X2JI07_DROME Loading...

RNA 3'-terminal phosphate cyclase

AlphaFold DB (O77264), UniProt , Accession X2JI07, Species DROME (Drosophila melanogaster, Fruit fly), Gene Rtca, Length 361 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
1M34.8Very low76.5Confident242 Ų242102.1 Ų102.1100%1.19253%0.527SS*.  0107.90-83-177.3-96.200105.6A3M1-A3 PolarHBondContact O-N 2.83Å
2D43.3Very low77.8Confident160 Ų16096.5 Ų96.586%0.85650%0.504SS*.  trans-54.1128.3173.3-79.7-39.4000107.7E4D2-E4 VanDerWaalsContact C-N 3.3Å; D2-E4 PolarHBondContact O-N 3.27Å
3A49.4Very low78.6Confident98 Ų9897.3 Ų97.381%0.8150%0.497SS*.  trans-55.2104.3165.800000105.8M1 K5M1-A3 PolarHBondContact O-N 2.83Å; A3-K5 PolarHBondContact O-N 2.8Å
4E58.4Low79.5Confident154 Ų15495.6 Ų95.672%0.7249%0.489SS*.  trans-48.8115175.1-85.6-172.5153.100106.6D2 M6D2-E4 VanDerWaalsContact C-N 3.3Å; D2-E4 PolarHBondContact O-N 3.27Å; E4-M6 PolarHBondContact O-N 2.9Å
5K81.5Confident80.1Confident203 Ų20390.3 Ų90.388%0.88346%0.462SS*.  trans-60.6100.9-171.5-173.9179.1-179.4179.80107.8A3 L7A3-K5 PolarHBondContact O-N 2.8Å; K5-L7 PolarHBondContact O-N 2.63Å
6M92.2Very high80.4Confident61 Ų6184.7 Ų84.730%0.343%0.433SS..PPolyproline II helixtrans-55.6132.1177.9-65.1-168-178.900108.7E4 E8 P34 R36 E79 T81E4-M6 PolarHBondContact O-N 2.9Å; M6-E8 PolarHBondContact O-N 2.9Å; M6-P34 HydrophobicContact CE-CB 4.49Å; M6-P34 HydrophobicContact CG-CB 3.83Å; M6-R36 HydrophobicContact CB-CB 4.3Å; M6-E79 HydrophobicContact CE-CB 4.41Å; M6-E79 HydrophobicContact SD-CB 3.96Å; M6-E79 HydrophobicContact SD-CG 4.16Å; M6-T81 WeakPolarHBondContact CE-OG1 3.23Å
7L96.4Very high80.9Confident61 Ų6179.8 Ų79.832%0.31941%0.409SS..EExtended strand (participates in β ladder)trans-66.2125.4173.6176.559.1000108.4K5 I9 P34 V35 R36 Q331 M332K5-L7 PolarHBondContact O-N 2.63Å; L7-I9 HydrophobicContact CD2-CD1 4.29Å; L7-I9 HydrophobicContact CG-CD1 4.24Å; L7-P34 PolarHBondContact N-O 3.18Å; L7-V35 WeakPolarHBondContact O-CA 3.31Å; L7-V35 VanDerWaalsContact O-CG2 3.3Å; L7-V35 WeakPolarHBondContact O-CG2 3.31Å; L7-R36 PolarHBondContact O-N 3.18Å; L7-Q331 HydrophobicContact CD2-CB 4.47Å; L7-Q331 WeakPolarHBondContact CD2-O 3.17Å; L7-M332 HydrophobicContact CD2-CG 4.42Å; L7-M332 HydrophobicContact CD2-SD 3.47Å; L7-M332 WeakPolarHBondContact CD2-SD 3.24Å; L7-M332 HydrophobicContact CG-SD 4.37Å
8E97.7Very high81.6Confident89 Ų8975.7 Ų75.742%0.41639%0.389SS..EExtended strand (participates in β ladder)trans-90.1129.7175.9-176.3167.7104.800111M6 R36 V38M6-E8 PolarHBondContact O-N 2.9Å; E8-R36 CarbonylContact C-O 3.57Å; E8-R36 VanDerWaalsContact CA-O 3.26Å; E8-R36 WeakPolarHBondContact CA-O 3.46Å; E8-R36 IonicContact OE2-CZ 3.78Å; E8-R36 IonicContact OE2-NE 3.15Å; E8-R36 PolarHBondContact OE2-NE 2.79Å; E8-R36 IonicContact OE2-NH2 2.9Å; E8-R36 PolarHBondContact OE2-NH2 2.98Å; E8-V38 HydrophobicContact CG-CG1 4.17Å; E8-V38 HydrophobicContact CG-CG2 3.96Å
9I97.6Very high82.4Confident1 Ų172.1 Ų72.11%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-115.8123.1174.1-60.2-64.2000109L7 G11 A20 A24 V35 R36 V37 V38 V328 Q331 M332L7-I9 HydrophobicContact CD2-CD1 4.29Å; L7-I9 HydrophobicContact CG-CD1 4.24Å; I9-G11 PolarHBondContact O-N 2.72Å; I9-A20 HydrophobicContact CG2-CB 4.26Å; I9-A24 HydrophobicContact CB-CB 4.39Å; I9-A24 HydrophobicContact CG1-CB 4.04Å; I9-A24 HydrophobicContact CG2-CB 4.28Å; I9-V35 HydrophobicContact CG1-CG2 3.79Å; I9-R36 PolarHBondContact N-O 3.44Å; I9-V37 HydrophobicContact CB-CG2 4.38Å; I9-V37 WeakPolarHBondContact O-CA 3.46Å; I9-V38 PolarHBondContact O-N 3.39Å; I9-V328 HydrophobicContact CG2-CG2 4.1Å; I9-Q331 HydrophobicContact CD1-CB 3.95Å; I9-M332 HydrophobicContact CD1-SD 4.18Å; I9-M332 HydrophobicContact CG1-SD 4.22Å
10D96.4Very high83.1Confident52 Ų5268.6 Ų68.628%0.27835%0.353SS..EExtended strand (participates in β ladder)trans-82107.7175.8-168.5-27.8000111S12 Y13 K39D10-S12 VanDerWaalsContact CG-OG 3.29Å; D10-S12 PolarHBondContact O-N 3.43Å; D10-S12 WeakPolarHBondContact OD1-CA 3.36Å; D10-S12 VanDerWaalsContact OD1-CB 3.26Å; D10-S12 WeakPolarHBondContact OD1-CB 3.42Å; D10-S12 PolarHBondContact OD1-N 2.88Å; D10-S12 PolarHBondContact OD1-OG 2.96Å; D10-S12 PolarHBondContact OD2-OG 3.09Å; D10-Y13 WeakPolarHBondContact O-CB 3.4Å; D10-Y13 PolarHBondContact O-N 2.97Å; D10-K39 IonicContact OD2-NZ 3.5Å; D10-K39 PolarHBondContact OD2-NZ 3.29Å
11G94.2Very high83.8Confident2 Ų265.4 Ų65.42%0.02134%0.337CS..THydrogen-bonded Turntrans-72.4-5.2178.200000115.4I9 G16 V38 K39I9-G11 PolarHBondContact O-N 2.72Å; G11-G16 WeakPolarHBondContact O-CA 3.4Å; G11-V38 WeakPolarHBondContact CA-O 3.14Å; G11-V38 PolarHBondContact N-O 3.5Å; G11-K39 CarbonylContact C-O 3.45Å
12S91.7Very high86.9Confident35 Ų3555 Ų5525%0.24528%0.284CS..THydrogen-bonded Turntrans-88-11.317472.40000113.4D10 L14 K39D10-S12 VanDerWaalsContact CG-OG 3.29Å; D10-S12 PolarHBondContact O-N 3.43Å; D10-S12 WeakPolarHBondContact OD1-CA 3.36Å; D10-S12 VanDerWaalsContact OD1-CB 3.26Å; D10-S12 WeakPolarHBondContact OD1-CB 3.42Å; D10-S12 PolarHBondContact OD1-N 2.88Å; D10-S12 PolarHBondContact OD1-OG 2.96Å; D10-S12 PolarHBondContact OD2-OG 3.09Å; S12-L14 PolarHBondContact O-N 2.99Å; S12-K39 PolarHBondContact N-O 3.38Å
13Y87.9Confident89.5Confident107 Ų10747.9 Ų47.942%0.4225%0.246SC..SBendtrans-60.7129.6-177.5-173.7-108.6000111.9D10 E15 G16 N327D10-Y13 WeakPolarHBondContact O-CB 3.4Å; D10-Y13 PolarHBondContact O-N 2.97Å; Y13-E15 PolarHBondContact O-N 2.97Å; Y13-G16 PolarHBondContact O-N 2.93Å; Y13-N327 HydrophobicContact CD1-CB 4.21Å; Y13-N327 HydrophobicContact CE1-CB 3.7Å
14L91.3Very high91.8Very high73 Ų7343.2 Ų43.238%0.38221%0.207SC..THydrogen-bonded Turntrans52.7-96.4178.5-62.2174.4000115.2S12 G16 R323S12-L14 PolarHBondContact O-N 2.99Å; L14-G16 PolarHBondContact O-N 2.94Å; L14-R323 HydrophobicContact CD1-CB 3.37Å; L14-R323 HydrophobicContact CD1-CG 4.48Å
