsContact O-N 3.09Å; D45-A48 PolarHBondContact OD1-N 3.45Å; D45-A48 VanDerWaalsContact OD1-N 3.16Å; D45-A48 PolarHBondContact OD2-N 3.36Å; D45-R51 IonicContact OD2-CZ 2.59Å; D45-R51 IonicContact OD2-NH1 3.49Å; D45-R51 IonicContact OD2-NH2 3.76Å; D45-R51 PolarHBondContact OD2-NH2 3.43Å; D45-A284 PolarHBondContact N-O 3.4Å
46L96.2Very high89.7Confident0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-63.5-24.7173.6-62.8-177.6000112F10 A44 A48 I49 V50 V80 Y408 A409 M410F10-L46 HydrophobicContact CB-CD1 4.05Å; F10-L46 HydrophobicContact CD1-CD1 4.37Å; F10-L46 HydrophobicContact CG-CD1 4.4Å; A44-L46 PolarHBondContact O-N 3.26Å; L46-A48 VanDerWaalsContact C-N 3.29Å; L46-A48 PolarHBondContact O-N 3.03Å; L46-I49 HydrophobicContact CD2-CD1 3.95Å; L46-I49 WeakPolarHBondContact O-CB 3.29Å; L46-I49 PolarHBondContact O-N 2.97Å; L46-V50 PolarHBondContact O-N 3.22Å; L46-V80 HydrophobicContact CB-CG2 4.05Å; L46-V80 HydrophobicContact CD1-CG2 3.74Å; L46-V80 HydrophobicContact CD2-CG2 4.06Å; L46-V80 HydrophobicContact CG-CG2 4.16Å; L46-Y408 HydrophobicContact CD1-CD1 4.21Å; L46-Y408 HydrophobicContact CD1-CG 4.18Å; L46-Y408 HydrophobicContact CD2-CD1 3.73Å; L46-Y408 HydrophobicContact CD2-CE1 4.36Å; L46-Y408 HydrophobicContact CG-CD1 4.08Å; L46-Y408 HydrophobicContact CG-CG 4.44Å; L46-A409 PolarHBondContact N-O 2.77Å; L46-M410 HydrophobicContact CB-CB 4.33Å; L46-M410 HydrophobicContact CB-CE 3.38Å; L46-M410 HydrophobicContact CD1-CE 4.01Å; L46-M410 HydrophobicContact CG-CE 4.36Å
47G94.9Very high91.7Very high0 Ų031.7 Ų31.70%017%0.166CC..Hα-helixtrans-66.5-29.7173.500000112.9D45 I49 V50 R51D45-G47 PolarHBondContact O-N 3.08Å; D45-G47 VanDerWaalsContact OD1-CA 3.23Å; D45-G47 WeakPolarHBondContact OD1-CA 3.3Å; D45-G47 PolarHBondContact OD1-N 3.26Å; G47-I49 VanDerWaalsContact C-N 3.3Å; G47-I49 PolarHBondContact O-N 3.03Å; G47-V50 PolarHBondContact O-N 2.93Å; G47-R51 WeakPolarHBondContact O-CG 3.25Å; G47-R51 PolarHBondContact O-N 2.92Å; G47-R51 PolarHBondContact O-NH1 3.31Å
48A95.3Very high93.5Very high9 Ų932.3 Ų32.37%0.07417%0.166CC..Hα-helixtrans-62.7-3917300000111.8D45 L46 R51 K52 A284D45-A48 HydrophobicContact CB-CB 4.04Å; D45-A48 VanDerWaalsContact O-CB 3.31Å; D45-A48 WeakPolarHBondContact O-CB 3.42Å; D45-A48 PolarHBondContact O-N 2.85Å; D45-A48 VanDerWaalsContact O-N 3.09Å; D45-A48 PolarHBondContact OD1-N 3.45Å; D45-A48 VanDerWaalsContact OD1-N 3.16Å; D45-A48 PolarHBondContact OD2-N 3.36Å; L46-A48 VanDerWaalsContact C-N 3.29Å; L46-A48 PolarHBondContact O-N 3.03Å; A48-R51 VanDerWaalsContact CA-NH2 3.3Å; A48-R51 PolarHBondContact O-N 2.95Å; A48-K52 WeakPolarHBondContact O-CG 3.31Å; A48-K52 PolarHBondContact O-N 3.01Å; A48-A284 HydrophobicContact CB-CB 4.1Å
49I97.2Very high95Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-63.5-44176.5-56.7176.9000110.3L46 G47 K52 H53 V77 V80 L81 Y280 V281 A284L46-I49 HydrophobicContact CD2-CD1 3.95Å; L46-I49 WeakPolarHBondContact O-CB 3.29Å; L46-I49 PolarHBondContact O-N 2.97Å; G47-I49 VanDerWaalsContact C-N 3.3Å; G47-I49 PolarHBondContact O-N 3.03Å; I49-K52 WeakPolarHBondContact O-CB 3.46Å; I49-K52 PolarHBondContact O-N 3.15Å; I49-H53 PolarHBondContact O-N 3.01Å; I49-V77 HydrophobicContact CD1-CB 4.42Å; I49-V77 HydrophobicContact CD1-CG1 4.25Å; I49-V77 HydrophobicContact CD1-CG2 3.94Å; I49-V80 HydrophobicContact CB-CG1 4.47Å; I49-V80 HydrophobicContact CG2-CG1 4.17Å; I49-L81 HydrophobicContact CG2-CD2 3.39Å; I49-L81 HydrophobicContact CG2-CG 4.08Å; I49-Y280 HydrophobicContact CG2-CD1 3.89Å; I49-V281 HydrophobicContact CD1-CG1 4.43Å; I49-A284 HydrophobicContact CD1-CB 4.33Å; I49-A284 HydrophobicContact CG1-CB 3.82Å
50V96.1Very high95.7Very high2 Ų227.1 Ų27.11%0.01213%0.128CC..Hα-helixtrans-60.6-45.4175.8176.70000111.1L46 G47 K52 H53 F54 V80 L84L46-V50 PolarHBondContact O-N 3.22Å; G47-V50 PolarHBondContact O-N 2.93Å; V50-K52 PolarHBondContact O-N 3.1Å; V50-H53 WeakPolarHBondContact O-CB 3.44Å; V50-H53 PolarHBondContact O-N 3.16Å; V50-H53 VanDerWaalsContact O-N 3.17Å; V50-F54 HydrophobicContact CG1-CD2 3.9Å; V50-F54 HydrophobicContact CG1-CE2 3.51Å; V50-F54 VanDerWaalsContact O-CD2 3.25Å; V50-F54 WeakPolarHBondContact O-CD2 3.26Å; V50-F54 PolarHBondContact O-N 3.26Å; V50-V80 HydrophobicContact CG2-CG1 4.07Å; V50-L84 HydrophobicContact CG1-CD2 4.49Å; V50-L84 HydrophobicContact CG2-CD1 4.35Å
51R94.9Very high96Very high122 Ų12231.2 Ų31.246%0.4615%0.154SC..Hα-helixtrans-61.1-43.7176.6-69.6-174.6-61-87.17.4112.2D45 G47 A48 H53 F54 C55D45-R51 IonicContact OD2-CZ 2.59Å; D45-R51 IonicContact OD2-NH1 3.49Å; D45-R51 IonicContact OD2-NH2 3.76Å; D45-R51 PolarHBondContact OD2-NH2 3.43Å; G47-R51 WeakPolarHBondContact O-CG 3.25Å; G47-R51 PolarHBondContact O-N 2.92Å; G47-R51 PolarHBondContact O-NH1 3.31Å; A48-R51 VanDerWaalsContact CA-NH2 3.3Å; A48-R51 PolarHBondContact O-N 2.95Å; R51-H53 VanDerWaalsContact C-N 3.29Å; R51-H53 PolarHBondContact O-N 3.48Å; R51-F54 PolarHBondContact O-N 2.78Å; R51-C55 PolarHBondContact O-N 3.13Å
52K96.5Very high96.2Very high34 Ų3432.6 Ų32.615%0.14816%0.159CC..Hα-helixtrans-58.9-40.9174.1-75.1-75.1-168167.20111.5A48 I49 V50 C55 F56 G241 Y279 Y280A48-K52 WeakPolarHBondContact O-CG 3.31Å; A48-K52 PolarHBondContact O-N 3.01Å; I49-K52 WeakPolarHBondContact O-CB 3.46Å; I49-K52 PolarHBondContact O-N 3.15Å; V50-K52 PolarHBondContact O-N 3.1Å; K52-C55 PolarHBondContact O-N 3.01Å; K52-F56 WeakPolarHBondContact O-CB 3.34Å; K52-F56 PolarHBondContact O-N 3.12Å; K52-G241 PolarHBondContact NZ-O 2.9Å; K52-Y279 HydrophobicContact CB-CE1 3.89Å; K52-Y279 HydrophobicContact CD-CE1 4.14Å; K52-Y279 HydrophobicContact CD-CE2 4.06Å; K52-Y279 VanDerWaalsContact CD-O 3.32Å; K52-Y279 WeakPolarHBondContact CD-O 3.47Å; K52-Y279 VanDerWaalsContact CE-O 3.29Å; K52-Y279 WeakPolarHBondContact CE-O 3.49Å; K52-Y279 WeakPolarHBondContact O-CE1 3.48Å; K52-Y279 PolarHBondContact O-OH 3.34Å; K52-Y280 HydrophobicContact CB-CD1 4.03Å; K52-Y280 HydrophobicContact CB-CE1 4.34Å
53H97.2Very high96.4Very high5 Ų532.7 Ų32.72%0.02316%0.16CC..Hα-helixtrans-60.4-49.1178-17362.5000112.7I49 V50 R51 C55 F56 L57 L84 Y280 Q421I49-H53 PolarHBondContact O-N 3.01Å; V50-H53 WeakPolarHBondContact O-CB 3.44Å; V50-H53 PolarHBondContact O-N 3.16Å; V50-H53 VanDerWaalsContact O-N 3.17Å; R51-H53 VanDerWaalsContact C-N 3.29Å; R51-H53 PolarHBondContact O-N 3.48Å; H53-C55 VanDerWaalsContact C-N 3.34Å; H53-C55 PolarHBondContact O-N 3.28Å; H53-F56 WeakPolarHBondContact O-CB 3.35Å; H53-F56 PolarHBondContact O-N 2.91Å; H53-F56 VanDerWaalsContact O-N 3.17Å; H53-L57 WeakPolarHBondContact NE2-CD1 3.45Å; H53-L57 WeakPolarHBondContact O-CG 3.44Å; H53-L57 PolarHBondContact O-N 3.15Å; H53-L84 HydrophobicContact CB-CD1 3.86Å; H53-L84 HydrophobicContact CB-CD2 4.46Å; H53-Y280 HydrophobicContact CB-CE1 3.85Å; H53-Y280 AromaticContact ND1-CZ 3.96Å; H53-Y280 PolarHBondContact ND1-OH 3Å; H53-Q421 PolarHBondContact NE2-NE2 2.93Å
54F95.6Very high96.6Very high54 Ų5437.2 Ų37.224%0.23718%0.177CC..Hα-helixtrans-65.5-36.9178.4-71.7-64.3000112.6V50 R51 F56 L57 K58 A417 W442V50-F54 HydrophobicContact CG1-CD2 3.9Å; V50-F54 HydrophobicContact CG1-CE2 3.51Å; V50-F54 VanDerWaalsContact O-CD2 3.25Å; V50-F54 WeakPolarHBondContact O-CD2 3.26Å; V50-F54 PolarHBondContact O-N 3.26Å; R51-F54 PolarHBondContact O-N 2.78Å; F54-F56 VanDerWaalsContact C-N 3.34Å; F54-L57 PolarHBondContact O-N 3.17Å; F54-K58 WeakPolarHBondContact O-CB 3.33Å; F54-K58 PolarHBondContact O-N 2.89Å; F54-A417 HydrophobicContact CE2-CB 4.05Å; F54-A417 HydrophobicContact CZ-CB 4.47Å; F54-W442 HydrophobicContact CD1-CZ3 4.48Å
55C96.1Very high96.6Very high38 Ų3837.9 Ų37.926%0.25718%0.181SC..Hα-helixtrans-60.7-44.2171.9-179.40000111.4R51 K52 H53 K58 C59R51-C55 PolarHBondContact O-N 3.13Å; K52-C55 PolarHBondContact O-N 3.01Å; H53-C55 VanDerWaalsContact C-N 3.34Å; H53-C55 PolarHBondContact O-N 3.28Å; C55-K58 PolarHBondContact O-N 3.39Å; C55-C59 WeakPolarHBondContact O-CB 3.27Å; C55-C59 PolarHBondContact O-N 3.12Å; C55-C59 PolarHBondContact O-SG 3.34Å
56F97.3Very high96.8Very high0 Ų036.8 Ų36.80%018%0.175CC..Hα-helixtrans-59.1-51.9176.9-178.9-89.3000111.8K52 H53 F54 K58 C59 L60 V63 P65 F249 A274 L276 Y279K52-F56 WeakPolarHBondContact O-CB 3.34Å; K52-F56 PolarHBondContact O-N 3.12Å; H53-F56 WeakPolarHBondContact O-CB 3.35Å; H53-F56 PolarHBondContact O-N 2.91Å; H53-F56 VanDerWaalsContact O-N 3.17Å; F54-F56 VanDerWaalsContact C-N 3.34Å; F56-K58 VanDerWaalsContact C-N 3.26Å; F56-K58 PolarHBondContact O-N 3.38Å; F56-C59 PolarHBondContact O-N 3.38Å; F56-C59 VanDerWaalsContact O-N 3.13Å; F56-L60 HydrophobicContact CD2-CD1 4.29Å; F56-L60 HydrophobicContact CE1-CB 4.4Å; F56-L60 HydrophobicContact CE2-CB 4.32Å; F56-L60 HydrophobicContact CE2-CD1 3.58Å; F56-L60 HydrophobicContact CZ-CB 4.11Å; F56-L60 HydrophobicContact CZ-CD1 3.98Å; F56-L60 PolarHBondContact O-N 3.25Å; F56-V63 HydrophobicContact CE1-CB 4.48Å; F56-V63 WeakPolarHBondContact CE1-O 3.18Å; F56-V63 HydrophobicContact CZ-CB 4.13Å; F56-V63 HydrophobicContact CZ-CG1 3.92Å; F56-P65 HydrophobicContact CD1-CB 4.01Å; F56-P65 HydrophobicContact CD1-CG 4.12Å; F56-P65 HydrophobicContact CE1-CB 3.72Å; F56-P65 HydrophobicContact CE1-CG 3.98Å; F56-P65 HydrophobicContact CZ-CB 4.27Å; F56-F249 HydrophobicContact CB-CZ 4.37Å; F56-F249 HydrophobicContact CD2-CE2 4.01Å; F56-F249 AromaticContact CD2-CZ 3.58Å; F56-F249 HydrophobicContact CD2-CZ 3.58Å; F56-F249 HydrophobicContact CE2-CE2 4.41Å; F56-F249 HydrophobicContact CE2-CZ 4.24Å; F56-F249 HydrophobicContact CG-CZ 4.33Å; F56-A274 HydrophobicContact CZ-CB 4.33Å; F56-L276 HydrophobicContact CD1-CD1 4.39Å; F56-L276 HydrophobicContact CD2-CD1 3.64Å; F56-L276 HydrophobicContact CD2-CD2 4.02Å; F56-L276 HydrophobicContact CD2-CG 4.48Å; F56-L276 HydrophobicContact CE1-CD1 4.2Å; F56-L276 HydrophobicContact CE2-CD1 3.41Å; F56-L276 VanDerWaalsContact CE2-CD1 3.41Å; F56-L276 HydrophobicContact CE2-CD2 3.8Å; F56-L276 HydrophobicContact CE2-CG 4.13Å; F56-L276 HydrophobicContact CG-CD1 4.14Å; F56-L276 HydrophobicContact CZ-CD1 3.72Å; F56-Y279 HydrophobicContact CB-CE1 3.81Å; F56-Y279 HydrophobicContact CD2-CE1 4.23Å; F56-Y279 HydrophobicContact CG-CE1 4.43Å; F56-Y279 PolarHBondContact N-OH 3.46Å
57L96.4Very high96.9Very high46 Ų4636.8 Ų36.824%0.24118%0.175CC..Hα-helixtrans-60.6-36.1179.6-66.7-177.8000112.3H53 F54 P61H53-L57 WeakPolarHBondContact NE2-CD1 3.45Å; H53-L57 WeakPolarHBondContact O-CG 3.44Å; H53-L57 PolarHBondContact O-N 3.15Å; F54-L57 PolarHBondContact O-N 3.17Å; L57-P61 VanDerWaalsContact O-CA 3.27Å; L57-P61 WeakPolarHBondContact O-CA 3.47Å
58K97.1Very high97Very high180 Ų18037 Ų3778%0.78318%0.176SC*.Hα-helixtrans-66.8-41.4175.8-176-180179.1179.40112.2F54 C55 F56F54-K58 WeakPolarHBondContact O-CB 3.33Å; F54-K58 PolarHBondContact O-N 2.89Å; C55-K58 PolarHBondContact O-N 3.39Å; F56-K58 VanDerWaalsContact C-N 3.26Å; F56-K58 PolarHBondContact O-N 3.38Å
59C97.8Very high97Very high23 Ų2336.5 Ų36.516%0.15517%0.173CC..Hα-helixtrans-85.5-30.2-174.1-60.70000113.3C55 F56 F249 A253 N257C55-C59 WeakPolarHBondContact O-CB 3.27Å; C55-C59 PolarHBondContact O-N 3.12Å; C55-C59 PolarHBondContact O-SG 3.34Å; F56-C59 PolarHBondContact O-N 3.38Å; F56-C59 VanDerWaalsContact O-N 3.13Å; C59-F249 HydrophobicContact CB-CD1 4.36Å; C59-F249 HydrophobicContact CB-CE1 3.54Å; C59-F249 HydrophobicContact CB-CZ 4.06Å; C59-A253 HydrophobicContact CB-CB 3.7Å; C59-N257 PolarHBondContact O-ND2 3.26Å
60L97.9Very high96.8Very high0 Ų040.5 Ų40.50%019%0.19CC..  trans-130.664.6-178.5-70.1174.3000110.6F56 R62 V63 F239 F249 A253 I256 N257F56-L60 HydrophobicContact CD2-CD1 4.29Å; F56-L60 HydrophobicContact CE1-CB 4.4Å; F56-L60 HydrophobicContact CE2-CB 4.32Å; F56-L60 HydrophobicContact CE2-CD1 3.58Å; F56-L60 HydrophobicContact CZ-CB 4.11Å; F56-L60 HydrophobicContact CZ-CD1 3.98Å; F56-L60 PolarHBondContact O-N 3.25Å; L60-R62 PolarHBondContact O-N 3.41Å; L60-R62 VanDerWaalsContact O-N 3.14Å; L60-V63 HydrophobicContact CB-CB 3.99Å; L60-V63 HydrophobicContact CB-CG2 3.94Å; L60-V63 HydrophobicContact CD2-CG2 4.22Å; L60-V63 HydrophobicContact CG-CG2 4.48Å; L60-V63 PolarHBondContact O-N 3.21Å; L60-V63 VanDerWaalsContact O-N 3.07Å; L60-F239 HydrophobicContact CD1-CE1 4.24Å; L60-F249 HydrophobicContact CD1-CE2 4.12Å; L60-F249 HydrophobicContact CD1-CZ 4.07Å; L60-F249 HydrophobicContact CG-CZ 4.45Å; L60-A253 HydrophobicContact CD1-CB 4.38Å; L60-A253 HydrophobicContact CD2-CB 3.92Å; L60-A253 HydrophobicContact CG-CB 3.84Å; L60-I256 HydrophobicContact CD2-CB 4.05Å; L60-I256 HydrophobicContact CD2-CG2 3.67Å; L60-N257 WeakPolarHBondContact CD2-OD1 3.37Å
61P96.5Very high96.7Very high94 Ų9440.5 Ų40.561%0.6119%0.19SC*.THydrogen-bonded Turntrans-65-22.5-171.126.4-35.6000114L57L57-P61 VanDerWaalsContact O-CA 3.27Å; L57-P61 WeakPolarHBondContact O-CA 3.47Å
62R96.8Very high96.6Very high47 Ų4734.8 Ų34.818%0.17717%0.169CC..THydrogen-bonded Turntrans-88.7-7.1180-59.2175.458.4-158-11.2113.4L60 D261 F264 E266L60-R62 PolarHBondContact O-N 3.41Å; L60-R62 VanDerWaalsContact O-N 3.14Å; R62-D261 IonicContact CZ-OD1 3.89Å; R62-D261 IonicContact NH1-OD1 2.78Å; R62-D261 PolarHBondContact NH1-OD1 3.48Å; R62-F264 PolarHBondContact NH1-O 3Å; R62-F264 PolarHBondContact NH2-O 2.87Å; R62-E266 VanDerWaalsContact CD-OE1 3.3Å; R62-E266 WeakPolarHBondContact CD-OE1 3.4Å; R62-E266 HydrophobicContact CG-CG 4.49Å; R62-E266 IonicContact NE-OE1 3.3Å
63V98.2Very high96.5Very high4 Ų435.6 Ų35.62%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-107.6127.9-171.2-175.20000109.8F56 L60 P65 L235 L260 I272 A274F56-V63 HydrophobicContact CE1-CB 4.48Å; F56-V63 WeakPolarHBondContact CE1-O 3.18Å; F56-V63 HydrophobicContact CZ-CB 4.13Å; F56-V63 HydrophobicContact CZ-CG1 3.92Å; L60-V63 HydrophobicContact CB-CB 3.99Å; L60-V63 HydrophobicContact CB-CG2 3.94Å; L60-V63 HydrophobicContact CD2-CG2 4.22Å; L60-V63 HydrophobicContact CG-CG2 4.48Å; L60-V63 PolarHBondContact O-N 3.21Å; L60-V63 VanDerWaalsContact O-N 3.07Å; V63-P65 WeakPolarHBondContact O-CD 3.36Å; V63-L235 HydrophobicContact CG1-CD1 4.05Å; V63-L235 HydrophobicContact CG2-CD1 3.97Å; V63-L260 HydrophobicContact CG2-CD1 3.94Å; V63-I272 CarbonylContact C-O 3.45Å; V63-I272 WeakPolarHBondContact CA-O 3.38Å; V63-I272 HydrophobicContact CB-CG2 4.49Å; V63-I272 HydrophobicContact CG1-CG2 4.25Å; V63-I272 HydrophobicContact CG2-CG2 3.92Å; V63-A274 HydrophobicContact CG1-CB 3.64Å
64R97.7Very high96.4Very high99 Ų9935.7 Ų35.737%0.37418%0.18SC..EExtended strand (participates in β ladder)trans-85.7121.7176.1-84.416433.281.14110.9D271 I272 L273 A274R64-D271 WeakPolarHBondContact CD-OD1 3.4Å; R64-D271 IonicContact CZ-OD2 2.98Å; R64-D271 IonicContact NE-OD1 2.78Å; R64-D271 PolarHBondContact NE-OD1 3.37Å; R64-D271 IonicContact NE-OD2 3.93Å; R64-D271 PolarHBondContact NE-OD2 3.16Å; R64-D271 IonicContact NH2-OD2 2.95Å; R64-I272 PolarHBondContact N-O 3.29Å; R64-L273 HydrophobicContact CB-CD2 3.8Å; R64-L273 WeakPolarHBondContact O-CA 3.43Å; R64-A274 PolarHBondContact O-N 2.92Å; R64-A274 VanDerWaalsContact O-N 3.1Å
65P97.9Very high96.2Very high13 Ų1336.8 Ų36.88%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-76.4128-179.527-30.7000112.2F56 V63 L86 G87 L276F56-P65 HydrophobicContact CD1-CB 4.01Å; F56-P65 HydrophobicContact CD1-CG 4.12Å; F56-P65 HydrophobicContact CE1-CB 3.72Å; F56-P65 HydrophobicContact CE1-CG 3.98Å; F56-P65 HydrophobicContact CZ-CB 4.27Å; V63-P65 WeakPolarHBondContact O-CD 3.36Å; P65-L86 HydrophobicContact CB-CD2 4.05Å; P65-L86 HydrophobicContact CB-CG 4.08Å; P65-L86 HydrophobicContact CG-CD2 4.45Å; P65-L86 HydrophobicContact CG-CG 3.95Å; P65-G87 PolarHBondContact O-N 3.46Å; P65-L276 HydrophobicContact CB-CD1 3.52Å
66F98.5Very high96Very high2 Ų235.1 Ų35.11%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-114.1128.4167.8-82.7-116.3000109.4G87 K108 I110 L273 A274 E275 L276F66-G87 CarbonylContact C-O 3.55Å; F66-G87 VanDerWaalsContact CA-O 3.29Å; F66-G87 WeakPolarHBondContact CA-O 3.4Å; F66-K108 WeakPolarHBondContact CE1-O 3.27Å; F66-I110 HydrophobicContact CD1-CB 4.46Å; F66-I110 HydrophobicContact CD1-CG2 3.73Å; F66-I110 HydrophobicContact CE1-CB 4.44Å; F66-I110 HydrophobicContact CE1-CG2 4.19Å; F66-L273 HydrophobicContact CD2-CB 4.3Å; F66-L273 HydrophobicContact CD2-CD1 4.4Å; F66-L273 HydrophobicContact CD2-CD2 4.11Å; F66-L273 HydrophobicContact CE2-CD1 4.05Å; F66-L273 HydrophobicContact CE2-CD2 3.59Å; F66-L273 HydrophobicContact CE2-CG 4.28Å; F66-L273 HydrophobicContact CZ-CD1 4.24Å; F66-L273 HydrophobicContact CZ-CD2 4.37Å; F66-A274 PolarHBondContact N-O 2.95Å; F66-A274 VanDerWaalsContact O-O 3.13Å; F66-E275 CarbonylContact O-C 3.38Å; F66-E275 WeakPolarHBondContact O-CA 3.31Å; F66-L276 PolarHBondContact O-N 3.22Å
67Y98.5Very high96Very high0 Ų035.1 Ų35.10%018%0.182CC..EExtended strand (participates in β ladder)trans-84.4127.3179.4-178.7-110.5000112V69 N72 V77 L78 L81 G87 F88 S89 L276 Y280 V281Y67-V69 HydrophobicContact CD1-CG2 4.47Å; Y67-V69 PolarHBondContact O-N 2.78Å; Y67-N72 WeakPolarHBondContact CE1-O 3.42Å; Y67-N72 WeakPolarHBondContact OH-CB 3.42Å; Y67-N72 PolarHBondContact OH-N 3.5Å; Y67-N72 VanDerWaalsContact OH-N 3.1Å; Y67-N72 PolarHBondContact OH-O 2.9Å; Y67-V77 HydrophobicContact CE1-CG1 4.27Å; Y67-L78 HydrophobicContact CD1-CD2 3.76Å; Y67-L78 HydrophobicContact CE1-CD2 3.71Å; Y67-L81 HydrophobicContact CD1-CD1 3.69Å; Y67-L81 HydrophobicContact CD2-CD1 3.37Å; Y67-L81 HydrophobicContact CE1-CD1 4.09Å; Y67-L81 HydrophobicContact CE2-CD1 3.82Å; Y67-L81 HydrophobicContact CG-CD1 3.3Å; Y67-G87 PolarHBondContact N-O 2.96Å; Y67-F88 HydrophobicContact CD1-CD1 4.11Å; Y67-F88 HydrophobicContact CD1-CE1 4.11Å; Y67-F88 CarbonylContact O-C 3.02Å; Y67-F88 WeakPolarHBondContact O-CA 3.44Å; Y67-S89 PolarHBondContact O-N 2.87Å; Y67-L276 WeakPolarHBondContact CA-O 3.47Å; Y67-L276 WeakPolarHBondContact CD2-O 3.39Å; Y67-Y280 HydrophobicContact CD2-CD2 4.09Å; Y67-V281 HydrophobicContact CE2-CG1 4.01Å
68A97.1Very high96Very high4 Ų433 Ų333%0.03317%0.17CC..EExtended strand (participates in β ladder)trans-78.898.8175.100000110.8K70 C71 L276A68-K70 HydrophobicContact CB-CG 4.4Å; A68-K70 PolarHBondContact O-N 3.19Å; A68-K70 VanDerWaalsContact O-N 3.17Å; A68-C71 VanDerWaalsContact O-CB 3.22Å; A68-C71 WeakPolarHBondContact O-CB 3.34Å; A68-C71 PolarHBondContact O-N 3.26Å; A68-L276 PolarHBondContact N-O 3.43Å
69V96.7Very high95.9Very high0 Ų026.9 Ų26.90%014%0.144CC..G310 helixtrans-57.3-36.7-171.3-178.10000112.6Y67 C71 N72 S73 L78 F88 S89 E95 V99Y67-V69 HydrophobicContact CD1-CG2 4.47Å; Y67-V69 PolarHBondContact O-N 2.78Å; V69-C71 PolarHBondContact O-N 3.36Å; V69-N72 CarbonylContact O-C 3.58Å; V69-N72 PolarHBondContact O-N 3.21Å; V69-S73 PolarHBondContact O-N 2.81Å; V69-L78 HydrophobicContact CG1-CD1 4.43Å; V69-L78 HydrophobicContact CG1-CD2 4.27Å; V69-L78 HydrophobicContact CG2-CD2 4.37Å; V69-F88 HydrophobicContact CG2-CB 4.21Å; V69-F88 HydrophobicContact CG2-CD1 3.85Å; V69-F88 HydrophobicContact CG2-CG 4.5Å; V69-S89 PolarHBondContact N-O 3.43Å; V69-E95 HydrophobicContact CB-CB 4.16Å; V69-E95 HydrophobicContact CB-CG 4.08Å; V69-E95 HydrophobicContact CG1-CB 3.93Å; V69-E95 HydrophobicContact CG1-CG 3.72Å; V69-V99 HydrophobicContact CG2-CG2 3.66Å
70K92.6Very high95.8Very high84 Ų8425.8 Ų25.837%0.36514%0.137SC..G310 helixtrans-52.2-21.1174.467.7-175.3175.5-167.70115A68 Y390A68-K70 HydrophobicContact CB-CG 4.4Å; A68-K70 PolarHBondContact O-N 3.19Å; A68-K70 VanDerWaalsContact O-N 3.17Å; K70-Y390 HydrophobicContact CG-CE1 4.44Å
71C93.2Very high95.8Very high2 Ų225.8 Ų25.81%0.01414%0.137CC..G310 helixtrans-76.2-43.7-177.8-172.30000112A68 V69 R278 A389 Y390A68-C71 VanDerWaalsContact O-CB 3.22Å; A68-C71 WeakPolarHBondContact O-CB 3.34Å; A68-C71 PolarHBondContact O-N 3.26Å; V69-C71 PolarHBondContact O-N 3.36Å; C71-R278 PolarHBondContact SG-N 3.41Å; C71-R278 VanDerWaalsContact SG-N 3.4Å; C71-A389 VanDerWaalsContact SG-CB 3.57Å; C71-Y390 HydrophobicContact CB-CE1 4.23Å; C71-Y390 HydrophobicContact CB-CE2 4.33Å; C71-Y390 PolarHBondContact O-N 3.48Å; C71-Y390 VanDerWaalsContact SG-CE2 3.58Å
72N94.2Very high95.8Very high2 Ų221.6 Ų21.61%0.01111%0.11CC..  trans-161.9109.4173.5-172.6-29.8000109.1Y67 V69 S74 V281 F285 G388Y67-N72 WeakPolarHBondContact CE1-O 3.42Å; Y67-N72 WeakPolarHBondContact OH-CB 3.42Å; Y67-N72 PolarHBondContact OH-N 3.5Å; Y67-N72 VanDerWaalsContact OH-N 3.1Å; Y67-N72 PolarHBondContact OH-O 2.9Å; V69-N72 CarbonylContact O-C 3.58Å; V69-N72 PolarHBondContact O-N 3.21Å; N72-S74 VanDerWaalsContact C-N 3.29Å; N72-S74 PolarHBondContact O-N 2.94Å; N72-S74 WeakPolarHBondContact OD1-CB 3.49Å; N72-S74 PolarHBondContact OD1-N 2.8Å; N72-S74 PolarHBondContact OD1-OG 3.37Å; N72-V281 HydrophobicContact CB-CB 4.43Å; N72-V281 HydrophobicContact CB-CG1 4.42Å; N72-V281 HydrophobicContact CB-CG2 4.06Å; N72-F285 WeakPolarHBondContact ND2-CE2 3.39Å; N72-F285 VanDerWaalsContact ND2-CZ 3.32Å; N72-F285 WeakPolarHBondContact ND2-CZ 3.35Å; N72-G388 WeakPolarHBondContact CB-O 3.38Å; N72-G388 PolarHBondContact ND2-O 3.05Å
73S94.2Very high95.7Very high51 Ų5119.9 Ų19.936%0.35710%0.104SC..  trans-90.915.6-176.455.20000113.7V69V69-S73 PolarHBondContact O-N 2.81Å
74S93.3Very high95.5Very high7 Ų720 Ų205%0.04910%0.104CC..  trans-57.2129.2179.5-71.60000112.2N72 G76 V77 L78 V392 I406 Y408N72-S74 VanDerWaalsContact C-N 3.29Å; N72-S74 PolarHBondContact O-N 2.94Å; N72-S74 WeakPolarHBondContact OD1-CB 3.49Å; N72-S74 PolarHBondContact OD1-N 2.8Å; N72-S74 PolarHBondContact OD1-OG 3.37Å; S74-G76 VanDerWaalsContact C-N 3.3Å; S74-G76 PolarHBondContact O-N 2.92Å; S74-V77 WeakPolarHBondContact O-CB 3.42Å; S74-V77 PolarHBondContact O-N 2.77Å; S74-V77 VanDerWaalsContact O-N 3.07Å; S74-L78 PolarHBondContact O-N 3.38Å; S74-L78 VanDerWaalsContact O-N 3.11Å; S74-V392 WeakPolarHBondContact OG-CG1 3.38Å; S74-I406 WeakPolarHBondContact OG-CD1 3.49Å; S74-Y408 WeakPolarHBondContact CB-OH 3.4Å
75P92Very high95.3Very high76 Ų7616.8 Ų16.849%0.49410%0.102SC..Hα-helixtrans-55-39.5-177.1-28.935.2000114.4V77 L78 K79P75-V77 VanDerWaalsContact C-N 3.35Å; P75-V77 PolarHBondContact O-N 2.77Å; P75-L78 PolarHBondContact O-N 2.99Å; P75-K79 WeakPolarHBondContact O-CB 3.33Å; P75-K79 VanDerWaalsContact O-CG 3.26Å; P75-K79 WeakPolarHBondContact O-CG 3.28Å; P75-K79 PolarHBondContact O-N 2.99Å
76G93.1Very high95.2Very high4 Ų416.3 Ų16.34%0.04110%0.099CC..Hα-helixtrans-62.8-40178.600000112.8S74 V80 Y408S74-G76 VanDerWaalsContact C-N 3.3Å; S74-G76 PolarHBondContact O-N 2.92Å; G76-V80 VanDerWaalsContact O-CG2 3.26Å; G76-V80 WeakPolarHBondContact O-CG2 3.32Å; G76-V80 PolarHBondContact O-N 3.44Å; G76-V80 VanDerWaalsContact O-N 3.09Å; G76-Y408 PolarHBondContact N-OH 3.34Å
77V95.9Very high95.2Very high0 Ų016.4 Ų16.40%010%0.1CC..Hα-helixtrans-64.2-51.9175.7172.80000110.4I49 Y67 S74 P75 K79 V80 L81 V281 F285I49-V77 HydrophobicContact CD1-CB 4.42Å; I49-V77 HydrophobicContact CD1-CG1 4.25Å; I49-V77 HydrophobicContact CD1-CG2 3.94Å; Y67-V77 HydrophobicContact CE1-CG1 4.27Å; S74-V77 WeakPolarHBondContact O-CB 3.42Å; S74-V77 PolarHBondContact O-N 2.77Å; S74-V77 VanDerWaalsContact O-N 3.07Å; P75-V77 VanDerWaalsContact C-N 3.35Å; P75-V77 PolarHBondContact O-N 2.77Å; V77-K79 VanDerWaalsContact C-N 3.32Å; V77-K79 PolarHBondContact O-N 2.9Å; V77-V80 PolarHBondContact O-N 2.87Å; V77-L81 HydrophobicContact CG1-CD1 3.69Å; V77-L81 HydrophobicContact CG1-CG 4.38Å; V77-L81 VanDerWaalsContact O-CG 3.31Å; V77-L81 WeakPolarHBondContact O-CG 3.48Å; V77-L81 PolarHBondContact O-N 3.19Å; V77-V281 HydrophobicContact CG1-CG1 3.63Å; V77-V281 HydrophobicContact CG2-CG1 4.34Å; V77-F285 HydrophobicContact CG2-CE2 3.73Å; V77-F285 HydrophobicContact CG2-CZ 3.56Å
78L96.3Very high95.2Very high0 Ų016.4 Ų16.40%010%0.1CC..Hα-helixtrans-63.1-40-176.6-60.5-178.6000111.7Y67 V69 S74 P75 L81 A82 F88 L98 I102Y67-L78 HydrophobicContact CD1-CD2 3.76Å; Y67-L78 HydrophobicContact CE1-CD2 3.71Å; V69-L78 HydrophobicContact CG1-CD1 4.43Å; V69-L78 HydrophobicContact CG1-CD2 4.27Å; V69-L78 HydrophobicContact CG2-CD2 4.37Å; S74-L78 PolarHBondContact O-N 3.38Å; S74-L78 VanDerWaalsContact O-N 3.11Å; P75-L78 PolarHBondContact O-N 2.99Å; L78-L81 PolarHBondContact O-N 3.42Å; L78-A82 VanDerWaalsContact O-CB 3.27Å; L78-A82 WeakPolarHBondContact O-CB 3.27Å; L78-A82 PolarHBondContact O-N 3.01Å; L78-F88 HydrophobicContact CB-CE1 4.39Å; L78-F88 HydrophobicContact CD2-CD1 4.18Å; L78-F88 HydrophobicContact CD2-CE1 3.72Å; L78-L98 HydrophobicContact CD1-CD1 4.43Å; L78-L98 HydrophobicContact CD1-CD2 3.4Å; L78-L98 HydrophobicContact CD1-CG 3.63Å; L78-I102 HydrophobicContact CB-CD1 3.31Å; L78-I102 HydrophobicContact CD1-CD1 3.77Å; L78-I102 HydrophobicContact CG-CD1 4.2Å
79K95.6Very high95.3Very high53 Ų5316.5 Ų16.523%0.2310%0.1CC..Hα-helixtrans-62.5-47174.9-75.1177.4168.7-166.90112.4Y4 L5 D9 P75 V77 L81 A82 Q83 I102Y4-K79 WeakPolarHBondContact O-CD 3.32Å; Y4-K79 WeakPolarHBondContact O-CG 3.48Å; L5-K79 HydrophobicContact CB-CB 4.45Å; L5-K79 HydrophobicContact CD1-CB 3.74Å; L5-K79 HydrophobicContact CD1-CD 4.1Å; D9-K79 IonicContact OD1-NZ 3.97Å; D9-K79 PolarHBondContact OD1-NZ 3.38Å; D9-K79 IonicContact OD2-NZ 3.74Å; D9-K79 PolarHBondContact OD2-NZ 3.22Å; P75-K79 WeakPolarHBondContact O-CB 3.33Å; P75-K79 VanDerWaalsContact O-CG 3.26Å; P75-K79 WeakPolarHBondContact O-CG 3.28Å; P75-K79 PolarHBondContact O-N 2.99Å; V77-K79 VanDerWaalsContact C-N 3.32Å; V77-K79 PolarHBondContact O-N 2.9Å; K79-L81 PolarHBondContact O-N 2.95Å; K79-A82 PolarHBondContact O-N 3.05Å; K79-Q83 VanDerWaalsContact O-CB 3.3Å; K79-Q83 WeakPolarHBondContact O-CB 3.18Å; K79-Q83 PolarHBondContact O-N 3.2Å; K79-I102 HydrophobicContact CG-CG2 4.31Å
80V96.4Very high95.3Very high0 Ų016.5 Ų16.50%010%0.1CC..Hα-helixtrans-60.5-45.8177.2169.70000111L5 L46 I49 V50 G76 V77 Q83 L84 M410L5-V80 HydrophobicContact CD1-CG2 4.19Å; L5-V80 HydrophobicContact CD2-CB 4.5Å; L5-V80 HydrophobicContact CD2-CG2 3.42Å; L5-V80 VanDerWaalsContact CD2-CG2 3.42Å; L5-V80 HydrophobicContact CG-CG2 4.44Å; L46-V80 HydrophobicContact CB-CG2 4.05Å; L46-V80 HydrophobicContact CD1-CG2 3.74Å; L46-V80 HydrophobicContact CD2-CG2 4.06Å; L46-V80 HydrophobicContact CG-CG2 4.16Å; I49-V80 HydrophobicContact CB-CG1 4.47Å; I49-V80 HydrophobicContact CG2-CG1 4.17Å; V50-V80 HydrophobicContact CG2-CG1 4.07Å; G76-V80 VanDerWaalsContact O-CG2 3.26Å; G76-V80 WeakPolarHBondContact O-CG2 3.32Å; G76-V80 PolarHBondContact O-N 3.44Å; G76-V80 VanDerWaalsContact O-N 3.09Å; V77-V80 PolarHBondContact O-N 2.87Å; V80-Q83 WeakPolarHBondContact O-CB 3.44Å; V80-Q83 PolarHBondContact O-N 2.89Å; V80-L84 HydrophobicContact CG1-CD1 3.9Å; V80-L84 WeakPolarHBondContact O-CG 3.5Å; V80-L84 PolarHBondContact O-N 2.94Å; V80-M410 HydrophobicContact CG2-CE 3.89Å
81L97.1Very high95.5Very high0 Ų013.6 Ų13.60%09%0.092CC..Hα-helixtrans-68-37.7-179.6-66.1174.2000112I49 Y67 V77 L78 K79 Q83 L84 G85 L86 F88 Y280I49-L81 HydrophobicContact CG2-CD2 3.39Å; I49-L81 HydrophobicContact CG2-CG 4.08Å; Y67-L81 HydrophobicContact CD1-CD1 3.69Å; Y67-L81 HydrophobicContact CD2-CD1 3.37Å; Y67-L81 HydrophobicContact CE1-CD1 4.09Å; Y67-L81 HydrophobicContact CE2-CD1 3.82Å; Y67-L81 HydrophobicContact CG-CD1 3.3Å; V77-L81 HydrophobicContact CG1-CD1 3.69Å; V77-L81 HydrophobicContact CG1-CG 4.38Å; V77-L81 VanDerWaalsContact O-CG 3.31Å; V77-L81 WeakPolarHBondContact O-CG 3.48Å; V77-L81 PolarHBondContact O-N 3.19Å; L78-L81 PolarHBondContact O-N 3.42Å; K79-L81 PolarHBondContact O-N 2.95Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 2.91Å; L81-L84 HydrophobicContact CD2-CD1 4.3Å; L81-L84 PolarHBondContact O-N 3.43Å; L81-G85 PolarHBondContact O-N 3.22Å; L81-L86 HydrophobicContact CB-CD1 4.36Å; L81-L86 HydrophobicContact CB-CD2 4.25Å; L81-L86 HydrophobicContact CD2-CD1 4.12Å; L81-L86 HydrophobicContact CD2-CD2 3.79Å; L81-L86 HydrophobicContact CG-CD2 4.45Å; L81-L86 WeakPolarHBondContact O-CB 3.14Å; L81-L86 VanDerWaalsContact O-CD1 3.27Å; L81-L86 WeakPolarHBondContact O-CD1 3.34Å; L81-L86 PolarHBondContact O-N 3.31Å; L81-L86 VanDerWaalsContact O-N 3.13Å; L81-F88 HydrophobicContact CB-CE1 4.36Å; L81-F88 HydrophobicContact CB-CZ 4.12Å; L81-Y280 HydrophobicContact CD2-CD1 3.8Å; L81-Y280 HydrophobicContact CD2-CD2 4.43Å; L81-Y280 HydrophobicContact CD2-CE1 3.97Å; L81-Y280 HydrophobicContact CD2-CG 4.05Å
82A96Very high95.6Very high5 Ų516 Ų164%0.04111%0.105CC..Hα-helixtrans-63.1-39.9171.600000111.3Y4 L78 K79 L84 G85 F88 I102 V104Y4-A82 HydrophobicContact CD1-CB 3.92Å; Y4-A82 HydrophobicContact CD2-CB 3.92Å; Y4-A82 HydrophobicContact CE1-CB 4.27Å; Y4-A82 HydrophobicContact CE2-CB 4.26Å; Y4-A82 WeakPolarHBondContact CE2-O 3.29Å; Y4-A82 HydrophobicContact CG-CB 3.72Å; L78-A82 VanDerWaalsContact O-CB 3.27Å; L78-A82 WeakPolarHBondContact O-CB 3.27Å; L78-A82 PolarHBondContact O-N 3.01Å; K79-A82 PolarHBondContact O-N 3.05Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 2.89Å; A82-G85 WeakPolarHBondContact O-CA 3.15Å; A82-G85 PolarHBondContact O-N 3.23Å; A82-F88 HydrophobicContact CB-CE2 4.06Å; A82-F88 HydrophobicContact CB-CZ 4Å; A82-I102 HydrophobicContact CB-CG2 4.26Å; A82-V104 HydrophobicContact CB-CG2 3.77Å
