A0A3Q0KV47_SCHMA Loading...

Translation initiation factor eIF2B subunit gamma

AlphaFold DB (A0A5K4EYV7), UniProt , Accession A0A3Q0KV47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 408 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
1M88.3Confident84.9Confident72 Ų7213.1 Ų13.136%0.3558%0.075SC..  01660-71173.678.700108.7Y104 F106 F123 L203M1-Y104 HydrophobicContact CE-CG 4.45Å; M1-F106 HydrophobicContact CE-CD2 3.97Å; M1-F106 HydrophobicContact CE-CE2 3.3Å; M1-F106 HydrophobicContact CE-CZ 3.96Å; M1-F106 HydrophobicContact SD-CE2 3.81Å; M1-F123 HydrophobicContact CE-CD2 3.67Å; M1-F123 HydrophobicContact CE-CE2 4.22Å; M1-F123 HydrophobicContact CE-CG 4.43Å; M1-F123 HydrophobicContact SD-CD2 4.26Å; M1-L203 HydrophobicContact CE-CD1 3.71Å
2Q94.5Very high84.5Confident7 Ų715.3 Ų15.33%0.0339%0.09CC..EExtended strand (participates in β ladder)trans-104.5151174-78.1179.2-43.300111D48 S99 T101 L105 F106Q2-D48 CarbonylContact C-O 3.56Å; Q2-D48 VanDerWaalsContact CA-O 3.24Å; Q2-D48 WeakPolarHBondContact CA-O 3.5Å; Q2-D48 HydrophobicContact CG-CB 3.94Å; Q2-D48 PolarHBondContact NE2-OD2 3.29Å; Q2-S99 PolarHBondContact NE2-O 3.04Å; Q2-T101 PolarHBondContact NE2-OG1 3.38Å; Q2-L105 HydrophobicContact CB-CD1 3.71Å; Q2-F106 PolarHBondContact O-N 2.92Å
3A95.6Very high84.6Confident0 Ų018.4 Ų18.40%010%0.103CC..EExtended strand (participates in β ladder)trans-130.2150.9169.200000112F41 I46 D48 I49 T50 F106A3-F41 HydrophobicContact CB-CD2 4.23Å; A3-F41 HydrophobicContact CB-CE1 4.15Å; A3-F41 HydrophobicContact CB-CE2 3.83Å; A3-F41 HydrophobicContact CB-CZ 3.79Å; A3-I46 HydrophobicContact CB-CD1 4.2Å; A3-I46 HydrophobicContact CB-CG2 3.92Å; A3-D48 PolarHBondContact N-O 3.23Å; A3-I49 HydrophobicContact CB-CG1 4.03Å; A3-I49 CarbonylContact O-C 3.55Å; A3-I49 WeakPolarHBondContact O-CA 3.34Å; A3-T50 PolarHBondContact O-N 3.45Å; A3-F106 CarbonylContact C-O 3.52Å; A3-F106 VanDerWaalsContact CA-O 3.28Å; A3-F106 WeakPolarHBondContact CA-O 3.28Å; A3-F106 HydrophobicContact CB-CB 3.98Å
4L94.9Very high84.7Confident1 Ų117.1 Ų17.11%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-122.8122.6177.917564.3000108.9I6 T50 V52 L93 I96 L105 F106 I107 T108L4-I6 HydrophobicContact CD2-CD1 4.13Å; L4-I6 HydrophobicContact CD2-CG1 4.06Å; L4-I6 HydrophobicContact CG-CG1 3.96Å; L4-T50 CarbonylContact C-O 3.53Å; L4-T50 WeakPolarHBondContact CA-O 3.32Å; L4-T50 HydrophobicContact CD1-CG2 4.23Å; L4-V52 HydrophobicContact CD1-CB 4.44Å; L4-V52 HydrophobicContact CD1-CG2 3.63Å; L4-L93 HydrophobicContact CD2-CD2 3.76Å; L4-I96 HydrophobicContact CD1-CD1 3.46Å; L4-I96 VanDerWaalsContact CD1-CD1 3.46Å; L4-I96 HydrophobicContact CD2-CD1 3.53Å; L4-I96 HydrophobicContact CG-CD1 4.08Å; L4-L105 HydrophobicContact CB-CD1 4.25Å; L4-L105 HydrophobicContact CB-CD2 4.3Å; L4-L105 HydrophobicContact CB-CG 4.39Å; L4-L105 HydrophobicContact CD2-CD2 4.45Å; L4-F106 PolarHBondContact N-O 2.91Å; L4-I107 HydrophobicContact CB-CG1 4.37Å; L4-I107 HydrophobicContact CD2-CG1 4.31Å; L4-I107 HydrophobicContact CD2-CG2 4.29Å; L4-I107 WeakPolarHBondContact O-CA 3.41Å; L4-T108 PolarHBondContact O-N 2.77Å
5I94.1Very high84.8Confident0 Ų019.1 Ų19.10%011%0.105CC..EExtended strand (participates in β ladder)trans-105.7123.9169.2-53.8-179.5000108L34 M38 F41 I49 T50 I51 V52 T108I5-L34 HydrophobicContact CD1-CD1 3.68Å; I5-M38 HydrophobicContact CD1-SD 4.33Å; I5-F41 HydrophobicContact CD1-CD2 4.43Å; I5-F41 HydrophobicContact CD1-CE2 3.83Å; I5-F41 HydrophobicContact CG1-CE2 3.81Å; I5-I49 HydrophobicContact CD1-CG2 4.17Å; I5-I49 HydrophobicContact CG1-CG2 4.28Å; I5-T50 PolarHBondContact N-O 2.81Å; I5-I51 HydrophobicContact CB-CG1 4.2Å; I5-I51 HydrophobicContact CD1-CD1 4.4Å; I5-I51 HydrophobicContact CD1-CG1 4.15Å; I5-I51 HydrophobicContact CG1-CG1 4.45Å; I5-I51 WeakPolarHBondContact O-CA 3.34Å; I5-V52 PolarHBondContact O-N 3.08Å; I5-T108 WeakPolarHBondContact CA-O 3.49Å; I5-T108 HydrophobicContact CB-CG2 4.37Å; I5-T108 HydrophobicContact CG1-CG2 3.86Å; I5-T108 HydrophobicContact CG2-CG2 4.42Å
6I91.2Very high85Confident2 Ų220.4 Ų20.41%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-102.3103179.1-54.6175.1000108.8L4 A9 L89 I107 T108 Y109 S110L4-I6 HydrophobicContact CD2-CD1 4.13Å; L4-I6 HydrophobicContact CD2-CG1 4.06Å; L4-I6 HydrophobicContact CG-CG1 3.96Å; I6-A9 HydrophobicContact CG2-CB 3.84Å; I6-L89 HydrophobicContact CD1-CD1 3.26Å; I6-I107 HydrophobicContact CD1-CG2 3.93Å; I6-T108 PolarHBondContact N-O 3.21Å; I6-Y109 HydrophobicContact CB-CD1 3.97Å; I6-Y109 HydrophobicContact CB-CE1 4.33Å; I6-Y109 HydrophobicContact CD1-CE1 4.14Å; I6-Y109 HydrophobicContact CG2-CD1 4.27Å; I6-Y109 HydrophobicContact CG2-CE1 4.41Å; I6-S110 PolarHBondContact O-N 3.01Å; I6-S110 VanDerWaalsContact O-N 3.09Å; I6-S110 PolarHBondContact O-OG 3.34Å
7C87.5Confident85.3Confident0 Ų019.2 Ų19.20%010%0.103CC..  trans-91.5-14172.9-52.20000113.1A9 E10 I51 V52 H53 Q57 S110C7-A9 PolarHBondContact O-N 2.89Å; C7-E10 WeakPolarHBondContact O-CG 3.42Å; C7-I51 VanDerWaalsContact SG-CG2 3.54Å; C7-V52 WeakPolarHBondContact CA-O 3.1Å; C7-V52 VanDerWaalsContact CB-O 3.32Å; C7-V52 WeakPolarHBondContact CB-O 3.42Å; C7-V52 PolarHBondContact N-O 2.89Å; C7-H53 HydrophobicContact CB-CB 4.22Å; C7-Q57 PolarHBondContact O-NE2 2.94Å; C7-S110 WeakPolarHBondContact CA-OG 3.22Å; C7-S110 VanDerWaalsContact SG-CB 3.6Å
8N75.3Confident85.4Confident8 Ų818.6 Ų18.64%0.04310%0.1CC..THydrogen-bonded Turntrans-78.81.9-179.3-168.138.2000113.5V52 N85 F86 Y87N8-V52 HydrophobicContact CB-CG1 4.23Å; N8-V52 PolarHBondContact N-O 3.39Å; N8-N85 PolarHBondContact ND2-O 3.38Å; N8-F86 WeakPolarHBondContact O-CD2 3.29Å; N8-Y87 PolarHBondContact ND2-N 3.17Å
9A65.1Low85.3Confident25 Ų2521.3 Ų21.321%0.20711%0.114CC..THydrogen-bonded Turntrans-128.133.5-175.700000112.7I6 C7 F86 Y109I6-A9 HydrophobicContact CG2-CB 3.84Å; C7-A9 PolarHBondContact O-N 2.89Å; A9-F86 HydrophobicContact CB-CE2 3.82Å; A9-Y109 HydrophobicContact CB-CD1 4.19Å; A9-Y109 HydrophobicContact CB-CE1 4.17Å
10E69.2Low84.8Confident11 Ų1124.1 Ų24.15%0.05113%0.126CC..  trans-72.9151.3174.5-66.2173.5174.700110C7 E15 S22 A23 S24 S110C7-E10 WeakPolarHBondContact O-CG 3.42Å; E10-E15 HydrophobicContact CB-CG 3.7Å; E10-S22 WeakPolarHBondContact OE2-CA 3.47Å; E10-A23 HydrophobicContact CB-CB 4.27Å; E10-A23 VanDerWaalsContact CD-N 3.3Å; E10-A23 HydrophobicContact CG-CB 3.86Å; E10-A23 PolarHBondContact OE1-N 3.46Å; E10-A23 VanDerWaalsContact OE2-CB 3.28Å; E10-A23 WeakPolarHBondContact OE2-CB 3.37Å; E10-A23 PolarHBondContact OE2-N 2.96Å; E10-S24 PolarHBondContact OE1-N 3.23Å; E10-S24 VanDerWaalsContact OE1-N 3.11Å; E10-S110 WeakPolarHBondContact CG-OG 3.16Å; E10-S110 VanDerWaalsContact OE1-CB 3.28Å; E10-S110 WeakPolarHBondContact OE1-CB 3.39Å; E10-S110 PolarHBondContact OE1-OG 3.49Å
11S77.9Confident84.4Confident18 Ų1823.5 Ų23.513%0.12613%0.126CC..  trans-63.8136.3171.957.50000109.1E13 L14 E15S11-E13 WeakPolarHBondContact CB-OE2 3.27Å; S11-E13 PolarHBondContact O-N 3.31Å; S11-E13 VanDerWaalsContact O-N 3.1Å; S11-L14 PolarHBondContact O-N 3.03Å; S11-L14 VanDerWaalsContact OG-CB 3.27Å; S11-L14 WeakPolarHBondContact OG-CB 3.48Å; S11-L14 WeakPolarHBondContact OG-CD1 3.45Å; S11-L14 WeakPolarHBondContact OG-CG 3.15Å; S11-L14 PolarHBondContact OG-N 3.4Å; S11-E15 PolarHBondContact O-N 3.29Å; S11-E15 VanDerWaalsContact O-N 3.15Å
12P80.8Confident84.1Confident39 Ų3920 Ų2025%0.25311%0.109SC..Hα-helixtrans-58.5-28.7-177.624.8-34000112.3Q16 P403P12-Q16 WeakPolarHBondContact O-CB 3.34Å; P12-Q16 WeakPolarHBondContact O-CG 3.09Å; P12-Q16 PolarHBondContact O-N 3.02Å; P12-Q16 VanDerWaalsContact O-N 3.09Å; P12-Q16 PolarHBondContact O-NE2 3.06Å; P12-Q16 VanDerWaalsContact O-NE2 3.14Å; P12-P403 HydrophobicContact CB-CB 4.41Å; P12-P403 HydrophobicContact CB-CG 4.27Å; P12-P403 HydrophobicContact CG-CG 4.1Å
13E84.6Confident83.7Confident56 Ų5619.8 Ų19.826%0.26211%0.108SC..Hα-helixtrans-67.7-42.6176.5-58.279.8-176.800111.7S11 Q16 L17 P283 F400S11-E13 WeakPolarHBondContact CB-OE2 3.27Å; S11-E13 PolarHBondContact O-N 3.31Å; S11-E13 VanDerWaalsContact O-N 3.1Å; E13-Q16 PolarHBondContact O-N 3.04Å; E13-L17 PolarHBondContact O-N 3.23Å; E13-P283 HydrophobicContact CB-CG 3.84Å; E13-F400 HydrophobicContact CB-CD1 4.22Å; E13-F400 HydrophobicContact CB-CE1 4.24Å; E13-F400 HydrophobicContact CG-CD1 4.48Å; E13-F400 VanDerWaalsContact O-CE1 3.26Å; E13-F400 WeakPolarHBondContact O-CE1 3.31Å
14L87.2Confident83.2Confident0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-68.1-39.3176.7-69.8172000111.9S11 Q16 L17 A23 L26 N111 F280 P283S11-L14 PolarHBondContact O-N 3.03Å; S11-L14 VanDerWaalsContact OG-CB 3.27Å; S11-L14 WeakPolarHBondContact OG-CB 3.48Å; S11-L14 WeakPolarHBondContact OG-CD1 3.45Å; S11-L14 WeakPolarHBondContact OG-CG 3.15Å; S11-L14 PolarHBondContact OG-N 3.4Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 2.87Å; L14-L17 HydrophobicContact CD2-CD1 4.01Å; L14-L17 WeakPolarHBondContact O-CB 3.39Å; L14-L17 PolarHBondContact O-N 3.23Å; L14-A23 HydrophobicContact CB-CB 3.86Å; L14-A23 HydrophobicContact CD1-CB 4.33Å; L14-L26 HydrophobicContact CD2-CD1 4.08Å; L14-N111 HydrophobicContact CD1-CB 3.97Å; L14-F280 HydrophobicContact CD1-CB 3.55Å; L14-F280 WeakPolarHBondContact CD1-O 3.42Å; L14-P283 HydrophobicContact CD2-CB 4.35Å; L14-P283 HydrophobicContact CD2-CG 4.07Å
15E85.7Confident83Confident48 Ų4820.4 Ų20.422%0.22411%0.111CC..Hα-helixtrans-59.6-47.5176.2-69.9-171.4168.700110.3E10 S11 L17 T18 G21E10-E15 HydrophobicContact CB-CG 3.7Å; S11-E15 PolarHBondContact O-N 3.29Å; S11-E15 VanDerWaalsContact O-N 3.15Å; E15-L17 PolarHBondContact O-N 2.86Å; E15-L17 VanDerWaalsContact O-N 3.08Å; E15-T18 PolarHBondContact O-N 3.2Å; E15-T18 PolarHBondContact O-OG1 3.1Å; E15-T18 VanDerWaalsContact O-OG1 3.12Å; E15-G21 WeakPolarHBondContact O-CA 3.45Å
16Q88.6Confident82.9Confident40 Ų4020.5 Ų20.519%0.18711%0.111CC..THydrogen-bonded Turntrans-66.4-8.5-178.8-73.3179.879.700114.5P12 E13 L14 T18 A382 A383 F400 T401P12-Q16 WeakPolarHBondContact O-CB 3.34Å; P12-Q16 WeakPolarHBondContact O-CG 3.09Å; P12-Q16 PolarHBondContact O-N 3.02Å; P12-Q16 VanDerWaalsContact O-N 3.09Å; P12-Q16 PolarHBondContact O-NE2 3.06Å; P12-Q16 VanDerWaalsContact O-NE2 3.14Å; E13-Q16 PolarHBondContact O-N 3.04Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 2.87Å; Q16-T18 VanDerWaalsContact C-N 3.26Å; Q16-A382 HydrophobicContact CB-CB 4.45Å; Q16-A383 WeakPolarHBondContact O-CB 3.36Å; Q16-A383 PolarHBondContact O-N 3.08Å; Q16-F400 HydrophobicContact CB-CD1 3.75Å; Q16-F400 HydrophobicContact CB-CE1 3.98Å; Q16-T401 PolarHBondContact NE2-O 3.29Å; Q16-T401 PolarHBondContact OE1-OG1 2.99Å
17L89.2Confident83Confident0 Ų021.5 Ų21.50%012%0.118CC..THydrogen-bonded Turntrans-71.2-23.6168.4-63.2176.1000112.6E13 L14 E15 L26 P283 L348 V363 G365 E366 F400E13-L17 PolarHBondContact O-N 3.23Å; L14-L17 HydrophobicContact CD2-CD1 4.01Å; L14-L17 WeakPolarHBondContact O-CB 3.39Å; L14-L17 PolarHBondContact O-N 3.23Å; E15-L17 PolarHBondContact O-N 2.86Å; E15-L17 VanDerWaalsContact O-N 3.08Å; L17-L26 HydrophobicContact CB-CD2 4.44Å; L17-L26 HydrophobicContact CD1-CD1 4.35Å; L17-L26 HydrophobicContact CD1-CD2 4.44Å; L17-P283 HydrophobicContact CD1-CB 3.99Å; L17-P283 HydrophobicContact CD1-CG 4.12Å; L17-P283 HydrophobicContact CD2-CB 4.45Å; L17-P283 HydrophobicContact CD2-CG 4.47Å; L17-P283 HydrophobicContact CG-CG 4.41Å; L17-L348 HydrophobicContact CB-CD1 3.94Å; L17-L348 WeakPolarHBondContact O-CD1 2.98Å; L17-V363 HydrophobicContact CD1-CG1 3.8Å; L17-V363 HydrophobicContact CD2-CG1 3.82Å; L17-V363 HydrophobicContact CG-CG1 4.43Å; L17-G365 CarbonylContact O-C 3.55Å; L17-G365 WeakPolarHBondContact O-CA 3.41Å; L17-E366 PolarHBondContact O-N 2.77Å; L17-F400 HydrophobicContact CD2-CE1 4.2Å; L17-F400 HydrophobicContact CD2-CZ 3.94Å
18T87.4Confident83.2Confident7 Ų721.5 Ų21.54%0.04312%0.118CC..SBendtrans-117.8147.9-17864.60000110.3E15 Q16 Q20 G21 S22 L26 L348 E366E15-T18 PolarHBondContact O-N 3.2Å; E15-T18 PolarHBondContact O-OG1 3.1Å; E15-T18 VanDerWaalsContact O-OG1 3.12Å; Q16-T18 VanDerWaalsContact C-N 3.26Å; T18-Q20 PolarHBondContact O-N 2.55Å; T18-G21 PolarHBondContact O-N 3.41Å; T18-G21 WeakPolarHBondContact OG1-CA 3.42Å; T18-G21 PolarHBondContact OG1-N 3.41Å; T18-G21 VanDerWaalsContact OG1-N 3.12Å; T18-S22 PolarHBondContact OG1-N 3.04Å; T18-L26 HydrophobicContact CG2-CD2 3.72Å; T18-L348 HydrophobicContact CG2-CD1 4.16Å; T18-E366 HydrophobicContact CG2-CG 4.46Å
19I82.5Confident83.8Confident70 Ų7021.3 Ų21.336%0.35912%0.118SC..THydrogen-bonded Turntrans-66.6-30.4-175.9-62171.7000111.8E366 K367 A383 I384I19-E366 HydrophobicContact CD1-CB 4.26Å; I19-E366 HydrophobicContact CG1-CB 4.06Å; I19-E366 PolarHBondContact N-OE2 3.25Å; I19-K367 HydrophobicContact CD1-CB 4.29Å; I19-K367 HydrophobicContact CD1-CD 3.39Å; I19-K367 HydrophobicContact CD1-CG 3.76Å; I19-A383 HydrophobicContact CG1-CB 4.04Å; I19-I384 HydrophobicContact CD1-CD1 4.24Å; I19-I384 HydrophobicContact CD1-CG1 4.16Å; I19-I384 HydrophobicContact CG1-CD1 3.98Å; I19-I384 HydrophobicContact CG1-CG1 4.02Å; I19-I384 HydrophobicContact CG2-CD1 4.27Å
20Q76.7Confident84.9Confident77 Ų7726.7 Ų26.736%0.3614%0.144SC..THydrogen-bonded Turntrans-102.27.3-177.3-68.2177.8-4500113T18 R60T18-Q20 PolarHBondContact O-N 2.55Å; Q20-R60 VanDerWaalsContact OE1-CG 3.26Å
21G76.3Confident85.9Confident12 Ų1228.7 Ų28.712%0.12415%0.153CC..  trans65.247.9171.400000114.7E15 T18 Q57E15-G21 WeakPolarHBondContact O-CA 3.45Å; T18-G21 PolarHBondContact O-N 3.41Å; T18-G21 WeakPolarHBondContact OG1-CA 3.42Å; T18-G21 PolarHBondContact OG1-N 3.41Å; T18-G21 VanDerWaalsContact OG1-N 3.12Å; G21-Q57 WeakPolarHBondContact O-CG 3.11Å; G21-Q57 PolarHBondContact O-NE2 3.42Å
22S81.6Confident86.6Confident0 Ų029 Ų290%015%0.154CC..  trans-130101.7176.2-161.70000113.3E10 T18 S24 L25E10-S22 WeakPolarHBondContact OE2-CA 3.47Å; T18-S22 PolarHBondContact OG1-N 3.04Å; S22-S24 PolarHBondContact O-N 3.11Å; S22-S24 PolarHBondContact OG-OG 3.19Å; S22-L25 PolarHBondContact O-N 2.85Å
23A85.5Confident87.2Confident1 Ų127.1 Ų27.11%0.00814%0.142CC..G310 helixtrans-61.2-31.2169.500000111.7E10 L14 L25 L26 N111E10-A23 HydrophobicContact CB-CB 4.27Å; E10-A23 VanDerWaalsContact CD-N 3.3Å; E10-A23 HydrophobicContact CG-CB 3.86Å; E10-A23 PolarHBondContact OE1-N 3.46Å; E10-A23 VanDerWaalsContact OE2-CB 3.28Å; E10-A23 WeakPolarHBondContact OE2-CB 3.37Å; E10-A23 PolarHBondContact OE2-N 2.96Å; L14-A23 HydrophobicContact CB-CB 3.86Å; L14-A23 HydrophobicContact CD1-CB 4.33Å; A23-L25 PolarHBondContact O-N 2.81Å; A23-L25 VanDerWaalsContact O-N 3.09Å; A23-L26 HydrophobicContact CB-CD1 3.98Å; A23-L26 VanDerWaalsContact O-CB 3.3Å; A23-L26 WeakPolarHBondContact O-CB 3.06Å; A23-L26 WeakPolarHBondContact O-CG 3.34Å; A23-L26 PolarHBondContact O-N 3Å; A23-N111 HydrophobicContact CB-CB 4.45Å
24S86.6Confident87.6Confident0 Ų024.4 Ų24.40%013%0.129CC..G310 helixtrans-53.5-30.9176.681.50000113.9E10 S22 L34E10-S24 PolarHBondContact OE1-N 3.23Å; E10-S24 VanDerWaalsContact OE1-N 3.11Å; S22-S24 PolarHBondContact O-N 3.11Å; S22-S24 PolarHBondContact OG-OG 3.19Å; S24-L34 WeakPolarHBondContact O-CB 3.29Å; S24-L34 PolarHBondContact O-N 2.87Å
25L90.6Very high87.9Confident15 Ų1525.5 Ų25.58%0.07914%0.138CC..G310 helixtrans-10310.5-177.2-61.7179.2000112.8S22 A23 L34 R60 L61 Y64S22-L25 PolarHBondContact O-N 2.85Å; A23-L25 PolarHBondContact O-N 2.81Å; A23-L25 VanDerWaalsContact O-N 3.09Å; L25-L34 HydrophobicContact CD2-CB 4.39Å; L25-L34 HydrophobicContact CD2-CD2 4.08Å; L25-R60 HydrophobicContact CD1-CB 4.37Å; L25-R60 HydrophobicContact CD1-CG 3.51Å; L25-L61 HydrophobicContact CD1-CD2 4.33Å; L25-L61 HydrophobicContact CG-CD2 4.4Å; L25-Y64 HydrophobicContact CD2-CD1 3.75Å; L25-Y64 HydrophobicContact CD2-CD2 3.65Å; L25-Y64 HydrophobicContact CD2-CE1 4.04Å; L25-Y64 HydrophobicContact CD2-CE2 3.94Å; L25-Y64 HydrophobicContact CD2-CG 3.55Å
26L92.2Very high88.2Confident1 Ų125.3 Ų25.31%0.00514%0.135CC..SBendtrans-62.6138.8170.9-72.5170.7000109.8L14 L17 T18 A23 T32 V33 Y286 L348L14-L26 HydrophobicContact CD2-CD1 4.08Å; L17-L26 HydrophobicContact CB-CD2 4.44Å; L17-L26 HydrophobicContact CD1-CD1 4.35Å; L17-L26 HydrophobicContact CD1-CD2 4.44Å; T18-L26 HydrophobicContact CG2-CD2 3.72Å; A23-L26 HydrophobicContact CB-CD1 3.98Å; A23-L26 VanDerWaalsContact O-CB 3.3Å; A23-L26 WeakPolarHBondContact O-CB 3.06Å; A23-L26 WeakPolarHBondContact O-CG 3.34Å; A23-L26 PolarHBondContact O-N 3Å; L26-T32 WeakPolarHBondContact O-CA 3.3Å; L26-V33 HydrophobicContact CB-CG2 4.37Å; L26-V33 PolarHBondContact O-N 3.05Å; L26-V33 VanDerWaalsContact O-N 3.12Å; L26-Y286 HydrophobicContact CB-CE2 3.87Å; L26-Y286 HydrophobicContact CD1-CD2 4.46Å; L26-Y286 HydrophobicContact CD1-CE1 4.46Å; L26-Y286 HydrophobicContact CD1-CE2 4.38Å; L26-L348 HydrophobicContact CD2-CD1 3.72Å; L26-L348 HydrophobicContact CD2-CD2 4.07Å
27P92.5Very high88.4Confident23 Ų2323.6 Ų23.615%0.14913%0.128CC..EExtended strand (participates in β ladder)trans-68.7140.5179.126-31.6000110.9E31 Y286 F329 L348P27-E31 CarbonylContact C-O 3.54Å; P27-E31 WeakPolarHBondContact CA-O 3.23Å; P27-Y286 VanDerWaalsContact CD-OH 3.3Å; P27-Y286 WeakPolarHBondContact CD-OH 3.43Å; P27-Y286 WeakPolarHBondContact CG-OH 3.39Å; P27-Y286 VanDerWaalsContact O-CE2 3.24Å; P27-Y286 WeakPolarHBondContact O-CE2 3.3Å; P27-Y286 PolarHBondContact O-OH 3.12Å; P27-F329 HydrophobicContact CB-CD1 4.34Å; P27-F329 HydrophobicContact CB-CE1 3.58Å; P27-F329 HydrophobicContact CB-CE2 3.78Å; P27-F329 HydrophobicContact CB-CZ 3.25Å; P27-F329 HydrophobicContact CG-CD1 3.98Å; P27-F329 HydrophobicContact CG-CE1 3.36Å; P27-F329 HydrophobicContact CG-CE2 4.44Å; P27-F329 HydrophobicContact CG-CZ 3.65Å; P27-L348 HydrophobicContact CG-CD2 3.63Å
28L91.6Very high88.6Confident0 Ų023.7 Ų23.70%013%0.128CC..EExtended strand (participates in β ladder)trans-137.797.4180-168.277000107.7N30 E31 V33 R36 V113 F280 T289 N290 I293L28-N30 PolarHBondContact O-N 2.8Å; L28-E31 PolarHBondContact N-O 3.44Å; L28-E31 VanDerWaalsContact O-CG 3.27Å; L28-E31 WeakPolarHBondContact O-CG 3.28Å; L28-E31 PolarHBondContact O-N 2.83Å; L28-E31 VanDerWaalsContact O-N 3.14Å; L28-V33 HydrophobicContact CB-CG2 4.39Å; L28-R36 HydrophobicContact CD2-CB 4.36Å; L28-V113 HydrophobicContact CD1-CG2 4.02Å; L28-V113 HydrophobicContact CD2-CB 4.34Å; L28-V113 HydrophobicContact CD2-CG1 3.78Å; L28-V113 HydrophobicContact CD2-CG2 3.54Å; L28-V113 HydrophobicContact CG-CG2 4.43Å; L28-F280 HydrophobicContact CD1-CZ 4.21Å; L28-T289 HydrophobicContact CD1-CG2 4.21Å; L28-N290 WeakPolarHBondContact CA-OD1 3.42Å; L28-I293 HydrophobicContact CD1-CD1 3.39Å; L28-I293 HydrophobicContact CD2-CD1 3.7Å; L28-I293 HydrophobicContact CG-CD1 3.45Å; L28-I293 VanDerWaalsContact CG-CD1 3.45Å
29G88.9Confident88.8Confident5 Ų525.2 Ų25.25%0.05214%0.139CC..THydrogen-bonded Turntrans60.3-120-168.400000111N290 I312 F329G29-N290 PolarHBondContact N-OD1 3.01Å; G29-I312 WeakPolarHBondContact O-CD1 3Å; G29-F329 WeakPolarHBondContact O-CE2 3.47Å
30N87.3Confident89.3Confident137 Ų13722.2 Ų22.273%0.73312%0.124SC*.THydrogen-bonded Turntrans-96.66.5179.4-72.7-32000113.8L28 I312L28-N30 PolarHBondContact O-N 2.8Å; N30-I312 WeakPolarHBondContact OD1-CD1 3.43Å
31E90.7Very high90.1Very high54 Ų5418.7 Ų18.725%0.25211%0.107SC..EExtended strand (participates in β ladder)trans-132.6-170.2-177.967-175.5157.200110.3P27 L28 A35 R36P27-E31 CarbonylContact C-O 3.54Å; P27-E31 WeakPolarHBondContact CA-O 3.23Å; L28-E31 PolarHBondContact N-O 3.44Å; L28-E31 VanDerWaalsContact O-CG 3.27Å; L28-E31 WeakPolarHBondContact O-CG 3.28Å; L28-E31 PolarHBondContact O-N 2.83Å; L28-E31 VanDerWaalsContact O-N 3.14Å; E31-A35 HydrophobicContact CB-CB 3.93Å; E31-A35 HydrophobicContact CG-CB 4.46Å; E31-R36 IonicContact OE1-CZ 2.77Å; E31-R36 IonicContact OE1-NE 3.29Å; E31-R36 PolarHBondContact OE1-NE 3.15Å; E31-R36 IonicContact OE1-NH2 3.28Å; E31-R36 PolarHBondContact OE1-NH2 2.97Å; E31-R36 IonicContact OE2-NE 2.72Å
32T92.5Very high90.9Very high23 Ų2320 Ų2014%0.14111%0.111CC..EExtended strand (participates in β ladder)trans-108.2164.2171.7640000110.9L26 L34 A35 R36 Y64L26-T32 WeakPolarHBondContact O-CA 3.3Å; T32-L34 PolarHBondContact O-N 2.71Å; T32-A35 WeakPolarHBondContact O-CB 3.43Å; T32-A35 PolarHBondContact O-N 3.42Å; T32-A35 VanDerWaalsContact O-N 3.15Å; T32-A35 WeakPolarHBondContact OG1-CB 3.39Å; T32-A35 PolarHBondContact OG1-N 3.47Å; T32-R36 PolarHBondContact O-N 3.04Å; T32-R36 VanDerWaalsContact O-N 3.09Å; T32-Y64 HydrophobicContact CG2-CE2 4.2Å; T32-Y64 PolarHBondContact OG1-OH 3.27Å; T32-Y64 VanDerWaalsContact OG1-OH 3.06Å
33V92.9Very high91.4Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-55.3-43.7173.1-177.90000111L26 L28 R36 L37 S110 T112 V113 F280L26-V33 HydrophobicContact CB-CG2 4.37Å; L26-V33 PolarHBondContact O-N 3.05Å; L26-V33 VanDerWaalsContact O-N 3.12Å; L28-V33 HydrophobicContact CB-CG2 4.39Å; V33-R36 PolarHBondContact O-N 2.71Å; V33-L37 PolarHBondContact O-N 3.38Å; V33-L37 VanDerWaalsContact O-N 3.14Å; V33-S110 WeakPolarHBondContact CG1-O 3.13Å; V33-T112 WeakPolarHBondContact CG1-O 3.22Å; V33-V113 HydrophobicContact CG1-CG2 3.88Å; V33-V113 HydrophobicContact CG2-CG2 4.2Å; V33-F280 HydrophobicContact CG2-CE2 3.96Å
34L93.2Very high91.7Very high0 Ų028.1 Ų28.10%016%0.156CC..Hα-helixtrans-64.4-41.4176.4-175.160.6000112.5I5 S24 L25 T32 R36 L37 M38 I51 L61 Y64I5-L34 HydrophobicContact CD1-CD1 3.68Å; S24-L34 WeakPolarHBondContact O-CB 3.29Å; S24-L34 PolarHBondContact O-N 2.87Å; L25-L34 HydrophobicContact CD2-CB 4.39Å; L25-L34 HydrophobicContact CD2-CD2 4.08Å; T32-L34 PolarHBondContact O-N 2.71Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.19Å; L34-L37 PolarHBondContact O-N 3.07Å; L34-M38 HydrophobicContact CD1-CG 4.18Å; L34-M38 HydrophobicContact CG-CG 4.24Å; L34-M38 WeakPolarHBondContact O-CB 3.27Å; L34-M38 WeakPolarHBondContact O-CG 3.37Å; L34-M38 PolarHBondContact O-N 3.44Å; L34-I51 HydrophobicContact CD1-CD1 4.32Å; L34-L61 HydrophobicContact CD2-CD2 4.07Å; L34-Y64 HydrophobicContact CD2-CD1 3.87Å; L34-Y64 HydrophobicContact CD2-CE1 3.75Å; L34-Y64 HydrophobicContact CG-CE1 4.19Å
35A92.9Very high91.9Very high23 Ų2334.5 Ų34.519%0.1919%0.186CC..Hα-helixtrans-57.4-45.2176.300000111.5E31 T32 L37 M38 S39 Y64E31-A35 HydrophobicContact CB-CB 3.93Å; E31-A35 HydrophobicContact CG-CB 4.46Å; T32-A35 WeakPolarHBondContact O-CB 3.43Å; T32-A35 PolarHBondContact O-N 3.42Å; T32-A35 VanDerWaalsContact O-N 3.15Å; T32-A35 WeakPolarHBondContact OG1-CB 3.39Å; T32-A35 PolarHBondContact OG1-N 3.47Å; A35-L37 PolarHBondContact O-N 2.95Å; A35-M38 PolarHBondContact O-N 2.88Å; A35-S39 PolarHBondContact O-N 3Å; A35-Y64 WeakPolarHBondContact CB-OH 3.33Å
36R92.8Very high92Very high43 Ų4334 Ų3416%0.16218%0.183CC..Hα-helixtrans-59.8-48.4177.5177.558.865.4153.93.2111.1L28 E31 T32 V33 L34 M38 S39 I40L28-R36 HydrophobicContact CD2-CB 4.36Å; E31-R36 IonicContact OE1-CZ 2.77Å; E31-R36 IonicContact OE1-NE 3.29Å; E31-R36 PolarHBondContact OE1-NE 3.15Å; E31-R36 IonicContact OE1-NH2 3.28Å; E31-R36 PolarHBondContact OE1-NH2 2.97Å; E31-R36 IonicContact OE2-NE 2.72Å; T32-R36 PolarHBondContact O-N 3.04Å; T32-R36 VanDerWaalsContact O-N 3.09Å; V33-R36 PolarHBondContact O-N 2.71Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 3.19Å; R36-M38 PolarHBondContact O-N 2.87Å; R36-S39 PolarHBondContact O-N 2.79Å; R36-S39 PolarHBondContact O-OG 3.04Å; R36-I40 PolarHBondContact O-N 2.72Å
37L93Very high92Very high4 Ų436.2 Ų36.22%0.02120%0.198CC..Hα-helixtrans-60.6-44.5176.9-70.7173.8000112.1V33 L34 A35 S39 I40 F41 T108V33-L37 PolarHBondContact O-N 3.38Å; V33-L37 VanDerWaalsContact O-N 3.14Å; L34-L37 PolarHBondContact O-N 3.07Å; A35-L37 PolarHBondContact O-N 2.95Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.14Å; L37-I40 WeakPolarHBondContact O-CB 3.36Å; L37-I40 PolarHBondContact O-N 2.94Å; L37-F41 WeakPolarHBondContact O-CG 3.33Å; L37-F41 PolarHBondContact O-N 3.4Å; L37-F41 VanDerWaalsContact O-N 3.15Å; L37-T108 HydrophobicContact CD1-CG2 4.24Å; L37-T108 HydrophobicContact CD2-CG2 4.32Å
38M92.8Very high92.1Very high2 Ų236.5 Ų36.51%0.0120%0.199CC..Hα-helixtrans-62.1-39.4177.9-68.8-65-78.400111.4I5 L34 A35 R36 I40 F41 I42 I49 W72 M76 V78I5-M38 HydrophobicContact CD1-SD 4.33Å; L34-M38 HydrophobicContact CD1-CG 4.18Å; L34-M38 HydrophobicContact CG-CG 4.24Å; L34-M38 WeakPolarHBondContact O-CB 3.27Å; L34-M38 WeakPolarHBondContact O-CG 3.37Å; L34-M38 PolarHBondContact O-N 3.44Å; A35-M38 PolarHBondContact O-N 2.88Å; R36-M38 PolarHBondContact O-N 2.87Å; M38-I40 VanDerWaalsContact C-N 3.32Å; M38-I40 PolarHBondContact O-N 2.84Å; M38-F41 PolarHBondContact O-N 2.87Å; M38-I42 WeakPolarHBondContact O-CB 3.4Å; M38-I42 WeakPolarHBondContact O-CD1 3.38Å; M38-I42 WeakPolarHBondContact O-CG1 3.11Å; M38-I42 PolarHBondContact O-N 3.05Å; M38-I49 HydrophobicContact CE-CD1 4.33Å; M38-I49 HydrophobicContact SD-CD1 4.14Å; M38-W72 HydrophobicContact CE-CD2 4.05Å; M38-W72 HydrophobicContact CE-CE3 4.12Å; M38-W72 HydrophobicContact CE-CH2 3.92Å; M38-W72 HydrophobicContact CE-CZ2 3.78Å; M38-W72 HydrophobicContact CE-CZ3 4.07Å; M38-M76 HydrophobicContact CE-CE 3.34Å; M38-M76 HydrophobicContact CE-SD 4.39Å; M38-M76 HydrophobicContact SD-CE 4.07Å; M38-V78 HydrophobicContact CE-CG2 3.69Å
39S92.1Very high92.3Very high39 Ų3936.5 Ų36.527%0.27320%0.199SC..Hα-helixtrans-59.8-41.3176.179.50000112.2A35 R36 L37 F41 I42 L43A35-S39 PolarHBondContact O-N 3Å; R36-S39 PolarHBondContact O-N 2.79Å; R36-S39 PolarHBondContact O-OG 3.04Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.14Å; S39-F41 VanDerWaalsContact C-N 3.35Å; S39-F41 PolarHBondContact O-N 3.03Å; S39-I42 PolarHBondContact O-N 3.3Å; S39-L43 WeakPolarHBondContact O-CB 3.13Å; S39-L43 WeakPolarHBondContact O-CG 3.47Å; S39-L43 PolarHBondContact O-N 3.4Å
40I93Very high92.6Very high8 Ų836.8 Ų36.84%0.04120%0.2CC..Hα-helixtrans-63.3-43.7177.5-66.9165.7000110.4R36 L37 M38 L43 S44 I114 I117 L119R36-I40 PolarHBondContact O-N 2.72Å; L37-I40 WeakPolarHBondContact O-CB 3.36Å; L37-I40 PolarHBondContact O-N 2.94Å; M38-I40 VanDerWaalsContact C-N 3.32Å; M38-I40 PolarHBondContact O-N 2.84Å; I40-L43 PolarHBondContact O-N 2.96Å; I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.37Å; I40-S44 PolarHBondContact O-N 2.93Å; I40-S44 PolarHBondContact O-OG 3.46Å; I40-I114 HydrophobicContact CD1-CB 3.88Å; I40-I114 HydrophobicContact CD1-CG2 4.11Å; I40-I114 WeakPolarHBondContact CD1-O 3.38Å; I40-I117 HydrophobicContact CD1-CG2 4.21Å; I40-I117 HydrophobicContact CG2-CG2 3.63Å; I40-L119 HydrophobicContact CG2-CD1 4.04Å; I40-L119 HydrophobicContact CG2-CD2 4.06Å; I40-L119 HydrophobicContact CG2-CG 3.93Å
41F93.7Very high92.9Very high3 Ų330.3 Ų30.31%0.01317%0.165CC..Hα-helixtrans-67.2-38.1178.8-65.8-20.1000112.8A3 I5 L37 M38 S39 S44 E45 I46 I49 T108 L119A3-F41 HydrophobicContact CB-CD2 4.23Å; A3-F41 HydrophobicContact CB-CE1 4.15Å; A3-F41 HydrophobicContact CB-CE2 3.83Å; A3-F41 HydrophobicContact CB-CZ 3.79Å; I5-F41 HydrophobicContact CD1-CD2 4.43Å; I5-F41 HydrophobicContact CD1-CE2 3.83Å; I5-F41 HydrophobicContact CG1-CE2 3.81Å; L37-F41 WeakPolarHBondContact O-CG 3.33Å; L37-F41 PolarHBondContact O-N 3.4Å; L37-F41 VanDerWaalsContact O-N 3.15Å; M38-F41 PolarHBondContact O-N 2.87Å; S39-F41 VanDerWaalsContact C-N 3.35Å; S39-F41 PolarHBondContact O-N 3.03Å; F41-S44 CarbonylContact O-C 3.57Å; F41-S44 PolarHBondContact O-N 2.98Å; F41-E45 PolarHBondContact O-N 3.21Å; F41-I46 HydrophobicContact CB-CB 4.13Å; F41-I46 HydrophobicContact CB-CD1 4.36Å; F41-I46 HydrophobicContact CD1-CD1 3.63Å; F41-I46 HydrophobicContact CE1-CD1 4.17Å; F41-I46 HydrophobicContact CG-CD1 4.18Å; F41-I46 PolarHBondContact O-N 2.83Å; F41-I49 HydrophobicContact CB-CD1 3.93Å; F41-I49 HydrophobicContact CD2-CD1 3.82Å; F41-I49 HydrophobicContact CD2-CG1 3.98Å; F41-I49 HydrophobicContact CG-CD1 4.28Å; F41-T108 HydrophobicContact CE2-CG2 4.33Å; F41-T108 HydrophobicContact CZ-CG2 3.84Å; F41-L119 HydrophobicContact CD1-CD1 3.64Å; F41-L119 HydrophobicContact CE1-CD1 3.9Å
42I92.3Very high93Very high39 Ų3927.7 Ų27.720%0.215%0.153CC..Hα-helixtrans-65.1-48.9175-69161.7000110.6M38 S39 S44 E45 W72 P73 M76M38-I42 WeakPolarHBondContact O-CB 3.4Å; M38-I42 WeakPolarHBondContact O-CD1 3.38Å; M38-I42 WeakPolarHBondContact O-CG1 3.11Å; M38-I42 PolarHBondContact O-N 3.05Å; S39-I42 PolarHBondContact O-N 3.3Å; I42-S44 PolarHBondContact O-N 3.12Å; I42-E45 PolarHBondContact O-N 2.7Å; I42-W72 HydrophobicContact CD1-CB 4.44Å; I42-W72 HydrophobicContact CD1-CG 4.01Å; I42-P73 HydrophobicContact CG2-CG 4.03Å; I42-M76 HydrophobicContact CD1-CE 4.19Å; I42-M76 HydrophobicContact CD1-SD 4.04Å; I42-M76 HydrophobicContact CG1-CE 3.59Å; I42-M76 HydrophobicContact CG1-SD 3.48Å; I42-M76 WeakPolarHBondContact CG1-SD 3.14Å
43L91.7Very high93Very high144 Ų14426.8 Ų26.875%0.75415%0.147SC*.Hα-helixtrans-61.7-28.6178.6-71.2171.5000112.5S39 I40S39-L43 WeakPolarHBondContact O-CB 3.13Å; S39-L43 WeakPolarHBondContact O-CG 3.47Å; S39-L43 PolarHBondContact O-N 3.4Å; I40-L43 PolarHBondContact O-N 2.96Å
44S91.6Very high92.7Very high28 Ų2828 Ų2820%0.19615%0.153CC..THydrogen-bonded Turntrans-92.79.4177.6-55.10000113.9I40 F41 I42 I46 L119I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.37Å; I40-S44 PolarHBondContact O-N 2.93Å; I40-S44 PolarHBondContact O-OG 3.46Å; F41-S44 CarbonylContact O-C 3.57Å; F41-S44 PolarHBondContact O-N 2.98Å; I42-S44 PolarHBondContact O-N 3.12Å; S44-I46 VanDerWaalsContact C-N 3.26Å; S44-I46 PolarHBondContact O-N 3.44Å; S44-L119 WeakPolarHBondContact OG-CB 3.28Å; S44-L119 VanDerWaalsContact OG-CG 3.27Å; S44-L119 WeakPolarHBondContact OG-CG 3.4Å