15E88.9Confident93.7Very high17 Ų1735.9 Ų35.98%0.07917%0.173CC..THydrogen-bonded Turntrans-67.5-25.2-175.775.586.6-168.200112.2Y13 G17 G18 Q19 R44 N320 H321 T324Y13-E15 PolarHBondContact O-N 2.97Å; E15-G17 PolarHBondContact O-N 3.38Å; E15-G17 VanDerWaalsContact O-N 3.16Å; E15-G17 WeakPolarHBondContact OE1-CA 2.95Å; E15-G17 PolarHBondContact OE1-N 2.88Å; E15-G17 WeakPolarHBondContact OE2-CA 3.35Å; E15-G17 PolarHBondContact OE2-N 3.23Å; E15-G18 PolarHBondContact OE1-N 2.73Å; E15-Q19 HydrophobicContact CG-CB 4.1Å; E15-Q19 VanDerWaalsContact OE1-CB 3.32Å; E15-Q19 WeakPolarHBondContact OE1-CB 3.26Å; E15-Q19 PolarHBondContact OE1-N 3.5Å; E15-R44 IonicContact OE2-CZ 3.54Å; E15-R44 IonicContact OE2-NH2 2.79Å; E15-R44 PolarHBondContact OE2-NH2 2.86Å; E15-N320 HydrophobicContact CB-CB 3.95Å; E15-H321 IonicContact OE2-CD2 3.86Å; E15-H321 IonicContact OE2-NE2 3.8Å; E15-T324 HydrophobicContact CG-CG2 4.37Å
16G84.9Confident94.6Very high0 Ų026.3 Ų26.30%013%0.132CC..  trans58.629.6171.500000114.1G11 Y13 L14 R41 A42 S43G11-G16 WeakPolarHBondContact O-CA 3.4Å; Y13-G16 PolarHBondContact O-N 2.93Å; L14-G16 PolarHBondContact O-N 2.94Å; G16-R41 CarbonylContact O-C 3.57Å; G16-R41 VanDerWaalsContact O-CA 3.23Å; G16-R41 WeakPolarHBondContact O-CA 3.4Å; G16-A42 PolarHBondContact O-N 2.77Å; G16-S43 PolarHBondContact O-N 3.42Å; G16-S43 VanDerWaalsContact O-N 3.16Å
17G88.8Confident94.9Very high2 Ų223.4 Ų23.42%0.02112%0.117CC..SBendtrans-120-129.2-177.700000111.1E15 R41E15-G17 PolarHBondContact O-N 3.38Å; E15-G17 VanDerWaalsContact O-N 3.16Å; E15-G17 WeakPolarHBondContact OE1-CA 2.95Å; E15-G17 PolarHBondContact OE1-N 2.88Å; E15-G17 WeakPolarHBondContact OE2-CA 3.35Å; E15-G17 PolarHBondContact OE2-N 3.23Å; G17-R41 WeakPolarHBondContact O-CG 3.39Å; G17-R41 PolarHBondContact O-N 3.38Å
18G93.8Very high95Very high6 Ų620.5 Ų20.56%0.06210%0.102CC..SBendtrans-100-8.5-170.900000115.1E15 R22 H53E15-G18 PolarHBondContact OE1-N 2.73Å; G18-R22 WeakPolarHBondContact O-CG 3.41Å; G18-R22 PolarHBondContact O-N 3.33Å; G18-R22 VanDerWaalsContact O-N 3.12Å; G18-R22 PolarHBondContact O-NH1 2.98Å; G18-H53 WeakPolarHBondContact CA-NE2 3.46Å
19Q96Very high95Very high7 Ų716.4 Ų16.43%0.0338%0.083CC..Hα-helixtrans-65.6-48.8-170.8-168.866.916.200111.5E15 L21 R22 N23 D298 H321 T324 A325E15-Q19 HydrophobicContact CG-CB 4.1Å; E15-Q19 VanDerWaalsContact OE1-CB 3.32Å; E15-Q19 WeakPolarHBondContact OE1-CB 3.26Å; E15-Q19 PolarHBondContact OE1-N 3.5Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 2.82Å; Q19-R22 PolarHBondContact O-N 3.3Å; Q19-N23 WeakPolarHBondContact CG-OD1 3.3Å; Q19-N23 PolarHBondContact NE2-OD1 3.3Å; Q19-N23 PolarHBondContact O-N 2.79Å; Q19-N23 PolarHBondContact O-OD1 2.93Å; Q19-D298 PolarHBondContact NE2-OD2 3.19Å; Q19-D298 PolarHBondContact OE1-OD2 3.21Å; Q19-H321 HydrophobicContact CG-CB 4.45Å; Q19-T324 HydrophobicContact CB-CG2 4.18Å; Q19-T324 HydrophobicContact CG-CG2 4.41Å; Q19-A325 HydrophobicContact CG-CB 4.33Å
20A97.2Very high95.1Very high2 Ų216.8 Ų16.82%0.0179%0.085CC..Hα-helixtrans-58.1-45.6-178.600000112.2I9 A24 T324 V328I9-A20 HydrophobicContact CG2-CB 4.26Å; A20-A24 WeakPolarHBondContact O-CB 3.26Å; A20-A24 PolarHBondContact O-N 2.82Å; A20-T324 HydrophobicContact CB-CG2 3.79Å; A20-V328 HydrophobicContact CB-CG2 3.93Å
21L98Very high95.2Very high2 Ų215.8 Ų15.81%0.018%0.08CC..Hα-helixtrans-59.2-49.4176.2-179.972.3000111.8Q19 A24 L25 V37 I40 L49 H53Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 2.82Å; L21-A24 PolarHBondContact O-N 2.83Å; L21-L25 HydrophobicContact CD1-CD1 3.66Å; L21-L25 HydrophobicContact CD1-CG 4.06Å; L21-L25 HydrophobicContact CG-CD1 3.84Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 3.31Å; L21-V37 HydrophobicContact CB-CG1 4.39Å; L21-V37 HydrophobicContact CD1-CB 3.91Å; L21-V37 HydrophobicContact CD1-CG1 3.93Å; L21-V37 HydrophobicContact CD1-CG2 3.99Å; L21-I40 HydrophobicContact CD1-CD1 3.94Å; L21-I40 HydrophobicContact CD1-CG1 4.29Å; L21-I40 HydrophobicContact CD2-CG2 4.08Å; L21-L49 HydrophobicContact CD2-CD2 3.36Å; L21-H53 HydrophobicContact CD2-CB 3.76Å
22R98.4Very high95.3Very high22 Ų2217.9 Ų17.98%0.08310%0.101CC..Hα-helixtrans-59.5-51.2-179-70.8-171.4-68.7-88.62.3111.3G18 Q19 S26 H53 M106G18-R22 WeakPolarHBondContact O-CG 3.41Å; G18-R22 PolarHBondContact O-N 3.33Å; G18-R22 VanDerWaalsContact O-N 3.12Å; G18-R22 PolarHBondContact O-NH1 2.98Å; Q19-R22 PolarHBondContact O-N 3.3Å; R22-S26 PolarHBondContact O-N 3Å; R22-S26 VanDerWaalsContact O-N 3.12Å; R22-S26 PolarHBondContact O-OG 2.98Å; R22-S26 VanDerWaalsContact O-OG 3.07Å; R22-H53 PolarHBondContact NH1-NE2 2.94Å; R22-M106 HydrophobicContact CB-CG 3.81Å; R22-M106 HydrophobicContact CB-SD 4.48Å; R22-M106 HydrophobicContact CG-CG 3.53Å; R22-M106 HydrophobicContact CG-SD 3.73Å
23N98.5Very high95.6Very high11 Ų1120.8 Ų20.86%0.05911%0.11CC..Hα-helixtrans-65.4-43.4-179.2-70.3116.7000112.3Q19 S26 L27 V328Q19-N23 WeakPolarHBondContact CG-OD1 3.3Å; Q19-N23 PolarHBondContact NE2-OD1 3.3Å; Q19-N23 PolarHBondContact O-N 2.79Å; Q19-N23 PolarHBondContact O-OD1 2.93Å; N23-S26 PolarHBondContact O-N 2.87Å; N23-L27 VanDerWaalsContact O-CB 3.29Å; N23-L27 WeakPolarHBondContact O-CB 3.34Å; N23-L27 WeakPolarHBondContact O-CG 3.26Å; N23-L27 PolarHBondContact O-N 3.04Å; N23-V328 HydrophobicContact CB-CB 4.26Å; N23-V328 HydrophobicContact CB-CG1 3.77Å
24A98.6Very high96Very high0 Ų016.8 Ų16.80%010%0.097CC..Hα-helixtrans-62.6-45.2-178.200000111.7I9 A20 L21 S28 V35 V37 V328I9-A24 HydrophobicContact CB-CB 4.39Å; I9-A24 HydrophobicContact CG1-CB 4.04Å; I9-A24 HydrophobicContact CG2-CB 4.28Å; A20-A24 WeakPolarHBondContact O-CB 3.26Å; A20-A24 PolarHBondContact O-N 2.82Å; L21-A24 PolarHBondContact O-N 2.83Å; A24-S28 WeakPolarHBondContact O-CB 3.34Å; A24-S28 PolarHBondContact O-N 3.2Å; A24-V35 HydrophobicContact CB-CG2 4.34Å; A24-V37 HydrophobicContact CB-CG2 3.95Å; A24-V328 HydrophobicContact CB-CG1 3.94Å