83Q94.4Very high95.7Very high11 Ų1119.8 Ų19.85%0.05112%0.121CC..Hα-helixtrans-63.1-36.7175.9-165.369.87400113G3 K79 V80 L81 G85 L418 L422G3-Q83 VanDerWaalsContact C-OE1 3.26Å; G3-Q83 VanDerWaalsContact CA-OE1 3.26Å; K79-Q83 VanDerWaalsContact O-CB 3.3Å; K79-Q83 WeakPolarHBondContact O-CB 3.18Å; K79-Q83 PolarHBondContact O-N 3.2Å; V80-Q83 WeakPolarHBondContact O-CB 3.44Å; V80-Q83 PolarHBondContact O-N 2.89Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 2.91Å; Q83-G85 PolarHBondContact O-N 3.21Å; Q83-L418 HydrophobicContact CB-CD1 4.02Å; Q83-L418 HydrophobicContact CB-CD2 4.35Å; Q83-L418 HydrophobicContact CB-CG 4.5Å; Q83-L418 HydrophobicContact CG-CD1 3.7Å; Q83-L418 HydrophobicContact CG-CD2 3.87Å; Q83-L418 HydrophobicContact CG-CG 3.79Å; Q83-L422 HydrophobicContact CG-CD1 3.88Å
84L94.5Very high95.8Very high6 Ų620.3 Ų20.33%0.03113%0.128CC..THydrogen-bonded Turntrans-74.9-3.3172.3-68.3165.8000113.1V50 H53 V80 L81 A82 L86 L418 Q421V50-L84 HydrophobicContact CG1-CD2 4.49Å; V50-L84 HydrophobicContact CG2-CD1 4.35Å; H53-L84 HydrophobicContact CB-CD1 3.86Å; H53-L84 HydrophobicContact CB-CD2 4.46Å; V80-L84 HydrophobicContact CG1-CD1 3.9Å; V80-L84 WeakPolarHBondContact O-CG 3.5Å; V80-L84 PolarHBondContact O-N 2.94Å; L81-L84 HydrophobicContact CD2-CD1 4.3Å; L81-L84 PolarHBondContact O-N 3.43Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 2.89Å; L84-L86 HydrophobicContact CB-CD1 3.51Å; L84-L86 HydrophobicContact CD1-CD1 4.46Å; L84-L418 HydrophobicContact CD2-CD1 3.31Å; L84-L418 HydrophobicContact CG-CD1 3.55Å; L84-Q421 PolarHBondContact O-NE2 2.81Å
85G94.1Very high96Very high32 Ų3221 Ų2133%0.3313%0.131SC..THydrogen-bonded Turntrans86.59.2172.900000115.8L81 A82 Q83 K108L81-G85 PolarHBondContact O-N 3.22Å; A82-G85 WeakPolarHBondContact O-CA 3.15Å; A82-G85 PolarHBondContact O-N 3.23Å; Q83-G85 PolarHBondContact O-N 3.21Å; G85-K108 PolarHBondContact O-NZ 3.48Å
86L96.3Very high96.2Very high4 Ų417.4 Ų17.42%0.02111%0.108CC..  trans-60.7155.6-178.9-78.779.1000113.1P65 L81 L84 Y280P65-L86 HydrophobicContact CB-CD2 4.05Å; P65-L86 HydrophobicContact CB-CG 4.08Å; P65-L86 HydrophobicContact CG-CD2 4.45Å; P65-L86 HydrophobicContact CG-CG 3.95Å; L81-L86 HydrophobicContact CB-CD1 4.36Å; L81-L86 HydrophobicContact CB-CD2 4.25Å; L81-L86 HydrophobicContact CD2-CD1 4.12Å; L81-L86 HydrophobicContact CD2-CD2 3.79Å; L81-L86 HydrophobicContact CG-CD2 4.45Å; L81-L86 WeakPolarHBondContact O-CB 3.14Å; L81-L86 VanDerWaalsContact O-CD1 3.27Å; L81-L86 WeakPolarHBondContact O-CD1 3.34Å; L81-L86 PolarHBondContact O-N 3.31Å; L81-L86 VanDerWaalsContact O-N 3.13Å; L84-L86 HydrophobicContact CB-CD1 3.51Å; L84-L86 HydrophobicContact CD1-CD1 4.46Å; L86-Y280 HydrophobicContact CD2-CD2 4.35Å; L86-Y280 HydrophobicContact CD2-CE1 4.49Å; L86-Y280 HydrophobicContact CD2-CE2 3.56Å
87G98.1Very high96.4Very high3 Ų321 Ų213%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-80.1173.9158.700000112.1P65 F66 Y67 K108P65-G87 PolarHBondContact O-N 3.46Å; F66-G87 CarbonylContact C-O 3.55Å; F66-G87 VanDerWaalsContact CA-O 3.29Å; F66-G87 WeakPolarHBondContact CA-O 3.4Å; Y67-G87 PolarHBondContact N-O 2.96Å; G87-K108 CarbonylContact C-O 3.6Å; G87-K108 WeakPolarHBondContact CA-O 3.37Å
88F98.5Very high96.3Very high1 Ų123.5 Ų23.50%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-132.9127.9178.4-68.7-93.1000111.2Y67 V69 L78 L81 A82 V99 V104 K108 I109 I110Y67-F88 HydrophobicContact CD1-CD1 4.11Å; Y67-F88 HydrophobicContact CD1-CE1 4.11Å; Y67-F88 CarbonylContact O-C 3.02Å; Y67-F88 WeakPolarHBondContact O-CA 3.44Å; V69-F88 HydrophobicContact CG2-CB 4.21Å; V69-F88 HydrophobicContact CG2-CD1 3.85Å; V69-F88 HydrophobicContact CG2-CG 4.5Å; L78-F88 HydrophobicContact CB-CE1 4.39Å; L78-F88 HydrophobicContact CD2-CD1 4.18Å; L78-F88 HydrophobicContact CD2-CE1 3.72Å; L81-F88 HydrophobicContact CB-CE1 4.36Å; L81-F88 HydrophobicContact CB-CZ 4.12Å; A82-F88 HydrophobicContact CB-CE2 4.06Å; A82-F88 HydrophobicContact CB-CZ 4Å; F88-V99 HydrophobicContact CB-CG1 3.86Å; F88-V99 HydrophobicContact CB-CG2 3.99Å; F88-V99 HydrophobicContact CD1-CG1 4.43Å; F88-V99 HydrophobicContact CD1-CG2 3.85Å; F88-V99 HydrophobicContact CD2-CG1 3.78Å; F88-V99 HydrophobicContact CE2-CG1 4.46Å; F88-V99 HydrophobicContact CG-CG1 3.75Å; F88-V99 HydrophobicContact CG-CG2 3.9Å; F88-V104 HydrophobicContact CD2-CB 4.48Å; F88-V104 HydrophobicContact CD2-CG1 3.8Å; F88-V104 HydrophobicContact CD2-CG2 4.09Å; F88-V104 HydrophobicContact CE2-CB 4.48Å; F88-V104 HydrophobicContact CE2-CG1 4.09Å; F88-V104 HydrophobicContact CE2-CG2 3.64Å; F88-V104 HydrophobicContact CZ-CG2 4.4Å; F88-K108 PolarHBondContact N-O 3.46Å; F88-I109 WeakPolarHBondContact O-CA 3.26Å; F88-I110 PolarHBondContact O-N 3.27Å
89S98.1Very high96.4Very high5 Ų523.5 Ų23.54%0.03514%0.136CC..EExtended strand (participates in β ladder)trans-93.2112.6170174.40000109Y67 V69 A112 E275Y67-S89 PolarHBondContact O-N 2.87Å; V69-S89 PolarHBondContact N-O 3.43Å; S89-A112 WeakPolarHBondContact OG-CB 3.31Å; S89-E275 VanDerWaalsContact CB-OE1 3.25Å; S89-E275 WeakPolarHBondContact CB-OE1 3.39Å; S89-E275 PolarHBondContact OG-OE1 3.43Å
90C98.1Very high96.3Very high0 Ų023 Ų230%014%0.135CC..EExtended strand (participates in β ladder)trans-106.8141.4-179.6-62.80000110E95 M96 I109 I110 Y111 A112C90-E95 WeakPolarHBondContact CA-OE2 3.02Å; C90-E95 HydrophobicContact CB-CB 3.97Å; C90-M96 HydrophobicContact CB-CG 3.56Å; C90-I109 HydrophobicContact CB-CG2 4.39Å; C90-I110 PolarHBondContact N-O 2.79Å; C90-Y111 CarbonylContact O-C 3.59Å; C90-Y111 WeakPolarHBondContact O-CA 3.31Å; C90-Y111 WeakPolarHBondContact O-CD2 3.27Å; C90-A112 PolarHBondContact O-N 2.9Å
91A95.6Very high96.3Very high24 Ų2431 Ų3120%0.19817%0.172CC..SBendtrans-108.3-12.5-178.900000113.7E95 Y111 N113A91-E95 PolarHBondContact N-OE2 3.24Å; A91-Y111 WeakPolarHBondContact O-CE2 3.49Å; A91-N113 WeakPolarHBondContact O-CB 3.42Å; A91-N113 PolarHBondContact O-ND2 2.99Å; A91-N113 VanDerWaalsContact O-ND2 3.09Å
92N96.3Very high96.1Very high53 Ų5332.6 Ų32.628%0.28318%0.18SC..SBendtrans-153.7172.9179.863.365.5000112.2A94 E95 M96 Q120N92-A94 PolarHBondContact O-N 2.85Å; N92-A94 WeakPolarHBondContact OD1-CB 3.47Å; N92-A94 PolarHBondContact OD1-N 2.78Å; N92-E95 PolarHBondContact ND2-OE1 2.78Å; N92-E95 PolarHBondContact O-N 2.9Å; N92-E95 PolarHBondContact OD1-N 3.49Å; N92-M96 PolarHBondContact O-N 3.49Å; N92-Q120 VanDerWaalsContact CA-OE1 3.24Å
93K96.6Very high96Very high81 Ų8134.6 Ų34.635%0.35220%0.201SC..Hα-helixtrans-57.2-43.5178.6179.7-172.9166.5-157.70113.7E95 M96 E97 Q120 Y123K93-E95 VanDerWaalsContact C-N 3.31Å; K93-E95 PolarHBondContact O-N 3.23Å; K93-M96 HydrophobicContact CB-CE 4.45Å; K93-M96 PolarHBondContact O-N 2.86Å; K93-E97 WeakPolarHBondContact CE-OE1 3.47Å; K93-E97 WeakPolarHBondContact CE-OE2 3.46Å; K93-E97 HydrophobicContact CG-CG 4.43Å; K93-E97 IonicContact NZ-OE1 3.04Å; K93-E97 PolarHBondContact NZ-OE1 2.97Å; K93-E97 IonicContact NZ-OE2 2.81Å; K93-E97 PolarHBondContact O-N 3.27Å; K93-Q120 HydrophobicContact CB-CG 3.97Å; K93-Y123 HydrophobicContact CD-CD2 3.98Å; K93-Y123 HydrophobicContact CD-CE2 4.47Å; K93-Y123 HydrophobicContact CD-CG 4.25Å; K93-Y123 VanDerWaalsContact CE-CD2 3.46Å; K93-Y123 HydrophobicContact CG-CD1 4.18Å; K93-Y123 HydrophobicContact CG-CD2 4Å; K93-Y123 HydrophobicContact CG-CE1 4.5Å; K93-Y123 HydrophobicContact CG-CE2 4.27Å; K93-Y123 HydrophobicContact CG-CG 3.96Å
94A95.8Very high96.1Very high61 Ų6134.4 Ų34.450%0.50420%0.2SC..Hα-helixtrans-64.8-38.2-17600000111.5N92 E97 L98N92-A94 PolarHBondContact O-N 2.85Å; N92-A94 WeakPolarHBondContact OD1-CB 3.47Å; N92-A94 PolarHBondContact OD1-N 2.78Å; A94-E97 PolarHBondContact O-N 2.88Å; A94-L98 VanDerWaalsContact O-CB 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.35Å; A94-L98 PolarHBondContact O-N 3.37Å
95E96.9Very high96.2Very high23 Ų2336.7 Ų36.711%0.10722%0.216CC..Hα-helixtrans-65.1-42.5174.2-67.4174-159.200111.9V69 C90 A91 N92 K93 L98 V99V69-E95 HydrophobicContact CB-CB 4.16Å; V69-E95 HydrophobicContact CB-CG 4.08Å; V69-E95 HydrophobicContact CG1-CB 3.93Å; V69-E95 HydrophobicContact CG1-CG 3.72Å; C90-E95 WeakPolarHBondContact CA-OE2 3.02Å; C90-E95 HydrophobicContact CB-CB 3.97Å; A91-E95 PolarHBondContact N-OE2 3.24Å; N92-E95 PolarHBondContact ND2-OE1 2.78Å; N92-E95 PolarHBondContact O-N 2.9Å; N92-E95 PolarHBondContact OD1-N 3.49Å; K93-E95 VanDerWaalsContact C-N 3.31Å; K93-E95 PolarHBondContact O-N 3.23Å; E95-L98 PolarHBondContact O-N 2.8Å; E95-V99 WeakPolarHBondContact O-CG2 3.47Å; E95-V99 PolarHBondContact O-N 2.59Å
96M97.4Very high96.3Very high0 Ų036.2 Ų36.20%021%0.209CC..Hα-helixtrans-63.1-43.5175.3-67.4-174.1-70.900111.8C90 N92 K93 Q100 Y111 Y123 A124 I129C90-M96 HydrophobicContact CB-CG 3.56Å; N92-M96 PolarHBondContact O-N 3.49Å; K93-M96 HydrophobicContact CB-CE 4.45Å; K93-M96 PolarHBondContact O-N 2.86Å; M96-Q100 WeakPolarHBondContact O-CB 3.47Å; M96-Q100 VanDerWaalsContact O-CG 3.25Å; M96-Q100 WeakPolarHBondContact O-CG 3.34Å; M96-Q100 PolarHBondContact O-N 3.11Å; M96-Y111 HydrophobicContact CE-CD1 3.9Å; M96-Y111 HydrophobicContact CE-CE1 3.77Å; M96-Y111 HydrophobicContact CE-CG 4.35Å; M96-Y111 HydrophobicContact SD-CD1 3.94Å; M96-Y111 HydrophobicContact SD-CE1 4.41Å; M96-Y111 HydrophobicContact SD-CG 4Å; M96-Y123 HydrophobicContact CB-CE1 3.97Å; M96-Y123 HydrophobicContact CE-CD1 3.84Å; M96-Y123 HydrophobicContact CE-CE1 4.41Å; M96-A124 HydrophobicContact SD-CB 4.25Å; M96-I129 HydrophobicContact CB-CD1 3.99Å; M96-I129 HydrophobicContact CG-CD1 3.85Å; M96-I129 HydrophobicContact SD-CD1 3.4Å; M96-I129 WeakPolarHBondContact SD-CD1 3.12Å
97E96.5Very high96.3Very high79 Ų7940.6 Ų40.637%0.36924%0.24SC..Hα-helixtrans-59.8-45.6175.1-80.7176.3155.300111.2K93 A94 Q100 H101 Y123K93-E97 WeakPolarHBondContact CE-OE1 3.47Å; K93-E97 WeakPolarHBondContact CE-OE2 3.46Å; K93-E97 HydrophobicContact CG-CG 4.43Å; K93-E97 IonicContact NZ-OE1 3.04Å; K93-E97 PolarHBondContact NZ-OE1 2.97Å; K93-E97 IonicContact NZ-OE2 2.81Å; K93-E97 PolarHBondContact O-N 3.27Å; A94-E97 PolarHBondContact O-N 2.88Å; E97-Q100 PolarHBondContact O-N 3.02Å; E97-H101 VanDerWaalsContact O-CB 3.25Å; E97-H101 WeakPolarHBondContact O-CB 3.3Å; E97-H101 PolarHBondContact O-N 3.3Å; E97-Y123 HydrophobicContact CG-CE1 4.35Å; E97-Y123 HydrophobicContact CG-CE2 3.81Å; E97-Y123 VanDerWaalsContact CG-CZ 3.49Å; E97-Y123 WeakPolarHBondContact CG-OH 3.4Å
98L94.8Very high96.3Very high52 Ų5243.6 Ų43.627%0.27225%0.252SS..Hα-helixtrans-61.5-49.1-179.7-179.961.1000112.1L78 A94 E95 H101 I102L78-L98 HydrophobicContact CD1-CD1 4.43Å; L78-L98 HydrophobicContact CD1-CD2 3.4Å; L78-L98 HydrophobicContact CD1-CG 3.63Å; A94-L98 VanDerWaalsContact O-CB 3.31Å; A94-L98 WeakPolarHBondContact O-CB 3.35Å; A94-L98 PolarHBondContact O-N 3.37Å; E95-L98 PolarHBondContact O-N 2.8Å; L98-H101 PolarHBondContact O-N 3.29Å; L98-I102 WeakPolarHBondContact O-CG1 3.34Å; L98-I102 PolarHBondContact O-N 3.49Å
99V96.4Very high96.3Very high0 Ų043.6 Ų43.60%025%0.252CS..Hα-helixtrans-65-41.1179.6170.10000111.4V69 F88 E95 I102 V104 I109V69-V99 HydrophobicContact CG2-CG2 3.66Å; F88-V99 HydrophobicContact CB-CG1 3.86Å; F88-V99 HydrophobicContact CB-CG2 3.99Å; F88-V99 HydrophobicContact CD1-CG1 4.43Å; F88-V99 HydrophobicContact CD1-CG2 3.85Å; F88-V99 HydrophobicContact CD2-CG1 3.78Å; F88-V99 HydrophobicContact CE2-CG1 4.46Å; F88-V99 HydrophobicContact CG-CG1 3.75Å; F88-V99 HydrophobicContact CG-CG2 3.9Å; E95-V99 WeakPolarHBondContact O-CG2 3.47Å; E95-V99 PolarHBondContact O-N 2.59Å; V99-I102 PolarHBondContact O-N 3.05Å; V99-V104 HydrophobicContact CG1-CB 3.57Å; V99-V104 HydrophobicContact CG1-CG1 3.75Å; V99-V104 HydrophobicContact CG1-CG2 3.91Å; V99-V104 WeakPolarHBondContact O-CB 3.46Å; V99-V104 PolarHBondContact O-N 3.45Å; V99-I109 HydrophobicContact CB-CD1 4.41Å; V99-I109 HydrophobicContact CG1-CD1 3.77Å; V99-I109 HydrophobicContact CG1-CG1 3.98Å
100Q95.5Very high96.3Very high42 Ų4243.4 Ų43.420%0.19625%0.251CS..Hα-helixtrans-67.5-35.6175.9-72.8-174.9-34.400112.6M96 E97 I102 G103 I109 Y123 H127M96-Q100 WeakPolarHBondContact O-CB 3.47Å; M96-Q100 VanDerWaalsContact O-CG 3.25Å; M96-Q100 WeakPolarHBondContact O-CG 3.34Å; M96-Q100 PolarHBondContact O-N 3.11Å; E97-Q100 PolarHBondContact O-N 3.02Å; Q100-I102 VanDerWaalsContact C-N 3.26Å; Q100-I102 PolarHBondContact O-N 3.4Å; Q100-G103 WeakPolarHBondContact O-CA 3.3Å; Q100-G103 PolarHBondContact O-N 2.79Å; Q100-I109 HydrophobicContact CG-CD1 3.74Å; Q100-Y123 PolarHBondContact OE1-OH 2.86Å; Q100-Y123 VanDerWaalsContact OE1-OH 3.06Å; Q100-H127 PolarHBondContact NE2-O 3.1Å
101H94.5Very high96.3Very high170 Ų17043.4 Ų43.479%0.78725%0.251SS*.Hα-helixtrans-63.9-32.4176.6-173.675.9000112.5E97 L98 G103E97-H101 VanDerWaalsContact O-CB 3.25Å; E97-H101 WeakPolarHBondContact O-CB 3.3Å; E97-H101 PolarHBondContact O-N 3.3Å; L98-H101 PolarHBondContact O-N 3.29Å; H101-G103 PolarHBondContact O-N 3.14Å
102I93.2Very high96.3Very high33 Ų3343.1 Ų43.117%0.16925%0.248CC..THydrogen-bonded Turntrans-67.4-17.7172.4-66.8167.4000111.6Y4 L78 K79 A82 L98 V99 Q100 V104Y4-I102 HydrophobicContact CD1-CG2 3.85Å; Y4-I102 WeakPolarHBondContact CD1-O 3.28Å; L78-I102 HydrophobicContact CB-CD1 3.31Å; L78-I102 HydrophobicContact CD1-CD1 3.77Å; L78-I102 HydrophobicContact CG-CD1 4.2Å; K79-I102 HydrophobicContact CG-CG2 4.31Å; A82-I102 HydrophobicContact CB-CG2 4.26Å; L98-I102 WeakPolarHBondContact O-CG1 3.34Å; L98-I102 PolarHBondContact O-N 3.49Å; V99-I102 PolarHBondContact O-N 3.05Å; Q100-I102 VanDerWaalsContact C-N 3.26Å; Q100-I102 PolarHBondContact O-N 3.4Å; I102-V104 HydrophobicContact CG2-CG2 4.36Å
103G94.4Very high96.3Very high46 Ų4642.5 Ų42.547%0.47425%0.245SC..THydrogen-bonded Turntrans101.39.7179.100000114Q100 H101Q100-G103 WeakPolarHBondContact O-CA 3.3Å; Q100-G103 PolarHBondContact O-N 2.79Å; H101-G103 PolarHBondContact O-N 3.14Å
104V96.2Very high96.2Very high7 Ų739.2 Ų39.24%0.04223%0.232CC..  trans-69.1130.7178.3176.10000109.9Y4 A82 F88 V99 I102 K108 I109Y4-V104 HydrophobicContact CE1-CG2 4.39Å; A82-V104 HydrophobicContact CB-CG2 3.77Å; F88-V104 HydrophobicContact CD2-CB 4.48Å; F88-V104 HydrophobicContact CD2-CG1 3.8Å; F88-V104 HydrophobicContact CD2-CG2 4.09Å; F88-V104 HydrophobicContact CE2-CB 4.48Å; F88-V104 HydrophobicContact CE2-CG1 4.09Å; F88-V104 HydrophobicContact CE2-CG2 3.64Å; F88-V104 HydrophobicContact CZ-CG2 4.4Å; V99-V104 HydrophobicContact CG1-CB 3.57Å; V99-V104 HydrophobicContact CG1-CG1 3.75Å; V99-V104 HydrophobicContact CG1-CG2 3.91Å; V99-V104 WeakPolarHBondContact O-CB 3.46Å; V99-V104 PolarHBondContact O-N 3.45Å; I102-V104 HydrophobicContact CG2-CG2 4.36Å; V104-K108 HydrophobicContact CG1-CB 3.94Å; V104-I109 HydrophobicContact CG1-CG1 4.39Å
105P96.6Very high96.2Very high54 Ų5439.2 Ų39.235%0.35123%0.227SC..  trans-69.2147-179.228.6-35.4000111.7S107 K108P105-S107 PolarHBondContact O-N 2.92Å; P105-S107 VanDerWaalsContact O-N 3.09Å; P105-K108 HydrophobicContact CG-CB 4.26Å; P105-K108 HydrophobicContact CG-CD 4.14Å; P105-K108 HydrophobicContact CG-CG 4.02Å; P105-K108 PolarHBondContact O-N 3.38Å
106A97.1Very high96.2Very high22 Ų2238.4 Ų38.418%0.18222%0.223CC..G310 helixtrans-60.1-23.9-179.300000114.1K108 I109 H127 G128 I129A106-K108 PolarHBondContact O-N 3.21Å; A106-I109 PolarHBondContact O-N 3.02Å; A106-H127 VanDerWaalsContact CB-O 3.28Å; A106-H127 WeakPolarHBondContact CB-O 3.37Å; A106-G128 WeakPolarHBondContact CB-O 3.33Å; A106-I129 HydrophobicContact CB-CG1 3.98Å
107S96.4Very high96.2Very high97 Ų9744.5 Ų44.568%0.67825%0.252SS*.G310 helixtrans-66.7-18.5173.955.40000113.7P105P105-S107 PolarHBondContact O-N 2.92Å; P105-S107 VanDerWaalsContact O-N 3.09Å
108K97.4Very high96.3Very high65 Ų6544.8 Ų44.828%0.28326%0.255SS..G310 helixtrans-9813.1175.1-72.2-166.3177.7-166.60112.7F66 G85 G87 F88 V104 P105 A106F66-K108 WeakPolarHBondContact CE1-O 3.27Å; G85-K108 PolarHBondContact O-NZ 3.48Å; G87-K108 CarbonylContact C-O 3.6Å; G87-K108 WeakPolarHBondContact CA-O 3.37Å; F88-K108 PolarHBondContact N-O 3.46Å; V104-K108 HydrophobicContact CG1-CB 3.94Å; P105-K108 HydrophobicContact CG-CB 4.26Å; P105-K108 HydrophobicContact CG-CD 4.14Å; P105-K108 HydrophobicContact CG-CG 4.02Å; P105-K108 PolarHBondContact O-N 3.38Å; A106-K108 PolarHBondContact O-N 3.21Å
109I98.5Very high96.4Very high2 Ų245.6 Ų45.61%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-116.4129.1-179.8-56.3176.7000110.1F88 C90 V99 Q100 V104 A106 I129F88-I109 WeakPolarHBondContact O-CA 3.26Å; C90-I109 HydrophobicContact CB-CG2 4.39Å; V99-I109 HydrophobicContact CB-CD1 4.41Å; V99-I109 HydrophobicContact CG1-CD1 3.77Å; V99-I109 HydrophobicContact CG1-CG1 3.98Å; Q100-I109 HydrophobicContact CG-CD1 3.74Å; V104-I109 HydrophobicContact CG1-CG1 4.39Å; A106-I109 PolarHBondContact O-N 3.02Å; I109-I129 HydrophobicContact CB-CD1 4.5Å; I109-I129 HydrophobicContact CB-CG1 4.35Å; I109-I129 HydrophobicContact CB-CG2 4.35Å; I109-I129 HydrophobicContact CD1-CD1 4.21Å; I109-I129 HydrophobicContact CD1-CG1 4.43Å; I109-I129 HydrophobicContact CG2-CD1 4.04Å; I109-I129 HydrophobicContact CG2-CG1 4.34Å; I109-I129 HydrophobicContact CG2-CG2 4.06Å
110I98.4Very high96.5Very high1 Ų147 Ų471%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-107.8130.2164.5-174.7170.8000109F66 F88 C90 A112 L131F66-I110 HydrophobicContact CD1-CB 4.46Å; F66-I110 HydrophobicContact CD1-CG2 3.73Å; F66-I110 HydrophobicContact CE1-CB 4.44Å; F66-I110 HydrophobicContact CE1-CG2 4.19Å; F88-I110 PolarHBondContact O-N 3.27Å; C90-I110 PolarHBondContact N-O 2.79Å; I110-A112 HydrophobicContact CG1-CB 4.4Å; I110-A112 HydrophobicContact CG2-CB 4.41Å; I110-A112 PolarHBondContact O-N 2.98Å; I110-L131 HydrophobicContact CB-CB 4.41Å; I110-L131 HydrophobicContact CG1-CB 4.12Å
111Y98.3Very high96.6Very high0 Ų045 Ų450%027%0.267CS..EExtended strand (participates in β ladder)trans-90.385171-172.6-175000109C90 A91 M96 N113 K116 Q120 A124 L131 L132 S133C90-Y111 CarbonylContact O-C 3.59Å; C90-Y111 WeakPolarHBondContact O-CA 3.31Å; C90-Y111 WeakPolarHBondContact O-CD2 3.27Å; A91-Y111 WeakPolarHBondContact O-CE2 3.49Å; M96-Y111 HydrophobicContact CE-CD1 3.9Å; M96-Y111 HydrophobicContact CE-CE1 3.77Å; M96-Y111 HydrophobicContact CE-CG 4.35Å; M96-Y111 HydrophobicContact SD-CD1 3.94Å; M96-Y111 HydrophobicContact SD-CE1 4.41Å; M96-Y111 HydrophobicContact SD-CG 4Å; Y111-N113 VanDerWaalsContact C-N 3.28Å; Y111-N113 HydrophobicContact CD2-CB 4.13Å; Y111-N113 HydrophobicContact CE2-CB 3.66Å; Y111-N113 PolarHBondContact O-N 3.48Å; Y111-K116 HydrophobicContact CD1-CD 3.5Å; Y111-K116 HydrophobicContact CD1-CG 4.38Å; Y111-K116 HydrophobicContact CD2-CD 4.11Å; Y111-K116 HydrophobicContact CE1-CB 4.21Å; Y111-K116 HydrophobicContact CE1-CD 3.31Å; Y111-K116 HydrophobicContact CE1-CG 3.74Å; Y111-K116 HydrophobicContact CE2-CD 3.93Å; Y111-K116 HydrophobicContact CE2-CG 3.9Å; Y111-K116 HydrophobicContact CG-CD 3.92Å; Y111-K116 VanDerWaalsContact CZ-CG 3.46Å; Y111-K116 WeakPolarHBondContact OH-CG 3.21Å; Y111-Q120 HydrophobicContact CE1-CB 4.1Å; Y111-Q120 VanDerWaalsContact OH-CB 3.32Å; Y111-Q120 WeakPolarHBondContact OH-CB 3.45Å; Y111-Q120 PolarHBondContact OH-OE1 3.33Å; Y111-A124 HydrophobicContact CD1-CB 4.11Å; Y111-L131 PolarHBondContact N-O 2.8Å; Y111-L132 HydrophobicContact CD1-CG 4.33Å; Y111-S133 PolarHBondContact O-N 3.34Å
112A95.8Very high96.8Very high18 Ų1842.7 Ų42.715%0.14925%0.254CS..  trans-83.47.9-165.500000115.6S89 C90 I110 P114 S133 E275S89-A112 WeakPolarHBondContact OG-CB 3.31Å; C90-A112 PolarHBondContact O-N 2.9Å; I110-A112 HydrophobicContact CG1-CB 4.4Å; I110-A112 HydrophobicContact CG2-CB 4.41Å; I110-A112 PolarHBondContact O-N 2.98Å; A112-P114 VanDerWaalsContact O-CD 3.29Å; A112-P114 WeakPolarHBondContact O-CD 3.33Å; A112-S133 WeakPolarHBondContact CA-OG 2.94Å; A112-E275 WeakPolarHBondContact CB-OE1 3.39Å
113N96Very high97.1Very high39 Ų3942.5 Ų42.521%0.20925%0.252CS..  trans-80.2119174.4-176.1-13000109.8A91 Y111 C115 K116A91-N113 WeakPolarHBondContact O-CB 3.42Å; A91-N113 PolarHBondContact O-ND2 2.99Å; A91-N113 VanDerWaalsContact O-ND2 3.09Å; Y111-N113 VanDerWaalsContact C-N 3.28Å; Y111-N113 HydrophobicContact CD2-CB 4.13Å; Y111-N113 HydrophobicContact CE2-CB 3.66Å; Y111-N113 PolarHBondContact O-N 3.48Å; N113-C115 VanDerWaalsContact C-N 3.25Å; N113-C115 PolarHBondContact O-N 3.49Å; N113-C115 PolarHBondContact OD1-N 3.42Å; N113-C115 PolarHBondContact OD1-O 3.46Å; N113-K116 HydrophobicContact CB-CG 4.08Å; N113-K116 VanDerWaalsContact O-CD 3.29Å; N113-K116 WeakPolarHBondContact O-CD 3.44Å; N113-K116 WeakPolarHBondContact O-CG 3.42Å; N113-K116 PolarHBondContact O-NZ 3.14Å
114P94.4Very high97.3Very high12 Ų1240.3 Ų40.38%0.07823%0.229CC..SBendtrans-67.3-24.8179.3-2134.7000113.5A112 K116 D135 E139 C155 F171A112-P114 VanDerWaalsContact O-CD 3.29Å; A112-P114 WeakPolarHBondContact O-CD 3.33Å; P114-K116 PolarHBondContact O-NZ 3.2Å; P114-D135 HydrophobicContact CB-CB 4.21Å; P114-D135 VanDerWaalsContact CB-CG 3.46Å; P114-D135 WeakPolarHBondContact CB-OD2 3.38Å; P114-E139 WeakPolarHBondContact O-CG 3.35Å; P114-C155 HydrophobicContact CG-CB 4.5Å; P114-F171 HydrophobicContact CB-CD1 4.18Å; P114-F171 HydrophobicContact CG-CD1 3.86Å; P114-F171 HydrophobicContact CG-CE1 4.41Å; P114-F171 HydrophobicContact CG-CG 4.38Å
115C95.4Very high97.3Very high61 Ų6141.6 Ų41.641%0.41224%0.24SC..SBendtrans-122.289.5-171.8-71.70000111.8N113N113-C115 VanDerWaalsContact C-N 3.25Å; N113-C115 PolarHBondContact O-N 3.49Å; N113-C115 PolarHBondContact OD1-N 3.42Å; N113-C115 PolarHBondContact OD1-O 3.46Å
116K96.9Very high97.4Very high6 Ų647.3 Ų47.33%0.02626%0.26CS..  trans-105.2148.6-167.7-59.8164.9-73.7-52.40112.9Y111 N113 P114 I121 L132 S133 E139 K142Y111-K116 HydrophobicContact CD1-CD 3.5Å; Y111-K116 HydrophobicContact CD1-CG 4.38Å; Y111-K116 HydrophobicContact CD2-CD 4.11Å; Y111-K116 HydrophobicContact CE1-CB 4.21Å; Y111-K116 HydrophobicContact CE1-CD 3.31Å; Y111-K116 HydrophobicContact CE1-CG 3.74Å; Y111-K116 HydrophobicContact CE2-CD 3.93Å; Y111-K116 HydrophobicContact CE2-CG 3.9Å; Y111-K116 HydrophobicContact CG-CD 3.92Å; Y111-K116 VanDerWaalsContact CZ-CG 3.46Å; Y111-K116 WeakPolarHBondContact OH-CG 3.21Å; N113-K116 HydrophobicContact CB-CG 4.08Å; N113-K116 VanDerWaalsContact O-CD 3.29Å; N113-K116 WeakPolarHBondContact O-CD 3.44Å; N113-K116 WeakPolarHBondContact O-CG 3.42Å; N113-K116 PolarHBondContact O-NZ 3.14Å; P114-K116 PolarHBondContact O-NZ 3.2Å; K116-I121 HydrophobicContact CB-CD1 3.98Å; K116-I121 HydrophobicContact CB-CG1 3.67Å; K116-I121 HydrophobicContact CD-CG1 4.26Å; K116-L132 HydrophobicContact CD-CD2 4.49Å; K116-S133 PolarHBondContact NZ-O 2.79Å; K116-E139 VanDerWaalsContact CB-OE1 3.27Å; K116-E139 WeakPolarHBondContact CB-OE1 3.48Å; K116-E139 WeakPolarHBondContact CE-OE1 3.34Å; K116-E139 PolarHBondContact N-OE1 2.87Å; K116-E139 PolarHBondContact N-OE2 2.96Å; K116-E139 IonicContact NZ-OE1 3.37Å; K116-E139 PolarHBondContact NZ-OE1 3.37Å; K116-K142 PolarHBondContact O-NZ 3.29Å
117Q97.5Very high97.4Very high128 Ų12849.2 Ų49.260%0.59827%0.265SS*.  trans-71.7139.3167-70.3-178.8-33.500110.2A119 Q120 I121Q117-A119 PolarHBondContact O-N 2.94Å; Q117-A119 VanDerWaalsContact O-N 3.17Å; Q117-Q120 HydrophobicContact CB-CG 4.08Å; Q117-Q120 PolarHBondContact O-N 3.24Å; Q117-I121 PolarHBondContact O-N 3.47Å; Q117-I121 VanDerWaalsContact O-N 3.08Å
118I98Very high97.5Very high85 Ų8546.2 Ų46.244%0.43625%0.249SC..Hα-helixtrans-53.6-40.3179.7-68171000111.9Q120 I121 K122 K142I118-Q120 VanDerWaalsContact C-N 3.27Å; I118-Q120 PolarHBondContact O-N 2.98Å; I118-I121 PolarHBondContact O-N 3.42Å; I118-K122 HydrophobicContact CG2-CD 4.38Å; I118-K122 WeakPolarHBondContact O-CG 3.29Å; I118-K122 PolarHBondContact O-N 3.16Å; I118-K142 HydrophobicContact CD1-CD 4.42Å; I118-K142 HydrophobicContact CD1-CG 4.21Å; I118-K142 HydrophobicContact CG1-CB 4.31Å; I118-K142 HydrophobicContact CG1-CD 3.82Å; I118-K142 HydrophobicContact CG1-CG 3.86Å
119A97.9Very high97.5Very high69 Ų6943.1 Ų43.157%0.5724%0.235SC*.Hα-helixtrans-60.6-36.5177.900000112.6Q117 Y123Q117-A119 PolarHBondContact O-N 2.94Å; Q117-A119 VanDerWaalsContact O-N 3.17Å; A119-Y123 PolarHBondContact O-N 3.47Å
120Q98.1Very high97.5Very high31 Ų3146.3 Ų46.315%0.14525%0.25CS..Hα-helixtrans-76.7-33.7178.5-56.6-170.133.400111.7N92 K93 Y111 Q117 I118 Y123 A124N92-Q120 VanDerWaalsContact CA-OE1 3.24Å; K93-Q120 HydrophobicContact CB-CG 3.97Å; Y111-Q120 HydrophobicContact CE1-CB 4.1Å; Y111-Q120 VanDerWaalsContact OH-CB 3.32Å; Y111-Q120 WeakPolarHBondContact OH-CB 3.45Å; Y111-Q120 PolarHBondContact OH-OE1 3.33Å; Q117-Q120 HydrophobicContact CB-CG 4.08Å; Q117-Q120 PolarHBondContact O-N 3.24Å; I118-Q120 VanDerWaalsContact C-N 3.27Å; I118-Q120 PolarHBondContact O-N 2.98Å; Q120-Y123 WeakPolarHBondContact O-CB 3.27Å; Q120-Y123 PolarHBondContact O-N 3.06Å; Q120-A124 PolarHBondContact O-N 3.49Å
121I98.4Very high97.5Very high0 Ų047.8 Ų47.80%026%0.258CS..Hα-helixtrans-62.2-44.8171.2-59.2174.4000110.5K116 Q117 I118 Y123 A124 A125 L132 K142 V143 H147K116-I121 HydrophobicContact CB-CD1 3.98Å; K116-I121 HydrophobicContact CB-CG1 3.67Å; K116-I121 HydrophobicContact CD-CG1 4.26Å; Q117-I121 PolarHBondContact O-N 3.47Å; Q117-I121 VanDerWaalsContact O-N 3.08Å; I118-I121 PolarHBondContact O-N 3.42Å; I121-Y123 VanDerWaalsContact C-N 3.3Å; I121-Y123 PolarHBondContact O-N 3.09Å; I121-A124 PolarHBondContact O-N 3.48Å; I121-A125 PolarHBondContact O-N 2.97Å; I121-L132 HydrophobicContact CG2-CD2 4.24Å; I121-K142 HydrophobicContact CD1-CB 3.77Å; I121-K142 HydrophobicContact CD1-CD 4.48Å; I121-V143 HydrophobicContact CD1-CG2 4.44Å; I121-V143 HydrophobicContact CG2-CG2 4.49Å; I121-H147 HydrophobicContact CG2-CB 3.69Å
122K98.4Very high97.5Very high121 Ų12147.8 Ų47.853%0.52626%0.258SS..Hα-helixtrans-63-36.8175-70.9-178.7177.4-176.90112.4I118 A125 K126I118-K122 HydrophobicContact CG2-CD 4.38Å; I118-K122 WeakPolarHBondContact O-CG 3.29Å; I118-K122 PolarHBondContact O-N 3.16Å; K122-A125 PolarHBondContact O-N 3.28Å; K122-K126 WeakPolarHBondContact O-CB 2.87Å; K122-K126 PolarHBondContact O-N 3.4Å
123Y98.3Very high97.6Very high29 Ų2947 Ų4711%0.11425%0.252CS..Hα-helixtrans-61.3-48.9173.8178.6-82.5000111K93 M96 E97 Q100 A119 Q120 I121 A125 K126 H127K93-Y123 HydrophobicContact CD-CD2 3.98Å; K93-Y123 HydrophobicContact CD-CE2 4.47Å; K93-Y123 HydrophobicContact CD-CG 4.25Å; K93-Y123 VanDerWaalsContact CE-CD2 3.46Å; K93-Y123 HydrophobicContact CG-CD1 4.18Å; K93-Y123 HydrophobicContact CG-CD2 4Å; K93-Y123 HydrophobicContact CG-CE1 4.5Å; K93-Y123 HydrophobicContact CG-CE2 4.27Å; K93-Y123 HydrophobicContact CG-CG 3.96Å; M96-Y123 HydrophobicContact CB-CE1 3.97Å; M96-Y123 HydrophobicContact CE-CD1 3.84Å; M96-Y123 HydrophobicContact CE-CE1 4.41Å; E97-Y123 HydrophobicContact CG-CE1 4.35Å; E97-Y123 HydrophobicContact CG-CE2 3.81Å; E97-Y123 VanDerWaalsContact CG-CZ 3.49Å; E97-Y123 WeakPolarHBondContact CG-OH 3.4Å; Q100-Y123 PolarHBondContact OE1-OH 2.86Å; Q100-Y123 VanDerWaalsContact OE1-OH 3.06Å; A119-Y123 PolarHBondContact O-N 3.47Å; Q120-Y123 WeakPolarHBondContact O-CB 3.27Å; Q120-Y123 PolarHBondContact O-N 3.06Å; I121-Y123 VanDerWaalsContact C-N 3.3Å; I121-Y123 PolarHBondContact O-N 3.09Å; Y123-A125 VanDerWaalsContact C-N 3.32Å; Y123-A125 PolarHBondContact O-N 3.38Å; Y123-K126 PolarHBondContact O-N 2.94Å; Y123-H127 AromaticContact CD1-ND1 3.84Å; Y123-H127 AromaticContact CD2-CE1 3.45Å; Y123-H127 VanDerWaalsContact CD2-CE1 3.45Å; Y123-H127 WeakPolarHBondContact CD2-CE1 3.5Å; Y123-H127 AromaticContact CD2-ND1 3.67Å; Y123-H127 HydrophobicContact CE1-CB 4.46Å; Y123-H127 AromaticContact CE1-ND1 3.61Å; Y123-H127 AromaticContact CE2-CE1 3.09Å; Y123-H127 WeakPolarHBondContact CE2-CE1 3.39Å; Y123-H127 AromaticContact CE2-ND1 3.49Å; Y123-H127 WeakPolarHBondContact CE2-ND1 3.44Å; Y123-H127 AromaticContact CE2-NE2 3.79Å; Y123-H127 AromaticContact CG-ND1 3.83Å; Y123-H127 AromaticContact CZ-CE1 3.4Å; Y123-H127 AromaticContact CZ-CG 3.86Å; Y123-H127 AromaticContact CZ-ND1 3.41Å; Y123-H127 AromaticContact CZ-NE2 3.87Å; Y123-H127 PolarHBondContact O-N 3.13Å; Y123-H127 VanDerWaalsContact O-N 3.1Å; Y123-H127 PolarHBondContact O-ND1 2.77Å
124A98.3Very high97.7Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-57.5-45177.500000111.6M96 Y111 Q120 I121 K126 H127 G128 I129M96-A124 HydrophobicContact SD-CB 4.25Å; Y111-A124 HydrophobicContact CD1-CB 4.11Å; Q120-A124 PolarHBondContact O-N 3.49Å; I121-A124 PolarHBondContact O-N 3.48Å; A124-K126 PolarHBondContact O-N 2.88Å; A124-H127 CarbonylContact O-C 3.56Å; A124-H127 PolarHBondContact O-N 3.05Å; A124-G128 PolarHBondContact O-N 2.91Å; A124-G128 VanDerWaalsContact O-N 3.13Å; A124-I129 HydrophobicContact CB-CB 4.07Å; A124-I129 HydrophobicContact CB-CG2 4.44Å; A124-I129 PolarHBondContact O-N 3.19Å
125A98.1Very high97.8Very high33 Ų3345.6 Ų45.627%0.27324%0.243SC..Hα-helixtrans-58.2-48.7175.100000112.5I121 K122 Y123 H127 G128 H147I121-A125 PolarHBondContact O-N 2.97Å; K122-A125 PolarHBondContact O-N 3.28Å; Y123-A125 VanDerWaalsContact C-N 3.32Å; Y123-A125 PolarHBondContact O-N 3.38Å; A125-H127 PolarHBondContact O-N 2.83Å; A125-G128 PolarHBondContact O-N 2.79Å; A125-H147 HydrophobicContact CB-CB 3.84Å; A125-H147 VanDerWaalsContact CB-CG 3.47Å
126K98Very high97.7Very high174 Ų17444.7 Ų44.776%0.75723%0.234SC*.Hα-helixtrans-60.9-32.2-179.3-177.1-178.3175.3-170.10112.7K122 Y123 A124K122-K126 WeakPolarHBondContact O-CB 2.87Å; K122-K126 PolarHBondContact O-N 3.4Å; Y123-K126 PolarHBondContact O-N 2.94Å; A124-K126 PolarHBondContact O-N 2.88Å