45E91.8Very high92.4Very high134 Ų13435 Ų3563%0.62618%0.184SC*.THydrogen-bonded Turntrans55.735.8178.5-57.6178173.800113.9F41 I42 S47F41-E45 PolarHBondContact O-N 3.21Å; I42-E45 PolarHBondContact O-N 2.7Å; E45-S47 PolarHBondContact O-N 2.72Å
46I92.8Very high92Very high3 Ų337.1 Ų37.12%0.01520%0.201CC..  trans-75.1118173-65.7-176.6000109A3 F41 S44 I49 F106 L119A3-I46 HydrophobicContact CB-CD1 4.2Å; A3-I46 HydrophobicContact CB-CG2 3.92Å; F41-I46 HydrophobicContact CB-CB 4.13Å; F41-I46 HydrophobicContact CB-CD1 4.36Å; F41-I46 HydrophobicContact CD1-CD1 3.63Å; F41-I46 HydrophobicContact CE1-CD1 4.17Å; F41-I46 HydrophobicContact CG-CD1 4.18Å; F41-I46 PolarHBondContact O-N 2.83Å; S44-I46 VanDerWaalsContact C-N 3.26Å; S44-I46 PolarHBondContact O-N 3.44Å; I46-I49 HydrophobicContact CG2-CD1 4.32Å; I46-I49 HydrophobicContact CG2-CG1 3.9Å; I46-F106 HydrophobicContact CD1-CD2 3.62Å; I46-F106 HydrophobicContact CD1-CE2 4.09Å; I46-F106 HydrophobicContact CD1-CG 4.34Å; I46-L119 HydrophobicContact CD1-CD1 3.41Å; I46-L119 VanDerWaalsContact CD1-CD1 3.41Å; I46-L119 HydrophobicContact CG1-CD1 4.43Å
47S91.8Very high91.8Very high48 Ų4835 Ų3534%0.33619%0.193SC..  trans-88.6-23.6-171.861.10000114.3E45 M76 K77E45-S47 PolarHBondContact O-N 2.72Å; S47-M76 WeakPolarHBondContact O-CA 3.45Å; S47-K77 PolarHBondContact O-N 3.35Å
48D94.5Very high91.6Very high29 Ų2936.4 Ų36.416%0.15520%0.202CC..EExtended strand (participates in β ladder)trans-139.2111.3-171.9-175.725.6000111.2Q2 A3 K77 N79Q2-D48 CarbonylContact C-O 3.56Å; Q2-D48 VanDerWaalsContact CA-O 3.24Å; Q2-D48 WeakPolarHBondContact CA-O 3.5Å; Q2-D48 HydrophobicContact CG-CB 3.94Å; Q2-D48 PolarHBondContact NE2-OD2 3.29Å; A3-D48 PolarHBondContact N-O 3.23Å; D48-K77 WeakPolarHBondContact CA-O 3.41Å; D48-N79 PolarHBondContact OD1-ND2 3.34Å
49I95.3Very high91.5Very high0 Ų041.8 Ų41.80%023%0.229CC..EExtended strand (participates in β ladder)trans-115.8132-177.2-68.4146.1000109A3 I5 M38 F41 I46 I51 M76 K77 V78 N79A3-I49 HydrophobicContact CB-CG1 4.03Å; A3-I49 CarbonylContact O-C 3.55Å; A3-I49 WeakPolarHBondContact O-CA 3.34Å; I5-I49 HydrophobicContact CD1-CG2 4.17Å; I5-I49 HydrophobicContact CG1-CG2 4.28Å; M38-I49 HydrophobicContact CE-CD1 4.33Å; M38-I49 HydrophobicContact SD-CD1 4.14Å; F41-I49 HydrophobicContact CB-CD1 3.93Å; F41-I49 HydrophobicContact CD2-CD1 3.82Å; F41-I49 HydrophobicContact CD2-CG1 3.98Å; F41-I49 HydrophobicContact CG-CD1 4.28Å; I46-I49 HydrophobicContact CG2-CD1 4.32Å; I46-I49 HydrophobicContact CG2-CG1 3.9Å; I49-I51 HydrophobicContact CG2-CG1 4.03Å; I49-M76 HydrophobicContact CD1-CE 3.02Å; I49-M76 HydrophobicContact CD1-CG 4.35Å; I49-M76 HydrophobicContact CD1-SD 4.48Å; I49-K77 PolarHBondContact N-O 2.92Å; I49-V78 CarbonylContact O-C 3.55Å; I49-V78 WeakPolarHBondContact O-CA 3.19Å; I49-N79 PolarHBondContact O-N 2.89Å; I49-N79 PolarHBondContact O-ND2 3.47Å
50T95.1Very high91.3Very high12 Ų1242.2 Ų42.27%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-109.6123.5170.7-58.40000108.8A3 L4 I5 V52 N79 R81A3-T50 PolarHBondContact O-N 3.45Å; L4-T50 CarbonylContact C-O 3.53Å; L4-T50 WeakPolarHBondContact CA-O 3.32Å; L4-T50 HydrophobicContact CD1-CG2 4.23Å; I5-T50 PolarHBondContact N-O 2.81Å; T50-V52 HydrophobicContact CG2-CG2 4.34Å; T50-N79 CarbonylContact C-O 3.57Å; T50-N79 WeakPolarHBondContact CA-O 3.3Å; T50-R81 HydrophobicContact CG2-CB 4.18Å
51I94.7Very high91.3Very high0 Ų041.9 Ų41.90%022%0.223CC..EExtended strand (participates in β ladder)trans-105.3112.5174.1-57.2178.7000107.3I5 C7 L34 I49 L61 L65 V78 N79 L80 R81I5-I51 HydrophobicContact CB-CG1 4.2Å; I5-I51 HydrophobicContact CD1-CD1 4.4Å; I5-I51 HydrophobicContact CD1-CG1 4.15Å; I5-I51 HydrophobicContact CG1-CG1 4.45Å; I5-I51 WeakPolarHBondContact O-CA 3.34Å; C7-I51 VanDerWaalsContact SG-CG2 3.54Å; L34-I51 HydrophobicContact CD1-CD1 4.32Å; I49-I51 HydrophobicContact CG2-CG1 4.03Å; I51-L61 HydrophobicContact CG2-CD1 4.37Å; I51-L65 HydrophobicContact CD1-CD2 4.11Å; I51-V78 HydrophobicContact CD1-CG1 3.76Å; I51-V78 HydrophobicContact CG1-CG1 4.2Å; I51-N79 PolarHBondContact N-O 3.46Å; I51-L80 HydrophobicContact CB-CD2 3.99Å; I51-L80 HydrophobicContact CG2-CD2 4.14Å; I51-R81 PolarHBondContact O-N 3.28Å
52V93.5Very high91.2Very high0 Ų044 Ų440%024%0.236CC..EExtended strand (participates in β ladder)trans-90.4124.1175.1171.10000108.7L4 I5 C7 N8 T50 R81 L83 T92 I96L4-V52 HydrophobicContact CD1-CB 4.44Å; L4-V52 HydrophobicContact CD1-CG2 3.63Å; I5-V52 PolarHBondContact O-N 3.08Å; C7-V52 WeakPolarHBondContact CA-O 3.1Å; C7-V52 VanDerWaalsContact CB-O 3.32Å; C7-V52 WeakPolarHBondContact CB-O 3.42Å; C7-V52 PolarHBondContact N-O 2.89Å; N8-V52 HydrophobicContact CB-CG1 4.23Å; N8-V52 PolarHBondContact N-O 3.39Å; T50-V52 HydrophobicContact CG2-CG2 4.34Å; V52-R81 WeakPolarHBondContact CA-O 3.49Å; V52-R81 HydrophobicContact CG2-CB 4.24Å; V52-L83 HydrophobicContact CG1-CB 4.42Å; V52-L83 HydrophobicContact CG1-CD1 3.36Å; V52-L83 HydrophobicContact CG1-CG 3.8Å; V52-T92 HydrophobicContact CB-CG2 4.37Å; V52-T92 HydrophobicContact CG1-CG2 3.97Å; V52-T92 HydrophobicContact CG2-CG2 4.09Å; V52-I96 HydrophobicContact CG2-CG2 3.91Å
53H91.5Very high91.2Very high3 Ų346 Ų461%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-139164.6-17565.485000111.6C7 Q57 T58 L61 R81 E82 L83C7-H53 HydrophobicContact CB-CB 4.22Å; H53-Q57 HydrophobicContact CB-CB 4.2Å; H53-Q57 VanDerWaalsContact CB-OE1 3.32Å; H53-T58 PolarHBondContact CE1-OG1 2.98Å; H53-T58 PolarHBondContact ND1-OG1 3.22Å; H53-L61 HydrophobicContact CB-CD1 3.43Å; H53-L61 VanDerWaalsContact CB-CD1 3.43Å; H53-R81 PolarHBondContact N-O 2.82Å; H53-R81 VanDerWaalsContact N-O 3.1Å; H53-E82 WeakPolarHBondContact O-CA 3.44Å; H53-L83 PolarHBondContact O-N 3.05Å
54N87.4Confident91.2Very high25 Ų2540.7 Ų40.713%0.13422%0.218CC..  trans-82.2167.4171.673.129.2000110.9A56 Q57 T58N54-A56 VanDerWaalsContact C-N 3.29Å; N54-A56 PolarHBondContact O-N 3.12Å; N54-A56 WeakPolarHBondContact OD1-CA 3.41Å; N54-A56 WeakPolarHBondContact OD1-CB 3.25Å; N54-A56 PolarHBondContact OD1-N 3.31Å; N54-Q57 VanDerWaalsContact CG-CD 3.45Å; N54-Q57 PolarHBondContact ND2-NE2 3.21Å; N54-Q57 PolarHBondContact O-N 2.95Å; N54-Q57 WeakPolarHBondContact OD1-CB 3.49Å; N54-Q57 WeakPolarHBondContact OD1-CG 3.47Å; N54-Q57 PolarHBondContact OD1-N 3.3Å; N54-T58 PolarHBondContact O-OG1 3.2Å
55K86.9Confident91.2Very high149 Ų14940.1 Ų40.165%0.64821%0.212SC*.THydrogen-bonded Turntrans-62.5-32.1179.3-175.2172.8-179.3-178.10114Q57 T58 E82K55-Q57 VanDerWaalsContact C-N 3.29Å; K55-Q57 PolarHBondContact O-N 3.26Å; K55-T58 PolarHBondContact O-N 3.42Å; K55-T58 PolarHBondContact O-OG1 3.03Å; K55-T58 VanDerWaalsContact O-OG1 3.11Å; K55-E82 HydrophobicContact CB-CG 4.22Å; K55-E82 WeakPolarHBondContact CB-OE1 3.15Å; K55-E82 WeakPolarHBondContact CD-OE1 3.43Å; K55-E82 VanDerWaalsContact CG-OE1 3.28Å; K55-E82 WeakPolarHBondContact CG-OE1 3.45Å
56A84.5Confident91.3Very high66 Ų6639 Ų3955%0.54521%0.211SC..THydrogen-bonded Turntrans-68.1-31.2-179.300000112.2N54N54-A56 VanDerWaalsContact C-N 3.29Å; N54-A56 PolarHBondContact O-N 3.12Å; N54-A56 WeakPolarHBondContact OD1-CA 3.41Å; N54-A56 WeakPolarHBondContact OD1-CB 3.25Å; N54-A56 PolarHBondContact OD1-N 3.31Å
57Q87.4Confident91.2Very high0 Ų045.8 Ų45.80%024%0.242CC..THydrogen-bonded Turntrans-81.5-19.3-179-67.9163-10.800113.3C7 G21 H53 N54 K55 I59 R60 L61C7-Q57 PolarHBondContact O-NE2 2.94Å; G21-Q57 WeakPolarHBondContact O-CG 3.11Å; G21-Q57 PolarHBondContact O-NE2 3.42Å; H53-Q57 HydrophobicContact CB-CB 4.2Å; H53-Q57 VanDerWaalsContact CB-OE1 3.32Å; N54-Q57 VanDerWaalsContact CG-CD 3.45Å; N54-Q57 PolarHBondContact ND2-NE2 3.21Å; N54-Q57 PolarHBondContact O-N 2.95Å; N54-Q57 WeakPolarHBondContact OD1-CB 3.49Å; N54-Q57 WeakPolarHBondContact OD1-CG 3.47Å; N54-Q57 PolarHBondContact OD1-N 3.3Å; K55-Q57 VanDerWaalsContact C-N 3.29Å; K55-Q57 PolarHBondContact O-N 3.26Å; Q57-I59 PolarHBondContact O-N 2.9Å; Q57-R60 PolarHBondContact O-N 2.84Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; Q57-L61 HydrophobicContact CB-CD1 3.9Å; Q57-L61 HydrophobicContact CB-CG 4.33Å; Q57-L61 PolarHBondContact O-N 3.45Å
58T89.8Confident91.1Very high33 Ų3345.1 Ų45.120%0.20224%0.235CC..Hα-helixtrans-50.8-52-169.4-52.70000113H53 N54 K55 T62 E82H53-T58 PolarHBondContact CE1-OG1 2.98Å; H53-T58 PolarHBondContact ND1-OG1 3.22Å; N54-T58 PolarHBondContact O-OG1 3.2Å; K55-T58 PolarHBondContact O-N 3.42Å; K55-T58 PolarHBondContact O-OG1 3.03Å; K55-T58 VanDerWaalsContact O-OG1 3.11Å; T58-T62 VanDerWaalsContact O-CB 3.3Å; T58-T62 WeakPolarHBondContact O-CB 3.48Å; T58-T62 PolarHBondContact O-N 3.43Å; T58-T62 PolarHBondContact O-OG1 3.32Å; T58-E82 PolarHBondContact OG1-OE2 3.24Å
59I89.9Confident90.9Very high114 Ų11447.8 Ų47.859%0.58524%0.243SC*.Hα-helixtrans-65.4-45.7-176.2-61.7171.7000110.4Q57 T62 N63Q57-I59 PolarHBondContact O-N 2.9Å; I59-T62 PolarHBondContact O-N 3.48Å; I59-N63 VanDerWaalsContact O-CG 3.27Å; I59-N63 PolarHBondContact O-N 3.18Å
60R89Confident90.6Very high49 Ų4956.6 Ų56.619%0.18528%0.284CS..Hα-helixtrans-64.9-46.9-176.6-163.4-174.6177.4128-12.2111.3Q20 L25 Q57 N63 Y64 E366Q20-R60 VanDerWaalsContact OE1-CG 3.26Å; L25-R60 HydrophobicContact CD1-CB 4.37Å; L25-R60 HydrophobicContact CD1-CG 3.51Å; Q57-R60 PolarHBondContact O-N 2.84Å; Q57-R60 VanDerWaalsContact O-N 3.16Å; R60-N63 PolarHBondContact O-N 3.43Å; R60-Y64 WeakPolarHBondContact O-CB 3.44Å; R60-Y64 PolarHBondContact O-N 2.94Å; R60-E366 IonicContact CZ-OE1 2.69Å; R60-E366 IonicContact NH1-OE1 2.67Å; R60-E366 PolarHBondContact NH1-OE1 3.05Å; R60-E366 IonicContact NH1-OE2 3.07Å; R60-E366 PolarHBondContact NH1-OE2 2.88Å; R60-E366 IonicContact NH2-OE1 3.74Å; R60-E366 PolarHBondContact NH2-OE1 3.23Å
61L91.7Very high90.2Very high0 Ų062.1 Ų62.10%031%0.312CS..Hα-helixtrans-62.8-45.5176.4-71.6173.3000110.9L25 L34 I51 H53 Q57 N63 Y64 L65 L80L25-L61 HydrophobicContact CD1-CD2 4.33Å; L25-L61 HydrophobicContact CG-CD2 4.4Å; L34-L61 HydrophobicContact CD2-CD2 4.07Å; I51-L61 HydrophobicContact CG2-CD1 4.37Å; H53-L61 HydrophobicContact CB-CD1 3.43Å; H53-L61 VanDerWaalsContact CB-CD1 3.43Å; Q57-L61 HydrophobicContact CB-CD1 3.9Å; Q57-L61 HydrophobicContact CB-CG 4.33Å; Q57-L61 PolarHBondContact O-N 3.45Å; L61-N63 PolarHBondContact O-N 3.3Å; L61-Y64 PolarHBondContact O-N 2.65Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.27Å; L61-L65 PolarHBondContact O-N 2.85Å; L61-L80 HydrophobicContact CB-CD2 4.12Å; L61-L80 HydrophobicContact CD1-CD2 4.32Å
62T92.8Very high90Very high48 Ų4863.2 Ų63.229%0.29432%0.317SS..Hα-helixtrans-58.3-46.8179.1-580000111.8T58 I59 L65 N66 L80T58-T62 VanDerWaalsContact O-CB 3.3Å; T58-T62 WeakPolarHBondContact O-CB 3.48Å; T58-T62 PolarHBondContact O-N 3.43Å; T58-T62 PolarHBondContact O-OG1 3.32Å; I59-T62 PolarHBondContact O-N 3.48Å; T62-L65 PolarHBondContact O-N 2.65Å; T62-N66 WeakPolarHBondContact O-CB 3.5Å; T62-N66 PolarHBondContact O-N 3.14Å; T62-N66 PolarHBondContact O-ND2 3.5Å; T62-L80 WeakPolarHBondContact OG1-CD1 3.4Å
63N92.4Very high89.9Confident82 Ų8264.9 Ų64.944%0.43933%0.328SS..Hα-helixtrans-61.6-48177.5-69.3-8.7000111.3I59 R60 L61 L65 N66 E67I59-N63 VanDerWaalsContact O-CG 3.27Å; I59-N63 PolarHBondContact O-N 3.18Å; R60-N63 PolarHBondContact O-N 3.43Å; L61-N63 PolarHBondContact O-N 3.3Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 3.2Å; N63-N66 PolarHBondContact O-N 2.83Å; N63-E67 WeakPolarHBondContact O-CG 3.35Å; N63-E67 PolarHBondContact O-N 3.4Å
64Y91.7Very high89.8Confident32 Ų3272 Ų7213%0.12537%0.366CS..Hα-helixtrans-58.4-44.9177.7177.9-94.2000112.2L25 T32 L34 A35 R60 L61 N66 E67 N68L25-Y64 HydrophobicContact CD2-CD1 3.75Å; L25-Y64 HydrophobicContact CD2-CD2 3.65Å; L25-Y64 HydrophobicContact CD2-CE1 4.04Å; L25-Y64 HydrophobicContact CD2-CE2 3.94Å; L25-Y64 HydrophobicContact CD2-CG 3.55Å; T32-Y64 HydrophobicContact CG2-CE2 4.2Å; T32-Y64 PolarHBondContact OG1-OH 3.27Å; T32-Y64 VanDerWaalsContact OG1-OH 3.06Å; L34-Y64 HydrophobicContact CD2-CD1 3.87Å; L34-Y64 HydrophobicContact CD2-CE1 3.75Å; L34-Y64 HydrophobicContact CG-CE1 4.19Å; A35-Y64 WeakPolarHBondContact CB-OH 3.33Å; R60-Y64 WeakPolarHBondContact O-CB 3.44Å; R60-Y64 PolarHBondContact O-N 2.94Å; L61-Y64 PolarHBondContact O-N 2.65Å; Y64-N66 VanDerWaalsContact C-N 3.35Å; Y64-N66 PolarHBondContact O-N 2.85Å; Y64-E67 PolarHBondContact O-N 2.86Å; Y64-N68 WeakPolarHBondContact CD2-ND2 3.42Å; Y64-N68 VanDerWaalsContact CE2-ND2 3.34Å; Y64-N68 WeakPolarHBondContact CE2-ND2 3.44Å; Y64-N68 WeakPolarHBondContact O-CB 3.15Å; Y64-N68 PolarHBondContact O-N 2.91Å; Y64-N68 VanDerWaalsContact O-N 3.1Å; Y64-N68 PolarHBondContact O-ND2 3.3Å
65L91.8Very high90Very high16 Ų1676.7 Ų76.78%0.08438%0.382CS..Hα-helixtrans-64.6-40.3178.5-63.6-177.5000111.5I51 L61 T62 N63 N68 R69 W72 V78 L80I51-L65 HydrophobicContact CD1-CD2 4.11Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.27Å; L61-L65 PolarHBondContact O-N 2.85Å; T62-L65 PolarHBondContact O-N 2.65Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 3.2Å; L65-N68 PolarHBondContact O-N 3.12Å; L65-R69 WeakPolarHBondContact O-CA 3.3Å; L65-R69 WeakPolarHBondContact O-CB 3.11Å; L65-R69 PolarHBondContact O-N 2.8Å; L65-W72 HydrophobicContact CB-CH2 4.08Å; L65-W72 HydrophobicContact CB-CZ3 4.33Å; L65-W72 HydrophobicContact CD2-CH2 3.4Å; L65-W72 HydrophobicContact CD2-CZ2 4.36Å; L65-W72 HydrophobicContact CD2-CZ3 4.02Å; L65-W72 HydrophobicContact CG-CH2 4.29Å; L65-V78 HydrophobicContact CD1-CG1 3.82Å; L65-V78 HydrophobicContact CD2-CG1 4.17Å; L65-L80 HydrophobicContact CD1-CD1 3.78Å; L65-L80 HydrophobicContact CD1-CD2 3.88Å; L65-L80 HydrophobicContact CD1-CG 3.73Å
66N91.9Very high90.3Very high111 Ų11169.8 Ų69.859%0.59435%0.352SS*.Hα-helixtrans-65.8-43.3178.9-72-23.4000112.2T62 N63 Y64 N68T62-N66 WeakPolarHBondContact O-CB 3.5Å; T62-N66 PolarHBondContact O-N 3.14Å; T62-N66 PolarHBondContact O-ND2 3.5Å; N63-N66 PolarHBondContact O-N 2.83Å; Y64-N66 VanDerWaalsContact C-N 3.35Å; Y64-N66 PolarHBondContact O-N 2.85Å; N66-N68 VanDerWaalsContact C-N 3.31Å; N66-N68 PolarHBondContact O-N 2.84Å
67E91.4Very high90.6Very high144 Ų14472.4 Ų72.467%0.67335%0.352SS*.Hα-helixtrans-63.6-37.3177.9-72.4169-172.500112N63 Y64N63-E67 WeakPolarHBondContact O-CG 3.35Å; N63-E67 PolarHBondContact O-N 3.4Å; Y64-E67 PolarHBondContact O-N 2.86Å
68N90.8Very high91Very high35 Ų3574 Ų7419%0.18736%0.361CS..Hα-helixtrans-95.9-4.3-175.9-68.9-87.7000114Y64 L65 N66 Q70 L71 W72Y64-N68 WeakPolarHBondContact CD2-ND2 3.42Å; Y64-N68 VanDerWaalsContact CE2-ND2 3.34Å; Y64-N68 WeakPolarHBondContact CE2-ND2 3.44Å; Y64-N68 WeakPolarHBondContact O-CB 3.15Å; Y64-N68 PolarHBondContact O-N 2.91Å; Y64-N68 VanDerWaalsContact O-N 3.1Å; Y64-N68 PolarHBondContact O-ND2 3.3Å; L65-N68 PolarHBondContact O-N 3.12Å; N66-N68 VanDerWaalsContact C-N 3.31Å; N66-N68 PolarHBondContact O-N 2.84Å; N68-Q70 PolarHBondContact O-N 2.97Å; N68-L71 HydrophobicContact CB-CD1 4.31Å; N68-L71 WeakPolarHBondContact O-CB 3.33Å; N68-L71 PolarHBondContact O-N 2.79Å; N68-W72 HydrophobicContact CB-CH2 4.38Å; N68-W72 HydrophobicContact CB-CZ2 3.84Å
69R88.6Confident91.1Very high84 Ų8474.6 Ų74.632%0.31736%0.363SS..G310 helixtrans-56.6-31.5-174.3-178.659.6-17292.7-12.9113.4L65 L71 W72 P73 D74 M76L65-R69 WeakPolarHBondContact O-CA 3.3Å; L65-R69 WeakPolarHBondContact O-CB 3.11Å; L65-R69 PolarHBondContact O-N 2.8Å; R69-L71 PolarHBondContact O-N 2.92Å; R69-W72 PolarHBondContact NH1-O 2.83Å; R69-W72 PolarHBondContact O-N 3.24Å; R69-P73 PolarHBondContact NH1-O 3.14Å; R69-P73 PolarHBondContact NH2-O 3.04Å; R69-D74 PolarHBondContact NH2-O 2.83Å; R69-M76 PolarHBondContact NH2-O 2.7Å
70Q89.2Confident91.3Very high185 Ų18571.8 Ų71.886%0.86435%0.349SS*.G310 helixtrans-65.6-20.9179.5-60.8179.84.200113.1N68 W72N68-Q70 PolarHBondContact O-N 2.97Å; Q70-W72 VanDerWaalsContact C-N 3.3Å
71L88.1Confident91.5Very high128 Ų12875.2 Ų75.267%0.6736%0.362SS*.G310 helixtrans-83.5-7.1179.3-59.6171000112.7N68 R69N68-L71 HydrophobicContact CB-CD1 4.31Å; N68-L71 WeakPolarHBondContact O-CB 3.33Å; N68-L71 PolarHBondContact O-N 2.79Å; R69-L71 PolarHBondContact O-N 2.92Å
72W90.1Very high91.6Very high24 Ų2479.1 Ų79.19%0.09138%0.38CS..SBendtrans-111.7146.6-171.7-54.5-21.4000112.2M38 I42 L65 N68 R69 Q70 M76 V78M38-W72 HydrophobicContact CE-CD2 4.05Å; M38-W72 HydrophobicContact CE-CE3 4.12Å; M38-W72 HydrophobicContact CE-CH2 3.92Å; M38-W72 HydrophobicContact CE-CZ2 3.78Å; M38-W72 HydrophobicContact CE-CZ3 4.07Å; I42-W72 HydrophobicContact CD1-CB 4.44Å; I42-W72 HydrophobicContact CD1-CG 4.01Å; L65-W72 HydrophobicContact CB-CH2 4.08Å; L65-W72 HydrophobicContact CB-CZ3 4.33Å; L65-W72 HydrophobicContact CD2-CH2 3.4Å; L65-W72 HydrophobicContact CD2-CZ2 4.36Å; L65-W72 HydrophobicContact CD2-CZ3 4.02Å; L65-W72 HydrophobicContact CG-CH2 4.29Å; N68-W72 HydrophobicContact CB-CH2 4.38Å; N68-W72 HydrophobicContact CB-CZ2 3.84Å; R69-W72 PolarHBondContact NH1-O 2.83Å; R69-W72 PolarHBondContact O-N 3.24Å; Q70-W72 VanDerWaalsContact C-N 3.3Å; W72-M76 HydrophobicContact CB-SD 3.86Å; W72-M76 HydrophobicContact CD2-SD 4.47Å; W72-M76 HydrophobicContact CG-SD 4.07Å; W72-V78 HydrophobicContact CE3-CG2 4.03Å; W72-V78 HydrophobicContact CZ3-CG2 3.91Å
73P91.2Very high91.4Very high35 Ų3577.2 Ų77.223%0.22737%0.368CS..  trans-56.9148.3176.7-22.932.9000113.2I42 R69 Y75 M76I42-P73 HydrophobicContact CG2-CG 4.03Å; R69-P73 PolarHBondContact NH1-O 3.14Å; R69-P73 PolarHBondContact NH2-O 3.04Å; P73-Y75 HydrophobicContact CB-CD1 3.48Å; P73-Y75 VanDerWaalsContact CB-CD1 3.48Å; P73-Y75 HydrophobicContact CB-CD2 4.47Å; P73-Y75 HydrophobicContact CB-CE1 3.17Å; P73-Y75 HydrophobicContact CB-CE2 4.2Å; P73-Y75 HydrophobicContact CB-CG 4.14Å; P73-Y75 HydrophobicContact CG-CE1 3.76Å; P73-Y75 PolarHBondContact O-N 3.21Å; P73-M76 WeakPolarHBondContact O-CB 3.09Å; P73-M76 PolarHBondContact O-N 3.4Å; P73-M76 VanDerWaalsContact O-N 3.08Å
74D89.8Confident90.8Very high153 Ų15377.5 Ų77.582%0.81838%0.375SS*.THydrogen-bonded Turntrans-63.3-30.8-179.1-66.8-30.8000113R69 M76R69-D74 PolarHBondContact NH2-O 2.83Å; D74-M76 PolarHBondContact O-N 3.21Å
75Y90.4Very high90.1Very high123 Ų12380.6 Ų80.648%0.48239%0.393SS..THydrogen-bonded Turntrans-69.5-18.6177.567.8-105.7000113.4P73 K77P73-Y75 HydrophobicContact CB-CD1 3.48Å; P73-Y75 VanDerWaalsContact CB-CD1 3.48Å; P73-Y75 HydrophobicContact CB-CD2 4.47Å; P73-Y75 HydrophobicContact CB-CE1 3.17Å; P73-Y75 HydrophobicContact CB-CE2 4.2Å; P73-Y75 HydrophobicContact CB-CG 4.14Å; P73-Y75 HydrophobicContact CG-CE1 3.76Å; P73-Y75 PolarHBondContact O-N 3.21Å; Y75-K77 PolarHBondContact O-N 3.48Å
76M92.7Very high89.4Confident3 Ų386 Ų862%0.01542%0.416CS..  trans-80.5117.8-174-170.4-173.9-172.500109.9M38 I42 S47 I49 R69 W72 P73 D74M38-M76 HydrophobicContact CE-CE 3.34Å; M38-M76 HydrophobicContact CE-SD 4.39Å; M38-M76 HydrophobicContact SD-CE 4.07Å; I42-M76 HydrophobicContact CD1-CE 4.19Å; I42-M76 HydrophobicContact CD1-SD 4.04Å; I42-M76 HydrophobicContact CG1-CE 3.59Å; I42-M76 HydrophobicContact CG1-SD 3.48Å; I42-M76 WeakPolarHBondContact CG1-SD 3.14Å; S47-M76 WeakPolarHBondContact O-CA 3.45Å; I49-M76 HydrophobicContact CD1-CE 3.02Å; I49-M76 HydrophobicContact CD1-CG 4.35Å; I49-M76 HydrophobicContact CD1-SD 4.48Å; R69-M76 PolarHBondContact NH2-O 2.7Å; W72-M76 HydrophobicContact CB-SD 3.86Å; W72-M76 HydrophobicContact CD2-SD 4.47Å; W72-M76 HydrophobicContact CG-SD 4.07Å; P73-M76 WeakPolarHBondContact O-CB 3.09Å; P73-M76 PolarHBondContact O-N 3.4Å; P73-M76 VanDerWaalsContact O-N 3.08Å; D74-M76 PolarHBondContact O-N 3.21Å
77K92.9Very high88.6Confident122 Ų12282.1 Ų82.153%0.5339%0.393SS..EExtended strand (participates in β ladder)trans-100.3128.3175.6-165.5-174.8-173.8-154.90109.7S47 D48 I49 Y75 N79S47-K77 PolarHBondContact O-N 3.35Å; D48-K77 WeakPolarHBondContact CA-O 3.41Å; I49-K77 PolarHBondContact N-O 2.92Å; Y75-K77 PolarHBondContact O-N 3.48Å; K77-N79 WeakPolarHBondContact CE-OD1 3.48Å; K77-N79 PolarHBondContact NZ-OD1 3.2Å
78V93.9Very high87.9Confident34 Ų3475.9 Ų75.921%0.20637%0.366CS..EExtended strand (participates in β ladder)trans-118118.4173.9-1730000108M38 I49 I51 L65 W72M38-V78 HydrophobicContact CE-CG2 3.69Å; I49-V78 CarbonylContact O-C 3.55Å; I49-V78 WeakPolarHBondContact O-CA 3.19Å; I51-V78 HydrophobicContact CD1-CG1 3.76Å; I51-V78 HydrophobicContact CG1-CG1 4.2Å; L65-V78 HydrophobicContact CD1-CG1 3.82Å; L65-V78 HydrophobicContact CD2-CG1 4.17Å; W72-V78 HydrophobicContact CE3-CG2 4.03Å; W72-V78 HydrophobicContact CZ3-CG2 3.91Å
79N93.4Very high87.3Confident44 Ų4475 Ų7524%0.23536%0.361CS..EExtended strand (participates in β ladder)trans-109.2126179.8-47.2-91000109.1D48 I49 T50 I51 K77D48-N79 PolarHBondContact OD1-ND2 3.34Å; I49-N79 PolarHBondContact O-N 2.89Å; I49-N79 PolarHBondContact O-ND2 3.47Å; T50-N79 CarbonylContact C-O 3.57Å; T50-N79 WeakPolarHBondContact CA-O 3.3Å; I51-N79 PolarHBondContact N-O 3.46Å; K77-N79 WeakPolarHBondContact CE-OD1 3.48Å; K77-N79 PolarHBondContact NZ-OD1 3.2Å
80L93.7Very high86.8Confident55 Ų5571 Ų7129%0.28835%0.346SS..EExtended strand (participates in β ladder)trans-87.9133.3169.9-73.8172.2000109.8I51 L61 T62 L65I51-L80 HydrophobicContact CB-CD2 3.99Å; I51-L80 HydrophobicContact CG2-CD2 4.14Å; L61-L80 HydrophobicContact CB-CD2 4.12Å; L61-L80 HydrophobicContact CD1-CD2 4.32Å; T62-L80 WeakPolarHBondContact OG1-CD1 3.4Å; L65-L80 HydrophobicContact CD1-CD1 3.78Å; L65-L80 HydrophobicContact CD1-CD2 3.88Å; L65-L80 HydrophobicContact CD1-CG 3.73Å
81R93.6Very high86.4Confident121 Ų12164.2 Ų64.246%0.45731%0.314SS..EExtended strand (participates in β ladder)trans-128.4103.2176.4-169.468.9172.1-174.3-0.6110.1T50 I51 V52 H53 I96T50-R81 HydrophobicContact CG2-CB 4.18Å; I51-R81 PolarHBondContact O-N 3.28Å; V52-R81 WeakPolarHBondContact CA-O 3.49Å; V52-R81 HydrophobicContact CG2-CB 4.24Å; H53-R81 PolarHBondContact N-O 2.82Å; H53-R81 VanDerWaalsContact N-O 3.1Å; R81-I96 HydrophobicContact CG-CG2 4.07Å
82E92.4Very high86.3Confident82 Ų8258.2 Ų58.238%0.38328%0.283SS..EExtended strand (participates in β ladder)trans-71.1130.3175-172.5176.6130.200110.7H53 K55 T58H53-E82 WeakPolarHBondContact O-CA 3.44Å; K55-E82 HydrophobicContact CB-CG 4.22Å; K55-E82 WeakPolarHBondContact CB-OE1 3.15Å; K55-E82 WeakPolarHBondContact CD-OE1 3.43Å; K55-E82 VanDerWaalsContact CG-OE1 3.28Å; K55-E82 WeakPolarHBondContact CG-OE1 3.45Å; T58-E82 PolarHBondContact OG1-OE2 3.24Å
83L88.6Confident86.1Confident9 Ų957.2 Ų57.25%0.04728%0.279CS..  trans-120.2131.5168.4-68.6-173000109V52 H53 N85 Y87 T92 R95V52-L83 HydrophobicContact CG1-CB 4.42Å; V52-L83 HydrophobicContact CG1-CD1 3.36Å; V52-L83 HydrophobicContact CG1-CG 3.8Å; H53-L83 PolarHBondContact O-N 3.05Å; L83-N85 PolarHBondContact O-N 2.93Å; L83-Y87 HydrophobicContact CB-CD2 3.88Å; L83-Y87 HydrophobicContact CB-CE2 3.88Å; L83-Y87 HydrophobicContact CD1-CD2 3.73Å; L83-Y87 HydrophobicContact CD1-CE2 4.35Å; L83-Y87 HydrophobicContact CD2-CE2 4.37Å; L83-Y87 HydrophobicContact CG-CD2 4.26Å; L83-Y87 HydrophobicContact CG-CE2 4.43Å; L83-T92 HydrophobicContact CD1-CG2 4.16Å; L83-R95 HydrophobicContact CD2-CB 4.26Å
84P80.9Confident85.8Confident88 Ų8859.3 Ų59.357%0.57129%0.286SS*.SBendtrans-73.8-28.9-170.726.4-35.7000114.2Y87P84-Y87 HydrophobicContact CG-CE2 4.45Å
85N77.3Confident85.6Confident96 Ų9656.3 Ų56.351%0.51326%0.263SS..SBendtrans-123.8159.9-176.1-60.6-38.9000109.7N8 L83 Y87N8-N85 PolarHBondContact ND2-O 3.38Å; L83-N85 PolarHBondContact O-N 2.93Å; N85-Y87 HydrophobicContact CB-CE1 4.23Å; N85-Y87 HydrophobicContact CB-CE2 4.13Å; N85-Y87 WeakPolarHBondContact O-CD2 3.47Å; N85-Y87 VanDerWaalsContact O-CE2 3.26Å; N85-Y87 WeakPolarHBondContact O-CE2 3.45Å; N85-Y87 PolarHBondContact O-N 3.28Å
86F75.7Confident85.5Confident131 Ų13150.5 Ų50.558%0.57524%0.241SC*.  trans-58.6127.5161.9177.6-87000109.1N8 A9N8-F86 WeakPolarHBondContact O-CD2 3.29Å; A9-F86 HydrophobicContact CB-CE2 3.82Å
87Y76.5Confident85.2Confident28 Ų2855 Ų5511%0.1126%0.257CS..  trans-123.4144.9176.7-69.4-64.2000109.1N8 L83 P84 N85 E91 R95N8-Y87 PolarHBondContact ND2-N 3.17Å; L83-Y87 HydrophobicContact CB-CD2 3.88Å; L83-Y87 HydrophobicContact CB-CE2 3.88Å; L83-Y87 HydrophobicContact CD1-CD2 3.73Å; L83-Y87 HydrophobicContact CD1-CE2 4.35Å; L83-Y87 HydrophobicContact CD2-CE2 4.37Å; L83-Y87 HydrophobicContact CG-CD2 4.26Å; L83-Y87 HydrophobicContact CG-CE2 4.43Å; P84-Y87 HydrophobicContact CG-CE2 4.45Å; N85-Y87 HydrophobicContact CB-CE1 4.23Å; N85-Y87 HydrophobicContact CB-CE2 4.13Å; N85-Y87 WeakPolarHBondContact O-CD2 3.47Å; N85-Y87 VanDerWaalsContact O-CE2 3.26Å; N85-Y87 WeakPolarHBondContact O-CE2 3.45Å; N85-Y87 PolarHBondContact O-N 3.28Å; Y87-E91 HydrophobicContact CD1-CB 4.1Å; Y87-E91 HydrophobicContact CG-CB 4.28Å; Y87-R95 VanDerWaalsContact CZ-CZ 3.48Å; Y87-R95 VanDerWaalsContact CZ-NE 3.29Å
88S75.6Confident85Confident14 Ų1454.1 Ų54.110%0.09827%0.266CS..  trans-57.1161167.162.50000110.6S90 E91 T92S88-S90 PolarHBondContact O-N 2.9Å; S88-E91 PolarHBondContact N-OE2 3.45Å; S88-E91 PolarHBondContact O-N 3.25Å; S88-E91 WeakPolarHBondContact OG-CB 3.32Å; S88-E91 VanDerWaalsContact OG-CG 3.28Å; S88-E91 WeakPolarHBondContact OG-CG 3.49Å; S88-E91 PolarHBondContact OG-N 3.39Å; S88-E91 PolarHBondContact OG-OE2 2.94Å; S88-T92 WeakPolarHBondContact O-CB 3.28Å; S88-T92 PolarHBondContact O-N 2.67Å; S88-T92 PolarHBondContact O-OG1 3.11Å
89L79.5Confident84.7Confident17 Ų1754.5 Ų54.59%0.08927%0.271CS..Hα-helixtrans-55.5-43.1175.5175.867.3000111.3I6 E91 T92 L93 I107 I226I6-L89 HydrophobicContact CD1-CD1 3.26Å; L89-E91 PolarHBondContact O-N 2.94Å; L89-T92 WeakPolarHBondContact O-CB 3.29Å; L89-T92 PolarHBondContact O-N 2.78Å; L89-L93 HydrophobicContact CD1-CD1 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.08Å; L89-L93 HydrophobicContact CG-CD1 3.98Å; L89-L93 HydrophobicContact CG-CG 4.28Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.14Å; L89-L93 PolarHBondContact O-N 3.31Å; L89-I107 HydrophobicContact CD1-CG2 4.21Å; L89-I226 HydrophobicContact CD2-CB 3.65Å; L89-I226 HydrophobicContact CD2-CD1 3.25Å; L89-I226 HydrophobicContact CD2-CG1 3.23Å
90S77.5Confident84.5Confident0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-58.9-49.4178.7-178.50000111.9S88 T92 L93 Q94 V212 G216S88-S90 PolarHBondContact O-N 2.9Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 3.05Å; S90-L93 PolarHBondContact O-N 3.43Å; S90-Q94 WeakPolarHBondContact O-CB 3.49Å; S90-Q94 PolarHBondContact O-N 3.3Å; S90-V212 PolarHBondContact OG-O 3.4Å; S90-G216 WeakPolarHBondContact OG-CA 3.47Å; S90-G216 PolarHBondContact OG-N 2.64Å
91E81.2Confident84.4Confident42 Ų4255.8 Ų55.820%0.19628%0.282CS..Hα-helixtrans-64.7-35.4177.7-77.8172.5133.300112.7Y87 S88 L89 R95Y87-E91 HydrophobicContact CD1-CB 4.1Å; Y87-E91 HydrophobicContact CG-CB 4.28Å; S88-E91 PolarHBondContact N-OE2 3.45Å; S88-E91 PolarHBondContact O-N 3.25Å; S88-E91 WeakPolarHBondContact OG-CB 3.32Å; S88-E91 VanDerWaalsContact OG-CG 3.28Å; S88-E91 WeakPolarHBondContact OG-CG 3.49Å; S88-E91 PolarHBondContact OG-N 3.39Å; S88-E91 PolarHBondContact OG-OE2 2.94Å; L89-E91 PolarHBondContact O-N 2.94Å; E91-R95 WeakPolarHBondContact O-CB 3.38Å; E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 3.43Å; E91-R95 VanDerWaalsContact O-N 3.07Å; E91-R95 PolarHBondContact O-NH1 2.91Å
92T85.1Confident84.3Confident1 Ų151.3 Ų51.31%0.00627%0.269CS..Hα-helixtrans-63.9-50.5174.4-62.80000110V52 L83 S88 L89 S90 Q94 R95 I96V52-T92 HydrophobicContact CB-CG2 4.37Å; V52-T92 HydrophobicContact CG1-CG2 3.97Å; V52-T92 HydrophobicContact CG2-CG2 4.09Å; L83-T92 HydrophobicContact CD1-CG2 4.16Å; S88-T92 WeakPolarHBondContact O-CB 3.28Å; S88-T92 PolarHBondContact O-N 2.67Å; S88-T92 PolarHBondContact O-OG1 3.11Å; L89-T92 WeakPolarHBondContact O-CB 3.29Å; L89-T92 PolarHBondContact O-N 2.78Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 3.05Å; T92-Q94 VanDerWaalsContact C-N 3.32Å; T92-Q94 PolarHBondContact O-N 3.23Å; T92-R95 PolarHBondContact O-N 2.67Å; T92-I96 WeakPolarHBondContact O-CG1 3.48Å; T92-I96 PolarHBondContact O-N 3.39Å; T92-I96 VanDerWaalsContact O-N 3.08Å
93L86Confident84.2Confident4 Ų452.7 Ų52.72%0.02128%0.279CS..Hα-helixtrans-60-40.1177.6-71.5176.9000112.2L4 L89 S90 I96 R97 I100 L105 I107 L209 V212L4-L93 HydrophobicContact CD2-CD2 3.76Å; L89-L93 HydrophobicContact CD1-CD1 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.08Å; L89-L93 HydrophobicContact CG-CD1 3.98Å; L89-L93 HydrophobicContact CG-CG 4.28Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 VanDerWaalsContact O-CG 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.14Å; L89-L93 PolarHBondContact O-N 3.31Å; S90-L93 PolarHBondContact O-N 3.43Å; L93-I96 HydrophobicContact CD2-CD1 4.35Å; L93-I96 PolarHBondContact O-N 2.93Å; L93-R97 WeakPolarHBondContact O-CA 3.49Å; L93-R97 PolarHBondContact O-N 2.64Å; L93-I100 HydrophobicContact CD2-CD1 4.29Å; L93-L105 HydrophobicContact CD2-CD2 4.17Å; L93-I107 HydrophobicContact CD1-CD1 4.4Å; L93-I107 HydrophobicContact CD2-CD1 4.03Å; L93-L209 HydrophobicContact CD1-CD2 3.9Å; L93-L209 HydrophobicContact CD2-CD2 4.03Å; L93-V212 HydrophobicContact CD1-CG1 4.03Å
94Q84.7Confident84.4Confident78 Ų7855.7 Ų55.736%0.36429%0.29SS..Hα-helixtrans-63.1-42.6176-168.3-17719.700111.7S90 T92 I96 R97S90-Q94 WeakPolarHBondContact O-CB 3.49Å; S90-Q94 PolarHBondContact O-N 3.3Å; T92-Q94 VanDerWaalsContact C-N 3.32Å; T92-Q94 PolarHBondContact O-N 3.23Å; Q94-I96 PolarHBondContact O-N 3.28Å; Q94-R97 VanDerWaalsContact O-CB 3.22Å; Q94-R97 WeakPolarHBondContact O-CB 3.48Å; Q94-R97 PolarHBondContact O-N 3.31Å