25L98.7Very high96.4Very high0 Ų013.3 Ų13.30%08%0.078CC..Hα-helixtrans-68.1-44.1179.2-65.5174.9000112.1L21 S28 C29 V35 L57 L60 V78 F80 M106L21-L25 HydrophobicContact CD1-CD1 3.66Å; L21-L25 HydrophobicContact CD1-CG 4.06Å; L21-L25 HydrophobicContact CG-CD1 3.84Å; L21-L25 HydrophobicContact CG-CG 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 VanDerWaalsContact O-CG 3.25Å; L21-L25 WeakPolarHBondContact O-CG 3.28Å; L21-L25 PolarHBondContact O-N 3.31Å; L25-S28 WeakPolarHBondContact O-CB 3.43Å; L25-S28 PolarHBondContact O-N 3.38Å; L25-C29 PolarHBondContact O-N 2.97Å; L25-C29 PolarHBondContact O-SG 3.12Å; L25-V35 HydrophobicContact CD2-CG1 4.19Å; L25-L57 HydrophobicContact CD1-CB 4.33Å; L25-L57 HydrophobicContact CD1-CD1 3.71Å; L25-L57 HydrophobicContact CD2-CD1 4.09Å; L25-L60 HydrophobicContact CB-CD1 3.63Å; L25-V78 HydrophobicContact CD2-CG1 4.49Å; L25-F80 HydrophobicContact CD2-CB 3.58Å; L25-F80 HydrophobicContact CD2-CD1 4.15Å; L25-F80 HydrophobicContact CD2-CD2 3.95Å; L25-F80 HydrophobicContact CD2-CG 3.63Å; L25-M106 HydrophobicContact CB-CE 4.43Å; L25-M106 HydrophobicContact CD1-CE 3.74Å
26S98.8Very high96.8Very high2 Ų217 Ų171%0.0149%0.092CC..Hα-helixtrans-61.4-45.3176-61.40000111.7R22 N23 C29 I30 M106R22-S26 PolarHBondContact O-N 3Å; R22-S26 VanDerWaalsContact O-N 3.12Å; R22-S26 PolarHBondContact O-OG 2.98Å; R22-S26 VanDerWaalsContact O-OG 3.07Å; N23-S26 PolarHBondContact O-N 2.87Å; S26-C29 WeakPolarHBondContact O-CB 3.37Å; S26-C29 PolarHBondContact O-N 2.7Å; S26-I30 WeakPolarHBondContact O-CD1 3.19Å; S26-I30 VanDerWaalsContact O-CG1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.43Å; S26-I30 PolarHBondContact O-N 3.48Å; S26-I30 VanDerWaalsContact O-N 3.1Å; S26-M106 WeakPolarHBondContact OG-CA 3.36Å; S26-M106 PolarHBondContact OG-O 2.84Å
27L98.8Very high97.5Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-67.9-37.1177.4-75.1167.7000112.2N23 C29 I30 L31 I302 L306 A329 M332 T333N23-L27 VanDerWaalsContact O-CB 3.29Å; N23-L27 WeakPolarHBondContact O-CB 3.34Å; N23-L27 WeakPolarHBondContact O-CG 3.26Å; N23-L27 PolarHBondContact O-N 3.04Å; L27-C29 VanDerWaalsContact C-N 3.35Å; L27-I30 PolarHBondContact O-N 2.59Å; L27-L31 HydrophobicContact CB-CD1 4.41Å; L27-L31 VanDerWaalsContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3.19Å; L27-I302 HydrophobicContact CD2-CD1 4.09Å; L27-I302 HydrophobicContact CD2-CG1 3.81Å; L27-I302 HydrophobicContact CG-CD1 3.89Å; L27-I302 HydrophobicContact CG-CG1 4.04Å; L27-L306 HydrophobicContact CD2-CD1 4.29Å; L27-L306 HydrophobicContact CD2-CD2 4.14Å; L27-L306 HydrophobicContact CD2-CG 4.23Å; L27-A329 HydrophobicContact CD1-CB 4.32Å; L27-M332 HydrophobicContact CB-CB 3.96Å; L27-M332 HydrophobicContact CB-CE 4.14Å; L27-M332 HydrophobicContact CB-CG 4.07Å; L27-M332 HydrophobicContact CD1-CB 3.86Å; L27-M332 HydrophobicContact CD1-CG 4.05Å; L27-M332 HydrophobicContact CG-CB 4.47Å; L27-T333 HydrophobicContact CD2-CG2 3.88Å
28S98.7Very high97.9Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-56-51.7173.1170.50000110.1A24 L25 I30 L31 G32 K33 P82A24-S28 WeakPolarHBondContact O-CB 3.34Å; A24-S28 PolarHBondContact O-N 3.2Å; L25-S28 WeakPolarHBondContact O-CB 3.43Å; L25-S28 PolarHBondContact O-N 3.38Å; S28-I30 PolarHBondContact O-N 3.16Å; S28-L31 PolarHBondContact O-N 2.88Å; S28-G32 PolarHBondContact O-N 3.05Å; S28-K33 VanDerWaalsContact CB-O 3.32Å; S28-K33 WeakPolarHBondContact CB-O 3.17Å; S28-K33 PolarHBondContact O-N 2.78Å; S28-K33 VanDerWaalsContact O-N 3.16Å; S28-K33 PolarHBondContact OG-O 3.36Å; S28-P82 VanDerWaalsContact O-CG 3.3Å; S28-P82 WeakPolarHBondContact O-CG 3.42Å; S28-P82 WeakPolarHBondContact OG-CD 3.11Å; S28-P82 WeakPolarHBondContact OG-CG 3.33Å
29C98.7Very high98.1Very high3 Ų322.6 Ų22.62%0.0212%0.115CC..Hα-helixtrans-54.8-48.6176.7-66.80000112.8L25 S26 L27 T64 F80 V110L25-C29 PolarHBondContact O-N 2.97Å; L25-C29 PolarHBondContact O-SG 3.12Å; S26-C29 WeakPolarHBondContact O-CB 3.37Å; S26-C29 PolarHBondContact O-N 2.7Å; L27-C29 VanDerWaalsContact C-N 3.35Å; C29-T64 HydrophobicContact CB-CG2 3.71Å; C29-F80 WeakPolarHBondContact SG-CE1 3.34Å; C29-V110 HydrophobicContact CB-CB 4.34Å; C29-V110 HydrophobicContact CB-CG1 3.65Å; C29-V110 HydrophobicContact CB-CG2 3.68Å
30I98.6Very high98.1Very high9 Ų922.3 Ų22.35%0.04611%0.114CC..Hα-helixtrans-69.9-39.5-175.9-64.8162000111.4S26 L27 S28 P109 V110 F113 I302 L306 H356S26-I30 WeakPolarHBondContact O-CD1 3.19Å; S26-I30 VanDerWaalsContact O-CG1 3.27Å; S26-I30 WeakPolarHBondContact O-CG1 3.43Å; S26-I30 PolarHBondContact O-N 3.48Å; S26-I30 VanDerWaalsContact O-N 3.1Å; L27-I30 PolarHBondContact O-N 2.59Å; S28-I30 PolarHBondContact O-N 3.16Å; I30-P109 HydrophobicContact CD1-CB 3.93Å; I30-P109 WeakPolarHBondContact CD1-O 3.48Å; I30-V110 HydrophobicContact CD1-CG2 4.37Å; I30-V110 HydrophobicContact CG1-CB 4.46Å; I30-V110 HydrophobicContact CG1-CG2 4.17Å; I30-F113 HydrophobicContact CD1-CD2 4.27Å; I30-F113 HydrophobicContact CD1-CE2 4.42Å; I30-F113 HydrophobicContact CG1-CD2 4.11Å; I30-F113 HydrophobicContact CG2-CD2 3.9Å; I30-F113 HydrophobicContact CG2-CE2 4.12Å; I30-F113 HydrophobicContact CG2-CG 4.32Å; I30-I302 HydrophobicContact CD1-CD1 4.4Å; I30-L306 HydrophobicContact CD1-CD1 3.62Å; I30-L306 HydrophobicContact CG2-CD1 4.16Å; I30-L306 HydrophobicContact CG2-CD2 3.84Å; I30-H356 PolarHBondContact O-CE1 3.46Å; I30-H356 VanDerWaalsContact O-CE1 3.26Å; I30-H356 PolarHBondContact O-NE2 2.85Å
31L97.9Very high98Very high31 Ų3124 Ų2416%0.16212%0.12CC..Hα-helixtrans-87.1-9.4-175.6-59.5174.4000113.3L27 S28 K33 L306 M332 T333 L354L27-L31 HydrophobicContact CB-CD1 4.41Å; L27-L31 VanDerWaalsContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CB 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3.19Å; S28-L31 PolarHBondContact O-N 2.88Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 HydrophobicContact CB-CB 4.37Å; L31-K33 HydrophobicContact CB-CD 4.05Å; L31-K33 HydrophobicContact CB-CG 3.92Å; L31-K33 HydrophobicContact CD1-CD 4.3Å; L31-K33 PolarHBondContact O-N 3.2Å; L31-L306 HydrophobicContact CD2-CD2 4.31Å; L31-M332 HydrophobicContact CD1-CB 4.22Å; L31-M332 VanDerWaalsContact CD1-O 3.27Å; L31-M332 WeakPolarHBondContact CD1-O 3.29Å; L31-T333 HydrophobicContact CD1-CG2 4.03Å; L31-L354 HydrophobicContact CD2-CD2 3.62Å