127H97.8Very high97.6Very high63 Ų6348.3 Ų48.329%0.29225%0.251SS..THydrogen-bonded Turntrans-104.516.6-177.1-57.381.6000113.3Q100 A106 Y123 A124 A125 I129Q100-H127 PolarHBondContact NE2-O 3.1Å; A106-H127 VanDerWaalsContact CB-O 3.28Å; A106-H127 WeakPolarHBondContact CB-O 3.37Å; Y123-H127 AromaticContact CD1-ND1 3.84Å; Y123-H127 AromaticContact CD2-CE1 3.45Å; Y123-H127 VanDerWaalsContact CD2-CE1 3.45Å; Y123-H127 WeakPolarHBondContact CD2-CE1 3.5Å; Y123-H127 AromaticContact CD2-ND1 3.67Å; Y123-H127 HydrophobicContact CE1-CB 4.46Å; Y123-H127 AromaticContact CE1-ND1 3.61Å; Y123-H127 AromaticContact CE2-CE1 3.09Å; Y123-H127 WeakPolarHBondContact CE2-CE1 3.39Å; Y123-H127 AromaticContact CE2-ND1 3.49Å; Y123-H127 WeakPolarHBondContact CE2-ND1 3.44Å; Y123-H127 AromaticContact CE2-NE2 3.79Å; Y123-H127 AromaticContact CG-ND1 3.83Å; Y123-H127 AromaticContact CZ-CE1 3.4Å; Y123-H127 AromaticContact CZ-CG 3.86Å; Y123-H127 AromaticContact CZ-ND1 3.41Å; Y123-H127 AromaticContact CZ-NE2 3.87Å; Y123-H127 PolarHBondContact O-N 3.13Å; Y123-H127 VanDerWaalsContact O-N 3.1Å; Y123-H127 PolarHBondContact O-ND1 2.77Å; A124-H127 CarbonylContact O-C 3.56Å; A124-H127 PolarHBondContact O-N 3.05Å; A125-H127 PolarHBondContact O-N 2.83Å; H127-I129 VanDerWaalsContact C-N 3.3Å; H127-I129 PolarHBondContact O-N 2.78Å
128G97.4Very high97.6Very high33 Ų3348.7 Ų48.734%0.3426%0.255SS..THydrogen-bonded Turntrans71.417.6171.100000115.5A106 A124 A125 Q130A106-G128 WeakPolarHBondContact CB-O 3.33Å; A124-G128 PolarHBondContact O-N 2.91Å; A124-G128 VanDerWaalsContact O-N 3.13Å; A125-G128 PolarHBondContact O-N 2.79Å; G128-Q130 PolarHBondContact O-N 3.47Å
129I98.3Very high97.5Very high0 Ų044.7 Ų44.70%023%0.234CC..  trans-80109.2175.5-60.9169.7000107.5M96 A106 I109 A124 H127 H147M96-I129 HydrophobicContact CB-CD1 3.99Å; M96-I129 HydrophobicContact CG-CD1 3.85Å; M96-I129 HydrophobicContact SD-CD1 3.4Å; M96-I129 WeakPolarHBondContact SD-CD1 3.12Å; A106-I129 HydrophobicContact CB-CG1 3.98Å; I109-I129 HydrophobicContact CB-CD1 4.5Å; I109-I129 HydrophobicContact CB-CG1 4.35Å; I109-I129 HydrophobicContact CB-CG2 4.35Å; I109-I129 HydrophobicContact CD1-CD1 4.21Å; I109-I129 HydrophobicContact CD1-CG1 4.43Å; I109-I129 HydrophobicContact CG2-CD1 4.04Å; I109-I129 HydrophobicContact CG2-CG1 4.34Å; I109-I129 HydrophobicContact CG2-CG2 4.06Å; A124-I129 HydrophobicContact CB-CB 4.07Å; A124-I129 HydrophobicContact CB-CG2 4.44Å; A124-I129 PolarHBondContact O-N 3.19Å; H127-I129 VanDerWaalsContact C-N 3.3Å; H127-I129 PolarHBondContact O-N 2.78Å; I129-H147 PolarHBondContact O-NE2 3.32Å
130Q97.8Very high97.4Very high70 Ų7041.6 Ų41.633%0.32721%0.208SC..  trans-97.2-30.7-169.9-61.5-66.1-13.100113.8G128 H147 S149 K151G128-Q130 PolarHBondContact O-N 3.47Å; Q130-H147 PolarHBondContact OE1-CE1 3.39Å; Q130-S149 PolarHBondContact OE1-O 3.07Å; Q130-S149 PolarHBondContact OE1-OG 3.11Å; Q130-S149 VanDerWaalsContact OE1-OG 3.05Å; Q130-K151 PolarHBondContact O-N 3.46Å
131L98.2Very high97.3Very high32 Ų3242.3 Ų42.317%0.16822%0.219CC..EExtended strand (participates in β ladder)trans-87.6113.7-176.9-72.6169.5000111I110 Y111 K151 V153 V193I110-L131 HydrophobicContact CB-CB 4.41Å; I110-L131 HydrophobicContact CG1-CB 4.12Å; Y111-L131 PolarHBondContact N-O 2.8Å; L131-K151 WeakPolarHBondContact CA-O 3.25Å; L131-K151 HydrophobicContact CD2-CB 3.88Å; L131-V153 HydrophobicContact CD2-CG2 4.13Å; L131-V193 HydrophobicContact CD2-CG2 3.81Å
132L98.5Very high97.3Very high0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-127133.2-177.9-82.267.6000110.4Y111 K116 I121 V143 A150 K151 M152 V153Y111-L132 HydrophobicContact CD1-CG 4.33Å; K116-L132 HydrophobicContact CD-CD2 4.49Å; I121-L132 HydrophobicContact CG2-CD2 4.24Å; L132-V143 HydrophobicContact CD2-CG2 4.43Å; L132-A150 HydrophobicContact CD1-CB 4.31Å; L132-A150 HydrophobicContact CD2-CB 4.3Å; L132-K151 PolarHBondContact N-O 3.32Å; L132-M152 HydrophobicContact CB-CE 4.09Å; L132-M152 HydrophobicContact CB-SD 3.86Å; L132-M152 CarbonylContact O-C 3.47Å; L132-M152 WeakPolarHBondContact O-CA 3.45Å; L132-V153 PolarHBondContact O-N 3.23Å
133S97.6Very high97.2Very high2 Ų239 Ų391%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-82154.8175.7-57.20000112.3Y111 A112 K116 V153Y111-S133 PolarHBondContact O-N 3.34Å; A112-S133 WeakPolarHBondContact CA-OG 2.94Å; K116-S133 PolarHBondContact NZ-O 2.79Å; S133-V153 CarbonylContact C-O 3.57Å; S133-V153 VanDerWaalsContact CA-O 3.25Å; S133-V153 WeakPolarHBondContact CA-O 3.37Å
134F97.8Very high97.1Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-156.1159171.377-64.1000111.8E139 L140 M152 V153 L154 C155 V192F134-E139 HydrophobicContact CB-CB 3.93Å; F134-E139 HydrophobicContact CB-CG 3.78Å; F134-L140 HydrophobicContact CD2-CD1 4.41Å; F134-L140 HydrophobicContact CD2-CD2 3.74Å; F134-L140 HydrophobicContact CD2-CG 3.82Å; F134-L140 HydrophobicContact CE2-CD1 3.91Å; F134-L140 HydrophobicContact CE2-CD2 3.57Å; F134-L140 HydrophobicContact CE2-CG 3.77Å; F134-L140 HydrophobicContact CG-CD2 4.34Å; F134-L140 HydrophobicContact CZ-CD2 4.04Å; F134-M152 HydrophobicContact CB-CE 3.56Å; F134-M152 HydrophobicContact CD1-CB 3.72Å; F134-M152 HydrophobicContact CD1-CE 3.65Å; F134-M152 HydrophobicContact CD1-CG 4.48Å; F134-M152 HydrophobicContact CE1-CB 3.62Å; F134-M152 HydrophobicContact CG-CE 3.74Å; F134-V153 WeakPolarHBondContact CD1-O 3.49Å; F134-V153 PolarHBondContact N-O 3.26Å; F134-L154 HydrophobicContact CD1-CB 4.5Å; F134-L154 HydrophobicContact CD2-CD1 4.44Å; F134-L154 HydrophobicContact CE1-CB 3.73Å; F134-L154 HydrophobicContact CE1-CD1 4.15Å; F134-L154 HydrophobicContact CE2-CD1 3.94Å; F134-L154 HydrophobicContact CZ-CB 3.97Å; F134-L154 HydrophobicContact CZ-CD1 3.79Å; F134-L154 HydrophobicContact CZ-CG 4.39Å; F134-L154 CarbonylContact O-C 3.51Å; F134-L154 WeakPolarHBondContact O-CA 3.18Å; F134-C155 PolarHBondContact O-N 3.21Å; F134-V192 HydrophobicContact CE1-CG1 4.28Å; F134-V192 HydrophobicContact CE1-CG2 4.21Å; F134-V192 HydrophobicContact CZ-CG2 3.98Å
135D96.3Very high97Very high21 Ų2149.1 Ų49.111%0.11225%0.254CS..  trans-142.911.717660.44.3000112.7P114 C155 F171 G172 V173P114-D135 HydrophobicContact CB-CB 4.21Å; P114-D135 VanDerWaalsContact CB-CG 3.46Å; P114-D135 WeakPolarHBondContact CB-OD2 3.38Å; D135-C155 HydrophobicContact CB-CB 4.3Å; D135-F171 WeakPolarHBondContact OD2-CA 3.41Å; D135-G172 PolarHBondContact OD2-N 3.28Å; D135-V173 VanDerWaalsContact CA-CG2 3.5Å; D135-V173 HydrophobicContact CB-CG2 3.59Å; D135-V173 WeakPolarHBondContact O-CG2 3.38Å
136N95.2Very high97Very high41 Ų4148.3 Ų48.322%0.21925%0.247CC..SBendtrans-153.4158.2-17667.885.5000112.6M138 E139N136-M138 PolarHBondContact O-N 2.93Å; N136-M138 WeakPolarHBondContact OD1-CB 3.29Å; N136-M138 PolarHBondContact OD1-N 3.01Å; N136-E139 WeakPolarHBondContact O-CB 3.25Å; N136-E139 PolarHBondContact O-N 2.61Å; N136-E139 PolarHBondContact OD1-N 3.07Å
137E94.8Very high97Very high83 Ų8340.1 Ų40.139%0.38821%0.211SC..Hα-helixtrans-67.6-35.3-177.2-62.4-177.4176.100113.5E139 L140 A141 H180 L181 N184E137-E139 PolarHBondContact O-N 2.92Å; E137-L140 WeakPolarHBondContact O-CB 3.42Å; E137-L140 PolarHBondContact O-N 3.34Å; E137-L140 VanDerWaalsContact O-N 3.11Å; E137-A141 PolarHBondContact O-N 3.38Å; E137-H180 IonicContact OE1-CD2 3.26Å; E137-H180 PolarHBondContact OE1-CD2 3.07Å; E137-H180 IonicContact OE1-NE2 3.47Å; E137-H180 PolarHBondContact OE1-NE2 3.01Å; E137-L181 HydrophobicContact CB-CD2 4.34Å; E137-L181 HydrophobicContact CG-CD2 3.25Å; E137-N184 VanDerWaalsContact CD-ND2 3.3Å; E137-N184 PolarHBondContact OE1-ND2 3.44Å
138M95.6Very high96.9Very high136 Ų13641.9 Ų41.967%0.6723%0.228SC*.Hα-helixtrans-63.8-30.6179.3-63.3-56.2-59.500110.8N136 A141 K142N136-M138 PolarHBondContact O-N 2.93Å; N136-M138 WeakPolarHBondContact OD1-CB 3.29Å; N136-M138 PolarHBondContact OD1-N 3.01Å; M138-A141 PolarHBondContact O-N 3.31Å; M138-K142 WeakPolarHBondContact O-CE 3.44Å; M138-K142 WeakPolarHBondContact O-CG 3.44Å; M138-K142 PolarHBondContact O-N 3.05Å; M138-K142 VanDerWaalsContact O-N 3.15Å
139E97Very high96.8Very high1 Ų143.6 Ų43.61%0.00524%0.235CC..Hα-helixtrans-64.3-46.6172.4-153.669.2-159.800112P114 K116 F134 N136 E137 A141 K142 V143P114-E139 WeakPolarHBondContact O-CG 3.35Å; K116-E139 VanDerWaalsContact CB-OE1 3.27Å; K116-E139 WeakPolarHBondContact CB-OE1 3.48Å; K116-E139 WeakPolarHBondContact CE-OE1 3.34Å; K116-E139 PolarHBondContact N-OE1 2.87Å; K116-E139 PolarHBondContact N-OE2 2.96Å; K116-E139 IonicContact NZ-OE1 3.37Å; K116-E139 PolarHBondContact NZ-OE1 3.37Å; F134-E139 HydrophobicContact CB-CB 3.93Å; F134-E139 HydrophobicContact CB-CG 3.78Å; N136-E139 WeakPolarHBondContact O-CB 3.25Å; N136-E139 PolarHBondContact O-N 2.61Å; N136-E139 PolarHBondContact OD1-N 3.07Å; E137-E139 PolarHBondContact O-N 2.92Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 2.85Å; E139-K142 VanDerWaalsContact CD-CE 3.48Å; E139-K142 VanDerWaalsContact CD-NZ 3.35Å; E139-K142 WeakPolarHBondContact O-CB 3.46Å; E139-K142 PolarHBondContact O-N 3.31Å; E139-K142 VanDerWaalsContact O-N 3.12Å; E139-K142 IonicContact OE1-NZ 2.82Å; E139-K142 PolarHBondContact OE1-NZ 3.48Å; E139-K142 WeakPolarHBondContact OE2-CE 3.46Å; E139-K142 IonicContact OE2-NZ 3.83Å; E139-K142 PolarHBondContact OE2-NZ 2.73Å; E139-V143 WeakPolarHBondContact O-CG2 3.25Å; E139-V143 PolarHBondContact O-N 2.92Å
140L95.8Very high96.8Very high3 Ų343.7 Ų43.72%0.01624%0.236CC..Hα-helixtrans-57.1-46.2175.5-66173.8000110.8F134 E137 K142 V143 V144 A185 V190F134-L140 HydrophobicContact CD2-CD1 4.41Å; F134-L140 HydrophobicContact CD2-CD2 3.74Å; F134-L140 HydrophobicContact CD2-CG 3.82Å; F134-L140 HydrophobicContact CE2-CD1 3.91Å; F134-L140 HydrophobicContact CE2-CD2 3.57Å; F134-L140 HydrophobicContact CE2-CG 3.77Å; F134-L140 HydrophobicContact CG-CD2 4.34Å; F134-L140 HydrophobicContact CZ-CD2 4.04Å; E137-L140 WeakPolarHBondContact O-CB 3.42Å; E137-L140 PolarHBondContact O-N 3.34Å; E137-L140 VanDerWaalsContact O-N 3.11Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 2.68Å; L140-V143 PolarHBondContact O-N 3.01Å; L140-V143 VanDerWaalsContact O-N 3.13Å; L140-V144 VanDerWaalsContact O-CG2 3.29Å; L140-V144 WeakPolarHBondContact O-CG2 3.46Å; L140-V144 PolarHBondContact O-N 3.04Å; L140-A185 HydrophobicContact CD1-CB 3.89Å; L140-A185 HydrophobicContact CD2-CB 4.04Å; L140-V190 HydrophobicContact CD2-CB 4.4Å; L140-V190 HydrophobicContact CD2-CG1 3.98Å
141A96.2Very high96.8Very high47 Ų4743.9 Ų43.939%0.38824%0.235SC..Hα-helixtrans-60.6-34178.600000113.2E137 M138 E139E137-A141 PolarHBondContact O-N 3.38Å; M138-A141 PolarHBondContact O-N 3.31Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 2.85Å
142K97.7Very high96.8Very high50 Ų5042.3 Ų42.322%0.21723%0.227CC..Hα-helixtrans-70.6-42.3174.5-72.3179.6-65.6-1770111.8K116 I118 I121 M138 E139 L140 K145 S146K116-K142 PolarHBondContact O-NZ 3.29Å; I118-K142 HydrophobicContact CD1-CD 4.42Å; I118-K142 HydrophobicContact CD1-CG 4.21Å; I118-K142 HydrophobicContact CG1-CB 4.31Å; I118-K142 HydrophobicContact CG1-CD 3.82Å; I118-K142 HydrophobicContact CG1-CG 3.86Å; I121-K142 HydrophobicContact CD1-CB 3.77Å; I121-K142 HydrophobicContact CD1-CD 4.48Å; M138-K142 WeakPolarHBondContact O-CE 3.44Å; M138-K142 WeakPolarHBondContact O-CG 3.44Å; M138-K142 PolarHBondContact O-N 3.05Å; M138-K142 VanDerWaalsContact O-N 3.15Å; E139-K142 VanDerWaalsContact CD-CE 3.48Å; E139-K142 VanDerWaalsContact CD-NZ 3.35Å; E139-K142 WeakPolarHBondContact O-CB 3.46Å; E139-K142 PolarHBondContact O-N 3.31Å; E139-K142 VanDerWaalsContact O-N 3.12Å; E139-K142 IonicContact OE1-NZ 2.82Å; E139-K142 PolarHBondContact OE1-NZ 3.48Å; E139-K142 WeakPolarHBondContact OE2-CE 3.46Å; E139-K142 IonicContact OE2-NZ 3.83Å; E139-K142 PolarHBondContact OE2-NZ 2.73Å; L140-K142 VanDerWaalsContact C-N 3.26Å; L140-K142 PolarHBondContact O-N 2.68Å; K142-K145 PolarHBondContact O-N 2.95Å; K142-S146 VanDerWaalsContact O-CB 3.25Å; K142-S146 WeakPolarHBondContact O-CB 3.27Å; K142-S146 PolarHBondContact O-N 2.82Å; K142-S146 VanDerWaalsContact O-N 3.17Å; K142-S146 PolarHBondContact O-OG 2.64Å
143V97Very high96.8Very high1 Ų142.3 Ų42.31%0.00623%0.227CC..Hα-helixtrans-65.7-46.6-179.3170.10000111.3I121 L132 E139 L140 K145 S146 H147 A150 M152I121-V143 HydrophobicContact CD1-CG2 4.44Å; I121-V143 HydrophobicContact CG2-CG2 4.49Å; L132-V143 HydrophobicContact CD2-CG2 4.43Å; E139-V143 WeakPolarHBondContact O-CG2 3.25Å; E139-V143 PolarHBondContact O-N 2.92Å; L140-V143 PolarHBondContact O-N 3.01Å; L140-V143 VanDerWaalsContact O-N 3.13Å; V143-K145 PolarHBondContact O-N 2.97Å; V143-S146 PolarHBondContact O-N 3.26Å; V143-H147 VanDerWaalsContact CG1-O 3.3Å; V143-H147 WeakPolarHBondContact CG1-O 3.3Å; V143-H147 CarbonylContact O-C 3.45Å; V143-H147 PolarHBondContact O-N 3.09Å; V143-A150 HydrophobicContact CG1-CB 3.8Å; V143-M152 HydrophobicContact CB-SD 4.36Å; V143-M152 HydrophobicContact CG1-SD 3.81Å; V143-M152 HydrophobicContact CG2-CE 3.93Å; V143-M152 HydrophobicContact CG2-SD 3.91Å
144V96.9Very high96.8Very high59 Ų5942.2 Ų42.236%0.35823%0.227SC..Hα-helixtrans-49.2-39.4177.7170.20000112.2L140 V190L140-V144 VanDerWaalsContact O-CG2 3.29Å; L140-V144 WeakPolarHBondContact O-CG2 3.46Å; L140-V144 PolarHBondContact O-N 3.04Å; V144-V190 HydrophobicContact CG2-CG2 3.4Å
145K96.3Very high96.8Very high182 Ų18242.9 Ų42.979%0.79123%0.231SC*.Hα-helixtrans-86-27.5-177.7-65.6178.8-178.9177.60114.1K142 V143K142-K145 PolarHBondContact O-N 2.95Å; V143-K145 PolarHBondContact O-N 2.97Å
146S97.7Very high96.7Very high16 Ų1642 Ų4211%0.11223%0.227CC..Hα-helixtrans-116.1-24.8-162.8-50.60000113.8K142 V143K142-S146 VanDerWaalsContact O-CB 3.25Å; K142-S146 WeakPolarHBondContact O-CB 3.27Å; K142-S146 PolarHBondContact O-N 2.82Å; K142-S146 VanDerWaalsContact O-N 3.17Å; K142-S146 PolarHBondContact O-OG 2.64Å; V143-S146 PolarHBondContact O-N 3.26Å
147H97.8Very high96.5Very high3 Ų341.7 Ų41.71%0.01423%0.229CC..  trans-154.365.9-179.7-165.2-1.2000110.5I121 A125 I129 Q130 V143 S149 A150I121-H147 HydrophobicContact CG2-CB 3.69Å; A125-H147 HydrophobicContact CB-CB 3.84Å; A125-H147 VanDerWaalsContact CB-CG 3.47Å; I129-H147 PolarHBondContact O-NE2 3.32Å; Q130-H147 PolarHBondContact OE1-CE1 3.39Å; V143-H147 VanDerWaalsContact CG1-O 3.3Å; V143-H147 WeakPolarHBondContact CG1-O 3.3Å; V143-H147 CarbonylContact O-C 3.45Å; V143-H147 PolarHBondContact O-N 3.09Å; H147-S149 PolarHBondContact CE1-OG 2.93Å; H147-S149 PolarHBondContact ND1-OG 3.45Å; H147-S149 PolarHBondContact O-N 3.24Å; H147-S149 VanDerWaalsContact O-N 3.15Å; H147-A150 HydrophobicContact CB-CB 4.19Å; H147-A150 VanDerWaalsContact O-CB 3.23Å; H147-A150 WeakPolarHBondContact O-CB 3.29Å; H147-A150 PolarHBondContact O-N 3Å
148P95.1Very high96Very high99 Ų9938.4 Ų38.464%0.64322%0.215SC*.THydrogen-bonded Turntrans-66.2-15.6-172.626.4-35.3000114.2
149S95.3Very high94.9Very high69 Ų6937.4 Ų37.448%0.48321%0.212SC..THydrogen-bonded Turntrans-91.40.517573.50000113.4Q130 H147Q130-S149 PolarHBondContact OE1-O 3.07Å; Q130-S149 PolarHBondContact OE1-OG 3.11Å; Q130-S149 VanDerWaalsContact OE1-OG 3.05Å; H147-S149 PolarHBondContact CE1-OG 2.93Å; H147-S149 PolarHBondContact ND1-OG 3.45Å; H147-S149 PolarHBondContact O-N 3.24Å; H147-S149 VanDerWaalsContact O-N 3.15Å
150A97.6Very high93.4Very high2 Ų237.9 Ų37.92%0.01722%0.215CC..  trans-61.3141.8-179.400000111.3L132 V143 H147 M152L132-A150 HydrophobicContact CD1-CB 4.31Å; L132-A150 HydrophobicContact CD2-CB 4.3Å; V143-A150 HydrophobicContact CG1-CB 3.8Å; H147-A150 HydrophobicContact CB-CB 4.19Å; H147-A150 VanDerWaalsContact O-CB 3.23Å; H147-A150 WeakPolarHBondContact O-CB 3.29Å; H147-A150 PolarHBondContact O-N 3Å; A150-M152 HydrophobicContact CB-SD 3.99Å
151K98.3Very high92Very high74 Ų7439.8 Ų39.832%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-97.2114.4171.2-68.2-178.8174.4-172.10108.1Q130 L131 L132 V193Q130-K151 PolarHBondContact O-N 3.46Å; L131-K151 WeakPolarHBondContact CA-O 3.25Å; L131-K151 HydrophobicContact CD2-CB 3.88Å; L132-K151 PolarHBondContact N-O 3.32Å; K151-V193 HydrophobicContact CB-CB 4.45Å; K151-V193 HydrophobicContact CB-CG1 3.8Å; K151-V193 HydrophobicContact CB-CG2 3.78Å; K151-V193 HydrophobicContact CD-CG1 4.13Å; K151-V193 HydrophobicContact CG-CG1 3.93Å
152M98.3Very high90.3Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-91.5136.7-171.6-59.8-55.1-62.400111.9L132 F134 V143 A150 V190 E191 V192 V193L132-M152 HydrophobicContact CB-CE 4.09Å; L132-M152 HydrophobicContact CB-SD 3.86Å; L132-M152 CarbonylContact O-C 3.47Å; L132-M152 WeakPolarHBondContact O-CA 3.45Å; F134-M152 HydrophobicContact CB-CE 3.56Å; F134-M152 HydrophobicContact CD1-CB 3.72Å; F134-M152 HydrophobicContact CD1-CE 3.65Å; F134-M152 HydrophobicContact CD1-CG 4.48Å; F134-M152 HydrophobicContact CE1-CB 3.62Å; F134-M152 HydrophobicContact CG-CE 3.74Å; V143-M152 HydrophobicContact CB-SD 4.36Å; V143-M152 HydrophobicContact CG1-SD 3.81Å; V143-M152 HydrophobicContact CG2-CE 3.93Å; V143-M152 HydrophobicContact CG2-SD 3.91Å; A150-M152 HydrophobicContact CB-SD 3.99Å; M152-V190 HydrophobicContact CB-CG1 4.27Å; M152-V190 HydrophobicContact CG-CG1 3.31Å; M152-E191 PolarHBondContact N-O 3.03Å; M152-V192 HydrophobicContact CB-CG2 4.35Å; M152-V192 WeakPolarHBondContact O-CA 3.4Å; M152-V193 PolarHBondContact O-N 3.43Å
153V98.5Very high88.5Confident0 Ų042.1 Ų42.10%023%0.233CC..EExtended strand (participates in β ladder)trans-111.9115.9173.7-1770000108.4L131 L132 S133 F134 V193 V232L131-V153 HydrophobicContact CD2-CG2 4.13Å; L132-V153 PolarHBondContact O-N 3.23Å; S133-V153 CarbonylContact C-O 3.57Å; S133-V153 VanDerWaalsContact CA-O 3.25Å; S133-V153 WeakPolarHBondContact CA-O 3.37Å; F134-V153 WeakPolarHBondContact CD1-O 3.49Å; F134-V153 PolarHBondContact N-O 3.26Å; V153-V193 HydrophobicContact CG2-CG2 4.25Å; V153-V232 HydrophobicContact CG2-CG1 4.45Å
154L98.4Very high86.7Confident0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-78.5121.5-177.1175.759.9000110.3F134 V173 C178 L181 L182 V192 G194 V195 S196 V219F134-L154 HydrophobicContact CD1-CB 4.5Å; F134-L154 HydrophobicContact CD2-CD1 4.44Å; F134-L154 HydrophobicContact CE1-CB 3.73Å; F134-L154 HydrophobicContact CE1-CD1 4.15Å; F134-L154 HydrophobicContact CE2-CD1 3.94Å; F134-L154 HydrophobicContact CZ-CB 3.97Å; F134-L154 HydrophobicContact CZ-CD1 3.79Å; F134-L154 HydrophobicContact CZ-CG 4.39Å; F134-L154 CarbonylContact O-C 3.51Å; F134-L154 WeakPolarHBondContact O-CA 3.18Å; L154-V173 HydrophobicContact CD1-CG2 3.98Å; L154-C178 HydrophobicContact CD2-CB 4.16Å; L154-L181 HydrophobicContact CD1-CD1 3.92Å; L154-L182 HydrophobicContact CD2-CD2 4.29Å; L154-L182 HydrophobicContact CD2-CG 4.26Å; L154-V192 HydrophobicContact CB-CG1 4.45Å; L154-G194 PolarHBondContact N-O 3.47Å; L154-V195 CarbonylContact O-C 3.49Å; L154-V195 WeakPolarHBondContact O-CA 3.17Å; L154-V195 WeakPolarHBondContact O-CG1 3.42Å; L154-S196 PolarHBondContact O-N 3.23Å; L154-V219 HydrophobicContact CD2-CG1 3.98Å
155C97.1Very high85Confident14 Ų1445.9 Ų45.910%0.09525%0.253CS..EExtended strand (participates in β ladder)trans-86.1124.9174.9-171.60000110.7P114 F134 D135 G172 V173 S196P114-C155 HydrophobicContact CG-CB 4.5Å; F134-C155 PolarHBondContact O-N 3.21Å; D135-C155 HydrophobicContact CB-CB 4.3Å; C155-G172 WeakPolarHBondContact O-CA 3.4Å; C155-V173 WeakPolarHBondContact O-CG2 3.44Å; C155-V173 PolarHBondContact O-N 3.49Å; C155-S196 CarbonylContact C-O 3.56Å; C155-S196 WeakPolarHBondContact CA-O 3.36Å; C155-S196 WeakPolarHBondContact CA-OG 3.28Å; C155-S196 WeakPolarHBondContact CB-OG 3.32Å
156I95.4Very high83.5Confident3 Ų344.3 Ų44.32%0.01524%0.242CC..BIsolated β-bridgetrans-101.4150.1175.865.5169.9000111.3V173 V195 S196 F197 D215 V216 V219I156-V173 WeakPolarHBondContact CA-O 3.49Å; I156-V195 HydrophobicContact CB-CG1 4.49Å; I156-V195 HydrophobicContact CD1-CG1 4.33Å; I156-V195 HydrophobicContact CG1-CG1 4.17Å; I156-V195 HydrophobicContact CG2-CG1 3.63Å; I156-S196 PolarHBondContact N-O 2.98Å; I156-F197 HydrophobicContact CD1-CB 4.45Å; I156-F197 HydrophobicContact CG1-CB 3.81Å; I156-D215 HydrophobicContact CD1-CB 3.97Å; I156-V216 HydrophobicContact CD1-CG2 3.66Å; I156-V216 HydrophobicContact CG1-CG2 4.41Å; I156-V219 HydrophobicContact CG2-CG2 4.24Å
157A90.8Very high81.9Confident33 Ų3346.4 Ų46.427%0.27325%0.252SS..PPolyproline II helixtrans-72.4146.8174.400000110.3V173A157-V173 PolarHBondContact N-O 3.38Å
158T83.2Confident80.1Confident14 Ų1447.6 Ų47.69%0.08626%0.26CS..  trans-120.4161.5176.155.90000110.1D160 S168 F197 H198 I199 S212T158-D160 PolarHBondContact O-N 3.31Å; T158-D160 VanDerWaalsContact O-N 3.1Å; T158-S168 PolarHBondContact N-OG 3.49Å; T158-S168 WeakPolarHBondContact O-CB 3.43Å; T158-S168 PolarHBondContact O-OG 3.37Å; T158-S168 VanDerWaalsContact O-OG 3.08Å; T158-S168 PolarHBondContact OG1-OG 2.85Å; T158-F197 HydrophobicContact CG2-CB 3.63Å; T158-F197 HydrophobicContact CG2-CD2 4Å; T158-F197 HydrophobicContact CG2-CG 4.18Å; T158-H198 PolarHBondContact OG1-O 2.95Å; T158-I199 HydrophobicContact CG2-CD1 3.98Å; T158-S212 WeakPolarHBondContact CG2-OG 3.25Å
159D73.1Confident78.5Confident115 Ų11549.9 Ų49.962%0.61527%0.266SS*.  trans-75.596.4164.4-172.3-2.4000109.2S161D159-S161 WeakPolarHBondContact OD1-CB 3.03Å; D159-S161 PolarHBondContact OD1-N 3.41Å; D159-S161 VanDerWaalsContact OD1-N 3.15Å; D159-S161 PolarHBondContact OD1-OG 2.96Å
160D65.5Low77.2Confident12 Ų1254.3 Ų54.36%0.06428%0.277CS..  trans-103.817.4178.372.5-0.9000112.7T158 H162 S163 R166 L167 S168 I199T158-D160 PolarHBondContact O-N 3.31Å; T158-D160 VanDerWaalsContact O-N 3.1Å; D160-H162 PolarHBondContact O-N 2.97Å; D160-S163 WeakPolarHBondContact O-CB 3.4Å; D160-S163 PolarHBondContact O-N 3.04Å; D160-S163 PolarHBondContact O-OG 3.45Å; D160-R166 VanDerWaalsContact OD2-C 3.27Å; D160-R166 WeakPolarHBondContact OD2-CA 3.32Å; D160-L167 PolarHBondContact OD2-N 3.49Å; D160-S168 VanDerWaalsContact CG-OG 3.23Å; D160-S168 WeakPolarHBondContact OD2-CB 3.35Å; D160-S168 PolarHBondContact OD2-N 3.21Å; D160-S168 PolarHBondContact OD2-OG 2.98Å; D160-I199 WeakPolarHBondContact CB-O 3.45Å
161S65.4Low76.3Confident43 Ų4356.6 Ų56.630%0.30129%0.287SS..THydrogen-bonded Turntrans-54.9-28.8-174.856.90000113.5D159 R166D159-S161 WeakPolarHBondContact OD1-CB 3.03Å; D159-S161 PolarHBondContact OD1-N 3.41Å; D159-S161 VanDerWaalsContact OD1-N 3.15Å; D159-S161 PolarHBondContact OD1-OG 2.96Å; S161-R166 PolarHBondContact O-NE 3.26Å; S161-R166 PolarHBondContact O-NH2 3.48Å
162H61.7Low75.7Confident134 Ų13454 Ų5462%0.6228%0.281SS*.THydrogen-bonded Turntrans-100.81.7179.3-61.4-65.2000114.9D160 P204D160-H162 PolarHBondContact O-N 2.97Å; H162-P204 HydrophobicContact CB-CG 3.9Å; H162-P204 WeakPolarHBondContact O-CD 3.32Å
163S60.1Low75.4Confident12 Ų1254.6 Ų54.68%0.08428%0.284CS..SBendtrans-79154177.8730000112.3D160 S165D160-S163 WeakPolarHBondContact O-CB 3.4Å; D160-S163 PolarHBondContact O-N 3.04Å; D160-S163 PolarHBondContact O-OG 3.45Å; S163-S165 VanDerWaalsContact C-N 3.3Å; S163-S165 PolarHBondContact OG-O 2.91Å
164L59.2Low75.1Confident110 Ų11057.3 Ų57.358%0.57630%0.304SS*.SBendtrans-68.7-32173.3-64.2172.6000111.6S201L164-S201 VanDerWaalsContact CB-O 3.32Å; L164-S201 WeakPolarHBondContact CB-O 3.44Å; L164-S201 PolarHBondContact N-O 2.82Å
165S59.8Low74.6Confident29 Ų2959.9 Ų59.920%0.20332%0.317CS..SBendtrans-123.7100.1-179.3-46.10000110.1S163 L167S163-S165 VanDerWaalsContact C-N 3.3Å; S163-S165 PolarHBondContact OG-O 2.91Å; S165-L167 PolarHBondContact O-N 3.25Å
166R65.5Low74.3Confident149 Ų14968.7 Ų68.756%0.56235%0.353SS*.  trans-77.4100.8179.7-64.3-176.5-180168.7-1.7111.4D160 S161 L169D160-R166 VanDerWaalsContact OD2-C 3.27Å; D160-R166 WeakPolarHBondContact OD2-CA 3.32Å; S161-R166 PolarHBondContact O-NE 3.26Å; S161-R166 PolarHBondContact O-NH2 3.48Å; R166-L169 HydrophobicContact CB-CD1 4.16Å
167L63.1Low74.2Confident60 Ų6071.3 Ų71.331%0.31437%0.372SS..  trans-94.4-25-179.6-66.5174.6000112.5D160 S165 L169 K170 F171D160-L167 PolarHBondContact OD2-N 3.49Å; S165-L167 PolarHBondContact O-N 3.25Å; L167-L169 PolarHBondContact O-N 3.3Å; L167-K170 PolarHBondContact O-N 3.49Å; L167-F171 PolarHBondContact O-N 3.01Å
168S62Low74.5Confident27 Ų2769.7 Ų69.719%0.18936%0.359CS..THydrogen-bonded Turntrans-68.5-20.4-175-51.90000113T158 D160 K170 F171T158-S168 PolarHBondContact N-OG 3.49Å; T158-S168 WeakPolarHBondContact O-CB 3.43Å; T158-S168 PolarHBondContact O-OG 3.37Å; T158-S168 VanDerWaalsContact O-OG 3.08Å; T158-S168 PolarHBondContact OG1-OG 2.85Å; D160-S168 VanDerWaalsContact CG-OG 3.23Å; D160-S168 WeakPolarHBondContact OD2-CB 3.35Å; D160-S168 PolarHBondContact OD2-N 3.21Å; D160-S168 PolarHBondContact OD2-OG 2.98Å; S168-K170 PolarHBondContact O-N 3.1Å; S168-F171 CarbonylContact C-O 3.46Å; S168-F171 VanDerWaalsContact CA-O 3.28Å; S168-F171 WeakPolarHBondContact CA-O 3.08Å
169L59.7Low75.2Confident148 Ų14873.2 Ų73.278%0.77537%0.371SS*.THydrogen-bonded Turntrans-66.8-25.8169.8-78.5166000112.9R166 L167R166-L169 HydrophobicContact CB-CD1 4.16Å; L167-L169 PolarHBondContact O-N 3.3Å
170K69.5Low76.3Confident162 Ų16272 Ų7270%0.70436%0.361SS*.THydrogen-bonded Turntrans-110.5-30.6-175.2-175.2175.9176.1-177.30112.8L167 S168L167-K170 PolarHBondContact O-N 3.49Å; S168-K170 PolarHBondContact O-N 3.1Å
171F78.9Confident77.7Confident50 Ų5072 Ų7222%0.21936%0.361CS..SBendtrans-134.7152.3-171.9-60.2-66.4000111.4P114 D135 L167 S168P114-F171 HydrophobicContact CB-CD1 4.18Å; P114-F171 HydrophobicContact CG-CD1 3.86Å; P114-F171 HydrophobicContact CG-CE1 4.41Å; P114-F171 HydrophobicContact CG-CG 4.38Å; D135-F171 WeakPolarHBondContact OD2-CA 3.41Å; L167-F171 PolarHBondContact O-N 3.01Å; S168-F171 CarbonylContact C-O 3.46Å; S168-F171 VanDerWaalsContact CA-O 3.28Å; S168-F171 WeakPolarHBondContact CA-O 3.08Å
172G85.3Confident79.3Confident20 Ų2070 Ų7021%0.20635%0.347CS..  trans97.2142.8174.700000113.4D135 C155D135-G172 PolarHBondContact OD2-N 3.28Å; C155-G172 WeakPolarHBondContact O-CA 3.4Å
173V90.5Very high81Confident11 Ų1166.6 Ų66.67%0.06733%0.331CS..BIsolated β-bridgetrans-98.6137.6-175.1-172.90000110.2D135 L154 C155 I156 A157 L181D135-V173 VanDerWaalsContact CA-CG2 3.5Å; D135-V173 HydrophobicContact CB-CG2 3.59Å; D135-V173 WeakPolarHBondContact O-CG2 3.38Å; L154-V173 HydrophobicContact CD1-CG2 3.98Å; C155-V173 WeakPolarHBondContact O-CG2 3.44Å; C155-V173 PolarHBondContact O-N 3.49Å; I156-V173 WeakPolarHBondContact CA-O 3.49Å; A157-V173 PolarHBondContact N-O 3.38Å; V173-L181 HydrophobicContact CB-CD1 4.21Å; V173-L181 HydrophobicContact CG1-CD1 3.75Å; V173-L181 HydrophobicContact CG2-CD1 3.5Å; V173-L181 VanDerWaalsContact CG2-CD1 3.5Å
174S92.2Very high82.8Confident58 Ų5867.4 Ų67.441%0.40634%0.335SS..  trans-63146.2170.481.70000110.8K176 S177 C178S174-K176 PolarHBondContact O-N 3.19Å; S174-K176 VanDerWaalsContact O-N 3.07Å; S174-S177 PolarHBondContact O-N 3.32Å; S174-S177 PolarHBondContact OG-N 3.26Å; S174-S177 PolarHBondContact OG-OG 2.99Å; S174-C178 PolarHBondContact O-N 3.46Å; S174-C178 PolarHBondContact O-SG 3.47Å
175L89.7Confident84.6Confident53 Ų5362.1 Ų62.128%0.27731%0.307SS..Hα-helixtrans-51.4-37.1177.1-76.9179000113.6S177 C178 D215 V219L175-S177 PolarHBondContact O-N 2.81Å; L175-C178 WeakPolarHBondContact O-CB 3.34Å; L175-C178 PolarHBondContact O-N 3.29Å; L175-D215 HydrophobicContact CD1-CB 3.97Å; L175-D215 HydrophobicContact CD2-CB 4.04Å; L175-D215 HydrophobicContact CG-CB 4.37Å; L175-V219 HydrophobicContact CD2-CG2 3.48Å; L175-V219 VanDerWaalsContact CD2-CG2 3.48Å
176K90.6Very high86.3Confident199 Ų19965.4 Ų65.487%0.86532%0.318SS*.Hα-helixtrans-62.6-31.8178.8-64-178.9-178.5176.60112.8S174S174-K176 PolarHBondContact O-N 3.19Å; S174-K176 VanDerWaalsContact O-N 3.07Å
177S93.5Very high87.8Confident58 Ų5865.1 Ų65.141%0.40632%0.32SS..Hα-helixtrans-91.3-15.1-178-58.30000113S174 L175 R179 H180 L181S174-S177 PolarHBondContact O-N 3.32Å; S174-S177 PolarHBondContact OG-N 3.26Å; S174-S177 PolarHBondContact OG-OG 2.99Å; L175-S177 PolarHBondContact O-N 2.81Å; S177-R179 PolarHBondContact O-N 2.97Å; S177-H180 PolarHBondContact O-N 2.99Å; S177-L181 PolarHBondContact O-N 3.14Å
178C96.2Very high89.3Confident0 Ų064.7 Ų64.70%032%0.322CS..Hα-helixtrans-59-45.3-177.3-70.50000112.6L154 S174 L175 H180 L181 L182 V219L154-C178 HydrophobicContact CD2-CB 4.16Å; S174-C178 PolarHBondContact O-N 3.46Å; S174-C178 PolarHBondContact O-SG 3.47Å; L175-C178 WeakPolarHBondContact O-CB 3.34Å; L175-C178 PolarHBondContact O-N 3.29Å; C178-H180 VanDerWaalsContact C-N 3.29Å; C178-H180 PolarHBondContact O-N 3.17Å; C178-L181 PolarHBondContact O-N 2.66Å; C178-L182 WeakPolarHBondContact O-CG 3.4Å; C178-L182 PolarHBondContact O-N 3.45Å; C178-V219 HydrophobicContact CB-CG1 4.3Å; C178-V219 HydrophobicContact CB-CG2 4.05Å
179R96.9Very high90.8Very high87 Ų8771.9 Ų71.933%0.32835%0.353SS..Hα-helixtrans-56.5-43.4178-179.2172.2-74.1-93.23.1111.9S177 L181 L182 E183 M222 E225 L226S177-R179 PolarHBondContact O-N 2.97Å; R179-L181 PolarHBondContact O-N 2.81Å; R179-L182 PolarHBondContact O-N 3.37Å; R179-E183 WeakPolarHBondContact O-CG 3.25Å; R179-E183 PolarHBondContact O-N 2.82Å; R179-M222 HydrophobicContact CB-SD 3.94Å; R179-E225 IonicContact CZ-OE2 3.64Å; R179-E225 IonicContact NH1-OE2 2.77Å; R179-E225 PolarHBondContact NH1-OE2 2.88Å; R179-E225 IonicContact NH2-OE2 3.68Å; R179-E225 PolarHBondContact NH2-OE2 2.85Å; R179-L226 HydrophobicContact CG-CD1 4.46Å