95R86.7Confident85.1Confident90 Ų9051.7 Ų51.734%0.3426%0.264SS..Hα-helixtrans-70.4-28.5-179.5-77.2171.717171.70.1114L83 Y87 E91 T92L83-R95 HydrophobicContact CD2-CB 4.26Å; Y87-R95 VanDerWaalsContact CZ-CZ 3.48Å; Y87-R95 VanDerWaalsContact CZ-NE 3.29Å; E91-R95 WeakPolarHBondContact O-CB 3.38Å; E91-R95 VanDerWaalsContact O-CG 3.29Å; E91-R95 WeakPolarHBondContact O-CG 3.41Å; E91-R95 PolarHBondContact O-N 3.43Å; E91-R95 VanDerWaalsContact O-N 3.07Å; E91-R95 PolarHBondContact O-NH1 2.91Å; T92-R95 PolarHBondContact O-N 2.67Å
96I87.9Confident85.9Confident2 Ų247.2 Ų47.21%0.0124%0.24CC..THydrogen-bonded Turntrans-99.75.5176.972.7176.5000112.7L4 V52 R81 T92 L93 Q94 S98 S99 I100L4-I96 HydrophobicContact CD1-CD1 3.46Å; L4-I96 VanDerWaalsContact CD1-CD1 3.46Å; L4-I96 HydrophobicContact CD2-CD1 3.53Å; L4-I96 HydrophobicContact CG-CD1 4.08Å; V52-I96 HydrophobicContact CG2-CG2 3.91Å; R81-I96 HydrophobicContact CG-CG2 4.07Å; T92-I96 WeakPolarHBondContact O-CG1 3.48Å; T92-I96 PolarHBondContact O-N 3.39Å; T92-I96 VanDerWaalsContact O-N 3.08Å; L93-I96 HydrophobicContact CD2-CD1 4.35Å; L93-I96 PolarHBondContact O-N 2.93Å; Q94-I96 PolarHBondContact O-N 3.28Å; I96-S98 PolarHBondContact O-N 3.43Å; I96-S99 PolarHBondContact O-N 3.22Å; I96-S99 PolarHBondContact O-OG 3.26Å; I96-I100 HydrophobicContact CD1-CD1 4.09Å; I96-I100 HydrophobicContact CD1-CG1 4.41Å; I96-I100 HydrophobicContact CG1-CD1 3.85Å; I96-I100 HydrophobicContact CG1-CG1 4.24Å; I96-I100 PolarHBondContact O-N 2.82Å
97R87Confident86.8Confident97 Ų9741 Ų4137%0.36621%0.213SC..THydrogen-bonded Turntrans-51.4-36-175.9-176.9-178.21797711.7112.9L93 Q94 S99 D210L93-R97 WeakPolarHBondContact O-CA 3.49Å; L93-R97 PolarHBondContact O-N 2.64Å; Q94-R97 VanDerWaalsContact O-CB 3.22Å; Q94-R97 WeakPolarHBondContact O-CB 3.48Å; Q94-R97 PolarHBondContact O-N 3.31Å; R97-S99 VanDerWaalsContact C-N 3.34Å; R97-D210 IonicContact CZ-OD1 3.21Å; R97-D210 IonicContact NH1-OD1 2.67Å; R97-D210 PolarHBondContact NH1-OD1 3.24Å; R97-D210 IonicContact NH2-OD1 2.8Å; R97-D210 PolarHBondContact NH2-OD1 3.48Å; R97-D210 IonicContact NH2-OD2 3.68Å
98S87.3Confident87.6Confident103 Ų10339.6 Ų39.672%0.7221%0.208SC*.THydrogen-bonded Turntrans-71.6-22.8179.762.30000114.2I96I96-S98 PolarHBondContact O-N 3.43Å
99S88.9Confident88.4Confident42 Ų4239.7 Ų39.729%0.29421%0.206SC..THydrogen-bonded Turntrans-90.9-18.6177.664.90000112.9Q2 I96 R97 T101Q2-S99 PolarHBondContact NE2-O 3.04Å; I96-S99 PolarHBondContact O-N 3.22Å; I96-S99 PolarHBondContact O-OG 3.26Å; R97-S99 VanDerWaalsContact C-N 3.34Å; S99-T101 PolarHBondContact O-N 2.97Å
100I88.8Confident88.9Confident15 Ų1538.9 Ų38.98%0.07720%0.202CC..  trans-78.6111.3175.7-54.5165.5000108.2L93 I96 L105 R206 L209L93-I100 HydrophobicContact CD2-CD1 4.29Å; I96-I100 HydrophobicContact CD1-CD1 4.09Å; I96-I100 HydrophobicContact CD1-CG1 4.41Å; I96-I100 HydrophobicContact CG1-CD1 3.85Å; I96-I100 HydrophobicContact CG1-CG1 4.24Å; I96-I100 PolarHBondContact O-N 2.82Å; I100-L105 HydrophobicContact CD1-CD2 3.75Å; I100-L105 HydrophobicContact CG1-CD2 4.16Å; I100-L105 HydrophobicContact CG2-CD2 4.37Å; I100-R206 VanDerWaalsContact CG2-NH1 3.28Å; I100-R206 PolarHBondContact O-NH1 2.99Å; I100-L209 HydrophobicContact CG2-CD1 4.24Å
101T90.9Very high89.4Confident111 Ų11139.1 Ų39.168%0.68120%0.203SC*.  trans-110.5-22.3178.1590000112.5Q2 S99Q2-T101 PolarHBondContact NE2-OG1 3.38Å; S99-T101 PolarHBondContact O-N 2.97Å
102S91.1Very high89.9Confident28 Ų2837.1 Ų37.120%0.19619%0.194CC..SBendtrans-77.4149.7-176.6-159.20000112.1Y104S102-Y104 WeakPolarHBondContact CB-O 3.48Å; S102-Y104 PolarHBondContact O-N 2.83Å; S102-Y104 PolarHBondContact OG-O 2.89Å
103N91.8Very high90.3Very high111 Ų11137.2 Ų37.259%0.59419%0.194SC*.SBendtrans-68.6-17.5172-72.5-23.1000112.8S205 R206N103-S205 CarbonylContact O-C 3.58Å; N103-R206 WeakPolarHBondContact O-CB 3.5Å; N103-R206 PolarHBondContact O-N 3.28Å
104Y93.1Very high90.6Very high71 Ų7137 Ų3728%0.27819%0.193SC..EExtended strand (participates in β ladder)trans-137.3134.9-178.2-54.1-80.3000109.4M1 S102 F123 M126 V204M1-Y104 HydrophobicContact CE-CG 4.45Å; S102-Y104 WeakPolarHBondContact CB-O 3.48Å; S102-Y104 PolarHBondContact O-N 2.83Å; S102-Y104 PolarHBondContact OG-O 2.89Å; Y104-F123 HydrophobicContact CD1-CE2 4.18Å; Y104-F123 AromaticContact CD2-CE2 3.7Å; Y104-F123 HydrophobicContact CD2-CE2 3.7Å; Y104-F123 HydrophobicContact CD2-CZ 4.45Å; Y104-F123 HydrophobicContact CE1-CE2 4.18Å; Y104-F123 AromaticContact CE2-CE2 3.7Å; Y104-F123 HydrophobicContact CE2-CE2 3.7Å; Y104-F123 HydrophobicContact CE2-CZ 4.1Å; Y104-F123 AromaticContact CG-CE2 3.94Å; Y104-F123 HydrophobicContact CG-CE2 3.94Å; Y104-F123 AromaticContact CZ-CE2 3.94Å; Y104-M126 HydrophobicContact CD1-SD 3.57Å; Y104-M126 VanDerWaalsContact CD1-SD 3.57Å; Y104-M126 HydrophobicContact CE1-SD 3.68Å; Y104-V204 WeakPolarHBondContact CA-O 3.23Å
105L94.3Very high90.7Very high4 Ų433.5 Ų33.52%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-125.9124.3-179.3-175.765.9000109.4Q2 L4 L93 I100 I107 V204 L209Q2-L105 HydrophobicContact CB-CD1 3.71Å; L4-L105 HydrophobicContact CB-CD1 4.25Å; L4-L105 HydrophobicContact CB-CD2 4.3Å; L4-L105 HydrophobicContact CB-CG 4.39Å; L4-L105 HydrophobicContact CD2-CD2 4.45Å; L93-L105 HydrophobicContact CD2-CD2 4.17Å; I100-L105 HydrophobicContact CD1-CD2 3.75Å; I100-L105 HydrophobicContact CG1-CD2 4.16Å; I100-L105 HydrophobicContact CG2-CD2 4.37Å; L105-I107 HydrophobicContact CD2-CD1 4.18Å; L105-I107 HydrophobicContact CD2-CG1 3.96Å; L105-I107 HydrophobicContact CG-CG1 3.99Å; L105-V204 PolarHBondContact N-O 3.5Å; L105-V204 PolarHBondContact O-N 3.35Å; L105-L209 HydrophobicContact CB-CD1 3.75Å; L105-L209 HydrophobicContact CD2-CD1 3.96Å; L105-L209 HydrophobicContact CD2-CD2 4.09Å
106F95.3Very high90.6Very high2 Ų234.3 Ų34.31%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-77.7134.5163.2-74.9-76.5000109.4M1 Q2 A3 L4 I46 L119 I122 L201 Y202 L203M1-F106 HydrophobicContact CE-CD2 3.97Å; M1-F106 HydrophobicContact CE-CE2 3.3Å; M1-F106 HydrophobicContact CE-CZ 3.96Å; M1-F106 HydrophobicContact SD-CE2 3.81Å; Q2-F106 PolarHBondContact O-N 2.92Å; A3-F106 CarbonylContact C-O 3.52Å; A3-F106 VanDerWaalsContact CA-O 3.28Å; A3-F106 WeakPolarHBondContact CA-O 3.28Å; A3-F106 HydrophobicContact CB-CB 3.98Å; L4-F106 PolarHBondContact N-O 2.91Å; I46-F106 HydrophobicContact CD1-CD2 3.62Å; I46-F106 HydrophobicContact CD1-CE2 4.09Å; I46-F106 HydrophobicContact CD1-CG 4.34Å; F106-L119 HydrophobicContact CD1-CD1 4.5Å; F106-L119 HydrophobicContact CD1-CD2 4.42Å; F106-L119 HydrophobicContact CD2-CD1 4.35Å; F106-L119 HydrophobicContact CE1-CB 4.1Å; F106-L119 HydrophobicContact CE1-CD1 4.43Å; F106-L119 HydrophobicContact CE1-CD2 4.09Å; F106-L119 HydrophobicContact CE1-CG 4.45Å; F106-L119 HydrophobicContact CE2-CB 4.13Å; F106-L119 HydrophobicContact CE2-CD1 4.27Å; F106-L119 HydrophobicContact CG-CD1 4.46Å; F106-L119 HydrophobicContact CZ-CB 3.67Å; F106-L119 HydrophobicContact CZ-CD1 4.33Å; F106-L119 HydrophobicContact CZ-CG 4.4Å; F106-I122 HydrophobicContact CE1-CB 4.23Å; F106-I122 HydrophobicContact CE1-CD1 4.2Å; F106-I122 HydrophobicContact CE1-CG2 4.11Å; F106-L201 HydrophobicContact CD1-CD1 4.31Å; F106-Y202 CarbonylContact C-O 3.6Å; F106-Y202 VanDerWaalsContact CA-O 3.28Å; F106-Y202 WeakPolarHBondContact CA-O 3.44Å; F106-L203 HydrophobicContact CD1-CB 4.01Å; F106-L203 HydrophobicContact CD1-CD1 3.89Å; F106-L203 HydrophobicContact CD1-CG 4.48Å; F106-L203 HydrophobicContact CD2-CD1 4.05Å; F106-L203 HydrophobicContact CE1-CB 3.8Å; F106-L203 HydrophobicContact CE1-CD1 3.75Å; F106-L203 HydrophobicContact CE1-CD2 4.23Å; F106-L203 HydrophobicContact CE1-CG 4.12Å; F106-L203 HydrophobicContact CE2-CD1 3.92Å; F106-L203 HydrophobicContact CG-CD1 4.04Å; F106-L203 HydrophobicContact CZ-CD1 3.75Å; F106-L203 HydrophobicContact CZ-CD2 4.18Å; F106-L203 HydrophobicContact CZ-CG 4.35Å
107I93.8Very high90.7Very high0 Ų034.9 Ų34.90%019%0.188CC..EExtended strand (participates in β ladder)trans-124.6128.8177.3-57.1177.1000107.6L4 I6 L89 L93 L105 L201 Y202 V204 L209L4-I107 HydrophobicContact CB-CG1 4.37Å; L4-I107 HydrophobicContact CD2-CG1 4.31Å; L4-I107 HydrophobicContact CD2-CG2 4.29Å; L4-I107 WeakPolarHBondContact O-CA 3.41Å; I6-I107 HydrophobicContact CD1-CG2 3.93Å; L89-I107 HydrophobicContact CD1-CG2 4.21Å; L93-I107 HydrophobicContact CD1-CD1 4.4Å; L93-I107 HydrophobicContact CD2-CD1 4.03Å; L105-I107 HydrophobicContact CD2-CD1 4.18Å; L105-I107 HydrophobicContact CD2-CG1 3.96Å; L105-I107 HydrophobicContact CG-CG1 3.99Å; I107-L201 WeakPolarHBondContact O-CA 3.35Å; I107-Y202 HydrophobicContact CB-CD2 4.38Å; I107-Y202 HydrophobicContact CG2-CD2 4.48Å; I107-Y202 PolarHBondContact N-O 3.4Å; I107-Y202 WeakPolarHBondContact O-CD2 3.49Å; I107-Y202 PolarHBondContact O-N 2.92Å; I107-V204 HydrophobicContact CD1-CB 4.5Å; I107-V204 HydrophobicContact CD1-CG2 3.83Å; I107-V204 HydrophobicContact CG1-CG2 4.44Å; I107-L209 HydrophobicContact CD1-CD2 4.08Å
108T93.6Very high90.9Very high0 Ų033.7 Ų33.70%019%0.189CC..EExtended strand (participates in β ladder)trans-138.8159.5172.2-170.10000110.7L4 I5 I6 L37 F41 G200L4-T108 PolarHBondContact O-N 2.77Å; I5-T108 WeakPolarHBondContact CA-O 3.49Å; I5-T108 HydrophobicContact CB-CG2 4.37Å; I5-T108 HydrophobicContact CG1-CG2 3.86Å; I5-T108 HydrophobicContact CG2-CG2 4.42Å; I6-T108 PolarHBondContact N-O 3.21Å; L37-T108 HydrophobicContact CD1-CG2 4.24Å; L37-T108 HydrophobicContact CD2-CG2 4.32Å; F41-T108 HydrophobicContact CE2-CG2 4.33Å; F41-T108 HydrophobicContact CZ-CG2 3.84Å; T108-G200 WeakPolarHBondContact CA-O 3.41Å
109Y91.2Very high91.2Very high16 Ų1629 Ų296%0.06316%0.155CC..EExtended strand (participates in β ladder)trans-93.6158168.8-59.1-84.7000110.4I6 A9 N111 T112 Y202 K279I6-Y109 HydrophobicContact CB-CD1 3.97Å; I6-Y109 HydrophobicContact CB-CE1 4.33Å; I6-Y109 HydrophobicContact CD1-CE1 4.14Å; I6-Y109 HydrophobicContact CG2-CD1 4.27Å; I6-Y109 HydrophobicContact CG2-CE1 4.41Å; A9-Y109 HydrophobicContact CB-CD1 4.19Å; A9-Y109 HydrophobicContact CB-CE1 4.17Å; Y109-N111 VanDerWaalsContact C-N 3.26Å; Y109-N111 WeakPolarHBondContact CB-OD1 3.3Å; Y109-N111 PolarHBondContact O-N 3.28Å; Y109-T112 WeakPolarHBondContact O-CB 3.42Å; Y109-T112 PolarHBondContact O-N 3.18Å; Y109-Y202 HydrophobicContact CD2-CE2 4.42Å; Y109-Y202 AromaticContact CE2-CE2 3.78Å; Y109-Y202 HydrophobicContact CE2-CE2 3.78Å; Y109-K279 HydrophobicContact CD2-CD 4.15Å
110S90.4Very high91.4Very high0 Ų034.4 Ų34.40%017%0.169CC..THydrogen-bonded Turntrans-72.6-18.4176.956.80000114.5I6 C7 E10 V33 T112I6-S110 PolarHBondContact O-N 3.01Å; I6-S110 VanDerWaalsContact O-N 3.09Å; I6-S110 PolarHBondContact O-OG 3.34Å; C7-S110 WeakPolarHBondContact CA-OG 3.22Å; C7-S110 VanDerWaalsContact SG-CB 3.6Å; E10-S110 WeakPolarHBondContact CG-OG 3.16Å; E10-S110 VanDerWaalsContact OE1-CB 3.28Å; E10-S110 WeakPolarHBondContact OE1-CB 3.39Å; E10-S110 PolarHBondContact OE1-OG 3.49Å; V33-S110 WeakPolarHBondContact CG1-O 3.13Å; S110-T112 VanDerWaalsContact C-N 3.31Å
111N89.7Confident91.5Very high5 Ų537.2 Ų37.23%0.02718%0.184CC..THydrogen-bonded Turntrans-93.31517564.8-18000112.6L14 A23 Y109 F280L14-N111 HydrophobicContact CD1-CB 3.97Å; A23-N111 HydrophobicContact CB-CB 4.45Å; Y109-N111 VanDerWaalsContact C-N 3.26Å; Y109-N111 WeakPolarHBondContact CB-OD1 3.3Å; Y109-N111 PolarHBondContact O-N 3.28Å; N111-F280 HydrophobicContact CB-CB 4.24Å; N111-F280 PolarHBondContact ND2-O 3.07Å; N111-F280 VanDerWaalsContact O-CD2 3.24Å; N111-F280 WeakPolarHBondContact O-CD2 3.42Å; N111-F280 WeakPolarHBondContact O-CG 3.32Å; N111-F280 PolarHBondContact O-N 3.44Å
112T91.4Very high91.7Very high0 Ų031.9 Ų31.90%015%0.152CC..EExtended strand (participates in β ladder)trans-97.5128.6176.1-76.40000110.3V33 Y109 S110 I114 C199V33-T112 WeakPolarHBondContact CG1-O 3.22Å; Y109-T112 WeakPolarHBondContact O-CB 3.42Å; Y109-T112 PolarHBondContact O-N 3.18Å; S110-T112 VanDerWaalsContact C-N 3.31Å; T112-I114 HydrophobicContact CG2-CD1 3.72Å; T112-I114 HydrophobicContact CG2-CG1 3.67Å; T112-C199 WeakPolarHBondContact CG2-O 3.26Å; T112-C199 PolarHBondContact OG1-O 3.23Å
113V92.8Very high91.8Very high2 Ų233.2 Ų33.21%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-109130.8168.1169.60000108.5L28 V33 S277 V278 F280 T289 I293L28-V113 HydrophobicContact CD1-CG2 4.02Å; L28-V113 HydrophobicContact CD2-CB 4.34Å; L28-V113 HydrophobicContact CD2-CG1 3.78Å; L28-V113 HydrophobicContact CD2-CG2 3.54Å; L28-V113 HydrophobicContact CG-CG2 4.43Å; V33-V113 HydrophobicContact CG1-CG2 3.88Å; V33-V113 HydrophobicContact CG2-CG2 4.2Å; V113-S277 CarbonylContact O-C 3.54Å; V113-S277 WeakPolarHBondContact O-CA 3.07Å; V113-V278 PolarHBondContact N-O 2.72Å; V113-V278 PolarHBondContact O-N 3.04Å; V113-F280 HydrophobicContact CB-CE2 4.41Å; V113-F280 HydrophobicContact CB-CZ 4.03Å; V113-F280 HydrophobicContact CG2-CE1 4.38Å; V113-F280 HydrophobicContact CG2-CE2 3.41Å; V113-F280 VanDerWaalsContact CG2-CE2 3.41Å; V113-F280 HydrophobicContact CG2-CZ 3.34Å; V113-T289 HydrophobicContact CG1-CG2 4.47Å; V113-I293 HydrophobicContact CG1-CD1 4.19Å
114I91.8Very high91.9Very high1 Ų130.6 Ų30.61%0.00514%0.14CC..  trans-128.2132.4174.5-64.4174.2000109.2I40 T112 I117 L201 S277I40-I114 HydrophobicContact CD1-CB 3.88Å; I40-I114 HydrophobicContact CD1-CG2 4.11Å; I40-I114 WeakPolarHBondContact CD1-O 3.38Å; T112-I114 HydrophobicContact CG2-CD1 3.72Å; T112-I114 HydrophobicContact CG2-CG1 3.67Å; I114-I117 HydrophobicContact CG2-CB 3.72Å; I114-I117 HydrophobicContact CG2-CD1 4.32Å; I114-I117 HydrophobicContact CG2-CG2 3.48Å; I114-I117 VanDerWaalsContact CG2-CG2 3.48Å; I114-L201 HydrophobicContact CD1-CB 3.29Å; I114-L201 HydrophobicContact CD1-CD2 3.43Å; I114-L201 VanDerWaalsContact CD1-CD2 3.43Å; I114-L201 HydrophobicContact CD1-CG 3.93Å; I114-S277 VanDerWaalsContact CA-OG 3.3Å; I114-S277 WeakPolarHBondContact CA-OG 3.28Å
115S87.3Confident91.8Very high3 Ų328.3 Ų28.32%0.02113%0.133CC..  trans-97.4113.7179.6-69.10000110.7H271 I276 S277S115-H271 PolarHBondContact O-CE1 3.33Å; S115-H271 PolarHBondContact O-NE2 3.32Å; S115-I276 WeakPolarHBondContact CB-O 3.39Å; S115-I276 PolarHBondContact OG-N 3.38Å; S115-I276 PolarHBondContact OG-O 3Å; S115-S277 PolarHBondContact N-OG 3.09Å
116E83.4Confident91.7Very high108 Ų10828.3 Ų28.351%0.50513%0.133SC..SBendtrans43.770.2169.4-64.7-177-16400114.4H271 K274E116-H271 PolarHBondContact O-CE1 3.11Å; E116-K274 VanDerWaalsContact OE2-CD 3.31Å; E116-K274 WeakPolarHBondContact OE2-CD 3.36Å; E116-K274 WeakPolarHBondContact OE2-CE 3.26Å; E116-K274 IonicContact OE2-NZ 2.83Å; E116-K274 PolarHBondContact OE2-NZ 3.39Å
117I91.3Very high91.5Very high14 Ų1432 Ų327%0.07215%0.152CC..  trans-106.8140.1174.5-164.6160.1000110.8I40 I114 L119 I122 V136 L201 H271I40-I117 HydrophobicContact CD1-CG2 4.21Å; I40-I117 HydrophobicContact CG2-CG2 3.63Å; I114-I117 HydrophobicContact CG2-CB 3.72Å; I114-I117 HydrophobicContact CG2-CD1 4.32Å; I114-I117 HydrophobicContact CG2-CG2 3.48Å; I114-I117 VanDerWaalsContact CG2-CG2 3.48Å; I117-L119 HydrophobicContact CG2-CD2 3.9Å; I117-I122 HydrophobicContact CD1-CD1 3.74Å; I117-I122 HydrophobicContact CD1-CG1 4.25Å; I117-I122 HydrophobicContact CG1-CD1 4.23Å; I117-V136 HydrophobicContact CD1-CG1 3.84Å; I117-V136 HydrophobicContact CD1-CG2 4.1Å; I117-L201 HydrophobicContact CD1-CD2 4.31Å; I117-L201 HydrophobicContact CG2-CD2 4.44Å; I117-H271 HydrophobicContact CD1-CB 4.27Å
118D90.3Very high91.3Very high72 Ų7240.2 Ų40.239%0.38518%0.183SC..  trans-93.2111.3167.4-174-7.3000109.2R120 D121D118-R120 PolarHBondContact O-N 3.13Å; D118-R120 WeakPolarHBondContact OD1-CB 3.31Å; D118-R120 PolarHBondContact OD1-N 3.25Å; D118-D121 PolarHBondContact O-N 3.48Å; D118-D121 VanDerWaalsContact O-N 3.07Å
119L93.9Very high91Very high4 Ų444.3 Ų44.32%0.02120%0.201CC..Hα-helixtrans-66.4-19179.9-59.7-173.8000112.7I40 F41 S44 I46 F106 I117 D121 I122 F123 L201I40-L119 HydrophobicContact CG2-CD1 4.04Å; I40-L119 HydrophobicContact CG2-CD2 4.06Å; I40-L119 HydrophobicContact CG2-CG 3.93Å; F41-L119 HydrophobicContact CD1-CD1 3.64Å; F41-L119 HydrophobicContact CE1-CD1 3.9Å; S44-L119 WeakPolarHBondContact OG-CB 3.28Å; S44-L119 VanDerWaalsContact OG-CG 3.27Å; S44-L119 WeakPolarHBondContact OG-CG 3.4Å; I46-L119 HydrophobicContact CD1-CD1 3.41Å; I46-L119 VanDerWaalsContact CD1-CD1 3.41Å; I46-L119 HydrophobicContact CG1-CD1 4.43Å; F106-L119 HydrophobicContact CD1-CD1 4.5Å; F106-L119 HydrophobicContact CD1-CD2 4.42Å; F106-L119 HydrophobicContact CD2-CD1 4.35Å; F106-L119 HydrophobicContact CE1-CB 4.1Å; F106-L119 HydrophobicContact CE1-CD1 4.43Å; F106-L119 HydrophobicContact CE1-CD2 4.09Å; F106-L119 HydrophobicContact CE1-CG 4.45Å; F106-L119 HydrophobicContact CE2-CB 4.13Å; F106-L119 HydrophobicContact CE2-CD1 4.27Å; F106-L119 HydrophobicContact CG-CD1 4.46Å; F106-L119 HydrophobicContact CZ-CB 3.67Å; F106-L119 HydrophobicContact CZ-CD1 4.33Å; F106-L119 HydrophobicContact CZ-CG 4.4Å; I117-L119 HydrophobicContact CG2-CD2 3.9Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 3.21Å; L119-I122 HydrophobicContact CD2-CD1 3.54Å; L119-I122 PolarHBondContact O-N 3.41Å; L119-F123 PolarHBondContact O-N 2.48Å; L119-L201 HydrophobicContact CD2-CD2 3.75Å
120R93Very high90.8Very high156 Ų15652.1 Ų52.159%0.58924%0.235SC*.Hα-helixtrans-61.3-38.7171.5-173.3179-66.8-179.80.3111.3D118 I122 F123 L124D118-R120 PolarHBondContact O-N 3.13Å; D118-R120 WeakPolarHBondContact OD1-CB 3.31Å; D118-R120 PolarHBondContact OD1-N 3.25Å; R120-I122 VanDerWaalsContact C-N 3.33Å; R120-I122 PolarHBondContact O-N 2.98Å; R120-F123 PolarHBondContact O-N 2.75Å; R120-L124 HydrophobicContact CG-CD1 4.11Å; R120-L124 HydrophobicContact CG-CG 4.35Å; R120-L124 WeakPolarHBondContact O-CB 3.46Å; R120-L124 VanDerWaalsContact O-CG 3.28Å; R120-L124 WeakPolarHBondContact O-CG 3.45Å; R120-L124 PolarHBondContact O-N 3Å
121D92.3Very high90.6Very high73 Ų7352.7 Ų52.739%0.3924%0.24SC..Hα-helixtrans-67.2-36.8179.8-76.8-23.2000111.8D118 L119 L124 T125D118-D121 PolarHBondContact O-N 3.48Å; D118-D121 VanDerWaalsContact O-N 3.07Å; L119-D121 VanDerWaalsContact C-N 3.28Å; L119-D121 PolarHBondContact O-N 3.21Å; D121-L124 PolarHBondContact O-N 3.38Å; D121-T125 WeakPolarHBondContact O-CB 3.28Å; D121-T125 PolarHBondContact O-N 2.49Å; D121-T125 PolarHBondContact O-OG1 3.45Å
122I93.8Very high90.6Very high0 Ų053 Ų530%024%0.243CC..Hα-helixtrans-63.3-46.4173-53.4175.1000109.9F106 I117 L119 R120 T125 M126 V134 V136 L201 L203F106-I122 HydrophobicContact CE1-CB 4.23Å; F106-I122 HydrophobicContact CE1-CD1 4.2Å; F106-I122 HydrophobicContact CE1-CG2 4.11Å; I117-I122 HydrophobicContact CD1-CD1 3.74Å; I117-I122 HydrophobicContact CD1-CG1 4.25Å; I117-I122 HydrophobicContact CG1-CD1 4.23Å; L119-I122 HydrophobicContact CD2-CD1 3.54Å; L119-I122 PolarHBondContact O-N 3.41Å; R120-I122 VanDerWaalsContact C-N 3.33Å; R120-I122 PolarHBondContact O-N 2.98Å; I122-T125 WeakPolarHBondContact O-CB 3.44Å; I122-T125 PolarHBondContact O-N 2.89Å; I122-M126 PolarHBondContact O-N 3.47Å; I122-V134 HydrophobicContact CG2-CB 3.86Å; I122-V134 HydrophobicContact CG2-CG1 3.69Å; I122-V134 HydrophobicContact CG2-CG2 4.47Å; I122-V136 HydrophobicContact CD1-CG2 3.57Å; I122-V136 HydrophobicContact CG1-CG2 4.19Å; I122-L201 HydrophobicContact CD1-CD2 3.79Å; I122-L201 HydrophobicContact CD1-CG 4.5Å; I122-L203 HydrophobicContact CG2-CB 3.84Å; I122-L203 HydrophobicContact CG2-CD2 4.14Å
123F93.8Very high90.6Very high56 Ų5653.2 Ų53.225%0.24624%0.244CC..Hα-helixtrans-61.1-46.3176.9-178.7-101.2000112.1M1 Y104 L119 R120 T125 M126 I127 L203M1-F123 HydrophobicContact CE-CD2 3.67Å; M1-F123 HydrophobicContact CE-CE2 4.22Å; M1-F123 HydrophobicContact CE-CG 4.43Å; M1-F123 HydrophobicContact SD-CD2 4.26Å; Y104-F123 HydrophobicContact CD1-CE2 4.18Å; Y104-F123 AromaticContact CD2-CE2 3.7Å; Y104-F123 HydrophobicContact CD2-CE2 3.7Å; Y104-F123 HydrophobicContact CD2-CZ 4.45Å; Y104-F123 HydrophobicContact CE1-CE2 4.18Å; Y104-F123 AromaticContact CE2-CE2 3.7Å; Y104-F123 HydrophobicContact CE2-CE2 3.7Å; Y104-F123 HydrophobicContact CE2-CZ 4.1Å; Y104-F123 AromaticContact CG-CE2 3.94Å; Y104-F123 HydrophobicContact CG-CE2 3.94Å; Y104-F123 AromaticContact CZ-CE2 3.94Å; L119-F123 PolarHBondContact O-N 2.48Å; R120-F123 PolarHBondContact O-N 2.75Å; F123-T125 VanDerWaalsContact C-N 3.26Å; F123-T125 PolarHBondContact O-N 3.4Å; F123-M126 VanDerWaalsContact O-CB 3.29Å; F123-M126 WeakPolarHBondContact O-CB 3.42Å; F123-M126 PolarHBondContact O-N 3.07Å; F123-M126 VanDerWaalsContact O-N 3.14Å; F123-I127 HydrophobicContact CD1-CG1 4.33Å; F123-I127 HydrophobicContact CE1-CD1 4.41Å; F123-I127 HydrophobicContact CE1-CG1 3.9Å; F123-I127 HydrophobicContact CE2-CD1 4.34Å; F123-I127 HydrophobicContact CE2-CG1 4.44Å; F123-I127 HydrophobicContact CZ-CD1 3.97Å; F123-I127 HydrophobicContact CZ-CG1 3.95Å; F123-I127 WeakPolarHBondContact O-CG1 3.22Å; F123-I127 PolarHBondContact O-N 3.2Å; F123-I127 VanDerWaalsContact O-N 3.12Å; F123-L203 HydrophobicContact CB-CD2 4.13Å; F123-L203 HydrophobicContact CD2-CD2 4.04Å
124L92.8Very high90.6Very high56 Ų5653.1 Ų53.129%0.29324%0.243SC..Hα-helixtrans-63-33.6176.1-69.3174000112.1R120 D121 I127 R128R120-L124 HydrophobicContact CG-CD1 4.11Å; R120-L124 HydrophobicContact CG-CG 4.35Å; R120-L124 WeakPolarHBondContact O-CB 3.46Å; R120-L124 VanDerWaalsContact O-CG 3.28Å; R120-L124 WeakPolarHBondContact O-CG 3.45Å; R120-L124 PolarHBondContact O-N 3Å; D121-L124 PolarHBondContact O-N 3.38Å; L124-I127 PolarHBondContact O-N 2.86Å; L124-R128 VanDerWaalsContact O-CB 3.32Å; L124-R128 WeakPolarHBondContact O-CB 3.5Å; L124-R128 WeakPolarHBondContact O-CG 3.07Å; L124-R128 PolarHBondContact O-N 2.9Å
125T91.2Very high90.6Very high23 Ų2353 Ų5314%0.14124%0.243CC..Hα-helixtrans-61.3-46.6173.2-57.30000110.6D121 I122 F123 I127 R128 K129 V134 H269D121-T125 WeakPolarHBondContact O-CB 3.28Å; D121-T125 PolarHBondContact O-N 2.49Å; D121-T125 PolarHBondContact O-OG1 3.45Å; I122-T125 WeakPolarHBondContact O-CB 3.44Å; I122-T125 PolarHBondContact O-N 2.89Å; F123-T125 VanDerWaalsContact C-N 3.26Å; F123-T125 PolarHBondContact O-N 3.4Å; T125-I127 VanDerWaalsContact C-N 3.35Å; T125-I127 PolarHBondContact O-N 3.46Å; T125-R128 PolarHBondContact O-N 2.84Å; T125-K129 HydrophobicContact CG2-CG 4.46Å; T125-K129 WeakPolarHBondContact O-CB 3.41Å; T125-K129 WeakPolarHBondContact O-CG 3.4Å; T125-K129 PolarHBondContact O-N 3.37Å; T125-V134 HydrophobicContact CG2-CG1 4.24Å; T125-H269 PolarHBondContact OG1-ND1 3.35Å
126M91.8Very high90.9Very high3 Ų352.9 Ų52.92%0.01524%0.242CC..Hα-helixtrans-54.9-50.3176.2-169.7175.5-97.700111.6Y104 I122 F123 K130 A131 S132 V134 L203Y104-M126 HydrophobicContact CD1-SD 3.57Å; Y104-M126 VanDerWaalsContact CD1-SD 3.57Å; Y104-M126 HydrophobicContact CE1-SD 3.68Å; I122-M126 PolarHBondContact O-N 3.47Å; F123-M126 VanDerWaalsContact O-CB 3.29Å; F123-M126 WeakPolarHBondContact O-CB 3.42Å; F123-M126 PolarHBondContact O-N 3.07Å; F123-M126 VanDerWaalsContact O-N 3.14Å; M126-K130 WeakPolarHBondContact O-CA 3.46Å; M126-K130 PolarHBondContact O-N 2.86Å; M126-A131 WeakPolarHBondContact CG-O 3Å; M126-A131 PolarHBondContact O-N 3.5Å; M126-S132 VanDerWaalsContact CE-O 3.3Å; M126-S132 WeakPolarHBondContact CE-O 3.36Å; M126-V134 HydrophobicContact CB-CG2 3.44Å; M126-V134 VanDerWaalsContact CB-CG2 3.44Å; M126-V134 HydrophobicContact CE-CG2 3.93Å; M126-V134 HydrophobicContact CG-CG2 3.94Å; M126-L203 HydrophobicContact CB-CD2 4.08Å; M126-L203 HydrophobicContact CE-CB 4.08Å; M126-L203 HydrophobicContact CE-CD2 3.91Å; M126-L203 HydrophobicContact CE-CG 3.55Å; M126-L203 WeakPolarHBondContact CE-O 3.5Å; M126-L203 HydrophobicContact SD-CD2 3.84Å; M126-L203 HydrophobicContact SD-CG 4Å
127I91.5Very high91.4Very high81 Ų8147.8 Ų47.842%0.41522%0.218SC..Hα-helixtrans-66.6-48.8-177-60.1-57.3000111.4F123 L124 T125 K129 K130F123-I127 HydrophobicContact CD1-CG1 4.33Å; F123-I127 HydrophobicContact CE1-CD1 4.41Å; F123-I127 HydrophobicContact CE1-CG1 3.9Å; F123-I127 HydrophobicContact CE2-CD1 4.34Å; F123-I127 HydrophobicContact CE2-CG1 4.44Å; F123-I127 HydrophobicContact CZ-CD1 3.97Å; F123-I127 HydrophobicContact CZ-CG1 3.95Å; F123-I127 WeakPolarHBondContact O-CG1 3.22Å; F123-I127 PolarHBondContact O-N 3.2Å; F123-I127 VanDerWaalsContact O-N 3.12Å; L124-I127 PolarHBondContact O-N 2.86Å; T125-I127 VanDerWaalsContact C-N 3.35Å; T125-I127 PolarHBondContact O-N 3.46Å; I127-K129 VanDerWaalsContact C-N 3.25Å; I127-K129 PolarHBondContact O-N 3.49Å; I127-K130 PolarHBondContact O-N 3.3Å
128R90.4Very high91.5Very high171 Ų17147.1 Ų47.165%0.64522%0.215SC*.Hα-helixtrans-60.6-36.1-178.9-73.7171.1-175.2139.4-0.6112.3L124 T125L124-R128 VanDerWaalsContact O-CB 3.32Å; L124-R128 WeakPolarHBondContact O-CB 3.5Å; L124-R128 WeakPolarHBondContact O-CG 3.07Å; L124-R128 PolarHBondContact O-N 2.9Å; T125-R128 PolarHBondContact O-N 2.84Å
129K86.5Confident91.6Very high86 Ų8646.7 Ų46.737%0.37422%0.215SC..Hα-helixtrans-94.4-1.9-177.8-60.7-62.4-175.9169.10113.6T125 I127 A131 D161 S163T125-K129 HydrophobicContact CG2-CG 4.46Å; T125-K129 WeakPolarHBondContact O-CB 3.41Å; T125-K129 WeakPolarHBondContact O-CG 3.4Å; T125-K129 PolarHBondContact O-N 3.37Å; I127-K129 VanDerWaalsContact C-N 3.25Å; I127-K129 PolarHBondContact O-N 3.49Å; K129-A131 HydrophobicContact CB-CB 4.44Å; K129-A131 PolarHBondContact O-N 2.94Å; K129-D161 IonicContact NZ-OD2 2.78Å; K129-D161 PolarHBondContact NZ-OD2 2.87Å; K129-S163 VanDerWaalsContact NZ-CB 3.33Å; K129-S163 PolarHBondContact NZ-OG 3.24Å
130K86.8Confident91.5Very high181 Ų18147.4 Ų47.479%0.78722%0.218SC*.THydrogen-bonded Turntrans49.338-173.5-57.8-176.9178.8-177.60112.1M126 I127M126-K130 WeakPolarHBondContact O-CA 3.46Å; M126-K130 PolarHBondContact O-N 2.86Å; I127-K130 PolarHBondContact O-N 3.3Å
131A87.4Confident91.4Very high12 Ų1241 Ų4110%0.09920%0.197CC..  trans-82.4151.1-179.100000110.4M126 K129 G265 C267M126-A131 WeakPolarHBondContact CG-O 3Å; M126-A131 PolarHBondContact O-N 3.5Å; K129-A131 HydrophobicContact CB-CB 4.44Å; K129-A131 PolarHBondContact O-N 2.94Å; A131-G265 CarbonylContact C-O 3.53Å; A131-G265 WeakPolarHBondContact CA-O 3.18Å; A131-G265 WeakPolarHBondContact CB-O 3.37Å; A131-C267 HydrophobicContact CB-CB 4.04Å; A131-C267 VanDerWaalsContact CB-SG 3.52Å
132S89.3Confident91.1Very high12 Ų1240.9 Ų40.98%0.08420%0.199CC..SBendtrans-91.5-18.7168-55.40000112.4M126 S205 G264 G265M126-S132 VanDerWaalsContact CE-O 3.3Å; M126-S132 WeakPolarHBondContact CE-O 3.36Å; S132-S205 WeakPolarHBondContact CB-OG 3.47Å; S132-S205 WeakPolarHBondContact O-CB 3.46Å; S132-S205 PolarHBondContact O-N 2.91Å; S132-S205 PolarHBondContact O-OG 3.24Å; S132-G264 WeakPolarHBondContact CB-O 3.48Å; S132-G264 PolarHBondContact N-O 3.47Å; S132-G264 VanDerWaalsContact N-O 3.15Å; S132-G264 VanDerWaalsContact OG-CA 3.3Å; S132-G264 WeakPolarHBondContact OG-CA 3.28Å; S132-G264 PolarHBondContact OG-N 2.91Å; S132-G264 PolarHBondContact OG-O 3.1Å; S132-G265 PolarHBondContact N-O 2.88Å
133V90.8Very high90.8Very high3 Ų347.1 Ų47.12%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-138.4132.5-179.4-173.60000109.2L203 V204 A208 F230 T266 C267V133-L203 CarbonylContact C-O 3.57Å; V133-L203 WeakPolarHBondContact CA-O 3.4Å; V133-V204 HydrophobicContact CG1-CG2 4.42Å; V133-V204 HydrophobicContact CG2-CG1 4.28Å; V133-A208 HydrophobicContact CG2-CB 3.93Å; V133-F230 HydrophobicContact CG1-CD2 4.13Å; V133-F230 HydrophobicContact CG1-CE1 4.5Å; V133-F230 HydrophobicContact CG1-CE2 4.02Å; V133-F230 HydrophobicContact CG1-CG 4.4Å; V133-F230 HydrophobicContact CG1-CZ 4.24Å; V133-F230 HydrophobicContact CG2-CD1 3.52Å; V133-F230 HydrophobicContact CG2-CD2 4.5Å; V133-F230 HydrophobicContact CG2-CE1 3.5Å; V133-F230 HydrophobicContact CG2-CE2 4.46Å; V133-F230 HydrophobicContact CG2-CG 4.05Å; V133-F230 HydrophobicContact CG2-CZ 4.01Å; V133-T266 HydrophobicContact CB-CG2 4.1Å; V133-T266 HydrophobicContact CG1-CG2 4.12Å; V133-T266 CarbonylContact O-C 3.56Å; V133-T266 WeakPolarHBondContact O-CA 3.39Å; V133-C267 PolarHBondContact O-N 3.1Å
134V93Very high90.4Very high0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-116.5129.6167-169.20000108.2I122 T125 M126 Y202 L203 C267 H269I122-V134 HydrophobicContact CG2-CB 3.86Å; I122-V134 HydrophobicContact CG2-CG1 3.69Å; I122-V134 HydrophobicContact CG2-CG2 4.47Å; T125-V134 HydrophobicContact CG2-CG1 4.24Å; M126-V134 HydrophobicContact CB-CG2 3.44Å; M126-V134 VanDerWaalsContact CB-CG2 3.44Å; M126-V134 HydrophobicContact CE-CG2 3.93Å; M126-V134 HydrophobicContact CG-CG2 3.94Å; V134-Y202 CarbonylContact O-C 3.56Å; V134-Y202 VanDerWaalsContact O-CA 3.27Å; V134-Y202 WeakPolarHBondContact O-CA 3.32Å; V134-L203 HydrophobicContact CB-CB 4.23Å; V134-L203 PolarHBondContact N-O 3.31Å; V134-L203 PolarHBondContact O-N 3.44Å; V134-C267 WeakPolarHBondContact CA-O 3.31Å; V134-C267 WeakPolarHBondContact CG2-SG 3.49Å; V134-H269 HydrophobicContact CG1-CB 3.7Å
135A92Very high90.1Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-116.5137.817400000111.2F137 Y202 W227 C267 H269A135-F137 HydrophobicContact CB-CD2 4.31Å; A135-F137 HydrophobicContact CB-CE2 3.82Å; A135-Y202 HydrophobicContact CB-CD1 3.66Å; A135-Y202 HydrophobicContact CB-CE1 4.06Å; A135-W227 HydrophobicContact CB-CH2 3.3Å; A135-W227 HydrophobicContact CB-CZ2 4.39Å; A135-W227 HydrophobicContact CB-CZ3 3.75Å; A135-C267 PolarHBondContact N-O 3.48Å; A135-H269 PolarHBondContact O-N 3.38Å