32G97.2Very high97.7Very high46 Ų4626.2 Ų26.247%0.47414%0.139SC..THydrogen-bonded Turntrans63.433.1-173.300000112.7S28S28-G32 PolarHBondContact O-N 3.05Å
33K97.2Very high97.4Very high96 Ų9628.9 Ų28.942%0.41716%0.161SC..  trans-112123.5-174.5-69.3-176-175.9179.40111.4S28 L31 M332S28-K33 VanDerWaalsContact CB-O 3.32Å; S28-K33 WeakPolarHBondContact CB-O 3.17Å; S28-K33 PolarHBondContact O-N 2.78Å; S28-K33 VanDerWaalsContact O-N 3.16Å; S28-K33 PolarHBondContact OG-O 3.36Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 HydrophobicContact CB-CB 4.37Å; L31-K33 HydrophobicContact CB-CD 4.05Å; L31-K33 HydrophobicContact CB-CG 3.92Å; L31-K33 HydrophobicContact CD1-CD 4.3Å; L31-K33 PolarHBondContact O-N 3.2Å; K33-M332 PolarHBondContact NZ-O 3.16Å
34P98.1Very high96.9Very high23 Ų2332.3 Ų32.315%0.14917%0.173CC..  trans-58.1138.8172.3-23.633.8000112.4M6 L7 F80 T81M6-P34 HydrophobicContact CE-CB 4.49Å; M6-P34 HydrophobicContact CG-CB 3.83Å; L7-P34 PolarHBondContact N-O 3.18Å; P34-F80 WeakPolarHBondContact CA-O 3.11Å; P34-T81 HydrophobicContact CG-CG2 4.15Å
35V98.5Very high96.5Very high0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-136.9143-179.671.60000111.5L7 I9 A24 L25 V37 F80 M332L7-V35 WeakPolarHBondContact O-CA 3.31Å; L7-V35 VanDerWaalsContact O-CG2 3.3Å; L7-V35 WeakPolarHBondContact O-CG2 3.31Å; I9-V35 HydrophobicContact CG1-CG2 3.79Å; A24-V35 HydrophobicContact CB-CG2 4.34Å; L25-V35 HydrophobicContact CD2-CG1 4.19Å; V35-V37 HydrophobicContact CG2-CG2 4.33Å; V35-F80 HydrophobicContact CG1-CB 4.13Å; V35-F80 PolarHBondContact N-O 2.9Å; V35-F80 PolarHBondContact O-N 3.48Å; V35-M332 HydrophobicContact CB-CE 4.33Å; V35-M332 HydrophobicContact CG2-CE 4.3Å; V35-M332 HydrophobicContact CG2-SD 3.96Å
36R98.4Very high96.2Very high95 Ų9542.2 Ų42.236%0.35824%0.238SC..EExtended strand (participates in β ladder)trans-114.5118.2168.8-178.3167.480-178.60.1109.6M6 L7 E8 I9 V38 T77 V78 E79M6-R36 HydrophobicContact CB-CB 4.3Å; L7-R36 PolarHBondContact O-N 3.18Å; E8-R36 CarbonylContact C-O 3.57Å; E8-R36 VanDerWaalsContact CA-O 3.26Å; E8-R36 WeakPolarHBondContact CA-O 3.46Å; E8-R36 IonicContact OE2-CZ 3.78Å; E8-R36 IonicContact OE2-NE 3.15Å; E8-R36 PolarHBondContact OE2-NE 2.79Å; E8-R36 IonicContact OE2-NH2 2.9Å; E8-R36 PolarHBondContact OE2-NH2 2.98Å; I9-R36 PolarHBondContact N-O 3.44Å; R36-V38 HydrophobicContact CG-CG1 4Å; R36-T77 HydrophobicContact CG-CG2 4.13Å; R36-V78 CarbonylContact C-O 3.59Å; R36-V78 WeakPolarHBondContact CA-O 3.24Å; R36-E79 HydrophobicContact CB-CG 4.18Å; R36-E79 VanDerWaalsContact CD-OE1 3.31Å; R36-E79 WeakPolarHBondContact CD-OE1 3.32Å; R36-E79 HydrophobicContact CG-CG 3.8Å; R36-E79 IonicContact NH1-OE1 3.61Å
37V98.2Very high96Very high0 Ų045.2 Ų45.20%026%0.258CS..EExtended strand (participates in β ladder)trans-103.6118.6175.5-169.90000108.8I9 L21 A24 V35 I40 T77 V78I9-V37 HydrophobicContact CB-CG2 4.38Å; I9-V37 WeakPolarHBondContact O-CA 3.46Å; L21-V37 HydrophobicContact CB-CG1 4.39Å; L21-V37 HydrophobicContact CD1-CB 3.91Å; L21-V37 HydrophobicContact CD1-CG1 3.93Å; L21-V37 HydrophobicContact CD1-CG2 3.99Å; A24-V37 HydrophobicContact CB-CG2 3.95Å; V35-V37 HydrophobicContact CG2-CG2 4.33Å; V37-I40 HydrophobicContact CB-CG1 4.42Å; V37-I40 HydrophobicContact CG1-CG1 3.92Å; V37-T77 CarbonylContact O-C 3.56Å; V37-T77 VanDerWaalsContact O-CA 3.26Å; V37-T77 WeakPolarHBondContact O-CA 3.16Å; V37-V78 PolarHBondContact N-O 3.11Å; V37-V78 PolarHBondContact O-N 3.3Å
38V97.8Very high96Very high19 Ų1945.2 Ų45.212%0.11526%0.258CS..EExtended strand (participates in β ladder)trans-108.7164-179.2-60.80000111.1E8 I9 G11 R36 I40 S76 T77E8-V38 HydrophobicContact CG-CG1 4.17Å; E8-V38 HydrophobicContact CG-CG2 3.96Å; I9-V38 PolarHBondContact O-N 3.39Å; G11-V38 WeakPolarHBondContact CA-O 3.14Å; G11-V38 PolarHBondContact N-O 3.5Å; R36-V38 HydrophobicContact CG-CG1 4Å; V38-I40 PolarHBondContact O-N 3.36Å; V38-I40 VanDerWaalsContact O-N 3.16Å; V38-S76 CarbonylContact C-O 3.52Å; V38-T77 HydrophobicContact CG1-CG2 4.05Å
39K96.9Very high95.9Very high106 Ų10645.2 Ų45.246%0.46126%0.258SS..SBendtrans51.838.5177.5-54.5-177.6-163.3154.40113.3D10 G11 S12 R41 A42 S76D10-K39 IonicContact OD2-NZ 3.5Å; D10-K39 PolarHBondContact OD2-NZ 3.29Å; G11-K39 CarbonylContact C-O 3.45Å; S12-K39 PolarHBondContact N-O 3.38Å; K39-R41 PolarHBondContact O-N 2.56Å; K39-A42 HydrophobicContact CB-CB 4.09Å; K39-A42 WeakPolarHBondContact O-CB 3.32Å; K39-A42 PolarHBondContact O-N 2.8Å; K39-S76 PolarHBondContact N-O 2.95Å
40I97.2Very high95.8Very high1 Ų146.2 Ų46.21%0.00527%0.265CS..THydrogen-bonded Turntrans-55.2123.9-178.7-64.6168000109.3L21 V37 V38 A42 G48 L49 S76 V78L21-I40 HydrophobicContact CD1-CD1 3.94Å; L21-I40 HydrophobicContact CD1-CG1 4.29Å; L21-I40 HydrophobicContact CD2-CG2 4.08Å; V37-I40 HydrophobicContact CB-CG1 4.42Å; V37-I40 HydrophobicContact CG1-CG1 3.92Å; V38-I40 PolarHBondContact O-N 3.36Å; V38-I40 VanDerWaalsContact O-N 3.16Å; I40-A42 PolarHBondContact O-N 2.71Å; I40-G48 VanDerWaalsContact O-CA 3.31Å; I40-G48 WeakPolarHBondContact O-CA 3.46Å; I40-G48 PolarHBondContact O-N 3.2Å; I40-L49 HydrophobicContact CD1-CD2 4.08Å; I40-L49 HydrophobicContact CD1-CG 4.36Å; I40-L49 HydrophobicContact CG2-CD2 4.22Å; I40-S76 WeakPolarHBondContact CG1-O 3.06Å; I40-S76 PolarHBondContact N-O 3.46Å; I40-V78 HydrophobicContact CD1-CB 4.11Å; I40-V78 HydrophobicContact CD1-CG2 3.65Å
41R94.6Very high95.7Very high39 Ų3949.5 Ų49.515%0.14728%0.28CS..THydrogen-bonded Turntrans5729.2176.7-64.1179.163.1-108.9-4.9114.6G16 G17 K39 S43 R44 S46 P47 G48 H53G16-R41 CarbonylContact O-C 3.57Å; G16-R41 VanDerWaalsContact O-CA 3.23Å; G16-R41 WeakPolarHBondContact O-CA 3.4Å; G17-R41 WeakPolarHBondContact O-CG 3.39Å; G17-R41 PolarHBondContact O-N 3.38Å; K39-R41 PolarHBondContact O-N 2.56Å; R41-S43 PolarHBondContact O-N 3.36Å; R41-S43 VanDerWaalsContact O-N 3.13Å; R41-R44 HydrophobicContact CB-CB 4.3Å; R41-R44 HydrophobicContact CB-CG 4.08Å; R41-R44 WeakPolarHBondContact O-CB 3.47Å; R41-R44 PolarHBondContact O-N 3.01Å; R41-S46 PolarHBondContact NH1-O 3.41Å; R41-P47 WeakPolarHBondContact O-CA 3.48Å; R41-G48 VanDerWaalsContact CD-O 3.32Å; R41-G48 WeakPolarHBondContact CD-O 3.4Å; R41-G48 PolarHBondContact NH1-O 3.46Å; R41-H53 WeakPolarHBondContact CD-CE1 3.26Å
