A0A077ZEW2_TRITR Loading...

CXXC zinc finger family protein

AlphaFold DB , UniProt , Accession A0A077ZEW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 487 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.3Low87Confident233 Ų233123.5 Ų123.5100%1.14866%0.663SS**  0147.90-64.1166.8-179.400108.9
2S75.9Confident87.9Confident106 Ų106114.8 Ų114.874%0.74162%0.618SS**  trans-75.6122.1174.546.20000110.5C4S2-C4 PolarHBondContact O-N 3.41Å
3I80.4Confident88.6Confident156 Ų156113.3 Ų113.380%0.862%0.616SS**  trans-71.1101.5176.4-59.3171.7000108.5R5I3-R5 PolarHBondContact O-N 3.11Å
4C81.8Confident89.2Confident117 Ų117105.4 Ų105.479%0.79157%0.574SS**  trans-64.698.9177.2-64.20000110.3S2S2-C4 PolarHBondContact O-N 3.41Å
5R87Confident89.8Confident218 Ų21899.4 Ų99.482%0.82354%0.542SS*.PPolyproline II helixtrans-76.2133175.1-63.3179.6-180178.90.2109.1I3 Q7I3-R5 PolarHBondContact O-N 3.11Å; R5-Q7 PolarHBondContact O-N 3.12Å; R5-Q7 VanDerWaalsContact O-N 3.15Å
6T90.7Very high90.3Very high59 Ų5999.3 Ų99.336%0.36255%0.546SS..PPolyproline II helixtrans-55119175.8-47.40000110.3V50T6-V50 HydrophobicContact CG2-CG2 4.15Å
7Q93.4Very high90.8Very high155 Ų15595.9 Ų95.972%0.72453%0.531SS*.PPolyproline II helixtrans-69.5146.7179-74.9-70.717.400111.8R5R5-Q7 PolarHBondContact O-N 3.12Å; R5-Q7 VanDerWaalsContact O-N 3.15Å
8R96.6Very high91.1Very high103 Ų103101.1 Ų101.139%0.38955%0.547SS..PPolyproline II helixtrans-71.5141.4169.6-74.2179.7162.7-102.9-3.4109.3G10 G14 S41 R45 C47 V50R8-G10 PolarHBondContact O-N 3.08Å; R8-G14 PolarHBondContact NH1-O 3Å; R8-S41 PolarHBondContact NH2-OG 3.01Å; R8-R45 VanDerWaalsContact CZ-O 3.29Å; R8-R45 PolarHBondContact NH1-O 2.77Å; R8-R45 PolarHBondContact NH2-O 3.31Å; R8-C47 HydrophobicContact CB-CB 4.39Å; R8-C47 HydrophobicContact CG-CB 3.94Å; R8-V50 HydrophobicContact CG-CG2 4.13Å
9C97.3Very high91.5Very high41 Ų4197.9 Ų97.928%0.27754%0.536SS..  trans-74.4-4.5-178.665.40000115.4V11 C12 C47 R49C9-V11 PolarHBondContact O-N 3.47Å; C9-C12 PolarHBondContact SG-SG 3.24Å; C9-C47 PolarHBondContact N-SG 2.99Å; C9-C47 VanDerWaalsContact N-SG 3.39Å; C9-R49 HydrophobicContact CB-CB 4.26Å
10G97Very high91.8Very high48 Ų4895.4 Ų95.450%0.49553%0.525SS..SBendtrans71-45.5-17600000115.5R8 C15R8-G10 PolarHBondContact O-N 3.08Å; G10-C15 VanDerWaalsContact C-CB 3.47Å; G10-C15 WeakPolarHBondContact O-CB 3.2Å
11V98Very high92Very high123 Ų12391.9 Ų91.975%0.74551%0.512SS*.SBendtrans-92.3-25.6-163.3-59.50000116.1C9C9-V11 PolarHBondContact O-N 3.47Å
12C97.8Very high93.9Very high18 Ų1886 Ų8612%0.12249%0.489CS..SBendtrans-67.3159.2-176.176.40000112.4C9 G14 C15 T16 I48C9-C12 PolarHBondContact SG-SG 3.24Å; C12-G14 PolarHBondContact O-N 3.41Å; C12-G14 VanDerWaalsContact O-N 3.09Å; C12-C15 WeakPolarHBondContact O-CA 3.46Å; C12-C15 WeakPolarHBondContact O-CB 3.29Å; C12-C15 PolarHBondContact O-N 3.29Å; C12-T16 PolarHBondContact O-N 3.42Å; C12-T16 VanDerWaalsContact O-N 3.12Å; C12-T16 PolarHBondContact O-OG1 3.24Å; C12-I48 HydrophobicContact CB-CB 4.39Å; C12-I48 HydrophobicContact CB-CD1 3.96Å; C12-I48 HydrophobicContact CB-CG1 4.06Å
13T96.9Very high94.9Very high96 Ų9681.8 Ų81.859%0.58946%0.459SS*.Hα-helixtrans-49.4-38.517953.80000113.5C15 T16 S17T13-C15 VanDerWaalsContact C-N 3.33Å; T13-C15 PolarHBondContact O-N 3.5Å; T13-T16 PolarHBondContact O-OG1 3.43Å; T13-S17 WeakPolarHBondContact O-CB 3.32Å; T13-S17 PolarHBondContact O-N 2.77Å; T13-S17 PolarHBondContact O-OG 3.3Å
14G97.2Very high95.6Very high3 Ų378.6 Ų78.63%0.03145%0.447CS..Hα-helixtrans-80-2.4176.200000115.9R8 C12 T44 R45 R46R8-G14 PolarHBondContact NH1-O 3Å; C12-G14 PolarHBondContact O-N 3.41Å; C12-G14 VanDerWaalsContact O-N 3.09Å; G14-T44 WeakPolarHBondContact CA-O 3.05Å; G14-R45 CarbonylContact O-C 3.51Å; G14-R45 WeakPolarHBondContact O-CA 3.49Å; G14-R45 VanDerWaalsContact O-O 3.05Å; G14-R46 WeakPolarHBondContact CA-O 3.49Å
15C98.2Very high96.3Very high15 Ų1575.4 Ų75.410%0.10142%0.419CS..Hα-helixtrans-94-47.8165.6-71.30000110.6G10 C12 T13 R45G10-C15 VanDerWaalsContact C-CB 3.47Å; G10-C15 WeakPolarHBondContact O-CB 3.2Å; C12-C15 WeakPolarHBondContact O-CA 3.46Å; C12-C15 WeakPolarHBondContact O-CB 3.29Å; C12-C15 PolarHBondContact O-N 3.29Å; T13-C15 VanDerWaalsContact C-N 3.33Å; T13-C15 PolarHBondContact O-N 3.5Å; C15-R45 PolarHBondContact O-NH2 3.24Å
16T97.8Very high96.9Very high97 Ų9765.1 Ų65.160%0.59538%0.38SS*.Hα-helixtrans-71.8-28.5-178.4560000113.4C12 T13 K18C12-T16 PolarHBondContact O-N 3.42Å; C12-T16 VanDerWaalsContact O-N 3.12Å; C12-T16 PolarHBondContact O-OG1 3.24Å; T13-T16 PolarHBondContact O-OG1 3.43Å; T16-K18 PolarHBondContact O-N 3.15Å
17S97.5Very high97.2Very high43 Ų4369.1 Ų69.130%0.30139%0.393SS..SBendtrans-53.9137.3175.9-74.90000113.1T13 R45T13-S17 WeakPolarHBondContact O-CB 3.32Å; T13-S17 PolarHBondContact O-N 2.77Å; T13-S17 PolarHBondContact O-OG 3.3Å; S17-R45 WeakPolarHBondContact O-CD 3.41Å; S17-R45 WeakPolarHBondContact O-CG 3.25Å; S17-R45 PolarHBondContact O-NE 3.5Å
18K97.5Very high97.4Very high188 Ų18862 Ų6282%0.81736%0.359SS*.PPolyproline II helixtrans-66.3161.6165.7-64.8-179.4-179.71780110.6T16 T44T16-K18 PolarHBondContact O-N 3.15Å; K18-T44 PolarHBondContact O-OG1 3.48Å
19A97.4Very high97.5Very high41 Ų4159.2 Ų59.234%0.33935%0.353SS..PPolyproline II helixtrans-76.4132.6174.600000109.8G21 F32A19-G21 VanDerWaalsContact C-N 3.31Å; A19-G21 PolarHBondContact O-N 3.41Å; A19-F32 HydrophobicContact CB-CE2 4.15Å; A19-F32 HydrophobicContact CB-CZ 3.88Å
20C97.7Very high97.5Very high47 Ų4761.4 Ų61.432%0.31837%0.366SS..  trans-78.7-6.6-169.470.60000115.4T22 C42 T44C20-T22 PolarHBondContact O-N 3.1Å; C20-T22 PolarHBondContact O-OG1 3.09Å; C20-C42 PolarHBondContact SG-SG 2.94Å; C20-T44 HydrophobicContact CB-CG2 4.11Å
21G97.3Very high97.5Very high23 Ų2366.9 Ų66.924%0.23738%0.379CS..SBendtrans67.1-40.4-173.100000115.7A19 C26A19-G21 VanDerWaalsContact C-N 3.31Å; A19-G21 PolarHBondContact O-N 3.41Å; G21-C26 PolarHBondContact N-SG 3.48Å; G21-C26 WeakPolarHBondContact O-CB 3.4Å
22T97.7Very high97.4Very high108 Ų10865.5 Ų65.566%0.66336%0.363SS*.SBendtrans-83.7-28.1-165.956.10000115.4C20 K27C20-T22 PolarHBondContact O-N 3.1Å; C20-T22 PolarHBondContact O-OG1 3.09Å; T22-K27 WeakPolarHBondContact O-CE 3.49Å
23C96.9Very high97.4Very high18 Ų1868.2 Ų68.212%0.12239%0.394CS..SBendtrans-72.1160-173.580.90000113.4Y25 C26 K27 V43C23-Y25 PolarHBondContact O-N 2.9Å; C23-C26 WeakPolarHBondContact O-CA 3.31Å; C23-C26 WeakPolarHBondContact O-CB 3.49Å; C23-C26 PolarHBondContact O-N 3.07Å; C23-C26 PolarHBondContact SG-N 3.39Å; C23-C26 VanDerWaalsContact SG-N 3.41Å; C23-K27 PolarHBondContact O-N 3.5Å; C23-V43 HydrophobicContact CB-CG1 4.26Å; C23-V43 HydrophobicContact CB-CG2 3.62Å
24T96.1Very high97.4Very high89 Ų8964.1 Ų64.155%0.54637%0.37SS..THydrogen-bonded Turntrans-61.4-13.5-176.853.60000115.6
25Y97Very high97.5Very high50 Ų5069 Ų6920%0.19640%0.401CS..THydrogen-bonded Turntrans-99.9-22.7172.2-53.6-42.8000113.1C23 N29 K38 Q40 S41 V43C23-Y25 PolarHBondContact O-N 2.9Å; Y25-N29 PolarHBondContact O-N 3.14Å; Y25-K38 HydrophobicContact CD1-CD 4.34Å; Y25-K38 HydrophobicContact CE1-CD 4.49Å; Y25-Q40 HydrophobicContact CD1-CB 3.62Å; Y25-Q40 HydrophobicContact CD1-CG 3.96Å; Y25-Q40 HydrophobicContact CD2-CB 3.95Å; Y25-Q40 HydrophobicContact CE1-CB 3.94Å; Y25-Q40 HydrophobicContact CE1-CG 3.81Å; Y25-Q40 HydrophobicContact CE2-CB 4.26Å; Y25-Q40 HydrophobicContact CG-CB 3.64Å; Y25-Q40 HydrophobicContact CG-CG 4.43Å; Y25-S41 WeakPolarHBondContact CD2-O 3.32Å; Y25-V43 HydrophobicContact CD2-CG1 3.56Å; Y25-V43 HydrophobicContact CE2-CG1 3.75Å
26C98.2Very high97.4Very high3 Ų368.9 Ų68.92%0.0240%0.403CS..THydrogen-bonded Turntrans-71-48.1166-73.30000109.9G21 C23 D28 N29 F32 C42G21-C26 PolarHBondContact N-SG 3.48Å; G21-C26 WeakPolarHBondContact O-CB 3.4Å; C23-C26 WeakPolarHBondContact O-CA 3.31Å; C23-C26 WeakPolarHBondContact O-CB 3.49Å; C23-C26 PolarHBondContact O-N 3.07Å; C23-C26 PolarHBondContact SG-N 3.39Å; C23-C26 VanDerWaalsContact SG-N 3.41Å; C26-D28 PolarHBondContact O-N 3.37Å; C26-N29 WeakPolarHBondContact O-CB 3.37Å; C26-N29 PolarHBondContact O-N 3.36Å; C26-F32 HydrophobicContact CB-CD2 4.2Å; C26-F32 HydrophobicContact CB-CE2 4.35Å; C26-F32 WeakPolarHBondContact O-CB 3.17Å; C26-C42 VanDerWaalsContact SG-CB 3.59Å; C26-C42 PolarHBondContact SG-SG 3.06Å
27K98.1Very high97.4Very high143 Ų14369.5 Ų69.562%0.62241%0.407SS*.THydrogen-bonded Turntrans-62.6-6.5173.1-64.1-172.9174-1710114.6T22 C23 G34T22-K27 WeakPolarHBondContact O-CE 3.49Å; C23-K27 PolarHBondContact O-N 3.5Å; K27-G34 WeakPolarHBondContact O-CA 2.99Å
28D97.9Very high97.3Very high4 Ų472.7 Ų72.72%0.02142%0.415CS..THydrogen-bonded Turntrans-99.8-23172.4-172.687.7000112.5C26 G34 G36 V37 K38 K39C26-D28 PolarHBondContact O-N 3.37Å; D28-G34 CarbonylContact O-C 3.52Å; D28-G34 VanDerWaalsContact O-C 3.3Å; D28-G36 WeakPolarHBondContact O-CA 3.31Å; D28-G36 PolarHBondContact O-N 3.38Å; D28-V37 PolarHBondContact OD2-N 2.82Å; D28-K38 HydrophobicContact CB-CB 4.5Å; D28-K38 HydrophobicContact CB-CD 4.12Å; D28-K38 VanDerWaalsContact OD1-CD 3.31Å; D28-K38 WeakPolarHBondContact OD1-CD 3.12Å; D28-K38 VanDerWaalsContact OD1-CG 3.29Å; D28-K38 WeakPolarHBondContact OD1-CG 3.49Å; D28-K38 PolarHBondContact OD1-N 3.13Å; D28-K38 IonicContact OD1-NZ 3.36Å; D28-K38 WeakPolarHBondContact OD2-CA 3.39Å; D28-K38 WeakPolarHBondContact OD2-CB 3.45Å; D28-K38 PolarHBondContact OD2-N 3.01Å; D28-K39 PolarHBondContact OD2-N 2.91Å; D28-K39 VanDerWaalsContact OD2-N 3.16Å
29N97.2Very high97.2Very high46 Ų4672.1 Ų72.125%0.24641%0.413CS..SBendtrans-76.2129.4-178174.38.9000110.6Y25 C26 Q31 F32 G34Y25-N29 PolarHBondContact O-N 3.14Å; C26-N29 WeakPolarHBondContact O-CB 3.37Å; C26-N29 PolarHBondContact O-N 3.36Å; N29-Q31 PolarHBondContact ND2-OE1 3.05Å; N29-Q31 PolarHBondContact O-N 3.3Å; N29-Q31 VanDerWaalsContact O-N 3.07Å; N29-Q31 PolarHBondContact OD1-N 3.36Å; N29-Q31 VanDerWaalsContact OD1-N 3.13Å; N29-F32 HydrophobicContact CB-CD2 4.16Å; N29-F32 PolarHBondContact O-N 3.33Å; N29-G34 PolarHBondContact O-N 3.23Å; N29-G34 VanDerWaalsContact O-N 3.1Å
30P97.4Very high97.1Very high87 Ų8775.4 Ų75.457%0.56542%0.421SS*.G310 helixtrans-53.4-27.8176.8-29.937000115.2F32 G33 G34P30-F32 PolarHBondContact O-N 2.72Å; P30-F32 VanDerWaalsContact O-N 3.09Å; P30-G33 PolarHBondContact O-N 3.39Å; P30-G34 VanDerWaalsContact CA-O 3.29Å; P30-G34 WeakPolarHBondContact CA-O 3.08Å
31Q96.9Very high97Very high163 Ų16375.8 Ų75.876%0.76242%0.424SS*.G310 helixtrans-62.3-14.2174-62.9176.2-37.100114.2N29N29-Q31 PolarHBondContact ND2-OE1 3.05Å; N29-Q31 PolarHBondContact O-N 3.3Å; N29-Q31 VanDerWaalsContact O-N 3.07Å; N29-Q31 PolarHBondContact OD1-N 3.36Å; N29-Q31 VanDerWaalsContact OD1-N 3.13Å
32F97.4Very high97Very high94 Ų9475.2 Ų75.241%0.41242%0.416SS..G310 helixtrans-120.724.5174-58.3-85000111.6A19 C26 N29 P30 G34A19-F32 HydrophobicContact CB-CE2 4.15Å; A19-F32 HydrophobicContact CB-CZ 3.88Å; C26-F32 HydrophobicContact CB-CD2 4.2Å; C26-F32 HydrophobicContact CB-CE2 4.35Å; C26-F32 WeakPolarHBondContact O-CB 3.17Å; N29-F32 HydrophobicContact CB-CD2 4.16Å; N29-F32 PolarHBondContact O-N 3.33Å; P30-F32 PolarHBondContact O-N 2.72Å; P30-F32 VanDerWaalsContact O-N 3.09Å; F32-G34 VanDerWaalsContact C-N 3.3Å; F32-G34 PolarHBondContact O-N 2.9Å
33G97.2Very high96.8Very high75 Ų7571.9 Ų71.977%0.77340%0.396SS*.THydrogen-bonded Turntrans74.611.5-178.400000115.2P30P30-G33 PolarHBondContact O-N 3.39Å
34G97.4Very high96.8Very high9 Ų974 Ų749%0.09341%0.408CS..  trans-79.8154.8179.800000114K27 D28 N29 P30 F32 G36K27-G34 WeakPolarHBondContact O-CA 2.99Å; D28-G34 CarbonylContact O-C 3.52Å; D28-G34 VanDerWaalsContact O-C 3.3Å; N29-G34 PolarHBondContact O-N 3.23Å; N29-G34 VanDerWaalsContact O-N 3.1Å; P30-G34 VanDerWaalsContact CA-O 3.29Å; P30-G34 WeakPolarHBondContact CA-O 3.08Å; F32-G34 VanDerWaalsContact C-N 3.3Å; F32-G34 PolarHBondContact O-N 2.9Å; G34-G36 PolarHBondContact O-N 3.16Å; G34-G36 VanDerWaalsContact O-N 3.15Å
35P97.8Very high96.8Very high105 Ų10574.4 Ų74.468%0.68240%0.4SS*.  trans-75.71.8-173.532.3-38.7000115.2V37P35-V37 VanDerWaalsContact C-N 3.31Å; P35-V37 HydrophobicContact CB-CG2 4.08Å; P35-V37 HydrophobicContact CG-CG2 4.19Å; P35-V37 PolarHBondContact O-N 3.2Å
36G97Very high96.8Very high14 Ų1473.9 Ų73.914%0.14440%0.397CS..  trans68.819.617400000115.9D28 G34 K39D28-G36 WeakPolarHBondContact O-CA 3.31Å; D28-G36 PolarHBondContact O-N 3.38Å; G34-G36 PolarHBondContact O-N 3.16Å; G34-G36 VanDerWaalsContact O-N 3.15Å; G36-K39 WeakPolarHBondContact O-CE 3.33Å; G36-K39 WeakPolarHBondContact O-CG 3.29Å
37V98.1Very high96.8Very high110 Ų11073.9 Ų73.967%0.66740%0.398SS*.  trans-81.6-44.9-169.4178.20000112.7D28 P35D28-V37 PolarHBondContact OD2-N 2.82Å; P35-V37 VanDerWaalsContact C-N 3.31Å; P35-V37 HydrophobicContact CB-CG2 4.08Å; P35-V37 HydrophobicContact CG-CG2 4.19Å; P35-V37 PolarHBondContact O-N 3.2Å
38K95.9Very high96.7Very high109 Ų10969.8 Ų69.847%0.47438%0.382SS..SBendtrans-79.8-26.2-174.4-57.8159.6-163.4138.50112.1Y25 D28 Q40Y25-K38 HydrophobicContact CD1-CD 4.34Å; Y25-K38 HydrophobicContact CE1-CD 4.49Å; D28-K38 HydrophobicContact CB-CB 4.5Å; D28-K38 HydrophobicContact CB-CD 4.12Å; D28-K38 VanDerWaalsContact OD1-CD 3.31Å; D28-K38 WeakPolarHBondContact OD1-CD 3.12Å; D28-K38 VanDerWaalsContact OD1-CG 3.29Å; D28-K38 WeakPolarHBondContact OD1-CG 3.49Å; D28-K38 PolarHBondContact OD1-N 3.13Å; D28-K38 IonicContact OD1-NZ 3.36Å; D28-K38 WeakPolarHBondContact OD2-CA 3.39Å; D28-K38 WeakPolarHBondContact OD2-CB 3.45Å; D28-K38 PolarHBondContact OD2-N 3.01Å; K38-Q40 HydrophobicContact CB-CG 4.35Å; K38-Q40 WeakPolarHBondContact O-CG 3.49Å; K38-Q40 PolarHBondContact O-N 2.93Å; K38-Q40 VanDerWaalsContact O-N 3.12Å; K38-Q40 PolarHBondContact O-NE2 3.41Å