136V93.7Very high89.9Confident0 Ų054 Ų540%026%0.264CS..EExtended strand (participates in β ladder)trans-88.6123.9-178.9-178.80000110.1I117 I122 C199 L201 H269 H271I117-V136 HydrophobicContact CD1-CG1 3.84Å; I117-V136 HydrophobicContact CD1-CG2 4.1Å; I122-V136 HydrophobicContact CD1-CG2 3.57Å; I122-V136 HydrophobicContact CG1-CG2 4.19Å; V136-C199 HydrophobicContact CB-CB 4.47Å; V136-C199 HydrophobicContact CG1-CB 4.23Å; V136-C199 WeakPolarHBondContact O-CB 3.37Å; V136-C199 PolarHBondContact O-N 2.97Å; V136-L201 HydrophobicContact CB-CB 4.28Å; V136-L201 HydrophobicContact CG2-CB 4.21Å; V136-L201 HydrophobicContact CG2-CD2 3.97Å; V136-L201 HydrophobicContact CG2-CG 4.06Å; V136-L201 PolarHBondContact N-O 3.36Å; V136-H269 WeakPolarHBondContact CA-O 3.3Å; V136-H269 HydrophobicContact CG2-CB 4.49Å; V136-H271 HydrophobicContact CG1-CB 3.71Å
137F93Very high89.7Confident0 Ų056.5 Ų56.50%028%0.278CS..EExtended strand (participates in β ladder)trans-118.9148.5174.9-76.3-103.9000110.6A135 T156 L165 Y168 L196 R197 D198 W227 I268 H269 E270 H271A135-F137 HydrophobicContact CB-CD2 4.31Å; A135-F137 HydrophobicContact CB-CE2 3.82Å; F137-T156 HydrophobicContact CD1-CG2 3.85Å; F137-T156 HydrophobicContact CE1-CG2 3.48Å; F137-T156 VanDerWaalsContact CE1-CG2 3.48Å; F137-T156 HydrophobicContact CZ-CG2 4.06Å; F137-L165 HydrophobicContact CE2-CD2 4.29Å; F137-L165 HydrophobicContact CZ-CD2 4.37Å; F137-Y168 AromaticContact CE1-CD2 3.75Å; F137-Y168 HydrophobicContact CE1-CD2 3.75Å; F137-Y168 AromaticContact CE1-CE2 3.69Å; F137-Y168 HydrophobicContact CE1-CE2 3.69Å; F137-Y168 AromaticContact CZ-CD2 3.93Å; F137-Y168 HydrophobicContact CZ-CD2 3.93Å; F137-Y168 HydrophobicContact CZ-CE2 4.12Å; F137-L196 HydrophobicContact CB-CB 4.27Å; F137-L196 HydrophobicContact CB-CD2 4.46Å; F137-L196 HydrophobicContact CD1-CB 4.12Å; F137-R197 CarbonylContact C-O 3.48Å; F137-R197 WeakPolarHBondContact CA-O 3.1Å; F137-R197 WeakPolarHBondContact CB-O 3.38Å; F137-R197 VanDerWaalsContact CD1-O 3.3Å; F137-R197 WeakPolarHBondContact CD1-O 3.48Å; F137-D198 HydrophobicContact CE1-CB 4.12Å; F137-D198 HydrophobicContact CZ-CB 4.38Å; F137-W227 AromaticContact CE2-CH2 3.67Å; F137-W227 HydrophobicContact CE2-CH2 3.67Å; F137-W227 HydrophobicContact CE2-CZ2 4.1Å; F137-W227 AromaticContact CZ-CH2 3.66Å; F137-W227 HydrophobicContact CZ-CH2 3.66Å; F137-W227 AromaticContact CZ-CZ2 3.71Å; F137-W227 HydrophobicContact CZ-CZ2 3.71Å; F137-I268 HydrophobicContact CB-CG2 3.98Å; F137-I268 HydrophobicContact CD2-CB 4.25Å; F137-I268 HydrophobicContact CD2-CD1 3.83Å; F137-I268 HydrophobicContact CD2-CG1 3.77Å; F137-I268 HydrophobicContact CD2-CG2 3.77Å; F137-I268 HydrophobicContact CE2-CD1 3.84Å; F137-I268 HydrophobicContact CE2-CG1 3.78Å; F137-I268 HydrophobicContact CG-CD1 4.2Å; F137-I268 HydrophobicContact CG-CG2 4.12Å; F137-I268 HydrophobicContact CZ-CD1 4.25Å; F137-H269 PolarHBondContact N-O 2.9Å; F137-E270 CarbonylContact O-C 3.54Å; F137-E270 WeakPolarHBondContact O-CA 3.34Å; F137-H271 PolarHBondContact O-N 3.33Å
138S94Very high89.7Confident1 Ų152.8 Ų52.81%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-144.9162.7173.5-172.20000112R197 C199 H271 D273S138-R197 PolarHBondContact N-O 3.47Å; S138-R197 PolarHBondContact O-N 3.37Å; S138-C199 VanDerWaalsContact CB-SG 3.51Å; S138-H271 PolarHBondContact OG-O 3.26Å; S138-D273 WeakPolarHBondContact CB-OD2 3.18Å; S138-D273 VanDerWaalsContact OG-CG 3.27Å; S138-D273 PolarHBondContact OG-OD2 2.89Å
139T93.3Very high89.6Confident62 Ų6252.4 Ų52.438%0.3826%0.262SS..EExtended strand (participates in β ladder)trans-89.7139.4172.560.20000110.8D195 L196T139-D195 HydrophobicContact CG2-CB 4.48Å; T139-L196 HydrophobicContact CG2-CD2 3.97Å
140L91.7Very high89.7Confident19 Ų1952.2 Ų52.210%0.09927%0.271CS..  trans-78.6144.9173.6-66.5176.7000112T142 F148 I151 I276 V278L140-T142 VanDerWaalsContact C-N 3.27Å; L140-T142 HydrophobicContact CB-CG2 4.5Å; L140-T142 PolarHBondContact O-N 3.48Å; L140-F148 HydrophobicContact CB-CB 4.2Å; L140-F148 HydrophobicContact CD1-CB 4.33Å; L140-F148 HydrophobicContact CD1-CD1 4.42Å; L140-I151 HydrophobicContact CD1-CD1 4.02Å; L140-I276 HydrophobicContact CD2-CD1 4.3Å; L140-I276 HydrophobicContact CD2-CG1 4.48Å; L140-V278 HydrophobicContact CD2-CB 4.18Å; L140-V278 HydrophobicContact CD2-CG2 4.01Å
141P89.8Confident89.8Confident21 Ų2144.9 Ų44.914%0.13624%0.24CC..  trans-75.173.4177.631-35.2000112.1T143 E144 S145 F148 I276 L292P141-T143 VanDerWaalsContact C-N 3.25Å; P141-T143 PolarHBondContact O-N 3.26Å; P141-E144 PolarHBondContact O-N 2.87Å; P141-S145 PolarHBondContact O-N 2.85Å; P141-F148 HydrophobicContact CG-CD2 4Å; P141-F148 HydrophobicContact CG-CE2 4.26Å; P141-I276 HydrophobicContact CG-CD1 4.17Å; P141-I276 HydrophobicContact CG-CG1 4.49Å; P141-L292 HydrophobicContact CB-CD1 4.3Å; P141-L292 HydrophobicContact CG-CD1 3.39Å
142T87Confident89.9Confident71 Ų7148.6 Ų48.644%0.43626%0.263SS..THydrogen-bonded Turntrans-68.5-16.4-174.958.50000114.9L140 K149L140-T142 VanDerWaalsContact C-N 3.27Å; L140-T142 HydrophobicContact CB-CG2 4.5Å; L140-T142 PolarHBondContact O-N 3.48Å; T142-K149 HydrophobicContact CG2-CB 4.38Å
143T87.3Confident89.8Confident131 Ų13151 Ų5180%0.80428%0.28SS*.THydrogen-bonded Turntrans-75.8-30.2174.549.70000112.3P141P141-T143 VanDerWaalsContact C-N 3.25Å; P141-T143 PolarHBondContact O-N 3.26Å
144E84.2Confident89.7Confident82 Ų8251.3 Ų51.338%0.38328%0.281SS..THydrogen-bonded Turntrans-92.1-13.1-175.7-61.2177.2-158.300112.7P141 R291 L292 K296P141-E144 PolarHBondContact O-N 2.87Å; E144-R291 PolarHBondContact O-NH2 3.12Å; E144-L292 HydrophobicContact CB-CD2 3.98Å; E144-L292 WeakPolarHBondContact OE2-CD2 3.4Å; E144-K296 VanDerWaalsContact OE1-CE 3.22Å; E144-K296 WeakPolarHBondContact OE1-CE 3.43Å; E144-K296 IonicContact OE1-NZ 3.88Å; E144-K296 PolarHBondContact OE1-NZ 3.3Å; E144-K296 WeakPolarHBondContact OE2-CE 3.44Å; E144-K296 IonicContact OE2-NZ 3.74Å; E144-K296 PolarHBondContact OE2-NZ 2.89Å
145S86.8Confident89.4Confident5 Ų553.3 Ų53.34%0.03529%0.292CS..  trans-144.6124.8-175.9-177.60000113.5P141 L147 F148 K149 E288P141-S145 PolarHBondContact O-N 2.85Å; S145-L147 VanDerWaalsContact C-N 3.29Å; S145-L147 PolarHBondContact OG-N 3.47Å; S145-L147 VanDerWaalsContact OG-N 3.13Å; S145-F148 PolarHBondContact OG-N 3.31Å; S145-K149 PolarHBondContact O-N 2.76Å; S145-E288 WeakPolarHBondContact CB-OE1 3.3Å; S145-E288 VanDerWaalsContact OG-CD 3.28Å; S145-E288 WeakPolarHBondContact OG-CG 3Å; S145-E288 PolarHBondContact OG-OE1 2.96Å
146K87.7Confident89.2Confident192 Ų19253.4 Ų53.484%0.83529%0.292SS*.Hα-helixtrans-66.5-32.6169-65.7-177-178.9179.60112K149 S150K146-K149 PolarHBondContact O-N 3.4Å; K146-S150 PolarHBondContact O-N 2.74Å
147L88.6Confident88.8Confident56 Ų5653.4 Ų53.429%0.29329%0.292SS..Hα-helixtrans-65.5-51178.8-175.769.4000109.8S145 K149 S150 I151 L284 E288S145-L147 VanDerWaalsContact C-N 3.29Å; S145-L147 PolarHBondContact OG-N 3.47Å; S145-L147 VanDerWaalsContact OG-N 3.13Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 2.98Å; L147-S150 WeakPolarHBondContact O-CA 3.05Å; L147-S150 WeakPolarHBondContact O-CB 3.37Å; L147-S150 PolarHBondContact O-N 2.8Å; L147-S150 PolarHBondContact O-OG 2.89Å; L147-I151 WeakPolarHBondContact O-CG1 3.18Å; L147-I151 PolarHBondContact O-N 2.75Å; L147-L284 HydrophobicContact CD2-CB 4.09Å; L147-L284 WeakPolarHBondContact CD2-O 3.24Å; L147-E288 HydrophobicContact CB-CG 4.44Å; L147-E288 HydrophobicContact CD2-CB 3.84Å; L147-E288 HydrophobicContact CD2-CG 4.29Å
148F89.7Confident88.4Confident3 Ų353.6 Ų53.61%0.01329%0.294CS..Hα-helixtrans-61-34.3178.9-63-37.2000113.3L140 P141 S145 S150 I151 I276 I285 E288 L292L140-F148 HydrophobicContact CB-CB 4.2Å; L140-F148 HydrophobicContact CD1-CB 4.33Å; L140-F148 HydrophobicContact CD1-CD1 4.42Å; P141-F148 HydrophobicContact CG-CD2 4Å; P141-F148 HydrophobicContact CG-CE2 4.26Å; S145-F148 PolarHBondContact OG-N 3.31Å; F148-S150 PolarHBondContact O-N 3Å; F148-I151 HydrophobicContact CD1-CD1 3.78Å; F148-I151 PolarHBondContact O-N 3.03Å; F148-I276 HydrophobicContact CD2-CD1 4.34Å; F148-I276 HydrophobicContact CE1-CD1 4.16Å; F148-I276 HydrophobicContact CE2-CD1 3.6Å; F148-I276 HydrophobicContact CZ-CD1 3.48Å; F148-I276 VanDerWaalsContact CZ-CD1 3.48Å; F148-I285 HydrophobicContact CE1-CG2 4.1Å; F148-E288 HydrophobicContact CD2-CG 4.17Å; F148-E288 HydrophobicContact CE1-CB 4.09Å; F148-E288 HydrophobicContact CE1-CG 3.93Å; F148-E288 HydrophobicContact CE2-CB 4.34Å; F148-E288 HydrophobicContact CE2-CG 3.5Å; F148-E288 VanDerWaalsContact CE2-CG 3.5Å; F148-E288 HydrophobicContact CZ-CB 3.72Å; F148-E288 HydrophobicContact CZ-CG 3.37Å; F148-L292 HydrophobicContact CD2-CD1 4.17Å; F148-L292 HydrophobicContact CE2-CD1 3.49Å; F148-L292 VanDerWaalsContact CE2-CD1 3.49Å; F148-L292 HydrophobicContact CE2-CG 4.13Å; F148-L292 HydrophobicContact CZ-CD1 4.49Å
149K89.2Confident87.8Confident163 Ų16354.5 Ų54.571%0.70930%0.299SS*.Hα-helixtrans-65.1-28.5173.4-171.5175.5179.8177.90113.2T142 S145 K146 L147T142-K149 HydrophobicContact CG2-CB 4.38Å; S145-K149 PolarHBondContact O-N 2.76Å; K146-K149 PolarHBondContact O-N 3.4Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 2.98Å
150S89.2Confident87.1Confident82 Ų8256.4 Ų56.457%0.57331%0.307SS*.Hα-helixtrans-85.6-13.5-178.671.40000114.2K146 L147 F148K146-S150 PolarHBondContact O-N 2.74Å; L147-S150 WeakPolarHBondContact O-CA 3.05Å; L147-S150 WeakPolarHBondContact O-CB 3.37Å; L147-S150 PolarHBondContact O-N 2.8Å; L147-S150 PolarHBondContact O-OG 2.89Å; F148-S150 PolarHBondContact O-N 3Å
151I89Confident86.5Confident28 Ų2859.5 Ų59.514%0.14432%0.324CS..SBendtrans-67.9128.7-177.9-50-178.3000108.9L140 L147 F148 S153 R197 I285L140-I151 HydrophobicContact CD1-CD1 4.02Å; L147-I151 WeakPolarHBondContact O-CG1 3.18Å; L147-I151 PolarHBondContact O-N 2.75Å; F148-I151 HydrophobicContact CD1-CD1 3.78Å; F148-I151 PolarHBondContact O-N 3.03Å; I151-S153 PolarHBondContact O-N 2.55Å; I151-R197 PolarHBondContact O-NH2 2.87Å; I151-I285 HydrophobicContact CD1-CD1 3.83Å; I151-I285 HydrophobicContact CD1-CG1 3.88Å
152P88.7Confident85.9Confident89 Ų8963 Ų6358%0.57834%0.338SS*.PPolyproline II helixtrans-57.8123.5-178.1-28.236.7000113.1A171 R197P152-A171 HydrophobicContact CB-CB 3.91Å; P152-A171 WeakPolarHBondContact O-CB 3.04Å; P152-R197 VanDerWaalsContact O-CZ 3.27Å; P152-R197 PolarHBondContact O-NH1 3.23Å; P152-R197 PolarHBondContact O-NH2 2.85Å
153S87.4Confident85.5Confident63 Ų6360 Ų6044%0.44132%0.32SS..PPolyproline II helixtrans-57.8144.5-178.4-70.30000112.9I151 I174 S194I151-S153 PolarHBondContact O-N 2.55Å; S153-I174 WeakPolarHBondContact O-CD1 3.4Å; S153-S194 WeakPolarHBondContact CB-O 3.45Å; S153-S194 PolarHBondContact OG-O 3.31Å
154E87.9Confident85.3Confident9 Ų956.1 Ų56.14%0.04230%0.296CS..PPolyproline II helixtrans-88.9164.2165.6-68.8156.3-134.300109.4Y168 A171 S194 R197 D198E154-Y168 HydrophobicContact CB-CE2 3.81Å; E154-Y168 VanDerWaalsContact CD-OH 3.24Å; E154-Y168 HydrophobicContact CG-CE2 4.13Å; E154-Y168 WeakPolarHBondContact OE2-CE2 3.11Å; E154-Y168 VanDerWaalsContact OE2-CZ 3.32Å; E154-Y168 PolarHBondContact OE2-OH 3.31Å; E154-A171 HydrophobicContact CG-CB 4.26Å; E154-S194 VanDerWaalsContact O-CA 3.27Å; E154-S194 WeakPolarHBondContact O-CA 3.24Å; E154-R197 WeakPolarHBondContact OE1-CD 3.45Å; E154-R197 WeakPolarHBondContact OE1-CG 3.34Å; E154-R197 IonicContact OE1-CZ 3.44Å; E154-R197 IonicContact OE1-NE 2.7Å; E154-R197 IonicContact OE1-NH1 3.31Å; E154-R197 PolarHBondContact OE1-NH1 3.07Å; E154-D198 PolarHBondContact OE2-N 2.92Å; E154-D198 VanDerWaalsContact OE2-N 3.12Å
155L87.5Confident85.3Confident43 Ų4352.6 Ų52.623%0.22528%0.28CS..EExtended strand (participates in β ladder)trans-119120.7175.8-17967000110V157 Y168 V169 I174 C192L155-V157 HydrophobicContact CG-CG2 4.31Å; L155-Y168 CarbonylContact O-C 3.55Å; L155-Y168 VanDerWaalsContact O-CA 3.23Å; L155-Y168 WeakPolarHBondContact O-CA 3.22Å; L155-V169 HydrophobicContact CB-CB 4.19Å; L155-V169 HydrophobicContact CD2-CG2 4.4Å; L155-V169 PolarHBondContact N-O 3.03Å; L155-V169 PolarHBondContact O-N 3.08Å; L155-I174 HydrophobicContact CB-CD1 4.33Å; L155-C192 HydrophobicContact CD1-CB 4.21Å
156T87.2Confident84.9Confident1 Ų154.2 Ų54.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-106.4135.7170.4520000109.6F137 Y168 C192 R193 L196 I268F137-T156 HydrophobicContact CD1-CG2 3.85Å; F137-T156 HydrophobicContact CE1-CG2 3.48Å; F137-T156 VanDerWaalsContact CE1-CG2 3.48Å; F137-T156 HydrophobicContact CZ-CG2 4.06Å; T156-Y168 HydrophobicContact CG2-CD2 3.79Å; T156-C192 CarbonylContact O-C 3.59Å; T156-C192 WeakPolarHBondContact O-CA 3.49Å; T156-R193 PolarHBondContact N-O 3.18Å; T156-R193 PolarHBondContact O-N 3.26Å; T156-R193 WeakPolarHBondContact OG1-CB 3.45Å; T156-R193 PolarHBondContact OG1-O 3.22Å; T156-L196 HydrophobicContact CG2-CB 4.38Å; T156-I268 HydrophobicContact CG2-CD1 3.87Å
157V85.4Confident84.5Confident0 Ų046.4 Ų46.40%026%0.257CS..EExtended strand (participates in β ladder)trans-122.2113.4175.3-174.40000108.5L155 L165 I166 S167 L180 I190 L191L155-V157 HydrophobicContact CG-CG2 4.31Å; V157-L165 WeakPolarHBondContact O-CD1 3.27Å; V157-I166 HydrophobicContact CG1-CB 4.29Å; V157-I166 HydrophobicContact CG1-CD1 4.27Å; V157-I166 WeakPolarHBondContact O-CA 3.45Å; V157-I166 WeakPolarHBondContact O-CB 3.27Å; V157-I166 PolarHBondContact O-N 3.44Å; V157-S167 PolarHBondContact N-O 3.17Å; V157-S167 PolarHBondContact O-N 3.07Å; V157-L180 HydrophobicContact CG2-CD2 3.89Å; V157-I190 HydrophobicContact CG1-CB 4.2Å; V157-I190 HydrophobicContact CG1-CD1 4.15Å; V157-L191 CarbonylContact C-O 3.57Å; V157-L191 VanDerWaalsContact CA-O 3.27Å; V157-L191 WeakPolarHBondContact CA-O 3.37Å
158T84.3Confident84.2Confident4 Ų444.6 Ų44.63%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-121165.3-176.656.70000112.5T164 L165 I166 L191 I268T158-T164 CarbonylContact C-O 3.52Å; T158-T164 WeakPolarHBondContact CA-O 3.01Å; T158-T164 WeakPolarHBondContact CB-O 3.29Å; T158-L165 HydrophobicContact CG2-CD1 4.09Å; T158-I166 VanDerWaalsContact C-CD1 3.42Å; T158-I166 WeakPolarHBondContact O-CD1 3.5Å; T158-L191 PolarHBondContact N-O 2.8Å; T158-L191 PolarHBondContact O-N 2.71Å; T158-I268 HydrophobicContact CG2-CD1 3.72Å; T158-I268 HydrophobicContact CG2-CG1 4.29Å
159T82.1Confident83.9Confident20 Ų2045.5 Ų45.512%0.12325%0.252CS..EExtended strand (participates in β ladder)trans-62158.8164.947.10000110.8D161 H162 T164 I166T159-D161 WeakPolarHBondContact CB-OD1 3.42Å; T159-D161 PolarHBondContact O-N 3.31Å; T159-D161 PolarHBondContact OG1-OD1 2.64Å; T159-H162 WeakPolarHBondContact O-CA 3.31Å; T159-H162 PolarHBondContact O-N 2.88Å; T159-T164 PolarHBondContact N-O 3.07Å; T159-T164 WeakPolarHBondContact OG1-CB 3.26Å; T159-T164 PolarHBondContact OG1-N 2.68Å; T159-I166 HydrophobicContact CG2-CD1 4.2Å; T159-I166 HydrophobicContact CG2-CG1 4.27Å
160N78.7Confident83.6Confident103 Ų10339 Ų3955%0.55123%0.227SC*.THydrogen-bonded Turntrans-57.8-24.8-178.4-165.835.3000114.3H162 T189N160-H162 PolarHBondContact O-CD2 2.96Å; N160-H162 PolarHBondContact O-N 3.24Å; N160-T189 WeakPolarHBondContact CB-OG1 3.42Å
161D79.2Confident83.3Confident83 Ų8336.6 Ų36.644%0.44421%0.212SC..THydrogen-bonded Turntrans-81.512.5175.178.7-27.5000113.4K129 T159 S163K129-D161 IonicContact NZ-OD2 2.78Å; K129-D161 PolarHBondContact NZ-OD2 2.87Å; T159-D161 WeakPolarHBondContact CB-OD1 3.42Å; T159-D161 PolarHBondContact O-N 3.31Å; T159-D161 PolarHBondContact OG1-OD1 2.64Å; D161-S163 PolarHBondContact O-N 3.21Å; D161-S163 WeakPolarHBondContact OD1-CB 3.07Å; D161-S163 PolarHBondContact OD1-N 3.23Å; D161-S163 PolarHBondContact OD1-OG 3.42Å; D161-S163 WeakPolarHBondContact OD2-CB 3.45Å; D161-S163 PolarHBondContact OD2-OG 2.67Å
162H78Confident82.8Confident96 Ų9640.2 Ų40.244%0.44424%0.24SC..SBendtrans59.59.7-178.8-55.6-97.1000115.1T159 N160 L191T159-H162 WeakPolarHBondContact O-CA 3.31Å; T159-H162 PolarHBondContact O-N 2.88Å; N160-H162 PolarHBondContact O-CD2 2.96Å; N160-H162 PolarHBondContact O-N 3.24Å; H162-L191 WeakPolarHBondContact CE1-CD2 3.28Å; H162-L191 WeakPolarHBondContact ND1-CD2 3.36Å
163S77.9Confident82.3Confident7 Ų739.3 Ų39.35%0.04923%0.23CC..  trans-97.7-55.5-166.675.50000113.3K129 D161 C267 I268K129-S163 VanDerWaalsContact NZ-CB 3.33Å; K129-S163 PolarHBondContact NZ-OG 3.24Å; D161-S163 PolarHBondContact O-N 3.21Å; D161-S163 WeakPolarHBondContact OD1-CB 3.07Å; D161-S163 PolarHBondContact OD1-N 3.23Å; D161-S163 PolarHBondContact OD1-OG 3.42Å; D161-S163 WeakPolarHBondContact OD2-CB 3.45Å; D161-S163 PolarHBondContact OD2-OG 2.67Å; S163-C267 CarbonylContact O-C 3.58Å; S163-C267 WeakPolarHBondContact O-CA 3.46Å; S163-C267 WeakPolarHBondContact O-CB 3.07Å; S163-I268 PolarHBondContact O-N 2.97Å
164T83.6Confident81.9Confident49 Ų4939.9 Ų39.930%0.30123%0.227SC..BIsolated β-bridgetrans-89.3125.3-168.9-56.60000108.4T158 T159 I166T158-T164 CarbonylContact C-O 3.52Å; T158-T164 WeakPolarHBondContact CA-O 3.01Å; T158-T164 WeakPolarHBondContact CB-O 3.29Å; T159-T164 PolarHBondContact N-O 3.07Å; T159-T164 WeakPolarHBondContact OG1-CB 3.26Å; T159-T164 PolarHBondContact OG1-N 2.68Å; T164-I166 PolarHBondContact O-N 3.35Å
165L82.6Confident81.4Confident9 Ų947.1 Ų47.15%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-81.4113.8177.6-171.449.7000108.9F137 V157 T158 S167 W227 W231 T266 I268F137-L165 HydrophobicContact CE2-CD2 4.29Å; F137-L165 HydrophobicContact CZ-CD2 4.37Å; V157-L165 WeakPolarHBondContact O-CD1 3.27Å; T158-L165 HydrophobicContact CG2-CD1 4.09Å; L165-S167 VanDerWaalsContact CD1-O 3.28Å; L165-S167 WeakPolarHBondContact CD1-O 3.39Å; L165-W227 HydrophobicContact CD2-CZ3 4.45Å; L165-W231 HydrophobicContact CD2-CH2 4.2Å; L165-W231 HydrophobicContact CD2-CZ2 3.27Å; L165-W231 HydrophobicContact CG-CZ2 4.04Å; L165-T266 HydrophobicContact CB-CG2 4.14Å; L165-T266 HydrophobicContact CD2-CG2 4.13Å; L165-T266 PolarHBondContact N-O 3.32Å; L165-I268 HydrophobicContact CB-CG1 4.11Å; L165-I268 HydrophobicContact CD1-CD1 3.72Å; L165-I268 HydrophobicContact CD1-CG1 4.14Å; L165-I268 HydrophobicContact CD2-CD1 4.19Å; L165-I268 HydrophobicContact CD2-CG1 3.96Å; L165-I268 HydrophobicContact CG-CD1 4.4Å; L165-I268 HydrophobicContact CG-CG1 4.31Å
166I79.8Confident80.9Confident39 Ų3955.6 Ų55.620%0.229%0.293CS..EExtended strand (participates in β ladder)trans-86.4-44.1179.1-55.8164.7000109.5V157 T158 T159 T164 L184 I190V157-I166 HydrophobicContact CG1-CB 4.29Å; V157-I166 HydrophobicContact CG1-CD1 4.27Å; V157-I166 WeakPolarHBondContact O-CA 3.45Å; V157-I166 WeakPolarHBondContact O-CB 3.27Å; V157-I166 PolarHBondContact O-N 3.44Å; T158-I166 VanDerWaalsContact C-CD1 3.42Å; T158-I166 WeakPolarHBondContact O-CD1 3.5Å; T159-I166 HydrophobicContact CG2-CD1 4.2Å; T159-I166 HydrophobicContact CG2-CG1 4.27Å; T164-I166 PolarHBondContact O-N 3.35Å; I166-L184 HydrophobicContact CG2-CD1 3.58Å; I166-L184 HydrophobicContact CG2-CD2 4.07Å; I166-L184 HydrophobicContact CG2-CG 3.73Å; I166-I190 HydrophobicContact CD1-CB 4.26Å; I166-I190 HydrophobicContact CD1-CG2 3.59Å
167S79.1Confident80.2Confident28 Ų2863.5 Ų63.520%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-154.8147.1179.9-175.40000110V157 L165V157-S167 PolarHBondContact N-O 3.17Å; V157-S167 PolarHBondContact O-N 3.07Å; L165-S167 VanDerWaalsContact CD1-O 3.28Å; L165-S167 WeakPolarHBondContact CD1-O 3.39Å
168Y82Confident79.3Confident18 Ų1866 Ų667%0.07135%0.348CS..EExtended strand (participates in β ladder)trans-135.1142.2162.8150.8-71.4000110.6F137 E154 L155 T156 P170 W227 W231F137-Y168 AromaticContact CE1-CD2 3.75Å; F137-Y168 HydrophobicContact CE1-CD2 3.75Å; F137-Y168 AromaticContact CE1-CE2 3.69Å; F137-Y168 HydrophobicContact CE1-CE2 3.69Å; F137-Y168 AromaticContact CZ-CD2 3.93Å; F137-Y168 HydrophobicContact CZ-CD2 3.93Å; F137-Y168 HydrophobicContact CZ-CE2 4.12Å; E154-Y168 HydrophobicContact CB-CE2 3.81Å; E154-Y168 VanDerWaalsContact CD-OH 3.24Å; E154-Y168 HydrophobicContact CG-CE2 4.13Å; E154-Y168 WeakPolarHBondContact OE2-CE2 3.11Å; E154-Y168 VanDerWaalsContact OE2-CZ 3.32Å; E154-Y168 PolarHBondContact OE2-OH 3.31Å; L155-Y168 CarbonylContact O-C 3.55Å; L155-Y168 VanDerWaalsContact O-CA 3.23Å; L155-Y168 WeakPolarHBondContact O-CA 3.22Å; T156-Y168 HydrophobicContact CG2-CD2 3.79Å; Y168-P170 HydrophobicContact CE1-CB 3.86Å; Y168-P170 HydrophobicContact CE1-CG 4.34Å; Y168-W227 HydrophobicContact CD1-CB 4.46Å; Y168-W227 HydrophobicContact CD1-CD2 4.41Å; Y168-W227 HydrophobicContact CD1-CG 4.07Å; Y168-W227 AromaticContact CE1-CD1 3.42Å; Y168-W227 VanDerWaalsContact CE1-CD1 3.42Å; Y168-W227 HydrophobicContact CE1-CD2 4.41Å; Y168-W227 AromaticContact CE1-CG 3.95Å; Y168-W227 HydrophobicContact CE1-CG 3.95Å; Y168-W227 AromaticContact CE1-NE1 3.56Å; Y168-W227 AromaticContact CZ-NE1 3.94Å; Y168-W231 VanDerWaalsContact CB-CZ3 3.49Å; Y168-W231 AromaticContact CD1-CH2 3.25Å; Y168-W231 HydrophobicContact CD1-CH2 3.25Å; Y168-W231 HydrophobicContact CD1-CZ2 4.5Å; Y168-W231 AromaticContact CD1-CZ3 3.42Å; Y168-W231 HydrophobicContact CD1-CZ3 3.42Å; Y168-W231 VanDerWaalsContact CD1-CZ3 3.42Å; Y168-W231 HydrophobicContact CE1-CH2 4.25Å; Y168-W231 AromaticContact CG-CH2 3.46Å; Y168-W231 HydrophobicContact CG-CH2 3.46Å; Y168-W231 VanDerWaalsContact CG-CH2 3.46Å; Y168-W231 HydrophobicContact CG-CZ2 4.44Å; Y168-W231 AromaticContact CG-CZ3 3.85Å; Y168-W231 HydrophobicContact CG-CZ3 3.85Å; Y168-W231 WeakPolarHBondContact O-CZ3 3.32Å
169V82.5Confident78.6Confident21 Ų2175.4 Ų75.413%0.12739%0.389CS..EExtended strand (participates in β ladder)trans-121.5110.8-179.5-170.90000106.7L155 D173 I174L155-V169 HydrophobicContact CB-CB 4.19Å; L155-V169 HydrophobicContact CD2-CG2 4.4Å; L155-V169 PolarHBondContact N-O 3.03Å; L155-V169 PolarHBondContact O-N 3.08Å; V169-D173 HydrophobicContact CG1-CB 3.91Å; V169-I174 HydrophobicContact CB-CG1 4.28Å; V169-I174 HydrophobicContact CG1-CG1 3.71Å
170P83Confident77.9Confident27 Ų2777.6 Ų77.618%0.17540%0.399CS..  trans-64.1156.117528.8-34.1000109.5Y168 S172 D173 I174Y168-P170 HydrophobicContact CE1-CB 3.86Å; Y168-P170 HydrophobicContact CE1-CG 4.34Å; P170-S172 PolarHBondContact O-N 2.88Å; P170-S172 VanDerWaalsContact O-N 3.12Å; P170-D173 HydrophobicContact CG-CB 3.94Å; P170-D173 WeakPolarHBondContact CG-OD2 3.27Å; P170-D173 PolarHBondContact O-N 2.88Å; P170-I174 PolarHBondContact O-N 3.41Å
171A84.5Confident77.1Confident31 Ų3175.1 Ų75.126%0.25639%0.39SS..G310 helixtrans-57.2-33.4-174.100000114P152 E154 D173 I174P152-A171 HydrophobicContact CB-CB 3.91Å; P152-A171 WeakPolarHBondContact O-CB 3.04Å; E154-A171 HydrophobicContact CG-CB 4.26Å; A171-D173 PolarHBondContact O-N 3.34Å; A171-I174 PolarHBondContact O-N 2.88Å
172S78.5Confident76Confident105 Ų10580.5 Ų80.573%0.73441%0.409SS*.G310 helixtrans-62.2-28.1176.760.30000113.9P170P170-S172 PolarHBondContact O-N 2.88Å; P170-S172 VanDerWaalsContact O-N 3.12Å
173D77.6Confident74.9Confident70 Ų7080.9 Ų80.937%0.37442%0.415SS..G310 helixtrans-99.8-6.9-171.3-663.2000111.8V169 P170 A171 K175V169-D173 HydrophobicContact CG1-CB 3.91Å; P170-D173 HydrophobicContact CG-CB 3.94Å; P170-D173 WeakPolarHBondContact CG-OD2 3.27Å; P170-D173 PolarHBondContact O-N 2.88Å; A171-D173 PolarHBondContact O-N 3.34Å; D173-K175 PolarHBondContact O-N 2.81Å; D173-K175 VanDerWaalsContact O-N 3.07Å
174I78.4Confident73.9Confident74 Ų7482 Ų8238%0.37942%0.42SS..  trans-68.4108.7177.6-62.8179.3000109.2S153 L155 V169 P170 A171S153-I174 WeakPolarHBondContact O-CD1 3.4Å; L155-I174 HydrophobicContact CB-CD1 4.33Å; V169-I174 HydrophobicContact CB-CG1 4.28Å; V169-I174 HydrophobicContact CG1-CG1 3.71Å; P170-I174 PolarHBondContact O-N 3.41Å; A171-I174 PolarHBondContact O-N 2.88Å
175K77.4Confident72.4Confident161 Ų16184.5 Ų84.570%0.744%0.439SS*.  trans-93.3169.7171.8-66.8174.8-175.3176.80109.5D173 Q177D173-K175 PolarHBondContact O-N 2.81Å; D173-K175 VanDerWaalsContact O-N 3.07Å; K175-Q177 PolarHBondContact O-N 3.44Å
176K77Confident71.2Confident221 Ų22194.7 Ų94.796%0.96148%0.479SS*.SBendtrans-52.7-27.8170.6-68.8-174.6178.8-1790112.8
177Q71.9Confident70.2Confident168 Ų16896.7 Ų96.779%0.78549%0.487SS*.SBendtrans-136.5120.9173.4-64.7177.5-2.700108.4K175K175-Q177 PolarHBondContact O-N 3.44Å
178S67.8Low69.3Low52 Ų52104.7 Ų104.736%0.36452%0.522SS..  trans-106.6126.9172.2-62.80000108.5
179K68.7Low68.9Low202 Ų202107.5 Ų107.588%0.87854%0.541SS*.PPolyproline II helixtrans-87.3131.5176.5-66.2-178.7-179.8178.60108.7
180L66.8Low68.9Low65 Ų65109.7 Ų109.734%0.3455%0.551SS.*PPolyproline II helixtrans-89.6149.1167.9-63.2170.6000109V157 L184 I190V157-L180 HydrophobicContact CG2-CD2 3.89Å; L180-L184 HydrophobicContact CB-CD1 4.36Å; L180-L184 HydrophobicContact CB-CD2 4.43Å; L180-L184 HydrophobicContact CD1-CD2 4.37Å; L180-I190 HydrophobicContact CD1-CD1 3.92Å
181S63.1Low69Low52 Ų52110.6 Ų110.636%0.36455%0.554SS.*PPolyproline II helixtrans-58.9144.5178.9176.80000110.7N183 L184 E233S181-N183 PolarHBondContact O-N 3.42Å; S181-N183 PolarHBondContact OG-N 2.54Å; S181-L184 WeakPolarHBondContact O-CD1 3.05Å; S181-L184 PolarHBondContact O-N 2.9Å; S181-E233 PolarHBondContact OG-OE1 3.12Å; S181-E233 VanDerWaalsContact OG-OE1 3.1Å
182K55.1Low69.1Low195 Ų195112.4 Ų112.485%0.84856%0.564SS**G310 helixtrans-66.7-17.7176.9-68.2-177.3179.2179.40112.4L184 S185K182-L184 PolarHBondContact O-N 3.15Å; K182-L184 VanDerWaalsContact O-N 3.08Å; K182-S185 WeakPolarHBondContact O-CB 3.47Å; K182-S185 PolarHBondContact O-N 3Å
183N54.6Low69.7Low105 Ų105109.5 Ų109.556%0.56154%0.537SS*.G310 helixtrans-69.3-3.3179.5-68.1-28.3000113.8S181 S185 E233S181-N183 PolarHBondContact O-N 3.42Å; S181-N183 PolarHBondContact OG-N 2.54Å; N183-S185 PolarHBondContact O-N 2.8Å; N183-E233 PolarHBondContact ND2-OE1 3.09Å
184L58.8Low70.3Confident29 Ų29109.5 Ų109.515%0.15254%0.543CS..G310 helixtrans-66.1-10.6167.7-8783.8000113.9I166 L180 S181 K182 Y186 Q187 I190I166-L184 HydrophobicContact CG2-CD1 3.58Å; I166-L184 HydrophobicContact CG2-CD2 4.07Å; I166-L184 HydrophobicContact CG2-CG 3.73Å; L180-L184 HydrophobicContact CB-CD1 4.36Å; L180-L184 HydrophobicContact CB-CD2 4.43Å; L180-L184 HydrophobicContact CD1-CD2 4.37Å; S181-L184 WeakPolarHBondContact O-CD1 3.05Å; S181-L184 PolarHBondContact O-N 2.9Å; K182-L184 PolarHBondContact O-N 3.15Å; K182-L184 VanDerWaalsContact O-N 3.08Å; L184-Y186 PolarHBondContact O-N 2.86Å; L184-Q187 PolarHBondContact O-N 2.94Å; L184-I190 HydrophobicContact CD2-CD1 3.66Å; L184-I190 HydrophobicContact CD2-CG2 3.72Å
185S51.1Low70.9Confident102 Ų102109.5 Ų109.571%0.71354%0.543SS*.G310 helixtrans-52.9-17.7-172.4-1790000116.1K182 N183K182-S185 WeakPolarHBondContact O-CB 3.47Å; K182-S185 PolarHBondContact O-N 3Å; N183-S185 PolarHBondContact O-N 2.8Å
186Y56.7Low71.5Confident223 Ų223102 Ų10288%0.87551%0.511SS*.G310 helixtrans-95.9-6.2179.9-76.2-80.7000114.7L184L184-Y186 PolarHBondContact O-N 2.86Å
187Q59.7Low72.2Confident81 Ų8192.8 Ų92.838%0.37947%0.47SS..  trans-102124.4-176.9-67.5-178.8-14.200111.4L184 T189L184-Q187 PolarHBondContact O-N 2.94Å; Q187-T189 VanDerWaalsContact C-N 3.32Å; Q187-T189 PolarHBondContact O-N 3.31Å
188Q60.9Low73.1Confident196 Ų19685.6 Ų85.692%0.91644%0.437SS*.SBendtrans-70.7-24.6-173.8-73-179.6-22.300113.9
189T73.6Confident74.2Confident78 Ų7883.2 Ų83.248%0.47942%0.42SS..  trans-154.1129.1179.349.70000110N160 Q187N160-T189 WeakPolarHBondContact CB-OG1 3.42Å; Q187-T189 VanDerWaalsContact C-N 3.32Å; Q187-T189 PolarHBondContact O-N 3.31Å
190I81.2Confident75.3Confident66 Ų6673.6 Ų73.634%0.33838%0.378SS..EExtended strand (participates in β ladder)trans-109.2150.1171.461.3177.5000109.9V157 I166 L180 L184V157-I190 HydrophobicContact CG1-CB 4.2Å; V157-I190 HydrophobicContact CG1-CD1 4.15Å; I166-I190 HydrophobicContact CD1-CB 4.26Å; I166-I190 HydrophobicContact CD1-CG2 3.59Å; L180-I190 HydrophobicContact CD1-CD1 3.92Å; L184-I190 HydrophobicContact CD2-CD1 3.66Å; L184-I190 HydrophobicContact CD2-CG2 3.72Å
191L86Confident76.5Confident47 Ų4770.7 Ų70.725%0.24636%0.363CS..EExtended strand (participates in β ladder)trans-110.4129173.8-178.572.1000109.8V157 T158 H162 R193V157-L191 CarbonylContact C-O 3.57Å; V157-L191 VanDerWaalsContact CA-O 3.27Å; V157-L191 WeakPolarHBondContact CA-O 3.37Å; T158-L191 PolarHBondContact N-O 2.8Å; T158-L191 PolarHBondContact O-N 2.71Å; H162-L191 WeakPolarHBondContact CE1-CD2 3.28Å; H162-L191 WeakPolarHBondContact ND1-CD2 3.36Å; L191-R193 HydrophobicContact CD2-CG 4.12Å; L191-R193 HydrophobicContact CG-CG 4.21Å
192C87.2Confident78Confident69 Ų6968.2 Ų68.247%0.46635%0.346SS..EExtended strand (participates in β ladder)trans-109.1126.8173.9-62.40000109.4L155 T156L155-C192 HydrophobicContact CD1-CB 4.21Å; T156-C192 CarbonylContact O-C 3.59Å; T156-C192 WeakPolarHBondContact O-CA 3.49Å