42A92.3Very high95.7Very high48 Ų4849.8 Ų49.840%0.39728%0.28SS..THydrogen-bonded Turntrans-58.5-26.5-175.600000114.5G16 K39 I40 R44G16-A42 PolarHBondContact O-N 2.77Å; K39-A42 HydrophobicContact CB-CB 4.09Å; K39-A42 WeakPolarHBondContact O-CB 3.32Å; K39-A42 PolarHBondContact O-N 2.8Å; I40-A42 PolarHBondContact O-N 2.71Å; A42-R44 VanDerWaalsContact C-N 3.32Å
43S90.6Very high95.7Very high78 Ų7847.7 Ų47.755%0.54526%0.258SS..THydrogen-bonded Turntrans-88.45.9178.5-53.40000113.6G16 R41G16-S43 PolarHBondContact O-N 3.42Å; G16-S43 VanDerWaalsContact O-N 3.16Å; R41-S43 PolarHBondContact O-N 3.36Å; R41-S43 VanDerWaalsContact O-N 3.13Å
44R89.8Confident95.7Very high83 Ų8344.2 Ų44.231%0.31324%0.244SC..SBendtrans-103.6152.1-179.3-56.4-59.5-177.8155.21.3111.1E15 R41 A42 S46 P47E15-R44 IonicContact OE2-CZ 3.54Å; E15-R44 IonicContact OE2-NH2 2.79Å; E15-R44 PolarHBondContact OE2-NH2 2.86Å; R41-R44 HydrophobicContact CB-CB 4.3Å; R41-R44 HydrophobicContact CB-CG 4.08Å; R41-R44 WeakPolarHBondContact O-CB 3.47Å; R41-R44 PolarHBondContact O-N 3.01Å; A42-R44 VanDerWaalsContact C-N 3.32Å; R44-S46 PolarHBondContact O-N 3.42Å; R44-S46 VanDerWaalsContact O-N 3.11Å; R44-P47 WeakPolarHBondContact O-CD 3.31Å; R44-P47 WeakPolarHBondContact O-CG 3.32Å
45P89.9Confident95.8Very high134 Ų13445 Ų4587%0.8725%0.246SC*.SBendtrans-57.7-28.9-178.4-27.435000115.3
46S92Very high95.8Very high73 Ų7345 Ų4551%0.5125%0.246SC..SBendtrans-120.490.6170.7-51.50000108.5R41 R44R41-S46 PolarHBondContact NH1-O 3.41Å; R44-S46 PolarHBondContact O-N 3.42Å; R44-S46 VanDerWaalsContact O-N 3.11Å
47P95.2Very high95.8Very high65 Ų6540.5 Ų40.542%0.42223%0.229SC..  trans-60.8164.1178-25.135.9000113.3R41 R44R41-P47 WeakPolarHBondContact O-CA 3.48Å; R44-P47 WeakPolarHBondContact O-CD 3.31Å; R44-P47 WeakPolarHBondContact O-CG 3.32Å
48G97.5Very high95.8Very high0 Ų042 Ų420%024%0.237CC..SBendtrans83.6-177.3-178.900000114.5I40 R41 S50 S75I40-G48 VanDerWaalsContact O-CA 3.31Å; I40-G48 WeakPolarHBondContact O-CA 3.46Å; I40-G48 PolarHBondContact O-N 3.2Å; R41-G48 VanDerWaalsContact CD-O 3.32Å; R41-G48 WeakPolarHBondContact CD-O 3.4Å; R41-G48 PolarHBondContact NH1-O 3.46Å; G48-S50 PolarHBondContact O-N 3.01Å; G48-S75 CarbonylContact C-O 3.51Å; G48-S75 WeakPolarHBondContact CA-O 3.27Å
49L97.9Very high95.9Very high0 Ų041.3 Ų41.30%023%0.233CC..  trans-56.1121.8-179.3-67.1178.9000111.4L21 I40 H53 L54 L57 G70 Y72 L73 L74 S75 V78L21-L49 HydrophobicContact CD2-CD2 3.36Å; I40-L49 HydrophobicContact CD1-CD2 4.08Å; I40-L49 HydrophobicContact CD1-CG 4.36Å; I40-L49 HydrophobicContact CG2-CD2 4.22Å; L49-H53 HydrophobicContact CB-CB 4.49Å; L49-H53 HydrophobicContact CD2-CB 3.69Å; L49-L54 HydrophobicContact CD1-CD1 4.41Å; L49-L57 HydrophobicContact CD1-CD2 3.84Å; L49-G70 WeakPolarHBondContact CD1-O 3.4Å; L49-Y72 WeakPolarHBondContact CD1-O 3.25Å; L49-L73 WeakPolarHBondContact O-CD1 3.4Å; L49-L74 PolarHBondContact O-N 3.11Å; L49-S75 PolarHBondContact N-O 3.41Å; L49-V78 HydrophobicContact CD1-CG2 3.78Å; L49-V78 HydrophobicContact CD2-CG2 4.22Å; L49-V78 HydrophobicContact CG-CG2 4.24Å
50S96.6Very high95.9Very high25 Ų2536.2 Ų36.218%0.17521%0.211CC..  trans-89.6169.416379.60000110.9G48 Q52 H53 L54G48-S50 PolarHBondContact O-N 3.01Å; S50-Q52 VanDerWaalsContact C-N 3.34Å; S50-Q52 PolarHBondContact O-N 3.49Å; S50-H53 PolarHBondContact N-ND1 3.36Å; S50-H53 WeakPolarHBondContact O-CA 3.39Å; S50-H53 WeakPolarHBondContact O-CB 3.46Å; S50-H53 PolarHBondContact O-N 2.92Å; S50-H53 PolarHBondContact OG-CE1 3.02Å; S50-H53 PolarHBondContact OG-ND1 2.93Å; S50-L54 PolarHBondContact O-N 2.9Å
51H96.7Very high96Very high78 Ų7840.2 Ų40.236%0.36123%0.226SC..Hα-helixtrans-47.4-49.5-176.7-69.8-81.9000114.1H53 L54 H55 A98H51-H53 VanDerWaalsContact C-N 3.28Å; H51-H53 PolarHBondContact O-N 3.46Å; H51-L54 PolarHBondContact O-N 3.25Å; H51-H55 WeakPolarHBondContact O-CB 3.48Å; H51-H55 PolarHBondContact O-CD2 2.82Å; H51-H55 PolarHBondContact O-N 3.41Å; H51-A98 HydrophobicContact CB-CB 3.83Å
52Q96.3Very high96.2Very high36 Ų3642 Ų4217%0.16824%0.238CC..Hα-helixtrans-62.6-34.6179.771.4-160.620.200113.1S50 G56 A98 L102S50-Q52 VanDerWaalsContact C-N 3.34Å; S50-Q52 PolarHBondContact O-N 3.49Å; Q52-G56 PolarHBondContact O-N 2.96Å; Q52-A98 HydrophobicContact CB-CB 3.93Å; Q52-L102 VanDerWaalsContact CD-CD1 3.49Å
53H97.5Very high96.5Very high2 Ų239.8 Ų39.81%0.00922%0.219CC..Hα-helixtrans-71.9-44177.8-54.5105.6000110.6G18 L21 R22 R41 L49 S50 H51 G56 L57G18-H53 WeakPolarHBondContact CA-NE2 3.46Å; L21-H53 HydrophobicContact CD2-CB 3.76Å; R22-H53 PolarHBondContact NH1-NE2 2.94Å; R41-H53 WeakPolarHBondContact CD-CE1 3.26Å; L49-H53 HydrophobicContact CB-CB 4.49Å; L49-H53 HydrophobicContact CD2-CB 3.69Å; S50-H53 PolarHBondContact N-ND1 3.36Å; S50-H53 WeakPolarHBondContact O-CA 3.39Å; S50-H53 WeakPolarHBondContact O-CB 3.46Å; S50-H53 PolarHBondContact O-N 2.92Å; S50-H53 PolarHBondContact OG-CE1 3.02Å; S50-H53 PolarHBondContact OG-ND1 2.93Å; H51-H53 VanDerWaalsContact C-N 3.28Å; H51-H53 PolarHBondContact O-N 3.46Å; H53-G56 PolarHBondContact O-N 3.44Å; H53-L57 WeakPolarHBondContact O-CB 3.27Å; H53-L57 PolarHBondContact O-N 2.93Å
54L98.5Very high96.9Very high24 Ų2436 Ų3613%0.12619%0.193CC..Hα-helixtrans-61.7-47.2177.417759.6000111.5L49 S50 H51 L57 N58 N71 L73L49-L54 HydrophobicContact CD1-CD1 4.41Å; S50-L54 PolarHBondContact O-N 2.9Å; H51-L54 PolarHBondContact O-N 3.25Å; L54-L57 PolarHBondContact O-N 3.39Å; L54-N58 WeakPolarHBondContact O-CB 3.36Å; L54-N58 PolarHBondContact O-N 3.35Å; L54-N58 PolarHBondContact O-ND2 2.96Å; L54-N71 VanDerWaalsContact CD1-C 3.41Å; L54-N71 HydrophobicContact CD1-CB 4.26Å; L54-N71 WeakPolarHBondContact CD1-O 3.17Å; L54-L73 HydrophobicContact CD2-CB 4.43Å