39K95.6Very high96.6Very high176 Ų17676 Ų7677%0.76541%0.405SS*.  trans53.534.2174.1-56.8-177.4-177.41790113.7D28 G36D28-K39 PolarHBondContact OD2-N 2.91Å; D28-K39 VanDerWaalsContact OD2-N 3.16Å; G36-K39 WeakPolarHBondContact O-CE 3.33Å; G36-K39 WeakPolarHBondContact O-CG 3.29Å
40Q94.5Very high96.6Very high111 Ų11176.2 Ų76.252%0.51941%0.408SS..  trans-99.5149.4178.7-60.4-51.7-64.400111.5Y25 K38Y25-Q40 HydrophobicContact CD1-CB 3.62Å; Y25-Q40 HydrophobicContact CD1-CG 3.96Å; Y25-Q40 HydrophobicContact CD2-CB 3.95Å; Y25-Q40 HydrophobicContact CE1-CB 3.94Å; Y25-Q40 HydrophobicContact CE1-CG 3.81Å; Y25-Q40 HydrophobicContact CE2-CB 4.26Å; Y25-Q40 HydrophobicContact CG-CB 3.64Å; Y25-Q40 HydrophobicContact CG-CG 4.43Å; K38-Q40 HydrophobicContact CB-CG 4.35Å; K38-Q40 WeakPolarHBondContact O-CG 3.49Å; K38-Q40 PolarHBondContact O-N 2.93Å; K38-Q40 VanDerWaalsContact O-N 3.12Å; K38-Q40 PolarHBondContact O-NE2 3.41Å
41S94.9Very high96.5Very high55 Ų5572.8 Ų72.839%0.38539%0.385SS..  trans-72.2147.6169.261.40000111.8R8 Y25R8-S41 PolarHBondContact NH2-OG 3.01Å; Y25-S41 WeakPolarHBondContact CD2-O 3.32Å
42C97.1Very high96.5Very high10 Ų1068 Ų687%0.06836%0.362CS..  trans-39.4138.3170.5178.30000113.2C20 C26 T44 R45C20-C42 PolarHBondContact SG-SG 2.94Å; C26-C42 VanDerWaalsContact SG-CB 3.59Å; C26-C42 PolarHBondContact SG-SG 3.06Å; C42-T44 VanDerWaalsContact C-N 3.26Å; C42-T44 PolarHBondContact O-N 2.95Å; C42-T44 PolarHBondContact SG-OG1 3.41Å; C42-R45 HydrophobicContact CB-CB 4.05Å; C42-R45 HydrophobicContact CB-CG 3.91Å; C42-R45 CarbonylContact O-C 3.59Å; C42-R45 WeakPolarHBondContact O-CA 3.4Å; C42-R45 PolarHBondContact O-N 3.31Å
43V95.3Very high96.3Very high38 Ų3864.9 Ų64.923%0.2335%0.352CS..G310 helixtrans-61.1-31.3-177-59.20000113.5C23 Y25 R45 R46C23-V43 HydrophobicContact CB-CG1 4.26Å; C23-V43 HydrophobicContact CB-CG2 3.62Å; Y25-V43 HydrophobicContact CD2-CG1 3.56Å; Y25-V43 HydrophobicContact CE2-CG1 3.75Å; V43-R45 VanDerWaalsContact C-N 3.34Å; V43-R46 WeakPolarHBondContact O-CD 3.46Å; V43-R46 WeakPolarHBondContact O-CG 3.34Å
44T95.7Very high96.2Very high62 Ų6265.3 Ų65.338%0.3833%0.333SS..G310 helixtrans-75.8-22.5173.963.40000112.5G14 K18 C20 C42 R46G14-T44 WeakPolarHBondContact CA-O 3.05Å; K18-T44 PolarHBondContact O-OG1 3.48Å; C20-T44 HydrophobicContact CB-CG2 4.11Å; C42-T44 VanDerWaalsContact C-N 3.26Å; C42-T44 PolarHBondContact O-N 2.95Å; C42-T44 PolarHBondContact SG-OG1 3.41Å; T44-R46 PolarHBondContact O-N 3.37Å
45R97.2Very high96Very high98 Ų9864.9 Ų64.937%0.3733%0.328SS..G310 helixtrans-97.432.2-178.1-55.8-166.477.9-157.60.1112.9R8 G14 C15 S17 C42 V43R8-R45 VanDerWaalsContact CZ-O 3.29Å; R8-R45 PolarHBondContact NH1-O 2.77Å; R8-R45 PolarHBondContact NH2-O 3.31Å; G14-R45 CarbonylContact O-C 3.51Å; G14-R45 WeakPolarHBondContact O-CA 3.49Å; G14-R45 VanDerWaalsContact O-O 3.05Å; C15-R45 PolarHBondContact O-NH2 3.24Å; S17-R45 WeakPolarHBondContact O-CD 3.41Å; S17-R45 WeakPolarHBondContact O-CG 3.25Å; S17-R45 PolarHBondContact O-NE 3.5Å; C42-R45 HydrophobicContact CB-CB 4.05Å; C42-R45 HydrophobicContact CB-CG 3.91Å; C42-R45 CarbonylContact O-C 3.59Å; C42-R45 WeakPolarHBondContact O-CA 3.4Å; C42-R45 PolarHBondContact O-N 3.31Å; V43-R45 VanDerWaalsContact C-N 3.34Å
46R96.1Very high95.8Very high39 Ų3964.1 Ų64.115%0.14732%0.315CS..  trans-81.9115.2176.3-75.7173.9165.1158.2-16.8109.4G14 V43 T44 V81 L86G14-R46 WeakPolarHBondContact CA-O 3.49Å; V43-R46 WeakPolarHBondContact O-CD 3.46Å; V43-R46 WeakPolarHBondContact O-CG 3.34Å; T44-R46 PolarHBondContact O-N 3.37Å; R46-V81 PolarHBondContact NH2-O 3.34Å; R46-L86 VanDerWaalsContact NH1-CD2 3.35Å
47C97.8Very high95.5Very high4 Ų470.9 Ų70.93%0.02734%0.336CS..  trans-73.2128.6178.3174.70000110.5R8 C9 V50 L51R8-C47 HydrophobicContact CB-CB 4.39Å; R8-C47 HydrophobicContact CG-CB 3.94Å; C9-C47 PolarHBondContact N-SG 2.99Å; C9-C47 VanDerWaalsContact N-SG 3.39Å; C47-V50 HydrophobicContact CB-CB 4.09Å; C47-V50 HydrophobicContact CB-CG2 3.95Å; C47-V50 PolarHBondContact O-N 2.82Å; C47-L51 PolarHBondContact O-N 2.7Å
48I96.5Very high95.2Very high56 Ų5668.2 Ų68.229%0.28732%0.317SS..Hα-helixtrans-57.2-53.5-176.5-60.3-179.4000110.9C12 V50 L51 E52 F90 F91C12-I48 HydrophobicContact CB-CB 4.39Å; C12-I48 HydrophobicContact CB-CD1 3.96Å; C12-I48 HydrophobicContact CB-CG1 4.06Å; I48-V50 VanDerWaalsContact C-N 3.27Å; I48-V50 PolarHBondContact O-N 2.99Å; I48-L51 WeakPolarHBondContact O-CA 3.37Å; I48-L51 WeakPolarHBondContact O-CB 3.4Å; I48-L51 PolarHBondContact O-N 3.01Å; I48-E52 WeakPolarHBondContact O-CB 3.44Å; I48-E52 PolarHBondContact O-N 3.14Å; I48-F90 HydrophobicContact CG1-CD1 4.45Å; I48-F91 HydrophobicContact CG2-CE1 3.63Å; I48-F91 HydrophobicContact CG2-CZ 3.55Å
49R96.5Very high94.9Very high136 Ų13664.1 Ų64.151%0.51330%0.303SS..Hα-helixtrans-55.4-36.5177.5-167.3179.5-170.6178.63.7113.7C9 S53C9-R49 HydrophobicContact CB-CB 4.26Å; R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.06Å; R49-S53 PolarHBondContact O-OG 3.36Å; R49-S53 VanDerWaalsContact O-OG 3.12Å
50V96.3Very high94.6Very high49 Ų4961.1 Ų61.130%0.29730%0.3SS..Hα-helixtrans-76.8-29.9178.9179.70000111.8T6 R8 C47 I48 K54T6-V50 HydrophobicContact CG2-CG2 4.15Å; R8-V50 HydrophobicContact CG-CG2 4.13Å; C47-V50 HydrophobicContact CB-CB 4.09Å; C47-V50 HydrophobicContact CB-CG2 3.95Å; C47-V50 PolarHBondContact O-N 2.82Å; I48-V50 VanDerWaalsContact C-N 3.27Å; I48-V50 PolarHBondContact O-N 2.99Å; V50-K54 PolarHBondContact O-N 3.38Å
51L95.5Very high94.2Very high16 Ų1657 Ų578%0.08428%0.283CS..Hα-helixtrans-72.9-44.3173.2178.865000111.1C47 I48 K54 L55 V83 L86 F90 F91C47-L51 PolarHBondContact O-N 2.7Å; I48-L51 WeakPolarHBondContact O-CA 3.37Å; I48-L51 WeakPolarHBondContact O-CB 3.4Å; I48-L51 PolarHBondContact O-N 3.01Å; L51-K54 CarbonylContact O-C 3.44Å; L51-K54 WeakPolarHBondContact O-CA 3.28Å; L51-K54 WeakPolarHBondContact O-CB 3.42Å; L51-K54 PolarHBondContact O-N 2.82Å; L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 HydrophobicContact CG-CD1 4.06Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 3.12Å; L51-V83 HydrophobicContact CD1-CG1 4.37Å; L51-L86 HydrophobicContact CD1-CB 3.86Å; L51-L86 HydrophobicContact CD1-CD1 3.99Å; L51-L86 HydrophobicContact CD2-CB 3.91Å; L51-L86 HydrophobicContact CG-CB 4.49Å; L51-F90 HydrophobicContact CD2-CB 4.02Å; L51-F90 HydrophobicContact CD2-CD2 3.59Å; L51-F90 HydrophobicContact CD2-CE2 4.29Å; L51-F90 HydrophobicContact CD2-CG 3.93Å; L51-F91 HydrophobicContact CB-CE2 4.47Å; L51-F91 HydrophobicContact CD2-CE2 3.8Å; L51-F91 HydrophobicContact CG-CE2 3.96Å
52E95.9Very high93.2Very high63 Ų6358.3 Ų58.329%0.29429%0.293SS..Hα-helixtrans-55.6-56.3172.1167.7178-135.900111.7I48 K54 L55 Q56 F91 F95I48-E52 WeakPolarHBondContact O-CB 3.44Å; I48-E52 PolarHBondContact O-N 3.14Å; E52-K54 CarbonylContact O-C 3.34Å; E52-K54 PolarHBondContact O-N 2.99Å; E52-L55 PolarHBondContact O-N 3.18Å; E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 3.18Å; E52-F91 HydrophobicContact CB-CE1 4.35Å; E52-F91 HydrophobicContact CB-CZ 3.84Å; E52-F95 HydrophobicContact CG-CE2 4.46Å; E52-F95 HydrophobicContact CG-CZ 3.89Å
53S94.4Very high92.7Very high27 Ų2767.7 Ų67.719%0.18933%0.326CS..Hα-helixtrans-66.6-4.3175.2-54.90000113.7R49 R57R49-S53 WeakPolarHBondContact O-CB 3.42Å; R49-S53 PolarHBondContact O-N 3.06Å; R49-S53 PolarHBondContact O-OG 3.36Å; R49-S53 VanDerWaalsContact O-OG 3.12Å; S53-R57 VanDerWaalsContact O-CZ 3.28Å; S53-R57 PolarHBondContact O-NE 2.74Å; S53-R57 PolarHBondContact O-NH2 3.49Å
54K94Very high92.5Very high85 Ų8566.5 Ų66.537%0.3732%0.32SS..Hα-helixtrans-89.1-50.1162.7-176.6174.7175.9178.90110.5V50 L51 E52 Q56 R57 E58 V83V50-K54 PolarHBondContact O-N 3.38Å; L51-K54 CarbonylContact O-C 3.44Å; L51-K54 WeakPolarHBondContact O-CA 3.28Å; L51-K54 WeakPolarHBondContact O-CB 3.42Å; L51-K54 PolarHBondContact O-N 2.82Å; E52-K54 CarbonylContact O-C 3.34Å; E52-K54 PolarHBondContact O-N 2.99Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 2.87Å; K54-R57 PolarHBondContact O-N 3.09Å; K54-E58 WeakPolarHBondContact CE-OE1 3.47Å; K54-E58 HydrophobicContact CG-CG 4.16Å; K54-E58 IonicContact NZ-OE1 3.06Å; K54-E58 PolarHBondContact NZ-OE1 3.11Å; K54-E58 VanDerWaalsContact NZ-OE1 3.13Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.45Å; K54-V83 HydrophobicContact CD-CG1 3.93Å; K54-V83 HydrophobicContact CG-CG1 4.17Å
55L94.1Very high92.5Very high0 Ų069.4 Ų69.40%033%0.325CS..Hα-helixtrans-58.3-42.2-178.9-76.4169.4000112.8L51 E52 R57 E58 A59 V83 D87 F91 F95 L96L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 HydrophobicContact CG-CD1 4.06Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 3.12Å; E52-L55 PolarHBondContact O-N 3.18Å; L55-R57 PolarHBondContact O-N 3.49Å; L55-E58 CarbonylContact O-C 3.59Å; L55-E58 PolarHBondContact O-N 3.42Å; L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.37Å; L55-V83 HydrophobicContact CD2-CB 4.25Å; L55-V83 HydrophobicContact CD2-CG1 3.65Å; L55-V83 HydrophobicContact CG-CG1 4.18Å; L55-D87 HydrophobicContact CD1-CB 3.79Å; L55-D87 HydrophobicContact CD2-CB 3.75Å; L55-D87 HydrophobicContact CG-CB 4.44Å; L55-F91 HydrophobicContact CD1-CD2 3.59Å; L55-F91 HydrophobicContact CD1-CE2 3.65Å; L55-F95 HydrophobicContact CB-CB 3.77Å; L55-F95 HydrophobicContact CB-CD1 4.39Å; L55-F95 HydrophobicContact CB-CD2 3.94Å; L55-F95 HydrophobicContact CB-CG 3.77Å; L55-F95 HydrophobicContact CD1-CB 4.49Å; L55-F95 HydrophobicContact CD1-CD2 3.86Å; L55-F95 HydrophobicContact CD1-CG 4.44Å; L55-F95 HydrophobicContact CG-CB 4.5Å; L55-L96 HydrophobicContact CD2-CD1 3.83Å; L55-L96 HydrophobicContact CD2-CG 4.49Å
56Q92.7Very high92.4Very high88 Ų8866.3 Ų66.341%0.41132%0.32SS..Hα-helixtrans-54.3-34.8173.1-70167.2-1900113.1E52 K54 T60 F95E52-Q56 WeakPolarHBondContact O-CG 3.4Å; E52-Q56 PolarHBondContact O-N 3.18Å; K54-Q56 VanDerWaalsContact C-N 3.35Å; K54-Q56 PolarHBondContact O-N 2.87Å; Q56-T60 PolarHBondContact O-N 3.48Å; Q56-T60 PolarHBondContact O-OG1 3.13Å; Q56-F95 HydrophobicContact CG-CD1 4.01Å; Q56-F95 HydrophobicContact CG-CE1 3.61Å; Q56-F95 HydrophobicContact CG-CZ 4.45Å
57R91.8Very high92.3Very high156 Ų15665.5 Ų65.559%0.58932%0.324SS*.Hα-helixtrans-84.7-25.4177.2-72.7179.6-71.8157.6-2.4113.9S53 K54 L55 T60S53-R57 VanDerWaalsContact O-CZ 3.28Å; S53-R57 PolarHBondContact O-NE 2.74Å; S53-R57 PolarHBondContact O-NH2 3.49Å; K54-R57 PolarHBondContact O-N 3.09Å; L55-R57 PolarHBondContact O-N 3.49Å; R57-T60 PolarHBondContact O-OG1 3.49Å
58E92Very high92.2Very high55 Ų5567.3 Ų67.326%0.25734%0.336SS..Hα-helixtrans-78.3-31.1172.4-58.6-83.6-161.200110.1K54 L55 S61 V83 L96K54-E58 WeakPolarHBondContact CE-OE1 3.47Å; K54-E58 HydrophobicContact CG-CG 4.16Å; K54-E58 IonicContact NZ-OE1 3.06Å; K54-E58 PolarHBondContact NZ-OE1 3.11Å; K54-E58 VanDerWaalsContact NZ-OE1 3.13Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.45Å; L55-E58 CarbonylContact O-C 3.59Å; L55-E58 PolarHBondContact O-N 3.42Å; E58-S61 CarbonylContact O-C 3.51Å; E58-S61 WeakPolarHBondContact O-CA 3.06Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; E58-V83 HydrophobicContact CG-CG1 4.35Å; E58-L96 HydrophobicContact CB-CD1 4.36Å
59A90Very high92.1Very high22 Ų2266.6 Ų66.618%0.18234%0.343CS..Hα-helixtrans-66.2-44.7175.900000112.7L55 S61 F95 L96 H114L55-A59 WeakPolarHBondContact O-CB 3.44Å; L55-A59 PolarHBondContact O-N 3.37Å; A59-S61 PolarHBondContact O-N 3.05Å; A59-S61 VanDerWaalsContact O-N 3.09Å; A59-F95 VanDerWaalsContact CB-O 3.3Å; A59-F95 WeakPolarHBondContact CB-O 3.02Å; A59-L96 HydrophobicContact CB-CD2 4.08Å; A59-H114 PolarHBondContact O-CE1 3.4Å; A59-H114 PolarHBondContact O-ND1 3.49Å; A59-H114 VanDerWaalsContact O-ND1 3.14Å
60T87.6Confident92.1Very high113 Ų11368.4 Ų68.469%0.69335%0.354SS*.THydrogen-bonded Turntrans-68.7-0.517154.40000113.9Q56 R57Q56-T60 PolarHBondContact O-N 3.48Å; Q56-T60 PolarHBondContact O-OG1 3.13Å; R57-T60 PolarHBondContact O-OG1 3.49Å
61S86.1Confident92.1Very high24 Ų2467.8 Ų67.817%0.16835%0.352CS..SBendtrans-109.3110.9176141.40000109.4E58 A59 R63E58-S61 CarbonylContact O-C 3.51Å; E58-S61 WeakPolarHBondContact O-CA 3.06Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; A59-S61 PolarHBondContact O-N 3.05Å; A59-S61 VanDerWaalsContact O-N 3.09Å; S61-R63 PolarHBondContact O-N 2.83Å; S61-R63 WeakPolarHBondContact OG-CD 3.49Å; S61-R63 WeakPolarHBondContact OG-CG 3.5Å
62S75.5Confident92.2Very high84 Ų8470.2 Ų70.259%0.58738%0.375SS*.THydrogen-bonded Turntrans-65.524.6-177.352.30000116.1
63R86.7Confident92.2Very high206 Ų20669.9 Ų69.978%0.77738%0.375SS*.THydrogen-bonded Turntrans-83.7-11.2177.3-62.3176.3-179.9160.5-1.8113.6S61S61-R63 PolarHBondContact O-N 2.83Å; S61-R63 WeakPolarHBondContact OG-CD 3.49Å; S61-R63 WeakPolarHBondContact OG-CG 3.5Å
64A91.2Very high92.3Very high13 Ų1369.1 Ų69.111%0.10737%0.369CS..  trans-66.1145.6173.300000110.6L96 A99 L112A64-L96 HydrophobicContact CB-CD2 4.11Å; A64-A99 HydrophobicContact CB-CB 4.25Å; A64-L112 HydrophobicContact CB-CB 4.16Å; A64-L112 HydrophobicContact CB-CD1 4.15Å; A64-L112 PolarHBondContact O-N 2.77Å
65R94.2Very high92.4Very high124 Ų12473.7 Ų73.747%0.46838%0.384SS..EExtended strand (participates in β ladder)trans-139.1138.9-179-59.4-176.9-61.3-141.51.3110.7L100 A109 R110R65-L100 VanDerWaalsContact O-CB 3.3Å; R65-L100 WeakPolarHBondContact O-CB 3.28Å; R65-L100 PolarHBondContact O-N 3.46Å; R65-A109 HydrophobicContact CB-CB 4.37Å; R65-R110 CarbonylContact C-O 3.6Å; R65-R110 WeakPolarHBondContact CA-O 3.36Å; R65-R110 WeakPolarHBondContact CB-O 3.43Å