193R90.3Very high79.8Confident43 Ų4358.9 Ų58.916%0.16231%0.306CS..EExtended strand (participates in β ladder)trans-128.5138179.5-81.2-177.774.2173.72.2111.1T156 L191 D195 L196 E270T156-R193 PolarHBondContact N-O 3.18Å; T156-R193 PolarHBondContact O-N 3.26Å; T156-R193 WeakPolarHBondContact OG1-CB 3.45Å; T156-R193 PolarHBondContact OG1-O 3.22Å; L191-R193 HydrophobicContact CD2-CG 4.12Å; L191-R193 HydrophobicContact CG-CG 4.21Å; R193-D195 WeakPolarHBondContact CB-OD1 3.33Å; R193-D195 IonicContact CZ-OD1 3.79Å; R193-D195 IonicContact CZ-OD2 2.89Å; R193-D195 IonicContact NE-OD1 3.86Å; R193-D195 PolarHBondContact NE-OD1 3.15Å; R193-D195 IonicContact NE-OD2 2.71Å; R193-D195 PolarHBondContact NE-OD2 3.03Å; R193-D195 IonicContact NH2-OD1 3Å; R193-D195 IonicContact NH2-OD2 2.9Å; R193-D195 PolarHBondContact NH2-OD2 2.91Å; R193-L196 HydrophobicContact CB-CD1 4.5Å; R193-E270 IonicContact CZ-OE1 3.75Å; R193-E270 IonicContact CZ-OE2 2.93Å; R193-E270 VanDerWaalsContact NH1-CD 3.29Å; R193-E270 IonicContact NH1-OE1 2.68Å; R193-E270 PolarHBondContact NH1-OE1 2.84Å; R193-E270 IonicContact NH1-OE2 3.4Å; R193-E270 PolarHBondContact NH1-OE2 3.42Å; R193-E270 IonicContact NH2-OE1 3.4Å; R193-E270 PolarHBondContact NH2-OE1 3.08Å; R193-E270 IonicContact NH2-OE2 3.74Å
194S90.2Very high81.6Confident70 Ų7053.9 Ų53.949%0.4928%0.279SS..SBendtrans-1215.6-179.966.90000114S153 E154S153-S194 WeakPolarHBondContact CB-O 3.45Å; S153-S194 PolarHBondContact OG-O 3.31Å; E154-S194 VanDerWaalsContact O-CA 3.27Å; E154-S194 WeakPolarHBondContact O-CA 3.24Å
195D91.1Very high83.2Confident74 Ų7453.2 Ų53.240%0.39628%0.277SS..SBendtrans-93.3-22.517862.7-51.5000112.7T139 R193T139-D195 HydrophobicContact CG2-CB 4.48Å; R193-D195 WeakPolarHBondContact CB-OD1 3.33Å; R193-D195 IonicContact CZ-OD1 3.79Å; R193-D195 IonicContact CZ-OD2 2.89Å; R193-D195 IonicContact NE-OD1 3.86Å; R193-D195 PolarHBondContact NE-OD1 3.15Å; R193-D195 IonicContact NE-OD2 2.71Å; R193-D195 PolarHBondContact NE-OD2 3.03Å; R193-D195 IonicContact NH2-OD1 3Å; R193-D195 IonicContact NH2-OD2 2.9Å; R193-D195 PolarHBondContact NH2-OD2 2.91Å
196L90.9Very high85Confident4 Ų451.3 Ų51.32%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-84.9142.4178.2-65.8179.6000112.1F137 T139 T156 R193 E270F137-L196 HydrophobicContact CB-CB 4.27Å; F137-L196 HydrophobicContact CB-CD2 4.46Å; F137-L196 HydrophobicContact CD1-CB 4.12Å; T139-L196 HydrophobicContact CG2-CD2 3.97Å; T156-L196 HydrophobicContact CG2-CB 4.38Å; R193-L196 HydrophobicContact CB-CD1 4.5Å; L196-E270 HydrophobicContact CD2-CG 3.92Å
197R90.9Very high86.4Confident28 Ų2842.7 Ų42.711%0.10623%0.228CC..EExtended strand (participates in β ladder)trans-129.8150.7171.9-72.4-159.2-176.3-108.1-2.5112.9F137 S138 I151 P152 E154 C199F137-R197 CarbonylContact C-O 3.48Å; F137-R197 WeakPolarHBondContact CA-O 3.1Å; F137-R197 WeakPolarHBondContact CB-O 3.38Å; F137-R197 VanDerWaalsContact CD1-O 3.3Å; F137-R197 WeakPolarHBondContact CD1-O 3.48Å; S138-R197 PolarHBondContact N-O 3.47Å; S138-R197 PolarHBondContact O-N 3.37Å; I151-R197 PolarHBondContact O-NH2 2.87Å; P152-R197 VanDerWaalsContact O-CZ 3.27Å; P152-R197 PolarHBondContact O-NH1 3.23Å; P152-R197 PolarHBondContact O-NH2 2.85Å; E154-R197 WeakPolarHBondContact OE1-CD 3.45Å; E154-R197 WeakPolarHBondContact OE1-CG 3.34Å; E154-R197 IonicContact OE1-CZ 3.44Å; E154-R197 IonicContact OE1-NE 2.7Å; E154-R197 IonicContact OE1-NH1 3.31Å; E154-R197 PolarHBondContact OE1-NH1 3.07Å; R197-C199 PolarHBondContact O-N 2.75Å
198D90.8Very high87.6Confident17 Ų1739.2 Ų39.29%0.09121%0.213CC..EExtended strand (participates in β ladder)trans-65.4123.7172.1-179.415.5000111.4F137 E154 G200 Y202 W227F137-D198 HydrophobicContact CE1-CB 4.12Å; F137-D198 HydrophobicContact CZ-CB 4.38Å; E154-D198 PolarHBondContact OE2-N 2.92Å; E154-D198 VanDerWaalsContact OE2-N 3.12Å; D198-G200 PolarHBondContact OD1-N 2.8Å; D198-Y202 PolarHBondContact OD1-OH 3.4Å; D198-Y202 PolarHBondContact OD2-OH 2.94Å; D198-W227 HydrophobicContact CB-CZ2 3.83Å; D198-W227 WeakPolarHBondContact OD2-CZ2 3.39Å; D198-W227 PolarHBondContact OD2-NE1 2.89Å
199C91.4Very high88.7Confident1 Ų130.2 Ų30.21%0.00717%0.172CC..EExtended strand (participates in β ladder)trans-83.9-15.6175.8-62.70000112.9T112 V136 S138 R197T112-C199 WeakPolarHBondContact CG2-O 3.26Å; T112-C199 PolarHBondContact OG1-O 3.23Å; V136-C199 HydrophobicContact CB-CB 4.47Å; V136-C199 HydrophobicContact CG1-CB 4.23Å; V136-C199 WeakPolarHBondContact O-CB 3.37Å; V136-C199 PolarHBondContact O-N 2.97Å; S138-C199 VanDerWaalsContact CB-SG 3.51Å; R197-C199 PolarHBondContact O-N 2.75Å
200G90Very high89.1Confident0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans86.115.4-177.100000115.1T108 D198 Y202T108-G200 WeakPolarHBondContact CA-O 3.41Å; D198-G200 PolarHBondContact OD1-N 2.8Å; G200-Y202 VanDerWaalsContact C-CE2 3.47Å; G200-Y202 WeakPolarHBondContact CA-OH 3.13Å; G200-Y202 WeakPolarHBondContact O-CE2 3.47Å
201L93.6Very high89Confident4 Ų429.1 Ų29.12%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-114.6129.1173.5173.568.7000110.7F106 I107 I114 I117 L119 I122 V136F106-L201 HydrophobicContact CD1-CD1 4.31Å; I107-L201 WeakPolarHBondContact O-CA 3.35Å; I114-L201 HydrophobicContact CD1-CB 3.29Å; I114-L201 HydrophobicContact CD1-CD2 3.43Å; I114-L201 VanDerWaalsContact CD1-CD2 3.43Å; I114-L201 HydrophobicContact CD1-CG 3.93Å; I117-L201 HydrophobicContact CD1-CD2 4.31Å; I117-L201 HydrophobicContact CG2-CD2 4.44Å; L119-L201 HydrophobicContact CD2-CD2 3.75Å; I122-L201 HydrophobicContact CD1-CD2 3.79Å; I122-L201 HydrophobicContact CD1-CG 4.5Å; V136-L201 HydrophobicContact CB-CB 4.28Å; V136-L201 HydrophobicContact CG2-CB 4.21Å; V136-L201 HydrophobicContact CG2-CD2 3.97Å; V136-L201 HydrophobicContact CG2-CG 4.06Å; V136-L201 PolarHBondContact N-O 3.36Å
202Y93.1Very high88.6Confident0 Ų027 Ų270%015%0.15CC..EExtended strand (participates in β ladder)trans-133.7149.1-176.1-40.7-83.7000110.8F106 I107 Y109 V134 A135 D198 G200 I226 W227F106-Y202 CarbonylContact C-O 3.6Å; F106-Y202 VanDerWaalsContact CA-O 3.28Å; F106-Y202 WeakPolarHBondContact CA-O 3.44Å; I107-Y202 HydrophobicContact CB-CD2 4.38Å; I107-Y202 HydrophobicContact CG2-CD2 4.48Å; I107-Y202 PolarHBondContact N-O 3.4Å; I107-Y202 WeakPolarHBondContact O-CD2 3.49Å; I107-Y202 PolarHBondContact O-N 2.92Å; Y109-Y202 HydrophobicContact CD2-CE2 4.42Å; Y109-Y202 AromaticContact CE2-CE2 3.78Å; Y109-Y202 HydrophobicContact CE2-CE2 3.78Å; V134-Y202 CarbonylContact O-C 3.56Å; V134-Y202 VanDerWaalsContact O-CA 3.27Å; V134-Y202 WeakPolarHBondContact O-CA 3.32Å; A135-Y202 HydrophobicContact CB-CD1 3.66Å; A135-Y202 HydrophobicContact CB-CE1 4.06Å; D198-Y202 PolarHBondContact OD1-OH 3.4Å; D198-Y202 PolarHBondContact OD2-OH 2.94Å; G200-Y202 VanDerWaalsContact C-CE2 3.47Å; G200-Y202 WeakPolarHBondContact CA-OH 3.13Å; G200-Y202 WeakPolarHBondContact O-CE2 3.47Å; Y202-I226 HydrophobicContact CD1-CD1 4.17Å; Y202-I226 HydrophobicContact CD2-CD1 3.53Å; Y202-I226 HydrophobicContact CE1-CD1 4.21Å; Y202-I226 HydrophobicContact CE1-CG2 4.28Å; Y202-I226 HydrophobicContact CE2-CD1 3.57Å; Y202-I226 HydrophobicContact CE2-CG2 4.43Å; Y202-I226 HydrophobicContact CG-CD1 3.83Å; Y202-W227 HydrophobicContact CD1-CH2 4.23Å; Y202-W227 HydrophobicContact CD1-CZ3 4.44Å; Y202-W227 AromaticContact CE1-CH2 3.63Å; Y202-W227 HydrophobicContact CE1-CH2 3.63Å; Y202-W227 AromaticContact CE1-CZ2 3.64Å; Y202-W227 HydrophobicContact CE1-CZ2 3.64Å; Y202-W227 HydrophobicContact CE1-CZ3 4.08Å
203L94.5Very high88Confident0 Ų024.1 Ų24.10%013%0.131CC..EExtended strand (participates in β ladder)trans-114.4126164.8178.463.1000108.1M1 F106 I122 F123 M126 V133 V134M1-L203 HydrophobicContact CE-CD1 3.71Å; F106-L203 HydrophobicContact CD1-CB 4.01Å; F106-L203 HydrophobicContact CD1-CD1 3.89Å; F106-L203 HydrophobicContact CD1-CG 4.48Å; F106-L203 HydrophobicContact CD2-CD1 4.05Å; F106-L203 HydrophobicContact CE1-CB 3.8Å; F106-L203 HydrophobicContact CE1-CD1 3.75Å; F106-L203 HydrophobicContact CE1-CD2 4.23Å; F106-L203 HydrophobicContact CE1-CG 4.12Å; F106-L203 HydrophobicContact CE2-CD1 3.92Å; F106-L203 HydrophobicContact CG-CD1 4.04Å; F106-L203 HydrophobicContact CZ-CD1 3.75Å; F106-L203 HydrophobicContact CZ-CD2 4.18Å; F106-L203 HydrophobicContact CZ-CG 4.35Å; I122-L203 HydrophobicContact CG2-CB 3.84Å; I122-L203 HydrophobicContact CG2-CD2 4.14Å; F123-L203 HydrophobicContact CB-CD2 4.13Å; F123-L203 HydrophobicContact CD2-CD2 4.04Å; M126-L203 HydrophobicContact CB-CD2 4.08Å; M126-L203 HydrophobicContact CE-CB 4.08Å; M126-L203 HydrophobicContact CE-CD2 3.91Å; M126-L203 HydrophobicContact CE-CG 3.55Å; M126-L203 WeakPolarHBondContact CE-O 3.5Å; M126-L203 HydrophobicContact SD-CD2 3.84Å; M126-L203 HydrophobicContact SD-CG 4Å; V133-L203 CarbonylContact C-O 3.57Å; V133-L203 WeakPolarHBondContact CA-O 3.4Å; V134-L203 HydrophobicContact CB-CB 4.23Å; V134-L203 PolarHBondContact N-O 3.31Å; V134-L203 PolarHBondContact O-N 3.44Å
204V92.2Very high87.2Confident0 Ų028.8 Ų28.80%015%0.152CC..EExtended strand (participates in β ladder)trans-125.7132.5-174.7-168.40000109.9Y104 L105 I107 V133 A208 L209 F230Y104-V204 WeakPolarHBondContact CA-O 3.23Å; L105-V204 PolarHBondContact N-O 3.5Å; L105-V204 PolarHBondContact O-N 3.35Å; I107-V204 HydrophobicContact CD1-CB 4.5Å; I107-V204 HydrophobicContact CD1-CG2 3.83Å; I107-V204 HydrophobicContact CG1-CG2 4.44Å; V133-V204 HydrophobicContact CG1-CG2 4.42Å; V133-V204 HydrophobicContact CG2-CG1 4.28Å; V204-A208 HydrophobicContact CG1-CB 3.65Å; V204-L209 HydrophobicContact CB-CD2 3.89Å; V204-L209 HydrophobicContact CB-CG 4.1Å; V204-L209 HydrophobicContact CG1-CD2 3.62Å; V204-L209 HydrophobicContact CG1-CG 3.66Å; V204-F230 HydrophobicContact CG1-CE1 4.02Å; V204-F230 HydrophobicContact CG1-CZ 3.93Å; V204-F230 HydrophobicContact CG2-CE2 4.49Å; V204-F230 HydrophobicContact CG2-CZ 3.87Å
205S91.7Very high86Confident15 Ų1528.4 Ų28.411%0.10514%0.144CC..EExtended strand (participates in β ladder)trans-74.8156.5173.480.20000111.2N103 S132 A207 A208 L209N103-S205 CarbonylContact O-C 3.58Å; S132-S205 WeakPolarHBondContact CB-OG 3.47Å; S132-S205 WeakPolarHBondContact O-CB 3.46Å; S132-S205 PolarHBondContact O-N 2.91Å; S132-S205 PolarHBondContact O-OG 3.24Å; S205-A207 VanDerWaalsContact C-N 3.27Å; S205-A207 PolarHBondContact O-N 3.43Å; S205-A208 PolarHBondContact O-N 3.43Å; S205-A208 VanDerWaalsContact O-N 3.14Å; S205-A208 PolarHBondContact OG-N 3.31Å; S205-L209 WeakPolarHBondContact O-CG 3.36Å; S205-L209 PolarHBondContact O-N 2.86Å
206R89.3Confident84.3Confident62 Ų6225.6 Ų25.623%0.23413%0.133CC..Hα-helixtrans-57.5-40.9178.5-175.463.8-177.9-151.3-0.3112.7I100 N103 A208 L209 D210I100-R206 VanDerWaalsContact CG2-NH1 3.28Å; I100-R206 PolarHBondContact O-NH1 2.99Å; N103-R206 WeakPolarHBondContact O-CB 3.5Å; N103-R206 PolarHBondContact O-N 3.28Å; R206-A208 PolarHBondContact O-N 2.99Å; R206-L209 PolarHBondContact O-N 3.5Å; R206-D210 IonicContact NE-OD1 2.71Å; R206-D210 IonicContact NE-OD2 3.72Å; R206-D210 PolarHBondContact O-N 3.28Å
207A85.6Confident82.5Confident41 Ų4132.7 Ų32.734%0.33917%0.166SC..Hα-helixtrans-58.1-50.4176.500000110.6S205 L209 D210 H211S205-A207 VanDerWaalsContact C-N 3.27Å; S205-A207 PolarHBondContact O-N 3.43Å; A207-L209 PolarHBondContact O-N 3.23Å; A207-D210 PolarHBondContact O-N 3Å; A207-H211 PolarHBondContact O-CD2 3.48Å; A207-H211 PolarHBondContact O-N 2.88Å
208A85.4Confident80.6Confident8 Ų836.1 Ų36.17%0.06619%0.187CC..Hα-helixtrans-62.4-40177.600000112.8V133 V204 S205 R206 D210 H211 V212 F230V133-A208 HydrophobicContact CG2-CB 3.93Å; V204-A208 HydrophobicContact CG1-CB 3.65Å; S205-A208 PolarHBondContact O-N 3.43Å; S205-A208 VanDerWaalsContact O-N 3.14Å; S205-A208 PolarHBondContact OG-N 3.31Å; R206-A208 PolarHBondContact O-N 2.99Å; A208-D210 VanDerWaalsContact C-N 3.31Å; A208-D210 PolarHBondContact O-N 2.65Å; A208-H211 PolarHBondContact O-N 2.64Å; A208-V212 WeakPolarHBondContact O-CG2 3.41Å; A208-V212 PolarHBondContact O-N 3.49Å; A208-F230 HydrophobicContact CB-CE1 4.32Å
209L84.1Confident78.4Confident7 Ų742.1 Ų42.14%0.03722%0.217CC..Hα-helixtrans-59.4-42.7174.3-68.2171.6000112L93 I100 L105 I107 V204 S205 R206 A207 H211 V212 A213L93-L209 HydrophobicContact CD1-CD2 3.9Å; L93-L209 HydrophobicContact CD2-CD2 4.03Å; I100-L209 HydrophobicContact CG2-CD1 4.24Å; L105-L209 HydrophobicContact CB-CD1 3.75Å; L105-L209 HydrophobicContact CD2-CD1 3.96Å; L105-L209 HydrophobicContact CD2-CD2 4.09Å; I107-L209 HydrophobicContact CD1-CD2 4.08Å; V204-L209 HydrophobicContact CB-CD2 3.89Å; V204-L209 HydrophobicContact CB-CG 4.1Å; V204-L209 HydrophobicContact CG1-CD2 3.62Å; V204-L209 HydrophobicContact CG1-CG 3.66Å; S205-L209 WeakPolarHBondContact O-CG 3.36Å; S205-L209 PolarHBondContact O-N 2.86Å; R206-L209 PolarHBondContact O-N 3.5Å; A207-L209 PolarHBondContact O-N 3.23Å; L209-H211 VanDerWaalsContact C-N 3.31Å; L209-H211 PolarHBondContact O-N 3.36Å; L209-V212 PolarHBondContact O-N 3.02Å; L209-A213 WeakPolarHBondContact O-CB 3.21Å; L209-A213 PolarHBondContact O-N 3.21Å
210D82.2Confident76.2Confident38 Ų3847.6 Ų47.620%0.20325%0.251CS..Hα-helixtrans-66.3-33.7178.5-72.5-25.3000112R97 R206 A207 A208 K214R97-D210 IonicContact CZ-OD1 3.21Å; R97-D210 IonicContact NH1-OD1 2.67Å; R97-D210 PolarHBondContact NH1-OD1 3.24Å; R97-D210 IonicContact NH2-OD1 2.8Å; R97-D210 PolarHBondContact NH2-OD1 3.48Å; R97-D210 IonicContact NH2-OD2 3.68Å; R206-D210 IonicContact NE-OD1 2.71Å; R206-D210 IonicContact NE-OD2 3.72Å; R206-D210 PolarHBondContact O-N 3.28Å; A207-D210 PolarHBondContact O-N 3Å; A208-D210 VanDerWaalsContact C-N 3.31Å; A208-D210 PolarHBondContact O-N 2.65Å; D210-K214 WeakPolarHBondContact O-CD 3.27Å; D210-K214 VanDerWaalsContact O-CG 3.25Å; D210-K214 WeakPolarHBondContact O-CG 3.5Å; D210-K214 PolarHBondContact O-N 3.29Å
211H79.4Confident74.1Confident84 Ų8449 Ų4939%0.38926%0.258SS..Hα-helixtrans-68.7-49172.5-74.6-71.4000112.1A207 A208 L209 A213 K214 L215 T263A207-H211 PolarHBondContact O-CD2 3.48Å; A207-H211 PolarHBondContact O-N 2.88Å; A208-H211 PolarHBondContact O-N 2.64Å; L209-H211 VanDerWaalsContact C-N 3.31Å; L209-H211 PolarHBondContact O-N 3.36Å; H211-A213 VanDerWaalsContact C-N 3.34Å; H211-A213 PolarHBondContact O-N 3.22Å; H211-K214 PolarHBondContact O-N 3.15Å; H211-L215 WeakPolarHBondContact O-CD1 3.15Å; H211-L215 PolarHBondContact O-N 3.21Å; H211-T263 WeakPolarHBondContact CD2-CG2 3.41Å; H211-T263 WeakPolarHBondContact NE2-CG2 3.41Å
212V76.7Confident71.5Confident2 Ų257.9 Ų57.91%0.01229%0.291CS..Hα-helixtrans-60.4-45179.2174.30000110.9S90 L93 A208 L209 K214 L215 F230S90-V212 PolarHBondContact OG-O 3.4Å; L93-V212 HydrophobicContact CD1-CG1 4.03Å; A208-V212 WeakPolarHBondContact O-CG2 3.41Å; A208-V212 PolarHBondContact O-N 3.49Å; L209-V212 PolarHBondContact O-N 3.02Å; V212-K214 PolarHBondContact O-N 3.41Å; V212-L215 PolarHBondContact O-N 3.39Å; V212-F230 HydrophobicContact CG2-CD1 3.78Å; V212-F230 HydrophobicContact CG2-CE1 3.33Å; V212-F230 HydrophobicContact CG2-CZ 3.98Å
213A75.8Confident69Low8 Ų867.3 Ų67.37%0.06633%0.331CS..Hα-helixtrans-63.4-27.8-179.400000113.6L209 H211L209-A213 WeakPolarHBondContact O-CB 3.21Å; L209-A213 PolarHBondContact O-N 3.21Å; H211-A213 VanDerWaalsContact C-N 3.34Å; H211-A213 PolarHBondContact O-N 3.22Å
214K72Confident66.7Low141 Ų14171.1 Ų71.161%0.61335%0.348SS*.Hα-helixtrans-76.3-33.7176.4-74.7172.3-177.3-179.30112.8D210 H211 V212 G216D210-K214 WeakPolarHBondContact O-CD 3.27Å; D210-K214 VanDerWaalsContact O-CG 3.25Å; D210-K214 WeakPolarHBondContact O-CG 3.5Å; D210-K214 PolarHBondContact O-N 3.29Å; H211-K214 PolarHBondContact O-N 3.15Å; V212-K214 PolarHBondContact O-N 3.41Å; K214-G216 PolarHBondContact O-N 2.92Å
215L65.7Low64.8Low62 Ų6273.6 Ų73.633%0.32537%0.365SS..Hα-helixtrans-68.3-18.6178.1-78.4148.3000113.1H211 V212 E217 D218 Y229H211-L215 WeakPolarHBondContact O-CD1 3.15Å; H211-L215 PolarHBondContact O-N 3.21Å; V212-L215 PolarHBondContact O-N 3.39Å; L215-E217 PolarHBondContact O-N 3.32Å; L215-E217 VanDerWaalsContact O-N 3.11Å; L215-D218 PolarHBondContact O-N 2.71Å; L215-Y229 HydrophobicContact CB-CD1 4.3Å
216G56.2Low63Low16 Ų1673 Ų7317%0.16536%0.361CS..THydrogen-bonded Turntrans-67.3-2.8-178.400000116.5S90 K214 D218S90-G216 WeakPolarHBondContact OG-CA 3.47Å; S90-G216 PolarHBondContact OG-N 2.64Å; K214-G216 PolarHBondContact O-N 2.92Å; G216-D218 VanDerWaalsContact C-N 3.3Å
217E52.2Low61.4Low152 Ų15270.3 Ų70.371%0.7135%0.351SS*.THydrogen-bonded Turntrans-76.5-17.5177.1-64.5-173.8170.800112.6L215 I219L215-E217 PolarHBondContact O-N 3.32Å; L215-E217 VanDerWaalsContact O-N 3.11Å; E217-I219 PolarHBondContact O-N 2.63Å
218D51.6Low59.8Low100 Ų10072.2 Ų72.254%0.53535%0.353SS..  trans-85.8107.9-179.6-80.6-33000112.9L215 G216 T220 H221L215-D218 PolarHBondContact O-N 2.71Å; G216-D218 VanDerWaalsContact C-N 3.3Å; D218-T220 PolarHBondContact O-N 3Å; D218-H221 PolarHBondContact O-CD2 3.31Å; D218-H221 PolarHBondContact O-N 3.27Å
219I43.9Very low58.2Low143 Ų14372.6 Ų72.673%0.73335%0.353SS*.G310 helixtrans-55-19.4-176.7-61.2166.2000113.3E217 H221E217-I219 PolarHBondContact O-N 2.63Å; I219-H221 PolarHBondContact O-N 2.9Å
220T44.9Very low56.7Low116 Ų11673.7 Ų73.771%0.71236%0.357SS*.G310 helixtrans-74-2.1-177.166.90000114.3D218D218-T220 PolarHBondContact O-N 3Å
221H47.2Very low55.3Low31 Ų3174.6 Ų74.614%0.14436%0.358CS..G310 helixtrans-104.58.6-165.7-60.7-28.7000116.3D218 I219 K223 K224 Y229D218-H221 PolarHBondContact O-CD2 3.31Å; D218-H221 PolarHBondContact O-N 3.27Å; I219-H221 PolarHBondContact O-N 2.9Å; H221-K223 PolarHBondContact O-N 3.05Å; H221-K224 HydrophobicContact CB-CD 4.12Å; H221-K224 HydrophobicContact CB-CG 4.43Å; H221-K224 WeakPolarHBondContact ND1-CD 3.33Å; H221-K224 WeakPolarHBondContact ND1-CE 3.32Å; H221-K224 PolarHBondContact ND1-NZ 3.5Å; H221-K224 PolarHBondContact O-N 3.48Å; H221-Y229 HydrophobicContact CB-CE1 4.37Å; H221-Y229 VanDerWaalsContact CB-OH 3.29Å; H221-Y229 WeakPolarHBondContact CB-OH 3.33Å; H221-Y229 PolarHBondContact O-OH 3.4Å
222R38.7Very low53.3Low190 Ų19073.9 Ų73.972%0.71736%0.362SS*.THydrogen-bonded Turntrans-57-14.6-176.3-70.3-171.2-178-176.52.2116.6
223K40.8Very low51.4Low197 Ų19778.8 Ų78.886%0.85739%0.385SS*.THydrogen-bonded Turntrans-113.76.6179.8-68.5-169.1175.1-172.20114.4H221H221-K223 PolarHBondContact O-N 3.05Å
224K45.7Very low49.3Very low81 Ų8183.2 Ų83.235%0.35241%0.413SS..  trans-89.9122.1-172-65.5-167.4166.9-168.10111H221 Q228 Y229H221-K224 HydrophobicContact CB-CD 4.12Å; H221-K224 HydrophobicContact CB-CG 4.43Å; H221-K224 WeakPolarHBondContact ND1-CD 3.33Å; H221-K224 WeakPolarHBondContact ND1-CE 3.32Å; H221-K224 PolarHBondContact ND1-NZ 3.5Å; H221-K224 PolarHBondContact O-N 3.48Å; K224-Q228 HydrophobicContact CB-CB 4.06Å; K224-Q228 HydrophobicContact CB-CG 4.38Å; K224-Q228 HydrophobicContact CD-CB 4.13Å; K224-Q228 HydrophobicContact CG-CB 4.45Å; K224-Y229 HydrophobicContact CB-CE2 4.08Å; K224-Y229 WeakPolarHBondContact O-CE2 3.38Å
225S51Low47.2Very low51 Ų5182 Ų8236%0.35742%0.419SS..  trans-58.4155.7172.3-1770000111W227 Q228S225-W227 PolarHBondContact O-N 2.69Å; S225-Q228 PolarHBondContact O-N 2.92Å
226I54.3Low45.4Very low3 Ų386.3 Ų86.32%0.01544%0.438CS..Hα-helixtrans-39.3-34.1173.7-175.8164.8000112.7L89 Y202 Y229 F230L89-I226 HydrophobicContact CD2-CB 3.65Å; L89-I226 HydrophobicContact CD2-CD1 3.25Å; L89-I226 HydrophobicContact CD2-CG1 3.23Å; Y202-I226 HydrophobicContact CD1-CD1 4.17Å; Y202-I226 HydrophobicContact CD2-CD1 3.53Å; Y202-I226 HydrophobicContact CE1-CD1 4.21Å; Y202-I226 HydrophobicContact CE1-CG2 4.28Å; Y202-I226 HydrophobicContact CE2-CD1 3.57Å; Y202-I226 HydrophobicContact CE2-CG2 4.43Å; Y202-I226 HydrophobicContact CG-CD1 3.83Å; I226-Y229 WeakPolarHBondContact O-CB 3.26Å; I226-Y229 PolarHBondContact O-N 3.03Å; I226-F230 HydrophobicContact CD1-CD2 4.46Å; I226-F230 HydrophobicContact CD1-CE2 3.7Å; I226-F230 HydrophobicContact CG1-CD2 3.71Å; I226-F230 HydrophobicContact CG1-CE2 3.33Å; I226-F230 HydrophobicContact CG1-CZ 4.39Å; I226-F230 WeakPolarHBondContact O-CD2 3.22Å; I226-F230 PolarHBondContact O-N 3.43Å
227W56.5Low44.1Very low6 Ų692.6 Ų92.62%0.02347%0.466CS..Hα-helixtrans-62-38.4179.4-64.7139.5000116.7A135 F137 L165 Y168 D198 Y202 S225 Y229 W231A135-W227 HydrophobicContact CB-CH2 3.3Å; A135-W227 HydrophobicContact CB-CZ2 4.39Å; A135-W227 HydrophobicContact CB-CZ3 3.75Å; F137-W227 AromaticContact CE2-CH2 3.67Å; F137-W227 HydrophobicContact CE2-CH2 3.67Å; F137-W227 HydrophobicContact CE2-CZ2 4.1Å; F137-W227 AromaticContact CZ-CH2 3.66Å; F137-W227 HydrophobicContact CZ-CH2 3.66Å; F137-W227 AromaticContact CZ-CZ2 3.71Å; F137-W227 HydrophobicContact CZ-CZ2 3.71Å; L165-W227 HydrophobicContact CD2-CZ3 4.45Å; Y168-W227 HydrophobicContact CD1-CB 4.46Å; Y168-W227 HydrophobicContact CD1-CD2 4.41Å; Y168-W227 HydrophobicContact CD1-CG 4.07Å; Y168-W227 AromaticContact CE1-CD1 3.42Å; Y168-W227 VanDerWaalsContact CE1-CD1 3.42Å; Y168-W227 HydrophobicContact CE1-CD2 4.41Å; Y168-W227 AromaticContact CE1-CG 3.95Å; Y168-W227 HydrophobicContact CE1-CG 3.95Å; Y168-W227 AromaticContact CE1-NE1 3.56Å; Y168-W227 AromaticContact CZ-NE1 3.94Å; D198-W227 HydrophobicContact CB-CZ2 3.83Å; D198-W227 WeakPolarHBondContact OD2-CZ2 3.39Å; D198-W227 PolarHBondContact OD2-NE1 2.89Å; Y202-W227 HydrophobicContact CD1-CH2 4.23Å; Y202-W227 HydrophobicContact CD1-CZ3 4.44Å; Y202-W227 AromaticContact CE1-CH2 3.63Å; Y202-W227 HydrophobicContact CE1-CH2 3.63Å; Y202-W227 AromaticContact CE1-CZ2 3.64Å; Y202-W227 HydrophobicContact CE1-CZ2 3.64Å; Y202-W227 HydrophobicContact CE1-CZ3 4.08Å; S225-W227 PolarHBondContact O-N 2.69Å; W227-Y229 PolarHBondContact O-N 2.83Å; W227-W231 HydrophobicContact CB-CE3 4.05Å; W227-W231 HydrophobicContact CB-CH2 3.47Å; W227-W231 VanDerWaalsContact CB-CH2 3.47Å; W227-W231 HydrophobicContact CB-CZ2 4.35Å; W227-W231 HydrophobicContact CB-CZ3 3.36Å; W227-W231 AromaticContact CD2-CH2 3.22Å; W227-W231 HydrophobicContact CD2-CH2 3.22Å; W227-W231 AromaticContact CD2-CZ2 3.64Å; W227-W231 HydrophobicContact CD2-CZ2 3.64Å; W227-W231 HydrophobicContact CD2-CZ3 4.13Å; W227-W231 AromaticContact CE3-CE2 3.85Å; W227-W231 AromaticContact CE3-CH2 3.13Å; W227-W231 HydrophobicContact CE3-CH2 3.13Å; W227-W231 AromaticContact CE3-CZ2 2.97Å; W227-W231 HydrophobicContact CE3-CZ2 2.97Å; W227-W231 HydrophobicContact CE3-CZ3 4.2Å; W227-W231 AromaticContact CG-CH2 3.43Å; W227-W231 HydrophobicContact CG-CH2 3.43Å; W227-W231 VanDerWaalsContact CG-CH2 3.43Å; W227-W231 HydrophobicContact CG-CZ2 4.26Å; W227-W231 AromaticContact CG-CZ3 3.86Å; W227-W231 HydrophobicContact CG-CZ3 3.86Å; W227-W231 HydrophobicContact CH2-CH2 4.34Å; W227-W231 HydrophobicContact CH2-CZ2 4.08Å; W227-W231 AromaticContact CZ3-CH2 3.77Å; W227-W231 HydrophobicContact CZ3-CH2 3.77Å; W227-W231 AromaticContact CZ3-CZ2 3.26Å; W227-W231 HydrophobicContact CZ3-CZ2 3.26Å; W227-W231 VanDerWaalsContact O-CD2 3.31Å; W227-W231 PolarHBondContact O-N 3.44Å
228Q51.7Low42.8Very low81 Ų8191.5 Ų91.538%0.37947%0.465SS..Hα-helixtrans-73.3-16.8178.1-61.7-168.612.800112.1K224 S225K224-Q228 HydrophobicContact CB-CB 4.06Å; K224-Q228 HydrophobicContact CB-CG 4.38Å; K224-Q228 HydrophobicContact CD-CB 4.13Å; K224-Q228 HydrophobicContact CG-CB 4.45Å; S225-Q228 PolarHBondContact O-N 2.92Å
229Y50.6Low41.6Very low16 Ų1695.5 Ų95.56%0.06348%0.481CS..Hα-helixtrans-86.4-32.3179-64.9-80.2000113.4L215 H221 K224 I226 W227L215-Y229 HydrophobicContact CB-CD1 4.3Å; H221-Y229 HydrophobicContact CB-CE1 4.37Å; H221-Y229 VanDerWaalsContact CB-OH 3.29Å; H221-Y229 WeakPolarHBondContact CB-OH 3.33Å; H221-Y229 PolarHBondContact O-OH 3.4Å; K224-Y229 HydrophobicContact CB-CE2 4.08Å; K224-Y229 WeakPolarHBondContact O-CE2 3.38Å; I226-Y229 WeakPolarHBondContact O-CB 3.26Å; I226-Y229 PolarHBondContact O-N 3.03Å; W227-Y229 PolarHBondContact O-N 2.83Å
230F54.3Low41Very low30 Ų3096.8 Ų96.813%0.13248%0.484CS..Hα-helixtrans-85.1-14.1-179.8-69.3-52.4000113.9V133 V204 A208 V212 I226V133-F230 HydrophobicContact CG1-CD2 4.13Å; V133-F230 HydrophobicContact CG1-CE1 4.5Å; V133-F230 HydrophobicContact CG1-CE2 4.02Å; V133-F230 HydrophobicContact CG1-CG 4.4Å; V133-F230 HydrophobicContact CG1-CZ 4.24Å; V133-F230 HydrophobicContact CG2-CD1 3.52Å; V133-F230 HydrophobicContact CG2-CD2 4.5Å; V133-F230 HydrophobicContact CG2-CE1 3.5Å; V133-F230 HydrophobicContact CG2-CE2 4.46Å; V133-F230 HydrophobicContact CG2-CG 4.05Å; V133-F230 HydrophobicContact CG2-CZ 4.01Å; V204-F230 HydrophobicContact CG1-CE1 4.02Å; V204-F230 HydrophobicContact CG1-CZ 3.93Å; V204-F230 HydrophobicContact CG2-CE2 4.49Å; V204-F230 HydrophobicContact CG2-CZ 3.87Å; A208-F230 HydrophobicContact CB-CE1 4.32Å; V212-F230 HydrophobicContact CG2-CD1 3.78Å; V212-F230 HydrophobicContact CG2-CE1 3.33Å; V212-F230 HydrophobicContact CG2-CZ 3.98Å; I226-F230 HydrophobicContact CD1-CD2 4.46Å; I226-F230 HydrophobicContact CD1-CE2 3.7Å; I226-F230 HydrophobicContact CG1-CD2 3.71Å; I226-F230 HydrophobicContact CG1-CE2 3.33Å; I226-F230 HydrophobicContact CG1-CZ 4.39Å; I226-F230 WeakPolarHBondContact O-CD2 3.22Å; I226-F230 PolarHBondContact O-N 3.43Å
231W52.1Low40.3Very low57 Ų5795.7 Ų95.722%0.21649%0.486CS..SBendtrans-120.87.1-174.2-52.2-34.6000115.4L165 Y168 W227 E233L165-W231 HydrophobicContact CD2-CH2 4.2Å; L165-W231 HydrophobicContact CD2-CZ2 3.27Å; L165-W231 HydrophobicContact CG-CZ2 4.04Å; Y168-W231 VanDerWaalsContact CB-CZ3 3.49Å; Y168-W231 AromaticContact CD1-CH2 3.25Å; Y168-W231 HydrophobicContact CD1-CH2 3.25Å; Y168-W231 HydrophobicContact CD1-CZ2 4.5Å; Y168-W231 AromaticContact CD1-CZ3 3.42Å; Y168-W231 HydrophobicContact CD1-CZ3 3.42Å; Y168-W231 VanDerWaalsContact CD1-CZ3 3.42Å; Y168-W231 HydrophobicContact CE1-CH2 4.25Å; Y168-W231 AromaticContact CG-CH2 3.46Å; Y168-W231 HydrophobicContact CG-CH2 3.46Å; Y168-W231 VanDerWaalsContact CG-CH2 3.46Å; Y168-W231 HydrophobicContact CG-CZ2 4.44Å; Y168-W231 AromaticContact CG-CZ3 3.85Å; Y168-W231 HydrophobicContact CG-CZ3 3.85Å; Y168-W231 WeakPolarHBondContact O-CZ3 3.32Å; W227-W231 HydrophobicContact CB-CE3 4.05Å; W227-W231 HydrophobicContact CB-CH2 3.47Å; W227-W231 VanDerWaalsContact CB-CH2 3.47Å; W227-W231 HydrophobicContact CB-CZ2 4.35Å; W227-W231 HydrophobicContact CB-CZ3 3.36Å; W227-W231 AromaticContact CD2-CH2 3.22Å; W227-W231 HydrophobicContact CD2-CH2 3.22Å; W227-W231 AromaticContact CD2-CZ2 3.64Å; W227-W231 HydrophobicContact CD2-CZ2 3.64Å; W227-W231 HydrophobicContact CD2-CZ3 4.13Å; W227-W231 AromaticContact CE3-CE2 3.85Å; W227-W231 AromaticContact CE3-CH2 3.13Å; W227-W231 HydrophobicContact CE3-CH2 3.13Å; W227-W231 AromaticContact CE3-CZ2 2.97Å; W227-W231 HydrophobicContact CE3-CZ2 2.97Å; W227-W231 HydrophobicContact CE3-CZ3 4.2Å; W227-W231 AromaticContact CG-CH2 3.43Å; W227-W231 HydrophobicContact CG-CH2 3.43Å; W227-W231 VanDerWaalsContact CG-CH2 3.43Å; W227-W231 HydrophobicContact CG-CZ2 4.26Å; W227-W231 AromaticContact CG-CZ3 3.86Å; W227-W231 HydrophobicContact CG-CZ3 3.86Å; W227-W231 HydrophobicContact CH2-CH2 4.34Å; W227-W231 HydrophobicContact CH2-CZ2 4.08Å; W227-W231 AromaticContact CZ3-CH2 3.77Å; W227-W231 HydrophobicContact CZ3-CH2 3.77Å; W227-W231 AromaticContact CZ3-CZ2 3.26Å; W227-W231 HydrophobicContact CZ3-CZ2 3.26Å; W227-W231 VanDerWaalsContact O-CD2 3.31Å; W227-W231 PolarHBondContact O-N 3.44Å; W231-E233 PolarHBondContact O-N 3.38Å
232S37.4Very low39.4Very low69 Ų69102.7 Ų102.748%0.48353%0.525SS..SBendtrans-65.6127.4160.443.60000108.6
233E35.9Very low39Very low105 Ų10597.2 Ų97.249%0.49153%0.527SS..  trans-44.1147.3-164.7-63.9176.9144.500114.5S181 N183 W231S181-E233 PolarHBondContact OG-OE1 3.12Å; S181-E233 VanDerWaalsContact OG-OE1 3.1Å; N183-E233 PolarHBondContact ND2-OE1 3.09Å; W231-E233 PolarHBondContact O-N 3.38Å
234P33.3Very low38.4Very low100 Ų10097.2 Ų97.265%0.64953%0.531SS*.PPolyproline II helixtrans-55.9137.4164.926.5-32000107.8E236P234-E236 PolarHBondContact O-N 3.24Å
235P27.9Very low37.8Very low116 Ų11698.9 Ų98.975%0.75355%0.552SS**PPolyproline II helixtrans-54.9130.4-177.921.6-31.3000109.5I237P235-I237 PolarHBondContact O-N 3.5Å
236E28.1Very low36.7Very low153 Ų153104.1 Ų104.172%0.71558%0.576SS**PPolyproline II helixtrans-52.9128.7174.3-68.6-177.7158.700108.9P234 N238P234-E236 PolarHBondContact O-N 3.24Å; E236-N238 PolarHBondContact O-N 3.24Å
237I27.1Very low35.7Very low148 Ų148112.6 Ų112.676%0.75962%0.616SS**  trans-66.8106.8167.8-62.1169.6000105.2P235 Q239P235-I237 PolarHBondContact O-N 3.5Å; I237-Q239 HydrophobicContact CG2-CG 4.19Å; I237-Q239 PolarHBondContact O-N 3.14Å
238N26.7Very low34.4Very low129 Ų129121.7 Ų121.769%0.6966%0.655SS**  trans-60.993.3165.1-70.7-12.3000108E236 E240E236-N238 PolarHBondContact O-N 3.24Å; N238-E240 PolarHBondContact O-N 3.28Å
239Q26.5Very low33.3Very low184 Ų184127.4 Ų127.486%0.8668%0.679SS**  trans-81.175.2154.7-74-174.91.900107.3I237I237-Q239 HydrophobicContact CG2-CG 4.19Å; I237-Q239 PolarHBondContact O-N 3.14Å
240E30.6Very low32.2Very low170 Ų170135.1 Ų135.179%0.79472%0.716SS**  trans-131132.6161.5-70.2-173.9167.100105.4N238N238-E240 PolarHBondContact O-N 3.28Å
241A30.8Very low30.8Very low93 Ų93139.6 Ų139.677%0.76975%0.746SS**  cis-162.3155-10.800000104.2G243A241-G243 PolarHBondContact O-N 3.28Å
242N26.5Very low29.5Very low177 Ų177143.6 Ų143.695%0.94777%0.771SS**  trans-44.1128.3179.1-61.2-39.1000113.6
243G31.3Very low29Very low75 Ų75147.1 Ų147.177%0.77379%0.785SS**  trans-146.199.5166.700000109.1A241A241-G243 PolarHBondContact O-N 3.28Å
244E28.8Very low28.6Very low198 Ų198148.1 Ų148.193%0.92579%0.793SS**  trans-60133172.9-67.5168.314600111.1
245S32.6Very low28.2Very low115 Ų115152.2 Ų152.280%0.80480%0.8SS**  trans-165.2115.4138.255.90000109.7
246D28.3Very low28Very low161 Ų161153.9 Ų153.986%0.86180%0.803SS**  trans-48.3137.9161.7-74.3-51000111.7
247E33.5Very low27.8Very low181 Ų181156.6 Ų156.685%0.84681%0.808SS**  -168.9134.5128.3-106.2177.9-166.100111.7
248K27.8Very low27.7Very low197 Ų197156.2 Ų156.286%0.85781%0.806SS**  trans-73.9125.1-177.5-66.8168.4174.9173.80111
249F29.7Very low27.6Very low201 Ų201156.4 Ų156.488%0.88280%0.803SS**  trans-147105151.8-90.4-80.2000110.7