55H98.6Very high97.2Very high39 Ų3936.3 Ų36.318%0.18120%0.201CC..Hα-helixtrans-67.7-39.5178.5-72.1-65.4000112.4H51 L59 V92 E93 T94 I103H51-H55 WeakPolarHBondContact O-CB 3.48Å; H51-H55 PolarHBondContact O-CD2 2.82Å; H51-H55 PolarHBondContact O-N 3.41Å; H55-L59 VanDerWaalsContact O-CB 3.3Å; H55-L59 WeakPolarHBondContact O-CB 3.28Å; H55-L59 PolarHBondContact O-N 3.31Å; H55-V92 HydrophobicContact CB-CG1 3.86Å; H55-E93 PolarHBondContact CE1-O 2.86Å; H55-T94 HydrophobicContact CB-CG2 4.17Å; H55-T94 WeakPolarHBondContact NE2-CA 3.5Å; H55-T94 PolarHBondContact NE2-O 2.92Å; H55-I103 HydrophobicContact CB-CD1 3.91Å
56G98.6Very high97.6Very high0 Ų030.3 Ų30.30%016%0.163CC..Hα-helixtrans-64.1-41.5173.100000112.9Q52 H53 L59 L60Q52-G56 PolarHBondContact O-N 2.96Å; H53-G56 PolarHBondContact O-N 3.44Å; G56-L59 PolarHBondContact O-N 2.93Å; G56-L60 WeakPolarHBondContact O-CG 3.42Å; G56-L60 PolarHBondContact O-N 3.14Å
57L98.7Very high97.9Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-61.9-48.7175.3171.262.2000111.8L25 L49 H53 L54 L59 L60 R61 V68 N71 V78 F80L25-L57 HydrophobicContact CD1-CB 4.33Å; L25-L57 HydrophobicContact CD1-CD1 3.71Å; L25-L57 HydrophobicContact CD2-CD1 4.09Å; L49-L57 HydrophobicContact CD1-CD2 3.84Å; H53-L57 WeakPolarHBondContact O-CB 3.27Å; H53-L57 PolarHBondContact O-N 2.93Å; L54-L57 PolarHBondContact O-N 3.39Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.19Å; L57-L60 PolarHBondContact O-N 3.26Å; L57-R61 PolarHBondContact O-N 3.41Å; L57-V68 HydrophobicContact CD1-CG1 3.95Å; L57-V68 HydrophobicContact CD2-CG1 4.18Å; L57-V68 HydrophobicContact CG-CG1 4.23Å; L57-N71 HydrophobicContact CD2-CB 3.58Å; L57-N71 HydrophobicContact CG-CB 4.2Å; L57-V78 HydrophobicContact CD1-CG1 3.91Å; L57-V78 HydrophobicContact CD2-CG1 3.86Å; L57-V78 HydrophobicContact CD2-CG2 3.82Å; L57-F80 HydrophobicContact CD1-CD2 3.49Å; L57-F80 VanDerWaalsContact CD1-CD2 3.49Å; L57-F80 HydrophobicContact CD1-CE2 3.85Å
58N98.8Very high98.1Very high33 Ų3329.1 Ų29.118%0.17615%0.148CC..Hα-helixtrans-64.5-37177.2-71.6-26.4000111.6L54 R61 D62 N71L54-N58 WeakPolarHBondContact O-CB 3.36Å; L54-N58 PolarHBondContact O-N 3.35Å; L54-N58 PolarHBondContact O-ND2 2.96Å; N58-R61 WeakPolarHBondContact O-CB 3.49Å; N58-R61 PolarHBondContact O-N 3.1Å; N58-D62 PolarHBondContact O-N 3.27Å; N58-N71 PolarHBondContact OD1-ND2 3.35Å
59L98.8Very high98.1Very high3 Ų333.6 Ų33.62%0.01618%0.175CC..Hα-helixtrans-62.3-45.8173.1175.560.9000111.5H55 G56 L57 R61 D62 I63 Y90 V92 I103 A107 L120H55-L59 VanDerWaalsContact O-CB 3.3Å; H55-L59 WeakPolarHBondContact O-CB 3.28Å; H55-L59 PolarHBondContact O-N 3.31Å; G56-L59 PolarHBondContact O-N 2.93Å; L57-L59 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.19Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 3.4Å; L59-D62 PolarHBondContact O-N 2.92Å; L59-I63 HydrophobicContact CD1-CD1 3.83Å; L59-I63 HydrophobicContact CD1-CG1 4.07Å; L59-I63 HydrophobicContact CD2-CD1 4.38Å; L59-I63 HydrophobicContact CG-CD1 3.72Å; L59-I63 HydrophobicContact CG-CG1 4.38Å; L59-I63 WeakPolarHBondContact O-CB 3.43Å; L59-I63 VanDerWaalsContact O-CG1 3.28Å; L59-I63 WeakPolarHBondContact O-CG1 3.27Å; L59-I63 PolarHBondContact O-N 3.12Å; L59-Y90 HydrophobicContact CD1-CD1 4.17Å; L59-Y90 HydrophobicContact CD1-CG 3.92Å; L59-V92 HydrophobicContact CB-CG2 4.15Å; L59-V92 HydrophobicContact CD1-CG2 3.98Å; L59-V92 HydrophobicContact CD2-CG2 4.14Å; L59-V92 HydrophobicContact CG-CG2 4.31Å; L59-I103 HydrophobicContact CD2-CG2 3.72Å; L59-A107 HydrophobicContact CD2-CB 3.68Å; L59-A107 HydrophobicContact CG-CB 4.36Å; L59-L120 HydrophobicContact CD1-CD2 4.08Å; L59-L120 HydrophobicContact CD2-CD1 4.24Å; L59-L120 HydrophobicContact CD2-CD2 4.25Å
60L98.9Very high98.2Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-64.1-37177-72.4-174.3000112.4L25 G56 L57 D62 I63 T64 F80 M106 A107 V110L25-L60 HydrophobicContact CB-CD1 3.63Å; G56-L60 WeakPolarHBondContact O-CG 3.42Å; G56-L60 PolarHBondContact O-N 3.14Å; L57-L60 PolarHBondContact O-N 3.26Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-I63 HydrophobicContact CD2-CD1 4.39Å; L60-I63 PolarHBondContact O-N 3.05Å; L60-T64 PolarHBondContact O-N 3.37Å; L60-T64 PolarHBondContact O-OG1 2.76Å; L60-F80 HydrophobicContact CB-CE2 4.28Å; L60-F80 HydrophobicContact CB-CZ 4.02Å; L60-M106 HydrophobicContact CD1-CB 4.24Å; L60-M106 HydrophobicContact CD1-CE 3.76Å; L60-M106 HydrophobicContact CG-CE 4.45Å; L60-A107 HydrophobicContact CD2-CB 4.44Å; L60-V110 HydrophobicContact CD2-CB 4.27Å; L60-V110 HydrophobicContact CD2-CG2 3.74Å
61R98.7Very high98.2Very high85 Ų8535.2 Ų35.232%0.32119%0.185SC..Hα-helixtrans-55.6-50.5170.9178.4-161.967.7-170-1.8110.7L57 N58 L59 T64 N65 A66 V68 F80L57-R61 PolarHBondContact O-N 3.41Å; N58-R61 WeakPolarHBondContact O-CB 3.49Å; N58-R61 PolarHBondContact O-N 3.1Å; L59-R61 VanDerWaalsContact C-N 3.31Å; L59-R61 PolarHBondContact O-N 3.4Å; R61-T64 PolarHBondContact O-N 3Å; R61-N65 VanDerWaalsContact O-CA 3.28Å; R61-N65 WeakPolarHBondContact O-CA 3.47Å; R61-N65 PolarHBondContact O-N 3.35Å; R61-A66 HydrophobicContact CG-CB 4.36Å; R61-A66 VanDerWaalsContact CG-O 3.31Å; R61-A66 WeakPolarHBondContact CG-O 3.4Å; R61-A66 PolarHBondContact O-N 2.81Å; R61-V68 HydrophobicContact CB-CG2 3.83Å; R61-V68 HydrophobicContact CG-CG2 3.74Å; R61-F80 HydrophobicContact CB-CE2 4.3Å
62D98.7Very high98.3Very high77 Ų7738.4 Ų38.441%0.41219%0.194SC..Hα-helixtrans-68.2-38.7-177.1-61.6-12.7000111.4N58 L59 L60 T64 Y90N58-D62 PolarHBondContact O-N 3.27Å; L59-D62 PolarHBondContact O-N 2.92Å; L60-D62 VanDerWaalsContact C-N 3.33Å; D62-T64 VanDerWaalsContact C-N 3.29Å; D62-T64 PolarHBondContact O-N 3.49Å; D62-Y90 HydrophobicContact CB-CD1 4.41Å; D62-Y90 HydrophobicContact CB-CE1 4.36Å