66A94.9Very high92.5Very high32 Ų3277.8 Ų77.826%0.26441%0.406SS..EExtended strand (participates in β ladder)trans-83145.816500000109.6A109 R110 L112A66-A109 CarbonylContact O-C 3.56Å; A66-A109 WeakPolarHBondContact O-CA 3.48Å; A66-R110 PolarHBondContact N-O 3.28Å; A66-R110 PolarHBondContact O-N 2.84Å; A66-L112 HydrophobicContact CB-CD2 4.07Å; A66-L112 HydrophobicContact CB-CG 4.18Å
67G95Very high92.7Very high23 Ų2379 Ų7924%0.23742%0.421CS..  trans-101160.6169.200000111.2G69G67-G69 PolarHBondContact O-N 3.04Å
68C95.7Very high93Very high41 Ų4175.5 Ų75.528%0.27741%0.414SS..  trans-70.42.9-177.7690000115.9F70 C74 C106 N108C68-F70 WeakPolarHBondContact O-CD2 3.45Å; C68-F70 PolarHBondContact O-N 2.92Å; C68-C74 PolarHBondContact N-SG 3.27Å; C68-C106 PolarHBondContact N-SG 3.34Å; C68-C106 VanDerWaalsContact N-SG 3.44Å; C68-N108 HydrophobicContact CB-CB 3.89Å
69G94.1Very high93.2Very high42 Ų4274.1 Ų74.143%0.43341%0.41SS..SBendtrans70.3-47.2-173.700000115.5G67 C74G67-G69 PolarHBondContact O-N 3.04Å; G69-C74 PolarHBondContact N-SG 3.36Å; G69-C74 VanDerWaalsContact N-SG 3.39Å; G69-C74 WeakPolarHBondContact O-CB 3.42Å
70F95.8Very high93.3Very high173 Ų17374.7 Ų74.776%0.75942%0.418SS*.SBendtrans-90.2-18.4-163.1-53.1-68.7000116.2C68 R75C68-F70 WeakPolarHBondContact O-CD2 3.45Å; C68-F70 PolarHBondContact O-N 2.92Å; F70-R75 PolarHBondContact O-NH1 2.89Å; F70-R75 VanDerWaalsContact O-NH1 3.09Å; F70-R75 PolarHBondContact O-NH2 3.38Å
71C97.3Very high93.6Very high37 Ų3772.1 Ų72.125%0.2540%0.402CS..SBendtrans-74.8162178.674.30000112.7D73 C74 R75 C106C71-D73 VanDerWaalsContact C-N 3.33Å; C71-D73 PolarHBondContact O-N 2.89Å; C71-C74 WeakPolarHBondContact O-CB 2.76Å; C71-C74 PolarHBondContact O-N 3.36Å; C71-C74 VanDerWaalsContact O-N 3.13Å; C71-C74 PolarHBondContact SG-N 3.47Å; C71-C74 PolarHBondContact SG-SG 2.76Å; C71-R75 PolarHBondContact O-N 3.03Å; C71-C106 PolarHBondContact SG-SG 3.48Å
72A96.8Very high94Very high67 Ų6771.8 Ų71.855%0.55440%0.4SS*.Hα-helixtrans-54.2-46.4178.300000112.3C74 R75 L76A72-C74 VanDerWaalsContact C-N 3.29Å; A72-C74 PolarHBondContact O-N 2.89Å; A72-R75 PolarHBondContact O-N 3.16Å; A72-L76 PolarHBondContact O-N 2.91Å; A72-L76 VanDerWaalsContact O-N 3.1Å
73D96.8Very high94.9Very high55 Ų5569 Ų6929%0.29438%0.379SS..Hα-helixtrans-58.7-35177.8-65.1-90.5000114.4C71 K104 C106C71-D73 VanDerWaalsContact C-N 3.33Å; C71-D73 PolarHBondContact O-N 2.89Å; D73-K104 WeakPolarHBondContact O-CB 3.41Å; D73-K104 VanDerWaalsContact O-CD 3.31Å; D73-K104 WeakPolarHBondContact O-CD 3.48Å; D73-K104 WeakPolarHBondContact O-CG 3.35Å; D73-C106 HydrophobicContact CB-CB 4.38Å
74C96.7Very high95.3Very high12 Ų1260.2 Ų60.28%0.08135%0.347CS..Hα-helixtrans-68.6-38.4175.7-75.90000111.5C68 G69 C71 A72 K104C68-C74 PolarHBondContact N-SG 3.27Å; G69-C74 PolarHBondContact N-SG 3.36Å; G69-C74 VanDerWaalsContact N-SG 3.39Å; G69-C74 WeakPolarHBondContact O-CB 3.42Å; C71-C74 WeakPolarHBondContact O-CB 2.76Å; C71-C74 PolarHBondContact O-N 3.36Å; C71-C74 VanDerWaalsContact O-N 3.13Å; C71-C74 PolarHBondContact SG-N 3.47Å; C71-C74 PolarHBondContact SG-SG 2.76Å; A72-C74 VanDerWaalsContact C-N 3.29Å; A72-C74 PolarHBondContact O-N 2.89Å; C74-K104 WeakPolarHBondContact O-CE 3.36Å; C74-K104 PolarHBondContact O-NZ 3.24Å
75R96.3Very high95.6Very high181 Ų18160 Ų6068%0.68335%0.345SS*.Hα-helixtrans-82-7.7-177.3-65.4-171-67.1-137.5-1.3114.6F70 C71 A72F70-R75 PolarHBondContact O-NH1 2.89Å; F70-R75 VanDerWaalsContact O-NH1 3.09Å; F70-R75 PolarHBondContact O-NH2 3.38Å; C71-R75 PolarHBondContact O-N 3.03Å; A72-R75 PolarHBondContact O-N 3.16Å
76L96.3Very high95.7Very high85 Ų8554.5 Ų54.545%0.44533%0.325SS..SBendtrans-54.4154.8168.9-70.5176000111.5A72 K104A72-L76 PolarHBondContact O-N 2.91Å; A72-L76 VanDerWaalsContact O-N 3.1Å; L76-K104 WeakPolarHBondContact O-CE 3.49Å; L76-K104 PolarHBondContact O-NZ 3.06Å
77P96.8Very high95.7Very high114 Ų11453 Ų5374%0.7431%0.312SS*.PPolyproline II helixtrans-64.6143.8171.126.9-34.3000111.4
78D96.7Very high95.8Very high83 Ų8357.1 Ų57.144%0.44433%0.326SS..PPolyproline II helixtrans-70.1144.3174.1-89.82.1000111.6G80 C101 K104D78-G80 PolarHBondContact O-N 3.12Å; D78-G80 VanDerWaalsContact O-N 3.16Å; D78-C101 HydrophobicContact CB-CB 4.36Å; D78-C101 WeakPolarHBondContact OD1-CB 3.19Å; D78-K104 WeakPolarHBondContact OD1-CE 3.46Å; D78-K104 IonicContact OD1-NZ 3.91Å; D78-K104 PolarHBondContact OD1-NZ 3.07Å
79C95.6Very high95.7Very high26 Ų2664 Ų6418%0.17635%0.346CS..  trans-74.1-8.9-169.975.90000115.2V81 C82 C85 C101 K103C79-V81 HydrophobicContact CB-CG2 4.46Å; C79-V81 PolarHBondContact O-N 2.66Å; C79-C82 VanDerWaalsContact SG-CB 3.57Å; C79-C82 PolarHBondContact SG-N 3.29Å; C79-C82 VanDerWaalsContact SG-N 3.36Å; C79-C85 VanDerWaalsContact SG-SG 3.68Å; C79-C101 PolarHBondContact N-SG 3.46Å; C79-C101 VanDerWaalsContact N-SG 3.38Å; C79-K103 HydrophobicContact CB-CB 4.28Å; C79-K103 HydrophobicContact CB-CD 3.56Å; C79-K103 HydrophobicContact CB-CG 3.73Å
80G93.9Very high95.8Very high33 Ų3365.2 Ų65.234%0.3434%0.339SS..SBendtrans62.9-4.4-179.900000116.9D78D78-G80 PolarHBondContact O-N 3.12Å; D78-G80 VanDerWaalsContact O-N 3.16Å
81V93.6Very high95.8Very high60 Ų6059 Ų5936%0.36431%0.312SS..SBendtrans-128.9-17-168.8-58.40000116.2R46 C79R46-V81 PolarHBondContact NH2-O 3.34Å; C79-V81 HydrophobicContact CB-CG2 4.46Å; C79-V81 PolarHBondContact O-N 2.66Å
82C94.6Very high95.7Very high17 Ų1761.1 Ų61.112%0.11533%0.332CS..SBendtrans-76.7164.6173.381.50000111.3C79 I84 C85 L86 T102C79-C82 VanDerWaalsContact SG-CB 3.57Å; C79-C82 PolarHBondContact SG-N 3.29Å; C79-C82 VanDerWaalsContact SG-N 3.36Å; C82-I84 VanDerWaalsContact C-N 3.33Å; C82-I84 PolarHBondContact O-N 3.04Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-SG 3.04Å; C82-L86 VanDerWaalsContact O-CG 3.28Å; C82-L86 WeakPolarHBondContact O-CG 3.49Å; C82-L86 PolarHBondContact O-N 2.95Å; C82-T102 HydrophobicContact CB-CG2 4.11Å; C82-T102 WeakPolarHBondContact CB-OG1 3.39Å
83V94.3Very high95.6Very high26 Ų2658.2 Ų58.216%0.15831%0.309CS..Hα-helixtrans-60.1-41.9-173.1-135.70000112.2L51 K54 L55 E58 L86 D87L51-V83 HydrophobicContact CD1-CG1 4.37Å; K54-V83 HydrophobicContact CD-CG1 3.93Å; K54-V83 HydrophobicContact CG-CG1 4.17Å; L55-V83 HydrophobicContact CD2-CB 4.25Å; L55-V83 HydrophobicContact CD2-CG1 3.65Å; L55-V83 HydrophobicContact CG-CG1 4.18Å; E58-V83 HydrophobicContact CG-CG1 4.35Å; V83-L86 CarbonylContact O-C 3.3Å; V83-L86 WeakPolarHBondContact O-CA 3.44Å; V83-L86 WeakPolarHBondContact O-CB 3.28Å; V83-L86 PolarHBondContact O-N 3.16Å; V83-D87 PolarHBondContact O-N 2.85Å
84I95.3Very high95.4Very high21 Ų2162.7 Ų62.711%0.10833%0.327CS..Hα-helixtrans-59.6-47.7176.2-65.6168000111.7C82 L86 D87 Q88 L96 A99 L100 T102C82-I84 VanDerWaalsContact C-N 3.33Å; C82-I84 PolarHBondContact O-N 3.04Å; I84-L86 PolarHBondContact O-N 3.38Å; I84-D87 WeakPolarHBondContact O-CB 3.45Å; I84-D87 PolarHBondContact O-N 3.14Å; I84-Q88 PolarHBondContact O-N 3.33Å; I84-L96 HydrophobicContact CG1-CD1 3.83Å; I84-A99 HydrophobicContact CD1-CB 3.95Å; I84-A99 HydrophobicContact CG1-CB 4.07Å; I84-A99 HydrophobicContact CG2-CB 3.86Å; I84-A99 WeakPolarHBondContact CG2-O 3.34Å; I84-L100 VanDerWaalsContact CD1-O 3.22Å; I84-L100 WeakPolarHBondContact CD1-O 3.35Å; I84-T102 HydrophobicContact CD1-CG2 3.81Å; I84-T102 HydrophobicContact CG1-CG2 4.5Å
85C96.7Very high95.3Very high9 Ų963.9 Ų63.96%0.06133%0.331CS..Hα-helixtrans-66.8-19.8176.2-610000113.4C79 C82 R89 C101C79-C85 VanDerWaalsContact SG-SG 3.68Å; C82-C85 PolarHBondContact O-N 3.38Å; C82-C85 PolarHBondContact SG-SG 3.04Å; C85-R89 VanDerWaalsContact O-CB 3.27Å; C85-R89 WeakPolarHBondContact O-CB 3.42Å; C85-R89 PolarHBondContact O-N 2.69Å; C85-C101 VanDerWaalsContact SG-CB 3.58Å
86L95.7Very high95.2Very high7 Ų756.1 Ų56.14%0.03730%0.303CS..Hα-helixtrans-85.2-32.3175.5-65.5166.6000111.5R46 L51 C82 V83 I84 R89 F90R46-L86 VanDerWaalsContact NH1-CD2 3.35Å; L51-L86 HydrophobicContact CD1-CB 3.86Å; L51-L86 HydrophobicContact CD1-CD1 3.99Å; L51-L86 HydrophobicContact CD2-CB 3.91Å; L51-L86 HydrophobicContact CG-CB 4.49Å; C82-L86 VanDerWaalsContact O-CG 3.28Å; C82-L86 WeakPolarHBondContact O-CG 3.49Å; C82-L86 PolarHBondContact O-N 2.95Å; V83-L86 CarbonylContact O-C 3.3Å; V83-L86 WeakPolarHBondContact O-CA 3.44Å; V83-L86 WeakPolarHBondContact O-CB 3.28Å; V83-L86 PolarHBondContact O-N 3.16Å; I84-L86 PolarHBondContact O-N 3.38Å; L86-R89 PolarHBondContact O-N 3.13Å; L86-F90 HydrophobicContact CB-CD2 4.42Å; L86-F90 HydrophobicContact CD2-CD2 4.19Å; L86-F90 HydrophobicContact CD2-CE2 3.84Å; L86-F90 WeakPolarHBondContact O-CB 3.36Å; L86-F90 WeakPolarHBondContact O-CD2 3.31Å; L86-F90 PolarHBondContact O-N 3.15Å
87D96.2Very high95Very high1 Ų156.2 Ų56.21%0.00531%0.309CS..Hα-helixtrans-59.4-53.4167.6-169.327.3000110.9L55 V83 I84 R89 F90 F91 A92 G93 F95 L96L55-D87 HydrophobicContact CD1-CB 3.79Å; L55-D87 HydrophobicContact CD2-CB 3.75Å; L55-D87 HydrophobicContact CG-CB 4.44Å; V83-D87 PolarHBondContact O-N 2.85Å; I84-D87 WeakPolarHBondContact O-CB 3.45Å; I84-D87 PolarHBondContact O-N 3.14Å; D87-R89 PolarHBondContact O-N 2.91Å; D87-R89 VanDerWaalsContact O-N 3.13Å; D87-F90 PolarHBondContact O-N 3.09Å; D87-F91 CarbonylContact O-C 2.95Å; D87-F91 WeakPolarHBondContact O-CA 3.01Å; D87-F91 PolarHBondContact O-N 2.64Å; D87-A92 PolarHBondContact O-N 3.03Å; D87-A92 VanDerWaalsContact O-N 3.14Å; D87-G93 PolarHBondContact O-N 2.96Å; D87-G93 VanDerWaalsContact OD2-CA 3.32Å; D87-G93 WeakPolarHBondContact OD2-CA 3.49Å; D87-F95 WeakPolarHBondContact OD1-CD2 3.39Å; D87-F95 PolarHBondContact OD1-N 3.39Å; D87-F95 PolarHBondContact OD2-N 3.24Å; D87-F95 VanDerWaalsContact OD2-N 3.12Å; D87-L96 WeakPolarHBondContact OD2-CB 2.85Å; D87-L96 PolarHBondContact OD2-N 3.22Å
88Q95.7Very high94.8Very high110 Ų11053.6 Ų53.651%0.51430%0.303SS..Hα-helixtrans-58-31.3177.7-164.158.959.800113.2I84 A92I84-Q88 PolarHBondContact O-N 3.33Å; Q88-A92 VanDerWaalsContact NE2-C 3.28Å; Q88-A92 PolarHBondContact NE2-O 3Å
89R95.2Very high94.7Very high186 Ų18650.5 Ų50.570%0.70229%0.288SS*.Hα-helixtrans-85.2-36.6-178.5178.4175.6174.81674.6114.5C85 L86 D87C85-R89 VanDerWaalsContact O-CB 3.27Å; C85-R89 WeakPolarHBondContact O-CB 3.42Å; C85-R89 PolarHBondContact O-N 2.69Å; L86-R89 PolarHBondContact O-N 3.13Å; D87-R89 PolarHBondContact O-N 2.91Å; D87-R89 VanDerWaalsContact O-N 3.13Å
90F95.5Very high94.7Very high67 Ų6750.7 Ų50.729%0.29429%0.288SS..Hα-helixtrans-107-21.6-172.2-74.5-81.7000113.8I48 L51 L86 D87I48-F90 HydrophobicContact CG1-CD1 4.45Å; L51-F90 HydrophobicContact CD2-CB 4.02Å; L51-F90 HydrophobicContact CD2-CD2 3.59Å; L51-F90 HydrophobicContact CD2-CE2 4.29Å; L51-F90 HydrophobicContact CD2-CG 3.93Å; L86-F90 HydrophobicContact CB-CD2 4.42Å; L86-F90 HydrophobicContact CD2-CD2 4.19Å; L86-F90 HydrophobicContact CD2-CE2 3.84Å; L86-F90 WeakPolarHBondContact O-CB 3.36Å; L86-F90 WeakPolarHBondContact O-CD2 3.31Å; L86-F90 PolarHBondContact O-N 3.15Å; D87-F90 PolarHBondContact O-N 3.09Å
91F96.3Very high94.9Very high43 Ų4349.2 Ų49.219%0.18927%0.272CS..SBendtrans-13820.9-176-48-81.5000112.2I48 L51 E52 L55 D87 G93 H94 F95I48-F91 HydrophobicContact CG2-CE1 3.63Å; I48-F91 HydrophobicContact CG2-CZ 3.55Å; L51-F91 HydrophobicContact CB-CE2 4.47Å; L51-F91 HydrophobicContact CD2-CE2 3.8Å; L51-F91 HydrophobicContact CG-CE2 3.96Å; E52-F91 HydrophobicContact CB-CE1 4.35Å; E52-F91 HydrophobicContact CB-CZ 3.84Å; L55-F91 HydrophobicContact CD1-CD2 3.59Å; L55-F91 HydrophobicContact CD1-CE2 3.65Å; D87-F91 CarbonylContact O-C 2.95Å; D87-F91 WeakPolarHBondContact O-CA 3.01Å; D87-F91 PolarHBondContact O-N 2.64Å; F91-G93 PolarHBondContact O-N 2.99Å; F91-H94 HydrophobicContact CB-CB 4.31Å; F91-H94 WeakPolarHBondContact O-CB 3.21Å; F91-H94 PolarHBondContact O-N 3.25Å; F91-F95 HydrophobicContact CB-CD2 4.09Å; F91-F95 HydrophobicContact CB-CE2 4.07Å; F91-F95 AromaticContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD2-CD2 4.04Å; F91-F95 AromaticContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CE1-CE2 4.22Å; F91-F95 HydrophobicContact CE2-CE2 4.33Å; F91-F95 HydrophobicContact CG-CD2 4.02Å; F91-F95 AromaticContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CZ-CE2 4.44Å
92A95Very high94.9Very high81 Ų8150.5 Ų50.567%0.66928%0.28SS*.THydrogen-bonded Turntrans54.615.5179.900000116.5D87 Q88D87-A92 PolarHBondContact O-N 3.03Å; D87-A92 VanDerWaalsContact O-N 3.14Å; Q88-A92 VanDerWaalsContact NE2-C 3.28Å; Q88-A92 PolarHBondContact NE2-O 3Å
93G93.5Very high95Very high6 Ų656.7 Ų56.76%0.06231%0.305CS..THydrogen-bonded Turntrans92.415.2-176.700000114.3D87 F91 F95 L96 P97D87-G93 PolarHBondContact O-N 2.96Å; D87-G93 VanDerWaalsContact OD2-CA 3.32Å; D87-G93 WeakPolarHBondContact OD2-CA 3.49Å; F91-G93 PolarHBondContact O-N 2.99Å; G93-F95 VanDerWaalsContact C-N 3.31Å; G93-F95 PolarHBondContact O-N 3.11Å; G93-L96 CarbonylContact O-C 3.52Å; G93-P97 VanDerWaalsContact O-CA 3.25Å; G93-P97 WeakPolarHBondContact O-CA 3.13Å; G93-P97 WeakPolarHBondContact O-CD 3.27Å; G93-P97 VanDerWaalsContact O-N 3.11Å
94H94.4Very high95.1Very high148 Ų14856.5 Ų56.569%0.68530%0.302SS*.SBendtrans-62.1-30.8-175.3-178.8-90.4000114.1F91F91-H94 HydrophobicContact CB-CB 4.31Å; F91-H94 WeakPolarHBondContact O-CB 3.21Å; F91-H94 PolarHBondContact O-N 3.25Å