180H96.5Very high92.5Very high91 Ų9165.2 Ų65.242%0.42132%0.318SS..Hα-helixtrans-62.6-44.2-179.8-172.757.9000112.3E137 S177 C178 E183 N184E137-H180 IonicContact OE1-CD2 3.26Å; E137-H180 PolarHBondContact OE1-CD2 3.07Å; E137-H180 IonicContact OE1-NE2 3.47Å; E137-H180 PolarHBondContact OE1-NE2 3.01Å; S177-H180 PolarHBondContact O-N 2.99Å; C178-H180 VanDerWaalsContact C-N 3.29Å; C178-H180 PolarHBondContact O-N 3.17Å; H180-E183 PolarHBondContact O-N 3.03Å; H180-N184 PolarHBondContact CE1-ND2 2.81Å; H180-N184 PolarHBondContact NE2-ND2 2.85Å; H180-N184 VanDerWaalsContact NE2-ND2 3.14Å; H180-N184 PolarHBondContact O-N 3.1Å; H180-N184 PolarHBondContact O-ND2 3.17Å
181L96.6Very high93.8Very high11 Ų1161.1 Ų61.16%0.05830%0.302CS..Hα-helixtrans-64.5-40.9176.6-69.6-176.1000112.6E137 L154 V173 S177 C178 R179 E183 N184 A185E137-L181 HydrophobicContact CB-CD2 4.34Å; E137-L181 HydrophobicContact CG-CD2 3.25Å; L154-L181 HydrophobicContact CD1-CD1 3.92Å; V173-L181 HydrophobicContact CB-CD1 4.21Å; V173-L181 HydrophobicContact CG1-CD1 3.75Å; V173-L181 HydrophobicContact CG2-CD1 3.5Å; V173-L181 VanDerWaalsContact CG2-CD1 3.5Å; S177-L181 PolarHBondContact O-N 3.14Å; C178-L181 PolarHBondContact O-N 2.66Å; R179-L181 PolarHBondContact O-N 2.81Å; L181-E183 VanDerWaalsContact C-N 3.35Å; L181-N184 PolarHBondContact O-N 2.97Å; L181-A185 WeakPolarHBondContact O-CB 3.34Å; L181-A185 PolarHBondContact O-N 2.86Å
182L98.2Very high94.7Very high0 Ų058.8 Ų58.80%029%0.291CS..Hα-helixtrans-63.8-39.7177.3-69.6168.4000111.8L154 C178 R179 A185 K186 V192 V219 M222 L226 H228L154-L182 HydrophobicContact CD2-CD2 4.29Å; L154-L182 HydrophobicContact CD2-CG 4.26Å; C178-L182 WeakPolarHBondContact O-CG 3.4Å; C178-L182 PolarHBondContact O-N 3.45Å; R179-L182 PolarHBondContact O-N 3.37Å; L182-A185 PolarHBondContact O-N 3.3Å; L182-K186 WeakPolarHBondContact O-CB 3.45Å; L182-K186 PolarHBondContact O-N 3.33Å; L182-V192 HydrophobicContact CD2-CB 4.04Å; L182-V192 HydrophobicContact CD2-CG1 3.74Å; L182-V192 HydrophobicContact CD2-CG2 4.14Å; L182-V219 HydrophobicContact CD1-CG1 4.13Å; L182-M222 HydrophobicContact CD1-CB 3.99Å; L182-L226 HydrophobicContact CB-CD1 3.52Å; L182-H228 PolarHBondContact O-NE2 2.77Å
183E97.9Very high95.3Very high63 Ų6357.8 Ų57.829%0.29428%0.281SS..Hα-helixtrans-61.9-45173.1-75.1173.3-172.400111.5R179 H180 L181 K186 K187 L226R179-E183 WeakPolarHBondContact O-CG 3.25Å; R179-E183 PolarHBondContact O-N 2.82Å; H180-E183 PolarHBondContact O-N 3.03Å; L181-E183 VanDerWaalsContact C-N 3.35Å; E183-K186 PolarHBondContact O-N 3.15Å; E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.46Å; E183-K187 PolarHBondContact O-N 2.91Å; E183-L226 HydrophobicContact CG-CD1 3.86Å; E183-L226 HydrophobicContact CG-CD2 3.73Å; E183-L226 HydrophobicContact CG-CG 4.47Å
184N96.6Very high95.7Very high29 Ų2957.3 Ų57.316%0.15528%0.278CS..Hα-helixtrans-67.3-37.8179.9-70.7-15.5000112E137 H180 L181 K187 S188E137-N184 VanDerWaalsContact CD-ND2 3.3Å; E137-N184 PolarHBondContact OE1-ND2 3.44Å; H180-N184 PolarHBondContact CE1-ND2 2.81Å; H180-N184 PolarHBondContact NE2-ND2 2.85Å; H180-N184 VanDerWaalsContact NE2-ND2 3.14Å; H180-N184 PolarHBondContact O-N 3.1Å; H180-N184 PolarHBondContact O-ND2 3.17Å; L181-N184 PolarHBondContact O-N 2.97Å; N184-K187 PolarHBondContact O-N 3.21Å; N184-S188 VanDerWaalsContact O-CB 3.31Å; N184-S188 WeakPolarHBondContact O-CB 3.36Å; N184-S188 PolarHBondContact O-N 3.03Å; N184-S188 PolarHBondContact O-OG 2.76Å
185A97.1Very high96Very high0 Ų054.5 Ų54.50%026%0.259CS..Hα-helixtrans-60.9-45.5171.600000111.3L140 L181 L182 S188 H189 V190 V192L140-A185 HydrophobicContact CD1-CB 3.89Å; L140-A185 HydrophobicContact CD2-CB 4.04Å; L181-A185 WeakPolarHBondContact O-CB 3.34Å; L181-A185 PolarHBondContact O-N 2.86Å; L182-A185 PolarHBondContact O-N 3.3Å; A185-S188 CarbonylContact O-C 3.59Å; A185-S188 PolarHBondContact O-N 3.4Å; A185-S188 VanDerWaalsContact O-N 3.15Å; A185-H189 PolarHBondContact O-N 3.11Å; A185-H189 VanDerWaalsContact O-N 3.16Å; A185-V190 HydrophobicContact CB-CB 4.36Å; A185-V190 PolarHBondContact O-N 3.29Å; A185-V192 HydrophobicContact CB-CG2 3.55Å
186K96.3Very high96.4Very high98 Ų9852.4 Ų52.443%0.42625%0.248SC..Hα-helixtrans-62.4-46178.1-168.266.8174.5-177.40112.3L182 E183 S188 H189 L226 G227L182-K186 WeakPolarHBondContact O-CB 3.45Å; L182-K186 PolarHBondContact O-N 3.33Å; E183-K186 PolarHBondContact O-N 3.15Å; K186-S188 PolarHBondContact O-N 2.82Å; K186-H189 PolarHBondContact O-N 3.45Å; K186-H189 VanDerWaalsContact O-N 3.1Å; K186-L226 WeakPolarHBondContact CD-O 3.49Å; K186-L226 VanDerWaalsContact CE-O 3.27Å; K186-L226 WeakPolarHBondContact CE-O 3.45Å; K186-G227 PolarHBondContact NZ-O 2.81Å
187K96.5Very high96.6Very high142 Ų14243 Ų4362%0.61721%0.208SC*.Hα-helixtrans-59.5-32.4174.8-72.1169.3-169.7161.60112.3E183 N184 H189E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.46Å; E183-K187 PolarHBondContact O-N 2.91Å; N184-K187 PolarHBondContact O-N 3.21Å; K187-H189 VanDerWaalsContact C-N 3.31Å
188S94.6Very high96.5Very high51 Ų5142.1 Ų42.136%0.35720%0.197SC..THydrogen-bonded Turntrans-88.96.3179.7-530000113.6N184 A185 K186 V190N184-S188 VanDerWaalsContact O-CB 3.31Å; N184-S188 WeakPolarHBondContact O-CB 3.36Å; N184-S188 PolarHBondContact O-N 3.03Å; N184-S188 PolarHBondContact O-OG 2.76Å; A185-S188 CarbonylContact O-C 3.59Å; A185-S188 PolarHBondContact O-N 3.4Å; A185-S188 VanDerWaalsContact O-N 3.15Å; K186-S188 PolarHBondContact O-N 2.82Å; S188-V190 PolarHBondContact O-N 3.34Å
189H94.4Very high96Very high178 Ų17842.1 Ų42.182%0.82420%0.197SC*.THydrogen-bonded Turntrans55.229.3-175.5-58.1-76.3000114.3A185 K186 K187A185-H189 PolarHBondContact O-N 3.11Å; A185-H189 VanDerWaalsContact O-N 3.16Å; K186-H189 PolarHBondContact O-N 3.45Å; K186-H189 VanDerWaalsContact O-N 3.1Å; K187-H189 VanDerWaalsContact C-N 3.31Å
190V95.5Very high95.2Very high8 Ų838 Ų385%0.04818%0.181CC..  trans-91130.4174.2178.20000109L140 V144 M152 A185 S188 V192L140-V190 HydrophobicContact CD2-CB 4.4Å; L140-V190 HydrophobicContact CD2-CG1 3.98Å; V144-V190 HydrophobicContact CG2-CG2 3.4Å; M152-V190 HydrophobicContact CB-CG1 4.27Å; M152-V190 HydrophobicContact CG-CG1 3.31Å; A185-V190 HydrophobicContact CB-CB 4.36Å; A185-V190 PolarHBondContact O-N 3.29Å; S188-V190 PolarHBondContact O-N 3.34Å; V190-V192 PolarHBondContact O-N 2.64Å
191E95.6Very high94.2Very high77 Ų7734.4 Ų34.436%0.3617%0.167SC..EExtended strand (participates in β ladder)trans-80.5115.3177.1-167.2179.5-168.400110M152 V193M152-E191 PolarHBondContact N-O 3.03Å; E191-V193 HydrophobicContact CG-CG1 3.71Å
192V98.4Very high93.2Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-94.5122.2166.6-174.60000107.5F134 M152 L154 L182 A185 V190 M230F134-V192 HydrophobicContact CE1-CG1 4.28Å; F134-V192 HydrophobicContact CE1-CG2 4.21Å; F134-V192 HydrophobicContact CZ-CG2 3.98Å; M152-V192 HydrophobicContact CB-CG2 4.35Å; M152-V192 WeakPolarHBondContact O-CA 3.4Å; L154-V192 HydrophobicContact CB-CG1 4.45Å; L182-V192 HydrophobicContact CD2-CB 4.04Å; L182-V192 HydrophobicContact CD2-CG1 3.74Å; L182-V192 HydrophobicContact CD2-CG2 4.14Å; A185-V192 HydrophobicContact CB-CG2 3.55Å; V190-V192 PolarHBondContact O-N 2.64Å; V192-M230 HydrophobicContact CG1-CE 4.41Å; V192-M230 HydrophobicContact CG1-SD 4.09Å
193V98.6Very high92.3Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-111.4-8.8-173.6-61.80000113.1L131 K151 M152 V153 E191 M230 H231 V232L131-V193 HydrophobicContact CD2-CG2 3.81Å; K151-V193 HydrophobicContact CB-CB 4.45Å; K151-V193 HydrophobicContact CB-CG1 3.8Å; K151-V193 HydrophobicContact CB-CG2 3.78Å; K151-V193 HydrophobicContact CD-CG1 4.13Å; K151-V193 HydrophobicContact CG-CG1 3.93Å; M152-V193 PolarHBondContact O-N 3.43Å; V153-V193 HydrophobicContact CG2-CG2 4.25Å; E191-V193 HydrophobicContact CG-CG1 3.71Å; V193-M230 CarbonylContact O-C 3.57Å; V193-M230 WeakPolarHBondContact O-CA 3.22Å; V193-H231 PolarHBondContact O-N 3.12Å; V193-V232 HydrophobicContact CG2-CG2 4.22Å; V193-V232 PolarHBondContact O-N 3.03Å
194G98.3Very high91.6Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-174.1-179.7-170.700000115L154 V232L154-G194 PolarHBondContact N-O 3.47Å; G194-V232 CarbonylContact C-O 3.55Å; G194-V232 WeakPolarHBondContact CA-O 3.3Å
195V98.5Very high91.2Very high0 Ų038.5 Ų38.50%021%0.205CC..EExtended strand (participates in β ladder)trans-135.7140.2179.8-169.60000108.9L154 I156 V216 V219 F220 M230 V232 D234L154-V195 CarbonylContact O-C 3.49Å; L154-V195 WeakPolarHBondContact O-CA 3.17Å; L154-V195 WeakPolarHBondContact O-CG1 3.42Å; I156-V195 HydrophobicContact CB-CG1 4.49Å; I156-V195 HydrophobicContact CD1-CG1 4.33Å; I156-V195 HydrophobicContact CG1-CG1 4.17Å; I156-V195 HydrophobicContact CG2-CG1 3.63Å; V195-V216 HydrophobicContact CB-CG1 3.65Å; V195-V216 HydrophobicContact CB-CG2 4.24Å; V195-V216 HydrophobicContact CG1-CB 4.41Å; V195-V216 HydrophobicContact CG1-CG1 4.06Å; V195-V216 HydrophobicContact CG1-CG2 3.82Å; V195-V216 HydrophobicContact CG2-CG1 4.1Å; V195-V219 HydrophobicContact CG1-CG1 4.36Å; V195-V219 HydrophobicContact CG2-CB 4.07Å; V195-V219 HydrophobicContact CG2-CG1 3.58Å; V195-F220 HydrophobicContact CB-CD2 4.36Å; V195-F220 HydrophobicContact CB-CE2 3.98Å; V195-F220 HydrophobicContact CG2-CD2 3.66Å; V195-F220 HydrophobicContact CG2-CE2 3.66Å; V195-M230 HydrophobicContact CG2-CE 3.41Å; V195-M230 VanDerWaalsContact CG2-CE 3.41Å; V195-V232 PolarHBondContact N-O 2.94Å; V195-D234 PolarHBondContact O-N 2.88Å
196S97.8Very high90.9Very high8 Ų839.7 Ų39.76%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-119.9155.9172.767.90000110.7L154 C155 I156 D234L154-S196 PolarHBondContact O-N 3.23Å; C155-S196 CarbonylContact C-O 3.56Å; C155-S196 WeakPolarHBondContact CA-O 3.36Å; C155-S196 WeakPolarHBondContact CA-OG 3.28Å; C155-S196 WeakPolarHBondContact CB-OG 3.32Å; I156-S196 PolarHBondContact N-O 2.98Å; S196-D234 VanDerWaalsContact CA-O 3.25Å; S196-D234 WeakPolarHBondContact CA-O 3.49Å
197F95.4Very high90.8Very high2 Ų240.2 Ų40.21%0.00922%0.216CC..  trans-142.9169.2166.565.8-95.5000110.1I156 T158 I199 Y209 I213 V216 L233 D234 L235 G236I156-F197 HydrophobicContact CD1-CB 4.45Å; I156-F197 HydrophobicContact CG1-CB 3.81Å; T158-F197 HydrophobicContact CG2-CB 3.63Å; T158-F197 HydrophobicContact CG2-CD2 4Å; T158-F197 HydrophobicContact CG2-CG 4.18Å; F197-I199 HydrophobicContact CD2-CD1 3.8Å; F197-I199 HydrophobicContact CD2-CG1 4.04Å; F197-I199 HydrophobicContact CE2-CD1 3.79Å; F197-I199 HydrophobicContact CE2-CG1 3.83Å; F197-Y209 AromaticContact CE2-CD1 3.81Å; F197-Y209 HydrophobicContact CE2-CD1 3.81Å; F197-Y209 HydrophobicContact CE2-CE1 4.27Å; F197-Y209 HydrophobicContact CZ-CD1 4.18Å; F197-I213 HydrophobicContact CE1-CG1 4.05Å; F197-I213 HydrophobicContact CZ-CG1 3.96Å; F197-V216 HydrophobicContact CD1-CG2 3.63Å; F197-V216 HydrophobicContact CE1-CG2 4.11Å; F197-L233 HydrophobicContact CD1-CD1 4.47Å; F197-L233 HydrophobicContact CE1-CD1 4.12Å; F197-D234 PolarHBondContact N-O 2.81Å; F197-D234 VanDerWaalsContact N-O 3.15Å; F197-L235 HydrophobicContact CE1-CD2 3.86Å; F197-L235 WeakPolarHBondContact CE2-O 3.21Å; F197-L235 HydrophobicContact CZ-CB 4.23Å; F197-L235 HydrophobicContact CZ-CD2 3.81Å; F197-L235 CarbonylContact O-C 3.57Å; F197-G236 WeakPolarHBondContact O-CA 3.41Å; F197-G236 PolarHBondContact O-N 2.86Å
198H91.4Very high90.6Very high39 Ų3934.2 Ų34.218%0.18119%0.193CC..  trans-149.3104.4176.7-170.6-58.8000111.3T158 G200 G237T158-H198 PolarHBondContact OG1-O 2.95Å; H198-G200 WeakPolarHBondContact ND1-CA 3.22Å; H198-G200 PolarHBondContact ND1-N 3.17Å; H198-G200 PolarHBondContact O-N 2.88Å; H198-G200 VanDerWaalsContact O-N 3.1Å; H198-G237 PolarHBondContact CD2-N 3.4Å
199I85.5Confident90.6Very high0 Ų032 Ų320%018%0.177CC..  trans-61.4-24.1-175.9-55.6-59.6000113.4T158 D160 F197 C203 A208 Y209 S212T158-I199 HydrophobicContact CG2-CD1 3.98Å; D160-I199 WeakPolarHBondContact CB-O 3.45Å; F197-I199 HydrophobicContact CD2-CD1 3.8Å; F197-I199 HydrophobicContact CD2-CG1 4.04Å; F197-I199 HydrophobicContact CE2-CD1 3.79Å; F197-I199 HydrophobicContact CE2-CG1 3.83Å; I199-C203 HydrophobicContact CG2-CB 3.52Å; I199-A208 HydrophobicContact CD1-CB 4.01Å; I199-A208 WeakPolarHBondContact CD1-O 3.4Å; I199-A208 HydrophobicContact CG2-CB 3.81Å; I199-Y209 HydrophobicContact CB-CE1 4.46Å; I199-Y209 HydrophobicContact CB-CE2 4.22Å; I199-Y209 HydrophobicContact CG1-CD1 3.77Å; I199-Y209 HydrophobicContact CG1-CD2 3.99Å; I199-Y209 HydrophobicContact CG1-CE1 3.7Å; I199-Y209 HydrophobicContact CG1-CE2 3.92Å; I199-Y209 HydrophobicContact CG1-CG 3.92Å; I199-Y209 HydrophobicContact CG2-CE2 4.31Å; I199-S212 WeakPolarHBondContact CD1-OG 3.35Å
200G78.9Confident90.7Very high0 Ų024.3 Ų24.30%014%0.144CC..  trans98.2156.7-177.900000111.5H198 G238H198-G200 WeakPolarHBondContact ND1-CA 3.22Å; H198-G200 PolarHBondContact ND1-N 3.17Å; H198-G200 PolarHBondContact O-N 2.88Å; H198-G200 VanDerWaalsContact O-N 3.1Å; G200-G238 WeakPolarHBondContact O-CA 3.32Å
201S77Confident90.7Very high17 Ų1729.3 Ų29.312%0.11917%0.167CC..THydrogen-bonded Turntrans-72.5136.9-176.5-158.80000111L164 C203 R278L164-S201 VanDerWaalsContact CB-O 3.32Å; L164-S201 WeakPolarHBondContact CB-O 3.44Å; L164-S201 PolarHBondContact N-O 2.82Å; S201-C203 VanDerWaalsContact C-N 3.34Å; S201-C203 PolarHBondContact O-N 3.07Å; S201-R278 VanDerWaalsContact OG-CD 3.32Å; S201-R278 WeakPolarHBondContact OG-CD 3.31Å; S201-R278 PolarHBondContact OG-NE 3.31Å
202G74.3Confident90.7Very high40 Ų4025.9 Ų25.941%0.41215%0.152SC..THydrogen-bonded Turntrans70.524.5173.600000115.2P204G202-P204 WeakPolarHBondContact O-CD 3.47Å
203C80.7Confident90.7Very high15 Ų1525.9 Ų25.910%0.10115%0.152CC..  trans-61.3124.8172.6-175.30000110.5I199 S201 D205I199-C203 HydrophobicContact CG2-CB 3.52Å; S201-C203 VanDerWaalsContact C-N 3.34Å; S201-C203 PolarHBondContact O-N 3.07Å; C203-D205 VanDerWaalsContact C-N 3.32Å
204P82.1Confident90.6Very high61 Ų6126.5 Ų26.540%0.39616%0.157SC..SBendtrans-82.1-7.8-177.734-37000113.6H162 G202 P206 V247H162-P204 HydrophobicContact CB-CG 3.9Å; H162-P204 WeakPolarHBondContact O-CD 3.32Å; G202-P204 WeakPolarHBondContact O-CD 3.47Å; P204-P206 WeakPolarHBondContact O-CD 3.49Å; P204-V247 WeakPolarHBondContact O-CG2 3.45Å
205D88.5Confident90.6Very high73 Ų7327.9 Ų27.939%0.3916%0.164SC..  trans-111.1104.9-179.2-177.411.7000111.4C203 Q207 A208C203-D205 VanDerWaalsContact C-N 3.32Å; D205-Q207 PolarHBondContact O-N 3.19Å; D205-Q207 VanDerWaalsContact OD1-CB 3.29Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.42Å; D205-Q207 PolarHBondContact OD1-N 3.28Å; D205-A208 WeakPolarHBondContact O-CB 3.42Å; D205-A208 PolarHBondContact O-N 3.35Å
206P91.3Very high90.6Very high25 Ų2527.9 Ų27.916%0.16216%0.164CC..THydrogen-bonded Turntrans-56.4-28.4172.6-26.434.5000114.5P204 A208 Y209 V247 I252 V255P204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-A208 PolarHBondContact O-N 3.22Å; P206-Y209 PolarHBondContact O-N 3.31Å; P206-Y209 VanDerWaalsContact O-N 3.1Å; P206-V247 HydrophobicContact CG-CG1 3.64Å; P206-I252 HydrophobicContact CB-CG1 4.48Å; P206-I252 HydrophobicContact CG-CG1 4.43Å; P206-V255 HydrophobicContact CB-CB 4.25Å; P206-V255 HydrophobicContact CB-CG1 4.44Å; P206-V255 HydrophobicContact CB-CG2 3.91Å
207Q93.4Very high90.6Very high109 Ų10931.4 Ų31.451%0.50918%0.176SC..Hα-helixtrans-66.6-19.8-176.2-62.2-58.6-41.300112.6D205 Y209 A210 Q211D205-Q207 PolarHBondContact O-N 3.19Å; D205-Q207 VanDerWaalsContact OD1-CB 3.29Å; D205-Q207 WeakPolarHBondContact OD1-CB 3.42Å; D205-Q207 PolarHBondContact OD1-N 3.28Å; Q207-Y209 PolarHBondContact O-N 3.02Å; Q207-A210 PolarHBondContact O-N 3.07Å; Q207-Q211 PolarHBondContact O-N 2.96Å
208A92.4Very high90.7Very high16 Ų1635 Ų3513%0.13220%0.195CC..Hα-helixtrans-56.5-34.8172.200000112.2I199 D205 P206 S212I199-A208 HydrophobicContact CD1-CB 4.01Å; I199-A208 WeakPolarHBondContact CD1-O 3.4Å; I199-A208 HydrophobicContact CG2-CB 3.81Å; D205-A208 WeakPolarHBondContact O-CB 3.42Å; D205-A208 PolarHBondContact O-N 3.35Å; P206-A208 PolarHBondContact O-N 3.22Å; A208-S212 WeakPolarHBondContact O-CB 2.95Å; A208-S212 PolarHBondContact O-N 3.29Å; A208-S212 PolarHBondContact O-OG 3.29Å
209Y95Very high91.1Very high4 Ų433.1 Ų33.12%0.01619%0.186CC..Hα-helixtrans-67.5-44.5173.2-75.8-87.8000112F197 I199 P206 Q207 Q211 S212 I213 G237 F239 I252 I256F197-Y209 AromaticContact CE2-CD1 3.81Å; F197-Y209 HydrophobicContact CE2-CD1 3.81Å; F197-Y209 HydrophobicContact CE2-CE1 4.27Å; F197-Y209 HydrophobicContact CZ-CD1 4.18Å; I199-Y209 HydrophobicContact CB-CE1 4.46Å; I199-Y209 HydrophobicContact CB-CE2 4.22Å; I199-Y209 HydrophobicContact CG1-CD1 3.77Å; I199-Y209 HydrophobicContact CG1-CD2 3.99Å; I199-Y209 HydrophobicContact CG1-CE1 3.7Å; I199-Y209 HydrophobicContact CG1-CE2 3.92Å; I199-Y209 HydrophobicContact CG1-CG 3.92Å; I199-Y209 HydrophobicContact CG2-CE2 4.31Å; P206-Y209 PolarHBondContact O-N 3.31Å; P206-Y209 VanDerWaalsContact O-N 3.1Å; Q207-Y209 PolarHBondContact O-N 3.02Å; Y209-Q211 PolarHBondContact O-N 3.2Å; Y209-S212 PolarHBondContact O-N 2.91Å; Y209-I213 WeakPolarHBondContact O-CD1 3.41Å; Y209-I213 VanDerWaalsContact O-CG1 3.24Å; Y209-I213 WeakPolarHBondContact O-CG1 3.44Å; Y209-I213 PolarHBondContact O-N 3.09Å; Y209-G237 PolarHBondContact OH-O 3.47Å; Y209-G237 VanDerWaalsContact OH-O 3.07Å; Y209-F239 HydrophobicContact CE1-CE1 4.42Å; Y209-F239 HydrophobicContact CE1-CZ 4.07Å; Y209-I252 HydrophobicContact CD2-CG2 3.76Å; Y209-I252 HydrophobicContact CE2-CG2 3.64Å; Y209-I252 HydrophobicContact CG-CG2 4.37Å; Y209-I256 HydrophobicContact CD1-CD1 3.72Å; Y209-I256 HydrophobicContact CD1-CG1 4.05Å; Y209-I256 HydrophobicContact CE1-CD1 4.12Å; Y209-I256 HydrophobicContact CG-CD1 4Å; Y209-I256 HydrophobicContact CG-CG1 3.98Å
210A96.2Very high91.7Very high17 Ų1733.5 Ų33.514%0.1419%0.188CC..Hα-helixtrans-62.2-44.1179.300000111.7Q207 I213 A214 V255 A259Q207-A210 PolarHBondContact O-N 3.07Å; A210-I213 PolarHBondContact O-N 3.34Å; A210-A214 PolarHBondContact O-N 3.35Å; A210-V255 HydrophobicContact CB-CG1 3.84Å; A210-A259 HydrophobicContact CB-CB 3.99Å
211Q95.4Very high92.6Very high113 Ų11337.2 Ų37.253%0.52821%0.205SC..Hα-helixtrans-61.8-44.8175.1-175.358.956.100111.5Q207 Y209 I213 A214 D215Q207-Q211 PolarHBondContact O-N 2.96Å; Y209-Q211 PolarHBondContact O-N 3.2Å; Q211-I213 VanDerWaalsContact C-N 3.34Å; Q211-I213 PolarHBondContact O-N 3.45Å; Q211-A214 WeakPolarHBondContact O-CB 3.4Å; Q211-A214 PolarHBondContact O-N 3.44Å; Q211-D215 PolarHBondContact NE2-OD1 3.13Å; Q211-D215 VanDerWaalsContact O-CG 3.28Å; Q211-D215 PolarHBondContact O-N 3.48Å
212S95.7Very high93.6Very high5 Ų538.1 Ų38.14%0.03521%0.208CC..Hα-helixtrans-65.1-37.6179.5-58.50000112.2T158 I199 A208 Y209 A214 D215 V216T158-S212 WeakPolarHBondContact CG2-OG 3.25Å; I199-S212 WeakPolarHBondContact CD1-OG 3.35Å; A208-S212 WeakPolarHBondContact O-CB 2.95Å; A208-S212 PolarHBondContact O-N 3.29Å; A208-S212 PolarHBondContact O-OG 3.29Å; Y209-S212 PolarHBondContact O-N 2.91Å; S212-A214 VanDerWaalsContact C-N 3.35Å; S212-D215 WeakPolarHBondContact O-CB 2.9Å; S212-D215 PolarHBondContact O-N 2.71Å; S212-V216 VanDerWaalsContact O-CG2 3.28Å; S212-V216 WeakPolarHBondContact O-CG2 3.31Å; S212-V216 PolarHBondContact O-N 3.38Å
213I98.1Very high94.7Very high0 Ų036.2 Ų36.20%019%0.189CC..Hα-helixtrans-63.8-40.8173.7-68.4163.5000110.8F197 Y209 A210 Q211 D215 V216 R217 L235 I256 A259 L260 Y263 F264F197-I213 HydrophobicContact CE1-CG1 4.05Å; F197-I213 HydrophobicContact CZ-CG1 3.96Å; Y209-I213 WeakPolarHBondContact O-CD1 3.41Å; Y209-I213 VanDerWaalsContact O-CG1 3.24Å; Y209-I213 WeakPolarHBondContact O-CG1 3.44Å; Y209-I213 PolarHBondContact O-N 3.09Å; A210-I213 PolarHBondContact O-N 3.34Å; Q211-I213 VanDerWaalsContact C-N 3.34Å; Q211-I213 PolarHBondContact O-N 3.45Å; I213-D215 VanDerWaalsContact C-N 3.34Å; I213-V216 PolarHBondContact O-N 3.26Å; I213-R217 PolarHBondContact O-N 3.31Å; I213-L235 HydrophobicContact CD1-CD2 4.03Å; I213-L235 HydrophobicContact CG1-CD2 3.89Å; I213-I256 HydrophobicContact CD1-CG2 4.28Å; I213-A259 HydrophobicContact CB-CB 4.19Å; I213-A259 HydrophobicContact CD1-CB 3.74Å; I213-A259 HydrophobicContact CG2-CB 4.13Å; I213-L260 HydrophobicContact CD1-CD2 4.16Å; I213-L260 HydrophobicContact CD1-CG 4.34Å; I213-L260 HydrophobicContact CG2-CD2 4.3Å; I213-Y263 HydrophobicContact CG2-CD2 3.92Å; I213-Y263 HydrophobicContact CG2-CG 4.35Å; I213-F264 HydrophobicContact CG2-CD2 3.82Å; I213-F264 HydrophobicContact CG2-CE2 3.91Å
214A97.8Very high95.5Very high12 Ų1239.7 Ų39.710%0.09921%0.209CC..Hα-helixtrans-62-42.5173.900000111.8A210 Q211 S212 R217 L218 Y263A210-A214 PolarHBondContact O-N 3.35Å; Q211-A214 WeakPolarHBondContact O-CB 3.4Å; Q211-A214 PolarHBondContact O-N 3.44Å; S212-A214 VanDerWaalsContact C-N 3.35Å; A214-R217 WeakPolarHBondContact O-CB 3.38Å; A214-R217 PolarHBondContact O-N 3.32Å; A214-L218 PolarHBondContact O-N 3.04Å; A214-Y263 HydrophobicContact CB-CD2 4.24Å; A214-Y263 HydrophobicContact CB-CE1 3.92Å; A214-Y263 HydrophobicContact CB-CE2 3.61Å; A214-Y263 VanDerWaalsContact CB-CZ 3.43Å
215D97.4Very high96.2Very high29 Ų2943 Ų4316%0.15522%0.219CC..Hα-helixtrans-63.8-42.2177-72.2-4.7000111.4I156 L175 Q211 S212 I213 R217 L218 V219I156-D215 HydrophobicContact CD1-CB 3.97Å; L175-D215 HydrophobicContact CD1-CB 3.97Å; L175-D215 HydrophobicContact CD2-CB 4.04Å; L175-D215 HydrophobicContact CG-CB 4.37Å; Q211-D215 PolarHBondContact NE2-OD1 3.13Å; Q211-D215 VanDerWaalsContact O-CG 3.28Å; Q211-D215 PolarHBondContact O-N 3.48Å; S212-D215 WeakPolarHBondContact O-CB 2.9Å; S212-D215 PolarHBondContact O-N 2.71Å; I213-D215 VanDerWaalsContact C-N 3.34Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 2.82Å; D215-L218 WeakPolarHBondContact O-CB 3.23Å; D215-L218 PolarHBondContact O-N 3.03Å; D215-V219 PolarHBondContact O-N 3.09Å
216V98.1Very high96.7Very high0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-60.3-40.3173.8173.80000111.2I156 V195 F197 S212 I213 L218 V219 F220 L233 F264I156-V216 HydrophobicContact CD1-CG2 3.66Å; I156-V216 HydrophobicContact CG1-CG2 4.41Å; V195-V216 HydrophobicContact CB-CG1 3.65Å; V195-V216 HydrophobicContact CB-CG2 4.24Å; V195-V216 HydrophobicContact CG1-CB 4.41Å; V195-V216 HydrophobicContact CG1-CG1 4.06Å; V195-V216 HydrophobicContact CG1-CG2 3.82Å; V195-V216 HydrophobicContact CG2-CG1 4.1Å; F197-V216 HydrophobicContact CD1-CG2 3.63Å; F197-V216 HydrophobicContact CE1-CG2 4.11Å; S212-V216 VanDerWaalsContact O-CG2 3.28Å; S212-V216 WeakPolarHBondContact O-CG2 3.31Å; S212-V216 PolarHBondContact O-N 3.38Å; I213-V216 PolarHBondContact O-N 3.26Å; V216-L218 VanDerWaalsContact C-N 3.29Å; V216-L218 PolarHBondContact O-N 2.99Å; V216-V219 PolarHBondContact O-N 3.47Å; V216-F220 HydrophobicContact CG1-CD2 3.49Å; V216-F220 VanDerWaalsContact CG1-CD2 3.49Å; V216-F220 HydrophobicContact CG1-CE2 3.43Å; V216-F220 VanDerWaalsContact CG1-CE2 3.43Å; V216-F220 WeakPolarHBondContact O-CD2 3.45Å; V216-F220 PolarHBondContact O-N 3Å; V216-L233 HydrophobicContact CB-CD1 4.11Å; V216-L233 HydrophobicContact CG1-CD1 3.61Å; V216-L233 HydrophobicContact CG2-CD1 3.93Å; V216-F264 HydrophobicContact CB-CZ 4.44Å; V216-F264 HydrophobicContact CG1-CE2 4.29Å; V216-F264 HydrophobicContact CG1-CZ 3.85Å
217R98.3Very high96.9Very high82 Ų8242.2 Ų42.231%0.30922%0.224SC..Hα-helixtrans-57.3-43176.9176.566.8-143.7-170.93.2112.2I213 A214 D215 V219 F220 E221 Y263 F264I213-R217 PolarHBondContact O-N 3.31Å; A214-R217 WeakPolarHBondContact O-CB 3.38Å; A214-R217 PolarHBondContact O-N 3.32Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 2.82Å; R217-V219 VanDerWaalsContact C-N 3.32Å; R217-V219 PolarHBondContact O-N 2.85Å; R217-F220 WeakPolarHBondContact O-CB 3.41Å; R217-F220 PolarHBondContact O-N 3.27Å; R217-E221 IonicContact CZ-OE1 2.89Å; R217-E221 IonicContact NE-OE1 2.72Å; R217-E221 PolarHBondContact NE-OE1 2.97Å; R217-E221 IonicContact NH2-OE1 3.19Å; R217-E221 PolarHBondContact NH2-OE1 3.16Å; R217-E221 WeakPolarHBondContact O-CG 3.47Å; R217-E221 PolarHBondContact O-N 3.18Å; R217-E221 VanDerWaalsContact O-N 3.11Å; R217-Y263 HydrophobicContact CB-CD1 4.08Å; R217-Y263 HydrophobicContact CB-CG 4.36Å; R217-Y263 VanDerWaalsContact CD-O 3.32Å; R217-Y263 WeakPolarHBondContact CD-O 3.41Å; R217-Y263 HydrophobicContact CG-CD1 4.05Å; R217-F264 HydrophobicContact CB-CE2 4.08Å; R217-F264 HydrophobicContact CB-CZ 4.03Å
218L98.1Very high97.1Very high78 Ų7837.6 Ų37.641%0.40820%0.202SC..Hα-helixtrans-61.7-41.4175.5-62174000111.5A214 D215 V216 E221 M222A214-L218 PolarHBondContact O-N 3.04Å; D215-L218 WeakPolarHBondContact O-CB 3.23Å; D215-L218 PolarHBondContact O-N 3.03Å; V216-L218 VanDerWaalsContact C-N 3.29Å; V216-L218 PolarHBondContact O-N 2.99Å; L218-E221 PolarHBondContact O-N 3.42Å; L218-M222 HydrophobicContact CB-CE 4.35Å; L218-M222 WeakPolarHBondContact O-CG 3.5Å; L218-M222 PolarHBondContact O-N 3.33Å
219V98.4Very high97.3Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-68.9-35.5178.4179.80000111.8L154 I156 L175 C178 L182 V195 D215 V216 R217 E221 M222 G223L154-V219 HydrophobicContact CD2-CG1 3.98Å; I156-V219 HydrophobicContact CG2-CG2 4.24Å; L175-V219 HydrophobicContact CD2-CG2 3.48Å; L175-V219 VanDerWaalsContact CD2-CG2 3.48Å; C178-V219 HydrophobicContact CB-CG1 4.3Å; C178-V219 HydrophobicContact CB-CG2 4.05Å; L182-V219 HydrophobicContact CD1-CG1 4.13Å; V195-V219 HydrophobicContact CG1-CG1 4.36Å; V195-V219 HydrophobicContact CG2-CB 4.07Å; V195-V219 HydrophobicContact CG2-CG1 3.58Å; D215-V219 PolarHBondContact O-N 3.09Å; V216-V219 PolarHBondContact O-N 3.47Å; R217-V219 VanDerWaalsContact C-N 3.32Å; R217-V219 PolarHBondContact O-N 2.85Å; V219-E221 VanDerWaalsContact C-N 3.32Å; V219-E221 PolarHBondContact O-N 2.96Å; V219-M222 PolarHBondContact O-N 3.32Å; V219-G223 PolarHBondContact O-N 3.48Å
220F98.5Very high97.5Very high8 Ų845.2 Ų45.24%0.03523%0.233CC..Hα-helixtrans-60-41.7172-95.4-118.7000111.9V195 V216 R217 G223 T224 M230 V232 L233 F264 V270V195-F220 HydrophobicContact CB-CD2 4.36Å; V195-F220 HydrophobicContact CB-CE2 3.98Å; V195-F220 HydrophobicContact CG2-CD2 3.66Å; V195-F220 HydrophobicContact CG2-CE2 3.66Å; V216-F220 HydrophobicContact CG1-CD2 3.49Å; V216-F220 VanDerWaalsContact CG1-CD2 3.49Å; V216-F220 HydrophobicContact CG1-CE2 3.43Å; V216-F220 VanDerWaalsContact CG1-CE2 3.43Å; V216-F220 WeakPolarHBondContact O-CD2 3.45Å; V216-F220 PolarHBondContact O-N 3Å; R217-F220 WeakPolarHBondContact O-CB 3.41Å; R217-F220 PolarHBondContact O-N 3.27Å; F220-G223 PolarHBondContact O-N 3.24Å; F220-T224 WeakPolarHBondContact O-CB 3.48Å; F220-T224 PolarHBondContact O-N 2.83Å; F220-T224 PolarHBondContact O-OG1 3.22Å; F220-M230 HydrophobicContact CD1-CB 3.4Å; F220-M230 VanDerWaalsContact CD1-CB 3.4Å; F220-M230 HydrophobicContact CD1-CG 4.42Å; F220-M230 HydrophobicContact CD2-CE 3.98Å; F220-M230 HydrophobicContact CE1-CB 3.62Å; F220-M230 HydrophobicContact CE2-CE 4.2Å; F220-M230 HydrophobicContact CG-CB 3.91Å; F220-M230 HydrophobicContact CG-CE 4.34Å; F220-M230 HydrophobicContact CG-CG 4.49Å; F220-M230 HydrophobicContact CZ-CB 4.29Å; F220-V232 VanDerWaalsContact CZ-O 3.27Å; F220-V232 WeakPolarHBondContact CZ-O 3.47Å; F220-L233 HydrophobicContact CZ-CB 4.3Å; F220-F264 AromaticContact CD1-CE1 3.77Å; F220-F264 HydrophobicContact CD1-CE1 3.77Å; F220-F264 HydrophobicContact CD1-CZ 4.49Å; F220-F264 HydrophobicContact CD2-CE1 4.19Å; F220-F264 HydrophobicContact CD2-CZ 4.14Å; F220-F264 AromaticContact CE1-CE1 3.87Å; F220-F264 HydrophobicContact CE1-CE1 3.87Å; F220-F264 HydrophobicContact CE2-CE1 4.27Å; F220-F264 HydrophobicContact CE2-CZ 4.33Å; F220-F264 AromaticContact CG-CE1 3.93Å; F220-F264 HydrophobicContact CG-CE1 3.93Å; F220-F264 HydrophobicContact CG-CZ 4.2Å; F220-F264 HydrophobicContact CZ-CE1 4.1Å; F220-V270 HydrophobicContact CE1-CG1 4.16Å; F220-V270 HydrophobicContact CE1-CG2 3.81Å; F220-V270 HydrophobicContact CZ-CG1 4.19Å
221E98Very high97.6Very high78 Ų7847.4 Ų47.436%0.36424%0.24SC..Hα-helixtrans-64.1-48.2175.9-72.1169.3-17500111.2R217 L218 V219 G223 T224 E225R217-E221 IonicContact CZ-OE1 2.89Å; R217-E221 IonicContact NE-OE1 2.72Å; R217-E221 PolarHBondContact NE-OE1 2.97Å; R217-E221 IonicContact NH2-OE1 3.19Å; R217-E221 PolarHBondContact NH2-OE1 3.16Å; R217-E221 WeakPolarHBondContact O-CG 3.47Å; R217-E221 PolarHBondContact O-N 3.18Å; R217-E221 VanDerWaalsContact O-N 3.11Å; L218-E221 PolarHBondContact O-N 3.42Å; V219-E221 VanDerWaalsContact C-N 3.32Å; V219-E221 PolarHBondContact O-N 2.96Å; E221-G223 VanDerWaalsContact C-N 3.3Å; E221-G223 PolarHBondContact O-N 2.93Å; E221-T224 PolarHBondContact O-N 2.78Å; E221-E225 WeakPolarHBondContact O-CG 3.5Å; E221-E225 PolarHBondContact O-N 3.39Å
222M98.1Very high97.7Very high36 Ų3642.3 Ų42.318%0.17722%0.216CC..Hα-helixtrans-56.6-43.9174.2-64-179.6-151.200112R179 L182 L218 V219 L226R179-M222 HydrophobicContact CB-SD 3.94Å; L182-M222 HydrophobicContact CD1-CB 3.99Å; L218-M222 HydrophobicContact CB-CE 4.35Å; L218-M222 WeakPolarHBondContact O-CG 3.5Å; L218-M222 PolarHBondContact O-N 3.33Å; V219-M222 PolarHBondContact O-N 3.32Å; M222-L226 WeakPolarHBondContact O-CD1 3.45Å; M222-L226 VanDerWaalsContact O-CG 3.28Å; M222-L226 WeakPolarHBondContact O-CG 3.28Å; M222-L226 PolarHBondContact O-N 3.28Å