250E26.4Very low27.4Very low179 Ų179152.8 Ų152.884%0.83680%0.796SS**  trans-82125.8159.3-76-177.6152.200109
251T26.6Very low27.2Very low123 Ų123154.5 Ų154.576%0.75580%0.797SS**  159.7128.5118.837.40000111.4
252N24.4Very low27.3Very low141 Ų141158.6 Ų158.675%0.75480%0.8SS**  trans52.298.1148.6-61.7-20000118.2
253N27Very low28.4Very low144 Ų144153 Ų15377%0.7777%0.772SS**  168.5126.7123.3-90.6-37.8000111.7
254I26.5Very low29.7Very low126 Ų126150.6 Ų150.665%0.64675%0.747SS**  trans67.2111.2133.9-57.1170.5000117.1
255K24.5Very low32Very low185 Ų185143.2 Ų143.280%0.80472%0.724SS**  trans60.8100.5146.5-62.4170-174.1176.40117.1
256N23.5Very low34.5Very low152 Ų152138.1 Ų138.181%0.81369%0.689SS**  trans-143.576143.3-89-28.5000108.8I258N256-I258 HydrophobicContact CB-CG1 4.47Å; N256-I258 PolarHBondContact O-N 2.99Å
257Y25Very low37.4Very low210 Ų210130.5 Ų130.582%0.82465%0.648SS**  trans-69.587152.8-97.4-93.9000106.1E259Y257-E259 HydrophobicContact CD1-CG 4.05Å; Y257-E259 PolarHBondContact O-N 3.49Å; Y257-E259 VanDerWaalsContact O-N 3.11Å
258I24.8Very low40Very low139 Ų139122.4 Ų122.471%0.71361%0.61SS**  trans-79.578.2158.1-60.1174.7000104.6N256 C260N256-I258 HydrophobicContact CB-CG1 4.47Å; N256-I258 PolarHBondContact O-N 2.99Å; I258-C260 PolarHBondContact O-N 2.81Å
259E24.1Very low43.1Very low134 Ų134114.4 Ų114.463%0.62658%0.576SS**  trans-62.1103.5162.6-88.7178.4168.400106.7Y257 Y261Y257-E259 HydrophobicContact CD1-CG 4.05Å; Y257-E259 PolarHBondContact O-N 3.49Å; Y257-E259 VanDerWaalsContact O-N 3.11Å; E259-Y261 PolarHBondContact O-N 3.44Å
260C22.5Very low46.1Very low107 Ų107108.4 Ų108.472%0.72355%0.551SS**  trans-53.3109.8164-76.30000108.1I258 Q262I258-C260 PolarHBondContact O-N 2.81Å; C260-Q262 PolarHBondContact O-N 3.14Å
261Y25.8Very low49.2Very low207 Ų207100.7 Ų100.781%0.81252%0.515SS*.  trans-67.177.1166.2-74.4-85.5000108.9E259 T263E259-Y261 PolarHBondContact O-N 3.44Å; Y261-T263 PolarHBondContact O-N 2.84Å
262Q33.9Very low52.3Low179 Ų179105 Ų10584%0.83652%0.517SS*.  trans-70.8107.4158-75.9-175.4-10.900106.5C260 G264C260-Q262 PolarHBondContact O-N 3.14Å; Q262-G264 PolarHBondContact O-N 3.09Å
263T48.8Very low55.1Low59 Ų59100 Ų10036%0.36249%0.49SS..  trans-59.6105.5165.841.50000107.7H211 Y261 G265H211-T263 WeakPolarHBondContact CD2-CG2 3.41Å; H211-T263 WeakPolarHBondContact NE2-CG2 3.41Å; Y261-T263 PolarHBondContact O-N 2.84Å; T263-G265 PolarHBondContact O-N 3.48Å
264G59.3Low57.9Low24 Ų24100 Ų10025%0.24748%0.483CS..  trans-52.9139.8176.600000110.4S132 Q262S132-G264 WeakPolarHBondContact CB-O 3.48Å; S132-G264 PolarHBondContact N-O 3.47Å; S132-G264 VanDerWaalsContact N-O 3.15Å; S132-G264 VanDerWaalsContact OG-CA 3.3Å; S132-G264 WeakPolarHBondContact OG-CA 3.28Å; S132-G264 PolarHBondContact OG-N 2.91Å; S132-G264 PolarHBondContact OG-O 3.1Å; Q262-G264 PolarHBondContact O-N 3.09Å
265G77.6Confident60.8Low43 Ų4395.1 Ų95.144%0.44346%0.458SS..  trans-64.1-178.6-172.700000114.6A131 S132 T263A131-G265 CarbonylContact C-O 3.53Å; A131-G265 WeakPolarHBondContact CA-O 3.18Å; A131-G265 WeakPolarHBondContact CB-O 3.37Å; S132-G265 PolarHBondContact N-O 2.88Å; T263-G265 PolarHBondContact O-N 3.48Å
266T84.8Confident63.9Low9 Ų986.3 Ų86.36%0.05542%0.42CS..EExtended strand (participates in β ladder)trans-89138.8171.3-59.40000109.8V133 L165V133-T266 HydrophobicContact CB-CG2 4.1Å; V133-T266 HydrophobicContact CG1-CG2 4.12Å; V133-T266 CarbonylContact O-C 3.56Å; V133-T266 WeakPolarHBondContact O-CA 3.39Å; L165-T266 HydrophobicContact CB-CG2 4.14Å; L165-T266 HydrophobicContact CD2-CG2 4.13Å; L165-T266 PolarHBondContact N-O 3.32Å
267C88.4Confident67.3Low0 Ų079.3 Ų79.30%038%0.383CS..EExtended strand (participates in β ladder)trans-122.7155.2171.9700000112.7A131 V133 V134 A135 S163A131-C267 HydrophobicContact CB-CB 4.04Å; A131-C267 VanDerWaalsContact CB-SG 3.52Å; V133-C267 PolarHBondContact O-N 3.1Å; V134-C267 WeakPolarHBondContact CA-O 3.31Å; V134-C267 WeakPolarHBondContact CG2-SG 3.49Å; A135-C267 PolarHBondContact N-O 3.48Å; S163-C267 CarbonylContact O-C 3.58Å; S163-C267 WeakPolarHBondContact O-CA 3.46Å; S163-C267 WeakPolarHBondContact O-CB 3.07Å
268I89.5Confident70.5Confident11 Ų1169.8 Ų69.86%0.05635%0.346CS..EExtended strand (participates in β ladder)trans-91.6136.5172.4-68.1-169.7000109.5F137 T156 T158 S163 L165F137-I268 HydrophobicContact CB-CG2 3.98Å; F137-I268 HydrophobicContact CD2-CB 4.25Å; F137-I268 HydrophobicContact CD2-CD1 3.83Å; F137-I268 HydrophobicContact CD2-CG1 3.77Å; F137-I268 HydrophobicContact CD2-CG2 3.77Å; F137-I268 HydrophobicContact CE2-CD1 3.84Å; F137-I268 HydrophobicContact CE2-CG1 3.78Å; F137-I268 HydrophobicContact CG-CD1 4.2Å; F137-I268 HydrophobicContact CG-CG2 4.12Å; F137-I268 HydrophobicContact CZ-CD1 4.25Å; T156-I268 HydrophobicContact CG2-CD1 3.87Å; T158-I268 HydrophobicContact CG2-CD1 3.72Å; T158-I268 HydrophobicContact CG2-CG1 4.29Å; S163-I268 PolarHBondContact O-N 2.97Å; L165-I268 HydrophobicContact CB-CG1 4.11Å; L165-I268 HydrophobicContact CD1-CD1 3.72Å; L165-I268 HydrophobicContact CD1-CG1 4.14Å; L165-I268 HydrophobicContact CD2-CD1 4.19Å; L165-I268 HydrophobicContact CD2-CG1 3.96Å; L165-I268 HydrophobicContact CG-CD1 4.4Å; L165-I268 HydrophobicContact CG-CG1 4.31Å
269H92.3Very high73.6Confident30 Ų3065 Ų6514%0.13932%0.321CS..EExtended strand (participates in β ladder)trans-107107.3159.5-176.388.5000108.3T125 V134 A135 V136 F137 H271T125-H269 PolarHBondContact OG1-ND1 3.35Å; V134-H269 HydrophobicContact CG1-CB 3.7Å; A135-H269 PolarHBondContact O-N 3.38Å; V136-H269 WeakPolarHBondContact CA-O 3.3Å; V136-H269 HydrophobicContact CG2-CB 4.49Å; F137-H269 PolarHBondContact N-O 2.9Å; H269-H271 PolarHBondContact O-N 3Å
270E92.2Very high76.8Confident75 Ų7558.7 Ų58.735%0.3529%0.291SS..EExtended strand (participates in β ladder)trans-78.6102.4176.3-178.7174.4178.800109.5F137 R193 L196F137-E270 CarbonylContact O-C 3.54Å; F137-E270 WeakPolarHBondContact O-CA 3.34Å; R193-E270 IonicContact CZ-OE1 3.75Å; R193-E270 IonicContact CZ-OE2 2.93Å; R193-E270 VanDerWaalsContact NH1-CD 3.29Å; R193-E270 IonicContact NH1-OE1 2.68Å; R193-E270 PolarHBondContact NH1-OE1 2.84Å; R193-E270 IonicContact NH1-OE2 3.4Å; R193-E270 PolarHBondContact NH1-OE2 3.42Å; R193-E270 IonicContact NH2-OE1 3.4Å; R193-E270 PolarHBondContact NH2-OE1 3.08Å; R193-E270 IonicContact NH2-OE2 3.74Å; L196-E270 HydrophobicContact CD2-CG 3.92Å
271H92.8Very high79.7Confident17 Ų1759.2 Ų59.28%0.07928%0.283CS..  trans-80.2130177.7-176.948.2000110.5S115 E116 I117 V136 F137 S138 H269 D273 S277S115-H271 PolarHBondContact O-CE1 3.33Å; S115-H271 PolarHBondContact O-NE2 3.32Å; E116-H271 PolarHBondContact O-CE1 3.11Å; I117-H271 HydrophobicContact CD1-CB 4.27Å; V136-H271 HydrophobicContact CG1-CB 3.71Å; F137-H271 PolarHBondContact O-N 3.33Å; S138-H271 PolarHBondContact OG-O 3.26Å; H269-H271 PolarHBondContact O-N 3Å; H271-D273 IonicContact CD2-OD1 2.65Å; H271-D273 PolarHBondContact CD2-OD1 2.77Å; H271-D273 IonicContact NE2-OD1 3.86Å; H271-D273 PolarHBondContact NE2-OD1 3.46Å; H271-D273 PolarHBondContact O-N 2.7Å; H271-S277 PolarHBondContact CD2-OG 2.83Å
272R89.8Confident82.7Confident214 Ų21451.8 Ų51.881%0.80826%0.257SS*.  trans-96.688.5178.7-68.5-176.1-179.4171.20.9109.4K274R272-K274 PolarHBondContact O-N 2.8Å
273D84.2Confident85.5Confident35 Ų3543.3 Ų43.319%0.18722%0.217CC..  trans-61.6133.6-178.1-80.1-43.5000113.8S138 H271 S277S138-D273 WeakPolarHBondContact CB-OD2 3.18Å; S138-D273 VanDerWaalsContact OG-CG 3.27Å; S138-D273 PolarHBondContact OG-OD2 2.89Å; H271-D273 IonicContact CD2-OD1 2.65Å; H271-D273 PolarHBondContact CD2-OD1 2.77Å; H271-D273 IonicContact NE2-OD1 3.86Å; H271-D273 PolarHBondContact NE2-OD1 3.46Å; H271-D273 PolarHBondContact O-N 2.7Å; D273-S277 VanDerWaalsContact CG-OG 3.28Å; D273-S277 VanDerWaalsContact OD1-CB 3.22Å; D273-S277 WeakPolarHBondContact OD1-CB 3.46Å; D273-S277 PolarHBondContact OD1-N 2.88Å; D273-S277 PolarHBondContact OD1-OG 2.8Å; D273-S277 WeakPolarHBondContact OD2-CA 3.2Å; D273-S277 WeakPolarHBondContact OD2-CB 3.28Å; D273-S277 PolarHBondContact OD2-N 3.32Å; D273-S277 PolarHBondContact OD2-OG 3.24Å
274K85Confident87.6Confident144 Ų14442 Ų4263%0.62621%0.208SC*.SBendtrans-78.7-38.3165.6-63.8-177.7-173.3170.50112E116 R272 K296E116-K274 VanDerWaalsContact OE2-CD 3.31Å; E116-K274 WeakPolarHBondContact OE2-CD 3.36Å; E116-K274 WeakPolarHBondContact OE2-CE 3.26Å; E116-K274 IonicContact OE2-NZ 2.83Å; E116-K274 PolarHBondContact OE2-NZ 3.39Å; R272-K274 PolarHBondContact O-N 2.8Å; K274-K296 PolarHBondContact O-NZ 3.35Å
275I87.2Confident89.2Confident24 Ų2441.6 Ų41.612%0.12320%0.2CC..SBendtrans-114.7-78.2-176.7-56.4178.2000109.5I293 K296I275-I293 HydrophobicContact CG2-CG1 3.75Å; I275-K296 HydrophobicContact CB-CD 4.03Å; I275-K296 HydrophobicContact CD1-CB 4.21Å; I275-K296 HydrophobicContact CG1-CB 4.04Å; I275-K296 HydrophobicContact CG1-CD 3.95Å; I275-K296 HydrophobicContact CG2-CB 4.26Å; I275-K296 HydrophobicContact CG2-CD 3.86Å; I275-K296 PolarHBondContact O-NZ 3.03Å
276I91.2Very high89.9Confident0 Ų039.5 Ų39.50%018%0.179CC..  trans-169.8137.6177-172.4165.1000110.7S115 L140 P141 F148 V278 T289 L292 I293S115-I276 WeakPolarHBondContact CB-O 3.39Å; S115-I276 PolarHBondContact OG-N 3.38Å; S115-I276 PolarHBondContact OG-O 3Å; L140-I276 HydrophobicContact CD2-CD1 4.3Å; L140-I276 HydrophobicContact CD2-CG1 4.48Å; P141-I276 HydrophobicContact CG-CD1 4.17Å; P141-I276 HydrophobicContact CG-CG1 4.49Å; F148-I276 HydrophobicContact CD2-CD1 4.34Å; F148-I276 HydrophobicContact CE1-CD1 4.16Å; F148-I276 HydrophobicContact CE2-CD1 3.6Å; F148-I276 HydrophobicContact CZ-CD1 3.48Å; F148-I276 VanDerWaalsContact CZ-CD1 3.48Å; I276-V278 HydrophobicContact CD1-CB 4.49Å; I276-V278 HydrophobicContact CD1-CG1 4.05Å; I276-V278 HydrophobicContact CG1-CB 4.27Å; I276-V278 HydrophobicContact CG1-CG1 4.04Å; I276-T289 WeakPolarHBondContact CD1-OG1 3.28Å; I276-T289 HydrophobicContact CG2-CG2 3.68Å; I276-L292 HydrophobicContact CD1-CD1 4.28Å; I276-I293 HydrophobicContact CG2-CD1 4.42Å; I276-I293 HydrophobicContact CG2-CG1 4.28Å
277S93.3Very high90.3Very high4 Ų439.3 Ų39.33%0.02818%0.178CC..  trans-123119.1165.7-63.80000109.4V113 I114 S115 H271 D273V113-S277 CarbonylContact O-C 3.54Å; V113-S277 WeakPolarHBondContact O-CA 3.07Å; I114-S277 VanDerWaalsContact CA-OG 3.3Å; I114-S277 WeakPolarHBondContact CA-OG 3.28Å; S115-S277 PolarHBondContact N-OG 3.09Å; H271-S277 PolarHBondContact CD2-OG 2.83Å; D273-S277 VanDerWaalsContact CG-OG 3.28Å; D273-S277 VanDerWaalsContact OD1-CB 3.22Å; D273-S277 WeakPolarHBondContact OD1-CB 3.46Å; D273-S277 PolarHBondContact OD1-N 2.88Å; D273-S277 PolarHBondContact OD1-OG 2.8Å; D273-S277 WeakPolarHBondContact OD2-CA 3.2Å; D273-S277 WeakPolarHBondContact OD2-CB 3.28Å; D273-S277 PolarHBondContact OD2-N 3.32Å; D273-S277 PolarHBondContact OD2-OG 3.24Å
278V92.9Very high90.5Very high10 Ų1040.6 Ų40.66%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-154.1144.4-173.365.90000110.2V113 L140 I276 F280 I285 T289V113-V278 PolarHBondContact N-O 2.72Å; V113-V278 PolarHBondContact O-N 3.04Å; L140-V278 HydrophobicContact CD2-CB 4.18Å; L140-V278 HydrophobicContact CD2-CG2 4.01Å; I276-V278 HydrophobicContact CD1-CB 4.49Å; I276-V278 HydrophobicContact CD1-CG1 4.05Å; I276-V278 HydrophobicContact CG1-CB 4.27Å; I276-V278 HydrophobicContact CG1-CG1 4.04Å; V278-F280 HydrophobicContact CG1-CD1 4.08Å; V278-F280 HydrophobicContact CG1-CE1 3.74Å; V278-I285 HydrophobicContact CG2-CG2 4.05Å; V278-T289 HydrophobicContact CG1-CG2 4.23Å; V278-T289 WeakPolarHBondContact CG1-OG1 3.24Å
279K91Very high90.7Very high40 Ų4040 Ų4017%0.17418%0.181CC..EExtended strand (participates in β ladder)trans-88.9124.7165.8-174.4178.9175.2-176.70109.2Y109 E281Y109-K279 HydrophobicContact CD2-CD 4.15Å; K279-E281 PolarHBondContact O-N 3.14Å
280F89.6Confident90.7Very high1 Ų138.6 Ų38.60%0.00418%0.175CC..  trans-75.2114.8179.4-55.1-47.1000110.9L14 L28 V33 N111 V113 V278 I285 Y286 T289L14-F280 HydrophobicContact CD1-CB 3.55Å; L14-F280 WeakPolarHBondContact CD1-O 3.42Å; L28-F280 HydrophobicContact CD1-CZ 4.21Å; V33-F280 HydrophobicContact CG2-CE2 3.96Å; N111-F280 HydrophobicContact CB-CB 4.24Å; N111-F280 PolarHBondContact ND2-O 3.07Å; N111-F280 VanDerWaalsContact O-CD2 3.24Å; N111-F280 WeakPolarHBondContact O-CD2 3.42Å; N111-F280 WeakPolarHBondContact O-CG 3.32Å; N111-F280 PolarHBondContact O-N 3.44Å; V113-F280 HydrophobicContact CB-CE2 4.41Å; V113-F280 HydrophobicContact CB-CZ 4.03Å; V113-F280 HydrophobicContact CG2-CE1 4.38Å; V113-F280 HydrophobicContact CG2-CE2 3.41Å; V113-F280 VanDerWaalsContact CG2-CE2 3.41Å; V113-F280 HydrophobicContact CG2-CZ 3.34Å; V278-F280 HydrophobicContact CG1-CD1 4.08Å; V278-F280 HydrophobicContact CG1-CE1 3.74Å; F280-I285 HydrophobicContact CD1-CG2 4.05Å; F280-Y286 HydrophobicContact CD2-CD2 4.25Å; F280-Y286 AromaticContact CE2-CD2 3.79Å; F280-Y286 HydrophobicContact CE2-CD2 3.79Å; F280-Y286 AromaticContact CZ-CD2 3.94Å; F280-Y286 HydrophobicContact CZ-CD2 3.94Å; F280-T289 HydrophobicContact CE1-CG2 3.6Å; F280-T289 HydrophobicContact CZ-CG2 3.67Å
281E84.3Confident90.7Very high118 Ų11836.1 Ų36.155%0.55116%0.162SC*.SBendtrans-100.5-24.3170.7-60.7-174.6159.500112.1K279K279-E281 PolarHBondContact O-N 3.14Å
282D88.9Confident90.6Very high51 Ų5135.3 Ų35.327%0.27316%0.158SC..SBendtrans-134.7136.9-177.1-177.2-28.1000109.4L284 I285 Y286D282-L284 PolarHBondContact O-N 2.86Å; D282-L284 VanDerWaalsContact O-N 3.15Å; D282-L284 PolarHBondContact OD1-N 2.86Å; D282-I285 HydrophobicContact CB-CD1 4.09Å; D282-I285 HydrophobicContact CB-CG1 4.13Å; D282-I285 WeakPolarHBondContact O-CB 3.15Å; D282-I285 PolarHBondContact O-N 2.92Å; D282-Y286 PolarHBondContact O-N 2.94Å
283P91.9Very high90.6Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-45.1-36.4168.3-31.135000115.6E13 L14 L17 Y286 A287 V363 T380E13-P283 HydrophobicContact CB-CG 3.84Å; L14-P283 HydrophobicContact CD2-CB 4.35Å; L14-P283 HydrophobicContact CD2-CG 4.07Å; L17-P283 HydrophobicContact CD1-CB 3.99Å; L17-P283 HydrophobicContact CD1-CG 4.12Å; L17-P283 HydrophobicContact CD2-CB 4.45Å; L17-P283 HydrophobicContact CD2-CG 4.47Å; L17-P283 HydrophobicContact CG-CG 4.41Å; P283-Y286 WeakPolarHBondContact O-CA 3.3Å; P283-Y286 VanDerWaalsContact O-CB 3.28Å; P283-Y286 WeakPolarHBondContact O-CB 3.45Å; P283-Y286 PolarHBondContact O-N 3.07Å; P283-A287 PolarHBondContact O-N 3.41Å; P283-V363 HydrophobicContact CB-CB 4.41Å; P283-V363 HydrophobicContact CB-CG2 4.34Å; P283-V363 WeakPolarHBondContact O-CG2 3.45Å; P283-T380 HydrophobicContact CB-CG2 3.68Å; P283-T380 HydrophobicContact CG-CG2 4.38Å
284L93.2Very high90.9Very high31 Ų3123.9 Ų23.916%0.16211%0.113CC..Hα-helixtrans-66.9-36.4178.7-66.4-179.7000112.5L147 D282 Y286 A287 E288 T380L147-L284 HydrophobicContact CD2-CB 4.09Å; L147-L284 WeakPolarHBondContact CD2-O 3.24Å; D282-L284 PolarHBondContact O-N 2.86Å; D282-L284 VanDerWaalsContact O-N 3.15Å; D282-L284 PolarHBondContact OD1-N 2.86Å; L284-Y286 VanDerWaalsContact C-N 3.29Å; L284-A287 PolarHBondContact O-N 2.74Å; L284-E288 PolarHBondContact O-N 3.04Å; L284-E288 VanDerWaalsContact O-N 3.08Å; L284-T380 HydrophobicContact CD2-CG2 3.65Å; L284-T380 HydrophobicContact CG-CG2 3.78Å
285I92.7Very high91Very high16 Ų1619.9 Ų19.98%0.08210%0.097CC..Hα-helixtrans-62.6-42.8172.5-61.4174000108.9F148 I151 V278 F280 D282 A287 E288 T289F148-I285 HydrophobicContact CE1-CG2 4.1Å; I151-I285 HydrophobicContact CD1-CD1 3.83Å; I151-I285 HydrophobicContact CD1-CG1 3.88Å; V278-I285 HydrophobicContact CG2-CG2 4.05Å; F280-I285 HydrophobicContact CD1-CG2 4.05Å; D282-I285 HydrophobicContact CB-CD1 4.09Å; D282-I285 HydrophobicContact CB-CG1 4.13Å; D282-I285 WeakPolarHBondContact O-CB 3.15Å; D282-I285 PolarHBondContact O-N 2.92Å; I285-A287 PolarHBondContact O-N 2.85Å; I285-E288 PolarHBondContact O-N 3.4Å; I285-T289 WeakPolarHBondContact O-CB 3.08Å; I285-T289 PolarHBondContact O-N 3.36Å; I285-T289 PolarHBondContact O-OG1 2.78Å; I285-T289 VanDerWaalsContact O-OG1 3.07Å
286Y93.7Very high90.9Very high0 Ų020.8 Ų20.80%010%0.1CC..Hα-helixtrans-58.2-47174.3158.9-105.5000112.4L26 P27 F280 D282 P283 L284 E288 T289 N290 V346 V363L26-Y286 HydrophobicContact CB-CE2 3.87Å; L26-Y286 HydrophobicContact CD1-CD2 4.46Å; L26-Y286 HydrophobicContact CD1-CE1 4.46Å; L26-Y286 HydrophobicContact CD1-CE2 4.38Å; P27-Y286 VanDerWaalsContact CD-OH 3.3Å; P27-Y286 WeakPolarHBondContact CD-OH 3.43Å; P27-Y286 WeakPolarHBondContact CG-OH 3.39Å; P27-Y286 VanDerWaalsContact O-CE2 3.24Å; P27-Y286 WeakPolarHBondContact O-CE2 3.3Å; P27-Y286 PolarHBondContact O-OH 3.12Å; F280-Y286 HydrophobicContact CD2-CD2 4.25Å; F280-Y286 AromaticContact CE2-CD2 3.79Å; F280-Y286 HydrophobicContact CE2-CD2 3.79Å; F280-Y286 AromaticContact CZ-CD2 3.94Å; F280-Y286 HydrophobicContact CZ-CD2 3.94Å; D282-Y286 PolarHBondContact O-N 2.94Å; P283-Y286 WeakPolarHBondContact O-CA 3.3Å; P283-Y286 VanDerWaalsContact O-CB 3.28Å; P283-Y286 WeakPolarHBondContact O-CB 3.45Å; P283-Y286 PolarHBondContact O-N 3.07Å; L284-Y286 VanDerWaalsContact C-N 3.29Å; Y286-E288 VanDerWaalsContact C-N 3.33Å; Y286-E288 PolarHBondContact O-N 3.26Å; Y286-T289 PolarHBondContact O-N 3.14Å; Y286-N290 WeakPolarHBondContact O-CB 3.43Å; Y286-N290 PolarHBondContact O-N 2.6Å; Y286-V346 HydrophobicContact CE1-CB 4.36Å; Y286-V346 HydrophobicContact CE1-CG1 3.89Å; Y286-V346 HydrophobicContact CE1-CG2 4.48Å; Y286-V363 HydrophobicContact CD1-CG1 4.29Å; Y286-V363 HydrophobicContact CD1-CG2 4.45Å; Y286-V363 HydrophobicContact CE1-CG1 4.25Å
287A93.1Very high90.2Very high5 Ų523.5 Ų23.54%0.04112%0.119CC..Hα-helixtrans-57.9-46.8178.900000112.2P283 L284 I285 N290 R291 V346 V363P283-A287 PolarHBondContact O-N 3.41Å; L284-A287 PolarHBondContact O-N 2.74Å; I285-A287 PolarHBondContact O-N 2.85Å; A287-N290 PolarHBondContact O-N 3.03Å; A287-R291 PolarHBondContact O-N 3.15Å; A287-V346 HydrophobicContact CB-CG2 4.2Å; A287-V363 HydrophobicContact CB-CG2 3.34Å
288E92.7Very high88.7Confident26 Ų2624.9 Ų24.912%0.12113%0.128CC..Hα-helixtrans-71-37.7-177-173.869.5170.800111.8S145 L147 F148 L284 I285 Y286 R291 L292S145-E288 WeakPolarHBondContact CB-OE1 3.3Å; S145-E288 VanDerWaalsContact OG-CD 3.28Å; S145-E288 WeakPolarHBondContact OG-CG 3Å; S145-E288 PolarHBondContact OG-OE1 2.96Å; L147-E288 HydrophobicContact CB-CG 4.44Å; L147-E288 HydrophobicContact CD2-CB 3.84Å; L147-E288 HydrophobicContact CD2-CG 4.29Å; F148-E288 HydrophobicContact CD2-CG 4.17Å; F148-E288 HydrophobicContact CE1-CB 4.09Å; F148-E288 HydrophobicContact CE1-CG 3.93Å; F148-E288 HydrophobicContact CE2-CB 4.34Å; F148-E288 HydrophobicContact CE2-CG 3.5Å; F148-E288 VanDerWaalsContact CE2-CG 3.5Å; F148-E288 HydrophobicContact CZ-CB 3.72Å; F148-E288 HydrophobicContact CZ-CG 3.37Å; L284-E288 PolarHBondContact O-N 3.04Å; L284-E288 VanDerWaalsContact O-N 3.08Å; I285-E288 PolarHBondContact O-N 3.4Å; Y286-E288 VanDerWaalsContact C-N 3.33Å; Y286-E288 PolarHBondContact O-N 3.26Å; E288-R291 VanDerWaalsContact CD-NE 3.28Å; E288-R291 WeakPolarHBondContact O-CB 3.3Å; E288-R291 PolarHBondContact O-N 3.16Å; E288-R291 IonicContact OE1-CZ 3.67Å; E288-R291 IonicContact OE1-NE 2.64Å; E288-R291 PolarHBondContact OE1-NE 2.88Å; E288-R291 IonicContact OE1-NH2 3.53Å; E288-R291 PolarHBondContact OE1-NH2 3.06Å; E288-R291 IonicContact OE2-CZ 3Å; E288-R291 IonicContact OE2-NE 3.7Å; E288-R291 PolarHBondContact OE2-NE 3.34Å; E288-R291 IonicContact OE2-NH2 3.21Å; E288-L292 PolarHBondContact O-N 2.74Å
289T92.8Very high87Confident0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-62-44.8172-70.40000111.1L28 V113 I276 V278 F280 I285 Y286 R291 L292 I293L28-T289 HydrophobicContact CD1-CG2 4.21Å; V113-T289 HydrophobicContact CG1-CG2 4.47Å; I276-T289 WeakPolarHBondContact CD1-OG1 3.28Å; I276-T289 HydrophobicContact CG2-CG2 3.68Å; V278-T289 HydrophobicContact CG1-CG2 4.23Å; V278-T289 WeakPolarHBondContact CG1-OG1 3.24Å; F280-T289 HydrophobicContact CE1-CG2 3.6Å; F280-T289 HydrophobicContact CZ-CG2 3.67Å; I285-T289 WeakPolarHBondContact O-CB 3.08Å; I285-T289 PolarHBondContact O-N 3.36Å; I285-T289 PolarHBondContact O-OG1 2.78Å; I285-T289 VanDerWaalsContact O-OG1 3.07Å; Y286-T289 PolarHBondContact O-N 3.14Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 2.75Å; T289-L292 PolarHBondContact O-N 3.21Å; T289-I293 HydrophobicContact CG2-CD1 3.74Å; T289-I293 WeakPolarHBondContact O-CG1 3.32Å; T289-I293 PolarHBondContact O-N 2.76Å
290N92.9Very high84.9Confident0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-60.5-43.2176.3-164.424.9000111.1L28 G29 Y286 A287 L292 I293 I294 F329 V346L28-N290 WeakPolarHBondContact CA-OD1 3.42Å; G29-N290 PolarHBondContact N-OD1 3.01Å; Y286-N290 WeakPolarHBondContact O-CB 3.43Å; Y286-N290 PolarHBondContact O-N 2.6Å; A287-N290 PolarHBondContact O-N 3.03Å; N290-L292 PolarHBondContact O-N 3.14Å; N290-I293 PolarHBondContact O-N 3.09Å; N290-I294 VanDerWaalsContact O-CG1 3.23Å; N290-I294 WeakPolarHBondContact O-CG1 3.19Å; N290-I294 PolarHBondContact O-N 3.42Å; N290-F329 WeakPolarHBondContact ND2-CB 3.21Å; N290-V346 HydrophobicContact CB-CG2 4.1Å; N290-V346 WeakPolarHBondContact ND2-CG2 3.26Å
291R92Very high82.5Confident22 Ų2238.9 Ų38.98%0.08321%0.209CC..Hα-helixtrans-56.2-48.1174.3-173.5-169.967.575.1-3.8112E144 A287 E288 T289 I294 Q295 N344E144-R291 PolarHBondContact O-NH2 3.12Å; A287-R291 PolarHBondContact O-N 3.15Å; E288-R291 VanDerWaalsContact CD-NE 3.28Å; E288-R291 WeakPolarHBondContact O-CB 3.3Å; E288-R291 PolarHBondContact O-N 3.16Å; E288-R291 IonicContact OE1-CZ 3.67Å; E288-R291 IonicContact OE1-NE 2.64Å; E288-R291 PolarHBondContact OE1-NE 2.88Å; E288-R291 IonicContact OE1-NH2 3.53Å; E288-R291 PolarHBondContact OE1-NH2 3.06Å; E288-R291 IonicContact OE2-CZ 3Å; E288-R291 IonicContact OE2-NE 3.7Å; E288-R291 PolarHBondContact OE2-NE 3.34Å; E288-R291 IonicContact OE2-NH2 3.21Å; T289-R291 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 2.75Å; R291-I294 PolarHBondContact O-N 2.88Å; R291-Q295 VanDerWaalsContact O-CG 3.32Å; R291-Q295 WeakPolarHBondContact O-CG 3.35Å; R291-Q295 PolarHBondContact O-N 3.08Å; R291-N344 WeakPolarHBondContact CD-OD1 3.42Å
292L90.8Very high80Confident0 Ų037.5 Ų37.50%023%0.227CC..Hα-helixtrans-63.6-41.6178.8-73.2-165000112.6P141 E144 F148 I276 E288 T289 N290 I294 Q295 K296P141-L292 HydrophobicContact CB-CD1 4.3Å; P141-L292 HydrophobicContact CG-CD1 3.39Å; E144-L292 HydrophobicContact CB-CD2 3.98Å; E144-L292 WeakPolarHBondContact OE2-CD2 3.4Å; F148-L292 HydrophobicContact CD2-CD1 4.17Å; F148-L292 HydrophobicContact CE2-CD1 3.49Å; F148-L292 VanDerWaalsContact CE2-CD1 3.49Å; F148-L292 HydrophobicContact CE2-CG 4.13Å; F148-L292 HydrophobicContact CZ-CD1 4.49Å; I276-L292 HydrophobicContact CD1-CD1 4.28Å; E288-L292 PolarHBondContact O-N 2.74Å; T289-L292 PolarHBondContact O-N 3.21Å; N290-L292 PolarHBondContact O-N 3.14Å; L292-I294 PolarHBondContact O-N 3.32Å; L292-Q295 PolarHBondContact O-N 3.27Å; L292-K296 WeakPolarHBondContact O-CB 3.2Å; L292-K296 PolarHBondContact O-N 2.7Å
293I90.3Very high77.3Confident4 Ų438.9 Ų38.92%0.02124%0.24CC..Hα-helixtrans-62.5-44.5178.6-71.3164.8000110.7L28 V113 I275 I276 T289 N290 Q295 K296 S297L28-I293 HydrophobicContact CD1-CD1 3.39Å; L28-I293 HydrophobicContact CD2-CD1 3.7Å; L28-I293 HydrophobicContact CG-CD1 3.45Å; L28-I293 VanDerWaalsContact CG-CD1 3.45Å; V113-I293 HydrophobicContact CG1-CD1 4.19Å; I275-I293 HydrophobicContact CG2-CG1 3.75Å; I276-I293 HydrophobicContact CG2-CD1 4.42Å; I276-I293 HydrophobicContact CG2-CG1 4.28Å; T289-I293 HydrophobicContact CG2-CD1 3.74Å; T289-I293 WeakPolarHBondContact O-CG1 3.32Å; T289-I293 PolarHBondContact O-N 2.76Å; N290-I293 PolarHBondContact O-N 3.09Å; I293-Q295 VanDerWaalsContact C-N 3.34Å; I293-Q295 PolarHBondContact O-N 2.82Å; I293-K296 PolarHBondContact O-N 2.87Å; I293-S297 VanDerWaalsContact O-CB 3.26Å; I293-S297 WeakPolarHBondContact O-CB 3.24Å; I293-S297 PolarHBondContact O-N 2.65Å; I293-S297 PolarHBondContact O-OG 2.87Å
294I89.3Confident74.3Confident5 Ų548.4 Ų48.43%0.02629%0.285CS..Hα-helixtrans-61.1-45.5177.1-66.7170.9000110.6N290 R291 L292 F310 I312 F329N290-I294 VanDerWaalsContact O-CG1 3.23Å; N290-I294 WeakPolarHBondContact O-CG1 3.19Å; N290-I294 PolarHBondContact O-N 3.42Å; R291-I294 PolarHBondContact O-N 2.88Å; L292-I294 PolarHBondContact O-N 3.32Å; I294-F310 HydrophobicContact CG2-CB 4.01Å; I294-I312 HydrophobicContact CD1-CD1 3.92Å; I294-I312 HydrophobicContact CD1-CG1 4.3Å; I294-I312 HydrophobicContact CG1-CD1 3.63Å; I294-I312 HydrophobicContact CG1-CG1 4.32Å; I294-I312 HydrophobicContact CG2-CD1 4.44Å; I294-I312 HydrophobicContact CG2-CG1 4.4Å; I294-F329 HydrophobicContact CD1-CB 4.09Å
295Q86.9Confident71.6Confident60 Ų6052.7 Ų52.728%0.2830%0.304SS..Hα-helixtrans-64.7-41.9179.6-73.3-178.2-7.100112.8R291 L292 I293 S327R291-Q295 VanDerWaalsContact O-CG 3.32Å; R291-Q295 WeakPolarHBondContact O-CG 3.35Å; R291-Q295 PolarHBondContact O-N 3.08Å; L292-Q295 PolarHBondContact O-N 3.27Å; I293-Q295 VanDerWaalsContact C-N 3.34Å; I293-Q295 PolarHBondContact O-N 2.82Å; Q295-S327 PolarHBondContact NE2-OG 3.27Å
296K85Confident68.7Low43 Ų4358 Ų5819%0.18734%0.343CS..Hα-helixtrans-80.4-29.9-177.1-71.7-173.7176.4178.30113.5E144 K274 I275 L292 I293 C298 S299E144-K296 VanDerWaalsContact OE1-CE 3.22Å; E144-K296 WeakPolarHBondContact OE1-CE 3.43Å; E144-K296 IonicContact OE1-NZ 3.88Å; E144-K296 PolarHBondContact OE1-NZ 3.3Å; E144-K296 WeakPolarHBondContact OE2-CE 3.44Å; E144-K296 IonicContact OE2-NZ 3.74Å; E144-K296 PolarHBondContact OE2-NZ 2.89Å; K274-K296 PolarHBondContact O-NZ 3.35Å; I275-K296 HydrophobicContact CB-CD 4.03Å; I275-K296 HydrophobicContact CD1-CB 4.21Å; I275-K296 HydrophobicContact CG1-CB 4.04Å; I275-K296 HydrophobicContact CG1-CD 3.95Å; I275-K296 HydrophobicContact CG2-CB 4.26Å; I275-K296 HydrophobicContact CG2-CD 3.86Å; I275-K296 PolarHBondContact O-NZ 3.03Å; L292-K296 WeakPolarHBondContact O-CB 3.2Å; L292-K296 PolarHBondContact O-N 2.7Å; I293-K296 PolarHBondContact O-N 2.87Å; K296-C298 VanDerWaalsContact C-N 3.3Å; K296-C298 PolarHBondContact O-N 2.84Å; K296-S299 PolarHBondContact O-N 3.34Å; K296-S299 PolarHBondContact O-OG 3.46Å
297S77.4Confident66.1Low57 Ų5761.4 Ų61.440%0.39938%0.377SS..Hα-helixtrans-66.1-31.7179.7-59.70000112.7I293I293-S297 VanDerWaalsContact O-CB 3.26Å; I293-S297 WeakPolarHBondContact O-CB 3.24Å; I293-S297 PolarHBondContact O-N 2.65Å; I293-S297 PolarHBondContact O-OG 2.87Å
298C62.1Low64Low34 Ų3467.6 Ų67.623%0.2340%0.403CS..G310 helixtrans-82.4-14.2-177.3-64.90000114.5K296 H300 T301 F310K296-C298 VanDerWaalsContact C-N 3.3Å; K296-C298 PolarHBondContact O-N 2.84Å; C298-H300 PolarHBondContact O-N 3.31Å; C298-T301 PolarHBondContact O-N 3.45Å; C298-T301 PolarHBondContact O-OG1 3.02Å; C298-F310 HydrophobicContact CB-CD1 3.87Å; C298-F310 HydrophobicContact CB-CD2 3.41Å; C298-F310 VanDerWaalsContact CB-CD2 3.41Å; C298-F310 HydrophobicContact CB-CE1 3.78Å; C298-F310 HydrophobicContact CB-CE2 3.33Å; C298-F310 HydrophobicContact CB-CG 3.7Å; C298-F310 HydrophobicContact CB-CZ 3.52Å; C298-F310 VanDerWaalsContact SG-CG 3.53Å
299S55.8Low62.4Low83 Ų8369.7 Ų69.758%0.5841%0.413SS*.G310 helixtrans-69.3-15.4178.663.80000113.4K296K296-S299 PolarHBondContact O-N 3.34Å; K296-S299 PolarHBondContact O-OG 3.46Å
300H47.8Very low61.6Low168 Ų16873.5 Ų73.578%0.77843%0.43SS*.G310 helixtrans-93.5-13.6-176.4-69.255.4000113.7C298C298-H300 PolarHBondContact O-N 3.31Å
301T38.9Very low61.3Low93 Ų9376.3 Ų76.357%0.57145%0.445SS*.SBendtrans-95.3105.7172.152.80000108.8C298 S303C298-T301 PolarHBondContact O-N 3.45Å; C298-T301 PolarHBondContact O-OG1 3.02Å; T301-S303 PolarHBondContact O-N 3.39Å
302G31.1Very low61.3Low90 Ų9076.2 Ų76.293%0.92845%0.446SS*.  trans-62.654.1-168.700000117.8
303S33.7Very low61.3Low80 Ų8080.4 Ų80.456%0.55947%0.467SS*.  trans-99.795.1160.460.60000108.7T301 Q305T301-S303 PolarHBondContact O-N 3.39Å; S303-Q305 VanDerWaalsContact C-N 3.3Å; S303-Q305 PolarHBondContact O-N 2.91Å
304Q28.6Very low61.4Low200 Ų20083.5 Ų83.594%0.93548%0.482SS*.  trans-59.894.9164.3-70.8-177.32.500108.5
305Q35.4Very low61.5Low120 Ų12090.3 Ų90.356%0.56151%0.513SS*.  trans-123.699.9154.5-71.2-168.913.700107.3S303 G307S303-Q305 VanDerWaalsContact C-N 3.3Å; S303-Q305 PolarHBondContact O-N 2.91Å; Q305-G307 PolarHBondContact O-N 3.02Å; Q305-G307 VanDerWaalsContact O-N 3.12Å
306S32.6Very low61.8Low129 Ų12993.5 Ų93.590%0.90253%0.532SS*.THydrogen-bonded Turntrans-51.2116.1171.764.10000110.1
307G38.2Very low62.2Low70 Ų7092.9 Ų92.972%0.72253%0.533SS*.THydrogen-bonded Turntrans100.67.9162.300000119Q305Q305-G307 PolarHBondContact O-N 3.02Å; Q305-G307 VanDerWaalsContact O-N 3.12Å
308K48.9Very low63Low135 Ų13594.2 Ų94.259%0.58754%0.539SS*.  trans-100.6106.4178.4-73.8-176.7-176.31680112.4F310K308-F310 WeakPolarHBondContact O-CE2 3.48Å
309E59Low64.5Low70 Ų7095.4 Ų95.433%0.32755%0.545SS..  trans-60.4131.5165.8-77.8178.9-14800110.9R326 S327E309-R326 HydrophobicContact CB-CG 3.86Å; E309-R326 VanDerWaalsContact CD-NH2 3.31Å; E309-R326 IonicContact OE1-CZ 3.5Å; E309-R326 IonicContact OE1-NE 3.47Å; E309-R326 PolarHBondContact OE1-NE 3.32Å; E309-R326 IonicContact OE1-NH2 3.85Å; E309-R326 PolarHBondContact OE1-NH2 2.92Å; E309-R326 VanDerWaalsContact OE2-CD 3.27Å; E309-R326 WeakPolarHBondContact OE2-CD 3.41Å; E309-R326 WeakPolarHBondContact OE2-CG 3.49Å; E309-R326 IonicContact OE2-CZ 2.65Å; E309-R326 IonicContact OE2-NE 3.02Å; E309-R326 PolarHBondContact OE2-NE 3.11Å; E309-R326 IonicContact OE2-NH2 3.64Å; E309-S327 WeakPolarHBondContact CB-OG 3.09Å; E309-S327 WeakPolarHBondContact CG-OG 3.2Å; E309-S327 WeakPolarHBondContact OE2-CB 3.32Å; E309-S327 PolarHBondContact OE2-OG 3.37Å