95F93.6Very high95.1Very high38 Ų3863.5 Ų63.517%0.16733%0.332CS..SBendtrans-90.2-26.9-177.3-67.4-77.6000113.7E52 L55 Q56 A59 D87 F91 G93E52-F95 HydrophobicContact CG-CE2 4.46Å; E52-F95 HydrophobicContact CG-CZ 3.89Å; L55-F95 HydrophobicContact CB-CB 3.77Å; L55-F95 HydrophobicContact CB-CD1 4.39Å; L55-F95 HydrophobicContact CB-CD2 3.94Å; L55-F95 HydrophobicContact CB-CG 3.77Å; L55-F95 HydrophobicContact CD1-CB 4.49Å; L55-F95 HydrophobicContact CD1-CD2 3.86Å; L55-F95 HydrophobicContact CD1-CG 4.44Å; L55-F95 HydrophobicContact CG-CB 4.5Å; Q56-F95 HydrophobicContact CG-CD1 4.01Å; Q56-F95 HydrophobicContact CG-CE1 3.61Å; Q56-F95 HydrophobicContact CG-CZ 4.45Å; A59-F95 VanDerWaalsContact CB-O 3.3Å; A59-F95 WeakPolarHBondContact CB-O 3.02Å; D87-F95 WeakPolarHBondContact OD1-CD2 3.39Å; D87-F95 PolarHBondContact OD1-N 3.39Å; D87-F95 PolarHBondContact OD2-N 3.24Å; D87-F95 VanDerWaalsContact OD2-N 3.12Å; F91-F95 HydrophobicContact CB-CD2 4.09Å; F91-F95 HydrophobicContact CB-CE2 4.07Å; F91-F95 AromaticContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD1-CE2 3.85Å; F91-F95 HydrophobicContact CD2-CD2 4.04Å; F91-F95 AromaticContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CD2-CE2 3.95Å; F91-F95 HydrophobicContact CE1-CE2 4.22Å; F91-F95 HydrophobicContact CE2-CE2 4.33Å; F91-F95 HydrophobicContact CG-CD2 4.02Å; F91-F95 AromaticContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CG-CE2 3.69Å; F91-F95 HydrophobicContact CZ-CE2 4.44Å; G93-F95 VanDerWaalsContact C-N 3.31Å; G93-F95 PolarHBondContact O-N 3.11Å
96L93.5Very high95.1Very high17 Ų1763.5 Ų63.59%0.08933%0.332CS..SBendtrans-137.658.6-176.3-65.6173.4000110.7L55 E58 A59 A64 I84 D87 G93 G98 A99L55-L96 HydrophobicContact CD2-CD1 3.83Å; L55-L96 HydrophobicContact CD2-CG 4.49Å; E58-L96 HydrophobicContact CB-CD1 4.36Å; A59-L96 HydrophobicContact CB-CD2 4.08Å; A64-L96 HydrophobicContact CB-CD2 4.11Å; I84-L96 HydrophobicContact CG1-CD1 3.83Å; D87-L96 WeakPolarHBondContact OD2-CB 2.85Å; D87-L96 PolarHBondContact OD2-N 3.22Å; G93-L96 CarbonylContact O-C 3.52Å; L96-G98 PolarHBondContact O-N 3.36Å; L96-A99 HydrophobicContact CB-CB 3.91Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 2.88Å; L96-A99 VanDerWaalsContact O-N 3.13Å
97P93Very high95.1Very high87 Ų8767.7 Ų67.757%0.56537%0.367SS*.THydrogen-bonded Turntrans-60.8135.4-17424.4-34.7000112G93 A99G93-P97 VanDerWaalsContact O-CA 3.25Å; G93-P97 WeakPolarHBondContact O-CA 3.13Å; G93-P97 WeakPolarHBondContact O-CD 3.27Å; G93-P97 VanDerWaalsContact O-N 3.11Å; P97-A99 PolarHBondContact O-N 3.35Å
98G93.1Very high95.1Very high60 Ų6073.1 Ų73.162%0.61940%0.396SS*.THydrogen-bonded Turntrans703.9-178.200000115.5L96L96-G98 PolarHBondContact O-N 3.36Å
99A95.2Very high95Very high17 Ų1769.2 Ų69.214%0.1438%0.383CS..  trans-71.9132.4-178.300000112.2A64 I84 L96 P97 L112A64-A99 HydrophobicContact CB-CB 4.25Å; I84-A99 HydrophobicContact CD1-CB 3.95Å; I84-A99 HydrophobicContact CG1-CB 4.07Å; I84-A99 HydrophobicContact CG2-CB 3.86Å; I84-A99 WeakPolarHBondContact CG2-O 3.34Å; L96-A99 HydrophobicContact CB-CB 3.91Å; L96-A99 WeakPolarHBondContact O-CB 3.41Å; L96-A99 PolarHBondContact O-N 2.88Å; L96-A99 VanDerWaalsContact O-N 3.13Å; P97-A99 PolarHBondContact O-N 3.35Å; A99-L112 VanDerWaalsContact CA-CD1 3.5Å; A99-L112 HydrophobicContact CB-CD1 3.73Å
100L95.4Very high94.9Very high31 Ų3169.9 Ų69.916%0.16239%0.385CS..  trans-79.1132.9-179.9-16675.2000110.8R65 I84 T102 K104 C106R65-L100 VanDerWaalsContact O-CB 3.3Å; R65-L100 WeakPolarHBondContact O-CB 3.28Å; R65-L100 PolarHBondContact O-N 3.46Å; I84-L100 VanDerWaalsContact CD1-O 3.22Å; I84-L100 WeakPolarHBondContact CD1-O 3.35Å; L100-T102 PolarHBondContact O-N 3.2Å; L100-K104 HydrophobicContact CD1-CB 4.37Å; L100-K104 HydrophobicContact CD1-CD 3.73Å; L100-K104 HydrophobicContact CD2-CB 3.65Å; L100-K104 HydrophobicContact CG-CB 3.81Å; L100-K104 HydrophobicContact CG-CD 3.98Å; L100-K104 HydrophobicContact CG-CG 4.47Å; L100-C106 HydrophobicContact CD2-CB 3.84Å
101C96.9Very high94.8Very high2 Ų271.1 Ų71.11%0.01440%0.4CS..  trans-44.8131174.11640000112.5D78 C79 C85 K103 K104D78-C101 HydrophobicContact CB-CB 4.36Å; D78-C101 WeakPolarHBondContact OD1-CB 3.19Å; C79-C101 PolarHBondContact N-SG 3.46Å; C79-C101 VanDerWaalsContact N-SG 3.38Å; C85-C101 VanDerWaalsContact SG-CB 3.58Å; C101-K103 PolarHBondContact O-N 3.32Å; C101-K104 HydrophobicContact CB-CD 4.09Å; C101-K104 HydrophobicContact CB-CG 4.16Å; C101-K104 WeakPolarHBondContact O-CB 3.39Å; C101-K104 PolarHBondContact O-N 2.91Å
102T94.8Very high94.3Very high86 Ų8671.1 Ų71.153%0.52840%0.402SS..THydrogen-bonded Turntrans-63.6-10.2-172.269.60000115.3C82 I84 L100C82-T102 HydrophobicContact CB-CG2 4.11Å; C82-T102 WeakPolarHBondContact CB-OG1 3.39Å; I84-T102 HydrophobicContact CD1-CG2 3.81Å; I84-T102 HydrophobicContact CG1-CG2 4.5Å; L100-T102 PolarHBondContact O-N 3.2Å
103K95.5Very high93.3Very high148 Ų14874 Ų7464%0.64341%0.406SS*.THydrogen-bonded Turntrans-82.8-22.3171.5-73.9-157.3-176.3-177.80113.6C79 C101C79-K103 HydrophobicContact CB-CB 4.28Å; C79-K103 HydrophobicContact CB-CD 3.56Å; C79-K103 HydrophobicContact CB-CG 3.73Å; C101-K103 PolarHBondContact O-N 3.32Å
104K96.5Very high91.9Very high22 Ų2278.2 Ų78.210%0.09642%0.424CS..  trans-79.2132.9-177-63.7-177.5165.8176.60110.1D73 C74 L76 D78 L100 C101D73-K104 WeakPolarHBondContact O-CB 3.41Å; D73-K104 VanDerWaalsContact O-CD 3.31Å; D73-K104 WeakPolarHBondContact O-CD 3.48Å; D73-K104 WeakPolarHBondContact O-CG 3.35Å; C74-K104 WeakPolarHBondContact O-CE 3.36Å; C74-K104 PolarHBondContact O-NZ 3.24Å; L76-K104 WeakPolarHBondContact O-CE 3.49Å; L76-K104 PolarHBondContact O-NZ 3.06Å; D78-K104 WeakPolarHBondContact OD1-CE 3.46Å; D78-K104 IonicContact OD1-NZ 3.91Å; D78-K104 PolarHBondContact OD1-NZ 3.07Å; L100-K104 HydrophobicContact CD1-CB 4.37Å; L100-K104 HydrophobicContact CD1-CD 3.73Å; L100-K104 HydrophobicContact CD2-CB 3.65Å; L100-K104 HydrophobicContact CG-CB 3.81Å; L100-K104 HydrophobicContact CG-CD 3.98Å; L100-K104 HydrophobicContact CG-CG 4.47Å; C101-K104 HydrophobicContact CB-CD 4.09Å; C101-K104 HydrophobicContact CB-CG 4.16Å; C101-K104 WeakPolarHBondContact O-CB 3.39Å; C101-K104 PolarHBondContact O-N 2.91Å
105K95.5Very high90Very high167 Ų16776.5 Ų76.573%0.72643%0.426SS*.  trans-114.240.3-171.5-70.6169165.9-740112.5A107K105-A107 PolarHBondContact O-N 3.48Å; K105-A107 VanDerWaalsContact O-N 3.11Å
106C97Very high87.8Confident9 Ų978.4 Ų78.46%0.06144%0.444CS..  trans-50.9118.8177.9176.40000111.4C68 C71 D73 L100 N108 A109C68-C106 PolarHBondContact N-SG 3.34Å; C68-C106 VanDerWaalsContact N-SG 3.44Å; C71-C106 PolarHBondContact SG-SG 3.48Å; D73-C106 HydrophobicContact CB-CB 4.38Å; L100-C106 HydrophobicContact CD2-CB 3.84Å; C106-N108 PolarHBondContact O-N 3.49Å; C106-N108 PolarHBondContact SG-N 3.13Å; C106-A109 HydrophobicContact CB-CB 4.22Å; C106-A109 WeakPolarHBondContact O-CB 3.18Å; C106-A109 PolarHBondContact O-N 2.8Å
107A95.8Very high85.8Confident95 Ų9584.9 Ų84.979%0.78549%0.485SS*.THydrogen-bonded Turntrans-60.7-35.6177.600000112.1K105 A109K105-A107 PolarHBondContact O-N 3.48Å; K105-A107 VanDerWaalsContact O-N 3.11Å; A107-A109 PolarHBondContact O-N 3.24Å
108N95.1Very high83.5Confident115 Ų11585.5 Ų85.562%0.61549%0.491SS*.THydrogen-bonded Turntrans-88.828179.7-61.8-5.8000112.5C68 C106C68-N108 HydrophobicContact CB-CB 3.89Å; C106-N108 PolarHBondContact O-N 3.49Å; C106-N108 PolarHBondContact SG-N 3.13Å
109A94.8Very high80.8Confident28 Ų2887 Ų8723%0.23149%0.492CS..PPolyproline II helixtrans-76.3126-178.800000111.9R65 A66 C106 A107R65-A109 HydrophobicContact CB-CB 4.37Å; A66-A109 CarbonylContact O-C 3.56Å; A66-A109 WeakPolarHBondContact O-CA 3.48Å; C106-A109 HydrophobicContact CB-CB 4.22Å; C106-A109 WeakPolarHBondContact O-CB 3.18Å; C106-A109 PolarHBondContact O-N 2.8Å; A107-A109 PolarHBondContact O-N 3.24Å
110R93.5Very high78.4Confident200 Ų20094.3 Ų94.376%0.75552%0.523SS*.EExtended strand (participates in β ladder)trans-103.7141.1178.8-65.1-175.1176.2-167.5-2.3110.8R65 A66R65-R110 CarbonylContact C-O 3.6Å; R65-R110 WeakPolarHBondContact CA-O 3.36Å; R65-R110 WeakPolarHBondContact CB-O 3.43Å; A66-R110 PolarHBondContact N-O 3.28Å; A66-R110 PolarHBondContact O-N 2.84Å
111P91.9Very high76Confident93 Ų93101.9 Ų101.960%0.60456%0.563SS**EExtended strand (participates in β ladder)trans-55.7141.7170-23.133.9000111.6N113P111-N113 PolarHBondContact O-N 2.72Å
112L86.5Confident73.3Confident43 Ų43106.5 Ų106.523%0.22560%0.595CS.*  trans-89.2101.1171-80.9166.3000109.5A64 A66 A99 H114A64-L112 HydrophobicContact CB-CB 4.16Å; A64-L112 HydrophobicContact CB-CD1 4.15Å; A64-L112 PolarHBondContact O-N 2.77Å; A66-L112 HydrophobicContact CB-CD2 4.07Å; A66-L112 HydrophobicContact CB-CG 4.18Å; A99-L112 VanDerWaalsContact CA-CD1 3.5Å; A99-L112 HydrophobicContact CB-CD1 3.73Å; L112-H114 VanDerWaalsContact C-N 3.32Å; L112-H114 PolarHBondContact O-N 3.33Å
113N74.2Confident70.8Confident143 Ų143107.5 Ų107.577%0.76561%0.605SS**  trans-67.998.3154.3-74.8-3.7000107P111P111-N113 PolarHBondContact O-N 2.72Å
114H63.9Low68.3Low93 Ų93106.3 Ų106.343%0.43162%0.616SS.*  trans-59.6132164.247.5-96.9000107.9A59 L112 S116A59-H114 PolarHBondContact O-CE1 3.4Å; A59-H114 PolarHBondContact O-ND1 3.49Å; A59-H114 VanDerWaalsContact O-ND1 3.14Å; L112-H114 VanDerWaalsContact C-N 3.32Å; L112-H114 PolarHBondContact O-N 3.33Å; H114-S116 PolarHBondContact O-N 2.78Å
115P53.6Low65.7Low113 Ų113111.1 Ų111.173%0.73465%0.652SS**  trans-64.5107.1167.626.9-31.5000107.3T117P115-T117 PolarHBondContact O-N 3.3Å
116S49.2Very low63.4Low78 Ų78108.5 Ų108.555%0.54566%0.655SS.*  trans-54.7129.2166.449.40000107.9H114 S118H114-S116 PolarHBondContact O-N 2.78Å; S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 3.09Å; S116-S118 PolarHBondContact O-OG 3.34Å
117T49.9Very low60.9Low152 Ų152113.4 Ų113.493%0.93369%0.689SS**SBendtrans-70.581.6-171.6500000111.4P115P115-T117 PolarHBondContact O-N 3.3Å
118S44.8Very low59Low100 Ų100114.5 Ų114.570%0.69969%0.691SS**  trans-142.58-175.158.70000114.3S116S116-S118 VanDerWaalsContact C-N 3.29Å; S116-S118 PolarHBondContact O-N 3.09Å; S116-S118 PolarHBondContact O-OG 3.34Å
119S37.2Very low56.5Low92 Ų92117.6 Ų117.664%0.64370%0.702SS**SBendtrans-14985.6-175.858.40000112.5
120H44.9Very low54.2Low170 Ų170124 Ų12479%0.78773%0.732SS**  trans-179.56.4146.9-107.8-65.7000115.5S122H120-S122 PolarHBondContact O-N 3.1Å
121L44.8Very low51.9Low191 Ų191118.2 Ų118.2100%173%0.727SS**  trans-72.373.5168.5-82.8166.6000110.9
122S39.5Very low49.6Very low99 Ų99121.6 Ų121.669%0.69274%0.739SS**  trans-153.331.7-174.465.70000114.5H120H120-S122 PolarHBondContact O-N 3.1Å
123S43.3Very low47.8Very low106 Ų106125.1 Ų125.174%0.74176%0.761SS**SBendtrans-164.458.2175.964.30000116.4
124S43.4Very low46.2Very low123 Ų123124.7 Ų124.786%0.8676%0.764SS**  trans-179.7134.5143.9510000111.9
125S41Very low45.6Very low124 Ų124126.1 Ų126.187%0.86778%0.779SS**  trans-117.1107.1177.154.90000110.3
126S48.4Very low45Very low112 Ų112128.8 Ų128.878%0.78379%0.787SS**  trans-149.4133.4166.356.50000110.5
127S43.9Very low44.8Very low111 Ų111127.4 Ų127.478%0.77679%0.785SS**  trans-60.1141.1179.450.50000113.6
128S54.5Low44.6Very low119 Ų119126.5 Ų126.583%0.83278%0.783SS**  -168.8163.1105.2-94.80000111.9
129Q43.7Very low45Very low179 Ų179126.6 Ų126.684%0.83678%0.783SS**  trans-83.3145.5177.7-63.2151.13.400109.6
130D46.9Very low45.9Very low163 Ų163127.7 Ų127.787%0.87279%0.788SS**  179.3158.2124.4-101.7-35.1000115.9
131A44.8Very low46.6Very low78 Ų78129.1 Ų129.165%0.64579%0.792SS**  trans49.685.5155.800000120.3V133A131-V133 HydrophobicContact CB-CG2 4.46Å; A131-V133 PolarHBondContact O-N 3.05Å; A131-V133 VanDerWaalsContact O-N 3.14Å
132I43.6Very low47.1Very low165 Ų165123.8 Ų123.885%0.84677%0.769SS**  trans-73.797.3156.3-58.1176.3000109.3V134I132-V134 HydrophobicContact CG2-CG2 4.25Å; I132-V134 PolarHBondContact O-N 3.21Å
133V48.9Very low47.7Very low116 Ų116126 Ų12670%0.70377%0.773SS**  trans-84.4103.6172.4-175.10000109.9A131 V135A131-V133 HydrophobicContact CB-CG2 4.46Å; A131-V133 PolarHBondContact O-N 3.05Å; A131-V133 VanDerWaalsContact O-N 3.14Å; V133-V135 HydrophobicContact CG1-CG2 4.03Å; V133-V135 PolarHBondContact O-N 2.92Å
134V41.3Very low48.3Very low135 Ų135122 Ų12282%0.81874%0.744SS**  trans-73.6109175.6-179.70000109.8I132I132-V134 HydrophobicContact CG2-CG2 4.25Å; I132-V134 PolarHBondContact O-N 3.21Å
135V50.5Low49.2Very low122 Ų122121.7 Ų121.774%0.73974%0.742SS**  trans-108.3123.9172.8-174.10000110V133 G137V133-V135 HydrophobicContact CG1-CG2 4.03Å; V133-V135 PolarHBondContact O-N 2.92Å; V135-G137 PolarHBondContact O-N 3.02Å
136D41.2Very low50.5Low170 Ų170118.4 Ų118.491%0.90972%0.719SS**  trans-61.4124-179.6-115.9-48.4000112.5
137G44.2Very low51.5Low49 Ų49118.9 Ų118.951%0.50572%0.717SS.*SBendtrans150.277.3165.300000118.6V135V135-G137 PolarHBondContact O-N 3.02Å
138C47Very low52.8Low132 Ų132120 Ų12089%0.89271%0.713SS**  trans65.599.9167-570000115.8
139C52.6Low53.3Low103 Ų103118.3 Ų118.370%0.69669%0.692SS**PPolyproline II helixtrans-57.1133.5173.8-49.30000112
140P55.7Low54.5Low115 Ų115115.3 Ų115.375%0.74768%0.676SS**PPolyproline II helixtrans-63.4144.7157.830.4-33.2000108.5P142P140-P142 VanDerWaalsContact O-CD 3.27Å; P140-P142 WeakPolarHBondContact O-CD 3.4Å
141K59.3Low56Low200 Ų200112.8 Ų112.887%0.8766%0.659SS**PPolyproline II helixtrans-72.3119.3176.6-67.9-172.8176.2-169.60109.5
142P55.7Low57.7Low79 Ų79112.5 Ų112.551%0.51365%0.649SS.*PPolyproline II helixtrans-62.7149.3158.830.2-33.6000108.4P140 P144P140-P142 VanDerWaalsContact O-CD 3.27Å; P140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-P144 VanDerWaalsContact O-CD 3.3Å; P142-P144 WeakPolarHBondContact O-CD 3.34Å
143N52.5Low59.1Low146 Ų146106.3 Ų106.378%0.78162%0.62SS**  trans-98.596.7174.6-17025000107.5S145N143-S145 PolarHBondContact O-N 2.96Å
144P55.1Low60.6Low21 Ų21105.4 Ų105.414%0.13661%0.611CS.*  trans-79.2116-161.8-9.627.4000109.9P142 E149 K150P142-P144 VanDerWaalsContact O-CD 3.3Å; P142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-E149 WeakPolarHBondContact CA-OE2 3.15Å; P144-E149 HydrophobicContact CB-CB 3.88Å; P144-E149 HydrophobicContact CB-CG 3.8Å; P144-K150 HydrophobicContact CB-CG 3.73Å; P144-K150 HydrophobicContact CG-CG 4.1Å; P144-K150 WeakPolarHBondContact O-CE 3.42Å