223G97.9Very high97.9Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-62.9-44.9178.300000112.1V219 F220 E221 L226 G227 H228V219-G223 PolarHBondContact O-N 3.48Å; F220-G223 PolarHBondContact O-N 3.24Å; E221-G223 VanDerWaalsContact C-N 3.3Å; E221-G223 PolarHBondContact O-N 2.93Å; G223-L226 CarbonylContact O-C 3.22Å; G223-L226 PolarHBondContact O-N 2.89Å; G223-G227 PolarHBondContact O-N 3.31Å; G223-H228 WeakPolarHBondContact O-CB 3.38Å; G223-H228 PolarHBondContact O-N 2.9Å
224T96.8Very high97.9Very high87 Ų8742.1 Ų42.153%0.53422%0.215SC..Hα-helixtrans-64.5-43.4-179.9-56.70000111.7F220 E221 L226 G227F220-T224 WeakPolarHBondContact O-CB 3.48Å; F220-T224 PolarHBondContact O-N 2.83Å; F220-T224 PolarHBondContact O-OG1 3.22Å; E221-T224 PolarHBondContact O-N 2.78Å; T224-L226 PolarHBondContact O-N 3.29Å; T224-G227 WeakPolarHBondContact O-CA 3.29Å; T224-G227 PolarHBondContact O-N 3.46Å
225E97.6Very high97.9Very high131 Ų13141.6 Ų41.661%0.61221%0.211SC*.Hα-helixtrans-58-36.5174.2-73.2173.7-168.300112.7R179 E221 G227R179-E225 IonicContact CZ-OE2 3.64Å; R179-E225 IonicContact NH1-OE2 2.77Å; R179-E225 PolarHBondContact NH1-OE2 2.88Å; R179-E225 IonicContact NH2-OE2 3.68Å; R179-E225 PolarHBondContact NH2-OE2 2.85Å; E221-E225 WeakPolarHBondContact O-CG 3.5Å; E221-E225 PolarHBondContact O-N 3.39Å; E225-G227 PolarHBondContact O-N 3.26Å
226L97.4Very high97.7Very high40 Ų4040.2 Ų40.221%0.20920%0.204CC..THydrogen-bonded Turntrans-81.60.3177-65170.5000112.9R179 L182 E183 K186 M222 G223 T224R179-L226 HydrophobicContact CG-CD1 4.46Å; L182-L226 HydrophobicContact CB-CD1 3.52Å; E183-L226 HydrophobicContact CG-CD1 3.86Å; E183-L226 HydrophobicContact CG-CD2 3.73Å; E183-L226 HydrophobicContact CG-CG 4.47Å; K186-L226 WeakPolarHBondContact CD-O 3.49Å; K186-L226 VanDerWaalsContact CE-O 3.27Å; K186-L226 WeakPolarHBondContact CE-O 3.45Å; M222-L226 WeakPolarHBondContact O-CD1 3.45Å; M222-L226 VanDerWaalsContact O-CG 3.28Å; M222-L226 WeakPolarHBondContact O-CG 3.28Å; M222-L226 PolarHBondContact O-N 3.28Å; G223-L226 CarbonylContact O-C 3.22Å; G223-L226 PolarHBondContact O-N 2.89Å; T224-L226 PolarHBondContact O-N 3.29Å
227G97Very high97.3Very high42 Ų4240.3 Ų40.343%0.43321%0.205SC..THydrogen-bonded Turntrans79.326.7177.500000114.5K186 G223 T224 E225K186-G227 PolarHBondContact NZ-O 2.81Å; G223-G227 PolarHBondContact O-N 3.31Å; T224-G227 WeakPolarHBondContact O-CA 3.29Å; T224-G227 PolarHBondContact O-N 3.46Å; E225-G227 PolarHBondContact O-N 3.26Å
228H97.8Very high96.8Very high11 Ų1137.2 Ų37.25%0.05120%0.198CC..  trans-83.5147.1166.6-67.6-67.5000110.5L182 G223 M230L182-H228 PolarHBondContact O-NE2 2.77Å; G223-H228 WeakPolarHBondContact O-CB 3.38Å; G223-H228 PolarHBondContact O-N 2.9Å; H228-M230 HydrophobicContact CB-CG 4.31Å; H228-M230 HydrophobicContact CB-SD 4.01Å; H228-M230 PolarHBondContact O-N 3.13Å
229K96.6Very high96.5Very high159 Ų15933.7 Ų33.769%0.69118%0.179SC*.  trans-95.979.7178-68.2-178.3-179.9179.20109.4H231K229-H231 PolarHBondContact O-N 2.8Å; K229-H231 PolarHBondContact O-ND1 3.14Å
230M98.1Very high96.2Very high21 Ų2134.7 Ų34.710%0.10319%0.186CC..  trans-75.1116.9-177.2-54.6-65.5-75.900110.4V192 V193 V195 F220 H228V192-M230 HydrophobicContact CG1-CE 4.41Å; V192-M230 HydrophobicContact CG1-SD 4.09Å; V193-M230 CarbonylContact O-C 3.57Å; V193-M230 WeakPolarHBondContact O-CA 3.22Å; V195-M230 HydrophobicContact CG2-CE 3.41Å; V195-M230 VanDerWaalsContact CG2-CE 3.41Å; F220-M230 HydrophobicContact CD1-CB 3.4Å; F220-M230 VanDerWaalsContact CD1-CB 3.4Å; F220-M230 HydrophobicContact CD1-CG 4.42Å; F220-M230 HydrophobicContact CD2-CE 3.98Å; F220-M230 HydrophobicContact CE1-CB 3.62Å; F220-M230 HydrophobicContact CE2-CE 4.2Å; F220-M230 HydrophobicContact CG-CB 3.91Å; F220-M230 HydrophobicContact CG-CE 4.34Å; F220-M230 HydrophobicContact CG-CG 4.49Å; F220-M230 HydrophobicContact CZ-CB 4.29Å; H228-M230 HydrophobicContact CB-CG 4.31Å; H228-M230 HydrophobicContact CB-SD 4.01Å; H228-M230 PolarHBondContact O-N 3.13Å
231H98.1Very high95.9Very high64 Ų6434.6 Ų34.630%0.29619%0.187SC..  trans-147.36.1-177.763.6-82.1000114V193 K229 V270 D271V193-H231 PolarHBondContact O-N 3.12Å; K229-H231 PolarHBondContact O-N 2.8Å; K229-H231 PolarHBondContact O-ND1 3.14Å; H231-V270 CarbonylContact O-C 3.57Å; H231-V270 WeakPolarHBondContact O-CA 3.33Å; H231-D271 PolarHBondContact O-N 3.32Å
232V98.5Very high95.4Very high5 Ų532.9 Ų32.93%0.0318%0.182CC..EExtended strand (participates in β ladder)trans-123.6121176.8178.20000110V153 V193 G194 V195 F220 D271 L273V153-V232 HydrophobicContact CG2-CG1 4.45Å; V193-V232 HydrophobicContact CG2-CG2 4.22Å; V193-V232 PolarHBondContact O-N 3.03Å; G194-V232 CarbonylContact C-O 3.55Å; G194-V232 WeakPolarHBondContact CA-O 3.3Å; V195-V232 PolarHBondContact N-O 2.94Å; F220-V232 VanDerWaalsContact CZ-O 3.27Å; F220-V232 WeakPolarHBondContact CZ-O 3.47Å; V232-D271 WeakPolarHBondContact CA-O 3.4Å; V232-L273 HydrophobicContact CG1-CD1 3.93Å; V232-L273 HydrophobicContact CG1-CG 4.34Å
233L98.6Very high94.5Very high0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-111.6124.8167.616360.6000108F197 V216 F220 L235 L260 F264 V270 D271 I272 L273F197-L233 HydrophobicContact CD1-CD1 4.47Å; F197-L233 HydrophobicContact CE1-CD1 4.12Å; V216-L233 HydrophobicContact CB-CD1 4.11Å; V216-L233 HydrophobicContact CG1-CD1 3.61Å; V216-L233 HydrophobicContact CG2-CD1 3.93Å; F220-L233 HydrophobicContact CZ-CB 4.3Å; L233-L235 HydrophobicContact CD1-CD2 4.12Å; L233-L235 HydrophobicContact CD2-CD2 3.88Å; L233-L235 HydrophobicContact CG-CD2 3.96Å; L233-L260 HydrophobicContact CD2-CD2 3.76Å; L233-F264 HydrophobicContact CD2-CD2 3.78Å; L233-F264 HydrophobicContact CD2-CE2 3.9Å; L233-F264 HydrophobicContact CD2-CG 4.23Å; L233-F264 HydrophobicContact CD2-CZ 4.44Å; L233-V270 HydrophobicContact CB-CG1 3.85Å; L233-D271 PolarHBondContact N-O 3.2Å; L233-I272 HydrophobicContact CB-CG1 4.5Å; L233-I272 HydrophobicContact CD2-CG1 4.43Å; L233-I272 HydrophobicContact CD2-CG2 4.22Å; L233-I272 HydrophobicContact CG-CG2 4.29Å; L233-I272 CarbonylContact O-C 3.55Å; L233-I272 WeakPolarHBondContact O-CA 3.48Å; L233-L273 PolarHBondContact O-N 2.85Å
234D98.4Very high93.5Very high2 Ų243.8 Ų43.81%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-112115.4172.6179.36000110.1V195 S196 F197 G236 L273V195-D234 PolarHBondContact O-N 2.88Å; S196-D234 VanDerWaalsContact CA-O 3.25Å; S196-D234 WeakPolarHBondContact CA-O 3.49Å; F197-D234 PolarHBondContact N-O 2.81Å; F197-D234 VanDerWaalsContact N-O 3.15Å; D234-G236 PolarHBondContact O-N 3.23Å; D234-G236 PolarHBondContact OD1-N 3.1Å; D234-L273 HydrophobicContact CB-CB 4.33Å
235L97.4Very high92.7Very high0 Ų041.1 Ų41.10%024%0.241CC..  trans-74.1-6.9-179.5-56.5177.7000112.8V63 F197 I213 L233 I256 L260 I272 L273 A274V63-L235 HydrophobicContact CG1-CD1 4.05Å; V63-L235 HydrophobicContact CG2-CD1 3.97Å; F197-L235 HydrophobicContact CE1-CD2 3.86Å; F197-L235 WeakPolarHBondContact CE2-O 3.21Å; F197-L235 HydrophobicContact CZ-CB 4.23Å; F197-L235 HydrophobicContact CZ-CD2 3.81Å; F197-L235 CarbonylContact O-C 3.57Å; I213-L235 HydrophobicContact CD1-CD2 4.03Å; I213-L235 HydrophobicContact CG1-CD2 3.89Å; L233-L235 HydrophobicContact CD1-CD2 4.12Å; L233-L235 HydrophobicContact CD2-CD2 3.88Å; L233-L235 HydrophobicContact CG-CD2 3.96Å; L235-I256 HydrophobicContact CD1-CG2 3.82Å; L235-L260 HydrophobicContact CD2-CD2 4.41Å; L235-I272 HydrophobicContact CD1-CG2 3.89Å; L235-I272 HydrophobicContact CD2-CG2 4.37Å; L235-I272 HydrophobicContact CG-CG2 3.96Å; L235-L273 WeakPolarHBondContact CB-O 3.41Å; L235-L273 WeakPolarHBondContact CG-O 3.32Å; L235-L273 PolarHBondContact N-O 3.45Å; L235-A274 HydrophobicContact CB-CB 4.29Å
236G93.9Very high92.1Very high1 Ų144.6 Ų44.61%0.0125%0.253CS..  trans63.1-148.8-174.900000112.4F197 D234 E275F197-G236 WeakPolarHBondContact O-CA 3.41Å; F197-G236 PolarHBondContact O-N 2.86Å; D234-G236 PolarHBondContact O-N 3.23Å; D234-G236 PolarHBondContact OD1-N 3.1Å; G236-E275 PolarHBondContact O-N 3.25Å
237G90.8Very high91.6Very high2 Ų243.6 Ų43.62%0.02125%0.249CC..  trans-122.8-162.9-177.300000113.3H198 Y209 E275H198-G237 PolarHBondContact CD2-N 3.4Å; Y209-G237 PolarHBondContact OH-O 3.47Å; Y209-G237 VanDerWaalsContact OH-O 3.07Å; G237-E275 WeakPolarHBondContact CA-O 3.43Å
238G87.1Confident91.3Very high16 Ų1647.8 Ų47.817%0.16525%0.252CS..  trans113.5-4.3-178.800000114.2G200G200-G238 WeakPolarHBondContact O-CA 3.32Å
239F92.4Very high91.2Very high4 Ų447.7 Ų47.72%0.01825%0.251CS..  trans-61.4140.2176.9-57.3-84.5000112.8L60 Y209 F249 I252 I256 A274 L276 Y279L60-F239 HydrophobicContact CD1-CE1 4.24Å; Y209-F239 HydrophobicContact CE1-CE1 4.42Å; Y209-F239 HydrophobicContact CE1-CZ 4.07Å; F239-F249 HydrophobicContact CB-CD2 4.36Å; F239-F249 AromaticContact CD1-CD2 3.78Å; F239-F249 HydrophobicContact CD1-CD2 3.78Å; F239-F249 AromaticContact CD1-CE2 3.71Å; F239-F249 HydrophobicContact CD1-CE2 3.71Å; F239-F249 HydrophobicContact CE1-CE2 4.17Å; F239-F249 HydrophobicContact CG-CD2 4.43Å; F239-F249 HydrophobicContact CG-CE2 4.4Å; F239-I252 HydrophobicContact CD1-CG2 4.09Å; F239-I252 HydrophobicContact CE1-CG2 3.9Å; F239-I256 HydrophobicContact CE1-CD1 3.61Å; F239-I256 HydrophobicContact CZ-CD1 3.86Å; F239-A274 HydrophobicContact CE2-CB 4.14Å; F239-A274 HydrophobicContact CZ-CB 4.44Å; F239-L276 HydrophobicContact CB-CD2 4.17Å; F239-L276 HydrophobicContact CD2-CD2 3.41Å; F239-L276 VanDerWaalsContact CD2-CD2 3.41Å; F239-L276 HydrophobicContact CE2-CD2 3.94Å; F239-L276 HydrophobicContact CG-CD2 3.87Å; F239-Y279 HydrophobicContact CB-CD2 4.17Å; F239-Y279 HydrophobicContact CB-CG 4.36Å
240P92.3Very high91.1Very high21 Ų2144.1 Ų44.114%0.13624%0.237CC..  trans-70.3137.2-175.928.7-35.4000112.6A245 F249 I252 Y279P240-A245 HydrophobicContact CB-CB 3.57Å; P240-A245 HydrophobicContact CG-CB 4.43Å; P240-F249 HydrophobicContact CG-CB 4.11Å; P240-I252 HydrophobicContact CG-CD1 4.38Å; P240-Y279 WeakPolarHBondContact O-CD2 3.44Å
241G90.9Very high91Very high6 Ų646.9 Ų46.96%0.06225%0.25CC..SBendtrans-85.5-17.2177.400000115.1K52 R278 S283K52-G241 PolarHBondContact NZ-O 2.9Å; G241-R278 WeakPolarHBondContact CA-O 3.45Å; G241-S283 PolarHBondContact O-OG 2.94Å
242T88.7Confident90.8Very high43 Ų4344.2 Ų44.226%0.26424%0.237SC..SBendtrans-125.5154.2-173.762.70000111.3G244 T282 N386T242-G244 VanDerWaalsContact C-N 3.34Å; T242-T282 HydrophobicContact CG2-CG2 3.55Å; T242-N386 HydrophobicContact CG2-CB 4.02Å; T242-N386 WeakPolarHBondContact CG2-OD1 3.38Å
243E78.8Confident90.8Very high186 Ų18644 Ų4487%0.86924%0.236SC*.THydrogen-bonded Turntrans-74.2-25.5177.4-65-178.3177.100112.6A245E243-A245 PolarHBondContact O-N 3.39Å
244G76.8Confident90.7Very high78 Ų7847.4 Ų47.480%0.80426%0.26SS*.THydrogen-bonded Turntrans-78.711.5177.300000114.9T242T242-G244 VanDerWaalsContact C-N 3.34Å
245A80.7Confident90.7Very high32 Ų3248.6 Ų48.626%0.26427%0.268SS..SBendtrans-67.4149.5175.600000111.1P240 E243 V247P240-A245 HydrophobicContact CB-CB 3.57Å; P240-A245 HydrophobicContact CG-CB 4.43Å; E243-A245 PolarHBondContact O-N 3.39Å; A245-V247 WeakPolarHBondContact CB-O 3.26Å; A245-V247 PolarHBondContact O-N 3.43Å
246K83.6Confident90.8Very high203 Ų20348.6 Ų48.688%0.88327%0.268SS*.SBendtrans-56.6-34.8178-70.6-176.1179.1178.40112.9
247V87.3Confident91Very high19 Ų1950.3 Ų50.312%0.11528%0.276CS..SBendtrans-121.3127.9177.6-179.80000107.3P204 P206 A245 E251 I252P204-V247 WeakPolarHBondContact O-CG2 3.45Å; P206-V247 HydrophobicContact CG-CG1 3.64Å; A245-V247 WeakPolarHBondContact CB-O 3.26Å; A245-V247 PolarHBondContact O-N 3.43Å; V247-E251 HydrophobicContact CG1-CB 4.46Å; V247-I252 HydrophobicContact CG1-CD1 3.95Å; V247-I252 HydrophobicContact CG1-CG1 3.61Å
248R92Very high91.3Very high131 Ų13153.8 Ų53.849%0.49430%0.3SS..  trans-80.6155.4179.7-61.8-173.6-60.2146.18.7111.4E250 E251 I252R248-E250 VanDerWaalsContact C-N 3.31Å; R248-E250 PolarHBondContact O-N 3.09Å; R248-E251 HydrophobicContact CB-CG 4.4Å; R248-E251 IonicContact CZ-OE1 3.31Å; R248-E251 VanDerWaalsContact CZ-OE1 3.31Å; R248-E251 IonicContact NE-OE1 2.77Å; R248-E251 PolarHBondContact NE-OE1 3.41Å; R248-E251 IonicContact NH2-OE1 2.95Å; R248-E251 PolarHBondContact NH2-OE1 3.02Å; R248-E251 PolarHBondContact O-N 2.86Å; R248-I252 PolarHBondContact O-N 3.27Å
249F94.4Very high91.9Very high9 Ų953.3 Ų53.34%0.03930%0.295CS..Hα-helixtrans-60.5-41.7179.6168.5-110.9000112.2F56 C59 L60 F239 P240 E251 I252 A253 Y279F56-F249 HydrophobicContact CB-CZ 4.37Å; F56-F249 HydrophobicContact CD2-CE2 4.01Å; F56-F249 AromaticContact CD2-CZ 3.58Å; F56-F249 HydrophobicContact CD2-CZ 3.58Å; F56-F249 HydrophobicContact CE2-CE2 4.41Å; F56-F249 HydrophobicContact CE2-CZ 4.24Å; F56-F249 HydrophobicContact CG-CZ 4.33Å; C59-F249 HydrophobicContact CB-CD1 4.36Å; C59-F249 HydrophobicContact CB-CE1 3.54Å; C59-F249 HydrophobicContact CB-CZ 4.06Å; L60-F249 HydrophobicContact CD1-CE2 4.12Å; L60-F249 HydrophobicContact CD1-CZ 4.07Å; L60-F249 HydrophobicContact CG-CZ 4.45Å; F239-F249 HydrophobicContact CB-CD2 4.36Å; F239-F249 AromaticContact CD1-CD2 3.78Å; F239-F249 HydrophobicContact CD1-CD2 3.78Å; F239-F249 AromaticContact CD1-CE2 3.71Å; F239-F249 HydrophobicContact CD1-CE2 3.71Å; F239-F249 HydrophobicContact CE1-CE2 4.17Å; F239-F249 HydrophobicContact CG-CD2 4.43Å; F239-F249 HydrophobicContact CG-CE2 4.4Å; P240-F249 HydrophobicContact CG-CB 4.11Å; F249-E251 VanDerWaalsContact C-N 3.25Å; F249-E251 PolarHBondContact O-N 3.03Å; F249-I252 PolarHBondContact O-N 3.17Å; F249-A253 HydrophobicContact CZ-CB 4.43Å; F249-A253 WeakPolarHBondContact O-CB 3.47Å; F249-A253 PolarHBondContact O-N 3.37Å; F249-Y279 HydrophobicContact CB-CE2 4.07Å; F249-Y279 AromaticContact CD1-CE2 3.7Å; F249-Y279 HydrophobicContact CD1-CE2 3.7Å; F249-Y279 AromaticContact CD2-CD2 3.93Å; F249-Y279 HydrophobicContact CD2-CD2 3.93Å; F249-Y279 AromaticContact CD2-CE2 3.56Å; F249-Y279 HydrophobicContact CD2-CE2 3.56Å; F249-Y279 AromaticContact CE1-CE2 3.97Å; F249-Y279 HydrophobicContact CE1-CE2 3.97Å; F249-Y279 AromaticContact CE1-CZ 3.96Å; F249-Y279 WeakPolarHBondContact CE1-OH 3.35Å; F249-Y279 HydrophobicContact CE2-CD2 4.31Å; F249-Y279 AromaticContact CE2-CE2 3.87Å; F249-Y279 HydrophobicContact CE2-CE2 3.87Å; F249-Y279 HydrophobicContact CG-CD2 4.2Å; F249-Y279 AromaticContact CG-CE2 3.48Å; F249-Y279 HydrophobicContact CG-CE2 3.48Å; F249-Y279 VanDerWaalsContact CG-CE2 3.48Å; F249-Y279 HydrophobicContact CZ-CE2 4.07Å
250E95Very high92.2Very high84 Ų8453.1 Ų53.139%0.39329%0.294SS..Hα-helixtrans-62.1-34.5-178.5-63.378.7-176.600112R248 A253 S254R248-E250 VanDerWaalsContact C-N 3.31Å; R248-E250 PolarHBondContact O-N 3.09Å; E250-A253 PolarHBondContact O-N 3.18Å; E250-S254 WeakPolarHBondContact O-CB 3.08Å; E250-S254 PolarHBondContact O-N 2.9Å
251E94.9Very high92.5Very high79 Ų7956.5 Ų56.537%0.36931%0.311SS..Hα-helixtrans-69.3-44.4177.2-68.9166.3-14900110.9V247 R248 F249 A253 S254 V255V247-E251 HydrophobicContact CG1-CB 4.46Å; R248-E251 HydrophobicContact CB-CG 4.4Å; R248-E251 IonicContact CZ-OE1 3.31Å; R248-E251 VanDerWaalsContact CZ-OE1 3.31Å; R248-E251 IonicContact NE-OE1 2.77Å; R248-E251 PolarHBondContact NE-OE1 3.41Å; R248-E251 IonicContact NH2-OE1 2.95Å; R248-E251 PolarHBondContact NH2-OE1 3.02Å; R248-E251 PolarHBondContact O-N 2.86Å; F249-E251 VanDerWaalsContact C-N 3.25Å; F249-E251 PolarHBondContact O-N 3.03Å; E251-A253 VanDerWaalsContact C-N 3.35Å; E251-S254 PolarHBondContact O-N 2.9Å; E251-V255 WeakPolarHBondContact O-CG2 3.36Å; E251-V255 PolarHBondContact O-N 3.17Å
252I95.8Very high92.8Very high7 Ų762.1 Ų62.14%0.03634%0.339CS..Hα-helixtrans-61.2-46.3173.4-62.2170.8000110P206 Y209 F239 P240 V247 R248 F249 S254 V255 I256P206-I252 HydrophobicContact CB-CG1 4.48Å; P206-I252 HydrophobicContact CG-CG1 4.43Å; Y209-I252 HydrophobicContact CD2-CG2 3.76Å; Y209-I252 HydrophobicContact CE2-CG2 3.64Å; Y209-I252 HydrophobicContact CG-CG2 4.37Å; F239-I252 HydrophobicContact CD1-CG2 4.09Å; F239-I252 HydrophobicContact CE1-CG2 3.9Å; P240-I252 HydrophobicContact CG-CD1 4.38Å; V247-I252 HydrophobicContact CG1-CD1 3.95Å; V247-I252 HydrophobicContact CG1-CG1 3.61Å; R248-I252 PolarHBondContact O-N 3.27Å; F249-I252 PolarHBondContact O-N 3.17Å; I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 3.05Å; I252-V255 PolarHBondContact O-N 2.93Å; I252-I256 HydrophobicContact CG2-CD1 3.69Å; I252-I256 HydrophobicContact CG2-CG1 4.3Å; I252-I256 WeakPolarHBondContact O-CG1 3.38Å; I252-I256 PolarHBondContact O-N 2.87Å
253A97.2Very high93.3Very high1 Ų163.9 Ų63.91%0.00834%0.341CS..Hα-helixtrans-61-41.2-179.500000112.4C59 L60 F249 E250 E251 V255 I256 N257C59-A253 HydrophobicContact CB-CB 3.7Å; L60-A253 HydrophobicContact CD1-CB 4.38Å; L60-A253 HydrophobicContact CD2-CB 3.92Å; L60-A253 HydrophobicContact CG-CB 3.84Å; F249-A253 HydrophobicContact CZ-CB 4.43Å; F249-A253 WeakPolarHBondContact O-CB 3.47Å; F249-A253 PolarHBondContact O-N 3.37Å; E250-A253 PolarHBondContact O-N 3.18Å; E251-A253 VanDerWaalsContact C-N 3.35Å; A253-V255 VanDerWaalsContact C-N 3.34Å; A253-V255 PolarHBondContact O-N 3.47Å; A253-I256 PolarHBondContact O-N 3.27Å; A253-N257 WeakPolarHBondContact O-CB 3.24Å; A253-N257 PolarHBondContact O-N 3.25Å; A253-N257 PolarHBondContact O-ND2 2.88Å
254S97.8Very high94.2Very high72 Ų7255 Ų5550%0.50330%0.3SS..Hα-helixtrans-61.1-41.2176-173.20000112.7E250 E251 I252 S258E250-S254 WeakPolarHBondContact O-CB 3.08Å; E250-S254 PolarHBondContact O-N 2.9Å; E251-S254 PolarHBondContact O-N 2.9Å; I252-S254 VanDerWaalsContact C-N 3.34Å; I252-S254 PolarHBondContact O-N 3.05Å; S254-S258 PolarHBondContact O-N 2.95Å; S254-S258 PolarHBondContact O-OG 3.18Å
255V97.8Very high95.2Very high27 Ų2754.4 Ų54.416%0.16428%0.282CS..Hα-helixtrans-68.1-43.8176.7173.10000110.7P206 A210 E251 I252 A253 S258 A259P206-V255 HydrophobicContact CB-CB 4.25Å; P206-V255 HydrophobicContact CB-CG1 4.44Å; P206-V255 HydrophobicContact CB-CG2 3.91Å; A210-V255 HydrophobicContact CB-CG1 3.84Å; E251-V255 WeakPolarHBondContact O-CG2 3.36Å; E251-V255 PolarHBondContact O-N 3.17Å; I252-V255 PolarHBondContact O-N 2.93Å; A253-V255 VanDerWaalsContact C-N 3.34Å; A253-V255 PolarHBondContact O-N 3.47Å; V255-S258 PolarHBondContact O-N 3.45Å; V255-A259 PolarHBondContact O-N 3.44Å
256I98.1Very high95.8Very high0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-59.2-51175.9-72.1171.6000110.8L60 Y209 I213 L235 F239 I252 A253 S258 A259 L260L60-I256 HydrophobicContact CD2-CB 4.05Å; L60-I256 HydrophobicContact CD2-CG2 3.67Å; Y209-I256 HydrophobicContact CD1-CD1 3.72Å; Y209-I256 HydrophobicContact CD1-CG1 4.05Å; Y209-I256 HydrophobicContact CE1-CD1 4.12Å; Y209-I256 HydrophobicContact CG-CD1 4Å; Y209-I256 HydrophobicContact CG-CG1 3.98Å; I213-I256 HydrophobicContact CD1-CG2 4.28Å; L235-I256 HydrophobicContact CD1-CG2 3.82Å; F239-I256 HydrophobicContact CE1-CD1 3.61Å; F239-I256 HydrophobicContact CZ-CD1 3.86Å; I252-I256 HydrophobicContact CG2-CD1 3.69Å; I252-I256 HydrophobicContact CG2-CG1 4.3Å; I252-I256 WeakPolarHBondContact O-CG1 3.38Å; I252-I256 PolarHBondContact O-N 2.87Å; A253-I256 PolarHBondContact O-N 3.27Å; I256-S258 VanDerWaalsContact C-N 3.3Å; I256-S258 PolarHBondContact O-N 3.23Å; I256-A259 PolarHBondContact O-N 3.05Å; I256-A259 VanDerWaalsContact O-N 3.14Å; I256-L260 HydrophobicContact CG2-CD1 3.65Å; I256-L260 HydrophobicContact CG2-CG 3.98Å; I256-L260 WeakPolarHBondContact O-CB 3.5Å; I256-L260 VanDerWaalsContact O-CG 3.3Å; I256-L260 WeakPolarHBondContact O-CG 3.42Å; I256-L260 PolarHBondContact O-N 3.2Å
257N98.6Very high96.3Very high37 Ų3754.3 Ų54.320%0.19830%0.302CS..Hα-helixtrans-56.9-45.4-180-75.2-32.1000111.5C59 L60 A253 A259 L260 D261C59-N257 PolarHBondContact O-ND2 3.26Å; L60-N257 WeakPolarHBondContact CD2-OD1 3.37Å; A253-N257 WeakPolarHBondContact O-CB 3.24Å; A253-N257 PolarHBondContact O-N 3.25Å; A253-N257 PolarHBondContact O-ND2 2.88Å; N257-A259 VanDerWaalsContact C-N 3.32Å; N257-A259 PolarHBondContact O-N 2.95Å; N257-L260 PolarHBondContact O-N 3.09Å; N257-D261 VanDerWaalsContact O-CG 3.25Å; N257-D261 PolarHBondContact O-N 3.14Å
258S98.4Very high96.6Very high74 Ų7456 Ų5652%0.51731%0.314SS..Hα-helixtrans-61.2-41.3178.5-55.20000112.2S254 V255 I256 L262S254-S258 PolarHBondContact O-N 2.95Å; S254-S258 PolarHBondContact O-OG 3.18Å; V255-S258 PolarHBondContact O-N 3.45Å; I256-S258 VanDerWaalsContact C-N 3.3Å; I256-S258 PolarHBondContact O-N 3.23Å; S258-L262 PolarHBondContact O-N 3.04Å
259A98.5Very high96.8Very high7 Ų752.8 Ų52.86%0.05832%0.321CS..Hα-helixtrans-69.5-39.8175.900000112.4A210 I213 V255 I256 N257 L262 Y263A210-A259 HydrophobicContact CB-CB 3.99Å; I213-A259 HydrophobicContact CB-CB 4.19Å; I213-A259 HydrophobicContact CD1-CB 3.74Å; I213-A259 HydrophobicContact CG2-CB 4.13Å; V255-A259 PolarHBondContact O-N 3.44Å; I256-A259 PolarHBondContact O-N 3.05Å; I256-A259 VanDerWaalsContact O-N 3.14Å; N257-A259 VanDerWaalsContact C-N 3.32Å; N257-A259 PolarHBondContact O-N 2.95Å; A259-L262 PolarHBondContact O-N 3.19Å; A259-Y263 HydrophobicContact CB-CD2 4.39Å; A259-Y263 WeakPolarHBondContact O-CD2 3.49Å; A259-Y263 PolarHBondContact O-N 3.44Å
260L98.6Very high97Very high0 Ų053.7 Ų53.70%033%0.327CS..Hα-helixtrans-63.5-42.2176.1-70.7178.9000111.3V63 I213 L233 L235 I256 N257 L262 F264 I272V63-L260 HydrophobicContact CG2-CD1 3.94Å; I213-L260 HydrophobicContact CD1-CD2 4.16Å; I213-L260 HydrophobicContact CD1-CG 4.34Å; I213-L260 HydrophobicContact CG2-CD2 4.3Å; L233-L260 HydrophobicContact CD2-CD2 3.76Å; L235-L260 HydrophobicContact CD2-CD2 4.41Å; I256-L260 HydrophobicContact CG2-CD1 3.65Å; I256-L260 HydrophobicContact CG2-CG 3.98Å; I256-L260 WeakPolarHBondContact O-CB 3.5Å; I256-L260 VanDerWaalsContact O-CG 3.3Å; I256-L260 WeakPolarHBondContact O-CG 3.42Å; I256-L260 PolarHBondContact O-N 3.2Å; N257-L260 PolarHBondContact O-N 3.09Å; L260-L262 VanDerWaalsContact C-N 3.26Å; L260-L262 PolarHBondContact O-N 3.25Å; L260-F264 HydrophobicContact CD2-CD2 4.48Å; L260-F264 CarbonylContact O-C 3.59Å; L260-F264 VanDerWaalsContact O-CA 3.25Å; L260-F264 WeakPolarHBondContact O-CA 3.32Å; L260-F264 PolarHBondContact O-N 2.97Å; L260-I272 HydrophobicContact CD1-CD1 4.09Å; L260-I272 HydrophobicContact CD1-CG2 4.32Å; L260-I272 HydrophobicContact CD2-CD1 3.89Å; L260-I272 HydrophobicContact CD2-CG2 4.29Å; L260-I272 HydrophobicContact CG-CD1 4.46Å
261D98.3Very high97.1Very high92 Ų9252.4 Ų52.449%0.49232%0.323SS..Hα-helixtrans-63.2-35.2177.7-68.2-16.9000112.1R62 N257R62-D261 IonicContact CZ-OD1 3.89Å; R62-D261 IonicContact NH1-OD1 2.78Å; R62-D261 PolarHBondContact NH1-OD1 3.48Å; N257-D261 VanDerWaalsContact O-CG 3.25Å; N257-D261 PolarHBondContact O-N 3.14Å
262L98.4Very high97.3Very high123 Ų12348.8 Ų48.864%0.64431%0.306SS*.Hα-helixtrans-74.3-48.2178.5-178.759.8000113.1S258 A259 L260S258-L262 PolarHBondContact O-N 3.04Å; A259-L262 PolarHBondContact O-N 3.19Å; L260-L262 VanDerWaalsContact C-N 3.26Å; L260-L262 PolarHBondContact O-N 3.25Å
263Y98.6Very high97.4Very high80 Ų8048.6 Ų48.631%0.31431%0.305SS..Hα-helixtrans-100.2-27.3-168.9-64.9-66.1000113.9I213 A214 R217 A259I213-Y263 HydrophobicContact CG2-CD2 3.92Å; I213-Y263 HydrophobicContact CG2-CG 4.35Å; A214-Y263 HydrophobicContact CB-CD2 4.24Å; A214-Y263 HydrophobicContact CB-CE1 3.92Å; A214-Y263 HydrophobicContact CB-CE2 3.61Å; A214-Y263 VanDerWaalsContact CB-CZ 3.43Å; R217-Y263 HydrophobicContact CB-CD1 4.08Å; R217-Y263 HydrophobicContact CB-CG 4.36Å; R217-Y263 VanDerWaalsContact CD-O 3.32Å; R217-Y263 WeakPolarHBondContact CD-O 3.41Å; R217-Y263 HydrophobicContact CG-CD1 4.05Å; A259-Y263 HydrophobicContact CB-CD2 4.39Å; A259-Y263 WeakPolarHBondContact O-CD2 3.49Å; A259-Y263 PolarHBondContact O-N 3.44Å
264F98.2Very high97.4Very high1 Ų148.6 Ų48.60%0.00431%0.305CS..SBendtrans-136.464.4-177.5-65.9-80.4000109.8R62 I213 V216 R217 F220 L233 L260 V270R62-F264 PolarHBondContact NH1-O 3Å; R62-F264 PolarHBondContact NH2-O 2.87Å; I213-F264 HydrophobicContact CG2-CD2 3.82Å; I213-F264 HydrophobicContact CG2-CE2 3.91Å; V216-F264 HydrophobicContact CB-CZ 4.44Å; V216-F264 HydrophobicContact CG1-CE2 4.29Å; V216-F264 HydrophobicContact CG1-CZ 3.85Å; R217-F264 HydrophobicContact CB-CE2 4.08Å; R217-F264 HydrophobicContact CB-CZ 4.03Å; F220-F264 AromaticContact CD1-CE1 3.77Å; F220-F264 HydrophobicContact CD1-CE1 3.77Å; F220-F264 HydrophobicContact CD1-CZ 4.49Å; F220-F264 HydrophobicContact CD2-CE1 4.19Å; F220-F264 HydrophobicContact CD2-CZ 4.14Å; F220-F264 AromaticContact CE1-CE1 3.87Å; F220-F264 HydrophobicContact CE1-CE1 3.87Å; F220-F264 HydrophobicContact CE2-CE1 4.27Å; F220-F264 HydrophobicContact CE2-CZ 4.33Å; F220-F264 AromaticContact CG-CE1 3.93Å; F220-F264 HydrophobicContact CG-CE1 3.93Å; F220-F264 HydrophobicContact CG-CZ 4.2Å; F220-F264 HydrophobicContact CZ-CE1 4.1Å; L233-F264 HydrophobicContact CD2-CD2 3.78Å; L233-F264 HydrophobicContact CD2-CE2 3.9Å; L233-F264 HydrophobicContact CD2-CG 4.23Å; L233-F264 HydrophobicContact CD2-CZ 4.44Å; L260-F264 HydrophobicContact CD2-CD2 4.48Å; L260-F264 CarbonylContact O-C 3.59Å; L260-F264 VanDerWaalsContact O-CA 3.25Å; L260-F264 WeakPolarHBondContact O-CA 3.32Å; L260-F264 PolarHBondContact O-N 2.97Å; F264-V270 HydrophobicContact CD1-CB 4.34Å; F264-V270 HydrophobicContact CD1-CG1 4.24Å; F264-V270 HydrophobicContact CD1-CG2 3.97Å; F264-V270 HydrophobicContact CE1-CG2 4.42Å
265P96.9Very high97.3Very high64 Ų6446 Ų4642%0.41629%0.285SS..  trans-60.1156.7-173.425.1-35.2000112.5G267 C268P265-G267 PolarHBondContact O-N 2.95Å; P265-C268 HydrophobicContact CG-CB 4.43Å; P265-C268 VanDerWaalsContact O-CB 3.27Å; P265-C268 WeakPolarHBondContact O-CB 3.28Å; P265-C268 PolarHBondContact O-N 2.93Å; P265-C268 VanDerWaalsContact O-N 3.16Å; P265-C268 PolarHBondContact O-SG 3.17Å
266E93.9Very high97.2Very high148 Ų14844.7 Ų44.769%0.69228%0.277SS*.THydrogen-bonded Turntrans-53.6140.8175.8-75.4-170170.300112R62 C268R62-E266 VanDerWaalsContact CD-OE1 3.3Å; R62-E266 WeakPolarHBondContact CD-OE1 3.4Å; R62-E266 HydrophobicContact CG-CG 4.49Å; R62-E266 IonicContact NE-OE1 3.3Å; E266-C268 VanDerWaalsContact C-N 3.29Å; E266-C268 PolarHBondContact O-N 2.77Å
267G93.5Very high97Very high85 Ų8545.1 Ų45.188%0.87628%0.281SS*.THydrogen-bonded Turntrans79.6-0.1-177.400000115.4P265 G269P265-G267 PolarHBondContact O-N 2.95Å; G267-G269 PolarHBondContact O-N 3.4Å; G267-G269 VanDerWaalsContact O-N 3.16Å
268C94.9Very high96.8Very high56 Ų5645.1 Ų45.138%0.37828%0.278SS..SBendtrans-69.8-5175.471.20000114.7P265 E266P265-C268 HydrophobicContact CG-CB 4.43Å; P265-C268 VanDerWaalsContact O-CB 3.27Å; P265-C268 WeakPolarHBondContact O-CB 3.28Å; P265-C268 PolarHBondContact O-N 2.93Å; P265-C268 VanDerWaalsContact O-N 3.16Å; P265-C268 PolarHBondContact O-SG 3.17Å; E266-C268 VanDerWaalsContact C-N 3.29Å; E266-C268 PolarHBondContact O-N 2.77Å
269G95.3Very high96.7Very high62 Ų6241.7 Ų41.764%0.63925%0.254SS*.  trans8113.9176.900000115.1G267G267-G269 PolarHBondContact O-N 3.4Å; G267-G269 VanDerWaalsContact O-N 3.16Å
270V97.9Very high96.6Very high29 Ų2941.3 Ų41.318%0.17625%0.251CS..  trans-94.6126.3176.4179.70000110.5F220 H231 L233 F264 I272F220-V270 HydrophobicContact CE1-CG1 4.16Å; F220-V270 HydrophobicContact CE1-CG2 3.81Å; F220-V270 HydrophobicContact CZ-CG1 4.19Å; H231-V270 CarbonylContact O-C 3.57Å; H231-V270 WeakPolarHBondContact O-CA 3.33Å; L233-V270 HydrophobicContact CB-CG1 3.85Å; F264-V270 HydrophobicContact CD1-CB 4.34Å; F264-V270 HydrophobicContact CD1-CG1 4.24Å; F264-V270 HydrophobicContact CD1-CG2 3.97Å; F264-V270 HydrophobicContact CE1-CG2 4.42Å; V270-I272 HydrophobicContact CG1-CG1 4.19Å
271D97.6Very high96.5Very high57 Ų5741.3 Ų41.331%0.30525%0.251SS..EExtended strand (participates in β ladder)trans-81.4123.6167.1-171.115.7000108.9R64 H231 V232 L233R64-D271 WeakPolarHBondContact CD-OD1 3.4Å; R64-D271 IonicContact CZ-OD2 2.98Å; R64-D271 IonicContact NE-OD1 2.78Å; R64-D271 PolarHBondContact NE-OD1 3.37Å; R64-D271 IonicContact NE-OD2 3.93Å; R64-D271 PolarHBondContact NE-OD2 3.16Å; R64-D271 IonicContact NH2-OD2 2.95Å; H231-D271 PolarHBondContact O-N 3.32Å; V232-D271 WeakPolarHBondContact CA-O 3.4Å; L233-D271 PolarHBondContact N-O 3.2Å
272I98.5Very high96.4Very high3 Ų337.8 Ų37.82%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-109.2121.7-174.3-54.7165.1000108.2V63 R64 L233 L235 L260 V270V63-I272 CarbonylContact C-O 3.45Å; V63-I272 WeakPolarHBondContact CA-O 3.38Å; V63-I272 HydrophobicContact CB-CG2 4.49Å; V63-I272 HydrophobicContact CG1-CG2 4.25Å; V63-I272 HydrophobicContact CG2-CG2 3.92Å; R64-I272 PolarHBondContact N-O 3.29Å; L233-I272 HydrophobicContact CB-CG1 4.5Å; L233-I272 HydrophobicContact CD2-CG1 4.43Å; L233-I272 HydrophobicContact CD2-CG2 4.22Å; L233-I272 HydrophobicContact CG-CG2 4.29Å; L233-I272 CarbonylContact O-C 3.55Å; L233-I272 WeakPolarHBondContact O-CA 3.48Å; L235-I272 HydrophobicContact CD1-CG2 3.89Å; L235-I272 HydrophobicContact CD2-CG2 4.37Å; L235-I272 HydrophobicContact CG-CG2 3.96Å; L260-I272 HydrophobicContact CD1-CD1 4.09Å; L260-I272 HydrophobicContact CD1-CG2 4.32Å; L260-I272 HydrophobicContact CD2-CD1 3.89Å; L260-I272 HydrophobicContact CD2-CG2 4.29Å; L260-I272 HydrophobicContact CG-CD1 4.46Å; V270-I272 HydrophobicContact CG1-CG1 4.19Å