310F76.5Confident66.3Low81 Ų8195.5 Ų95.536%0.35554%0.536SS..  trans-86.9145.3-174.1-60.1-84.4000111.5I294 C298 K308 S327I294-F310 HydrophobicContact CG2-CB 4.01Å; C298-F310 HydrophobicContact CB-CD1 3.87Å; C298-F310 HydrophobicContact CB-CD2 3.41Å; C298-F310 VanDerWaalsContact CB-CD2 3.41Å; C298-F310 HydrophobicContact CB-CE1 3.78Å; C298-F310 HydrophobicContact CB-CE2 3.33Å; C298-F310 HydrophobicContact CB-CG 3.7Å; C298-F310 HydrophobicContact CB-CZ 3.52Å; C298-F310 VanDerWaalsContact SG-CG 3.53Å; K308-F310 WeakPolarHBondContact O-CE2 3.48Å; F310-S327 VanDerWaalsContact O-CA 3.3Å; F310-S327 WeakPolarHBondContact O-CA 3.34Å
311N87.3Confident68.3Low58 Ų5897.4 Ų97.431%0.3154%0.542SS..  trans-122.8148.9172.1-58-55.6000108.9I325 R326 S327 S328N311-I325 HydrophobicContact CB-CG2 4.35Å; N311-I325 PolarHBondContact ND2-O 2.79Å; N311-R326 WeakPolarHBondContact OD1-CA 3.48Å; N311-R326 PolarHBondContact OD1-N 2.85Å; N311-S327 PolarHBondContact OD1-N 3.12Å; N311-S328 WeakPolarHBondContact CA-O 3.3Å; N311-S328 PolarHBondContact OD1-N 3.28Å
312I91.2Very high70.8Confident21 Ų2199 Ų9911%0.10854%0.541CS..EExtended strand (participates in β ladder)trans-111.4121.4168.9-62.6175.4000107G29 N30 I294 S328 F329 V330G29-I312 WeakPolarHBondContact O-CD1 3Å; N30-I312 WeakPolarHBondContact OD1-CD1 3.43Å; I294-I312 HydrophobicContact CD1-CD1 3.92Å; I294-I312 HydrophobicContact CD1-CG1 4.3Å; I294-I312 HydrophobicContact CG1-CD1 3.63Å; I294-I312 HydrophobicContact CG1-CG1 4.32Å; I294-I312 HydrophobicContact CG2-CD1 4.44Å; I294-I312 HydrophobicContact CG2-CG1 4.4Å; I312-S328 PolarHBondContact N-O 2.96Å; I312-S328 VanDerWaalsContact N-O 3.08Å; I312-F329 HydrophobicContact CB-CD2 3.85Å; I312-F329 HydrophobicContact CB-CE2 4.29Å; I312-F329 HydrophobicContact CD1-CD2 4.35Å; I312-F329 HydrophobicContact CG2-CD2 3.83Å; I312-F329 HydrophobicContact CG2-CE2 3.73Å; I312-V330 PolarHBondContact O-N 2.76Å
313I92.3Very high73.7Confident88 Ų8895.9 Ų95.945%0.45151%0.506SS..EExtended strand (participates in β ladder)trans-120.5115.6175.5-56.5175.8000107.1C317 I325 V330I313-C317 HydrophobicContact CG2-CB 3.81Å; I313-I325 HydrophobicContact CD1-CD1 4.28Å; I313-V330 HydrophobicContact CB-CB 4.49Å; I313-V330 HydrophobicContact CG1-CB 4.26Å; I313-V330 HydrophobicContact CG1-CG2 4.3Å; I313-V330 HydrophobicContact CG2-CB 4.34Å; I313-V330 HydrophobicContact CG2-CG1 4.43Å
314Q91.7Very high76.6Confident69 Ų6996.7 Ų96.732%0.32250%0.5SS..  trans-76.5173.6178.9-65.7-65.8-2800111.5C317 F329 V330Q314-C317 PolarHBondContact O-SG 3.35Å; Q314-F329 HydrophobicContact CG-CE1 4.48Å; Q314-F329 HydrophobicContact CG-CE2 4.3Å; Q314-F329 HydrophobicContact CG-CZ 3.78Å; Q314-V330 WeakPolarHBondContact CB-O 3.36Å; Q314-V330 WeakPolarHBondContact CG-O 3.5Å; Q314-V330 PolarHBondContact N-O 3.16Å
315E91.4Very high79.6Confident147 Ų14788.3 Ų88.369%0.68746%0.461SS*.THydrogen-bonded Turntrans-63.8157.9-174.5-59.6179.5176.700113.7C317 S332 S333E315-C317 PolarHBondContact O-N 3.4Å; E315-S332 CarbonylContact O-C 3.59Å; E315-S332 VanDerWaalsContact O-CA 3.32Å; E315-S332 WeakPolarHBondContact O-CA 3.28Å; E315-S333 PolarHBondContact O-N 2.81Å
316N92.7Very high82.3Confident127 Ų12787.5 Ų87.568%0.67945%0.453SS*.THydrogen-bonded Turntrans6222.6175.8-56.6-40.8000115.4S333N316-S333 WeakPolarHBondContact O-CA 3.41Å
317C93.2Very high85Confident30 Ų3081.5 Ų81.520%0.20341%0.411CS..  trans-81.6137.1175.2-65.90000112.4I313 Q314 E315 V319 G331 C334I313-C317 HydrophobicContact CG2-CB 3.81Å; Q314-C317 PolarHBondContact O-SG 3.35Å; E315-C317 PolarHBondContact O-N 3.4Å; C317-V319 HydrophobicContact CB-CG2 4.28Å; C317-G331 PolarHBondContact SG-O 3.25Å; C317-C334 CarbonylContact C-O 3.58Å; C317-C334 VanDerWaalsContact CA-O 3.28Å; C317-C334 WeakPolarHBondContact CA-O 3.27Å
318T94Very high87.6Confident85 Ų8578.2 Ų78.252%0.52138%0.377SS..EExtended strand (participates in β ladder)trans-107.5102.3172510000109.1C334 K335 I336T318-C334 PolarHBondContact N-O 2.98Å; T318-K335 WeakPolarHBondContact OG1-CA 3.45Å; T318-K335 WeakPolarHBondContact OG1-CG 3.49Å; T318-I336 PolarHBondContact O-N 2.78Å
319V93.7Very high89.8Confident60 Ų6072 Ų7236%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-109.1120.9-177.4-173.10000109.7C317 A323 I325 I336C317-V319 HydrophobicContact CB-CG2 4.28Å; V319-A323 HydrophobicContact CG1-CB 3.78Å; V319-I325 HydrophobicContact CG1-CD1 3.99Å; V319-I336 HydrophobicContact CG1-CB 4.31Å; V319-I336 HydrophobicContact CG1-CD1 4.39Å; V319-I336 HydrophobicContact CG1-CG2 4.46Å; V319-I336 HydrophobicContact CG2-CD1 3.96Å; V319-I336 HydrophobicContact CG2-CG1 4.48Å
320H93.1Very high91.5Very high84 Ų8468.7 Ų68.739%0.38934%0.335SS..  trans-65.6146.7176.9-168.2-94.4000111.7K322 A323 I336 G337 A338H320-K322 PolarHBondContact ND1-N 2.63Å; H320-K322 PolarHBondContact O-N 2.83Å; H320-A323 VanDerWaalsContact O-CB 3.3Å; H320-A323 WeakPolarHBondContact O-CB 3.43Å; H320-A323 PolarHBondContact O-N 2.81Å; H320-I336 WeakPolarHBondContact CB-O 3.27Å; H320-I336 PolarHBondContact N-O 2.83Å; H320-G337 VanDerWaalsContact CB-O 3.31Å; H320-G337 WeakPolarHBondContact CB-O 3.08Å; H320-A338 WeakPolarHBondContact ND1-CA 3.36Å; H320-A338 WeakPolarHBondContact ND1-CB 3.3Å
321K90.9Very high92.3Very high208 Ų20865 Ų6590%0.90432%0.319SS*.THydrogen-bonded Turntrans-59-25-175.4-65.6-179.4-179.9178.10114.8
322K91.4Very high92.6Very high128 Ų12864.1 Ų64.156%0.55732%0.317SS*.THydrogen-bonded Turntrans-92.2-1.4179.1-62.6-171.8-178.7179.70113.8H320 D339H320-K322 PolarHBondContact ND1-N 2.63Å; H320-K322 PolarHBondContact O-N 2.83Å; K322-D339 WeakPolarHBondContact CB-OD1 3.29Å; K322-D339 VanDerWaalsContact CD-OD1 3.28Å; K322-D339 WeakPolarHBondContact CD-OD1 3.41Å; K322-D339 IonicContact NZ-OD2 2.64Å
323A92.3Very high92.8Very high23 Ų2365.1 Ų65.119%0.1933%0.326CS..  trans-73141178.800000110.9V319 H320 I336 V340V319-A323 HydrophobicContact CG1-CB 3.78Å; H320-A323 VanDerWaalsContact O-CB 3.3Å; H320-A323 WeakPolarHBondContact O-CB 3.43Å; H320-A323 PolarHBondContact O-N 2.81Å; A323-I336 HydrophobicContact CB-CG2 3.78Å; A323-V340 CarbonylContact C-O 3.58Å; A323-V340 WeakPolarHBondContact CA-O 3.17Å
324F93.4Very high93Very high97 Ų9761 Ų6143%0.42531%0.305SS..EExtended strand (participates in β ladder)trans-115.9115.6177.8-174.8-95.2000109.8R326 V340 R341 I342 L343F324-R326 HydrophobicContact CE1-CB 3.87Å; F324-R326 HydrophobicContact CE1-CG 4.37Å; F324-R326 HydrophobicContact CZ-CB 4.37Å; F324-R326 HydrophobicContact CZ-CG 4.46Å; F324-V340 PolarHBondContact N-O 2.77Å; F324-R341 HydrophobicContact CB-CG 4.4Å; F324-R341 CarbonylContact O-C 3.51Å; F324-R341 WeakPolarHBondContact O-CA 3.43Å; F324-I342 PolarHBondContact O-N 3.06Å; F324-L343 HydrophobicContact CD1-CD2 3.86Å; F324-L343 HydrophobicContact CE1-CD2 3.61Å
325I93.4Very high93.2Very high24 Ų2462.9 Ų62.912%0.12331%0.312CS..EExtended strand (participates in β ladder)trans-121.4130.5-177.9-51.6178.2000108.8N311 I313 V319 V330 I336 I342N311-I325 HydrophobicContact CB-CG2 4.35Å; N311-I325 PolarHBondContact ND2-O 2.79Å; I313-I325 HydrophobicContact CD1-CD1 4.28Å; V319-I325 HydrophobicContact CG1-CD1 3.99Å; I325-V330 HydrophobicContact CD1-CG2 4.32Å; I325-V330 HydrophobicContact CG2-CG2 4.33Å; I325-I336 HydrophobicContact CD1-CD1 3.63Å; I325-I342 CarbonylContact C-O 3.58Å; I325-I342 WeakPolarHBondContact CA-O 3.38Å; I325-I342 HydrophobicContact CD1-CD1 4.34Å; I325-I342 HydrophobicContact CG1-CB 4.39Å; I325-I342 HydrophobicContact CG1-CD1 4.13Å; I325-I342 HydrophobicContact CG2-CB 4.37Å; I325-I342 HydrophobicContact CG2-CG2 4.45Å
326R91Very high93.4Very high104 Ų10456.3 Ų56.339%0.39228%0.282SS..EExtended strand (participates in β ladder)trans-146.4134.4-177-153.5-171156.6133.60.5112E309 N311 F324 S328 I342 L343 N344E309-R326 HydrophobicContact CB-CG 3.86Å; E309-R326 VanDerWaalsContact CD-NH2 3.31Å; E309-R326 IonicContact OE1-CZ 3.5Å; E309-R326 IonicContact OE1-NE 3.47Å; E309-R326 PolarHBondContact OE1-NE 3.32Å; E309-R326 IonicContact OE1-NH2 3.85Å; E309-R326 PolarHBondContact OE1-NH2 2.92Å; E309-R326 VanDerWaalsContact OE2-CD 3.27Å; E309-R326 WeakPolarHBondContact OE2-CD 3.41Å; E309-R326 WeakPolarHBondContact OE2-CG 3.49Å; E309-R326 IonicContact OE2-CZ 2.65Å; E309-R326 IonicContact OE2-NE 3.02Å; E309-R326 PolarHBondContact OE2-NE 3.11Å; E309-R326 IonicContact OE2-NH2 3.64Å; N311-R326 WeakPolarHBondContact OD1-CA 3.48Å; N311-R326 PolarHBondContact OD1-N 2.85Å; F324-R326 HydrophobicContact CE1-CB 3.87Å; F324-R326 HydrophobicContact CE1-CG 4.37Å; F324-R326 HydrophobicContact CZ-CB 4.37Å; F324-R326 HydrophobicContact CZ-CG 4.46Å; R326-S328 PolarHBondContact O-N 3.08Å; R326-S328 VanDerWaalsContact O-N 3.12Å; R326-S328 PolarHBondContact O-OG 3.12Å; R326-I342 PolarHBondContact N-O 3.2Å; R326-L343 HydrophobicContact CB-CD2 3.55Å; R326-L343 WeakPolarHBondContact O-CA 3.4Å; R326-N344 PolarHBondContact O-N 2.8Å
327S89.2Confident93.5Very high2 Ų250.9 Ų50.91%0.01426%0.256CS..SBendtrans46.538.5-178.4-71.20000113.7Q295 E309 F310 N311 N344Q295-S327 PolarHBondContact NE2-OG 3.27Å; E309-S327 WeakPolarHBondContact CB-OG 3.09Å; E309-S327 WeakPolarHBondContact CG-OG 3.2Å; E309-S327 WeakPolarHBondContact OE2-CB 3.32Å; E309-S327 PolarHBondContact OE2-OG 3.37Å; F310-S327 VanDerWaalsContact O-CA 3.3Å; F310-S327 WeakPolarHBondContact O-CA 3.34Å; N311-S327 PolarHBondContact OD1-N 3.12Å; S327-N344 WeakPolarHBondContact CB-OD1 3.22Å; S327-N344 WeakPolarHBondContact O-CA 3.45Å
328S92.8Very high93.6Very high1 Ų150.1 Ų50.11%0.00725%0.252CS..  trans-126.6153-170.1-61.60000112.7N311 I312 R326 N344 S345N311-S328 WeakPolarHBondContact CA-O 3.3Å; N311-S328 PolarHBondContact OD1-N 3.28Å; I312-S328 PolarHBondContact N-O 2.96Å; I312-S328 VanDerWaalsContact N-O 3.08Å; R326-S328 PolarHBondContact O-N 3.08Å; R326-S328 VanDerWaalsContact O-N 3.12Å; R326-S328 PolarHBondContact O-OG 3.12Å; S328-N344 PolarHBondContact OG-N 3.08Å; S328-N344 VanDerWaalsContact OG-N 3.16Å; S328-S345 CarbonylContact C-O 3.46Å; S328-S345 WeakPolarHBondContact CA-O 3.45Å; S328-S345 WeakPolarHBondContact CB-O 3.47Å; S328-S345 PolarHBondContact OG-N 2.79Å; S328-S345 VanDerWaalsContact OG-N 3.07Å
329F94.7Very high93.6Very high6 Ų649.6 Ų49.63%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-104.3127.4172.1179.8-83.6000109.3P27 G29 N290 I294 I312 Q314 S345 V346 L347P27-F329 HydrophobicContact CB-CD1 4.34Å; P27-F329 HydrophobicContact CB-CE1 3.58Å; P27-F329 HydrophobicContact CB-CE2 3.78Å; P27-F329 HydrophobicContact CB-CZ 3.25Å; P27-F329 HydrophobicContact CG-CD1 3.98Å; P27-F329 HydrophobicContact CG-CE1 3.36Å; P27-F329 HydrophobicContact CG-CE2 4.44Å; P27-F329 HydrophobicContact CG-CZ 3.65Å; G29-F329 WeakPolarHBondContact O-CE2 3.47Å; N290-F329 WeakPolarHBondContact ND2-CB 3.21Å; I294-F329 HydrophobicContact CD1-CB 4.09Å; I312-F329 HydrophobicContact CB-CD2 3.85Å; I312-F329 HydrophobicContact CB-CE2 4.29Å; I312-F329 HydrophobicContact CD1-CD2 4.35Å; I312-F329 HydrophobicContact CG2-CD2 3.83Å; I312-F329 HydrophobicContact CG2-CE2 3.73Å; Q314-F329 HydrophobicContact CG-CE1 4.48Å; Q314-F329 HydrophobicContact CG-CE2 4.3Å; Q314-F329 HydrophobicContact CG-CZ 3.78Å; F329-S345 PolarHBondContact N-O 2.94Å; F329-V346 HydrophobicContact CB-CG1 4.29Å; F329-V346 HydrophobicContact CB-CG2 4.36Å; F329-V346 HydrophobicContact CD1-CG1 3.99Å; F329-V346 HydrophobicContact CG-CG1 4.48Å; F329-L347 PolarHBondContact O-N 2.96Å
330V95.2Very high93.7Very high0 Ų046.8 Ų46.80%023%0.229CC..EExtended strand (participates in β ladder)trans-118.4112.9176-176.50000108.7I312 I313 Q314 I325 C334 I336 L347I312-V330 PolarHBondContact O-N 2.76Å; I313-V330 HydrophobicContact CB-CB 4.49Å; I313-V330 HydrophobicContact CG1-CB 4.26Å; I313-V330 HydrophobicContact CG1-CG2 4.3Å; I313-V330 HydrophobicContact CG2-CB 4.34Å; I313-V330 HydrophobicContact CG2-CG1 4.43Å; Q314-V330 WeakPolarHBondContact CB-O 3.36Å; Q314-V330 WeakPolarHBondContact CG-O 3.5Å; Q314-V330 PolarHBondContact N-O 3.16Å; I325-V330 HydrophobicContact CD1-CG2 4.32Å; I325-V330 HydrophobicContact CG2-CG2 4.33Å; V330-C334 HydrophobicContact CG1-CB 3.74Å; V330-I336 HydrophobicContact CG1-CD1 4.17Å; V330-I336 HydrophobicContact CG2-CD1 4.42Å; V330-L347 HydrophobicContact CG1-CD1 4.47Å; V330-L347 HydrophobicContact CG2-CD1 4.29Å
331G93.1Very high93.9Very high2 Ų249.1 Ų49.12%0.02123%0.234CC..  trans-68.2174.4179.100000113.4C317 C334 L347C317-G331 PolarHBondContact SG-O 3.25Å; G331-C334 PolarHBondContact O-SG 3.31Å; G331-L347 WeakPolarHBondContact CA-O 3.47Å; G331-L347 PolarHBondContact N-O 3.39Å
332S93.4Very high94.1Very high40 Ų4039.2 Ų39.228%0.2819%0.191SC..THydrogen-bonded Turntrans-69.6150.3-173.154.20000112.6E315 C334 S349 N350E315-S332 CarbonylContact O-C 3.59Å; E315-S332 VanDerWaalsContact O-CA 3.32Å; E315-S332 WeakPolarHBondContact O-CA 3.28Å; S332-C334 VanDerWaalsContact C-N 3.27Å; S332-C334 PolarHBondContact O-N 2.88Å; S332-S349 PolarHBondContact N-OG 2.94Å; S332-S349 CarbonylContact O-C 3.54Å; S332-S349 VanDerWaalsContact O-CA 3.29Å; S332-S349 WeakPolarHBondContact O-CA 3.28Å; S332-S349 PolarHBondContact OG-OG 3.31Å; S332-N350 PolarHBondContact O-N 3.45Å
333S95.3Very high94.2Very high42 Ų4234.2 Ų34.229%0.29417%0.17SC..THydrogen-bonded Turntrans59.428.5176.8-51.60000115.4E315 N316 N350E315-S333 PolarHBondContact O-N 2.81Å; N316-S333 WeakPolarHBondContact O-CA 3.41Å; S333-N350 WeakPolarHBondContact CB-ND2 3.45Å
334C96.1Very high94.2Very high1 Ų135.7 Ų35.71%0.00718%0.175CC..  trans-79.1150.1176.8-67.50000112.6C317 T318 V330 G331 S332 L348 V351C317-C334 CarbonylContact C-O 3.58Å; C317-C334 VanDerWaalsContact CA-O 3.28Å; C317-C334 WeakPolarHBondContact CA-O 3.27Å; T318-C334 PolarHBondContact N-O 2.98Å; V330-C334 HydrophobicContact CG1-CB 3.74Å; G331-C334 PolarHBondContact O-SG 3.31Å; S332-C334 VanDerWaalsContact C-N 3.27Å; S332-C334 PolarHBondContact O-N 2.88Å; C334-L348 PolarHBondContact SG-O 3.23Å; C334-V351 CarbonylContact C-O 3.58Å; C334-V351 VanDerWaalsContact CA-O 3.24Å; C334-V351 WeakPolarHBondContact CA-O 3.45Å
335K96.5Very high94.3Very high110 Ų11031.1 Ų31.148%0.47816%0.155SC..EExtended strand (participates in β ladder)trans-119.5122.5173.8-56-176-175.9164.50109.7T318 V351 E352 I353T318-K335 WeakPolarHBondContact OG1-CA 3.45Å; T318-K335 WeakPolarHBondContact OG1-CG 3.49Å; K335-V351 PolarHBondContact N-O 3.28Å; K335-E352 HydrophobicContact CB-CB 4.47Å; K335-E352 HydrophobicContact CB-CG 4.14Å; K335-E352 HydrophobicContact CD-CG 4.48Å; K335-E352 IonicContact NZ-OE2 3.78Å; K335-E352 WeakPolarHBondContact O-CA 3.34Å; K335-I353 PolarHBondContact O-N 2.82Å
336I96.4Very high94.4Very high8 Ų830.1 Ų30.14%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-122.3116.6-176.9-55.7177.7000108.9T318 V319 H320 A323 I325 V330 V340 I342T318-I336 PolarHBondContact O-N 2.78Å; V319-I336 HydrophobicContact CG1-CB 4.31Å; V319-I336 HydrophobicContact CG1-CD1 4.39Å; V319-I336 HydrophobicContact CG1-CG2 4.46Å; V319-I336 HydrophobicContact CG2-CD1 3.96Å; V319-I336 HydrophobicContact CG2-CG1 4.48Å; H320-I336 WeakPolarHBondContact CB-O 3.27Å; H320-I336 PolarHBondContact N-O 2.83Å; A323-I336 HydrophobicContact CB-CG2 3.78Å; I325-I336 HydrophobicContact CD1-CD1 3.63Å; V330-I336 HydrophobicContact CG1-CD1 4.17Å; V330-I336 HydrophobicContact CG2-CD1 4.42Å; I336-V340 HydrophobicContact CG2-CB 3.86Å; I336-V340 HydrophobicContact CG2-CG1 3.84Å; I336-V340 HydrophobicContact CG2-CG2 4.27Å; I336-I342 HydrophobicContact CD1-CD1 3.7Å; I336-I342 HydrophobicContact CG1-CD1 4.32Å; I336-I342 HydrophobicContact CG2-CD1 4.06Å
337G94.8Very high94.6Very high13 Ų1325.1 Ų25.113%0.13413%0.131CC..  trans-70.9-177.4-179.200000115.5H320 V340 I353 D355H320-G337 VanDerWaalsContact CB-O 3.31Å; H320-G337 WeakPolarHBondContact CB-O 3.08Å; G337-V340 WeakPolarHBondContact O-CG2 3.33Å; G337-I353 PolarHBondContact N-O 3.43Å; G337-D355 WeakPolarHBondContact CA-OD1 3.21Å
338A94.6Very high94.9Very high15 Ų1525.2 Ų25.212%0.12413%0.132CC..THydrogen-bonded Turntrans-73.2145.3178.700000112.7H320 V340 D355 N356H320-A338 WeakPolarHBondContact ND1-CA 3.36Å; H320-A338 WeakPolarHBondContact ND1-CB 3.3Å; A338-V340 PolarHBondContact O-N 2.83Å; A338-V340 VanDerWaalsContact O-N 3.16Å; A338-D355 HydrophobicContact CB-CB 4.45Å; A338-D355 PolarHBondContact N-OD1 2.95Å; A338-D355 CarbonylContact O-C 3.55Å; A338-D355 VanDerWaalsContact O-CA 3.23Å; A338-D355 WeakPolarHBondContact O-CA 3.34Å; A338-N356 PolarHBondContact O-N 3.18Å
339D94.5Very high95Very high74 Ų7426.7 Ų26.740%0.39614%0.142SC..THydrogen-bonded Turntrans54.632178.1-66.6-39.2000114.2K322K322-D339 WeakPolarHBondContact CB-OD1 3.29Å; K322-D339 VanDerWaalsContact CD-OD1 3.28Å; K322-D339 WeakPolarHBondContact CD-OD1 3.41Å; K322-D339 IonicContact NZ-OD2 2.64Å
340V96.3Very high95Very high0 Ų030.1 Ų30.10%016%0.16CC..  trans-87.7135175175.30000111.3A323 F324 I336 G337 A338 I342 I353 K354 C357A323-V340 CarbonylContact C-O 3.58Å; A323-V340 WeakPolarHBondContact CA-O 3.17Å; F324-V340 PolarHBondContact N-O 2.77Å; I336-V340 HydrophobicContact CG2-CB 3.86Å; I336-V340 HydrophobicContact CG2-CG1 3.84Å; I336-V340 HydrophobicContact CG2-CG2 4.27Å; G337-V340 WeakPolarHBondContact O-CG2 3.33Å; A338-V340 PolarHBondContact O-N 2.83Å; A338-V340 VanDerWaalsContact O-N 3.16Å; V340-I342 HydrophobicContact CG1-CD1 3.89Å; V340-I342 HydrophobicContact CG1-CG1 3.84Å; V340-I353 HydrophobicContact CG1-CG2 3.76Å; V340-I353 HydrophobicContact CG2-CG2 3.99Å; V340-K354 WeakPolarHBondContact CG2-O 3.49Å; V340-C357 CarbonylContact C-O 3.51Å; V340-C357 VanDerWaalsContact CA-O 3.28Å; V340-C357 WeakPolarHBondContact CA-O 3.39Å; V340-C357 HydrophobicContact CG1-CB 4.46Å; V340-C357 HydrophobicContact CG2-CB 4.28Å
341R95.8Very high95.1Very high133 Ų13330.1 Ų30.150%0.50216%0.161SC..EExtended strand (participates in β ladder)trans-117.1113.9176.4-63178.265.8174.8-0.7110.8F324 C357 T358 V359F324-R341 HydrophobicContact CB-CG 4.4Å; F324-R341 CarbonylContact O-C 3.51Å; F324-R341 WeakPolarHBondContact O-CA 3.43Å; R341-C357 PolarHBondContact N-O 3.14Å; R341-T358 HydrophobicContact CB-CG2 4.36Å; R341-T358 CarbonylContact O-C 3.56Å; R341-T358 WeakPolarHBondContact O-CA 3.34Å; R341-V359 PolarHBondContact O-N 3.07Å
342I95.4Very high95.3Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-115.7117.9179-61.3153000109.1F324 I325 R326 I336 V340 L347 I353 V359F324-I342 PolarHBondContact O-N 3.06Å; I325-I342 CarbonylContact C-O 3.58Å; I325-I342 WeakPolarHBondContact CA-O 3.38Å; I325-I342 HydrophobicContact CD1-CD1 4.34Å; I325-I342 HydrophobicContact CG1-CB 4.39Å; I325-I342 HydrophobicContact CG1-CD1 4.13Å; I325-I342 HydrophobicContact CG2-CB 4.37Å; I325-I342 HydrophobicContact CG2-CG2 4.45Å; R326-I342 PolarHBondContact N-O 3.2Å; I336-I342 HydrophobicContact CD1-CD1 3.7Å; I336-I342 HydrophobicContact CG1-CD1 4.32Å; I336-I342 HydrophobicContact CG2-CD1 4.06Å; V340-I342 HydrophobicContact CG1-CD1 3.89Å; V340-I342 HydrophobicContact CG1-CG1 3.84Å; I342-L347 HydrophobicContact CD1-CD1 3.85Å; I342-I353 HydrophobicContact CD1-CD1 4.03Å; I342-I353 HydrophobicContact CG1-CD1 4.31Å; I342-V359 CarbonylContact C-O 3.51Å; I342-V359 WeakPolarHBondContact CA-O 3.39Å; I342-V359 HydrophobicContact CG1-CB 4.38Å
343L93.5Very high95.5Very high24 Ų2430.7 Ų30.713%0.12616%0.158CC..EExtended strand (participates in β ladder)trans-131131.9-175.3-57.6175.8000110.1F324 R326 S345 V359 Q360 G361F324-L343 HydrophobicContact CD1-CD2 3.86Å; F324-L343 HydrophobicContact CE1-CD2 3.61Å; R326-L343 HydrophobicContact CB-CD2 3.55Å; R326-L343 WeakPolarHBondContact O-CA 3.4Å; L343-S345 PolarHBondContact O-N 2.9Å; L343-S345 PolarHBondContact O-OG 3.07Å; L343-V359 PolarHBondContact N-O 2.82Å; L343-Q360 HydrophobicContact CB-CB 4.35Å; L343-Q360 HydrophobicContact CB-CG 4.1Å; L343-Q360 HydrophobicContact CD1-CG 4.5Å; L343-Q360 CarbonylContact O-C 3.56Å; L343-Q360 VanDerWaalsContact O-CA 3.3Å; L343-Q360 WeakPolarHBondContact O-CA 3.33Å; L343-G361 PolarHBondContact O-N 3.23Å
344N92.6Very high95.5Very high53 Ų5331.6 Ų31.628%0.28316%0.157SC..SBendtrans48.935.3175.2-59.8-19.8000113.7R291 R326 S327 S328 G361R291-N344 WeakPolarHBondContact CD-OD1 3.42Å; R326-N344 PolarHBondContact O-N 2.8Å; S327-N344 WeakPolarHBondContact CB-OD1 3.22Å; S327-N344 WeakPolarHBondContact O-CA 3.45Å; S328-N344 PolarHBondContact OG-N 3.08Å; S328-N344 VanDerWaalsContact OG-N 3.16Å; N344-G361 VanDerWaalsContact O-CA 3.26Å; N344-G361 WeakPolarHBondContact O-CA 3.41Å
345S94.9Very high95.6Very high1 Ų134.6 Ų34.61%0.00717%0.173CC..  trans-122156.3-169.3-61.10000111.7S328 F329 L343 V359 G361 C362S328-S345 CarbonylContact C-O 3.46Å; S328-S345 WeakPolarHBondContact CA-O 3.45Å; S328-S345 WeakPolarHBondContact CB-O 3.47Å; S328-S345 PolarHBondContact OG-N 2.79Å; S328-S345 VanDerWaalsContact OG-N 3.07Å; F329-S345 PolarHBondContact N-O 2.94Å; L343-S345 PolarHBondContact O-N 2.9Å; L343-S345 PolarHBondContact O-OG 3.07Å; S345-V359 PolarHBondContact OG-O 2.98Å; S345-G361 PolarHBondContact OG-N 3.12Å; S345-G361 VanDerWaalsContact OG-N 3.14Å; S345-C362 CarbonylContact C-O 3.46Å; S345-C362 VanDerWaalsContact CA-O 3.24Å; S345-C362 WeakPolarHBondContact CA-O 3.31Å; S345-C362 VanDerWaalsContact CB-O 3.28Å; S345-C362 WeakPolarHBondContact CB-O 3.26Å; S345-C362 PolarHBondContact OG-N 2.88Å
346V96Very high95.5Very high3 Ų333 Ų332%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-116.6117.4175.3-1790000108.6Y286 A287 N290 F329 L348 C362 V363 I364Y286-V346 HydrophobicContact CE1-CB 4.36Å; Y286-V346 HydrophobicContact CE1-CG1 3.89Å; Y286-V346 HydrophobicContact CE1-CG2 4.48Å; A287-V346 HydrophobicContact CB-CG2 4.2Å; N290-V346 HydrophobicContact CB-CG2 4.1Å; N290-V346 WeakPolarHBondContact ND2-CG2 3.26Å; F329-V346 HydrophobicContact CB-CG1 4.29Å; F329-V346 HydrophobicContact CB-CG2 4.36Å; F329-V346 HydrophobicContact CD1-CG1 3.99Å; F329-V346 HydrophobicContact CG-CG1 4.48Å; V346-L348 HydrophobicContact CG1-CD2 4.12Å; V346-C362 PolarHBondContact N-O 2.69Å; V346-V363 WeakPolarHBondContact O-CA 3.2Å; V346-I364 PolarHBondContact O-N 3.17Å
347L96.2Very high95.6Very high0 Ų032.7 Ų32.70%017%0.168CC..EExtended strand (participates in β ladder)trans-104.9121.8171.2-47.9-176.2000107.9F329 V330 G331 I342 V351 I353 I364F329-L347 PolarHBondContact O-N 2.96Å; V330-L347 HydrophobicContact CG1-CD1 4.47Å; V330-L347 HydrophobicContact CG2-CD1 4.29Å; G331-L347 WeakPolarHBondContact CA-O 3.47Å; G331-L347 PolarHBondContact N-O 3.39Å; I342-L347 HydrophobicContact CD1-CD1 3.85Å; L347-V351 HydrophobicContact CB-CB 4.46Å; L347-I353 HydrophobicContact CD1-CD1 3.52Å; L347-I353 HydrophobicContact CD2-CD1 3.98Å; L347-I353 HydrophobicContact CG-CD1 4.43Å; L347-I364 HydrophobicContact CD2-CB 3.69Å; L347-I364 HydrophobicContact CD2-CG1 3.39Å
348L95.3Very high95.7Very high4 Ų433.9 Ų33.92%0.02117%0.173CC..  trans-78-176.3174.4-61.8-172.6000111.3L17 T18 L26 P27 C334 V346 V351 I364 E366L17-L348 HydrophobicContact CB-CD1 3.94Å; L17-L348 WeakPolarHBondContact O-CD1 2.98Å; T18-L348 HydrophobicContact CG2-CD1 4.16Å; L26-L348 HydrophobicContact CD2-CD1 3.72Å; L26-L348 HydrophobicContact CD2-CD2 4.07Å; P27-L348 HydrophobicContact CG-CD2 3.63Å; C334-L348 PolarHBondContact SG-O 3.23Å; V346-L348 HydrophobicContact CG1-CD2 4.12Å; L348-V351 VanDerWaalsContact O-CG2 3.23Å; L348-V351 WeakPolarHBondContact O-CG2 3.41Å; L348-I364 WeakPolarHBondContact CB-O 3.15Å; L348-I364 WeakPolarHBondContact CG-O 3.48Å; L348-I364 PolarHBondContact N-O 3.37Å; L348-E366 HydrophobicContact CB-CG 3.85Å; L348-E366 HydrophobicContact CD1-CG 4.09Å
349S94.3Very high95.7Very high31 Ų3133.2 Ų33.222%0.21717%0.167CC..THydrogen-bonded Turntrans-65.2148.3-175.8-65.70000113.1S332 V351 E366 K367S332-S349 PolarHBondContact N-OG 2.94Å; S332-S349 CarbonylContact O-C 3.54Å; S332-S349 VanDerWaalsContact O-CA 3.29Å; S332-S349 WeakPolarHBondContact O-CA 3.28Å; S332-S349 PolarHBondContact OG-OG 3.31Å; S349-V351 PolarHBondContact O-N 3.25Å; S349-E366 WeakPolarHBondContact O-CA 3.37Å; S349-K367 PolarHBondContact O-N 2.81Å
350N95.5Very high95.8Very high78 Ų7833.2 Ų33.242%0.41717%0.165SC..THydrogen-bonded Turntrans60.824176.4-61.393.5000115.1S332 S333 K367S332-N350 PolarHBondContact O-N 3.45Å; S333-N350 WeakPolarHBondContact CB-ND2 3.45Å; N350-K367 HydrophobicContact CB-CG 3.71Å; N350-K367 WeakPolarHBondContact O-CA 3.32Å
351V96.7Very high95.6Very high1 Ų134.1 Ų34.11%0.00617%0.174CC..  trans-74.5137.4175.7171.70000110.8C334 K335 L347 L348 S349 I353 I364 G365 A368C334-V351 CarbonylContact C-O 3.58Å; C334-V351 VanDerWaalsContact CA-O 3.24Å; C334-V351 WeakPolarHBondContact CA-O 3.45Å; K335-V351 PolarHBondContact N-O 3.28Å; L347-V351 HydrophobicContact CB-CB 4.46Å; L348-V351 VanDerWaalsContact O-CG2 3.23Å; L348-V351 WeakPolarHBondContact O-CG2 3.41Å; S349-V351 PolarHBondContact O-N 3.25Å; V351-I353 HydrophobicContact CG1-CD1 4.4Å; V351-I353 HydrophobicContact CG1-CG1 3.95Å; V351-I364 HydrophobicContact CB-CG2 4.41Å; V351-I364 HydrophobicContact CG1-CB 4.42Å; V351-I364 HydrophobicContact CG1-CG2 3.61Å; V351-I364 HydrophobicContact CG2-CB 4.45Å; V351-I364 HydrophobicContact CG2-CG2 3.83Å; V351-G365 WeakPolarHBondContact CG2-O 3.37Å; V351-A368 WeakPolarHBondContact CA-O 3.43Å
352E97Very high95.6Very high51 Ų5127.8 Ų27.824%0.23815%0.15CC..EExtended strand (participates in β ladder)trans-117.3117.7175.4-177.9163.3165.300110.5K335 K354 A368 V369 I370K335-E352 HydrophobicContact CB-CB 4.47Å; K335-E352 HydrophobicContact CB-CG 4.14Å; K335-E352 HydrophobicContact CD-CG 4.48Å; K335-E352 IonicContact NZ-OE2 3.78Å; K335-E352 WeakPolarHBondContact O-CA 3.34Å; E352-K354 HydrophobicContact CG-CD 4.49Å; E352-K354 VanDerWaalsContact OE1-CE 3.27Å; E352-K354 WeakPolarHBondContact OE1-CE 3.41Å; E352-K354 IonicContact OE1-NZ 3.6Å; E352-K354 PolarHBondContact OE1-NZ 2.93Å; E352-A368 PolarHBondContact N-O 3.26Å; E352-V369 HydrophobicContact CB-CG1 4.46Å; E352-V369 HydrophobicContact CB-CG2 4.37Å; E352-V369 CarbonylContact O-C 3.52Å; E352-V369 WeakPolarHBondContact O-CA 3.21Å; E352-I370 PolarHBondContact O-N 3.47Å
353I97.1Very high95.7Very high3 Ų327.8 Ų27.82%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-113.2117.6175.7-53.4-175.7000108.1K335 G337 V340 I342 L347 V351 C357 V359 I370K335-I353 PolarHBondContact O-N 2.82Å; G337-I353 PolarHBondContact N-O 3.43Å; V340-I353 HydrophobicContact CG1-CG2 3.76Å; V340-I353 HydrophobicContact CG2-CG2 3.99Å; I342-I353 HydrophobicContact CD1-CD1 4.03Å; I342-I353 HydrophobicContact CG1-CD1 4.31Å; L347-I353 HydrophobicContact CD1-CD1 3.52Å; L347-I353 HydrophobicContact CD2-CD1 3.98Å; L347-I353 HydrophobicContact CG-CD1 4.43Å; V351-I353 HydrophobicContact CG1-CD1 4.4Å; V351-I353 HydrophobicContact CG1-CG1 3.95Å; I353-C357 HydrophobicContact CG2-CB 3.74Å; I353-V359 HydrophobicContact CD1-CG2 4.36Å; I353-I370 HydrophobicContact CD1-CD1 4.15Å; I353-I370 HydrophobicContact CG1-CB 4.41Å; I353-I370 HydrophobicContact CG1-CD1 4.04Å; I353-I370 HydrophobicContact CG1-CG1 4.46Å; I353-I370 HydrophobicContact CG2-CB 4.33Å
354K96.7Very high95.8Very high61 Ų6126.6 Ų26.627%0.26514%0.144SC..  trans-77.6178.9177.4-58-64.3-167.8177.90112V340 E352 C357 I370 E372V340-K354 WeakPolarHBondContact CG2-O 3.49Å; E352-K354 HydrophobicContact CG-CD 4.49Å; E352-K354 VanDerWaalsContact OE1-CE 3.27Å; E352-K354 WeakPolarHBondContact OE1-CE 3.41Å; E352-K354 IonicContact OE1-NZ 3.6Å; E352-K354 PolarHBondContact OE1-NZ 2.93Å; K354-C357 PolarHBondContact O-SG 3.09Å; K354-I370 WeakPolarHBondContact CB-O 3.39Å; K354-I370 VanDerWaalsContact CG-O 3.27Å; K354-I370 WeakPolarHBondContact CG-O 3.38Å; K354-I370 PolarHBondContact N-O 2.77Å; K354-E372 HydrophobicContact CB-CB 4.35Å; K354-E372 HydrophobicContact CB-CG 3.52Å; K354-E372 HydrophobicContact CG-CG 4.32Å
355D96.5Very high96Very high63 Ų6324.1 Ų24.134%0.33713%0.13SC..THydrogen-bonded Turntrans-67.3154.4-171.4-62.2-4.2000113.3G337 A338 C357 E372 L373G337-D355 WeakPolarHBondContact CA-OD1 3.21Å; A338-D355 HydrophobicContact CB-CB 4.45Å; A338-D355 PolarHBondContact N-OD1 2.95Å; A338-D355 CarbonylContact O-C 3.55Å; A338-D355 VanDerWaalsContact O-CA 3.23Å; A338-D355 WeakPolarHBondContact O-CA 3.34Å; D355-C357 VanDerWaalsContact C-N 3.34Å; D355-C357 PolarHBondContact O-N 3.46Å; D355-E372 HydrophobicContact CB-CG 4.5Å; D355-E372 VanDerWaalsContact O-CA 3.28Å; D355-E372 WeakPolarHBondContact O-CA 3.36Å; D355-L373 PolarHBondContact O-N 3.25Å
356N96.2Very high95.9Very high78 Ų7825 Ų2542%0.41714%0.135SC..THydrogen-bonded Turntrans60.434.5175.2-55.3-70.2000115A338 L373A338-N356 PolarHBondContact O-N 3.18Å; N356-L373 HydrophobicContact CB-CD2 3.72Å; N356-L373 HydrophobicContact CB-CG 4.47Å; N356-L373 WeakPolarHBondContact O-CA 3.28Å
357C97Very high95.9Very high0 Ų030.3 Ų30.30%016%0.157CC..  trans-100147179.4-63.10000113.3V340 R341 I353 K354 D355 E371 C374V340-C357 CarbonylContact C-O 3.51Å; V340-C357 VanDerWaalsContact CA-O 3.28Å; V340-C357 WeakPolarHBondContact CA-O 3.39Å; V340-C357 HydrophobicContact CG1-CB 4.46Å; V340-C357 HydrophobicContact CG2-CB 4.28Å; R341-C357 PolarHBondContact N-O 3.14Å; I353-C357 HydrophobicContact CG2-CB 3.74Å; K354-C357 PolarHBondContact O-SG 3.09Å; D355-C357 VanDerWaalsContact C-N 3.34Å; D355-C357 PolarHBondContact O-N 3.46Å; C357-E371 PolarHBondContact SG-O 3.28Å; C357-C374 CarbonylContact C-O 3.52Å; C357-C374 WeakPolarHBondContact CA-O 3.27Å