145S62.2Low62.6Low117 Ų117102 Ų10282%0.81859%0.589SS**  trans-83.1-19.5-174.4-67.10000112.4N143 E149N143-S145 PolarHBondContact O-N 2.96Å; S145-E149 PolarHBondContact N-OE2 3.12Å; S145-E149 VanDerWaalsContact N-OE2 3.13Å
146S68.2Low64.2Low54 Ų54102.5 Ų102.538%0.37858%0.583SS.*SBendtrans-106.7155.6176.676.20000112.8I148 E149 K150S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 2.96Å; S146-E149 PolarHBondContact O-N 3.04Å; S146-E149 WeakPolarHBondContact OG-CB 3.46Å; S146-E149 PolarHBondContact OG-N 3.29Å; S146-K150 PolarHBondContact O-N 3.05Å
147V69.4Low66.1Low122 Ų12298 Ų9874%0.73956%0.558SS**Hα-helixtrans-64.8-38.3177.7-179.80000111.4E149 K150 Q151V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.89Å; V147-K150 PolarHBondContact O-N 3.03Å; V147-Q151 PolarHBondContact O-N 2.93Å; V147-Q151 VanDerWaalsContact O-N 3.07Å
148I71.1Confident68Low134 Ų134102.6 Ų102.669%0.68756%0.56SS**Hα-helixtrans-62.5-42.5179.3-58.5173000110.7S146 Q151 T152S146-I148 VanDerWaalsContact C-N 3.33Å; S146-I148 PolarHBondContact O-N 2.96Å; I148-Q151 WeakPolarHBondContact O-CB 3.42Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.15Å; I148-T152 PolarHBondContact O-N 3.17Å; I148-T152 PolarHBondContact O-OG1 3.4Å
149E66.6Low69.9Low85 Ų85101 Ų10140%0.39754%0.542SS..Hα-helixtrans-73-26.8-179.7-162.2-173.9-158.600112.7P144 S145 S146 V147 T152 C153P144-E149 WeakPolarHBondContact CA-OE2 3.15Å; P144-E149 HydrophobicContact CB-CB 3.88Å; P144-E149 HydrophobicContact CB-CG 3.8Å; S145-E149 PolarHBondContact N-OE2 3.12Å; S145-E149 VanDerWaalsContact N-OE2 3.13Å; S146-E149 PolarHBondContact O-N 3.04Å; S146-E149 WeakPolarHBondContact OG-CB 3.46Å; S146-E149 PolarHBondContact OG-N 3.29Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 2.89Å; E149-T152 PolarHBondContact O-OG1 2.72Å; E149-C153 VanDerWaalsContact O-CB 3.24Å; E149-C153 WeakPolarHBondContact O-CB 3.45Å; E149-C153 PolarHBondContact O-N 3.26Å
150K68.2Low71.4Confident115 Ų115101.8 Ų101.850%0.554%0.536SS..Hα-helixtrans-67.8-39.2166.3-69-177.7-177.4169.90111.6P144 S146 V147 N154P144-K150 HydrophobicContact CB-CG 3.73Å; P144-K150 HydrophobicContact CG-CG 4.1Å; P144-K150 WeakPolarHBondContact O-CE 3.42Å; S146-K150 PolarHBondContact O-N 3.05Å; V147-K150 PolarHBondContact O-N 3.03Å; K150-N154 PolarHBondContact O-N 2.82Å; K150-N154 PolarHBondContact O-ND2 2.89Å
151Q77.4Confident72.8Confident110 Ų110102.2 Ų102.251%0.51453%0.528SS..Hα-helixtrans-63.6-54179.2-163.36816.500110.8V147 I148 C153 N154 D155V147-Q151 PolarHBondContact O-N 2.93Å; V147-Q151 VanDerWaalsContact O-N 3.07Å; I148-Q151 WeakPolarHBondContact O-CB 3.42Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.15Å; Q151-C153 VanDerWaalsContact C-N 3.28Å; Q151-C153 PolarHBondContact O-N 3.29Å; Q151-N154 WeakPolarHBondContact O-CB 3.18Å; Q151-N154 PolarHBondContact O-N 2.78Å; Q151-D155 PolarHBondContact O-N 3.02Å
152T80.4Confident74.1Confident73 Ų7396.8 Ų96.845%0.44851%0.505SS..Hα-helixtrans-62.3-33.5178.856.10000112.9I148 E149 D155 Q156I148-T152 PolarHBondContact O-N 3.17Å; I148-T152 PolarHBondContact O-OG1 3.4Å; E149-T152 PolarHBondContact O-OG1 2.72Å; T152-D155 PolarHBondContact O-N 3.12Å; T152-Q156 WeakPolarHBondContact O-CB 3.3Å; T152-Q156 WeakPolarHBondContact O-CG 3.15Å; T152-Q156 PolarHBondContact O-N 2.85Å
153C74.7Confident75.5Confident34 Ų3496.7 Ų96.723%0.2350%0.504CS..Hα-helixtrans-64-44.2172.3-172.10000112.2E149 Q151 Q156 I157E149-C153 VanDerWaalsContact O-CB 3.24Å; E149-C153 WeakPolarHBondContact O-CB 3.45Å; E149-C153 PolarHBondContact O-N 3.26Å; Q151-C153 VanDerWaalsContact C-N 3.28Å; Q151-C153 PolarHBondContact O-N 3.29Å; C153-Q156 PolarHBondContact O-N 2.96Å; C153-I157 WeakPolarHBondContact O-CB 3.15Å; C153-I157 WeakPolarHBondContact O-CD1 3.2Å; C153-I157 VanDerWaalsContact O-CG1 3.24Å; C153-I157 WeakPolarHBondContact O-CG1 3.4Å; C153-I157 PolarHBondContact O-N 3.19Å
154N80.5Confident76.9Confident97 Ų9793.9 Ų93.952%0.51950%0.495SS..Hα-helixtrans-63.8-41.5175.6-76-36.5000112.1K150 Q151 I157 R158K150-N154 PolarHBondContact O-N 2.82Å; K150-N154 PolarHBondContact O-ND2 2.89Å; Q151-N154 WeakPolarHBondContact O-CB 3.18Å; Q151-N154 PolarHBondContact O-N 2.78Å; N154-I157 WeakPolarHBondContact O-CB 3.22Å; N154-I157 PolarHBondContact O-N 3Å; N154-R158 PolarHBondContact O-N 3.05Å
155D82.8Confident78.2Confident65 Ų6595.3 Ų95.335%0.34851%0.508SS..Hα-helixtrans-66.8-40.9178.4-68.6-41.6000112Q151 T152 I157 R158 L159Q151-D155 PolarHBondContact O-N 3.02Å; T152-D155 PolarHBondContact O-N 3.12Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.19Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.5Å; D155-L159 PolarHBondContact O-N 3.01Å
156Q84.1Confident79.2Confident132 Ų13292.9 Ų92.962%0.61749%0.491SS*.Hα-helixtrans-61.9-39.7171.1-76-174.86.700112.4T152 C153 R158 L159 Q160T152-Q156 WeakPolarHBondContact O-CB 3.3Å; T152-Q156 WeakPolarHBondContact O-CG 3.15Å; T152-Q156 PolarHBondContact O-N 2.85Å; C153-Q156 PolarHBondContact O-N 2.96Å; Q156-R158 VanDerWaalsContact C-N 3.31Å; Q156-R158 PolarHBondContact O-N 3.44Å; Q156-L159 PolarHBondContact O-N 3.22Å; Q156-Q160 PolarHBondContact O-N 2.81Å
157I81Confident79.7Confident75 Ų7599.4 Ų99.439%0.38551%0.507SS..Hα-helixtrans-63.4-38.5174.4-73.4165.3000110.7C153 N154 D155 Q160 Q161C153-I157 WeakPolarHBondContact O-CB 3.15Å; C153-I157 WeakPolarHBondContact O-CD1 3.2Å; C153-I157 VanDerWaalsContact O-CG1 3.24Å; C153-I157 WeakPolarHBondContact O-CG1 3.4Å; C153-I157 PolarHBondContact O-N 3.19Å; N154-I157 WeakPolarHBondContact O-CB 3.22Å; N154-I157 PolarHBondContact O-N 3Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.19Å; I157-Q160 PolarHBondContact O-N 3.49Å; I157-Q161 VanDerWaalsContact CG2-NE2 3.3Å; I157-Q161 WeakPolarHBondContact O-CG 3.35Å; I157-Q161 PolarHBondContact O-N 3.13Å
158R83.2Confident80.1Confident145 Ų145100.8 Ų100.855%0.54750%0.503SS..Hα-helixtrans-66-47.2176.4-141.6-173.184.4-154.63.6111.4N154 D155 Q156 Q160 Q161 E162N154-R158 PolarHBondContact O-N 3.05Å; D155-R158 WeakPolarHBondContact O-CB 3.43Å; D155-R158 PolarHBondContact O-N 3.5Å; Q156-R158 VanDerWaalsContact C-N 3.31Å; Q156-R158 PolarHBondContact O-N 3.44Å; R158-Q160 VanDerWaalsContact C-N 3.33Å; R158-Q160 PolarHBondContact O-N 2.8Å; R158-Q161 WeakPolarHBondContact O-CB 3.4Å; R158-Q161 PolarHBondContact O-N 3.2Å; R158-E162 IonicContact CZ-OE1 3.13Å; R158-E162 IonicContact NE-OE1 2.75Å; R158-E162 PolarHBondContact NE-OE1 3.33Å; R158-E162 IonicContact NH2-OE1 2.72Å; R158-E162 PolarHBondContact NH2-OE1 3.06Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.2Å
159L87.3Confident80.4Confident100 Ų100103.9 Ų103.952%0.52451%0.506SS..Hα-helixtrans-59.8-38.2175.1-78.3159.8000112.8D155 Q156 T163D155-L159 PolarHBondContact O-N 3.01Å; Q156-L159 PolarHBondContact O-N 3.22Å; L159-T163 WeakPolarHBondContact O-CB 3.42Å; L159-T163 WeakPolarHBondContact O-CG2 3.39Å; L159-T163 PolarHBondContact O-N 2.9Å; L159-T163 PolarHBondContact O-OG1 3.09Å
160Q83.8Confident80.9Confident119 Ų119106 Ų10656%0.55652%0.516SS*.Hα-helixtrans-65.8-38.6171.6-78.6-165.61.900112.7Q156 I157 R158 T163 C164Q156-Q160 PolarHBondContact O-N 2.81Å; I157-Q160 PolarHBondContact O-N 3.49Å; R158-Q160 VanDerWaalsContact C-N 3.33Å; R158-Q160 PolarHBondContact O-N 2.8Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.3Å; Q160-T163 PolarHBondContact O-OG1 3.39Å; Q160-C164 VanDerWaalsContact O-CB 3.28Å; Q160-C164 WeakPolarHBondContact O-CB 3.45Å; Q160-C164 PolarHBondContact O-N 3.49Å; Q160-C164 PolarHBondContact O-SG 3.04Å; Q160-C164 VanDerWaalsContact O-SG 3.35Å
161Q85Confident81.2Confident124 Ų124103.8 Ų103.858%0.57952%0.515SS*.Hα-helixtrans-67.1-43.8176.1-71.8177.546.600111.9I157 R158 C164 A165I157-Q161 VanDerWaalsContact CG2-NE2 3.3Å; I157-Q161 WeakPolarHBondContact O-CG 3.35Å; I157-Q161 PolarHBondContact O-N 3.13Å; R158-Q161 WeakPolarHBondContact O-CB 3.4Å; R158-Q161 PolarHBondContact O-N 3.2Å; Q161-C164 PolarHBondContact O-N 3.37Å; Q161-A165 WeakPolarHBondContact O-CB 3.25Å; Q161-A165 PolarHBondContact O-N 2.87Å
162E87.5Confident80.8Confident85 Ų85107.5 Ų107.540%0.39753%0.525SS..Hα-helixtrans-62.4-46.8177.1-71170.6-16200111.4R158 A165 S166R158-E162 IonicContact CZ-OE1 3.13Å; R158-E162 IonicContact NE-OE1 2.75Å; R158-E162 PolarHBondContact NE-OE1 3.33Å; R158-E162 IonicContact NH2-OE1 2.72Å; R158-E162 PolarHBondContact NH2-OE1 3.06Å; R158-E162 WeakPolarHBondContact O-CG 3.43Å; R158-E162 PolarHBondContact O-N 3.2Å; E162-A165 PolarHBondContact O-N 3.14Å; E162-S166 PolarHBondContact O-N 3.27Å; E162-S166 PolarHBondContact O-OG 2.85Å
163T85.5Confident80.4Confident78 Ų78106.9 Ų106.948%0.47952%0.523SS..Hα-helixtrans-66.9-38.717751.20000113L159 Q160 S166 R167L159-T163 WeakPolarHBondContact O-CB 3.42Å; L159-T163 WeakPolarHBondContact O-CG2 3.39Å; L159-T163 PolarHBondContact O-N 2.9Å; L159-T163 PolarHBondContact O-OG1 3.09Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.3Å; Q160-T163 PolarHBondContact O-OG1 3.39Å; T163-S166 PolarHBondContact O-N 3.25Å; T163-R167 PolarHBondContact O-N 3.46Å
164C81.2Confident80.1Confident87 Ų87108.2 Ų108.259%0.58853%0.533SS*.Hα-helixtrans-64.1-39.1171.7-78.20000112.5Q160 Q161 K168Q160-C164 VanDerWaalsContact O-CB 3.28Å; Q160-C164 WeakPolarHBondContact O-CB 3.45Å; Q160-C164 PolarHBondContact O-N 3.49Å; Q160-C164 PolarHBondContact O-SG 3.04Å; Q160-C164 VanDerWaalsContact O-SG 3.35Å; Q161-C164 PolarHBondContact O-N 3.37Å; C164-K168 WeakPolarHBondContact O-CB 3.49Å; C164-K168 PolarHBondContact O-N 3.05Å
165A81.6Confident79.2Confident51 Ų51105.8 Ų105.842%0.42153%0.526SS..Hα-helixtrans-64-43.317500000111.5Q161 E162 K168 R169Q161-A165 WeakPolarHBondContact O-CB 3.25Å; Q161-A165 PolarHBondContact O-N 2.87Å; E162-A165 PolarHBondContact O-N 3.14Å; A165-K168 CarbonylContact O-C 3.51Å; A165-K168 PolarHBondContact O-N 2.92Å; A165-R169 PolarHBondContact O-N 3.4Å
166S83Confident78.2Confident65 Ų65108.5 Ų108.546%0.45554%0.54SS..Hα-helixtrans-64.4-46.1177.1-69.30000112.7E162 T163 K168 R169 Q170E162-S166 PolarHBondContact O-N 3.27Å; E162-S166 PolarHBondContact O-OG 2.85Å; T163-S166 PolarHBondContact O-N 3.25Å; S166-K168 PolarHBondContact O-N 3.35Å; S166-R169 PolarHBondContact O-N 2.97Å; S166-Q170 PolarHBondContact O-N 3.09Å
167R79.2Confident77.2Confident192 Ų192107 Ų10773%0.72554%0.536SS*.Hα-helixtrans-59.2-35.5172.3-71.1-172.4-173.3-167.95.2111.9T163 S171T163-R167 PolarHBondContact O-N 3.46Å; R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.35Å; R167-S171 PolarHBondContact O-OG 3.42Å
168K79Confident76.3Confident151 Ų151107 Ų10766%0.65754%0.543SS*.Hα-helixtrans-74.7-20.2175.2-161.3172.9-176.1-178.50114.1C164 A165 S166 S171 R172C164-K168 WeakPolarHBondContact O-CB 3.49Å; C164-K168 PolarHBondContact O-N 3.05Å; A165-K168 CarbonylContact O-C 3.51Å; A165-K168 PolarHBondContact O-N 2.92Å; S166-K168 PolarHBondContact O-N 3.35Å; K168-S171 WeakPolarHBondContact CA-OG 3.18Å; K168-R172 WeakPolarHBondContact O-CG 3.01Å
169R77.5Confident75.2Confident198 Ų198104.9 Ų104.975%0.74754%0.542SS*.Hα-helixtrans-78-50.2168.1-72.4179.8178.7-167-0.2110.6A165 S166 S171 R172 S173A165-R169 PolarHBondContact O-N 3.4Å; S166-R169 PolarHBondContact O-N 2.97Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-S171 PolarHBondContact O-N 3.16Å; R169-R172 WeakPolarHBondContact O-CA 3.32Å; R169-R172 PolarHBondContact O-N 2.77Å; R169-S173 PolarHBondContact O-N 2.95Å
170Q76.1Confident73.8Confident131 Ų131103.1 Ų103.161%0.61254%0.542SS*.Hα-helixtrans-57.5-41.1178.5-72.7174.7-31.900113.1S166 R172 S173 S174S166-Q170 PolarHBondContact O-N 3.09Å; Q170-R172 VanDerWaalsContact C-N 3.26Å; Q170-R172 PolarHBondContact O-N 3.06Å; Q170-S173 PolarHBondContact O-N 2.79Å; Q170-S173 PolarHBondContact O-OG 2.96Å; Q170-S174 PolarHBondContact O-N 3.07Å; Q170-S174 VanDerWaalsContact O-N 3.09Å; Q170-S174 PolarHBondContact O-OG 3.21Å
171S74Confident72.8Confident68 Ų68101.8 Ų101.848%0.47654%0.542SS..Hα-helixtrans-72.4-13.6175.548.20000114.5R167 K168 R169 A175R167-S171 WeakPolarHBondContact O-CB 3.42Å; R167-S171 PolarHBondContact O-N 3.35Å; R167-S171 PolarHBondContact O-OG 3.42Å; K168-S171 WeakPolarHBondContact CA-OG 3.18Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-S171 PolarHBondContact O-N 3.16Å; S171-A175 WeakPolarHBondContact O-CB 3.48Å
172R70.3Confident71.5Confident188 Ų188101.8 Ų101.871%0.70954%0.542SS*.Hα-helixtrans-89.2-33.8169.9-71.2-177.389-174.16.2112K168 R169 Q170 L176K168-R172 WeakPolarHBondContact O-CG 3.01Å; R169-R172 WeakPolarHBondContact O-CA 3.32Å; R169-R172 PolarHBondContact O-N 2.77Å; Q170-R172 VanDerWaalsContact C-N 3.26Å; Q170-R172 PolarHBondContact O-N 3.06Å; R172-L176 WeakPolarHBondContact O-CG 3.48Å; R172-L176 PolarHBondContact O-N 3.14Å
173S70.8Confident70.1Confident60 Ų60103.1 Ų103.142%0.4255%0.551SS.*Hα-helixtrans-68-50.4174.154.60000111.6R169 Q170 A175 L176 D177R169-S173 PolarHBondContact O-N 2.95Å; Q170-S173 PolarHBondContact O-N 2.79Å; Q170-S173 PolarHBondContact O-OG 2.96Å; S173-A175 PolarHBondContact O-N 3.4Å; S173-A175 VanDerWaalsContact O-N 3.16Å; S173-L176 WeakPolarHBondContact O-CA 3.48Å; S173-L176 WeakPolarHBondContact O-CB 3.48Å; S173-L176 PolarHBondContact O-N 3.46Å; S173-D177 PolarHBondContact O-N 2.85Å; S173-D177 VanDerWaalsContact O-OD2 3.13Å
174S68.1Low68.9Low62 Ų62102.9 Ų102.943%0.43455%0.553SS.*Hα-helixtrans-62.9-27.3179.560.20000113.6Q170 S178Q170-S174 PolarHBondContact O-N 3.07Å; Q170-S174 VanDerWaalsContact O-N 3.09Å; Q170-S174 PolarHBondContact O-OG 3.21Å; S174-S178 VanDerWaalsContact O-CB 3.28Å; S174-S178 WeakPolarHBondContact O-CB 3.46Å; S174-S178 PolarHBondContact O-N 3.12Å; S174-S178 PolarHBondContact O-OG 2.9Å
175A62.5Low68Low45 Ų45106 Ų10637%0.37255%0.554SS.*Hα-helixtrans-72.2-25.1171.500000113.5S171 S173 N179S171-A175 WeakPolarHBondContact O-CB 3.48Å; S173-A175 PolarHBondContact O-N 3.4Å; S173-A175 VanDerWaalsContact O-N 3.16Å; A175-N179 PolarHBondContact O-N 3.13Å; A175-N179 PolarHBondContact O-ND2 3.38Å