273L97.9Very high96.2Very high3 Ų334.1 Ų34.12%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-113.7157.7-176.7-47.5-175.8000110.4R64 F66 V232 L233 D234 L235R64-L273 HydrophobicContact CB-CD2 3.8Å; R64-L273 WeakPolarHBondContact O-CA 3.43Å; F66-L273 HydrophobicContact CD2-CB 4.3Å; F66-L273 HydrophobicContact CD2-CD1 4.4Å; F66-L273 HydrophobicContact CD2-CD2 4.11Å; F66-L273 HydrophobicContact CE2-CD1 4.05Å; F66-L273 HydrophobicContact CE2-CD2 3.59Å; F66-L273 HydrophobicContact CE2-CG 4.28Å; F66-L273 HydrophobicContact CZ-CD1 4.24Å; F66-L273 HydrophobicContact CZ-CD2 4.37Å; V232-L273 HydrophobicContact CG1-CD1 3.93Å; V232-L273 HydrophobicContact CG1-CG 4.34Å; L233-L273 PolarHBondContact O-N 2.85Å; D234-L273 HydrophobicContact CB-CB 4.33Å; L235-L273 WeakPolarHBondContact CB-O 3.41Å; L235-L273 WeakPolarHBondContact CG-O 3.32Å; L235-L273 PolarHBondContact N-O 3.45Å
274A97.4Very high96.1Very high0 Ų030.4 Ų30.40%020%0.203CC..EExtended strand (participates in β ladder)trans-141.2136.216600000111.1F56 V63 R64 F66 L235 F239 L276F56-A274 HydrophobicContact CZ-CB 4.33Å; V63-A274 HydrophobicContact CG1-CB 3.64Å; R64-A274 PolarHBondContact O-N 2.92Å; R64-A274 VanDerWaalsContact O-N 3.1Å; F66-A274 PolarHBondContact N-O 2.95Å; F66-A274 VanDerWaalsContact O-O 3.13Å; L235-A274 HydrophobicContact CB-CB 4.29Å; F239-A274 HydrophobicContact CE2-CB 4.14Å; F239-A274 HydrophobicContact CZ-CB 4.44Å; A274-L276 PolarHBondContact O-N 2.95Å
275E96.1Very high96Very high18 Ų1830.3 Ų30.38%0.08420%0.203CC..EExtended strand (participates in β ladder)trans-91.891.9179.4-55.9-166.2138.600111.8F66 S89 A112 G236 G237F66-E275 CarbonylContact O-C 3.38Å; F66-E275 WeakPolarHBondContact O-CA 3.31Å; S89-E275 VanDerWaalsContact CB-OE1 3.25Å; S89-E275 WeakPolarHBondContact CB-OE1 3.39Å; S89-E275 PolarHBondContact OG-OE1 3.43Å; A112-E275 WeakPolarHBondContact CB-OE1 3.39Å; G236-E275 PolarHBondContact O-N 3.25Å; G237-E275 WeakPolarHBondContact CA-O 3.43Å
276L94.6Very high95.9Very high0 Ų028.4 Ų28.40%019%0.19CC..EExtended strand (participates in β ladder)trans-92.4115.9-174.7-62.9154.4000110.3F56 P65 F66 Y67 A68 F239 A274 Y279 Y280F56-L276 HydrophobicContact CD1-CD1 4.39Å; F56-L276 HydrophobicContact CD2-CD1 3.64Å; F56-L276 HydrophobicContact CD2-CD2 4.02Å; F56-L276 HydrophobicContact CD2-CG 4.48Å; F56-L276 HydrophobicContact CE1-CD1 4.2Å; F56-L276 HydrophobicContact CE2-CD1 3.41Å; F56-L276 VanDerWaalsContact CE2-CD1 3.41Å; F56-L276 HydrophobicContact CE2-CD2 3.8Å; F56-L276 HydrophobicContact CE2-CG 4.13Å; F56-L276 HydrophobicContact CG-CD1 4.14Å; F56-L276 HydrophobicContact CZ-CD1 3.72Å; P65-L276 HydrophobicContact CB-CD1 3.52Å; F66-L276 PolarHBondContact O-N 3.22Å; Y67-L276 WeakPolarHBondContact CA-O 3.47Å; Y67-L276 WeakPolarHBondContact CD2-O 3.39Å; A68-L276 PolarHBondContact N-O 3.43Å; F239-L276 HydrophobicContact CB-CD2 4.17Å; F239-L276 HydrophobicContact CD2-CD2 3.41Å; F239-L276 VanDerWaalsContact CD2-CD2 3.41Å; F239-L276 HydrophobicContact CE2-CD2 3.94Å; F239-L276 HydrophobicContact CG-CD2 3.87Å; A274-L276 PolarHBondContact O-N 2.95Å; L276-Y279 HydrophobicContact CD2-CD1 3.98Å; L276-Y279 HydrophobicContact CD2-CG 3.97Å; L276-Y280 HydrophobicContact CB-CD2 3.58Å; L276-Y280 HydrophobicContact CB-CE2 3.56Å; L276-Y280 HydrophobicContact CD1-CD2 4.33Å; L276-Y280 HydrophobicContact CD1-CE2 3.46Å; L276-Y280 VanDerWaalsContact CD1-CE2 3.46Å; L276-Y280 HydrophobicContact CG-CE2 4.12Å
277G94.4Very high95.9Very high8 Ų821.3 Ų21.38%0.08216%0.157CC..SBendtrans-106.9-91170.300000111Y279 Y280G277-Y279 PolarHBondContact O-N 3.38Å; G277-Y279 VanDerWaalsContact O-N 3.1Å; G277-Y280 PolarHBondContact O-N 2.91Å; G277-Y280 VanDerWaalsContact O-N 3.12Å
278R93.8Very high95.9Very high37 Ų3717.3 Ų17.314%0.1412%0.116CC..Hα-helixtrans-48.8-40.9-176.6-58.2-162.4-162-110.92.7113.2C71 S201 G241 Y280 V281 T282 D333 A389 Y390C71-R278 PolarHBondContact SG-N 3.41Å; C71-R278 VanDerWaalsContact SG-N 3.4Å; S201-R278 VanDerWaalsContact OG-CD 3.32Å; S201-R278 WeakPolarHBondContact OG-CD 3.31Å; S201-R278 PolarHBondContact OG-NE 3.31Å; G241-R278 WeakPolarHBondContact CA-O 3.45Å; R278-Y280 PolarHBondContact O-N 3.48Å; R278-Y280 VanDerWaalsContact O-N 3.13Å; R278-V281 PolarHBondContact O-N 3.34Å; R278-T282 WeakPolarHBondContact CA-OG1 3.28Å; R278-T282 WeakPolarHBondContact CB-OG1 3.42Å; R278-T282 WeakPolarHBondContact O-CB 3.46Å; R278-T282 PolarHBondContact O-N 2.95Å; R278-T282 PolarHBondContact O-OG1 2.9Å; R278-D333 IonicContact CZ-OD1 3.45Å; R278-D333 IonicContact CZ-OD2 3.01Å; R278-D333 IonicContact NH1-OD1 2.97Å; R278-D333 IonicContact NH1-OD2 2.96Å; R278-D333 PolarHBondContact NH1-OD2 3.47Å; R278-D333 IonicContact NH2-OD1 3.29Å; R278-D333 PolarHBondContact NH2-OD1 2.86Å; R278-D333 IonicContact NH2-OD2 2.68Å; R278-D333 PolarHBondContact NH2-OD2 3.19Å; R278-A389 HydrophobicContact CB-CB 4.22Å; R278-A389 HydrophobicContact CG-CB 3.87Å; R278-Y390 HydrophobicContact CG-CD2 4.14Å; R278-Y390 HydrophobicContact CG-CE2 3.51Å; R278-Y390 VanDerWaalsContact NE-CE2 3.26Å
279Y96.4Very high95.8Very high2 Ų214.6 Ų14.61%0.00810%0.098CC..Hα-helixtrans-44.4-47178.9178.3-99.3000113.6K52 F56 F239 P240 F249 L276 G277K52-Y279 HydrophobicContact CB-CE1 3.89Å; K52-Y279 HydrophobicContact CD-CE1 4.14Å; K52-Y279 HydrophobicContact CD-CE2 4.06Å; K52-Y279 VanDerWaalsContact CD-O 3.32Å; K52-Y279 WeakPolarHBondContact CD-O 3.47Å; K52-Y279 VanDerWaalsContact CE-O 3.29Å; K52-Y279 WeakPolarHBondContact CE-O 3.49Å; K52-Y279 WeakPolarHBondContact O-CE1 3.48Å; K52-Y279 PolarHBondContact O-OH 3.34Å; F56-Y279 HydrophobicContact CB-CE1 3.81Å; F56-Y279 HydrophobicContact CD2-CE1 4.23Å; F56-Y279 HydrophobicContact CG-CE1 4.43Å; F56-Y279 PolarHBondContact N-OH 3.46Å; F239-Y279 HydrophobicContact CB-CD2 4.17Å; F239-Y279 HydrophobicContact CB-CG 4.36Å; P240-Y279 WeakPolarHBondContact O-CD2 3.44Å; F249-Y279 HydrophobicContact CB-CE2 4.07Å; F249-Y279 AromaticContact CD1-CE2 3.7Å; F249-Y279 HydrophobicContact CD1-CE2 3.7Å; F249-Y279 AromaticContact CD2-CD2 3.93Å; F249-Y279 HydrophobicContact CD2-CD2 3.93Å; F249-Y279 AromaticContact CD2-CE2 3.56Å; F249-Y279 HydrophobicContact CD2-CE2 3.56Å; F249-Y279 AromaticContact CE1-CE2 3.97Å; F249-Y279 HydrophobicContact CE1-CE2 3.97Å; F249-Y279 AromaticContact CE1-CZ 3.96Å; F249-Y279 WeakPolarHBondContact CE1-OH 3.35Å; F249-Y279 HydrophobicContact CE2-CD2 4.31Å; F249-Y279 AromaticContact CE2-CE2 3.87Å; F249-Y279 HydrophobicContact CE2-CE2 3.87Å; F249-Y279 HydrophobicContact CG-CD2 4.2Å; F249-Y279 AromaticContact CG-CE2 3.48Å; F249-Y279 HydrophobicContact CG-CE2 3.48Å; F249-Y279 VanDerWaalsContact CG-CE2 3.48Å; F249-Y279 HydrophobicContact CZ-CE2 4.07Å; L276-Y279 HydrophobicContact CD2-CD1 3.98Å; L276-Y279 HydrophobicContact CD2-CG 3.97Å; G277-Y279 PolarHBondContact O-N 3.38Å; G277-Y279 VanDerWaalsContact O-N 3.1Å
280Y97.5Very high95.6Very high0 Ų012 Ų120%07%0.069CC..Hα-helixtrans-79.5-40.7-175.3-85.9-67000113.6I49 K52 H53 Y67 L81 L86 L276 G277 R278I49-Y280 HydrophobicContact CG2-CD1 3.89Å; K52-Y280 HydrophobicContact CB-CD1 4.03Å; K52-Y280 HydrophobicContact CB-CE1 4.34Å; H53-Y280 HydrophobicContact CB-CE1 3.85Å; H53-Y280 AromaticContact ND1-CZ 3.96Å; H53-Y280 PolarHBondContact ND1-OH 3Å; Y67-Y280 HydrophobicContact CD2-CD2 4.09Å; L81-Y280 HydrophobicContact CD2-CD1 3.8Å; L81-Y280 HydrophobicContact CD2-CD2 4.43Å; L81-Y280 HydrophobicContact CD2-CE1 3.97Å; L81-Y280 HydrophobicContact CD2-CG 4.05Å; L86-Y280 HydrophobicContact CD2-CD2 4.35Å; L86-Y280 HydrophobicContact CD2-CE1 4.49Å; L86-Y280 HydrophobicContact CD2-CE2 3.56Å; L276-Y280 HydrophobicContact CB-CD2 3.58Å; L276-Y280 HydrophobicContact CB-CE2 3.56Å; L276-Y280 HydrophobicContact CD1-CD2 4.33Å; L276-Y280 HydrophobicContact CD1-CE2 3.46Å; L276-Y280 VanDerWaalsContact CD1-CE2 3.46Å; L276-Y280 HydrophobicContact CG-CE2 4.12Å; G277-Y280 PolarHBondContact O-N 2.91Å; G277-Y280 VanDerWaalsContact O-N 3.12Å; R278-Y280 PolarHBondContact O-N 3.48Å; R278-Y280 VanDerWaalsContact O-N 3.13Å
281V96.6Very high95.4Very high0 Ų010.6 Ų10.60%06%0.061CC..Hα-helixtrans-111.2-22-160.7-64.30000114.6I49 Y67 N72 V77 R278 S283 A284 F285 G388 A389I49-V281 HydrophobicContact CD1-CG1 4.43Å; Y67-V281 HydrophobicContact CE2-CG1 4.01Å; N72-V281 HydrophobicContact CB-CB 4.43Å; N72-V281 HydrophobicContact CB-CG1 4.42Å; N72-V281 HydrophobicContact CB-CG2 4.06Å; V77-V281 HydrophobicContact CG1-CG1 3.63Å; V77-V281 HydrophobicContact CG2-CG1 4.34Å; R278-V281 PolarHBondContact O-N 3.34Å; V281-S283 PolarHBondContact O-N 3.41Å; V281-A284 WeakPolarHBondContact O-CB 3.49Å; V281-A284 PolarHBondContact O-N 3.27Å; V281-F285 HydrophobicContact CB-CE2 4.46Å; V281-G388 VanDerWaalsContact CG2-O 3.26Å; V281-G388 WeakPolarHBondContact CG2-O 3.42Å; V281-G388 WeakPolarHBondContact O-CA 3.36Å; V281-A389 HydrophobicContact CG2-CB 4.12Å
282T94.8Very high95.2Very high18 Ų1811.7 Ų11.711%0.117%0.066CC..G310 helixtrans-52.4-55.9-171.7-66.30000112.1T242 R278 A284 N386 M387 G388 A389T242-T282 HydrophobicContact CG2-CG2 3.55Å; R278-T282 WeakPolarHBondContact CA-OG1 3.28Å; R278-T282 WeakPolarHBondContact CB-OG1 3.42Å; R278-T282 WeakPolarHBondContact O-CB 3.46Å; R278-T282 PolarHBondContact O-N 2.95Å; R278-T282 PolarHBondContact O-OG1 2.9Å; T282-A284 VanDerWaalsContact C-N 3.29Å; T282-A284 PolarHBondContact O-N 2.97Å; T282-N386 HydrophobicContact CG2-CB 3.95Å; T282-N386 WeakPolarHBondContact CG2-O 3.47Å; T282-N386 CarbonylContact O-C 3.47Å; T282-N386 WeakPolarHBondContact O-CA 3.38Å; T282-M387 PolarHBondContact O-N 2.86Å; T282-G388 PolarHBondContact O-N 3.43Å; T282-G388 VanDerWaalsContact O-N 3.15Å; T282-A389 VanDerWaalsContact OG1-CB 3.23Å; T282-A389 WeakPolarHBondContact OG1-CB 3.1Å
283S95.1Very high94.9Very high45 Ų4513.4 Ų13.432%0.3158%0.081SC..G310 helixtrans-79.4-5.9-17842.50000114.5G241 V281 N386G241-S283 PolarHBondContact O-OG 2.94Å; V281-S283 PolarHBondContact O-N 3.41Å; S283-N386 WeakPolarHBondContact CA-OD1 3.4Å; S283-N386 WeakPolarHBondContact CB-OD1 3.23Å
284A96.1Very high94.8Very high2 Ų216 Ų162%0.0179%0.092CC..G310 helixtrans-81.4-16.3-177.400000113.1A44 D45 A48 I49 V281 T282A44-A284 CarbonylContact C-O 3.59Å; A44-A284 VanDerWaalsContact CA-O 3.28Å; A44-A284 WeakPolarHBondContact CA-O 3.37Å; D45-A284 PolarHBondContact N-O 3.4Å; A48-A284 HydrophobicContact CB-CB 4.1Å; I49-A284 HydrophobicContact CD1-CB 4.33Å; I49-A284 HydrophobicContact CG1-CB 3.82Å; V281-A284 WeakPolarHBondContact O-CB 3.49Å; V281-A284 PolarHBondContact O-N 3.27Å; T282-A284 VanDerWaalsContact C-N 3.29Å; T282-A284 PolarHBondContact O-N 2.97Å
285F95.6Very high94.5Very high0 Ų022.4 Ų22.40%012%0.12CC..EExtended strand (participates in β ladder)trans-118.2134.8-176.4-69.8-114.1000111.3F42 A44 N72 V77 V281 N386 M387 G388 V392 I406F42-F285 HydrophobicContact CB-CD1 4.25Å; F42-F285 HydrophobicContact CD1-CB 4.11Å; F42-F285 AromaticContact CD1-CD1 3.95Å; F42-F285 HydrophobicContact CD1-CD1 3.95Å; F42-F285 HydrophobicContact CG-CD1 4.25Å; A44-F285 HydrophobicContact CB-CD1 3.77Å; A44-F285 HydrophobicContact CB-CD2 4.33Å; A44-F285 HydrophobicContact CB-CE1 3.57Å; A44-F285 HydrophobicContact CB-CE2 4.13Å; A44-F285 HydrophobicContact CB-CG 4.14Å; A44-F285 HydrophobicContact CB-CZ 3.75Å; N72-F285 WeakPolarHBondContact ND2-CE2 3.39Å; N72-F285 VanDerWaalsContact ND2-CZ 3.32Å; N72-F285 WeakPolarHBondContact ND2-CZ 3.35Å; V77-F285 HydrophobicContact CG2-CE2 3.73Å; V77-F285 HydrophobicContact CG2-CZ 3.56Å; V281-F285 HydrophobicContact CB-CE2 4.46Å; F285-N386 PolarHBondContact O-N 3.01Å; F285-M387 PolarHBondContact O-N 3.41Å; F285-G388 VanDerWaalsContact CB-CA 3.45Å; F285-V392 HydrophobicContact CD1-CG2 3.88Å; F285-V392 HydrophobicContact CE1-CG2 3.99Å; F285-I406 HydrophobicContact CE1-CD1 4.44Å; F285-I406 HydrophobicContact CE1-CG2 3.91Å
286T95.1Very high94.3Very high23 Ų2326.2 Ų26.214%0.14114%0.138CC..EExtended strand (participates in β ladder)trans-121.8134.3168.6-63.90000107.9L23 F42 V43 V383 F384 D385L23-T286 HydrophobicContact CD2-CG2 3.65Å; F42-T286 WeakPolarHBondContact CA-O 3.28Å; V43-T286 PolarHBondContact N-O 3.04Å; V43-T286 PolarHBondContact O-N 3.03Å; T286-V383 HydrophobicContact CG2-CG1 3.29Å; T286-F384 WeakPolarHBondContact CA-O 3.33Å; T286-D385 WeakPolarHBondContact CG2-OD1 3.41Å; T286-D385 PolarHBondContact OG1-OD1 2.86Å
287V93.9Very high93.8Very high0 Ų028.9 Ų28.90%015%0.153CC..EExtended strand (participates in β ladder)trans-107.9140.8176.366.40000110.2F41 F42 V289 I326 V383 F384 M387F41-V287 WeakPolarHBondContact O-CA 3.41Å; F41-V287 WeakPolarHBondContact O-CG2 3.49Å; F42-V287 HydrophobicContact CD1-CB 3.71Å; F42-V287 HydrophobicContact CD1-CG2 4.16Å; F42-V287 HydrophobicContact CD2-CG2 4.46Å; F42-V287 HydrophobicContact CE1-CB 3.59Å; F42-V287 HydrophobicContact CE1-CG1 4.42Å; F42-V287 HydrophobicContact CE1-CG2 4.01Å; F42-V287 HydrophobicContact CE2-CG2 4.29Å; F42-V287 HydrophobicContact CG-CB 4.38Å; F42-V287 HydrophobicContact CG-CG2 4.39Å; F42-V287 HydrophobicContact CZ-CB 4.13Å; F42-V287 HydrophobicContact CZ-CG2 4.07Å; V287-V289 HydrophobicContact CG2-CG1 3.95Å; V287-I326 HydrophobicContact CG1-CG2 4.3Å; V287-I326 HydrophobicContact CG2-CD1 3.87Å; V287-I326 HydrophobicContact CG2-CG2 4.42Å; V287-V383 CarbonylContact O-C 3.52Å; V287-V383 WeakPolarHBondContact O-CA 3.37Å; V287-F384 HydrophobicContact CG1-CB 3.77Å; V287-F384 HydrophobicContact CG1-CD2 4.31Å; V287-F384 HydrophobicContact CG1-CG 4.47Å; V287-F384 PolarHBondContact N-O 3.01Å; V287-F384 PolarHBondContact O-N 3.16Å; V287-M387 HydrophobicContact CG1-CB 4.09Å; V287-M387 HydrophobicContact CG1-CE 4.46Å; V287-M387 HydrophobicContact CG1-CG 3.86Å
288A93.8Very high93Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-108.1129.9164.700000108.9L23 T27 A40 F41 W381 L382L23-A288 HydrophobicContact CD1-CB 4.04Å; T27-A288 HydrophobicContact CG2-CB 3.86Å; A40-A288 VanDerWaalsContact CA-O 3.28Å; A40-A288 WeakPolarHBondContact CA-O 3.32Å; F41-A288 HydrophobicContact CD1-CB 4.48Å; F41-A288 HydrophobicContact CE1-CB 4.03Å; F41-A288 HydrophobicContact CE2-CB 4.38Å; F41-A288 HydrophobicContact CZ-CB 3.98Å; F41-A288 PolarHBondContact N-O 3.02Å; F41-A288 VanDerWaalsContact N-O 3.12Å; F41-A288 PolarHBondContact O-N 3.31Å; A288-W381 HydrophobicContact CB-CE3 3.73Å; A288-W381 HydrophobicContact CB-CZ3 4.06Å; A288-L382 WeakPolarHBondContact CA-O 3.48Å
289V92.8Very high91.6Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-126144.7177.8-59.40000109.1A40 V287 L319 D320 E321 F327 L382 F384A40-V289 HydrophobicContact CB-CG1 3.93Å; V287-V289 HydrophobicContact CG2-CG1 3.95Å; V289-L319 HydrophobicContact CG2-CD1 4.12Å; V289-L319 HydrophobicContact CG2-CD2 4.46Å; V289-D320 WeakPolarHBondContact CB-OD1 3.13Å; V289-E321 HydrophobicContact CG1-CB 4.18Å; V289-F327 HydrophobicContact CG1-CE2 4.08Å; V289-F327 HydrophobicContact CG1-CZ 4.05Å; V289-F327 HydrophobicContact CG2-CZ 4.23Å; V289-L382 HydrophobicContact CG2-CB 3.96Å; V289-L382 PolarHBondContact N-O 2.89Å; V289-L382 PolarHBondContact O-N 2.92Å; V289-F384 HydrophobicContact CG2-CD2 3.95Å; V289-F384 HydrophobicContact CG2-CE2 3.43Å; V289-F384 VanDerWaalsContact CG2-CE2 3.43Å
290S91.9Very high89.6Confident6 Ų642.6 Ų42.64%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-99.1146.5-175.4710000111.4I292 L319 D320S290-I292 PolarHBondContact O-N 3.28Å; S290-L319 WeakPolarHBondContact O-CA 3.4Å; S290-D320 PolarHBondContact N-OD1 3.2Å; S290-D320 VanDerWaalsContact N-OD1 3.16Å; S290-D320 PolarHBondContact N-OD2 3Å; S290-D320 PolarHBondContact O-N 3.02Å; S290-D320 VanDerWaalsContact OG-CG 3.31Å; S290-D320 PolarHBondContact OG-OD2 3.44Å
291I93.2Very high87.3Confident1 Ų149 Ų491%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-79.7113.3169.9-62.3177.3000108.4A293 Y317 H318 L319 L376 V378 G379 D380 L382I291-A293 WeakPolarHBondContact CG2-O 3.46Å; I291-Y317 HydrophobicContact CD1-CD1 3.93Å; I291-Y317 HydrophobicContact CD1-CE1 4.45Å; I291-Y317 HydrophobicContact CD1-CG 4.24Å; I291-Y317 HydrophobicContact CG2-CD1 4.04Å; I291-H318 CarbonylContact C-O 3.56Å; I291-H318 WeakPolarHBondContact CA-O 3.42Å; I291-L319 HydrophobicContact CG1-CD2 4.07Å; I291-L376 HydrophobicContact CD1-CB 3.64Å; I291-L376 HydrophobicContact CD1-CD1 3.75Å; I291-L376 HydrophobicContact CD1-CG 4.33Å; I291-V378 CarbonylContact O-C 3.53Å; I291-V378 WeakPolarHBondContact O-CA 3.47Å; I291-G379 PolarHBondContact O-N 3.04Å; I291-D380 HydrophobicContact CD1-CB 4.25Å; I291-D380 PolarHBondContact N-O 3.3Å; I291-L382 HydrophobicContact CD1-CD1 4.45Å; I291-L382 HydrophobicContact CD1-CG 4.39Å; I291-L382 HydrophobicContact CG1-CD1 4.36Å; I291-L382 HydrophobicContact CG1-CG 4.36Å
292I92.7Very high84.7Confident79 Ų7955.4 Ų55.441%0.40530%0.298SS..EExtended strand (participates in β ladder)trans-93.5-26.6-178.663.2171.7000112.9S290 H318 L319 D320 P359S290-I292 PolarHBondContact O-N 3.28Å; I292-H318 HydrophobicContact CG1-CB 4.03Å; I292-H318 WeakPolarHBondContact CG1-O 3.31Å; I292-H318 PolarHBondContact N-O 2.94Å; I292-L319 VanDerWaalsContact CD1-O 3.28Å; I292-L319 WeakPolarHBondContact CD1-O 3.46Å; I292-D320 HydrophobicContact CG2-CB 3.75Å; I292-P359 HydrophobicContact CD1-CB 4.3Å
293A93.6Very high82.4Confident40 Ų4058 Ų5833%0.33133%0.329SS..EExtended strand (participates in β ladder)trans-149.7156.3174.900000111.7I291 H318I291-A293 WeakPolarHBondContact CG2-O 3.46Å; A293-H318 HydrophobicContact CB-CB 4.01Å; A293-H318 PolarHBondContact N-O 3.01Å; A293-H318 PolarHBondContact O-N 2.89Å
294K94.8Very high79.9Confident58 Ų5865.9 Ų65.925%0.25235%0.352SS..EExtended strand (participates in β ladder)trans-136.5137.7178.9176.5-174.6179.7175.70109.5V315 V316 Y317 Q375 L376 V378K294-V315 HydrophobicContact CD-CG1 4.44Å; K294-V315 HydrophobicContact CG-CG1 3.99Å; K294-V316 CarbonylContact C-O 3.57Å; K294-V316 WeakPolarHBondContact CA-O 3.04Å; K294-Y317 HydrophobicContact CB-CD1 4.22Å; K294-Y317 HydrophobicContact CB-CE1 4.47Å; K294-Y317 HydrophobicContact CD-CD1 4.44Å; K294-Y317 HydrophobicContact CD-CE1 3.88Å; K294-Y317 HydrophobicContact CG-CD1 3.99Å; K294-Y317 HydrophobicContact CG-CE1 3.84Å; K294-Q375 VanDerWaalsContact NZ-CG 3.26Å; K294-L376 WeakPolarHBondContact CD-O 3.15Å; K294-L376 WeakPolarHBondContact CE-O 3.22Å; K294-L376 PolarHBondContact NZ-O 2.69Å; K294-V378 HydrophobicContact CB-CG2 4.24Å
295K92.3Very high77.4Confident134 Ų13475.3 Ų75.358%0.58340%0.396SS*.EExtended strand (participates in β ladder)trans-134.8135.1174.4-164.1177.4-176.1-179.10110.3V297 V316K295-V297 HydrophobicContact CG-CG2 4.49Å; K295-V316 HydrophobicContact CB-CB 4.3Å; K295-V316 PolarHBondContact N-O 3.31Å; K295-V316 PolarHBondContact O-N 3.49Å
296E90.4Very high75.3Confident98 Ų9884.3 Ų84.346%0.45844%0.438SS..EExtended strand (participates in β ladder)trans-96.5126.4170.1-64.1-173.3-177.900108.6
297V84.4Confident72.8Confident55 Ų5592.2 Ų92.233%0.33347%0.473SS..EExtended strand (participates in β ladder)trans-114121.1179.4-176.10000108.2K295 T314 V316K295-V297 HydrophobicContact CG-CG2 4.49Å; V297-T314 PolarHBondContact N-O 3.07Å; V297-T314 PolarHBondContact O-N 2.94Å; V297-V316 HydrophobicContact CG2-CG2 3.86Å
298L78.2Confident70.2Confident101 Ų10199.8 Ų99.853%0.52951%0.514SS..EExtended strand (participates in β ladder)trans-81.1119.4169-59.8179.1000107.6D300 K313L298-D300 PolarHBondContact O-N 2.94Å; L298-D300 VanDerWaalsContact O-N 3.13Å; L298-K313 HydrophobicContact CD2-CD 4.42Å; L298-K313 HydrophobicContact CD2-CG 3.87Å
299L63.7Low67.8Low94 Ų94104.3 Ų104.349%0.49256%0.56SS.*  trans-7795.3169-73.5167.4000108Q301 T314L299-Q301 PolarHBondContact O-N 3.15Å; L299-Q301 VanDerWaalsContact O-N 3.14Å; L299-T314 WeakPolarHBondContact CD1-OG1 3.22Å
300D54.6Low65.8Low141 Ų141108.8 Ų108.875%0.75459%0.592SS**  trans-66.9105.3160.6-77.3-18.1000106.8L298 P302L298-D300 PolarHBondContact O-N 2.94Å; L298-D300 VanDerWaalsContact O-N 3.13Å; D300-P302 WeakPolarHBondContact O-CD 3.19Å
301Q50.5Low64.1Low133 Ų133112.7 Ų112.762%0.62162%0.615SS**  trans-74.3113.2168.1-70.4-163.63800108L299 G303L299-Q301 PolarHBondContact O-N 3.15Å; L299-Q301 VanDerWaalsContact O-N 3.14Å; Q301-G303 PolarHBondContact O-N 3.48Å; Q301-G303 VanDerWaalsContact O-N 3.09Å
302P41.9Very low62.6Low135 Ų135116 Ų11688%0.87764%0.636SS**THydrogen-bonded Turntrans-76.6102.2168.17.910.9000106.7D300D300-P302 WeakPolarHBondContact O-CD 3.19Å
303G44.9Very low61.7Low74 Ų74117 Ų11776%0.76364%0.637SS**THydrogen-bonded Turntrans114.324.4160.200000118.7Q301Q301-G303 PolarHBondContact O-N 3.48Å; Q301-G303 VanDerWaalsContact O-N 3.09Å
304R44Very low61.4Low210 Ų210116.1 Ų116.179%0.79263%0.628SS**  trans-123104.8161.2-74.8-169.9178.8-151.41.2110.4
305E42.5Very low61.3Low200 Ų200113.5 Ų113.594%0.93562%0.616SS**  trans-56.4146.8165.5-67.4178.3171.400110
306E51.3Low61.5Low188 Ų188108.1 Ų108.188%0.87960%0.595SS**  trans-62.1153.3-158.6-58.4171.116300115.7
307E42.8Very low61.7Low189 Ų189103.4 Ų103.488%0.88357%0.573SS**SBendtrans-156.95.7142.4-120.4176.2-165.300116.5
308N39.8Very low62.2Low159 Ų159103.8 Ų103.885%0.8557%0.571SS**SBendtrans-152.7110.2165-94.4-36.7000109.6S310N308-S310 PolarHBondContact O-N 3.41Å
309G44.6Very low63Low95 Ų9599 Ų9998%0.97955%0.546SS*.  trans-68.646.9-168.400000117.4
310S50.3Low64.2Low95 Ų9595.7 Ų95.766%0.66453%0.529SS*.  trans-109.395.2169.1-178.70000109.6N308 T312N308-S310 PolarHBondContact O-N 3.41Å; S310-T312 PolarHBondContact O-N 3.48Å
311T54.9Low65.9Low87 Ų8790 Ų9053%0.53450%0.497SS..  trans-50.1116.4163.610.20000108.2K313T311-K313 PolarHBondContact O-N 3.01Å
312T62.6Low67.9Low71 Ų7183.8 Ų83.844%0.43647%0.469SS..  trans-72.9102.7-178.5-53.10000107.8S310S310-T312 PolarHBondContact O-N 3.48Å
313K74Confident70.2Confident99 Ų9977.3 Ų77.343%0.4343%0.427SS..EExtended strand (participates in β ladder)trans-78.5124.7176.6-60.2-172.9176.6-175.30108.8L298 T311L298-K313 HydrophobicContact CD2-CD 4.42Å; L298-K313 HydrophobicContact CD2-CG 3.87Å; T311-K313 PolarHBondContact O-N 3.01Å
314T87.1Confident72.3Confident22 Ų2277.6 Ų77.614%0.13541%0.406CS..EExtended strand (participates in β ladder)trans-103.8136.5170.3-59.80000108.8V297 L299 S353V297-T314 PolarHBondContact N-O 3.07Å; V297-T314 PolarHBondContact O-N 2.94Å; L299-T314 WeakPolarHBondContact CD1-OG1 3.22Å; T314-S353 CarbonylContact C-O 3.48Å; T314-S353 VanDerWaalsContact CA-O 3.32Å; T314-S353 WeakPolarHBondContact CA-O 3.13Å
315V93.4Very high74.4Confident3 Ų368 Ų682%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-107.1128.4178.7-168.80000109.8K294 Y317 Y352 S353 S354 S355K294-V315 HydrophobicContact CD-CG1 4.44Å; K294-V315 HydrophobicContact CG-CG1 3.99Å; V315-Y317 HydrophobicContact CB-CE2 4.08Å; V315-Y317 HydrophobicContact CG1-CD1 4.26Å; V315-Y317 HydrophobicContact CG1-CD2 4.32Å; V315-Y317 HydrophobicContact CG1-CE1 3.65Å; V315-Y317 HydrophobicContact CG1-CE2 3.73Å; V315-Y352 HydrophobicContact CG2-CG 4.35Å; V315-S353 PolarHBondContact N-O 3.04Å; V315-S354 CarbonylContact O-C 2.89Å; V315-S354 WeakPolarHBondContact O-CA 3.37Å; V315-S355 PolarHBondContact O-N 3.27Å
316V94.8Very high76.7Confident21 Ų2158.8 Ų58.813%0.12733%0.329CS..EExtended strand (participates in β ladder)trans-106.7120.8177.9-179.40000107.8K294 K295 V297 W357K294-V316 CarbonylContact C-O 3.57Å; K294-V316 WeakPolarHBondContact CA-O 3.04Å; K295-V316 HydrophobicContact CB-CB 4.3Å; K295-V316 PolarHBondContact N-O 3.31Å; K295-V316 PolarHBondContact O-N 3.49Å; V297-V316 HydrophobicContact CG2-CG2 3.86Å; V316-W357 VanDerWaalsContact CG1-CD1 3.45Å; V316-W357 HydrophobicContact CG1-CG 4.23Å
317Y95.9Very high78.6Confident0 Ų049.8 Ų49.80%029%0.288CS..EExtended strand (participates in β ladder)trans-108.7128.7174.3-57.3-75000109.6I291 K294 V315 S355 L356 W357 L373 P374 L376I291-Y317 HydrophobicContact CD1-CD1 3.93Å; I291-Y317 HydrophobicContact CD1-CE1 4.45Å; I291-Y317 HydrophobicContact CD1-CG 4.24Å; I291-Y317 HydrophobicContact CG2-CD1 4.04Å; K294-Y317 HydrophobicContact CB-CD1 4.22Å; K294-Y317 HydrophobicContact CB-CE1 4.47Å; K294-Y317 HydrophobicContact CD-CD1 4.44Å; K294-Y317 HydrophobicContact CD-CE1 3.88Å; K294-Y317 HydrophobicContact CG-CD1 3.99Å; K294-Y317 HydrophobicContact CG-CE1 3.84Å; V315-Y317 HydrophobicContact CB-CE2 4.08Å; V315-Y317 HydrophobicContact CG1-CD1 4.26Å; V315-Y317 HydrophobicContact CG1-CD2 4.32Å; V315-Y317 HydrophobicContact CG1-CE1 3.65Å; V315-Y317 HydrophobicContact CG1-CE2 3.73Å; Y317-S355 PolarHBondContact N-O 3.24Å; Y317-L356 HydrophobicContact CD2-CD2 4.04Å; Y317-L356 HydrophobicContact CG-CD2 4.37Å; Y317-L356 WeakPolarHBondContact O-CA 3.32Å; Y317-W357 PolarHBondContact O-N 3.1Å; Y317-L373 HydrophobicContact CD2-CD1 4.44Å; Y317-L373 HydrophobicContact CE2-CD1 4.3Å; Y317-P374 PolarHBondContact OH-O 2.77Å; Y317-L376 HydrophobicContact CD1-CB 4.4Å; Y317-L376 HydrophobicContact CE1-CB 3.68Å; Y317-L376 HydrophobicContact CE2-CD1 4.37Å; Y317-L376 PolarHBondContact OH-N 3.33Å
318H95.1Very high80.8Confident63 Ų6341.2 Ų41.229%0.29225%0.248SC..EExtended strand (participates in β ladder)trans-97.9134.6171.4-68.5-91.9000109.6I291 I292 A293 W357I291-H318 CarbonylContact C-O 3.56Å; I291-H318 WeakPolarHBondContact CA-O 3.42Å; I292-H318 HydrophobicContact CG1-CB 4.03Å; I292-H318 WeakPolarHBondContact CG1-O 3.31Å; I292-H318 PolarHBondContact N-O 2.94Å; A293-H318 HydrophobicContact CB-CB 4.01Å; A293-H318 PolarHBondContact N-O 3.01Å; A293-H318 PolarHBondContact O-N 2.89Å; H318-W357 CarbonylContact C-O 3.55Å; H318-W357 WeakPolarHBondContact CA-O 3.27Å
319L93.8Very high82.9Confident0 Ų034.1 Ų34.10%021%0.21CC..EExtended strand (participates in β ladder)trans-103.7159.5-179.6-51.7-178.4000110.4V289 S290 I291 I292 E321 F327 L356 W357 P359 L382V289-L319 HydrophobicContact CG2-CD1 4.12Å; V289-L319 HydrophobicContact CG2-CD2 4.46Å; S290-L319 WeakPolarHBondContact O-CA 3.4Å; I291-L319 HydrophobicContact CG1-CD2 4.07Å; I292-L319 VanDerWaalsContact CD1-O 3.28Å; I292-L319 WeakPolarHBondContact CD1-O 3.46Å; L319-E321 WeakPolarHBondContact CB-O 3.34Å; L319-E321 PolarHBondContact O-N 2.93Å; L319-F327 HydrophobicContact CD1-CE2 4.16Å; L319-L356 HydrophobicContact CD1-CB 4.16Å; L319-L356 HydrophobicContact CD1-CD1 4.46Å; L319-W357 PolarHBondContact N-O 2.77Å; L319-P359 WeakPolarHBondContact O-CD 3.5Å; L319-L382 HydrophobicContact CD2-CD1 3.79Å
320D89.8Confident85Confident25 Ų2531 Ų3113%0.13417%0.172CC..SBendtrans-72.7-10171.454.41.6000113.8A40 V289 S290 I292A40-D320 PolarHBondContact N-OD2 2.79Å; A40-D320 VanDerWaalsContact N-OD2 3.09Å; V289-D320 WeakPolarHBondContact CB-OD1 3.13Å; S290-D320 PolarHBondContact N-OD1 3.2Å; S290-D320 VanDerWaalsContact N-OD1 3.16Å; S290-D320 PolarHBondContact N-OD2 3Å; S290-D320 PolarHBondContact O-N 3.02Å; S290-D320 VanDerWaalsContact OG-CG 3.31Å; S290-D320 PolarHBondContact OG-OD2 3.44Å; I292-D320 HydrophobicContact CG2-CB 3.75Å
321E91Very high86.7Confident20 Ų2030.1 Ų30.19%0.09316%0.16CC..  trans-134.6152.4178.9-91.6-74.7178.100111.9A40 V289 L319 G325 I326 F327 G358 P359A40-E321 HydrophobicContact CB-CB 4.48Å; A40-E321 HydrophobicContact CB-CG 3.79Å; V289-E321 HydrophobicContact CG1-CB 4.18Å; L319-E321 WeakPolarHBondContact CB-O 3.34Å; L319-E321 PolarHBondContact O-N 2.93Å; E321-G325 WeakPolarHBondContact OE2-CA 3.49Å; E321-I326 HydrophobicContact CB-CD1 4.37Å; E321-I326 HydrophobicContact CG-CD1 3.69Å; E321-I326 HydrophobicContact CG-CG1 4.17Å; E321-I326 PolarHBondContact OE2-N 3.2Å; E321-I326 VanDerWaalsContact OE2-N 3.08Å; E321-F327 HydrophobicContact CB-CD2 4.42Å; E321-F327 HydrophobicContact CB-CE2 4.16Å; E321-G358 WeakPolarHBondContact O-CA 3.48Å; E321-P359 VanDerWaalsContact C-CD 3.47Å
322G91.1Very high87.9Confident3 Ų333.1 Ų33.13%0.03117%0.166CC..  trans-143.3-173.2-168.200000114.3Y324 G325 I326 F327 D365G322-Y324 PolarHBondContact O-N 3.18Å; G322-G325 CarbonylContact O-C 3.58Å; G322-G325 PolarHBondContact O-N 3.44Å; G322-I326 PolarHBondContact O-N 3.09Å; G322-F327 WeakPolarHBondContact O-CB 3.02Å; G322-F327 PolarHBondContact O-N 2.55Å; G322-D365 WeakPolarHBondContact CA-OD1 3.44Å
323V91.2Very high88.5Confident0 Ų030.6 Ų30.60%015%0.15CC..THydrogen-bonded Turntrans-70.6-17.9-177.5-52.10000113G325 F327 N328 V330 L331 D365 C366 V367V323-G325 VanDerWaalsContact C-N 3.3Å; V323-F327 HydrophobicContact CG1-CB 4.47Å; V323-N328 WeakPolarHBondContact O-CA 3.43Å; V323-N328 VanDerWaalsContact O-CB 3.27Å; V323-N328 WeakPolarHBondContact O-CB 3.29Å; V323-N328 PolarHBondContact O-N 2.72Å; V323-V330 HydrophobicContact CG1-CB 4.07Å; V323-V330 HydrophobicContact CG1-CG1 4.31Å; V323-V330 HydrophobicContact CG1-CG2 4.4Å; V323-L331 HydrophobicContact CB-CD1 4.14Å; V323-L331 HydrophobicContact CB-CG 3.99Å; V323-L331 HydrophobicContact CG2-CD1 3.77Å; V323-L331 HydrophobicContact CG2-CD2 4.21Å; V323-L331 HydrophobicContact CG2-CG 3.95Å; V323-D365 HydrophobicContact CG2-CB 4.42Å; V323-D365 WeakPolarHBondContact CG2-OD1 3.38Å; V323-D365 PolarHBondContact N-OD1 3.3Å; V323-C366 WeakPolarHBondContact CG1-O 3.43Å; V323-V367 HydrophobicContact CG1-CG2 4.13Å
324Y88.4Confident88.8Confident79 Ų7932.8 Ų32.831%0.3117%0.166SC..THydrogen-bonded Turntrans-83.9-7.3172.3-60-68.8000113.3G322 L331 A360 D362 D365 S396G322-Y324 PolarHBondContact O-N 3.18Å; Y324-L331 HydrophobicContact CD1-CD1 4.3Å; Y324-L331 HydrophobicContact CE1-CD1 4.2Å; Y324-A360 HydrophobicContact CD2-CB 3.97Å; Y324-A360 HydrophobicContact CE2-CB 4.17Å; Y324-D362 HydrophobicContact CE2-CB 4.22Å; Y324-D362 PolarHBondContact OH-OD2 2.89Å; Y324-D365 HydrophobicContact CD2-CB 4.39Å; Y324-D365 HydrophobicContact CE2-CB 4.08Å; Y324-S396 WeakPolarHBondContact O-CB 3.35Å