63I98.8Very high98.4Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-62.9-35.1175.6-71.5167.8000111.8L59 L60 I85 L86 Y90 A107 V110 L111L59-I63 HydrophobicContact CD1-CD1 3.83Å; L59-I63 HydrophobicContact CD1-CG1 4.07Å; L59-I63 HydrophobicContact CD2-CD1 4.38Å; L59-I63 HydrophobicContact CG-CD1 3.72Å; L59-I63 HydrophobicContact CG-CG1 4.38Å; L59-I63 WeakPolarHBondContact O-CB 3.43Å; L59-I63 VanDerWaalsContact O-CG1 3.28Å; L59-I63 WeakPolarHBondContact O-CG1 3.27Å; L59-I63 PolarHBondContact O-N 3.12Å; L60-I63 HydrophobicContact CD2-CD1 4.39Å; L60-I63 PolarHBondContact O-N 3.05Å; I63-I85 HydrophobicContact CG2-CG2 4.03Å; I63-L86 WeakPolarHBondContact O-CB 3.34Å; I63-L86 PolarHBondContact O-N 2.97Å; I63-Y90 HydrophobicContact CG1-CD1 4.21Å; I63-Y90 HydrophobicContact CG1-CD2 4.08Å; I63-Y90 HydrophobicContact CG1-CE1 3.89Å; I63-Y90 HydrophobicContact CG1-CE2 3.74Å; I63-Y90 HydrophobicContact CG1-CG 4.3Å; I63-A107 HydrophobicContact CD1-CB 3.9Å; I63-V110 HydrophobicContact CG2-CG1 3.89Å; I63-L111 HydrophobicContact CD1-CD1 4.38Å; I63-L111 HydrophobicContact CD1-CD2 4Å; I63-L111 HydrophobicContact CD1-CG 4.16Å; I63-L111 HydrophobicContact CG1-CD2 4.19Å; I63-L111 HydrophobicContact CG2-CD2 3.84Å
64T98.3Very high98.4Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-112.16.6-172.158.20000114.7C29 L60 R61 D62 A66 R83 T84 I85 V110C29-T64 HydrophobicContact CB-CG2 3.71Å; L60-T64 PolarHBondContact O-N 3.37Å; L60-T64 PolarHBondContact O-OG1 2.76Å; R61-T64 PolarHBondContact O-N 3Å; D62-T64 VanDerWaalsContact C-N 3.29Å; D62-T64 PolarHBondContact O-N 3.49Å; T64-A66 PolarHBondContact O-N 3.15Å; T64-R83 WeakPolarHBondContact O-CA 3.5Å; T64-R83 WeakPolarHBondContact O-CB 3.3Å; T64-R83 PolarHBondContact O-N 3.01Å; T64-T84 CarbonylContact C-O 3.6Å; T64-T84 VanDerWaalsContact CA-O 3.27Å; T64-T84 WeakPolarHBondContact CA-O 3.06Å; T64-T84 PolarHBondContact O-N 2.89Å; T64-I85 HydrophobicContact CG2-CG1 4Å; T64-V110 HydrophobicContact CG2-CG1 4.13Å
65N97Very high98.4Very high89 Ų8944 Ų4448%0.47623%0.225SC..THydrogen-bonded Turntrans45.543.3-169.9-168.429.8000112.3R61 R83 L86R61-N65 VanDerWaalsContact O-CA 3.28Å; R61-N65 WeakPolarHBondContact O-CA 3.47Å; R61-N65 PolarHBondContact O-N 3.35Å; N65-R83 PolarHBondContact ND2-NH1 3.34Å; N65-R83 WeakPolarHBondContact O-CD 3.09Å; N65-R83 WeakPolarHBondContact O-CG 3.23Å; N65-R83 PolarHBondContact O-NE 3.13Å; N65-L86 HydrophobicContact CB-CD1 4.34Å
66A98.4Very high98.3Very high8 Ų845.2 Ų45.27%0.06624%0.238CC..  trans-76.8152.4-17200000112.7R61 T64 V68 F80 T81R61-A66 HydrophobicContact CG-CB 4.36Å; R61-A66 VanDerWaalsContact CG-O 3.31Å; R61-A66 WeakPolarHBondContact CG-O 3.4Å; R61-A66 PolarHBondContact O-N 2.81Å; T64-A66 PolarHBondContact O-N 3.15Å; A66-V68 HydrophobicContact CB-CG2 4.1Å; A66-F80 HydrophobicContact CB-CD1 4.5Å; A66-F80 HydrophobicContact CB-CD2 4.36Å; A66-F80 HydrophobicContact CB-CE1 3.88Å; A66-F80 HydrophobicContact CB-CE2 3.73Å; A66-F80 HydrophobicContact CB-CZ 3.44Å; A66-F80 VanDerWaalsContact CB-CZ 3.44Å; A66-T81 CarbonylContact C-O 3.58Å; A66-T81 WeakPolarHBondContact CA-O 3.47Å; A66-T81 VanDerWaalsContact CB-O 3.26Å; A66-T81 WeakPolarHBondContact CB-O 3.29Å
67D98.4Very high98.3Very high86 Ų8647.7 Ų47.746%0.4625%0.253SS..EExtended strand (participates in β ladder)trans-86.2131.8161.1-59.8-56.5000109T81 R83D67-T81 PolarHBondContact N-O 3.24Å; D67-T81 PolarHBondContact O-N 2.85Å; D67-R83 IonicContact OD1-CZ 3.37Å; D67-R83 IonicContact OD1-NH2 2.75Å; D67-R83 PolarHBondContact OD1-NH2 3.18Å; D67-R83 IonicContact OD2-CZ 2.63Å; D67-R83 IonicContact OD2-NE 2.97Å; D67-R83 IonicContact OD2-NH2 3.87Å; D67-R83 PolarHBondContact OD2-NH2 3.16Å
68V98.5Very high98.3Very high27 Ų2747.7 Ų47.716%0.16425%0.253CS..EExtended strand (participates in β ladder)trans-136.3132.1-174.5-1720000111L57 R61 A66 N71 V78 E79 F80L57-V68 HydrophobicContact CD1-CG1 3.95Å; L57-V68 HydrophobicContact CD2-CG1 4.18Å; L57-V68 HydrophobicContact CG-CG1 4.23Å; R61-V68 HydrophobicContact CB-CG2 3.83Å; R61-V68 HydrophobicContact CG-CG2 3.74Å; A66-V68 HydrophobicContact CB-CG2 4.1Å; V68-N71 HydrophobicContact CG1-CB 3.79Å; V68-V78 HydrophobicContact CG1-CG1 4.18Å; V68-E79 WeakPolarHBondContact CA-O 3.45Å; V68-F80 HydrophobicContact CB-CD2 4.4Å; V68-F80 HydrophobicContact CG1-CD2 4.2Å; V68-F80 HydrophobicContact CG2-CD2 3.38Å; V68-F80 HydrophobicContact CG2-CE2 3.58Å; V68-F80 HydrophobicContact CG2-CG 4.38Å
69V98.5Very high98.3Very high94 Ų9449.1 Ų49.157%0.5726%0.258SS*.EExtended strand (participates in β ladder)trans-118.2138171.2-176.10000108.6V78 E79V69-V78 WeakPolarHBondContact O-CA 3.42Å; V69-E79 HydrophobicContact CB-CB 4.2Å; V69-E79 PolarHBondContact N-O 3.45Å; V69-E79 PolarHBondContact O-N 3.12Å
70G98.1Very high98.3Very high11 Ų1149 Ų4911%0.11326%0.258CS..  trans88.214.1178.500000115.2L49 Y72 S75L49-G70 WeakPolarHBondContact CD1-O 3.4Å; G70-Y72 PolarHBondContact O-N 2.9Å; G70-S75 WeakPolarHBondContact O-CB 3.48Å; G70-S75 PolarHBondContact O-OG 3.48Å; G70-S75 VanDerWaalsContact O-OG 3.09Å
71N98.1Very high98.2Very high48 Ų4850.9 Ų50.926%0.25727%0.269SS..  trans-79.858.9176.665.3-39.5000113.1L54 L57 N58 V68L54-N71 VanDerWaalsContact CD1-C 3.41Å; L54-N71 HydrophobicContact CD1-CB 4.26Å; L54-N71 WeakPolarHBondContact CD1-O 3.17Å; L57-N71 HydrophobicContact CD2-CB 3.58Å; L57-N71 HydrophobicContact CG-CB 4.2Å; N58-N71 PolarHBondContact OD1-ND2 3.35Å; V68-N71 HydrophobicContact CG1-CB 3.79Å
72Y98.1Very high98.2Very high145 Ų14547.4 Ų47.457%0.56926%0.258SS*.SBendtrans-131.7157.5171.557-94.6000110.7L49 G70 L74 S75L49-Y72 WeakPolarHBondContact CD1-O 3.25Å; G70-Y72 PolarHBondContact O-N 2.9Å; Y72-L74 PolarHBondContact O-N 3.4Å; Y72-S75 VanDerWaalsContact O-CB 3.29Å; Y72-S75 WeakPolarHBondContact O-CB 3.44Å; Y72-S75 PolarHBondContact O-N 2.92Å; Y72-S75 VanDerWaalsContact O-N 3.12Å
73L97.7Very high98.1Very high72 Ų7249.6 Ų49.638%0.37726%0.26SS..THydrogen-bonded Turntrans-57.9140.1-177.2-167.173.7000110.7L49 L54 S75L49-L73 WeakPolarHBondContact O-CD1 3.4Å; L54-L73 HydrophobicContact CD2-CB 4.43Å; L73-S75 PolarHBondContact O-N 2.78Å
74L97.6Very high98.1Very high104 Ų10453.3 Ų53.355%0.54528%0.283SS..THydrogen-bonded Turntrans64.47-176.9-49.9178.7000115.4L49 Y72 S76L49-L74 PolarHBondContact O-N 3.11Å; Y72-L74 PolarHBondContact O-N 3.4Å; L74-S76 PolarHBondContact O-N 3.43Å