176L61.9Low67.1Low122 Ų122106 Ų10664%0.63955%0.55SS*.Hα-helixtrans-78.5-44.7172.2-68.4167.1000110.7R172 S173 S178 N179 A180R172-L176 WeakPolarHBondContact O-CG 3.48Å; R172-L176 PolarHBondContact O-N 3.14Å; S173-L176 WeakPolarHBondContact O-CA 3.48Å; S173-L176 WeakPolarHBondContact O-CB 3.48Å; S173-L176 PolarHBondContact O-N 3.46Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.45Å; L176-N179 PolarHBondContact O-N 2.73Å; L176-N179 VanDerWaalsContact O-N 3.11Å; L176-A180 PolarHBondContact O-N 3.34Å
177D63.6Low66.1Low102 Ų102110.1 Ų110.155%0.54556%0.56SS.*Hα-helixtrans-61.1-39.2177.7-58.3-43.4000112S173 N179 A180 T181S173-D177 PolarHBondContact O-N 2.85Å; S173-D177 VanDerWaalsContact O-OD2 3.13Å; D177-N179 VanDerWaalsContact C-N 3.34Å; D177-N179 PolarHBondContact O-N 2.98Å; D177-A180 PolarHBondContact O-N 3.23Å; D177-T181 PolarHBondContact O-N 2.9Å; D177-T181 PolarHBondContact O-OG1 3.39Å
178S60.7Low65.3Low74 Ų74109.2 Ų109.252%0.51756%0.557SS.*Hα-helixtrans-64.6-35.8175.7-59.30000112.5S174 L176 T181 H182S174-S178 VanDerWaalsContact O-CB 3.28Å; S174-S178 WeakPolarHBondContact O-CB 3.46Å; S174-S178 PolarHBondContact O-N 3.12Å; S174-S178 PolarHBondContact O-OG 2.9Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.45Å; S178-T181 PolarHBondContact O-OG1 3.3Å; S178-T181 VanDerWaalsContact O-OG1 3.13Å; S178-H182 WeakPolarHBondContact O-CB 3.24Å; S178-H182 PolarHBondContact O-N 3.05Å; S178-H182 VanDerWaalsContact O-N 3.14Å
179N60.6Low64.4Low100 Ų100108.9 Ų108.954%0.53555%0.551SS.*Hα-helixtrans-77-36.9176.6-78.3-44.9000111.9A175 L176 D177 H182 L183A175-N179 PolarHBondContact O-N 3.13Å; A175-N179 PolarHBondContact O-ND2 3.38Å; L176-N179 PolarHBondContact O-N 2.73Å; L176-N179 VanDerWaalsContact O-N 3.11Å; D177-N179 VanDerWaalsContact C-N 3.34Å; D177-N179 PolarHBondContact O-N 2.98Å; N179-H182 PolarHBondContact O-N 2.96Å; N179-L183 PolarHBondContact O-N 2.92Å
180A58.9Low63.6Low64 Ų64105.9 Ų105.953%0.52955%0.546SS..Hα-helixtrans-62.3-42.7175.500000112.1L176 D177 S184L176-A180 PolarHBondContact O-N 3.34Å; D177-A180 PolarHBondContact O-N 3.23Å; A180-S184 PolarHBondContact O-N 3.06Å; A180-S184 PolarHBondContact O-OG 3.2Å
181T60.9Low62.9Low90 Ų90102.7 Ų102.755%0.55254%0.537SS*.Hα-helixtrans-70.7-35.617645.90000113D177 S178 S184 Y185D177-T181 PolarHBondContact O-N 2.9Å; D177-T181 PolarHBondContact O-OG1 3.39Å; S178-T181 PolarHBondContact O-OG1 3.3Å; S178-T181 VanDerWaalsContact O-OG1 3.13Å; T181-S184 PolarHBondContact O-OG 3.25Å; T181-S184 VanDerWaalsContact O-OG 3.06Å; T181-Y185 PolarHBondContact O-N 2.75Å
182H57.7Low62.2Low125 Ų125104.2 Ų104.258%0.57954%0.537SS*.Hα-helixtrans-69-37175-162.2-82.2000112.7S178 N179 S186S178-H182 WeakPolarHBondContact O-CB 3.24Å; S178-H182 PolarHBondContact O-N 3.05Å; S178-H182 VanDerWaalsContact O-N 3.14Å; N179-H182 PolarHBondContact O-N 2.96Å; H182-S186 PolarHBondContact ND1-OG 2.92Å; H182-S186 VanDerWaalsContact O-CB 3.31Å; H182-S186 WeakPolarHBondContact O-CB 3.47Å; H182-S186 PolarHBondContact O-N 3.18Å; H182-S186 PolarHBondContact O-OG 3.49Å
183L59.1Low61.7Low112 Ų112101.9 Ų101.959%0.58653%0.534SS*.Hα-helixtrans-66.8-40.9176.8-106.872.2000112.7N179 S186 K187N179-L183 PolarHBondContact O-N 2.92Å; L183-S186 PolarHBondContact O-N 3.48Å; L183-K187 PolarHBondContact O-N 3.47Å
184S60.8Low61Low74 Ų74104.5 Ų104.552%0.51755%0.548SS..Hα-helixtrans-68.5-40.8178.760.90000112A180 T181 R188A180-S184 PolarHBondContact O-N 3.06Å; A180-S184 PolarHBondContact O-OG 3.2Å; T181-S184 PolarHBondContact O-OG 3.25Å; T181-S184 VanDerWaalsContact O-OG 3.06Å; S184-R188 PolarHBondContact O-N 3.44Å; S184-R188 VanDerWaalsContact O-N 3.14Å
185Y60.7Low60.6Low153 Ų153108.1 Ų108.160%0.656%0.561SS**Hα-helixtrans-65-40.1174.9-160.5-92.1000112.3T181 R188 R189T181-Y185 PolarHBondContact O-N 2.75Å; Y185-R188 PolarHBondContact O-N 2.97Å; Y185-R189 HydrophobicContact CE1-CG 4.4Å; Y185-R189 PolarHBondContact O-N 3.06Å
186S62.8Low60.4Low49 Ų49114.1 Ų114.134%0.34358%0.583SS.*Hα-helixtrans-64.5-44.3178.3-59.70000112.4H182 L183 R188 Q190H182-S186 PolarHBondContact ND1-OG 2.92Å; H182-S186 VanDerWaalsContact O-CB 3.31Å; H182-S186 WeakPolarHBondContact O-CB 3.47Å; H182-S186 PolarHBondContact O-N 3.18Å; H182-S186 PolarHBondContact O-OG 3.49Å; L183-S186 PolarHBondContact O-N 3.48Å; S186-R188 PolarHBondContact O-N 3.24Å; S186-Q190 PolarHBondContact O-N 2.99Å
187K63Low60.2Low153 Ų153115.4 Ų115.467%0.66559%0.591SS**Hα-helixtrans-64.1-38.7176-79.3-171.6172-173.70112.4L183 Q190 S191L183-K187 PolarHBondContact O-N 3.47Å; K187-Q190 PolarHBondContact O-N 3.49Å; K187-S191 PolarHBondContact O-N 3.19Å; K187-S191 PolarHBondContact O-OG 2.93Å
188R62.6Low59.3Low173 Ų173113.4 Ų113.465%0.65360%0.595SS**Hα-helixtrans-64.5-43.6-178.9-153.4179.5-160.1169.26.9112.5S184 Y185 S186 Q190 S191 E192S184-R188 PolarHBondContact O-N 3.44Å; S184-R188 VanDerWaalsContact O-N 3.14Å; Y185-R188 PolarHBondContact O-N 2.97Å; S186-R188 PolarHBondContact O-N 3.24Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; R188-Q190 PolarHBondContact O-N 3.29Å; R188-S191 PolarHBondContact O-N 3.03Å; R188-S191 PolarHBondContact O-OG 3.17Å; R188-E192 IonicContact NE-OE1 3.51Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.04Å
189R60.5Low58.8Low143 Ų143118 Ų11854%0.5461%0.613SS.*Hα-helixtrans-61.7-36.6175-86.5-167.3169.2-147.4-2.9113.4Y185 E192 Q193Y185-R189 HydrophobicContact CE1-CG 4.4Å; Y185-R189 PolarHBondContact O-N 3.06Å; R189-E192 PolarHBondContact O-N 3.15Å; R189-Q193 WeakPolarHBondContact O-CG 3.27Å; R189-Q193 PolarHBondContact O-N 3.32Å
190Q59.4Low58.4Low136 Ų136117.5 Ų117.564%0.63662%0.623SS**Hα-helixtrans-64.6-42.1176.1-75-174.9-38.600111.9S186 K187 R188 E192 T194S186-Q190 PolarHBondContact O-N 2.99Å; K187-Q190 PolarHBondContact O-N 3.49Å; R188-Q190 VanDerWaalsContact C-N 3.32Å; R188-Q190 PolarHBondContact O-N 3.29Å; Q190-E192 PolarHBondContact O-N 2.95Å; Q190-T194 PolarHBondContact O-N 3.48Å; Q190-T194 PolarHBondContact O-OG1 3.24Å; Q190-T194 VanDerWaalsContact O-OG1 3.08Å
191S61.8Low58.3Low63 Ų63123.1 Ų123.144%0.44164%0.643SS.*Hα-helixtrans-65-35.9173.542.60000113.6K187 R188 I195K187-S191 PolarHBondContact O-N 3.19Å; K187-S191 PolarHBondContact O-OG 2.93Å; R188-S191 PolarHBondContact O-N 3.03Å; R188-S191 PolarHBondContact O-OG 3.17Å; S191-I195 WeakPolarHBondContact O-CG1 3.06Å
192E59.9Low57.6Low101 Ų101121.6 Ų121.647%0.47265%0.646SS.*Hα-helixtrans-73.1-36.8-179-71.5163.1171.100112.1R188 R189 Q190 T194 I195R188-E192 IonicContact NE-OE1 3.51Å; R188-E192 WeakPolarHBondContact O-CG 3.35Å; R188-E192 PolarHBondContact O-N 3.04Å; R189-E192 PolarHBondContact O-N 3.15Å; Q190-E192 PolarHBondContact O-N 2.95Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.96Å; E192-I195 PolarHBondContact O-N 3.3Å
193Q58.4Low57.3Low139 Ų139124 Ų12465%0.6566%0.657SS**Hα-helixtrans-71.6-19.9176.7-71.6-172.6-67.300114.1R189 I195R189-Q193 WeakPolarHBondContact O-CG 3.27Å; R189-Q193 PolarHBondContact O-N 3.32Å; Q193-I195 VanDerWaalsContact C-N 3.34Å
194T56.9Low56.7Low115 Ų115124.4 Ų124.471%0.70666%0.659SS**Hα-helixtrans-75.5-22.1173.6-510000112.7Q190 E192Q190-T194 PolarHBondContact O-N 3.48Å; Q190-T194 PolarHBondContact O-OG1 3.24Å; Q190-T194 VanDerWaalsContact O-OG1 3.08Å; E192-T194 VanDerWaalsContact C-N 3.31Å; E192-T194 PolarHBondContact O-N 2.96Å
195I59.3Low56.3Low137 Ų137126.2 Ų126.270%0.70367%0.668SS**Hα-helixtrans-87.9-25.1-171.9-66.4169.7000112.9S191 E192 Q193S191-I195 WeakPolarHBondContact O-CG1 3.06Å; E192-I195 PolarHBondContact O-N 3.3Å; Q193-I195 VanDerWaalsContact C-N 3.34Å
196M59.4Low55.8Low171 Ų171124.6 Ų124.684%0.84267%0.674SS**SBendtrans-93.3-3-174.3-70.6-166.4170.700116.1
197N57.3Low55.1Low150 Ų150127.9 Ų127.980%0.80269%0.692SS**SBendtrans-104.36.5-176.5-76.5-6.1000114.8
198G45.3Very low54.5Low60 Ų60129 Ų12962%0.61970%0.699SS**  trans-110.576.6-177.300000113.7
199N49.5Very low53.8Low169 Ų169130.5 Ų130.590%0.90471%0.705SS**  trans-17286.2162-101.1-27.9000112.2
200A52.2Low53.5Low90 Ų90131.8 Ų131.874%0.74472%0.717SS**  trans-160.5131.9162.600000111.7
201L57.1Low53Low182 Ų182130.5 Ų130.595%0.95372%0.72SS**  trans63.5131.1163.1-61.2161.4000117.6
202G46.7Very low52.5Low59 Ų59135.3 Ų135.361%0.60874%0.74SS**  trans-141.6-173.8169.200000110.1
203H50.4Low52Low175 Ų175136 Ų13681%0.8176%0.756SS**  trans68.3140.7-173.2-66.6-85.7000114.3
204D46.6Very low51.6Low120 Ų120133.8 Ų133.864%0.64276%0.761SS**  cis-151.4152.15.5-118.9-24000115.3
205T51.8Low51.3Low113 Ų113138.1 Ų138.169%0.69377%0.771SS**  trans57.2146.8149.757.40000125.1
206T50.7Low51.5Low118 Ų118140.1 Ų140.172%0.72478%0.779SS**  trans71.889.3147.938.90000122.3
207T48.7Very low52Low118 Ų118137.1 Ų137.172%0.72477%0.773SS**  39.2117.3118.858.30000120.9
208H49Very low52.8Low176 Ų176135.5 Ų135.582%0.81577%0.77SS**  -162.4173.999.7-122.3-106.4000113.8
209R48Very low54.1Low205 Ų205137.9 Ų137.977%0.77478%0.775SS**  trans-75.8147.9-173.9-58.4170.3176.9167.6-2.8113.1
210H54.6Low54.5Low171 Ų171139.1 Ų139.179%0.79278%0.775SS**  169.7133.6107.8-97.1-80.1000112.6
211P48.9Very low55Low108 Ų108144.4 Ų144.470%0.70178%0.781SS**  trans-102.4153.6164.337.3-31000112.3
212L51.3Low54.7Low164 Ų164139.6 Ų139.686%0.85977%0.768SS**  trans165.9134.8137.4-94.4167.3000113.3
213S49.5Very low54.9Low117 Ų117145.2 Ų145.282%0.81878%0.778SS**  trans64.8160.715879.80000117.6
214A51.3Low55.1Low91 Ų91145.7 Ų145.775%0.75278%0.78SS**  cis-143.1167.3-100000111.7
215F49.2Very low55.4Low206 Ų206144.6 Ų144.690%0.90478%0.782SS**  trans-75.9151.8170.7-88.9-115.6000112.2
216M63.8Low55.6Low179 Ų179145.1 Ų145.188%0.88279%0.787SS**  trans-140.4123.6159.3-69.4-161.877.900112.1
217P71Confident56Low109 Ų109147 Ų14771%0.70879%0.791SS**PPolyproline II helixtrans-96.6160.3162.836.6-31.3000112
218P74.4Confident56.1Low115 Ų115148.3 Ų148.375%0.74779%0.794SS**PPolyproline II helixtrans-78.6155.4177.132.8-35.5000113.2
219P71.3Confident56.4Low111 Ų111145.6 Ų145.672%0.72179%0.792SS**PPolyproline II helixtrans-86.1150-175.234.1-35.9000114.4
220H57.7Low56.7Low194 Ų194143.8 Ų143.890%0.89880%0.796SS**PPolyproline II helixtrans-89.2141.1162.5-82-104.5000110.9
221F62.5Low56.5Low202 Ų202141.1 Ų141.189%0.88679%0.792SS**PPolyproline II helixtrans-96.7148.1165.8-91.9-92.8000110.9
222A52.1Low56.7Low81 Ų81143.7 Ų143.767%0.66980%0.8SS**  trans-148.9153.8-172.900000114.6
223H49.7Very low56.5Low176 Ų176141.2 Ų141.282%0.81580%0.796SS**  trans51.6115.9158.2-64-62.8000122.8
224H55.8Low56.5Low186 Ų186140.7 Ų140.786%0.86180%0.799SS**  trans-162.2152.4134.4-83.1-38.2000108.3
225S52.9Low56.3Low97 Ų97139.9 Ų139.968%0.67880%0.8SS**  cis-160.4138.5-26.7-840000108.4
226P55.6Low56.1Low123 Ų123141.1 Ų141.180%0.79980%0.8SS**  trans-98.6156.5-17937.4-34000113.8
227I58.6Low55.4Low157 Ų157139.6 Ų139.681%0.80580%0.801SS**  trans-166.6134.8153.1-108.1154.1000113.4
228N51.7Low54.1Low147 Ų147138 Ų13879%0.78680%0.796SS**  trans54.7139158.8-62.4-5.3000124.6
229P55.6Low52.6Low119 Ų119140.6 Ų140.677%0.77380%0.804SS**  trans-109.5179.8171.243.1-35.3000113.7
230L54Low51.3Low166 Ų166139 Ų13987%0.86981%0.807SS**  trans-154.3153153.1-110.1173.2000113.8
231T51Low50.6Low116 Ų116139.7 Ų139.771%0.71281%0.808SS**  trans-65.5152.4-168.850.30000118.5
232N51.4Low49.9Very low162 Ų162138.6 Ų138.687%0.86681%0.805SS**  -161.9168.8116.5-118.7-26.7000113.6
233S48.1Very low49.3Very low111 Ų111144.9 Ų144.978%0.77681%0.812SS**  trans-144.5-179.1-159.262.20000116.3
234A49.5Very low49Very low106 Ų106143.1 Ų143.188%0.87681%0.808SS**  trans75.8146.1177.300000117.4
235G46.5Very low48.4Very low74 Ų74138.3 Ų138.376%0.76380%0.801SS**  cis-165.1172.5-0.500000114.6
236Y44.8Very low47.9Very low233 Ų233138.2 Ų138.291%0.91481%0.806SS**  trans-80.3154.7177.7-82.2-119.2000112.8
237V49Very low47.3Very low147 Ų147138.6 Ų138.689%0.89181%0.806SS**  -154.3165.6113.3-165.80000108
238A43.9Very low46.5Very low74 Ų74135.8 Ų135.861%0.61280%0.8SS**  trans-125.8-164-177.200000113.7
239D43.2Very low45.9Very low171 Ų171137.4 Ų137.491%0.91481%0.805SS**  trans82.3149.8166.6-57.4-39.3000120.7
240G44.3Very low45.5Very low76 Ų76136.6 Ų136.678%0.78480%0.798SS**  trans132.677.7169.900000116.8
241F42.4Very low44.9Very low210 Ų210135.5 Ų135.592%0.92179%0.793SS**  trans-83.2133.9164.1-85.9-104.8000111.1
242H47.2Very low44.5Very low178 Ų178131 Ų13182%0.82477%0.765SS**  -160.5166.9123.5-134.5-95000113.9
243R40.1Very low44.1Very low214 Ų214131 Ų13181%0.80876%0.757SS**  trans-111.7176.7172.6-128.8-175.7-177.5-174.1-0.4110.5
244D43.9Very low43.8Very low138 Ų138129.6 Ų129.674%0.73875%0.752SS**  trans82.8158171.3-48.5-31.2000115.8
245A43.1Very low43.4Very low86 Ų86129.9 Ų129.971%0.71175%0.748SS**  cis-167.9149.2-37.200000109.1
246A42.7Very low43Very low95 Ų95132.5 Ų132.579%0.78574%0.744SS**  trans65.5168.4162.300000120.4
247T42.9Very low42.8Very low130 Ų130130.4 Ų130.480%0.79874%0.736SS**  trans85.1108.6158.9-350000119.9
248S40.8Very low42.5Very low98 Ų98131.4 Ų131.469%0.68573%0.73SS**  trans-62.7146.5164.4136.10000113.6
249M40.6Very low42.4Very low182 Ų182135 Ų13590%0.89774%0.735SS**  trans-164.2171.1137.1-109.4168.6-132.400112.4
250V45.6Very low42.6Very low101 Ų101133.2 Ų133.261%0.61273%0.732SS**  trans-132.4124.7-168.6-178.60000111.3N252 V439V250-N252 HydrophobicContact CG1-CB 4.17Å; V250-V439 HydrophobicContact CG1-CG1 4.32Å
251N42.9Very low42.5Very low144 Ų144134.6 Ų134.677%0.7773%0.726SS**  trans-150.9107172.6-106.7-38.1000110