358T96.7Very high95.9Very high38 Ų3830.3 Ų30.323%0.23316%0.157CC..EExtended strand (participates in β ladder)trans-119.7124.7168.4-60.40000109.6R341 C374 N375 L376R341-T358 HydrophobicContact CB-CG2 4.36Å; R341-T358 CarbonylContact O-C 3.56Å; R341-T358 WeakPolarHBondContact O-CA 3.34Å; T358-C374 PolarHBondContact N-O 3.47Å; T358-N375 CarbonylContact O-C 3.51Å; T358-N375 WeakPolarHBondContact O-CA 3.41Å; T358-L376 PolarHBondContact O-N 3.38Å
359V96.5Very high96Very high1 Ų131.8 Ų31.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-128.3110.2-178.9-176.90000108R341 I342 L343 S345 I353 C362 I364 I370 L376R341-V359 PolarHBondContact O-N 3.07Å; I342-V359 CarbonylContact C-O 3.51Å; I342-V359 WeakPolarHBondContact CA-O 3.39Å; I342-V359 HydrophobicContact CG1-CB 4.38Å; L343-V359 PolarHBondContact N-O 2.82Å; S345-V359 PolarHBondContact OG-O 2.98Å; I353-V359 HydrophobicContact CD1-CG2 4.36Å; V359-C362 HydrophobicContact CG1-CB 3.57Å; V359-I364 HydrophobicContact CG1-CG1 4.46Å; V359-I370 HydrophobicContact CG2-CD1 4.06Å; V359-L376 WeakPolarHBondContact CA-O 3.47Å
360Q94.9Very high96.1Very high75 Ų7530.3 Ų30.335%0.3516%0.156SC..EExtended strand (participates in β ladder)trans-129.8120.1-175-179.9175.83.800111.9L343 C362 L376 K377 S378L343-Q360 HydrophobicContact CB-CB 4.35Å; L343-Q360 HydrophobicContact CB-CG 4.1Å; L343-Q360 HydrophobicContact CD1-CG 4.5Å; L343-Q360 CarbonylContact O-C 3.56Å; L343-Q360 VanDerWaalsContact O-CA 3.3Å; L343-Q360 WeakPolarHBondContact O-CA 3.33Å; Q360-C362 VanDerWaalsContact C-N 3.26Å; Q360-C362 PolarHBondContact O-N 2.95Å; Q360-C362 PolarHBondContact O-SG 2.97Å; Q360-C362 VanDerWaalsContact O-SG 3.39Å; Q360-L376 PolarHBondContact N-O 3.4Å; Q360-K377 HydrophobicContact CB-CG 4.47Å; Q360-K377 CarbonylContact O-C 3.57Å; Q360-K377 VanDerWaalsContact O-CA 3.3Å; Q360-K377 WeakPolarHBondContact O-CA 3.23Å; Q360-S378 PolarHBondContact O-N 3.38Å
361G93.6Very high96.1Very high18 Ų1827.5 Ų27.519%0.18614%0.141CC..SBendtrans67.625.7179.200000113.5L343 N344 S345 S378L343-G361 PolarHBondContact O-N 3.23Å; N344-G361 VanDerWaalsContact O-CA 3.26Å; N344-G361 WeakPolarHBondContact O-CA 3.41Å; S345-G361 PolarHBondContact OG-N 3.12Å; S345-G361 VanDerWaalsContact OG-N 3.14Å; G361-S378 WeakPolarHBondContact O-CA 3.19Å
362C96Very high96.1Very high0 Ų031.7 Ų31.70%016%0.16CC..  trans-104.9157.2-171.9-610000112.6S345 V346 V359 Q360 I364 L376 C379S345-C362 CarbonylContact C-O 3.46Å; S345-C362 VanDerWaalsContact CA-O 3.24Å; S345-C362 WeakPolarHBondContact CA-O 3.31Å; S345-C362 VanDerWaalsContact CB-O 3.28Å; S345-C362 WeakPolarHBondContact CB-O 3.26Å; S345-C362 PolarHBondContact OG-N 2.88Å; V346-C362 PolarHBondContact N-O 2.69Å; V359-C362 HydrophobicContact CG1-CB 3.57Å; Q360-C362 VanDerWaalsContact C-N 3.26Å; Q360-C362 PolarHBondContact O-N 2.95Å; Q360-C362 PolarHBondContact O-SG 2.97Å; Q360-C362 VanDerWaalsContact O-SG 3.39Å; C362-I364 HydrophobicContact CB-CD1 4.17Å; C362-L376 VanDerWaalsContact SG-C 3.56Å; C362-L376 PolarHBondContact SG-O 3.24Å; C362-L376 VanDerWaalsContact SG-O 3.32Å; C362-C379 CarbonylContact C-O 3.54Å; C362-C379 WeakPolarHBondContact CA-O 3.38Å; C362-C379 WeakPolarHBondContact CB-O 3.37Å; C362-C379 PolarHBondContact SG-N 2.85Å
363V96.2Very high96Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-117.1121.4168.7-173.50000109.3L17 P283 Y286 A287 V346 C379 T380 V381L17-V363 HydrophobicContact CD1-CG1 3.8Å; L17-V363 HydrophobicContact CD2-CG1 3.82Å; L17-V363 HydrophobicContact CG-CG1 4.43Å; P283-V363 HydrophobicContact CB-CB 4.41Å; P283-V363 HydrophobicContact CB-CG2 4.34Å; P283-V363 WeakPolarHBondContact O-CG2 3.45Å; Y286-V363 HydrophobicContact CD1-CG1 4.29Å; Y286-V363 HydrophobicContact CD1-CG2 4.45Å; Y286-V363 HydrophobicContact CE1-CG1 4.25Å; A287-V363 HydrophobicContact CB-CG2 3.34Å; V346-V363 WeakPolarHBondContact O-CA 3.2Å; V363-C379 PolarHBondContact N-O 2.85Å; V363-T380 HydrophobicContact CB-CG2 4.41Å; V363-T380 CarbonylContact O-C 3.59Å; V363-T380 WeakPolarHBondContact O-CA 3.4Å; V363-V381 PolarHBondContact O-N 3.12Å
364I96.6Very high96Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-114115.9-177-50.9-58.1000109V346 L347 L348 V351 V359 C362 A368 I370 L376 V381V346-I364 PolarHBondContact O-N 3.17Å; L347-I364 HydrophobicContact CD2-CB 3.69Å; L347-I364 HydrophobicContact CD2-CG1 3.39Å; L348-I364 WeakPolarHBondContact CB-O 3.15Å; L348-I364 WeakPolarHBondContact CG-O 3.48Å; L348-I364 PolarHBondContact N-O 3.37Å; V351-I364 HydrophobicContact CB-CG2 4.41Å; V351-I364 HydrophobicContact CG1-CB 4.42Å; V351-I364 HydrophobicContact CG1-CG2 3.61Å; V351-I364 HydrophobicContact CG2-CB 4.45Å; V351-I364 HydrophobicContact CG2-CG2 3.83Å; V359-I364 HydrophobicContact CG1-CG1 4.46Å; C362-I364 HydrophobicContact CB-CD1 4.17Å; I364-A368 HydrophobicContact CG2-CB 3.61Å; I364-I370 HydrophobicContact CD1-CD1 3.79Å; I364-I370 HydrophobicContact CG1-CD1 4.03Å; I364-I370 HydrophobicContact CG2-CD1 4.3Å; I364-L376 HydrophobicContact CD1-CD1 4.43Å; I364-V381 HydrophobicContact CD1-CB 3.89Å; I364-V381 HydrophobicContact CD1-CG2 3.5Å; I364-V381 HydrophobicContact CG2-CB 4.5Å
365G95.2Very high96Very high0 Ų034.4 Ų34.40%018%0.179CC..  trans-64.4165.5-177.400000114.4L17 V351 K367 A368 V381L17-G365 CarbonylContact O-C 3.55Å; L17-G365 WeakPolarHBondContact O-CA 3.41Å; V351-G365 WeakPolarHBondContact CG2-O 3.37Å; G365-K367 PolarHBondContact O-N 3.03Å; G365-A368 WeakPolarHBondContact O-CB 3.33Å; G365-A368 PolarHBondContact O-N 3.46Å; G365-V381 WeakPolarHBondContact CA-O 3.45Å; G365-V381 PolarHBondContact N-O 3.45Å
366E94.7Very high96Very high21 Ų2131.4 Ų31.410%0.09816%0.162CC..THydrogen-bonded Turntrans-56.5135.2-179.6-71.2179.8167.500111.6L17 T18 I19 R60 L348 S349 A368 A383 I384L17-E366 PolarHBondContact O-N 2.77Å; T18-E366 HydrophobicContact CG2-CG 4.46Å; I19-E366 HydrophobicContact CD1-CB 4.26Å; I19-E366 HydrophobicContact CG1-CB 4.06Å; I19-E366 PolarHBondContact N-OE2 3.25Å; R60-E366 IonicContact CZ-OE1 2.69Å; R60-E366 IonicContact NH1-OE1 2.67Å; R60-E366 PolarHBondContact NH1-OE1 3.05Å; R60-E366 IonicContact NH1-OE2 3.07Å; R60-E366 PolarHBondContact NH1-OE2 2.88Å; R60-E366 IonicContact NH2-OE1 3.74Å; R60-E366 PolarHBondContact NH2-OE1 3.23Å; L348-E366 HydrophobicContact CB-CG 3.85Å; L348-E366 HydrophobicContact CD1-CG 4.09Å; S349-E366 WeakPolarHBondContact O-CA 3.37Å; E366-A368 PolarHBondContact O-N 3.01Å; E366-A368 VanDerWaalsContact O-N 3.12Å; E366-A383 HydrophobicContact CB-CB 4.43Å; E366-A383 CarbonylContact O-C 3.55Å; E366-A383 WeakPolarHBondContact O-CA 3.09Å; E366-A383 WeakPolarHBondContact O-CB 3.41Å; E366-I384 PolarHBondContact O-N 2.86Å
367K95Very high95.9Very high113 Ų11331.5 Ų31.549%0.49116%0.159SC..THydrogen-bonded Turntrans58.316-179.4-58.7-174.7-168.1170.90115.9I19 S349 N350 G365 I384I19-K367 HydrophobicContact CD1-CB 4.29Å; I19-K367 HydrophobicContact CD1-CD 3.39Å; I19-K367 HydrophobicContact CD1-CG 3.76Å; S349-K367 PolarHBondContact O-N 2.81Å; N350-K367 HydrophobicContact CB-CG 3.71Å; N350-K367 WeakPolarHBondContact O-CA 3.32Å; G365-K367 PolarHBondContact O-N 3.03Å; K367-I384 HydrophobicContact CB-CG1 4.38Å
368A96.1Very high95.8Very high0 Ų033.6 Ų33.60%017%0.174CC..  trans-68.9148173.600000111.3V351 E352 I364 G365 E366 V381 Q385V351-A368 WeakPolarHBondContact CA-O 3.43Å; E352-A368 PolarHBondContact N-O 3.26Å; I364-A368 HydrophobicContact CG2-CB 3.61Å; G365-A368 WeakPolarHBondContact O-CB 3.33Å; G365-A368 PolarHBondContact O-N 3.46Å; E366-A368 PolarHBondContact O-N 3.01Å; E366-A368 VanDerWaalsContact O-N 3.12Å; A368-V381 HydrophobicContact CB-CG1 3.95Å; A368-Q385 WeakPolarHBondContact CA-O 3.37Å
369V96.8Very high95.7Very high36 Ų3631.8 Ų31.822%0.21816%0.163CC..EExtended strand (participates in β ladder)trans-121.7120.2-179.4-177.70000109.4E352 Q385 R386 V387E352-V369 HydrophobicContact CB-CG1 4.46Å; E352-V369 HydrophobicContact CB-CG2 4.37Å; E352-V369 CarbonylContact O-C 3.52Å; E352-V369 WeakPolarHBondContact O-CA 3.21Å; V369-Q385 PolarHBondContact N-O 3.46Å; V369-R386 HydrophobicContact CB-CG 4.24Å; V369-R386 HydrophobicContact CG1-CG 4.47Å; V369-R386 CarbonylContact O-C 3.56Å; V369-R386 WeakPolarHBondContact O-CA 3.48Å; V369-V387 PolarHBondContact O-N 2.92Å
370I96.7Very high95.6Very high0 Ų031.8 Ų31.80%016%0.163CC..EExtended strand (participates in β ladder)trans-103.7112.8174.8-55.2178.5000107.9E352 I353 K354 V359 I364 C374 L376 V387E352-I370 PolarHBondContact O-N 3.47Å; I353-I370 HydrophobicContact CD1-CD1 4.15Å; I353-I370 HydrophobicContact CG1-CB 4.41Å; I353-I370 HydrophobicContact CG1-CD1 4.04Å; I353-I370 HydrophobicContact CG1-CG1 4.46Å; I353-I370 HydrophobicContact CG2-CB 4.33Å; K354-I370 WeakPolarHBondContact CB-O 3.39Å; K354-I370 VanDerWaalsContact CG-O 3.27Å; K354-I370 WeakPolarHBondContact CG-O 3.38Å; K354-I370 PolarHBondContact N-O 2.77Å; V359-I370 HydrophobicContact CG2-CD1 4.06Å; I364-I370 HydrophobicContact CD1-CD1 3.79Å; I364-I370 HydrophobicContact CG1-CD1 4.03Å; I364-I370 HydrophobicContact CG2-CD1 4.3Å; I370-C374 HydrophobicContact CG2-CB 3.61Å; I370-L376 HydrophobicContact CD1-CD1 3.95Å; I370-L376 HydrophobicContact CG1-CD1 4.49Å; I370-L376 HydrophobicContact CG2-CD1 4.43Å; I370-V387 HydrophobicContact CG1-CG2 4.35Å
371E96.9Very high95.6Very high19 Ų1928.2 Ų28.29%0.08915%0.146CC..  trans-71.8171.8178.4-66.6-60.9151.400113.1C357 C374 R386 V387 T389C357-E371 PolarHBondContact SG-O 3.28Å; E371-C374 PolarHBondContact O-SG 2.99Å; E371-R386 VanDerWaalsContact CD-NH2 3.32Å; E371-R386 HydrophobicContact CG-CG 4.34Å; E371-R386 IonicContact OE1-CZ 2.8Å; E371-R386 IonicContact OE1-NE 3.11Å; E371-R386 PolarHBondContact OE1-NE 3.49Å; E371-R386 IonicContact OE1-NH2 2.67Å; E371-R386 PolarHBondContact OE1-NH2 3.19Å; E371-R386 IonicContact OE2-NH2 3.72Å; E371-V387 WeakPolarHBondContact CB-O 3.45Å; E371-V387 WeakPolarHBondContact CG-O 3.34Å; E371-V387 PolarHBondContact N-O 3.45Å; E371-V387 VanDerWaalsContact N-O 3.09Å; E371-T389 WeakPolarHBondContact CB-OG1 3.3Å
372E95.7Very high95.7Very high88 Ų8827.5 Ų27.541%0.41114%0.139SC..THydrogen-bonded Turntrans-59.9155.5-175-61.8173.3-167.700113.1K354 D355 C374 T389 G390K354-E372 HydrophobicContact CB-CB 4.35Å; K354-E372 HydrophobicContact CB-CG 3.52Å; K354-E372 HydrophobicContact CG-CG 4.32Å; D355-E372 HydrophobicContact CB-CG 4.5Å; D355-E372 VanDerWaalsContact O-CA 3.28Å; D355-E372 WeakPolarHBondContact O-CA 3.36Å; E372-C374 PolarHBondContact O-N 3.01Å; E372-T389 HydrophobicContact CB-CG2 4.22Å; E372-T389 VanDerWaalsContact O-CA 3.31Å; E372-T389 WeakPolarHBondContact O-CA 3.28Å; E372-T389 VanDerWaalsContact O-CG2 3.26Å; E372-T389 WeakPolarHBondContact O-CG2 3.41Å; E372-G390 PolarHBondContact O-N 3.1Å
373L95.6Very high95.5Very high107 Ų10728.4 Ų28.456%0.5615%0.146SC*.THydrogen-bonded Turntrans6123.3173.8-57.4167.1000114.5D355 N356 G390D355-L373 PolarHBondContact O-N 3.25Å; N356-L373 HydrophobicContact CB-CD2 3.72Å; N356-L373 HydrophobicContact CB-CG 4.47Å; N356-L373 WeakPolarHBondContact O-CA 3.28Å; L373-G390 WeakPolarHBondContact O-CA 3.44Å
374C96.4Very high95.3Very high3 Ų333.7 Ų33.72%0.0217%0.173CC..  trans-84.4140.3178.1-69.40000112.5C357 T358 I370 E371 E372 P388 T391C357-C374 CarbonylContact C-O 3.52Å; C357-C374 WeakPolarHBondContact CA-O 3.27Å; T358-C374 PolarHBondContact N-O 3.47Å; I370-C374 HydrophobicContact CG2-CB 3.61Å; E371-C374 PolarHBondContact O-SG 2.99Å; E372-C374 PolarHBondContact O-N 3.01Å; C374-P388 PolarHBondContact SG-O 3.39Å; C374-T391 CarbonylContact C-O 3.58Å; C374-T391 VanDerWaalsContact CA-O 3.3Å; C374-T391 WeakPolarHBondContact CA-O 3.3Å
375N96.4Very high95.2Very high62 Ų6237.1 Ų37.133%0.33219%0.189SC..EExtended strand (participates in β ladder)trans-125.1108.4171.8-17312.5000109.7T358 T391 N392 L393T358-N375 CarbonylContact O-C 3.51Å; T358-N375 WeakPolarHBondContact O-CA 3.41Å; N375-T391 PolarHBondContact N-O 2.96Å; N375-N392 HydrophobicContact CB-CB 4.44Å; N375-N392 CarbonylContact O-C 3.47Å; N375-N392 VanDerWaalsContact O-CA 3.31Å; N375-N392 WeakPolarHBondContact O-CA 3.39Å; N375-N392 PolarHBondContact O-OD1 2.67Å; N375-L393 PolarHBondContact O-N 2.82Å
376L96.2Very high95.2Very high0 Ų044.5 Ų44.50%022%0.217CC..EExtended strand (participates in β ladder)trans-117.9124.7-176.9-56.8-179.4000109.3T358 V359 Q360 C362 I364 I370 C379 V381 V387 T391 L393T358-L376 PolarHBondContact O-N 3.38Å; V359-L376 WeakPolarHBondContact CA-O 3.47Å; Q360-L376 PolarHBondContact N-O 3.4Å; C362-L376 VanDerWaalsContact SG-C 3.56Å; C362-L376 PolarHBondContact SG-O 3.24Å; C362-L376 VanDerWaalsContact SG-O 3.32Å; I364-L376 HydrophobicContact CD1-CD1 4.43Å; I370-L376 HydrophobicContact CD1-CD1 3.95Å; I370-L376 HydrophobicContact CG1-CD1 4.49Å; I370-L376 HydrophobicContact CG2-CD1 4.43Å; L376-C379 HydrophobicContact CB-CB 4.34Å; L376-V381 HydrophobicContact CD1-CG2 4.46Å; L376-V387 HydrophobicContact CD2-CG1 4.39Å; L376-T391 HydrophobicContact CD2-CG2 4.39Å; L376-L393 WeakPolarHBondContact CA-O 3.35Å; L376-L393 HydrophobicContact CD2-CB 4.09Å; L376-L393 HydrophobicContact CD2-CD1 4.21Å; L376-L393 HydrophobicContact CD2-CG 4.47Å
377K95.3Very high95.2Very high80 Ų8043.5 Ų43.535%0.34821%0.213SC..EExtended strand (participates in β ladder)trans-130.2121.1178.9-171.8179.1169.6-147.60111.2Q360 C379 L393 E394 S395Q360-K377 HydrophobicContact CB-CG 4.47Å; Q360-K377 CarbonylContact O-C 3.57Å; Q360-K377 VanDerWaalsContact O-CA 3.3Å; Q360-K377 WeakPolarHBondContact O-CA 3.23Å; K377-C379 PolarHBondContact O-N 2.99Å; K377-C379 PolarHBondContact O-SG 3.17Å; K377-C379 VanDerWaalsContact O-SG 3.35Å; K377-L393 PolarHBondContact N-O 2.85Å; K377-E394 HydrophobicContact CB-CB 4.49Å; K377-E394 HydrophobicContact CB-CG 4.25Å; K377-E394 HydrophobicContact CD-CG 4.36Å; K377-E394 WeakPolarHBondContact CD-OE1 3.48Å; K377-E394 WeakPolarHBondContact CE-OE1 3.46Å; K377-E394 HydrophobicContact CG-CG 4.44Å; K377-E394 IonicContact NZ-OE1 2.71Å; K377-E394 PolarHBondContact NZ-OE1 2.81Å; K377-E394 CarbonylContact O-C 3.57Å; K377-E394 VanDerWaalsContact O-CA 3.22Å; K377-E394 WeakPolarHBondContact O-CA 3.27Å; K377-S395 PolarHBondContact O-N 2.82Å
378S93.8Very high95.2Very high44 Ų4442.1 Ų42.131%0.30822%0.215SC..SBendtrans5536.3-176.9-60.40000112.8Q360 G361 S395Q360-S378 PolarHBondContact O-N 3.38Å; G361-S378 WeakPolarHBondContact O-CA 3.19Å; S378-S395 WeakPolarHBondContact O-CA 3.07Å
379C94.8Very high95.2Very high0 Ų046 Ų460%024%0.239CC..  trans-104.5153.2-178.5-64.80000111.6C362 V363 L376 K377 L393 K396C362-C379 CarbonylContact C-O 3.54Å; C362-C379 WeakPolarHBondContact CA-O 3.38Å; C362-C379 WeakPolarHBondContact CB-O 3.37Å; C362-C379 PolarHBondContact SG-N 2.85Å; V363-C379 PolarHBondContact N-O 2.85Å; L376-C379 HydrophobicContact CB-CB 4.34Å; K377-C379 PolarHBondContact O-N 2.99Å; K377-C379 PolarHBondContact O-SG 3.17Å; K377-C379 VanDerWaalsContact O-SG 3.35Å; C379-L393 PolarHBondContact SG-O 2.73Å; C379-L393 VanDerWaalsContact SG-O 3.38Å; C379-K396 CarbonylContact C-O 3.52Å; C379-K396 WeakPolarHBondContact CA-O 3.23Å; C379-K396 VanDerWaalsContact CB-O 3.3Å; C379-K396 WeakPolarHBondContact CB-O 3.24Å
380T95.1Very high94.9Very high1 Ų146.6 Ų46.61%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-117.2140.2172.863.60000108.7P283 L284 V363 K396 Q397 L398 F400P283-T380 HydrophobicContact CB-CG2 3.68Å; P283-T380 HydrophobicContact CG-CG2 4.38Å; L284-T380 HydrophobicContact CD2-CG2 3.65Å; L284-T380 HydrophobicContact CG-CG2 3.78Å; V363-T380 HydrophobicContact CB-CG2 4.41Å; V363-T380 CarbonylContact O-C 3.59Å; V363-T380 WeakPolarHBondContact O-CA 3.4Å; T380-K396 PolarHBondContact N-O 2.88Å; T380-Q397 CarbonylContact O-C 3.49Å; T380-Q397 WeakPolarHBondContact O-CA 3.4Å; T380-Q397 WeakPolarHBondContact OG1-CA 3.46Å; T380-Q397 WeakPolarHBondContact OG1-CB 3.28Å; T380-Q397 VanDerWaalsContact OG1-CG 3.27Å; T380-Q397 WeakPolarHBondContact OG1-CG 3.36Å; T380-L398 PolarHBondContact O-N 2.86Å; T380-F400 WeakPolarHBondContact OG1-CE2 3.44Å
381V95.6Very high94.8Very high0 Ų047.8 Ų47.80%026%0.259CS..EExtended strand (participates in β ladder)trans-127.1123.4-180-177.40000107.7V363 I364 G365 A368 L376 Q385 V387 L398V363-V381 PolarHBondContact O-N 3.12Å; I364-V381 HydrophobicContact CD1-CB 3.89Å; I364-V381 HydrophobicContact CD1-CG2 3.5Å; I364-V381 HydrophobicContact CG2-CB 4.5Å; G365-V381 WeakPolarHBondContact CA-O 3.45Å; G365-V381 PolarHBondContact N-O 3.45Å; A368-V381 HydrophobicContact CB-CG1 3.95Å; L376-V381 HydrophobicContact CD1-CG2 4.46Å; V381-Q385 HydrophobicContact CG1-CB 3.76Å; V381-Q385 HydrophobicContact CG1-CG 3.99Å; V381-V387 HydrophobicContact CG1-CG2 4.18Å; V381-V387 HydrophobicContact CG2-CG2 4.16Å; V381-L398 HydrophobicContact CG2-CB 4.35Å; V381-L398 HydrophobicContact CG2-CD1 4.15Å
382A93.9Very high94.7Very high4 Ų452.4 Ų52.43%0.03329%0.285CS..  trans-65.516417700000111.8Q16 Q385 L398 G399 F400Q16-A382 HydrophobicContact CB-CB 4.45Å; A382-Q385 WeakPolarHBondContact O-CB 3.29Å; A382-Q385 PolarHBondContact O-N 3.48Å; A382-L398 PolarHBondContact N-O 3.26Å; A382-G399 VanDerWaalsContact CB-C 3.47Å; A382-G399 VanDerWaalsContact CB-O 3.27Å; A382-G399 WeakPolarHBondContact CB-O 3.44Å; A382-F400 HydrophobicContact CB-CD1 4.09Å; A382-F400 HydrophobicContact CB-CD2 4.3Å; A382-F400 HydrophobicContact CB-CE1 3.97Å; A382-F400 HydrophobicContact CB-CE2 4.22Å; A382-F400 HydrophobicContact CB-CG 4.26Å; A382-F400 HydrophobicContact CB-CZ 4.06Å
383A92.7Very high94.6Very high19 Ų1949.5 Ų49.516%0.15727%0.272CS..THydrogen-bonded Turntrans-57.5144.9174.600000111.1Q16 I19 E366 Q385Q16-A383 WeakPolarHBondContact O-CB 3.36Å; Q16-A383 PolarHBondContact O-N 3.08Å; I19-A383 HydrophobicContact CG1-CB 4.04Å; E366-A383 HydrophobicContact CB-CB 4.43Å; E366-A383 CarbonylContact O-C 3.55Å; E366-A383 WeakPolarHBondContact O-CA 3.09Å; E366-A383 WeakPolarHBondContact O-CB 3.41Å; A383-Q385 PolarHBondContact O-N 2.95Å
384I92.8Very high94.5Very high111 Ų11149.6 Ų49.657%0.56927%0.269SS*.THydrogen-bonded Turntrans66.1-5.8175.9-50.2168.6000113.9I19 E366 K367I19-I384 HydrophobicContact CD1-CD1 4.24Å; I19-I384 HydrophobicContact CD1-CG1 4.16Å; I19-I384 HydrophobicContact CG1-CD1 3.98Å; I19-I384 HydrophobicContact CG1-CG1 4.02Å; I19-I384 HydrophobicContact CG2-CD1 4.27Å; E366-I384 PolarHBondContact O-N 2.86Å; K367-I384 HydrophobicContact CB-CG1 4.38Å
385Q94Very high94.2Very high72 Ų7253.6 Ų53.634%0.33630%0.297SS..PPolyproline II helixtrans-68.1138.4-179.8-177.159.643.500111.6A368 V369 V381 A382 A383 L398 G399A368-Q385 WeakPolarHBondContact CA-O 3.37Å; V369-Q385 PolarHBondContact N-O 3.46Å; V381-Q385 HydrophobicContact CG1-CB 3.76Å; V381-Q385 HydrophobicContact CG1-CG 3.99Å; A382-Q385 WeakPolarHBondContact O-CB 3.29Å; A382-Q385 PolarHBondContact O-N 3.48Å; A383-Q385 PolarHBondContact O-N 2.95Å; Q385-L398 HydrophobicContact CG-CB 4.47Å; Q385-G399 VanDerWaalsContact OE1-CA 3.3Å
386R94.7Very high94Very high154 Ų15456.2 Ų56.258%0.58131%0.306SS*.EExtended strand (participates in β ladder)trans-102.8126.1171.6-170.2174.4-172.9-175.3-0.1110.2V369 E371V369-R386 HydrophobicContact CB-CG 4.24Å; V369-R386 HydrophobicContact CG1-CG 4.47Å; V369-R386 CarbonylContact O-C 3.56Å; V369-R386 WeakPolarHBondContact O-CA 3.48Å; E371-R386 VanDerWaalsContact CD-NH2 3.32Å; E371-R386 HydrophobicContact CG-CG 4.34Å; E371-R386 IonicContact OE1-CZ 2.8Å; E371-R386 IonicContact OE1-NE 3.11Å; E371-R386 PolarHBondContact OE1-NE 3.49Å; E371-R386 IonicContact OE1-NH2 2.67Å; E371-R386 PolarHBondContact OE1-NH2 3.19Å; E371-R386 IonicContact OE2-NH2 3.72Å
387V95.3Very high93.7Very high1 Ų160.7 Ų60.71%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-94118.1173.8-175.50000108.1V369 I370 E371 L376 V381 T391 L398V369-V387 PolarHBondContact O-N 2.92Å; I370-V387 HydrophobicContact CG1-CG2 4.35Å; E371-V387 WeakPolarHBondContact CB-O 3.45Å; E371-V387 WeakPolarHBondContact CG-O 3.34Å; E371-V387 PolarHBondContact N-O 3.45Å; E371-V387 VanDerWaalsContact N-O 3.09Å; L376-V387 HydrophobicContact CD2-CG1 4.39Å; V381-V387 HydrophobicContact CG1-CG2 4.18Å; V381-V387 HydrophobicContact CG2-CG2 4.16Å; V387-T391 HydrophobicContact CG1-CG2 3.76Å; V387-L398 HydrophobicContact CG1-CD1 4.32Å; V387-L398 HydrophobicContact CG2-CD1 3.87Å
388P94.8Very high93.5Very high83 Ų8358.8 Ų58.854%0.53932%0.32SS..PPolyproline II helixtrans-63.1155.5-177-22.433.1000114C374 T391C374-P388 PolarHBondContact SG-O 3.39Å; P388-T391 VanDerWaalsContact O-CB 3.29Å; P388-T391 WeakPolarHBondContact O-CB 3.35Å; P388-T391 PolarHBondContact O-N 2.84Å; P388-T391 PolarHBondContact O-OG1 2.88Å
389T95Very high92.9Very high83 Ų8358.4 Ų58.451%0.50932%0.323SS..THydrogen-bonded Turntrans-54.9138.4177.9-50.40000111.9E371 E372 T391E371-T389 WeakPolarHBondContact CB-OG1 3.3Å; E372-T389 HydrophobicContact CB-CG2 4.22Å; E372-T389 VanDerWaalsContact O-CA 3.31Å; E372-T389 WeakPolarHBondContact O-CA 3.28Å; E372-T389 VanDerWaalsContact O-CG2 3.26Å; E372-T389 WeakPolarHBondContact O-CG2 3.41Å; T389-T391 VanDerWaalsContact C-N 3.28Å; T389-T391 PolarHBondContact O-N 2.81Å
390G92.1Very high92.5Very high47 Ų4760.2 Ų60.249%0.48533%0.331SS..THydrogen-bonded Turntrans75.312.2176.300000114.9E372 L373 N392E372-G390 PolarHBondContact O-N 3.1Å; L373-G390 WeakPolarHBondContact O-CA 3.44Å; G390-N392 PolarHBondContact O-N 2.69Å
391T94.3Very high91.7Very high26 Ų2663.9 Ų63.916%0.1635%0.354CS..  trans-71.5121.8-179.5-64.40000110.8C374 N375 L376 V387 P388 T389 L393C374-T391 CarbonylContact C-O 3.58Å; C374-T391 VanDerWaalsContact CA-O 3.3Å; C374-T391 WeakPolarHBondContact CA-O 3.3Å; N375-T391 PolarHBondContact N-O 2.96Å; L376-T391 HydrophobicContact CD2-CG2 4.39Å; V387-T391 HydrophobicContact CG1-CG2 3.76Å; P388-T391 VanDerWaalsContact O-CB 3.29Å; P388-T391 WeakPolarHBondContact O-CB 3.35Å; P388-T391 PolarHBondContact O-N 2.84Å; P388-T391 PolarHBondContact O-OG1 2.88Å; T389-T391 VanDerWaalsContact C-N 3.28Å; T389-T391 PolarHBondContact O-N 2.81Å; T391-L393 HydrophobicContact CG2-CD1 3.31Å; T391-L393 HydrophobicContact CG2-CD2 4.33Å; T391-L393 HydrophobicContact CG2-CG 3.49Å; T391-L393 VanDerWaalsContact CG2-CG 3.49Å
392N94.7Very high90.3Very high115 Ų11569.5 Ų69.562%0.61538%0.384SS*.EExtended strand (participates in β ladder)trans-115.9113.1173.5-170-13.2000109.9N375 G390N375-N392 HydrophobicContact CB-CB 4.44Å; N375-N392 CarbonylContact O-C 3.47Å; N375-N392 VanDerWaalsContact O-CA 3.31Å; N375-N392 WeakPolarHBondContact O-CA 3.39Å; N375-N392 PolarHBondContact O-OD1 2.67Å; G390-N392 PolarHBondContact O-N 2.69Å
393L93.7Very high88.6Confident28 Ų2872.9 Ų72.915%0.14741%0.405CS..EExtended strand (participates in β ladder)trans-138.4143-175.2-59.9168.5000111N375 L376 K377 C379 T391 K396 L398N375-L393 PolarHBondContact O-N 2.82Å; L376-L393 WeakPolarHBondContact CA-O 3.35Å; L376-L393 HydrophobicContact CD2-CB 4.09Å; L376-L393 HydrophobicContact CD2-CD1 4.21Å; L376-L393 HydrophobicContact CD2-CG 4.47Å; K377-L393 PolarHBondContact N-O 2.85Å; C379-L393 PolarHBondContact SG-O 2.73Å; C379-L393 VanDerWaalsContact SG-O 3.38Å; T391-L393 HydrophobicContact CG2-CD1 3.31Å; T391-L393 HydrophobicContact CG2-CD2 4.33Å; T391-L393 HydrophobicContact CG2-CG 3.49Å; T391-L393 VanDerWaalsContact CG2-CG 3.49Å; L393-K396 HydrophobicContact CB-CD 4.43Å; L393-K396 HydrophobicContact CD2-CD 3.67Å; L393-K396 HydrophobicContact CG-CD 4.47Å; L393-L398 HydrophobicContact CD1-CD1 3.62Å; L393-L398 HydrophobicContact CD1-CD2 3.81Å; L393-L398 HydrophobicContact CD1-CG 4.06Å
394E93Very high86.6Confident108 Ų10879.9 Ų79.951%0.50544%0.435SS..EExtended strand (participates in β ladder)trans-129.2132.8173.3-175.4167.7-155.600109.3K377 K396K377-E394 HydrophobicContact CB-CB 4.49Å; K377-E394 HydrophobicContact CB-CG 4.25Å; K377-E394 HydrophobicContact CD-CG 4.36Å; K377-E394 WeakPolarHBondContact CD-OE1 3.48Å; K377-E394 WeakPolarHBondContact CE-OE1 3.46Å; K377-E394 HydrophobicContact CG-CG 4.44Å; K377-E394 IonicContact NZ-OE1 2.71Å; K377-E394 PolarHBondContact NZ-OE1 2.81Å; K377-E394 CarbonylContact O-C 3.57Å; K377-E394 VanDerWaalsContact O-CA 3.22Å; K377-E394 WeakPolarHBondContact O-CA 3.27Å; E394-K396 PolarHBondContact O-N 3.16Å
395S90.3Very high84.4Confident87 Ų8780.6 Ų80.661%0.60844%0.439SS*.SBendtrans55.346174.9-52.10000114.5K377 S378K377-S395 PolarHBondContact O-N 2.82Å; S378-S395 WeakPolarHBondContact O-CA 3.07Å
396K91.1Very high82Confident117 Ų11783.4 Ų83.451%0.50946%0.456SS..  trans-127.3149.2179.9-74.3-179.2176.8-173.20112.8C379 T380 L393 E394C379-K396 CarbonylContact C-O 3.52Å; C379-K396 WeakPolarHBondContact CA-O 3.23Å; C379-K396 VanDerWaalsContact CB-O 3.3Å; C379-K396 WeakPolarHBondContact CB-O 3.24Å; T380-K396 PolarHBondContact N-O 2.88Å; L393-K396 HydrophobicContact CB-CD 4.43Å; L393-K396 HydrophobicContact CD2-CD 3.67Å; L393-K396 HydrophobicContact CG-CD 4.47Å; E394-K396 PolarHBondContact O-N 3.16Å
397Q90.7Very high79.4Confident94 Ų9480.2 Ų80.244%0.43946%0.463SS..EExtended strand (participates in β ladder)trans-100133172.1-51.7-168.7-30.600109.3T380 F400T380-Q397 CarbonylContact O-C 3.49Å; T380-Q397 WeakPolarHBondContact O-CA 3.4Å; T380-Q397 WeakPolarHBondContact OG1-CA 3.46Å; T380-Q397 WeakPolarHBondContact OG1-CB 3.28Å; T380-Q397 VanDerWaalsContact OG1-CG 3.27Å; T380-Q397 WeakPolarHBondContact OG1-CG 3.36Å; Q397-F400 HydrophobicContact CB-CD2 3.57Å; Q397-F400 HydrophobicContact CB-CE2 3.89Å; Q397-F400 HydrophobicContact CB-CG 4.48Å
398L90.3Very high76.3Confident40 Ų4089.2 Ų89.221%0.20952%0.518CS..EExtended strand (participates in β ladder)trans-122.5131.3-177.2-67.9176.5000111.7T380 V381 A382 Q385 V387 L393 F400T380-L398 PolarHBondContact O-N 2.86Å; V381-L398 HydrophobicContact CG2-CB 4.35Å; V381-L398 HydrophobicContact CG2-CD1 4.15Å; A382-L398 PolarHBondContact N-O 3.26Å; Q385-L398 HydrophobicContact CG-CB 4.47Å; V387-L398 HydrophobicContact CG1-CD1 4.32Å; V387-L398 HydrophobicContact CG2-CD1 3.87Å; L393-L398 HydrophobicContact CD1-CD1 3.62Å; L393-L398 HydrophobicContact CD1-CD2 3.81Å; L393-L398 HydrophobicContact CD1-CG 4.06Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 WeakPolarHBondContact O-CD2 3.44Å; L398-F400 WeakPolarHBondContact O-CE2 3.32Å; L398-F400 PolarHBondContact O-N 2.91Å
399G82.5Confident75.4Confident36 Ų3689.6 Ų89.637%0.37152%0.517SS..SBendtrans77.88174.900000114.7A382 Q385A382-G399 VanDerWaalsContact CB-C 3.47Å; A382-G399 VanDerWaalsContact CB-O 3.27Å; A382-G399 WeakPolarHBondContact CB-O 3.44Å; Q385-G399 VanDerWaalsContact OE1-CA 3.3Å
400F85.2Confident74.4Confident39 Ų3989.9 Ų89.917%0.17152%0.518CS..PPolyproline II helixtrans-81.4130.6172.9-60.5-87.8000109.5E13 Q16 L17 T380 A382 Q397 L398E13-F400 HydrophobicContact CB-CD1 4.22Å; E13-F400 HydrophobicContact CB-CE1 4.24Å; E13-F400 HydrophobicContact CG-CD1 4.48Å; E13-F400 VanDerWaalsContact O-CE1 3.26Å; E13-F400 WeakPolarHBondContact O-CE1 3.31Å; Q16-F400 HydrophobicContact CB-CD1 3.75Å; Q16-F400 HydrophobicContact CB-CE1 3.98Å; L17-F400 HydrophobicContact CD2-CE1 4.2Å; L17-F400 HydrophobicContact CD2-CZ 3.94Å; T380-F400 WeakPolarHBondContact OG1-CE2 3.44Å; A382-F400 HydrophobicContact CB-CD1 4.09Å; A382-F400 HydrophobicContact CB-CD2 4.3Å; A382-F400 HydrophobicContact CB-CE1 3.97Å; A382-F400 HydrophobicContact CB-CE2 4.22Å; A382-F400 HydrophobicContact CB-CG 4.26Å; A382-F400 HydrophobicContact CB-CZ 4.06Å; Q397-F400 HydrophobicContact CB-CD2 3.57Å; Q397-F400 HydrophobicContact CB-CE2 3.89Å; Q397-F400 HydrophobicContact CB-CG 4.48Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 WeakPolarHBondContact O-CD2 3.44Å; L398-F400 WeakPolarHBondContact O-CE2 3.32Å; L398-F400 PolarHBondContact O-N 2.91Å
401T79.5Confident73.4Confident78 Ų7892.3 Ų92.348%0.47952%0.52SS..PPolyproline II helixtrans-94.9136.9173.4530000109.2Q16Q16-T401 PolarHBondContact NE2-O 3.29Å; Q16-T401 PolarHBondContact OE1-OG1 2.99Å
402D65.4Low72.2Confident117 Ų11796.2 Ų96.263%0.62654%0.541SS*.PPolyproline II helixtrans-66.7129.6173.1-69.8-39000109E404 L405D402-E404 PolarHBondContact O-N 3.25Å; D402-E404 VanDerWaalsContact O-N 3.07Å; D402-L405 HydrophobicContact CB-CD1 4.46Å; D402-L405 PolarHBondContact O-N 3.17Å; D402-L405 VanDerWaalsContact O-N 3.14Å
403P57.7Low70.7Confident76 Ų7695 Ų9549%0.49454%0.536SS..G310 helixtrans-60.5-22-178.923.5-34000113P12 L405 N406P12-P403 HydrophobicContact CB-CB 4.41Å; P12-P403 HydrophobicContact CB-CG 4.27Å; P12-P403 HydrophobicContact CG-CG 4.1Å; P403-L405 PolarHBondContact O-N 3.06Å; P403-N406 PolarHBondContact O-N 2.64Å
404E50.7Low69.2Low165 Ų16599.5 Ų99.577%0.77156%0.562SS**G310 helixtrans-66.7-19.8179.2-62.8-167165.400113.4D402 N406D402-E404 PolarHBondContact O-N 3.25Å; D402-E404 VanDerWaalsContact O-N 3.07Å; E404-N406 VanDerWaalsContact C-N 3.34Å
405L48.2Very low67.5Low127 Ų12798.9 Ų98.967%0.66557%0.566SS**G310 helixtrans-78.4-14.4177.8-77.6157.6000113.8D402 P403D402-L405 HydrophobicContact CB-CD1 4.46Å; D402-L405 PolarHBondContact O-N 3.17Å; D402-L405 VanDerWaalsContact O-N 3.14Å; P403-L405 PolarHBondContact O-N 3.06Å
406N43.2Very low65.8Low130 Ų13099.8 Ų99.870%0.69556%0.563SS**G310 helixtrans-97.75.1-179.9-71.4-26000113.7P403 E404P403-N406 PolarHBondContact O-N 2.64Å; E404-N406 VanDerWaalsContact C-N 3.34Å
407A40.1Very low63.6Low88 Ų8898.3 Ų98.373%0.72757%0.568SS**  trans-98.312.2-176.100000115
408T30.3Very low61.2Low190 Ų19098.7 Ų98.7100%1.16658%0.579SS**  trans-110.70166.142.10000110.1

Retrieved 408 of 408 residues in 432.5 ms (Link to these results)

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