325G88.4Confident88.4Confident9 Ų935.6 Ų35.69%0.09318%0.179CC..THydrogen-bonded Turntrans-119.2-117.6177.500000111.1E321 G322 V323 F327 N328E321-G325 WeakPolarHBondContact OE2-CA 3.49Å; G322-G325 CarbonylContact O-C 3.58Å; G322-G325 PolarHBondContact O-N 3.44Å; V323-G325 VanDerWaalsContact C-N 3.3Å; G325-F327 VanDerWaalsContact C-N 3.28Å; G325-F327 PolarHBondContact O-N 3.27Å; G325-N328 WeakPolarHBondContact O-CB 3.18Å; G325-N328 PolarHBondContact O-N 2.89Å; G325-N328 PolarHBondContact O-ND2 3.12Å
326I90.2Very high87.8Confident6 Ų638.5 Ų38.53%0.03120%0.199CC..THydrogen-bonded Turntrans-65.1-31-172.7-63.9173.2000112.4A40 F42 V287 E321 G322 N328 M387 T391 C404A40-I326 HydrophobicContact CB-CD1 4.37Å; F42-I326 HydrophobicContact CE1-CG2 4.36Å; F42-I326 HydrophobicContact CE2-CD1 3.61Å; F42-I326 HydrophobicContact CE2-CG1 4Å; F42-I326 HydrophobicContact CZ-CB 4.44Å; F42-I326 HydrophobicContact CZ-CD1 3.81Å; F42-I326 HydrophobicContact CZ-CG1 3.95Å; F42-I326 HydrophobicContact CZ-CG2 3.67Å; V287-I326 HydrophobicContact CG1-CG2 4.3Å; V287-I326 HydrophobicContact CG2-CD1 3.87Å; V287-I326 HydrophobicContact CG2-CG2 4.42Å; E321-I326 HydrophobicContact CB-CD1 4.37Å; E321-I326 HydrophobicContact CG-CD1 3.69Å; E321-I326 HydrophobicContact CG-CG1 4.17Å; E321-I326 PolarHBondContact OE2-N 3.2Å; E321-I326 VanDerWaalsContact OE2-N 3.08Å; G322-I326 PolarHBondContact O-N 3.09Å; I326-N328 VanDerWaalsContact C-N 3.3Å; I326-N328 PolarHBondContact O-N 3.1Å; I326-M387 HydrophobicContact CG2-CE 3.53Å; I326-M387 WeakPolarHBondContact O-CE 3.49Å; I326-T391 WeakPolarHBondContact O-CG2 3.46Å; I326-C404 HydrophobicContact CD1-CB 4.01Å
327F91.4Very high87.3Confident0 Ų038.2 Ų38.20%020%0.198CC..THydrogen-bonded Turntrans-91.221.4-177.1-60.2-70.7000113.9V289 L319 E321 G322 V323 G325 S329 V330 P337 V367 F384 M387V289-F327 HydrophobicContact CG1-CE2 4.08Å; V289-F327 HydrophobicContact CG1-CZ 4.05Å; V289-F327 HydrophobicContact CG2-CZ 4.23Å; L319-F327 HydrophobicContact CD1-CE2 4.16Å; E321-F327 HydrophobicContact CB-CD2 4.42Å; E321-F327 HydrophobicContact CB-CE2 4.16Å; G322-F327 WeakPolarHBondContact O-CB 3.02Å; G322-F327 PolarHBondContact O-N 2.55Å; V323-F327 HydrophobicContact CG1-CB 4.47Å; G325-F327 VanDerWaalsContact C-N 3.28Å; G325-F327 PolarHBondContact O-N 3.27Å; F327-S329 PolarHBondContact O-N 3.3Å; F327-V330 HydrophobicContact CB-CG2 4.44Å; F327-V330 WeakPolarHBondContact O-CB 3.34Å; F327-V330 WeakPolarHBondContact O-CG2 3.48Å; F327-V330 PolarHBondContact O-N 2.89Å; F327-P337 HydrophobicContact CD1-CG 3.55Å; F327-P337 HydrophobicContact CE1-CG 3.77Å; F327-V367 HydrophobicContact CB-CG1 4.1Å; F327-V367 HydrophobicContact CB-CG2 4.03Å; F327-V367 HydrophobicContact CD1-CG1 3.71Å; F327-V367 HydrophobicContact CD2-CG1 4.02Å; F327-V367 HydrophobicContact CD2-CG2 3.75Å; F327-V367 HydrophobicContact CE1-CG1 4.08Å; F327-V367 HydrophobicContact CE2-CG1 4.36Å; F327-V367 HydrophobicContact CE2-CG2 4.42Å; F327-V367 HydrophobicContact CG-CB 4.48Å; F327-V367 HydrophobicContact CG-CG1 3.67Å; F327-V367 HydrophobicContact CG-CG2 3.95Å; F327-V367 HydrophobicContact CZ-CG1 4.39Å; F327-F384 HydrophobicContact CE1-CD1 4.01Å; F327-F384 AromaticContact CE1-CD2 3.99Å; F327-F384 HydrophobicContact CE1-CD2 3.99Å; F327-F384 HydrophobicContact CE1-CE1 4.08Å; F327-F384 HydrophobicContact CE1-CE2 4.12Å; F327-F384 AromaticContact CE1-CG 3.93Å; F327-F384 HydrophobicContact CE1-CG 3.93Å; F327-F384 HydrophobicContact CE1-CZ 4.13Å; F327-F384 AromaticContact CZ-CD2 3.78Å; F327-F384 HydrophobicContact CZ-CD2 3.78Å; F327-F384 HydrophobicContact CZ-CE1 4.4Å; F327-F384 AromaticContact CZ-CE2 3.69Å; F327-F384 HydrophobicContact CZ-CE2 3.69Å; F327-F384 HydrophobicContact CZ-CG 4.21Å; F327-F384 AromaticContact CZ-CZ 3.98Å; F327-F384 HydrophobicContact CZ-CZ 3.98Å; F327-M387 HydrophobicContact CD1-CE 3.8Å; F327-M387 HydrophobicContact CE1-CE 3.92Å
328N88.1Confident86.9Confident8 Ų843.4 Ų43.44%0.04323%0.23CC..THydrogen-bonded Turntrans-61.1-16.9178.876.171.9000114.4V323 G325 I326 V330 L331 F332 Y390V323-N328 WeakPolarHBondContact O-CA 3.43Å; V323-N328 VanDerWaalsContact O-CB 3.27Å; V323-N328 WeakPolarHBondContact O-CB 3.29Å; V323-N328 PolarHBondContact O-N 2.72Å; G325-N328 WeakPolarHBondContact O-CB 3.18Å; G325-N328 PolarHBondContact O-N 2.89Å; G325-N328 PolarHBondContact O-ND2 3.12Å; I326-N328 VanDerWaalsContact C-N 3.3Å; I326-N328 PolarHBondContact O-N 3.1Å; N328-V330 PolarHBondContact O-N 3.04Å; N328-V330 VanDerWaalsContact O-N 3.15Å; N328-L331 PolarHBondContact O-N 2.96Å; N328-F332 HydrophobicContact CB-CD2 3.85Å; N328-F332 HydrophobicContact CB-CE2 3.98Å; N328-F332 VanDerWaalsContact O-CD2 3.31Å; N328-F332 WeakPolarHBondContact O-CD2 3.41Å; N328-F332 PolarHBondContact O-N 3.08Å; N328-Y390 PolarHBondContact ND2-O 3.15Å; N328-Y390 PolarHBondContact OD1-O 3.24Å
329S85.3Confident86.8Confident10 Ų1041.1 Ų41.17%0.0722%0.22CC..Hα-helixtrans-55.8-27.8170.164.40000112.7F327 D333 N334 I335F327-S329 PolarHBondContact O-N 3.3Å; S329-D333 CarbonylContact O-C 3.58Å; S329-D333 WeakPolarHBondContact O-CA 3.41Å; S329-D333 WeakPolarHBondContact O-CB 3.38Å; S329-D333 PolarHBondContact O-N 3.38Å; S329-N334 PolarHBondContact O-N 3.36Å; S329-I335 CarbonylContact C-O 3.57Å; S329-I335 PolarHBondContact O-N 3.37Å; S329-I335 VanDerWaalsContact O-N 3.13Å; S329-I335 PolarHBondContact OG-O 3.32Å
330V87.4Confident86.6Confident30 Ų3043.6 Ų43.618%0.18223%0.233CC..Hα-helixtrans-64.6-42.1175.3-179.50000110.4V323 F327 N328 N334 I335V323-V330 HydrophobicContact CG1-CB 4.07Å; V323-V330 HydrophobicContact CG1-CG1 4.31Å; V323-V330 HydrophobicContact CG1-CG2 4.4Å; F327-V330 HydrophobicContact CB-CG2 4.44Å; F327-V330 WeakPolarHBondContact O-CB 3.34Å; F327-V330 WeakPolarHBondContact O-CG2 3.48Å; F327-V330 PolarHBondContact O-N 2.89Å; N328-V330 PolarHBondContact O-N 3.04Å; N328-V330 VanDerWaalsContact O-N 3.15Å; V330-N334 WeakPolarHBondContact O-CA 3.46Å; V330-I335 PolarHBondContact N-O 3.49Å
331L85.9Confident86.5Confident77 Ų7744 Ų4440%0.40324%0.235SC..Hα-helixtrans-78.7-43.6179.9-64.7179.2000113V323 Y324 N328V323-L331 HydrophobicContact CB-CD1 4.14Å; V323-L331 HydrophobicContact CB-CG 3.99Å; V323-L331 HydrophobicContact CG2-CD1 3.77Å; V323-L331 HydrophobicContact CG2-CD2 4.21Å; V323-L331 HydrophobicContact CG2-CG 3.95Å; Y324-L331 HydrophobicContact CD1-CD1 4.3Å; Y324-L331 HydrophobicContact CE1-CD1 4.2Å; N328-L331 PolarHBondContact O-N 2.96Å
332F81.7Confident85.7Confident149 Ų14946.3 Ų46.365%0.65425%0.246SC*.Hα-helixtrans-97.7-30.8-168-63.6-63.6000114N328N328-F332 HydrophobicContact CB-CD2 3.85Å; N328-F332 HydrophobicContact CB-CE2 3.98Å; N328-F332 VanDerWaalsContact O-CD2 3.31Å; N328-F332 WeakPolarHBondContact O-CD2 3.41Å; N328-F332 PolarHBondContact O-N 3.08Å
333D75.1Confident84.8Confident18 Ų1854.3 Ų54.310%0.09628%0.28CS..THydrogen-bonded Turntrans-109.7-6.6-179-66.8-37.4000112.5R278 S329 I335R278-D333 IonicContact CZ-OD1 3.45Å; R278-D333 IonicContact CZ-OD2 3.01Å; R278-D333 IonicContact NH1-OD1 2.97Å; R278-D333 IonicContact NH1-OD2 2.96Å; R278-D333 PolarHBondContact NH1-OD2 3.47Å; R278-D333 IonicContact NH2-OD1 3.29Å; R278-D333 PolarHBondContact NH2-OD1 2.86Å; R278-D333 IonicContact NH2-OD2 2.68Å; R278-D333 PolarHBondContact NH2-OD2 3.19Å; S329-D333 CarbonylContact O-C 3.58Å; S329-D333 WeakPolarHBondContact O-CA 3.41Å; S329-D333 WeakPolarHBondContact O-CB 3.38Å; S329-D333 PolarHBondContact O-N 3.38Å; D333-I335 HydrophobicContact CB-CB 4.42Å; D333-I335 HydrophobicContact CB-CD1 3.93Å; D333-I335 HydrophobicContact CB-CG1 4.04Å; D333-I335 PolarHBondContact O-N 2.98Å
334N78.7Confident83.7Confident145 Ų14563.6 Ų63.678%0.77532%0.32SS*.  trans52.933.6-170.4-63.2-56.2000113S329 V330S329-N334 PolarHBondContact O-N 3.36Å; V330-N334 WeakPolarHBondContact O-CA 3.46Å
335I79.6Confident82.5Confident81 Ų8162.6 Ų62.642%0.41532%0.324SS..  trans-108.4114.1178.9-63.3171.8000108.5S329 V330 D333 P337S329-I335 CarbonylContact C-O 3.57Å; S329-I335 PolarHBondContact O-N 3.37Å; S329-I335 VanDerWaalsContact O-N 3.13Å; S329-I335 PolarHBondContact OG-O 3.32Å; V330-I335 PolarHBondContact N-O 3.49Å; D333-I335 HydrophobicContact CB-CB 4.42Å; D333-I335 HydrophobicContact CB-CD1 3.93Å; D333-I335 HydrophobicContact CB-CG1 4.04Å; D333-I335 PolarHBondContact O-N 2.98Å; I335-P337 WeakPolarHBondContact O-CD 3.29Å
336C81.6Confident81.6Confident65 Ų6565.2 Ų65.244%0.43934%0.34SS..  trans-88.5112.9171.7-176.50000109.4V367 A368C336-V367 PolarHBondContact SG-O 3.38Å; C336-A368 WeakPolarHBondContact SG-CB 3.41Å
337P83.9Confident80.5Confident15 Ų1572.4 Ų72.410%0.09739%0.385CS..PPolyproline II helixtrans-74.4143.6179.630.4-31000110.4F327 I335 F384 M387F327-P337 HydrophobicContact CD1-CG 3.55Å; F327-P337 HydrophobicContact CE1-CG 3.77Å; I335-P337 WeakPolarHBondContact O-CD 3.29Å; P337-F384 HydrophobicContact CB-CD1 3.83Å; P337-F384 HydrophobicContact CB-CE1 4.46Å; P337-F384 HydrophobicContact CG-CD1 4.06Å; P337-F384 HydrophobicContact CG-CE1 4.34Å; P337-M387 HydrophobicContact CB-SD 4.06Å; P337-M387 HydrophobicContact CG-SD 4.36Å
338T87.6Confident79.5Confident108 Ų10881.2 Ų81.266%0.66343%0.426SS*.PPolyproline II helixtrans-89.6126-178-54.60000110.1
339P92.1Very high79.1Confident15 Ų1585.4 Ų85.410%0.09745%0.445CS..PPolyproline II helixtrans-69.8138.9177.229.3-35.3000111.1L356 L371 L373 L382 F384P339-L356 HydrophobicContact CB-CD1 4.23Å; P339-L356 HydrophobicContact CG-CD1 4.05Å; P339-L371 HydrophobicContact CG-CD1 3.82Å; P339-L373 HydrophobicContact CG-CD2 4.22Å; P339-L382 HydrophobicContact CB-CD1 4.4Å; P339-L382 HydrophobicContact CB-CD2 4.32Å; P339-F384 VanDerWaalsContact CA-CE1 3.49Å; P339-F384 HydrophobicContact CB-CD1 4.46Å; P339-F384 HydrophobicContact CB-CE1 3.7Å; P339-F384 HydrophobicContact CB-CE2 4.42Å; P339-F384 HydrophobicContact CB-CZ 3.68Å; P339-F384 HydrophobicContact CG-CE1 4.41Å
340I90.8Very high79Confident53 Ų5388.6 Ų88.627%0.27247%0.466SS..EExtended strand (participates in β ladder)trans-109.8123.7173.6-58.7170.4000107.6V383 D385I340-V383 WeakPolarHBondContact CA-O 3.47Å; I340-V383 HydrophobicContact CB-CB 4.23Å; I340-V383 WeakPolarHBondContact CB-O 3.18Å; I340-V383 PolarHBondContact N-O 3.3Å; I340-V383 PolarHBondContact O-N 2.73Å; I340-D385 HydrophobicContact CD1-CB 4.04Å; I340-D385 WeakPolarHBondContact CD1-OD2 3.44Å
341L86.7Confident79.1Confident34 Ų3491.4 Ų91.418%0.17848%0.479CS..EExtended strand (participates in β ladder)trans-81.7130.1176.9-54.2179000109.6P345 P374 L376 L382L341-P345 HydrophobicContact CD1-CG 4.35Å; L341-P374 VanDerWaalsContact CD1-CD 3.43Å; L341-P374 HydrophobicContact CD1-CG 3.43Å; L341-P374 VanDerWaalsContact CD1-CG 3.43Å; L341-L376 HydrophobicContact CD2-CD1 4.05Å; L341-L376 HydrophobicContact CD2-CD2 4.03Å; L341-L382 HydrophobicContact CD2-CD2 3.55Å
342Q73.9Confident79.3Confident67 Ų6790.9 Ų90.931%0.31347%0.472SS..SBendtrans-65.4-41.8177.4-68.9-155.8-14.900112.4T27 V383T27-Q342 PolarHBondContact OG1-NE2 3.34Å; T27-Q342 PolarHBondContact OG1-OE1 3.33Å; T27-Q342 VanDerWaalsContact OG1-OE1 3.1Å; Q342-V383 HydrophobicContact CG-CG2 3.71Å
343K73.3Confident79.8Confident171 Ų17185.1 Ų85.174%0.74345%0.451SS*.SBendtrans-87.3117171.5-66.3177.2-174.8167.20107.5P345K343-P345 WeakPolarHBondContact O-CD 3.38Å
344K67.6Low80.7Confident195 Ų19584.3 Ų84.385%0.84845%0.446SS*.PPolyproline II helixtrans-59122.6170.5-77.8-175177-179.10107.8S346K344-S346 PolarHBondContact O-N 2.9Å
345P63.6Low81.4Confident59 Ų5978 Ų7838%0.38341%0.413SS..PPolyproline II helixtrans-60136.1174.322.5-28.9000108.3L341 K343 P374L341-P345 HydrophobicContact CD1-CG 4.35Å; K343-P345 WeakPolarHBondContact O-CD 3.38Å; P345-P374 HydrophobicContact CB-CB 4.4Å; P345-P374 HydrophobicContact CB-CG 4.21Å
346S69.3Low82.2Confident63 Ų6374.1 Ų74.144%0.44139%0.393SS..PPolyproline II helixtrans-60.5143.7169.253.80000108.6K344 E348 Q349K344-S346 PolarHBondContact O-N 2.9Å; S346-E348 PolarHBondContact O-N 3.23Å; S346-Q349 PolarHBondContact O-N 2.79Å; S346-Q349 VanDerWaalsContact OG-CG 3.24Å; S346-Q349 WeakPolarHBondContact OG-CG 3.48Å; S346-Q349 PolarHBondContact OG-NE2 3.19Å
347T66.8Low82.8Confident158 Ų15873.7 Ų73.797%0.96938%0.383SS*.THydrogen-bonded Turntrans-55.5-16.2-178.30.90000114.3
348E70.7Confident83.3Confident185 Ų18573 Ų7386%0.86438%0.379SS*.THydrogen-bonded Turntrans-99.6-0.6-178.6-59.3-176.116600114.2S346S346-E348 PolarHBondContact O-N 3.23Å
349Q78.8Confident83.4Confident96 Ų9670.8 Ų70.845%0.44937%0.366SS..PPolyproline II helixtrans-76.7133.6-179.4-91.7169.612.300111.9S346S346-Q349 PolarHBondContact O-N 2.79Å; S346-Q349 VanDerWaalsContact OG-CG 3.24Å; S346-Q349 WeakPolarHBondContact OG-CG 3.48Å; S346-Q349 PolarHBondContact OG-NE2 3.19Å
350P84.8Confident83.3Confident77 Ų7772.1 Ų72.150%0.538%0.379SS..PPolyproline II helixtrans-66.2138.9175.427.8-33.5000110.7Y352P350-Y352 HydrophobicContact CB-CE2 4.22Å; P350-Y352 HydrophobicContact CG-CE2 4.05Å; P350-Y352 WeakPolarHBondContact CG-OH 3.32Å; P350-Y352 WeakPolarHBondContact O-CE2 3.49Å
351L89.2Confident83.2Confident89 Ų8977.4 Ų77.447%0.46641%0.413SS..PPolyproline II helixtrans-99.6144.5173.7-62.3176.4000110.2W372 L373 P374L351-W372 HydrophobicContact CB-CB 4.35Å; L351-W372 HydrophobicContact CB-CE3 4.17Å; L351-W372 HydrophobicContact CD1-CB 4.33Å; L351-L373 WeakPolarHBondContact CA-O 3.15Å; L351-P374 HydrophobicContact CD2-CB 4.34Å
352Y89.6Confident83.2Confident66 Ų6679.1 Ų79.126%0.25942%0.422SS..EExtended strand (participates in β ladder)trans-121.6140.1-179.1-57.4-89000110V315 P350 S354 L373 Q375V315-Y352 HydrophobicContact CG2-CG 4.35Å; P350-Y352 HydrophobicContact CB-CE2 4.22Å; P350-Y352 HydrophobicContact CG-CE2 4.05Å; P350-Y352 WeakPolarHBondContact CG-OH 3.32Å; P350-Y352 WeakPolarHBondContact O-CE2 3.49Å; Y352-S354 PolarHBondContact O-N 2.91Å; Y352-S354 PolarHBondContact O-OG 3.14Å; Y352-L373 PolarHBondContact N-O 3.39Å; Y352-L373 PolarHBondContact O-N 2.83Å; Y352-L373 VanDerWaalsContact O-N 3.11Å; Y352-Q375 HydrophobicContact CD2-CB 4.35Å; Y352-Q375 HydrophobicContact CE2-CB 3.91Å
353S92.8Very high83.8Confident28 Ų2878.9 Ų78.920%0.19644%0.437CS..EExtended strand (participates in β ladder)trans-59122.8167.6-176.30000108.7T314 V315 L371T314-S353 CarbonylContact C-O 3.48Å; T314-S353 VanDerWaalsContact CA-O 3.32Å; T314-S353 WeakPolarHBondContact CA-O 3.13Å; V315-S353 PolarHBondContact N-O 3.04Å; S353-L371 CarbonylContact C-O 3.59Å; S353-L371 WeakPolarHBondContact CA-O 3.45Å
354S93.7Very high84.6Confident1 Ų174.4 Ų74.41%0.00743%0.427CS..EExtended strand (participates in β ladder)trans-137.5151.1-167.9-57.20000112.3V315 Y352 G370 L371V315-S354 CarbonylContact O-C 2.89Å; V315-S354 WeakPolarHBondContact O-CA 3.37Å; Y352-S354 PolarHBondContact O-N 2.91Å; Y352-S354 PolarHBondContact O-OG 3.14Å; S354-G370 PolarHBondContact O-N 3.08Å; S354-L371 PolarHBondContact N-O 3.1Å; S354-L371 PolarHBondContact O-N 2.73Å
355S94.1Very high85.8Confident11 Ų1165.2 Ų65.28%0.07739%0.387CS..EExtended strand (participates in β ladder)trans-132.2149.9169.953.60000111.6V315 Y317 W357 A368V315-S355 PolarHBondContact O-N 3.27Å; Y317-S355 PolarHBondContact N-O 3.24Å; S355-W357 PolarHBondContact OG-NE1 3.31Å; S355-A368 CarbonylContact C-O 3.58Å; S355-A368 VanDerWaalsContact CA-O 3.27Å; S355-A368 WeakPolarHBondContact CA-O 3.42Å; S355-A368 WeakPolarHBondContact CB-O 3.15Å
356L95.4Very high87.1Confident0 Ų063.4 Ų63.40%038%0.376CS..EExtended strand (participates in β ladder)trans-114.3126.8-179.8-56.3-177.3000109.4Y317 L319 P339 V367 A368 L371 L373 L382 F384Y317-L356 HydrophobicContact CD2-CD2 4.04Å; Y317-L356 HydrophobicContact CG-CD2 4.37Å; Y317-L356 WeakPolarHBondContact O-CA 3.32Å; L319-L356 HydrophobicContact CD1-CB 4.16Å; L319-L356 HydrophobicContact CD1-CD1 4.46Å; P339-L356 HydrophobicContact CB-CD1 4.23Å; P339-L356 HydrophobicContact CG-CD1 4.05Å; L356-V367 HydrophobicContact CB-CB 4.23Å; L356-V367 PolarHBondContact O-N 3.05Å; L356-A368 HydrophobicContact CB-CB 4.3Å; L356-A368 HydrophobicContact CD1-CB 4.33Å; L356-A368 HydrophobicContact CG-CB 4.4Å; L356-A368 PolarHBondContact N-O 3.1Å; L356-A368 PolarHBondContact O-N 2.89Å; L356-L371 HydrophobicContact CD1-CD1 3.76Å; L356-L371 HydrophobicContact CG-CD1 3.82Å; L356-L373 HydrophobicContact CD2-CD1 4.23Å; L356-L382 HydrophobicContact CD1-CD1 3.92Å; L356-L382 HydrophobicContact CD2-CD1 3.85Å; L356-F384 HydrophobicContact CD1-CZ 3.98Å
357W95.2Very high88.3Confident56 Ų5660.5 Ų60.521%0.21236%0.355CS..EExtended strand (participates in β ladder)trans-125.7143.6-176-63.774.5000109.7V316 Y317 H318 L319 S355 G363 D365 C366V316-W357 VanDerWaalsContact CG1-CD1 3.45Å; V316-W357 HydrophobicContact CG1-CG 4.23Å; Y317-W357 PolarHBondContact O-N 3.1Å; H318-W357 CarbonylContact C-O 3.55Å; H318-W357 WeakPolarHBondContact CA-O 3.27Å; L319-W357 PolarHBondContact N-O 2.77Å; S355-W357 PolarHBondContact OG-NE1 3.31Å; W357-G363 VanDerWaalsContact CZ3-O 3.32Å; W357-G363 WeakPolarHBondContact CZ3-O 3.4Å; W357-D365 CarbonylContact C-O 3.51Å; W357-D365 WeakPolarHBondContact CA-O 3.4Å; W357-C366 HydrophobicContact CD2-CB 4.26Å; W357-C366 HydrophobicContact CE3-CB 3.88Å; W357-C366 HydrophobicContact CH2-CB 3.91Å; W357-C366 HydrophobicContact CZ2-CB 4.27Å; W357-C366 HydrophobicContact CZ3-CB 3.72Å
358G93.4Very high89.5Confident2 Ų253.2 Ų53.22%0.02131%0.311CS..  trans-76.6-178.1173.200000112.9E321 D365E321-G358 WeakPolarHBondContact O-CA 3.48Å; G358-D365 VanDerWaalsContact CA-CG 3.45Å; G358-D365 WeakPolarHBondContact CA-OD2 3.34Å; G358-D365 PolarHBondContact N-O 3.15Å
359P90.7Very high90.5Very high60 Ų6050.6 Ų50.639%0.3930%0.298SS..SBendtrans-81.9-11.3-175.733.5-37.3000113.6I292 L319 E321I292-P359 HydrophobicContact CD1-CB 4.3Å; L319-P359 WeakPolarHBondContact O-CD 3.5Å; E321-P359 VanDerWaalsContact C-CD 3.47Å
360A88.6Confident91Very high44 Ų4448.6 Ų48.636%0.36430%0.304SS..SBendtrans-71.2145.2-176.900000111.3Y324 D362 D365Y324-A360 HydrophobicContact CD2-CB 3.97Å; Y324-A360 HydrophobicContact CE2-CB 4.17Å; A360-D362 PolarHBondContact O-N 3.35Å; A360-D365 HydrophobicContact CB-CB 4.01Å; A360-D365 WeakPolarHBondContact CB-OD2 3.4Å; A360-D365 PolarHBondContact N-OD2 3.07Å
361V88.5Confident91.3Very high163 Ų16346.5 Ų46.599%0.98829%0.288SS*.SBendtrans-80.755.1174.2-165.80000109.8
362D87.5Confident91.4Very high71 Ų7150.2 Ų50.238%0.3830%0.296SS..SBendtrans-136.8130.2178.7-166.1-29.1000109.2Y324 A360 C364 D365Y324-D362 HydrophobicContact CE2-CB 4.22Å; Y324-D362 PolarHBondContact OH-OD2 2.89Å; A360-D362 PolarHBondContact O-N 3.35Å; D362-C364 PolarHBondContact O-N 2.63Å; D362-C364 VanDerWaalsContact O-N 3.15Å; D362-C364 WeakPolarHBondContact OD1-CB 3.44Å; D362-C364 PolarHBondContact OD1-N 3.23Å; D362-C364 PolarHBondContact OD1-SG 3.32Å; D362-D365 WeakPolarHBondContact O-CB 3.36Å; D362-D365 PolarHBondContact O-N 2.84Å
363G86.9Confident91.4Very high61 Ų6147.6 Ų47.663%0.62929%0.287SS*.THydrogen-bonded Turntrans-66.9-8.6175.300000113.8W357W357-G363 VanDerWaalsContact CZ3-O 3.32Å; W357-G363 WeakPolarHBondContact CZ3-O 3.4Å
364C89Confident91.4Very high77 Ų7746.7 Ų46.752%0.5228%0.28SS..THydrogen-bonded Turntrans-84.6-11.2171.3-54.20000112.7D362 C366D362-C364 PolarHBondContact O-N 2.63Å; D362-C364 VanDerWaalsContact O-N 3.15Å; D362-C364 WeakPolarHBondContact OD1-CB 3.44Å; D362-C364 PolarHBondContact OD1-N 3.23Å; D362-C364 PolarHBondContact OD1-SG 3.32Å; C364-C366 PolarHBondContact O-N 3.09Å
365D92.4Very high91.2Very high2 Ų251 Ų511%0.01130%0.3CS..  trans-79.652.1178.2-162.610.4000112.4G322 V323 Y324 W357 G358 A360 D362G322-D365 WeakPolarHBondContact CA-OD1 3.44Å; V323-D365 HydrophobicContact CG2-CB 4.42Å; V323-D365 WeakPolarHBondContact CG2-OD1 3.38Å; V323-D365 PolarHBondContact N-OD1 3.3Å; Y324-D365 HydrophobicContact CD2-CB 4.39Å; Y324-D365 HydrophobicContact CE2-CB 4.08Å; W357-D365 CarbonylContact C-O 3.51Å; W357-D365 WeakPolarHBondContact CA-O 3.4Å; G358-D365 VanDerWaalsContact CA-CG 3.45Å; G358-D365 WeakPolarHBondContact CA-OD2 3.34Å; G358-D365 PolarHBondContact N-O 3.15Å; A360-D365 HydrophobicContact CB-CB 4.01Å; A360-D365 WeakPolarHBondContact CB-OD2 3.4Å; A360-D365 PolarHBondContact N-OD2 3.07Å; D362-D365 WeakPolarHBondContact O-CB 3.36Å; D362-D365 PolarHBondContact O-N 2.84Å
366C92.9Very high91.1Very high22 Ų2251.2 Ų51.215%0.14930%0.3CS..EExtended strand (participates in β ladder)trans-104.5113.3179.4-170.30000109.6V323 W357 C364 E369V323-C366 WeakPolarHBondContact CG1-O 3.43Å; W357-C366 HydrophobicContact CD2-CB 4.26Å; W357-C366 HydrophobicContact CE3-CB 3.88Å; W357-C366 HydrophobicContact CH2-CB 3.91Å; W357-C366 HydrophobicContact CZ2-CB 4.27Å; W357-C366 HydrophobicContact CZ3-CB 3.72Å; C364-C366 PolarHBondContact O-N 3.09Å; C366-E369 WeakPolarHBondContact SG-CG 3.28Å
367V93.4Very high90.9Very high2 Ų256 Ų561%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-81-42.9-177.8176.80000110.7V323 F327 C336 L356V323-V367 HydrophobicContact CG1-CG2 4.13Å; F327-V367 HydrophobicContact CB-CG1 4.1Å; F327-V367 HydrophobicContact CB-CG2 4.03Å; F327-V367 HydrophobicContact CD1-CG1 3.71Å; F327-V367 HydrophobicContact CD2-CG1 4.02Å; F327-V367 HydrophobicContact CD2-CG2 3.75Å; F327-V367 HydrophobicContact CE1-CG1 4.08Å; F327-V367 HydrophobicContact CE2-CG1 4.36Å; F327-V367 HydrophobicContact CE2-CG2 4.42Å; F327-V367 HydrophobicContact CG-CB 4.48Å; F327-V367 HydrophobicContact CG-CG1 3.67Å; F327-V367 HydrophobicContact CG-CG2 3.95Å; F327-V367 HydrophobicContact CZ-CG1 4.39Å; C336-V367 PolarHBondContact SG-O 3.38Å; L356-V367 HydrophobicContact CB-CB 4.23Å; L356-V367 PolarHBondContact O-N 3.05Å
368A93Very high90.8Very high4 Ų457.7 Ų57.73%0.03334%0.339CS..EExtended strand (participates in β ladder)trans-157.4140.5-178.500000112.2C336 S355 L356 L371C336-A368 WeakPolarHBondContact SG-CB 3.41Å; S355-A368 CarbonylContact C-O 3.58Å; S355-A368 VanDerWaalsContact CA-O 3.27Å; S355-A368 WeakPolarHBondContact CA-O 3.42Å; S355-A368 WeakPolarHBondContact CB-O 3.15Å; L356-A368 HydrophobicContact CB-CB 4.3Å; L356-A368 HydrophobicContact CD1-CB 4.33Å; L356-A368 HydrophobicContact CG-CB 4.4Å; L356-A368 PolarHBondContact N-O 3.1Å; L356-A368 PolarHBondContact O-N 2.89Å; A368-L371 HydrophobicContact CB-CD1 3.68Å; A368-L371 HydrophobicContact CB-CD2 4.4Å; A368-L371 HydrophobicContact CB-CG 4.09Å
369E90.6Very high90.6Very high130 Ų13059.5 Ų59.561%0.60736%0.358SS*.EExtended strand (participates in β ladder)trans-126.2159.8173.7-57.9-170129.100111.4C366 L371C366-E369 WeakPolarHBondContact SG-CG 3.28Å; E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 2.84Å
370G88.4Confident90.6Very high54 Ų5459 Ų5956%0.55735%0.352SS*.EExtended strand (participates in β ladder)trans71.222.4175.300000114.1S354S354-G370 PolarHBondContact O-N 3.08Å
371L91.4Very high90.8Very high33 Ų3357.9 Ų57.917%0.17334%0.338CS..EExtended strand (participates in β ladder)trans-78.6148.4177-60.2178.9000110.7P339 S353 S354 L356 A368 E369 L373P339-L371 HydrophobicContact CG-CD1 3.82Å; S353-L371 CarbonylContact C-O 3.59Å; S353-L371 WeakPolarHBondContact CA-O 3.45Å; S354-L371 PolarHBondContact N-O 3.1Å; S354-L371 PolarHBondContact O-N 2.73Å; L356-L371 HydrophobicContact CD1-CD1 3.76Å; L356-L371 HydrophobicContact CG-CD1 3.82Å; A368-L371 HydrophobicContact CB-CD1 3.68Å; A368-L371 HydrophobicContact CB-CD2 4.4Å; A368-L371 HydrophobicContact CB-CG 4.09Å; E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 2.84Å; L371-L373 HydrophobicContact CB-CD1 4.31Å; L371-L373 HydrophobicContact CB-CG 4.06Å; L371-L373 HydrophobicContact CD1-CD1 4.18Å
372W91.1Very high91Very high167 Ų16750.2 Ų50.263%0.63329%0.291SS*.EExtended strand (participates in β ladder)trans-108.799.7171.4-70.990000109L351L351-W372 HydrophobicContact CB-CB 4.35Å; L351-W372 HydrophobicContact CB-CE3 4.17Å; L351-W372 HydrophobicContact CD1-CB 4.33Å
373L90.9Very high91.4Very high12 Ų1247 Ų476%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-116.7148.5-175.3-61.1177.3000110.6Y317 P339 L351 Y352 L356 L371 L376Y317-L373 HydrophobicContact CD2-CD1 4.44Å; Y317-L373 HydrophobicContact CE2-CD1 4.3Å; P339-L373 HydrophobicContact CG-CD2 4.22Å; L351-L373 WeakPolarHBondContact CA-O 3.15Å; Y352-L373 PolarHBondContact N-O 3.39Å; Y352-L373 PolarHBondContact O-N 2.83Å; Y352-L373 VanDerWaalsContact O-N 3.11Å; L356-L373 HydrophobicContact CD2-CD1 4.23Å; L371-L373 HydrophobicContact CB-CD1 4.31Å; L371-L373 HydrophobicContact CB-CG 4.06Å; L371-L373 HydrophobicContact CD1-CD1 4.18Å; L373-L376 HydrophobicContact CD1-CD1 4.21Å
374P91.6Very high91.7Very high9 Ų944.1 Ų44.16%0.05825%0.245CC..  trans-63.4172.3166.431.8-36000109.9Y317 L341 P345 L351 L376Y317-P374 PolarHBondContact OH-O 2.77Å; L341-P374 VanDerWaalsContact CD1-CD 3.43Å; L341-P374 HydrophobicContact CD1-CG 3.43Å; L341-P374 VanDerWaalsContact CD1-CG 3.43Å; P345-P374 HydrophobicContact CB-CB 4.4Å; P345-P374 HydrophobicContact CB-CG 4.21Å; L351-P374 HydrophobicContact CD2-CB 4.34Å; P374-L376 HydrophobicContact CG-CD2 4.19Å; P374-L376 PolarHBondContact O-N 3.08Å; P374-L376 VanDerWaalsContact O-N 3.1Å
375Q89.9Confident91.9Very high91 Ų9142.8 Ų42.843%0.42523%0.232SC..  trans-68.3112.6175.4-164.917526.700110.6K294 Y352K294-Q375 VanDerWaalsContact NZ-CG 3.26Å; Y352-Q375 HydrophobicContact CD2-CB 4.35Å; Y352-Q375 HydrophobicContact CE2-CB 3.91Å
376L92.3Very high92Very high15 Ų1546.3 Ų46.38%0.07925%0.251CS..  trans-100.4164.3174.6-52.2173.9000110.5I291 K294 Y317 L341 L373 P374 D380 L382I291-L376 HydrophobicContact CD1-CB 3.64Å; I291-L376 HydrophobicContact CD1-CD1 3.75Å; I291-L376 HydrophobicContact CD1-CG 4.33Å; K294-L376 WeakPolarHBondContact CD-O 3.15Å; K294-L376 WeakPolarHBondContact CE-O 3.22Å; K294-L376 PolarHBondContact NZ-O 2.69Å; Y317-L376 HydrophobicContact CD1-CB 4.4Å; Y317-L376 HydrophobicContact CE1-CB 3.68Å; Y317-L376 HydrophobicContact CE2-CD1 4.37Å; Y317-L376 PolarHBondContact OH-N 3.33Å; L341-L376 HydrophobicContact CD2-CD1 4.05Å; L341-L376 HydrophobicContact CD2-CD2 4.03Å; L373-L376 HydrophobicContact CD1-CD1 4.21Å; P374-L376 HydrophobicContact CG-CD2 4.19Å; P374-L376 PolarHBondContact O-N 3.08Å; P374-L376 VanDerWaalsContact O-N 3.1Å; L376-D380 WeakPolarHBondContact CA-OD2 3.42Å; L376-L382 HydrophobicContact CD1-CD2 3.78Å
377H91.9Very high92Very high101 Ų10145.6 Ų45.647%0.46825%0.246SC..  trans-126.5160.4-176.7-59.385.5000111.5G379 D380H377-G379 PolarHBondContact O-N 2.88Å; H377-D380 PolarHBondContact N-OD2 3.23Å; H377-D380 IonicContact ND1-OD2 3.76Å; H377-D380 VanDerWaalsContact O-CB 3.3Å; H377-D380 WeakPolarHBondContact O-CB 3.36Å; H377-D380 PolarHBondContact O-N 2.92Å
378V92.3Very high92.1Very high91 Ų9145.5 Ų45.555%0.55225%0.245SC*.THydrogen-bonded Turntrans-60.2132.4170.1176.50000108.6I291 K294I291-V378 CarbonylContact O-C 3.53Å; I291-V378 WeakPolarHBondContact O-CA 3.47Å; K294-V378 HydrophobicContact CB-CG2 4.24Å
379G88.9Confident92Very high41 Ų4145.7 Ų45.742%0.42325%0.247SC..THydrogen-bonded Turntrans90.2-10-172.700000114.8I291 H377I291-G379 PolarHBondContact O-N 3.04Å; H377-G379 PolarHBondContact O-N 2.88Å
380D91.3Very high92Very high49 Ų4942 Ų4226%0.26223%0.227SC..  trans-69.2145.1171.5-75-26.3000110.7I291 L376 H377I291-D380 HydrophobicContact CD1-CB 4.25Å; I291-D380 PolarHBondContact N-O 3.3Å; L376-D380 WeakPolarHBondContact CA-OD2 3.42Å; H377-D380 PolarHBondContact N-OD2 3.23Å; H377-D380 IonicContact ND1-OD2 3.76Å; H377-D380 VanDerWaalsContact O-CB 3.3Å; H377-D380 WeakPolarHBondContact O-CB 3.36Å; H377-D380 PolarHBondContact O-N 2.92Å
381W92.3Very high91.9Very high21 Ų2139.7 Ų39.78%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-97133.6179.4-68.291000112.3T27 A30 S31 V38 F41 A288T27-W381 HydrophobicContact CG2-CB 4.27Å; T27-W381 HydrophobicContact CG2-CD2 3.82Å; T27-W381 HydrophobicContact CG2-CE3 4.17Å; T27-W381 HydrophobicContact CG2-CG 3.88Å; A30-W381 HydrophobicContact CB-CH2 4.33Å; A30-W381 HydrophobicContact CB-CZ2 3.62Å; S31-W381 PolarHBondContact OG-NE1 2.98Å; S31-W381 VanDerWaalsContact OG-NE1 3.08Å; V38-W381 HydrophobicContact CG1-CH2 3.34Å; V38-W381 HydrophobicContact CG1-CZ2 3.19Å; V38-W381 HydrophobicContact CG1-CZ3 4.43Å; F41-W381 AromaticContact CD1-CH2 3.94Å; F41-W381 HydrophobicContact CD1-CH2 3.94Å; F41-W381 AromaticContact CD1-CZ3 3.99Å; F41-W381 HydrophobicContact CD1-CZ3 3.99Å; F41-W381 HydrophobicContact CE1-CE3 4.37Å; F41-W381 AromaticContact CE1-CH2 3.6Å; F41-W381 HydrophobicContact CE1-CH2 3.6Å; F41-W381 HydrophobicContact CE1-CZ2 4.22Å; F41-W381 AromaticContact CE1-CZ3 3.7Å; F41-W381 HydrophobicContact CE1-CZ3 3.7Å; A288-W381 HydrophobicContact CB-CE3 3.73Å; A288-W381 HydrophobicContact CB-CZ3 4.06Å
382L93.8Very high91.4Very high1 Ų138.7 Ų38.71%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-105.9134.5167.4-62.6-178.5000109.6A288 V289 I291 L319 P339 L341 L356 L376 F384A288-L382 WeakPolarHBondContact CA-O 3.48Å; V289-L382 HydrophobicContact CG2-CB 3.96Å; V289-L382 PolarHBondContact N-O 2.89Å; V289-L382 PolarHBondContact O-N 2.92Å; I291-L382 HydrophobicContact CD1-CD1 4.45Å; I291-L382 HydrophobicContact CD1-CG 4.39Å; I291-L382 HydrophobicContact CG1-CD1 4.36Å; I291-L382 HydrophobicContact CG1-CG 4.36Å; L319-L382 HydrophobicContact CD2-CD1 3.79Å; P339-L382 HydrophobicContact CB-CD1 4.4Å; P339-L382 HydrophobicContact CB-CD2 4.32Å; L341-L382 HydrophobicContact CD2-CD2 3.55Å; L356-L382 HydrophobicContact CD1-CD1 3.92Å; L356-L382 HydrophobicContact CD2-CD1 3.85Å; L376-L382 HydrophobicContact CD1-CD2 3.78Å; L382-F384 HydrophobicContact CB-CE2 3.68Å; L382-F384 HydrophobicContact CB-CZ 4.28Å; L382-F384 HydrophobicContact CD1-CZ 4.46Å