252N42.6Very low42.6Very low21 Ų21135.8 Ų135.811%0.11272%0.724CS.*  cis105.680.25-133.827.4000115V250 V439 G440 A441V250-N252 HydrophobicContact CG1-CB 4.17Å; N252-V439 CarbonylContact C-O 3.53Å; N252-V439 WeakPolarHBondContact CA-O 3.24Å; N252-V439 HydrophobicContact CB-CG1 4.09Å; N252-V439 WeakPolarHBondContact OD1-CG1 3.16Å; N252-G440 PolarHBondContact ND2-O 3.2Å; N252-G440 VanDerWaalsContact OD1-CA 3.25Å; N252-G440 WeakPolarHBondContact OD1-CA 3.3Å; N252-G440 PolarHBondContact OD1-N 2.78Å; N252-G440 PolarHBondContact OD1-O 3.37Å; N252-A441 HydrophobicContact CB-CB 4.15Å; N252-A441 WeakPolarHBondContact ND2-CA 3.47Å; N252-A441 WeakPolarHBondContact O-CB 3.38Å
253F41.6Very low42.3Very low163 Ų163136.5 Ų136.572%0.71573%0.725SS**  trans-150146.7177.9-104.8-84.3000113.7F438 V439F253-F438 HydrophobicContact CB-CE1 4.28Å; F253-F438 WeakPolarHBondContact O-CD1 3.34Å; F253-V439 PolarHBondContact N-O 3.45Å
254A42.6Very low42.6Very low81 Ų81135.4 Ų135.467%0.66973%0.726SS**  trans-151.6153.7-178.700000113.6
255S40.2Very low42.6Very low111 Ų111134.6 Ų134.678%0.77673%0.729SS**  trans-176.4149.9166.9-93.80000108.9
256D38.6Very low42.4Very low130 Ų130140.7 Ų140.770%0.69574%0.739SS**  cis-164.1-178-18.6-130.9-59.8000112.7
257Y41.2Very low42.5Very low189 Ų189139.8 Ų139.874%0.74174%0.739SS**  trans87.4118.3154.9-80.9-61.2000124.3
258H42.1Very low42.6Very low167 Ų167138.2 Ų138.277%0.77374%0.739SS**  trans69.9112.1145.2-80.5-51.6000123.9
259Q41.5Very low42.6Very low151 Ų151139.3 Ų139.371%0.70674%0.742SS**  trans-78.2176.9144.2-59.3-177.9-8.600111.2
260P47.7Very low42.7Very low132 Ų132138.3 Ų138.386%0.85774%0.74SS**  -135.4165.6102.238.9-30.7000115.5
261T41.8Very low42.5Very low105 Ų105138.3 Ų138.364%0.64475%0.745SS**  trans-89.7162.4-177.752.10000113.6
262R45.2Very low42.6Very low236 Ų236137.6 Ų137.689%0.89175%0.75SS**  trans-140.1125.6155.3-76.5-165.3173.9-171.1-1.9111.5
263F40.3Very low42.4Very low193 Ų193140.9 Ų140.985%0.84678%0.78SS**  trans-86.5152162.4-90.1-106.4000110
264F46.5Very low42.5Very low190 Ų190138.9 Ų138.983%0.83379%0.786SS**  trans-144.3147.8147.7-99-84.4000109.1
265P44Very low42.5Very low121 Ų121144.2 Ų144.279%0.78680%0.795SS**  trans-99.7179.4-164.339.1-34.8000114.6
266K38.2Very low43Very low214 Ų214149.5 Ų149.593%0.9380%0.799SS**  trans-65.9145.9175.7-64.3173.1178.1174.80112
267G45.4Very low43.9Very low76 Ų76148.2 Ų148.278%0.78480%0.798SS**  trans-133.7156.3173.900000112.3
268A44.6Very low44Very low97 Ų97149.9 Ų149.980%0.80280%0.804SS**  trans-55.4150.9-164.900000118.1
269T41.2Very low44Very low121 Ų121151.6 Ų151.674%0.74281%0.81SS**  trans-12.5138.1149.751.80000118.4
270N43.4Very low44.3Very low161 Ų161149.4 Ų149.486%0.86181%0.811SS**  -160.9160.1115.3-100.5-27.6000112.7
271S41.4Very low44.1Very low102 Ų102151.2 Ų151.271%0.71381%0.814SS**  trans-77.8149.4179.253.40000112.9
272C44.1Very low44.3Very low128 Ų128150.9 Ų150.987%0.86582%0.821SS**  175.2156.3120.4-94.80000112.8
273A39.6Very low44.2Very low91 Ų91150.4 Ų150.475%0.75282%0.821SS**  trans-61.1149.3-169.500000116.5
274S43.5Very low44.6Very low120 Ų120152.4 Ų152.484%0.83982%0.823SS**  trans-155.2115.2144.7-82.20000110.7
275F41.2Very low45.1Very low194 Ų194149.1 Ų149.185%0.85182%0.821SS**  trans-80.3129.5174-111.1-112.9000110
276Y51.3Low45.5Very low221 Ų221148.8 Ų148.887%0.86782%0.821SS**  trans-147.8108.7158.1-95-72.7000110.2
277P57.1Low46.7Very low104 Ų104147.5 Ų147.568%0.67582%0.819SS**  trans-78.8155.1176.831.9-34000112.3
278Y44Very low47.7Very low223 Ų223149.4 Ų149.488%0.87582%0.818SS**  trans-62.4133.2172.1-101.4-122.8000111.8S280Y278-S280 PolarHBondContact O-N 3.28Å
279F42.6Very low48.5Very low204 Ų204150.8 Ų150.890%0.89582%0.818SS**  trans-82.7102.2160.7-89.5-84.4000110.3
280S46.6Very low49.1Very low104 Ų104149.8 Ų149.873%0.72782%0.822SS**PPolyproline II helixtrans-76.8128.8165.4-66.30000109.9Y278 A282Y278-S280 PolarHBondContact O-N 3.28Å; S280-A282 PolarHBondContact O-N 3.46Å
281N45.2Very low49.6Very low171 Ų171146.7 Ų146.791%0.91482%0.819SS**PPolyproline II helixtrans-64.9119.7172.8-89.8-33.2000110
282A44.2Very low50.3Low97 Ų97149.5 Ų149.580%0.80283%0.826SS**PPolyproline II helixtrans-68.1135.3-177.400000112.1S280S280-A282 PolarHBondContact O-N 3.46Å
283Y44.5Very low50.1Low226 Ų226146.7 Ų146.789%0.88682%0.819SS**PPolyproline II helixtrans-61.1132.2164.1-125.2-109.6000109
284R49Very low50.9Low235 Ų235152.1 Ų152.189%0.88783%0.826SS**PPolyproline II helixtrans-81.4124.7162.5-87.5-168.7171.7-157.7-3108.7
285P55.4Low51.1Low121 Ų121152.6 Ų152.679%0.78683%0.827SS**PPolyproline II helixtrans-70.4154.7164.531.6-33.6000110.2
286S53.5Low51.1Low114 Ų114149.5 Ų149.580%0.79783%0.829SS**PPolyproline II helixtrans-85.8141.7171.149.50000111.2
287E63.7Low51.1Low188 Ų188143.9 Ų143.988%0.87983%0.828SS**PPolyproline II helixtrans-64.3144.4171.9-70.9170.897.300111.9
288P66.4Low50.7Low116 Ų116144.6 Ų144.675%0.75383%0.832SS**PPolyproline II helixtrans-79.6148170.133.5-33.7000111.2
289P61.6Low51Low125 Ų125141 Ų14181%0.81283%0.834SS**PPolyproline II helixtrans-73.2137.4173.230.7-33.9000111.3A291P289-A291 PolarHBondContact O-N 3.07Å
290A53.6Low51.2Low100 Ų100135.4 Ų135.483%0.82683%0.825SS**PPolyproline II helixtrans-72.6118.8174.600000111.1
291A52.6Low51.3Low96 Ų96135.5 Ų135.579%0.79383%0.833SS**  trans-102.295.2179.900000111.4P289 G293P289-A291 PolarHBondContact O-N 3.07Å; A291-G293 PolarHBondContact O-N 3.49Å
292N56.2Low51.4Low162 Ų162131.3 Ų131.387%0.86682%0.821SS**  trans-84.793.9170.2-76.3-8.2000110.1
293G41.3Very low51.9Low69 Ų69134.6 Ų134.671%0.71182%0.824SS**  trans-84.6126.3168.400000111.3A291A291-G293 PolarHBondContact O-N 3.49Å
294F55.1Low52.3Low205 Ų205128.9 Ų128.990%0.89982%0.815SS**  trans-124.1138.1166.8-113.6-91.2000109.7
295C47.9Very low52.4Low129 Ų129124.9 Ų124.987%0.87281%0.81SS**  trans-80.8156.9-165.1-63.50000114.1
296C42.1Very low52.4Low130 Ų130124.4 Ų124.488%0.87881%0.807SS**  trans-84.4144.4-176.9-56.30000113.2
297A50.5Low52Low103 Ų103129.3 Ų129.385%0.85181%0.809SS**  trans-159.6121.4151.600000110
298P48.7Very low51.4Low118 Ų118129.8 Ų129.877%0.76681%0.809SS**  trans-121.7129.8-17737.5-25.6000115.5
299T51.2Low50.5Low148 Ų148130.6 Ų130.691%0.90881%0.806SS**  trans-170.5158.3158.8230000108.8
300A47Very low49.7Very low87 Ų87130 Ų13072%0.71980%0.804SS**  cis-175.6156.7-38.100000107.3
301A47.7Very low49.5Very low106 Ų106129.9 Ų129.988%0.87680%0.803SS**  trans66.6151.8174.300000117.5
302A47.4Very low49.2Very low82 Ų82134 Ų13468%0.67881%0.806SS**  cis-166130.2-22.200000113.2
303L54.1Low49.3Very low166 Ų166132 Ų13287%0.86980%0.801SS**  trans66.2173151.4-55.1174.8000118.1
304P53.1Low49.3Very low106 Ų106136.8 Ų136.869%0.68881%0.805SS**  -136.3153.8-61.140.3-26000117
305I52.1Low49.3Very low151 Ų151136.1 Ų136.177%0.77481%0.805SS**  23.3137.3128.6-63.1164.9000118.2
306P53.6Low49.1Very low111 Ų111138.5 Ų138.572%0.72180%0.803SS**  cis-145.5172.739234.4000121.1
307Y47.1Very low49.5Very low217 Ų217140.1 Ų140.185%0.85180%0.798SS**  trans1.2143.2153.3-61.8-83.4000123.6
308F49.3Very low49.5Very low198 Ų198142.5 Ų142.587%0.86879%0.792SS**  -155.7125.6124.3-127.8-87.9000116.5
309I49.1Very low49.3Very low134 Ų134145.9 Ų145.969%0.68780%0.797SS**  trans-4.8125.4161.8-54.4-179.5000122.8
310S43.6Very low49.4Very low112 Ų112147 Ų14778%0.78379%0.792SS**  trans21.6138.1130.8-162.30000123.9
311A49.4Very low49.1Very low97 Ų97146.7 Ų146.780%0.80280%0.797SS**  -171.2153.1123.300000113.8
312Q47.4Very low49.4Very low183 Ų183147.3 Ų147.386%0.85579%0.79SS**  trans-106.6151.3163.2-81.8-168.7-19.100110.9
313P56.7Low49.5Very low119 Ų119152 Ų15277%0.77380%0.798SS**  trans-97.2128.215534-26.5000111.5
314Q42.5Very low49.6Very low170 Ų170152.7 Ų152.779%0.79480%0.796SS**  trans-80.4144.6154.6-70.9-175.2-11.900109
315Q54.2Low49.6Very low192 Ų192155.8 Ų155.890%0.89780%0.801SS**  trans-131.4122.9155-78-167.1-25.800110.5
316Q43.6Very low49.5Very low178 Ų178152.8 Ų152.883%0.83280%0.8SS**  trans-82.2141.1161.9-58.8168.6-14.900107.7
317Q51.7Low49.6Very low165 Ų165153.2 Ų153.277%0.77180%0.8SS**  trans-152.2124.6145.4-124.5170.70.800114.5
318Q50Low50Low153 Ų153152 Ų15272%0.71580%0.799SS**  trans52.8119.6145.1-73.5162-9.300120.5
319Q44Very low50.5Low189 Ų189150.3 Ų150.388%0.88380%0.796SS**  trans-72136.4160.9-58.7163.9-6.800109.6
320H53.4Low51.1Low171 Ų171149.3 Ų149.379%0.79280%0.798SS**  trans-131.3117.4154.1-94-77.9000109.1
321G40.6Very low52.3Low80 Ų80153 Ų15383%0.82580%0.8SS**  trans-79126176.800000111
322V55.1Low53.1Low119 Ų119154.5 Ų154.572%0.72180%0.801SS**  trans-108.1111.9169-1800000108Q324V322-Q324 HydrophobicContact CG1-CG 4.2Å; V322-Q324 PolarHBondContact O-N 3.26Å
323Q49.4Very low53.2Low181 Ų181151.3 Ų151.385%0.84680%0.799SS**  trans-68.9127.2166.9-63.8179.95.100108.6
324Q56.1Low53.2Low180 Ų180151.3 Ų151.384%0.84180%0.802SS**  trans-118.1124.6161.5-69.6-166.7-8.700108.6V322V322-Q324 HydrophobicContact CG1-CG 4.2Å; V322-Q324 PolarHBondContact O-N 3.26Å
325Q53.2Low53.4Low171 Ų171151.8 Ų151.880%0.79981%0.805SS**  trans-76.5139.1-171.1-67.2169.3-18.200110.8V327Q325-V327 PolarHBondContact O-N 3.44Å; Q325-V327 VanDerWaalsContact O-N 3.12Å
326A50Low53.2Low89 Ų89150.3 Ų150.374%0.73681%0.808SS**  trans-75.599.317500000110.5F328A326-F328 PolarHBondContact O-N 3.43Å; A326-F328 VanDerWaalsContact O-N 3.11Å
327V55.5Low53.5Low119 Ų119145.3 Ų145.372%0.72181%0.805SS**  trans-74100.2173.5-178.80000109.5Q325 M329Q325-V327 PolarHBondContact O-N 3.44Å; Q325-V327 VanDerWaalsContact O-N 3.12Å; V327-M329 PolarHBondContact O-N 3.13Å
328F55.5Low53.2Low193 Ų193146.1 Ų146.185%0.84681%0.813SS**  trans-68.8120.4168.6-96.4-100.7000110.3A326A326-F328 PolarHBondContact O-N 3.43Å; A326-F328 VanDerWaalsContact O-N 3.11Å
329M59.1Low53.1Low162 Ų162142.2 Ų142.280%0.79881%0.813SS**  trans-93.3115.9169.2-73.3-94.790.600109.8V327V327-M329 PolarHBondContact O-N 3.13Å
330P62.6Low53.3Low112 Ų112139 Ų13973%0.72781%0.811SS**PPolyproline II helixtrans-76149.7171.831.4-33.5000111.3
331K68.9Low52.9Low190 Ų190134.3 Ų134.383%0.82681%0.81SS**PPolyproline II helixtrans-72.3140.4168.8-74.4176.3173.61770110.3
332P64.6Low53.2Low128 Ų128136.3 Ų136.383%0.83181%0.811SS**PPolyproline II helixtrans-74127.3155.131.2-30.4000109.4
333S50.2Low52.6Low116 Ų116135.8 Ų135.881%0.81181%0.813SS**  trans-105.5122163.3-66.70000107.8
334S56.2Low52.4Low119 Ų119137.8 Ų137.883%0.83282%0.819SS**  trans-115.2103.3175.757.50000110
335E46.9Very low51.8Low181 Ų181133.2 Ų133.285%0.84681%0.812SS**  trans-81.4-169163.1-64.4-17699.500110.4
336V51.2Low51.2Low160 Ų160131.1 Ų131.197%0.9782%0.816SS**  trans86.5118.3-175.6-172.90000114.2
337G48.5Very low50.9Low74 Ų74131.8 Ų131.876%0.76382%0.822SS**  trans161.444.6179.900000114.6
338I46.8Very low50.2Low182 Ų182134 Ų13493%0.93383%0.828SS**  trans-73.3132.2175.7-62.3173.9000109.3
339G46.4Very low49.5Very low70 Ų70130 Ų13072%0.72283%0.825SS**  trans-156.6108.4176.500000113
340S49.7Very low48.9Very low122 Ų122126 Ų12685%0.85382%0.817SS**  trans-65.5157.2157.144.80000110
341G43.6Very low48.1Very low73 Ų73130 Ų13075%0.75382%0.824SS**  cis123.8100.57.300000110.1
342S46.7Very low47.1Very low121 Ų121125.9 Ų125.985%0.84682%0.818SS**  trans-160.5138170.349.30000110.7
343S44.3Very low46Very low109 Ų109127 Ų12776%0.76282%0.817SS**  trans-102.4148.9160.8-550000108.2
344F44.8Very low46.1Very low222 Ų222129.5 Ų129.597%0.97482%0.82SS**  trans-156161.5143-94.5-62.2000109.4
345A42.5Very low45.6Very low84 Ų84128.8 Ų128.869%0.69482%0.815SS**  trans-134169.1-171.900000111.4
346S41.4Very low45.7Very low127 Ų127126 Ų12689%0.88882%0.815SS**  trans70.2115.3161.6-54.30000118.5
347A42.6Very low45.9Very low104 Ų104124.2 Ų124.286%0.8681%0.807SS**  trans-148156.5151.200000108.9
348L42.4Very low46.1Very low164 Ų164129 Ų12986%0.85981%0.814SS**  trans-139151.7-168.4-85.5169000112.9
349S40.2Very low46.1Very low111 Ų111123.7 Ų123.778%0.77680%0.796SS**  trans74157.5148.7-60.90000122
350A45.9Very low46.1Very low77 Ų77129.2 Ų129.264%0.63680%0.803SS**  trans68.7151.1172.400000115.8
351F46Very low45.9Very low197 Ų197129 Ų12986%0.86480%0.801SS**  cis-144.5169.79.9-64.4-96.1000108.7
352S47.4Very low45.8Very low102 Ų102130.9 Ų130.971%0.71380%0.799SS**  cis-171.3168.7-26-86.50000108.7
353D42Very low46Very low151 Ų151133.6 Ų133.681%0.80780%0.798SS**  trans-73.6153.2-172.5-50.9-95.7000116.7
354I52.8Low46Very low170 Ų170133.2 Ų133.287%0.87279%0.791SS**  trans-137.8134.9155.4-61.7-176.9000109
355S45.3Very low46.4Very low103 Ų103132.5 Ų132.572%0.7279%0.788SS**  trans-132.3147-179.8-71.90000111.9
356S50.3Low46.8Very low122 Ų122133.8 Ų133.885%0.85379%0.789SS**  trans-172.7125161.9-83.10000113.6
357P54.9Low47Very low123 Ų123133.7 Ų133.780%0.79979%0.788SS**  trans-133.4133.3169.837-21.8000115.4
358I52.5Low47.3Very low176 Ų176133.6 Ų133.690%0.90378%0.781SS**  trans-152.6159.6170.9-48179.1000108.9
359A45.8Very low47.6Very low69 Ų69130.7 Ų130.757%0.5778%0.781SS**  -171.6146-65.100000110.5
360H47.2Very low48.1Very low186 Ų186131.7 Ų131.786%0.86178%0.782SS**  trans63.1167.3171-54.9-64.8000116.4
361S45.4Very low48.2Very low117 Ų117133.3 Ų133.382%0.81879%0.786SS**  cis-145.4172.915.3-163.10000114.6
362T41.7Very low48.3Very low114 Ų114129.7 Ų129.770%0.69979%0.785SS**  trans-94.7158.8-171.4-30.10000113.6V364T362-V364 HydrophobicContact CG2-CG2 4.47Å
363Q49.8Very low48.1Very low178 Ų178129 Ų12983%0.83279%0.785SS**  trans-161.2163.1144.3-100.5-54.6-12.800111.2
364V46Very low48.2Very low100 Ų100127.1 Ų127.161%0.60678%0.783SS**  trans-142.7139.4-164.4176.30000113.7T362T362-V364 HydrophobicContact CG2-CG2 4.47Å
365F53Low47.6Very low208 Ų208126.8 Ų126.891%0.91278%0.783SS**  trans-156.1133161.1-85.7-68.8000113.9
366P49.4Very low47.6Very low110 Ų110126.5 Ų126.571%0.71479%0.787SS**  trans-135.1142.4167.438.3-23.7000115.9
367S47.1Very low47Very low125 Ų125128.7 Ų128.787%0.87479%0.789SS**  trans176.6155.9163.1-840000109.9
368S48.3Very low46.5Very low103 Ų103127.7 Ų127.772%0.7279%0.791SS**  cis-173.1132.6-13.451.70000111.8
369A48.2Very low46.1Very low102 Ų102129.9 Ų129.984%0.84379%0.79SS**  trans53.6171.8160.700000118.6
370V50.4Low45.9Very low133 Ų133133 Ų13381%0.80681%0.806SS**  cis-141.81545.5-178.40000108.5
371P49.1Very low45.7Very low111 Ų111133.3 Ų133.372%0.72181%0.805SS**  trans-107.3-173.2-177.941.2-36000116.2
372S47.6Very low45.6Very low121 Ų121131.6 Ų131.685%0.84681%0.805SS**  trans81.6148.2166.1-70.90000118
373A43.9Very low45.8Very low86 Ų86130.9 Ų130.971%0.71181%0.805SS**  cis-161-178.4-2.500000113.9
374C42.6Very low45.8Very low113 Ų113131.6 Ų131.676%0.76481%0.811SS**  trans65.7113.8149.9670000124.3
375N42.1Very low45.6Very low162 Ų162135.3 Ų135.387%0.86682%0.822SS**  28.3134.7126.4-54.21.1000122
376A43.7Very low45.2Very low98 Ų98132.2 Ų132.281%0.8182%0.815SS**  -176146.799.700000112.8
377D39.1Very low45.1Very low168 Ų168134.7 Ų134.790%0.89882%0.816SS**  trans-89148171.9-62.4-81.6000112.3
378A43.5Very low44.8Very low102 Ų102136.8 Ų136.884%0.84381%0.812SS**  trans-149.7132.4163.400000111.6
379Y43.6Very low44.7Very low222 Ų222141 Ų14187%0.87182%0.82SS**  trans-83.3153.8174.8-75.3-112.7000111.2
380C43Very low44.3Very low134 Ų134140.8 Ų140.891%0.90581%0.812SS**  trans-155.9141.9132.1-132.70000112.3
381F41.6Very low44Very low193 Ų193139.7 Ų139.785%0.84681%0.811SS**  trans-99.8148.5177.1-125-99.4000109.8
382G44.8Very low43.9Very low80 Ų80142.6 Ų142.683%0.82581%0.814SS**  trans-147.775.1-176.500000113.3
383S44.3Very low43.6Very low100 Ų100146.6 Ų146.670%0.69982%0.817SS**  trans-86.9132.2171.4-63.30000111.1
384M49.6Very low43.5Very low192 Ų192146 Ų14695%0.94682%0.819SS**  trans-147.4134140-80.9-145.7171.900111
385Q42.4Very low43.6Very low179 Ų179145.4 Ų145.484%0.83682%0.823SS**  trans-98.8150.6163.1-60.2160.7-52.400107.4
386N45.4Very low44.1Very low142 Ų142148.4 Ų148.476%0.75982%0.823SS**  trans-171.6161132.3-112.3-43.2000117.4
387H47.4Very low44.7Very low162 Ų162149.4 Ų149.475%0.7582%0.821SS**  trans59.3103.5158.6-66.3-54.3000122.2
388H39.7Very low44.8Very low169 Ų169146.9 Ų146.978%0.78282%0.817SS**  trans-54.7149.4136.9-101.4-94000112.3
389Q46.9Very low45.5Very low193 Ų193147.2 Ų147.290%0.90281%0.813SS**  trans-149.9161.5138.1-111.2175.637.800110.4
390S40.1Very low45.6Very low96 Ų96144.1 Ų144.167%0.67181%0.812SS**  trans-128.7174.8-165.6-59.20000112.4
391S43.7Very low46.5Very low111 Ų111143.8 Ų143.878%0.77681%0.805SS**  trans83.4147.4-176.183.30000113.6
392H47.2Very low47.2Very low171 Ų171140.3 Ų140.379%0.79280%0.802SS**  cis-138.3172.832.3-136.8-97.4000115.1
393F41.5Very low47.7Very low205 Ų205144.9 Ų144.990%0.89981%0.807SS**  trans-72.4148.7177.3-80.5-108.3000113.3
394G41.8Very low48.6Very low73 Ų73148.8 Ų148.875%0.75381%0.811SS**  trans-154.7120.616400000110.6
395A44.7Very low48.9Very low102 Ų102145.7 Ų145.784%0.84381%0.805SS**  trans-98.7146.7-178.400000111.5
396Y52.7Low49.6Very low224 Ų224148 Ų14888%0.87881%0.808SS**  trans-125.8141.7170-84.3-87.5000110.1
397P55.3Low50.1Low119 Ų119145.6 Ų145.677%0.77381%0.808SS**  trans-85.2156.7-172.134.4-36.3000113.3
398S42.1Very low50Low116 Ų116147.2 Ų147.281%0.81182%0.816SS**  trans-69.1148.6166.3-560000112
399S57.6Low50.8Low109 Ų109145.4 Ų145.476%0.76282%0.816SS**  trans-142.4115.5158.1500000110.2
400D46.4Very low51.1Low157 Ų157141.9 Ų141.984%0.8481%0.81SS**  trans-71.7138.5-178.8-60.9-90000112.2
401V61.8Low51.9Low126 Ų126145.4 Ų145.476%0.76482%0.82SS**  trans-133.6120.3170.3-178.60000108.9
402P55.4Low52.5Low121 Ų121145.4 Ų145.479%0.78682%0.818SS**PPolyproline II helixtrans-77.2128.5-174.329.5-34.3000112.3K404P402-K404 PolarHBondContact O-N 3.14Å
403L55.4Low52.2Low176 Ų176142.1 Ų142.192%0.92182%0.82SS**PPolyproline II helixtrans-72.9121.5172.1-75.5166.8000110.8
404K63.6Low52.4Low182 Ų182143.2 Ų143.279%0.79182%0.82SS**PPolyproline II helixtrans-73.9143.8167.4-79.8-177.9173.6178.70110.7P402P402-K404 PolarHBondContact O-N 3.14Å
405P56.5Low52.4Low127 Ų127142.9 Ų142.983%0.82582%0.817SS**PPolyproline II helixtrans-70133.4169.730.5-33.5000110
406Y56.5Low52.1Low227 Ų227144 Ų14489%0.8982%0.818SS**PPolyproline II helixtrans-93.2137.1166.4-97.1-88.4000110.1
407A55.1Low51.8Low91 Ų91141.9 Ų141.975%0.75282%0.821SS**PPolyproline II helixtrans-75.8165.6-174.300000113.1
408E45.3Very low51.3Low196 Ų196140.3 Ų140.392%0.91682%0.819SS**PPolyproline II helixtrans-61.6142.4179-59.1176.5104.500112.4
409V57.5Low51.4Low132 Ų132146.2 Ų146.280%0.882%0.823SS**  trans-122.8123.6168.8-179.90000108
410P52.4Low50.6Low118 Ų118148.3 Ų148.377%0.76683%0.825SS**PPolyproline II helixtrans-67.5142-175.5-21.333.2000113.4P412P410-P412 WeakPolarHBondContact O-CD 3.34Å
411L56.6Low50.6Low170 Ų170146.3 Ų146.389%0.8982%0.821SS**PPolyproline II helixtrans-71.7124.5168.9-73.4169.2000110.4A413L411-A413 PolarHBondContact O-N 3.38Å
412P56.6Low50.2Low112 Ų112147.7 Ų147.773%0.72782%0.823SS**PPolyproline II helixtrans-72.7124.1170.529.5-32.4000109.8P410 Y414P410-P412 WeakPolarHBondContact O-CD 3.34Å; P412-Y414 PolarHBondContact O-N 2.85Å
413A42.2Very low49.4Very low101 Ų101153.6 Ų153.684%0.83583%0.83SS**PPolyproline II helixtrans-70.2126.5169.400000109.8L411L411-A413 PolarHBondContact O-N 3.38Å
414Y46.2Very low48.8Very low228 Ų228154.8 Ų154.889%0.89483%0.827SS**  trans-123.1130.9166.4-114.1-93.1000110.6P412P412-Y414 PolarHBondContact O-N 2.85Å
415G41Very low47.8Very low67 Ų67155.5 Ų155.569%0.69183%0.833SS**  trans-90.1178.1-165.200000115.1L417G415-L417 PolarHBondContact O-N 3.31Å
416S39.3Very low47.2Very low124 Ų124154 Ų15487%0.86783%0.832SS**  trans-47.8124176.9-50.80000114.1
417L45.6Very low46.3Very low180 Ų180153.3 Ų153.394%0.94283%0.834SS**  trans-112.8147.7147-75.6177.1000109G415G415-L417 PolarHBondContact O-N 3.31Å
418A44.2Very low45.6Very low87 Ų87153.9 Ų153.972%0.71983%0.832SS**  trans-127.7157.7-16400000112.2
419R44.1Very low45.4Very low240 Ų240149.7 Ų149.791%0.90682%0.82SS**  trans63.1111.2169.5-61.4175.9171.5176.8-2.7116.3
420D42.4Very low44.6Very low152 Ų152151.6 Ų151.681%0.81382%0.82SS**  trans-140.4117141-114.4-37.9000109.9
421P45Very low43.9Very low115 Ų115151 Ų15175%0.74782%0.819SS**  trans-112.678.8-176.838.6-29.5000112.9
422I52.7Low43.1Very low156 Ų156152 Ų15280%0.882%0.817SS**  trans-100.893.3173.8-56.5-176.7000110.5
423W39.1Very low42.3Very low245 Ų245158 Ų15893%0.92883%0.825SS**  trans-146.182.4172-128.176.4000110.5
424K44Very low42.2Very low201 Ų201163.1 Ų163.187%0.87482%0.822SS**  trans-165.198.4174.2-117.6176-177.3-177.70112.6
425Q42.8Very low42Very low197 Ų197160.6 Ų160.692%0.92182%0.818SS**  trans168.8167.1142.5-95170-4.300109.9
426A43.4Very low42.3Very low96 Ų96162.1 Ų162.179%0.79382%0.816SS**  trans71.555.2-177.800000117.5
427F37.9Very low42.4Very low212 Ų212160.7 Ų160.793%0.9381%0.806SS**  trans-139.6103.5148.3-95-72000110.2
428S40.4Very low42.2Very low102 Ų102159.5 Ų159.571%0.71379%0.793SS**  trans-158.2153161.5-163.10000109
429T40.6Very low42.1Very low108 Ų108158.9 Ų158.966%0.66378%0.781SS**  trans19.8115.1146.753.50000116.6
430E39.7Very low41.9Very low172 Ų172149.4 Ų149.480%0.80476%0.758SS**  176.7175.151.7-100.9157.999.200108.2
431S38.7Very low41.9Very low106 Ų106145.6 Ų145.674%0.74175%0.747SS**  cis-153166.8-6.3-1280000110.5
432F38.5Very low41.9Very low192 Ų192149 Ų14984%0.84275%0.751SS**  trans-95.7125.4179.3-114.3-103.8000112.6
433R40.6Very low41.2Very low238 Ų238147.6 Ų147.690%0.89876%0.755SS**  trans175.7130.5156.6-95.1148.7-165.4-162.65.2106.4
434R41.3Very low41.3Very low208 Ų208140.3 Ų140.379%0.78575%0.746SS**  cis54.5103.441.9-66.2-164.3-177.9-163.94113.5
435H41Very low41.4Very low175 Ų175138.1 Ų138.181%0.8175%0.749SS**  -175.5171.6105.3-103.6-92.5000110.9
436P47Very low41.5Very low98 Ų98132.3 Ų132.364%0.63674%0.743SS**  trans-116.8174.6-161.942.3-34.5000116.9
437S41.4Very low41.5Very low95 Ų95133.1 Ų133.166%0.66475%0.75SS**  trans55.8111.1145.461.40000121.3
438F41Very low42.2Very low154 Ų154126.4 Ų126.468%0.67574%0.74SS**  trans-162.5141.2132.8-124.4-128.6000107.6F253F253-F438 HydrophobicContact CB-CE1 4.28Å; F253-F438 WeakPolarHBondContact O-CD1 3.34Å
439V43.6Very low42.5Very low74 Ų74128.8 Ų128.845%0.44875%0.745SS.*  cis94.487.911.1-168.10000113.4V250 N252 F253V250-V439 HydrophobicContact CG1-CG1 4.32Å; N252-V439 CarbonylContact C-O 3.53Å; N252-V439 WeakPolarHBondContact CA-O 3.24Å; N252-V439 HydrophobicContact CB-CG1 4.09Å; N252-V439 WeakPolarHBondContact OD1-CG1 3.16Å; F253-V439 PolarHBondContact N-O 3.45Å
440G39.5Very low43.3Very low41 Ų41135.1 Ų135.142%0.42376%0.758SS.*  trans-136.6159.4176.300000114.5N252N252-G440 PolarHBondContact ND2-O 3.2Å; N252-G440 VanDerWaalsContact OD1-CA 3.25Å; N252-G440 WeakPolarHBondContact OD1-CA 3.3Å; N252-G440 PolarHBondContact OD1-N 2.78Å; N252-G440 PolarHBondContact OD1-O 3.37Å
441A42.7Very low44.2Very low72 Ų72135.5 Ų135.560%0.59576%0.76SS**  trans-101.1175.2-150.200000120.6N252N252-A441 HydrophobicContact CB-CB 4.15Å; N252-A441 WeakPolarHBondContact ND2-CA 3.47Å; N252-A441 WeakPolarHBondContact O-CB 3.38Å
442F43.3Very low44.6Very low188 Ų188138.4 Ų138.483%0.82576%0.761SS**  trans-84.1164.5-175.6-86.9-106.9000114.9
443S38.6Very low45.5Very low126 Ų126138.3 Ų138.388%0.88176%0.763SS**  trans-147.4159.4137-80.30000109.7
444A42Very low45.7Very low91 Ų91132 Ų13275%0.75276%0.755SS**  trans-128.9158.2-161.600000113.6
445V45.7Very low46.1Very low155 Ų155127.1 Ų127.194%0.93976%0.759SS**  trans-164.9143.6145.8159.20000107.6
446G44.2Very low46.3Very low76 Ų76123.9 Ų123.978%0.78476%0.757SS**  trans131.3109.5165.500000114.2
447A43.2Very low46.6Very low113 Ų113128.5 Ų128.593%0.93477%0.772SS**  trans-112.1159.217400000111
448G52.5Low46.8Very low71 Ų71128.7 Ų128.773%0.73278%0.779SS**  trans-179.1123.1174.800000111.7
449D47.1Very low47.3Very low151 Ų151126 Ų12681%0.80779%0.786SS**  trans-83.4153.8-169.3-51.6-90.1000114.1
450Y58.1Low47.6Very low241 Ų241127.2 Ų127.295%0.94580%0.803SS**  trans-144.4133.8158.4-104.4-79.9000111.6
451H59Low48.1Very low180 Ų180129.3 Ų129.383%0.83383%0.825SS**  trans-79.1147.6-172.9-97.2-102.3000114.2
452H47.2Very low48.5Very low167 Ų167129.4 Ų129.477%0.77383%0.833SS**  trans-87.6144.8167.9-122.4-89.1000111.1
453H56.8Low48.8Very low190 Ų190131.5 Ų131.588%0.8884%0.837SS**  trans-136.9135.4156.7-103.3-76.4000109.8
454S43.7Very low49.7Very low105 Ų105134.3 Ų134.373%0.73484%0.839SS**  trans-148.9137.1178.850.20000109.3
455A50.4Low50.3Low106 Ų106139.9 Ų139.988%0.87684%0.84SS**  trans-124.6131.5177.700000110.1
456S45.8Very low50.6Low108 Ų108139.5 Ų139.576%0.75583%0.828SS**  trans-107.8154.9178.1-51.30000110.9
457M53.7Low51.1Low194 Ų194140.8 Ų140.896%0.95682%0.822SS**  trans-142.9157.5150.2-83.8-60.7165.400108.5
458A44Very low51.4Low99 Ų99139.9 Ų139.982%0.81882%0.815SS**  trans-145.5-162.7-164.500000113.1
459A52.4Low51.8Low99 Ų99143.8 Ų143.882%0.81882%0.824SS**  trans87.4149178.300000116.8
460A49.8Very low52.5Low98 Ų98142.6 Ų142.681%0.8182%0.822SS**  cis-168.2157.3-22.700000112
461G50.1Low52.2Low85 Ų85138.4 Ų138.488%0.87682%0.816SS**  trans80.2157.5165.700000116.9
462G51.3Low52.7Low74 Ų74135.6 Ų135.676%0.76381%0.814SS**  cis-174.1145.4-6.400000114.2
463Y49.3Very low53.4Low233 Ų233133.5 Ų133.591%0.91481%0.813SS**  trans-22142.8175.7-59.8-95000122.3
464M58.2Low53.5Low185 Ų185133.3 Ų133.391%0.91181%0.814SS**  -169.3-178.8121.7-107.2-57.7173.400114.8
465R53.1Low53.8Low208 Ų208135.5 Ų135.579%0.78581%0.813SS**  trans-147.7169.6-160.6-93.8-176.8173.1-150.111.1112.6
466Q51.7Low53.5Low146 Ų146136.4 Ų136.468%0.68281%0.808SS**  cis-138.1-73.43.5-149.2172.3-9600118.1
467P55.8Low53.8Low103 Ų103136 Ų13667%0.66981%0.811SS**  trans-133.7150.9-13540.7-23.4000120.4
468A50Low53.3Low94 Ų94134.1 Ų134.178%0.77781%0.805SS**  trans41.7129.6136.900000123.4
469V61.2Low53.9Low153 Ų153137.1 Ų137.193%0.92780%0.802SS**  trans-132.7154.3150179.30000107.6
470V61Low53.8Low126 Ų126140.9 Ų140.976%0.76480%0.802SS**  trans-117.2141.4-163.2176.50000112.7
471D51.2Low53.6Low154 Ų154141.3 Ų141.382%0.82480%0.799SS**PPolyproline II helixtrans-79.1138170.6-83.8-49.1000112.8
472P69.8Low53.8Low121 Ų121143.8 Ų143.879%0.78680%0.797SS**PPolyproline II helixtrans-94.2119.3164.433.4-28.4000111.9
473V60.9Low53.9Low122 Ų122145.8 Ų145.874%0.73979%0.794SS**PPolyproline II helixtrans-72.1145.3166.1171.30000110.1Q475V473-Q475 HydrophobicContact CG1-CB 4.28Å
474M59.7Low54.1Low186 Ų186141.8 Ų141.892%0.91679%0.788SS**  trans-131.3128.1166.4-121.8-67.2166.600109.3
475Q50.8Low54.1Low151 Ų151139.5 Ų139.571%0.70678%0.775SS**  trans-150.5153.9-167.5-143.7-178.2-200111.5V473V473-Q475 HydrophobicContact CG1-CB 4.28Å
476T44.2Very low54.4Low125 Ų125137.2 Ų137.277%0.76777%0.773SS**  trans54.5118.116550.40000119.7
477A50.8Low54.7Low99 Ų99142.2 Ų142.282%0.81880%0.803SS**  trans-159.789.5142.900000110.5
478D44.3Very low54.7Low156 Ų156144.2 Ų144.283%0.83481%0.81SS**  trans-102113.4167.2-81.6-64.5000109.5
479H56.6Low54.9Low162 Ų162146.8 Ų146.875%0.7581%0.812SS**  trans-142.9110.1163.8-89.6-87.8000107.5
480Q49.2Very low54.6Low177 Ų177146.5 Ų146.583%0.82781%0.806SS**  85.2138.385.1-82.6-173.6-18.100113.7
481S45.2Very low54.2Low107 Ų107147.7 Ų147.775%0.74881%0.808SS**  trans-120.1118.3-162.855.20000113.4
482V56.1Low54.4Low138 Ų138147.3 Ų147.384%0.83681%0.807SS**  trans-146.7115.8163.5-171.80000104.7
483V52Low53.4Low116 Ų116149.1 Ų149.170%0.70381%0.808SS**  cis81.7130.845.6-179.50000112
484L54.1Low52.8Low149 Ų149151 Ų15178%0.7881%0.813SS**  trans72.7158.4-173.4-53.1163.2000116.6
485Q57.6Low52.3Low136 Ų136148.3 Ų148.364%0.63681%0.806SS**  cis-167.2147.6-40.6-176154.5-7.500109.3
486Q59.5Low52.4Low161 Ų161148.1 Ų148.175%0.75281%0.814SS**  trans49.5109.4160.1-76.8159.1-20.200119.8
487L59.4Low53.2Low251 Ų251150.2 Ų150.2100%1.31482%0.818SS**  -143.70106.5-106.1168.9000109.6

Retrieved 487 of 487 residues in 79.7 ms (Link to these results)