383V94.4Very high90Very high5 Ų534.1 Ų34.13%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-108.8137.3179.8175.30000109.8L23 T286 V287 I340 Q342L23-V383 HydrophobicContact CD2-CB 4.36Å; L23-V383 HydrophobicContact CD2-CG1 3.57Å; L23-V383 HydrophobicContact CD2-CG2 3.79Å; T286-V383 HydrophobicContact CG2-CG1 3.29Å; V287-V383 CarbonylContact O-C 3.52Å; V287-V383 WeakPolarHBondContact O-CA 3.37Å; I340-V383 WeakPolarHBondContact CA-O 3.47Å; I340-V383 HydrophobicContact CB-CB 4.23Å; I340-V383 WeakPolarHBondContact CB-O 3.18Å; I340-V383 PolarHBondContact N-O 3.3Å; I340-V383 PolarHBondContact O-N 2.73Å; Q342-V383 HydrophobicContact CG-CG2 3.71Å
384F94.4Very high88.4Confident0 Ų038.2 Ų38.20%022%0.223CC..EExtended strand (participates in β ladder)trans-128.1115.4175.8-59.9-98.3000109.8T286 V287 V289 F327 P337 P339 L356 L382 M387T286-F384 WeakPolarHBondContact CA-O 3.33Å; V287-F384 HydrophobicContact CG1-CB 3.77Å; V287-F384 HydrophobicContact CG1-CD2 4.31Å; V287-F384 HydrophobicContact CG1-CG 4.47Å; V287-F384 PolarHBondContact N-O 3.01Å; V287-F384 PolarHBondContact O-N 3.16Å; V289-F384 HydrophobicContact CG2-CD2 3.95Å; V289-F384 HydrophobicContact CG2-CE2 3.43Å; V289-F384 VanDerWaalsContact CG2-CE2 3.43Å; F327-F384 HydrophobicContact CE1-CD1 4.01Å; F327-F384 AromaticContact CE1-CD2 3.99Å; F327-F384 HydrophobicContact CE1-CD2 3.99Å; F327-F384 HydrophobicContact CE1-CE1 4.08Å; F327-F384 HydrophobicContact CE1-CE2 4.12Å; F327-F384 AromaticContact CE1-CG 3.93Å; F327-F384 HydrophobicContact CE1-CG 3.93Å; F327-F384 HydrophobicContact CE1-CZ 4.13Å; F327-F384 AromaticContact CZ-CD2 3.78Å; F327-F384 HydrophobicContact CZ-CD2 3.78Å; F327-F384 HydrophobicContact CZ-CE1 4.4Å; F327-F384 AromaticContact CZ-CE2 3.69Å; F327-F384 HydrophobicContact CZ-CE2 3.69Å; F327-F384 HydrophobicContact CZ-CG 4.21Å; F327-F384 AromaticContact CZ-CZ 3.98Å; F327-F384 HydrophobicContact CZ-CZ 3.98Å; P337-F384 HydrophobicContact CB-CD1 3.83Å; P337-F384 HydrophobicContact CB-CE1 4.46Å; P337-F384 HydrophobicContact CG-CD1 4.06Å; P337-F384 HydrophobicContact CG-CE1 4.34Å; P339-F384 VanDerWaalsContact CA-CE1 3.49Å; P339-F384 HydrophobicContact CB-CD1 4.46Å; P339-F384 HydrophobicContact CB-CE1 3.7Å; P339-F384 HydrophobicContact CB-CE2 4.42Å; P339-F384 HydrophobicContact CB-CZ 3.68Å; P339-F384 HydrophobicContact CG-CE1 4.41Å; L356-F384 HydrophobicContact CD1-CZ 3.98Å; L382-F384 HydrophobicContact CB-CE2 3.68Å; L382-F384 HydrophobicContact CB-CZ 4.28Å; L382-F384 HydrophobicContact CD1-CZ 4.46Å; F384-M387 HydrophobicContact CB-CG 3.82Å; F384-M387 HydrophobicContact CB-SD 4.49Å; F384-M387 WeakPolarHBondContact O-CG 3.3Å
385D93.7Very high86.4Confident48 Ų4840.5 Ų40.526%0.25725%0.247SC..SBendtrans-80.1163.2175.9-73.5-27.1000110.7R20 T286 I340 M387R20-D385 IonicContact NH2-OD2 3.39Å; R20-D385 PolarHBondContact NH2-OD2 3.44Å; T286-D385 WeakPolarHBondContact CG2-OD1 3.41Å; T286-D385 PolarHBondContact OG1-OD1 2.86Å; I340-D385 HydrophobicContact CD1-CB 4.04Å; I340-D385 WeakPolarHBondContact CD1-OD2 3.44Å; D385-M387 VanDerWaalsContact C-N 3.35Å; D385-M387 PolarHBondContact O-N 3.42Å
386N93.6Very high84.1Confident77 Ų7737.8 Ų37.841%0.41224%0.239SC..SBendtrans65.930.2176.4-54.8-63000115.1T242 T282 S283 F285 G388T242-N386 HydrophobicContact CG2-CB 4.02Å; T242-N386 WeakPolarHBondContact CG2-OD1 3.38Å; T282-N386 HydrophobicContact CG2-CB 3.95Å; T282-N386 WeakPolarHBondContact CG2-O 3.47Å; T282-N386 CarbonylContact O-C 3.47Å; T282-N386 WeakPolarHBondContact O-CA 3.38Å; S283-N386 WeakPolarHBondContact CA-OD1 3.4Å; S283-N386 WeakPolarHBondContact CB-OD1 3.23Å; F285-N386 PolarHBondContact O-N 3.01Å; N386-G388 PolarHBondContact O-N 2.99Å
387M94.1Very high81.8Confident7 Ų743.1 Ų43.13%0.03427%0.274CS..  trans-99.933.1-172.7-68.2-63.9-71.400112.8F42 T282 F285 V287 I326 F327 P337 F384 D385 T391F42-M387 HydrophobicContact CE1-CB 4.06Å; F42-M387 WeakPolarHBondContact CE1-O 3.47Å; T282-M387 PolarHBondContact O-N 2.86Å; F285-M387 PolarHBondContact O-N 3.41Å; V287-M387 HydrophobicContact CG1-CB 4.09Å; V287-M387 HydrophobicContact CG1-CE 4.46Å; V287-M387 HydrophobicContact CG1-CG 3.86Å; I326-M387 HydrophobicContact CG2-CE 3.53Å; I326-M387 WeakPolarHBondContact O-CE 3.49Å; F327-M387 HydrophobicContact CD1-CE 3.8Å; F327-M387 HydrophobicContact CE1-CE 3.92Å; P337-M387 HydrophobicContact CB-SD 4.06Å; P337-M387 HydrophobicContact CG-SD 4.36Å; F384-M387 HydrophobicContact CB-CG 3.82Å; F384-M387 HydrophobicContact CB-SD 4.49Å; F384-M387 WeakPolarHBondContact O-CG 3.3Å; D385-M387 VanDerWaalsContact C-N 3.35Å; D385-M387 PolarHBondContact O-N 3.42Å; M387-T391 VanDerWaalsContact C-OG1 3.27Å; M387-T391 HydrophobicContact CE-CG2 3.75Å; M387-T391 WeakPolarHBondContact O-CB 3.41Å; M387-T391 PolarHBondContact O-OG1 3.26Å; M387-T391 HydrophobicContact SD-CG2 4.29Å
388G93.8Very high79.2Confident0 Ų046.4 Ų46.40%029%0.287CS..  trans-100.7-8.7-174.200000116.7N72 V281 T282 F285 N386N72-G388 WeakPolarHBondContact CB-O 3.38Å; N72-G388 PolarHBondContact ND2-O 3.05Å; V281-G388 VanDerWaalsContact CG2-O 3.26Å; V281-G388 WeakPolarHBondContact CG2-O 3.42Å; V281-G388 WeakPolarHBondContact O-CA 3.36Å; T282-G388 PolarHBondContact O-N 3.43Å; T282-G388 VanDerWaalsContact O-N 3.15Å; F285-G388 VanDerWaalsContact CB-CA 3.45Å; N386-G388 PolarHBondContact O-N 2.99Å
389A92.4Very high76.8Confident8 Ų845.2 Ų45.27%0.06629%0.293CS..SBendtrans-116.3124.8-176.500000111.5C71 R278 V281 T282 T391C71-A389 VanDerWaalsContact SG-CB 3.57Å; R278-A389 HydrophobicContact CB-CB 4.22Å; R278-A389 HydrophobicContact CG-CB 3.87Å; V281-A389 HydrophobicContact CG2-CB 4.12Å; T282-A389 VanDerWaalsContact OG1-CB 3.23Å; T282-A389 WeakPolarHBondContact OG1-CB 3.1Å; A389-T391 PolarHBondContact O-N 3.13Å
390Y89.3Confident74.5Confident51 Ų5147 Ų4720%0.231%0.312CS..SBendtrans60.322.4178.8-51.8-82.3000114.8K70 C71 R278 N328K70-Y390 HydrophobicContact CG-CE1 4.44Å; C71-Y390 HydrophobicContact CB-CE1 4.23Å; C71-Y390 HydrophobicContact CB-CE2 4.33Å; C71-Y390 PolarHBondContact O-N 3.48Å; C71-Y390 VanDerWaalsContact SG-CE2 3.58Å; R278-Y390 HydrophobicContact CG-CD2 4.14Å; R278-Y390 HydrophobicContact CG-CE2 3.51Å; R278-Y390 VanDerWaalsContact NE-CE2 3.26Å; N328-Y390 PolarHBondContact ND2-O 3.15Å; N328-Y390 PolarHBondContact OD1-O 3.24Å
391T87.4Confident72.4Confident6 Ų648 Ų484%0.03732%0.32CS..  trans-114.3-50.1-176.6460000110.6I326 M387 A389I326-T391 WeakPolarHBondContact O-CG2 3.46Å; M387-T391 VanDerWaalsContact C-OG1 3.27Å; M387-T391 HydrophobicContact CE-CG2 3.75Å; M387-T391 WeakPolarHBondContact O-CB 3.41Å; M387-T391 PolarHBondContact O-OG1 3.26Å; M387-T391 HydrophobicContact SD-CG2 4.29Å; A389-T391 PolarHBondContact O-N 3.13Å
392V80.2Confident70.6Confident13 Ų1354.8 Ų54.88%0.07935%0.352CS..THydrogen-bonded Turntrans-76.6134-175.3-175.20000111.1F42 S74 F285 M394 I406F42-V392 HydrophobicContact CD1-CG2 4.35Å; F42-V392 HydrophobicContact CD2-CG2 4.42Å; F42-V392 HydrophobicContact CE1-CG2 3.93Å; F42-V392 HydrophobicContact CE2-CG2 4.05Å; F42-V392 HydrophobicContact CZ-CG2 3.78Å; S74-V392 WeakPolarHBondContact OG-CG1 3.38Å; F285-V392 HydrophobicContact CD1-CG2 3.88Å; F285-V392 HydrophobicContact CE1-CG2 3.99Å; V392-M394 PolarHBondContact O-N 3.01Å; V392-I406 HydrophobicContact CG1-CD1 3.48Å; V392-I406 VanDerWaalsContact CG1-CD1 3.48Å; V392-I406 HydrophobicContact CG1-CG1 4.49Å
393G63Low69.2Low70 Ų7059.3 Ų59.372%0.72239%0.39SS*.THydrogen-bonded Turntrans73.51.617300000115.2G395G393-G395 PolarHBondContact O-N 2.95Å
394M56.3Low68.5Low99 Ų9960.5 Ų60.549%0.48840%0.398SS..  trans-85.422.9174.3-64.5-69.8-85.300112.2V392 S396V392-M394 PolarHBondContact O-N 3.01Å; M394-S396 PolarHBondContact O-N 3.29Å; M394-S396 VanDerWaalsContact O-N 3.14Å
395G48.9Very low68.3Low56 Ų5666.4 Ų66.458%0.57743%0.425SS*.  trans-57.3116.9-177.900000111.2G393G393-G395 PolarHBondContact O-N 2.95Å
396S41.8Very low68.2Low35 Ų3565.5 Ų65.525%0.24542%0.42CS..  trans-68.3142.4171.2-173.60000110Y324 M394 F398Y324-S396 WeakPolarHBondContact O-CB 3.35Å; M394-S396 PolarHBondContact O-N 3.29Å; M394-S396 VanDerWaalsContact O-N 3.14Å; S396-F398 PolarHBondContact O-N 2.78Å; S396-F398 VanDerWaalsContact O-N 3.09Å; S396-F398 WeakPolarHBondContact OG-CD2 3.33Å
397P43.5Very low68.2Low126 Ų12662.8 Ų62.882%0.81841%0.406SS*.SBendtrans-67.2-4.717327.5-33.5000113.3G399P397-G399 PolarHBondContact O-N 2.91Å
398F39.2Very low68.3Low171 Ų17164.1 Ų64.175%0.7541%0.411SS*.THydrogen-bonded Turntrans-74.5100.8172.9-74.8-82.4000109.9S396S396-F398 PolarHBondContact O-N 2.78Å; S396-F398 VanDerWaalsContact O-N 3.09Å; S396-F398 WeakPolarHBondContact OG-CD2 3.33Å
399G41.8Very low68.4Low65 Ų6564.1 Ų64.167%0.6741%0.411SS*.THydrogen-bonded Turntrans117.88.9166.100000117.2P397 T401P397-G399 PolarHBondContact O-N 2.91Å; G399-T401 PolarHBondContact O-N 3.03Å
400G39.1Very low68.5Low79 Ų7963.8 Ų63.881%0.81441%0.408SS*.  trans60.613.9171.800000115.2Q402G400-Q402 PolarHBondContact O-N 2.64Å
401T47.2Very low68.6Low71 Ų7163 Ų6344%0.43641%0.41SS..PPolyproline II helixtrans-67.2118.9-177.737.10000109.9G399G399-T401 PolarHBondContact O-N 3.03Å
402Q54.4Low68.8Low163 Ų16367.9 Ų67.976%0.76243%0.428SS*.PPolyproline II helixtrans-58.9141.5173.2-174.7168-18.600109.3G400 C404G400-Q402 PolarHBondContact O-N 2.64Å; Q402-C404 PolarHBondContact O-N 3.15Å
403A65.4Low69.2Low96 Ų9670.6 Ų70.679%0.79345%0.445SS*.PPolyproline II helixtrans-54.2119.6177.900000110H405A403-H405 PolarHBondContact O-N 2.88Å
404C80.1Confident70.6Confident29 Ų2967.6 Ų67.620%0.19641%0.413CS..PPolyproline II helixtrans-49.5127.3179.4-178.30000110.6A40 F41 F42 I326 Q402A40-C404 PolarHBondContact O-SG 2.77Å; F41-C404 WeakPolarHBondContact CA-SG 3.36Å; F42-C404 HydrophobicContact CD2-CB 4.12Å; F42-C404 WeakPolarHBondContact CD2-SG 3.4Å; F42-C404 HydrophobicContact CE2-CB 3.99Å; F42-C404 WeakPolarHBondContact CE2-SG 3.32Å; I326-C404 HydrophobicContact CD1-CB 4.01Å; Q402-C404 PolarHBondContact O-N 3.15Å
405H88.3Confident72.3Confident124 Ų12463.9 Ų63.957%0.57439%0.394SS*.EExtended strand (participates in β ladder)trans-65.5140.9-177.1179.974.6000110.5F41 F42 A403 T407F41-H405 CarbonylContact C-O 3.5Å; F41-H405 WeakPolarHBondContact CA-O 3.42Å; F41-H405 HydrophobicContact CB-CB 4.36Å; F42-H405 PolarHBondContact N-O 2.98Å; A403-H405 PolarHBondContact O-N 2.88Å; H405-T407 PolarHBondContact CD2-OG1 2.99Å; H405-T407 PolarHBondContact NE2-OG1 3.32Å
406I92.5Very high74.3Confident30 Ų3065.2 Ų65.215%0.15439%0.385CS..EExtended strand (participates in β ladder)trans-120.8116178.6-49.7172.3000108.6F42 A44 S74 F285 V392 Y408F42-I406 HydrophobicContact CB-CB 4.38Å; F42-I406 HydrophobicContact CB-CG1 4.19Å; F42-I406 HydrophobicContact CB-CG2 4.13Å; F42-I406 HydrophobicContact CD2-CG1 4.29Å; A44-I406 HydrophobicContact CB-CG2 3.94Å; S74-I406 WeakPolarHBondContact OG-CD1 3.49Å; F285-I406 HydrophobicContact CE1-CD1 4.44Å; F285-I406 HydrophobicContact CE1-CG2 3.91Å; V392-I406 HydrophobicContact CG1-CD1 3.48Å; V392-I406 VanDerWaalsContact CG1-CD1 3.48Å; V392-I406 HydrophobicContact CG1-CG1 4.49Å; I406-Y408 HydrophobicContact CG2-CD1 4.03Å; I406-Y408 HydrophobicContact CG2-CE1 3.62Å; I406-Y408 HydrophobicContact CG2-CE2 4.36Å
407T94.4Very high76.5Confident19 Ų1965 Ų6512%0.11739%0.385CS..EExtended strand (participates in β ladder)trans-93109.4169-53.20000109.1V11 L22 L26 F42 V43 A44 H405V11-T407 HydrophobicContact CG2-CG2 4.02Å; L22-T407 HydrophobicContact CD2-CG2 4.24Å; L26-T407 HydrophobicContact CD1-CG2 4.29Å; F42-T407 PolarHBondContact O-N 2.94Å; V43-T407 WeakPolarHBondContact CA-O 3.43Å; A44-T407 PolarHBondContact N-O 2.88Å; H405-T407 PolarHBondContact CD2-OG1 2.99Å; H405-T407 PolarHBondContact NE2-OG1 3.32Å
408Y95.9Very high78.7Confident35 Ų3559 Ų5914%0.13735%0.346CS..EExtended strand (participates in β ladder)trans-78.4137.3173.2-58.6-69.8000110.6F10 V11 A44 L46 S74 G76 I406F10-Y408 WeakPolarHBondContact CA-O 3.49Å; V11-Y408 PolarHBondContact N-O 3.05Å; A44-Y408 HydrophobicContact CB-CD1 3.73Å; A44-Y408 HydrophobicContact CB-CE1 4.18Å; L46-Y408 HydrophobicContact CD1-CD1 4.21Å; L46-Y408 HydrophobicContact CD1-CG 4.18Å; L46-Y408 HydrophobicContact CD2-CD1 3.73Å; L46-Y408 HydrophobicContact CD2-CE1 4.36Å; L46-Y408 HydrophobicContact CG-CD1 4.08Å; L46-Y408 HydrophobicContact CG-CG 4.44Å; S74-Y408 WeakPolarHBondContact CB-OH 3.4Å; G76-Y408 PolarHBondContact N-OH 3.34Å; I406-Y408 HydrophobicContact CG2-CD1 4.03Å; I406-Y408 HydrophobicContact CG2-CE1 3.62Å; I406-Y408 HydrophobicContact CG2-CE2 4.36Å
409A95.3Very high81Confident0 Ų056.8 Ų56.80%033%0.333CS..EExtended strand (participates in β ladder)trans-132.2146.8177.600000110.2V11 V13 T19 L22 A44 L46V11-A409 VanDerWaalsContact O-CA 3.29Å; V11-A409 WeakPolarHBondContact O-CA 3.45Å; V13-A409 HydrophobicContact CG2-CB 3.83Å; T19-A409 HydrophobicContact CG2-CB 3.81Å; L22-A409 HydrophobicContact CD2-CB 3.78Å; A44-A409 PolarHBondContact O-N 2.95Å; L46-A409 PolarHBondContact N-O 2.77Å
410M94.3Very high83Confident1 Ų161.7 Ų61.71%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-148.2139175.1-168-179.3-69.300109.8L5 F10 V11 M12 V13 L46 V80 A414 W415 L418L5-M410 HydrophobicContact CD2-CE 3.84Å; F10-M410 HydrophobicContact CD2-CB 3.52Å; F10-M410 HydrophobicContact CE1-CE 4.44Å; F10-M410 HydrophobicContact CE1-SD 4.47Å; F10-M410 HydrophobicContact CE2-CB 3.63Å; F10-M410 HydrophobicContact CE2-CG 4.4Å; F10-M410 HydrophobicContact CE2-SD 4.26Å; F10-M410 HydrophobicContact CG-CB 4.15Å; F10-M410 HydrophobicContact CZ-CB 4.35Å; F10-M410 HydrophobicContact CZ-SD 4.07Å; V11-M410 PolarHBondContact O-N 3.2Å; M12-M410 WeakPolarHBondContact CA-O 3.27Å; V13-M410 PolarHBondContact N-O 3.23Å; L46-M410 HydrophobicContact CB-CB 4.33Å; L46-M410 HydrophobicContact CB-CE 3.38Å; L46-M410 HydrophobicContact CD1-CE 4.01Å; L46-M410 HydrophobicContact CG-CE 4.36Å; V80-M410 HydrophobicContact CG2-CE 3.89Å; M410-A414 HydrophobicContact CG-CB 3.93Å; M410-W415 HydrophobicContact SD-CB 3.85Å; M410-W415 HydrophobicContact SD-CE3 3.92Å; M410-L418 HydrophobicContact CE-CD2 4.41Å
411S92.3Very high84.7Confident35 Ų3560.2 Ų60.225%0.24530%0.303CS..EExtended strand (participates in β ladder)trans-75.6152173.469.20000111.7V13 V413 A414 W415V13-S411 WeakPolarHBondContact O-CA 3.33Å; S411-V413 PolarHBondContact O-N 2.96Å; S411-A414 PolarHBondContact O-N 3.05Å; S411-A414 VanDerWaalsContact O-N 3.1Å; S411-A414 WeakPolarHBondContact OG-CB 3.46Å; S411-A414 PolarHBondContact OG-N 3.41Å; S411-W415 PolarHBondContact O-N 2.83Å
412R90.3Very high85.6Confident108 Ų10859 Ų5941%0.40829%0.294SS..Hα-helixtrans-52.8-42.6174.6-167.770.3141.3-152.6-12.8112.4M12 A414 W415 E416M12-R412 VanDerWaalsContact SD-CA 3.58Å; M12-R412 HydrophobicContact SD-CB 4.18Å; R412-A414 PolarHBondContact O-N 2.74Å; R412-W415 PolarHBondContact O-N 2.99Å; R412-E416 WeakPolarHBondContact O-CG 3.21Å; R412-E416 PolarHBondContact O-N 2.84Å
413V90.2Very high85.9Confident71 Ų7155.8 Ų55.843%0.4328%0.28SS..Hα-helixtrans-61.1-45178.6-1800000111.6S411 E416 A417S411-V413 PolarHBondContact O-N 2.96Å; V413-E416 PolarHBondContact O-N 2.78Å; V413-A417 WeakPolarHBondContact O-CB 3.49Å; V413-A417 PolarHBondContact O-N 2.83Å
414A91.7Very high85.7Confident7 Ų753.7 Ų53.76%0.05826%0.262CS..Hα-helixtrans-67.9-38.6178.400000111.8M410 S411 R412 A417 L418M410-A414 HydrophobicContact CG-CB 3.93Å; S411-A414 PolarHBondContact O-N 3.05Å; S411-A414 VanDerWaalsContact O-N 3.1Å; S411-A414 WeakPolarHBondContact OG-CB 3.46Å; S411-A414 PolarHBondContact OG-N 3.41Å; R412-A414 PolarHBondContact O-N 2.74Å; A414-A417 PolarHBondContact O-N 3.39Å; A414-L418 WeakPolarHBondContact O-CB 3.47Å; A414-L418 PolarHBondContact O-N 2.86Å
415W92Very high84.7Confident21 Ų2154.7 Ų54.78%0.0827%0.272CS..Hα-helixtrans-63.3-44.5175.8177.6-124.9000112.3L5 E7 F10 M12 M410 S411 R412 L418 R419L5-W415 HydrophobicContact CB-CZ3 4.46Å; L5-W415 HydrophobicContact CD2-CE3 4.5Å; L5-W415 HydrophobicContact CD2-CZ3 3.91Å; L5-W415 HydrophobicContact CG-CZ3 4.34Å; E7-W415 HydrophobicContact CG-CZ2 3.61Å; E7-W415 PolarHBondContact OE1-NE1 3.03Å; F10-W415 HydrophobicContact CE1-CE3 4.07Å; F10-W415 HydrophobicContact CE1-CZ3 4.11Å; F10-W415 AromaticContact CZ-CD2 3.82Å; F10-W415 HydrophobicContact CZ-CD2 3.82Å; F10-W415 AromaticContact CZ-CE3 3.69Å; F10-W415 HydrophobicContact CZ-CE3 3.69Å; F10-W415 HydrophobicContact CZ-CG 4.24Å; F10-W415 HydrophobicContact CZ-CZ3 4.15Å; M12-W415 HydrophobicContact CE-CB 4.1Å; M12-W415 HydrophobicContact CE-CG 3.93Å; M12-W415 HydrophobicContact SD-CB 4.39Å; M410-W415 HydrophobicContact SD-CB 3.85Å; M410-W415 HydrophobicContact SD-CE3 3.92Å; S411-W415 PolarHBondContact O-N 2.83Å; R412-W415 PolarHBondContact O-N 2.99Å; W415-L418 HydrophobicContact CE3-CD2 3.84Å; W415-L418 HydrophobicContact CZ3-CD2 3.75Å; W415-L418 WeakPolarHBondContact O-CB 3.38Å; W415-L418 PolarHBondContact O-N 2.84Å; W415-R419 HydrophobicContact CD2-CG 4.29Å; W415-R419 HydrophobicContact CH2-CG 4.42Å; W415-R419 HydrophobicContact CZ2-CG 4.09Å; W415-R419 WeakPolarHBondContact O-CG 3.32Å; W415-R419 PolarHBondContact O-N 3.37Å
416E90.1Very high83.1Confident83 Ų8353.2 Ų53.239%0.38827%0.266SS..Hα-helixtrans-63.8-41.2175.1-74.8-174.6-163.100112.4R412 V413 L418 R419 R420R412-E416 WeakPolarHBondContact O-CG 3.21Å; R412-E416 PolarHBondContact O-N 2.84Å; V413-E416 PolarHBondContact O-N 2.78Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.9Å; E416-R419 PolarHBondContact O-N 3.24Å; E416-R420 WeakPolarHBondContact O-CG 3.24Å; E416-R420 PolarHBondContact O-N 3.15Å; E416-R420 IonicContact OE2-NH2 3.76Å; E416-R420 PolarHBondContact OE2-NH2 3.16Å
417A89.1Confident80.9Confident30 Ų3058.7 Ų58.725%0.24829%0.291CS..Hα-helixtrans-59.7-43.917600000111.5F54 V413 A414 R419 R420 Q421F54-A417 HydrophobicContact CE2-CB 4.05Å; F54-A417 HydrophobicContact CZ-CB 4.47Å; V413-A417 WeakPolarHBondContact O-CB 3.49Å; V413-A417 PolarHBondContact O-N 2.83Å; A414-A417 PolarHBondContact O-N 3.39Å; A417-R419 PolarHBondContact O-N 2.88Å; A417-R420 PolarHBondContact O-N 2.85Å; A417-Q421 PolarHBondContact O-N 3.43Å
418L89.5Confident78.7Confident1 Ų163.8 Ų63.81%0.00531%0.313CS..Hα-helixtrans-60.2-43.7174.8-177.962.5000111.8L5 Q83 L84 M410 A414 W415 E416 Q421 L422L5-L418 HydrophobicContact CD2-CD2 3.98Å; Q83-L418 HydrophobicContact CB-CD1 4.02Å; Q83-L418 HydrophobicContact CB-CD2 4.35Å; Q83-L418 HydrophobicContact CB-CG 4.5Å; Q83-L418 HydrophobicContact CG-CD1 3.7Å; Q83-L418 HydrophobicContact CG-CD2 3.87Å; Q83-L418 HydrophobicContact CG-CG 3.79Å; L84-L418 HydrophobicContact CD2-CD1 3.31Å; L84-L418 HydrophobicContact CG-CD1 3.55Å; M410-L418 HydrophobicContact CE-CD2 4.41Å; A414-L418 WeakPolarHBondContact O-CB 3.47Å; A414-L418 PolarHBondContact O-N 2.86Å; W415-L418 HydrophobicContact CE3-CD2 3.84Å; W415-L418 HydrophobicContact CZ3-CD2 3.75Å; W415-L418 WeakPolarHBondContact O-CB 3.38Å; W415-L418 PolarHBondContact O-N 2.84Å; E416-L418 VanDerWaalsContact C-N 3.32Å; E416-L418 PolarHBondContact O-N 2.9Å; L418-Q421 PolarHBondContact O-N 2.77Å; L418-L422 PolarHBondContact O-N 2.83Å
419R87.1Confident76.3Confident124 Ų12467.9 Ų67.947%0.46834%0.338SS..Hα-helixtrans-67.5-36.9178.7-74.5-172.166-173.7-0.8113.6W415 E416 A417 Q421 L422 M423W415-R419 HydrophobicContact CD2-CG 4.29Å; W415-R419 HydrophobicContact CH2-CG 4.42Å; W415-R419 HydrophobicContact CZ2-CG 4.09Å; W415-R419 WeakPolarHBondContact O-CG 3.32Å; W415-R419 PolarHBondContact O-N 3.37Å; E416-R419 PolarHBondContact O-N 3.24Å; A417-R419 PolarHBondContact O-N 2.88Å; R419-Q421 VanDerWaalsContact C-N 3.34Å; R419-L422 WeakPolarHBondContact O-CB 3.17Å; R419-L422 PolarHBondContact O-N 2.89Å; R419-M423 WeakPolarHBondContact O-CG 3.47Å; R419-M423 PolarHBondContact O-N 3.01Å
420R83.4Confident73.6Confident169 Ų16975.3 Ų75.364%0.63838%0.377SS*.Hα-helixtrans-65.8-38.1178.2-71.8177.4-160.2175.58.8111.7E416 A417 L422 M423 A424E416-R420 WeakPolarHBondContact O-CG 3.24Å; E416-R420 PolarHBondContact O-N 3.15Å; E416-R420 IonicContact OE2-NH2 3.76Å; E416-R420 PolarHBondContact OE2-NH2 3.16Å; A417-R420 PolarHBondContact O-N 2.85Å; R420-L422 VanDerWaalsContact C-N 3.3Å; R420-L422 PolarHBondContact O-N 3.21Å; R420-M423 PolarHBondContact O-N 3.48Å; R420-A424 PolarHBondContact O-N 3.41Å; R420-A424 VanDerWaalsContact O-N 3.12Å
421Q74.2Confident71Confident48 Ų4878.1 Ų78.122%0.22440%0.401CS..Hα-helixtrans-62.3-37.5177.5-168.7-179.7-2.200112.2H53 L84 A417 L418 R419 A424 A425H53-Q421 PolarHBondContact NE2-NE2 2.93Å; L84-Q421 PolarHBondContact O-NE2 2.81Å; A417-Q421 PolarHBondContact O-N 3.43Å; L418-Q421 PolarHBondContact O-N 2.77Å; R419-Q421 VanDerWaalsContact C-N 3.34Å; Q421-A424 PolarHBondContact O-N 3.38Å; Q421-A425 PolarHBondContact O-N 2.83Å
422L66.5Low68.3Low46 Ų4684.8 Ų84.824%0.24143%0.428CS..Hα-helixtrans-61-46174.7-78.2153.9000112.6Q83 L418 R419 R420 A424 A425 E426Q83-L422 HydrophobicContact CG-CD1 3.88Å; L418-L422 PolarHBondContact O-N 2.83Å; R419-L422 WeakPolarHBondContact O-CB 3.17Å; R419-L422 PolarHBondContact O-N 2.89Å; R420-L422 VanDerWaalsContact C-N 3.3Å; R420-L422 PolarHBondContact O-N 3.21Å; L422-A424 VanDerWaalsContact C-N 3.25Å; L422-A424 PolarHBondContact O-N 3.1Å; L422-A425 PolarHBondContact O-N 2.94Å; L422-E426 WeakPolarHBondContact O-CG 3.44Å; L422-E426 PolarHBondContact O-N 3Å
423M61Low65.8Low95 Ų9583 Ų8347%0.46844%0.444SS..Hα-helixtrans-65.2-33.3-179.2-61.1-68.9149.500111.5R419 R420 Q427R419-M423 WeakPolarHBondContact O-CG 3.47Å; R419-M423 PolarHBondContact O-N 3.01Å; R420-M423 PolarHBondContact O-N 3.48Å; M423-Q427 WeakPolarHBondContact O-CG 3.2Å; M423-Q427 PolarHBondContact O-N 3.37Å
424A61.1Low62.9Low51 Ų5185.1 Ų85.142%0.42146%0.456SS..Hα-helixtrans-69.6-42174.100000112R420 Q421 L422 Q427 E428R420-A424 PolarHBondContact O-N 3.41Å; R420-A424 VanDerWaalsContact O-N 3.12Å; Q421-A424 PolarHBondContact O-N 3.38Å; L422-A424 VanDerWaalsContact C-N 3.25Å; L422-A424 PolarHBondContact O-N 3.1Å; A424-Q427 PolarHBondContact O-N 2.81Å; A424-E428 PolarHBondContact O-N 2.75Å
425A58.9Low60.1Low50 Ų5091.2 Ų91.241%0.41350%0.497SS..Hα-helixtrans-67-39.7177.900000112.7Q421 L422 Q427 E428 D429Q421-A425 PolarHBondContact O-N 2.83Å; L422-A425 PolarHBondContact O-N 2.94Å; A425-Q427 VanDerWaalsContact C-N 3.29Å; A425-Q427 PolarHBondContact O-N 3.11Å; A425-E428 PolarHBondContact O-N 2.85Å; A425-D429 PolarHBondContact O-N 3.23Å
426E55.5Low57Low94 Ų9498.7 Ų98.744%0.43953%0.53SS..Hα-helixtrans-65.1-32.3176.6-72.1-178.9158.200112.1L422 D430L422-E426 WeakPolarHBondContact O-CG 3.44Å; L422-E426 PolarHBondContact O-N 3Å; E426-D430 PolarHBondContact O-N 3.02Å
427Q46.4Very low54.4Low144 Ų144100.4 Ų100.467%0.67355%0.548SS*.Hα-helixtrans-74.3-27.3176-74.4175.93.500113.6M423 A424 A425 A431M423-Q427 WeakPolarHBondContact O-CG 3.2Å; M423-Q427 PolarHBondContact O-N 3.37Å; A424-Q427 PolarHBondContact O-N 2.81Å; A425-Q427 VanDerWaalsContact C-N 3.29Å; A425-Q427 PolarHBondContact O-N 3.11Å; Q427-A431 WeakPolarHBondContact O-CB 3.39Å
428E48.6Very low51.9Low126 Ų126107 Ų10759%0.58958%0.579SS**Hα-helixtrans-75.5-40.2174.4-77.2-176.6165.700112A424 A425 D430 A431 E432A424-E428 PolarHBondContact O-N 2.75Å; A425-E428 PolarHBondContact O-N 2.85Å; E428-D430 VanDerWaalsContact C-N 3.31Å; E428-D430 PolarHBondContact O-N 2.89Å; E428-A431 CarbonylContact O-C 3.37Å; E428-A431 PolarHBondContact O-N 3Å; E428-E432 PolarHBondContact O-N 2.8Å
429D44.6Very low49.2Very low122 Ų122112 Ų11265%0.65261%0.613SS**Hα-helixtrans-63.6-34.9176-91.6-1.8000112.1A425 A431A425-D429 PolarHBondContact O-N 3.23Å; D429-A431 PolarHBondContact O-N 3.38Å
430D39.3Very low46.9Very low155 Ų155112.7 Ų112.783%0.82964%0.636SS**THydrogen-bonded Turntrans-73.6-14.5174.1-80.2-18000113.1E426 E428E426-D430 PolarHBondContact O-N 3.02Å; E428-D430 VanDerWaalsContact C-N 3.31Å; E428-D430 PolarHBondContact O-N 2.89Å
431A39.3Very low44.3Very low61 Ų61108 Ų10850%0.50464%0.64SS.*THydrogen-bonded Turntrans-103.45.8-177.500000114.1Q427 E428 D429 G433Q427-A431 WeakPolarHBondContact O-CB 3.39Å; E428-A431 CarbonylContact O-C 3.37Å; E428-A431 PolarHBondContact O-N 3Å; D429-A431 PolarHBondContact O-N 3.38Å; A431-G433 PolarHBondContact O-N 3.39Å
432E36.3Very low42.4Very low174 Ų174115 Ų11581%0.81366%0.664SS**THydrogen-bonded Turntrans-65.567.7172.5-76.8-160.4147.500112.2E428E428-E432 PolarHBondContact O-N 2.8Å
433G36.1Very low40.7Very low71 Ų71122.4 Ų122.473%0.73270%0.698SS**THydrogen-bonded Turntrans-147.3-9.7169.400000112.9A431A431-G433 PolarHBondContact O-N 3.39Å
434V30Very low39.6Very low115 Ų115123.1 Ų123.170%0.69770%0.702SS**SBendtrans-141.1110178.5-176.20000110.7K436V434-K436 PolarHBondContact O-N 2.84Å
435C33.2Very low38.1Very low135 Ų135126 Ų12691%0.91271%0.714SS**  trans-63.1118.4173.8-156.20000110.4
436K27.9Very low36.9Very low179 Ų179131 Ų13178%0.77874%0.735SS**  trans-137.8144.5163.9-80.5-168.91801790110.8V434V434-K436 PolarHBondContact O-N 2.84Å
437P34.9Very low35.9Very low118 Ų118131.9 Ų131.977%0.76675%0.746SS**  trans-73.1143.2179.228.8-28.8000110.9S439P437-S439 PolarHBondContact O-N 3.29Å
438L36.8Very low35.6Very low169 Ų169130.7 Ų130.789%0.88574%0.744SS**  trans-59.8101.6172.4-73.5160.4000109.7
439S31.4Very low34.9Very low105 Ų105130.2 Ų130.273%0.73475%0.753SS**  trans-115.6111.8165.776.20000110.3P437P437-S439 PolarHBondContact O-N 3.29Å
440C39.3Very low34.3Very low139 Ų139131 Ų13194%0.93976%0.762SS**  trans14.7126.9156.7-55.30000120.4
441G28.1Very low34Very low70 Ų70126 Ų12672%0.72275%0.747SS**  trans-174.750.4161.400000112.6
442W35.9Very low33.7Very low196 Ų196128.2 Ų128.274%0.74276%0.756SS**  trans-109.285177.2-68.228.4000108.6F54 I444F54-W442 HydrophobicContact CD1-CZ3 4.48Å; W442-I444 HydrophobicContact CE3-CD1 4.37Å; W442-I444 PolarHBondContact O-N 2.96Å
443E30.4Very low33.4Very low201 Ų201126.4 Ų126.494%0.93976%0.757SS**  trans-86.194.9159.7-77.5-175.3168.600107.6
444I37Very low33.2Very low111 Ų111131.7 Ų131.757%0.56976%0.76SS**  trans-92.9119.7162.7-63.9172.9000105.7W442 D446W442-I444 HydrophobicContact CE3-CD1 4.37Å; W442-I444 PolarHBondContact O-N 2.96Å; I444-D446 PolarHBondContact O-N 2.88Å
445T29.7Very low33.2Very low110 Ų110131.9 Ų131.968%0.67576%0.762SS**  trans-50.1129.8171.643.30000110.5T447T445-T447 PolarHBondContact O-N 2.98Å
446D33.7Very low33.1Very low157 Ų157131.2 Ų131.284%0.8476%0.756SS**SBendtrans-56.322-175.7-83.7-39.4000117I444 L448I444-D446 PolarHBondContact O-N 2.88Å; D446-L448 PolarHBondContact O-N 3.13Å
447T36.1Very low33.2Very low111 Ų111127.4 Ų127.468%0.68176%0.758SS**THydrogen-bonded Turntrans-86-2.1-172.5-21.70000114.2T445T445-T447 PolarHBondContact O-N 2.98Å
448L39.5Very low33Very low120 Ų120127.4 Ų127.463%0.62876%0.76SS**THydrogen-bonded Turntrans-106.22.5-178.4-71.1171000114.8D446D446-L448 PolarHBondContact O-N 3.13Å
449C33.8Very low32.9Very low115 Ų115127.4 Ų127.478%0.77776%0.76SS**  trans-140.979.5176.4-62.50000111.2G451C449-G451 PolarHBondContact O-N 3.48Å
450V31Very low32.9Very low138 Ų138134.6 Ų134.684%0.83679%0.785SS**  trans-85.2100.8167.8-172.90000108.5
451G34.6Very low32.6Very low50 Ų50134.4 Ų134.452%0.51578%0.777SS.*  trans-73.9152.2165.300000111.3C449 V453C449-G451 PolarHBondContact O-N 3.48Å; G451-V453 PolarHBondContact O-N 3Å
452P31.6Very low32.9Very low108 Ų108137.7 Ų137.770%0.70178%0.78SS**  trans-69.5128.6176.427.9-31.8000110.5F454P452-F454 HydrophobicContact CB-CE2 4.3Å; P452-F454 HydrophobicContact CG-CD2 4.41Å; P452-F454 HydrophobicContact CG-CE2 3.86Å; P452-F454 PolarHBondContact O-N 3.05Å
453V29.8Very low32.7Very low137 Ų137134.5 Ų134.583%0.8378%0.782SS**  trans-72.2106.9172.3177.70000108.5G451G451-V453 PolarHBondContact O-N 3Å
454F31.8Very low32.8Very low181 Ų181130.6 Ų130.679%0.79477%0.773SS**  trans-88112.9166.8-77-83.1000109.5P452P452-F454 HydrophobicContact CB-CE2 4.3Å; P452-F454 HydrophobicContact CG-CD2 4.41Å; P452-F454 HydrophobicContact CG-CE2 3.86Å; P452-F454 PolarHBondContact O-N 3.05Å
455T30.1Very low32.6Very low120 Ų120131.8 Ų131.874%0.73679%0.785SS**  trans-75.5129.6164.442.60000109.8A457T455-A457 PolarHBondContact O-N 3.14Å
456P31.4Very low32.8Very low120 Ų120133.3 Ų133.378%0.77979%0.793SS**  trans-74.2126.21729.51.3000110.1S458P456-S458 PolarHBondContact O-N 2.77Å
457A30.4Very low32.7Very low100 Ų100131.6 Ų131.683%0.82679%0.789SS**  trans-69.5114.1164.400000108.6T455T455-A457 PolarHBondContact O-N 3.14Å
458S29.9Very low32.4Very low117 Ų117133.2 Ų133.282%0.81880%0.798SS**  trans-67.5130.4168.2-62.10000109.8P456 M460P456-S458 PolarHBondContact O-N 2.77Å; S458-M460 PolarHBondContact O-N 3.09Å
459I35.3Very low31.8Very low169 Ų169134.3 Ų134.387%0.86781%0.812SS**  trans-65.5123.6167-64.4165.1000108.2
460M32.4Very low31.7Very low256 Ų256136 Ų136100%1.26182%0.815SS**  trans-147.10141.1-142.3-174.1-75.100109.5S458S458-M460 PolarHBondContact O-N 3.09Å

Retrieved 460 of 460 residues in 783.3 ms (Link to these results)

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