75S98.2Very high98.1Very high3 Ų354.1 Ų54.12%0.02129%0.287CS..  trans-58.3127.7170.1-171.90000110.4G48 L49 G70 Y72 L73 T77G48-S75 CarbonylContact C-O 3.51Å; G48-S75 WeakPolarHBondContact CA-O 3.27Å; L49-S75 PolarHBondContact N-O 3.41Å; G70-S75 WeakPolarHBondContact O-CB 3.48Å; G70-S75 PolarHBondContact O-OG 3.48Å; G70-S75 VanDerWaalsContact O-OG 3.09Å; Y72-S75 VanDerWaalsContact O-CB 3.29Å; Y72-S75 WeakPolarHBondContact O-CB 3.44Å; Y72-S75 PolarHBondContact O-N 2.92Å; Y72-S75 VanDerWaalsContact O-N 3.12Å; L73-S75 PolarHBondContact O-N 2.78Å; S75-T77 PolarHBondContact OG-N 3Å; S75-T77 PolarHBondContact OG-O 3.26Å
76S97.4Very high98.1Very high65 Ų6553.6 Ų53.646%0.45528%0.284SS..SBendtrans-88.2-10.8178.157.60000113.1V38 K39 I40 L74V38-S76 CarbonylContact C-O 3.52Å; K39-S76 PolarHBondContact N-O 2.95Å; I40-S76 WeakPolarHBondContact CG1-O 3.06Å; I40-S76 PolarHBondContact N-O 3.46Å; L74-S76 PolarHBondContact O-N 3.43Å
77T98.3Very high98Very high51 Ų5155.9 Ų55.931%0.31330%0.295SS..  trans-135.6136.4-179.2-58.90000110.4R36 V37 V38 S75R36-T77 HydrophobicContact CG-CG2 4.13Å; V37-T77 CarbonylContact O-C 3.56Å; V37-T77 VanDerWaalsContact O-CA 3.26Å; V37-T77 WeakPolarHBondContact O-CA 3.16Å; V38-T77 HydrophobicContact CG1-CG2 4.05Å; S75-T77 PolarHBondContact OG-N 3Å; S75-T77 PolarHBondContact OG-O 3.26Å
78V98.5Very high98Very high1 Ų156.5 Ų56.51%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-130.5131.9172.2170.60000108.8L25 R36 V37 I40 L49 L57 V68 V69 F80L25-V78 HydrophobicContact CD2-CG1 4.49Å; R36-V78 CarbonylContact C-O 3.59Å; R36-V78 WeakPolarHBondContact CA-O 3.24Å; V37-V78 PolarHBondContact N-O 3.11Å; V37-V78 PolarHBondContact O-N 3.3Å; I40-V78 HydrophobicContact CD1-CB 4.11Å; I40-V78 HydrophobicContact CD1-CG2 3.65Å; L49-V78 HydrophobicContact CD1-CG2 3.78Å; L49-V78 HydrophobicContact CD2-CG2 4.22Å; L49-V78 HydrophobicContact CG-CG2 4.24Å; L57-V78 HydrophobicContact CD1-CG1 3.91Å; L57-V78 HydrophobicContact CD2-CG1 3.86Å; L57-V78 HydrophobicContact CD2-CG2 3.82Å; V68-V78 HydrophobicContact CG1-CG1 4.18Å; V69-V78 WeakPolarHBondContact O-CA 3.42Å; V78-F80 HydrophobicContact CG1-CB 4.37Å
79E98.6Very high98Very high62 Ų6258.2 Ų58.229%0.2931%0.309SS..EExtended strand (participates in β ladder)trans-106.7131.4165.5-62179.4168.300107.9M6 R36 V68 V69M6-E79 HydrophobicContact CE-CB 4.41Å; M6-E79 HydrophobicContact SD-CB 3.96Å; M6-E79 HydrophobicContact SD-CG 4.16Å; R36-E79 HydrophobicContact CB-CG 4.18Å; R36-E79 VanDerWaalsContact CD-OE1 3.31Å; R36-E79 WeakPolarHBondContact CD-OE1 3.32Å; R36-E79 HydrophobicContact CG-CG 3.8Å; R36-E79 IonicContact NH1-OE1 3.61Å; V68-E79 WeakPolarHBondContact CA-O 3.45Å; V69-E79 HydrophobicContact CB-CB 4.2Å; V69-E79 PolarHBondContact N-O 3.45Å; V69-E79 PolarHBondContact O-N 3.12Å
80F98.6Very high98Very high0 Ų054.8 Ų54.80%029%0.286CS..EExtended strand (participates in β ladder)trans-137.7119.2-172.5-171.4-87.5000110L25 C29 P34 V35 L57 L60 R61 A66 V68 V78 P82L25-F80 HydrophobicContact CD2-CB 3.58Å; L25-F80 HydrophobicContact CD2-CD1 4.15Å; L25-F80 HydrophobicContact CD2-CD2 3.95Å; L25-F80 HydrophobicContact CD2-CG 3.63Å; C29-F80 WeakPolarHBondContact SG-CE1 3.34Å; P34-F80 WeakPolarHBondContact CA-O 3.11Å; V35-F80 HydrophobicContact CG1-CB 4.13Å; V35-F80 PolarHBondContact N-O 2.9Å; V35-F80 PolarHBondContact O-N 3.48Å; L57-F80 HydrophobicContact CD1-CD2 3.49Å; L57-F80 VanDerWaalsContact CD1-CD2 3.49Å; L57-F80 HydrophobicContact CD1-CE2 3.85Å; L60-F80 HydrophobicContact CB-CE2 4.28Å; L60-F80 HydrophobicContact CB-CZ 4.02Å; R61-F80 HydrophobicContact CB-CE2 4.3Å; A66-F80 HydrophobicContact CB-CD1 4.5Å; A66-F80 HydrophobicContact CB-CD2 4.36Å; A66-F80 HydrophobicContact CB-CE1 3.88Å; A66-F80 HydrophobicContact CB-CE2 3.73Å; A66-F80 HydrophobicContact CB-CZ 3.44Å; A66-F80 VanDerWaalsContact CB-CZ 3.44Å; V68-F80 HydrophobicContact CB-CD2 4.4Å; V68-F80 HydrophobicContact CG1-CD2 4.2Å; V68-F80 HydrophobicContact CG2-CD2 3.38Å; V68-F80 HydrophobicContact CG2-CE2 3.58Å; V68-F80 HydrophobicContact CG2-CG 4.38Å; V78-F80 HydrophobicContact CG1-CB 4.37Å; F80-P82 HydrophobicContact CD1-CB 4.48Å; F80-P82 HydrophobicContact CE1-CB 3.9Å; F80-P82 HydrophobicContact CE1-CG 4.37Å
81T98.4Very high98.1Very high40 Ų4062 Ų6225%0.24531%0.31CS..EExtended strand (participates in β ladder)trans-119.395-178.7-59.80000109.1M6 P34 A66 D67M6-T81 WeakPolarHBondContact CE-OG1 3.23Å; P34-T81 HydrophobicContact CG-CG2 4.15Å; A66-T81 CarbonylContact C-O 3.58Å; A66-T81 WeakPolarHBondContact CA-O 3.47Å; A66-T81 VanDerWaalsContact CB-O 3.26Å; A66-T81 WeakPolarHBondContact CB-O 3.29Å; D67-T81 PolarHBondContact N-O 3.24Å; D67-T81 PolarHBondContact O-N 2.85Å
82P97.9Very high98.1Very high12 Ų1260.4 Ų60.48%0.07830%0.302CS..  trans-70.9154.5-179.228.4-32.1000111.8S28 F80S28-P82 VanDerWaalsContact O-CG 3.3Å; S28-P82 WeakPolarHBondContact O-CG 3.42Å; S28-P82 WeakPolarHBondContact OG-CD 3.11Å; S28-P82 WeakPolarHBondContact OG-CG 3.33Å; F80-P82 HydrophobicContact CD1-CB 4.48Å; F80-P82 HydrophobicContact CE1-CB 3.9Å; F80-P82 HydrophobicContact CE1-CG 4.37Å
83R97.3Very high98.1Very high123 Ų12357.4 Ų57.446%0.46429%0.293SS..  trans-113.9-110.4168.9-55.7-177.4-174.4156.6-2110.3T64 N65 D67T64-R83 WeakPolarHBondContact O-CA 3.5Å; T64-R83 WeakPolarHBondContact O-CB 3.3Å; T64-R83 PolarHBondContact O-N 3.01Å; N65-R83 PolarHBondContact ND2-NH1 3.34Å; N65-R83 WeakPolarHBondContact O-CD 3.09Å; N65-R83 WeakPolarHBondContact O-CG 3.23Å; N65-R83 PolarHBondContact O-NE 3.13Å; D67-R83 IonicContact OD1-CZ 3.37Å; D67-R83 IonicContact OD1-NH2 2.75Å; D67-R83 PolarHBondContact OD1-NH2 3.18Å; D67-R83 IonicContact OD2-CZ 2.63Å; D67-R83 IonicContact OD2-NE 2.97Å; D67-R83 IonicContact OD2-NH2 3.87Å; D67-R83 PolarHBondContact OD2-NH2 3.16Å
84T97.2Very high98Very high79 Ų7954.1 Ų54.149%0.48528%0.276SS..  trans-106.6135.5-177.6-550000109.9T64 L86 L360T64-T84 CarbonylContact C-O 3.6Å; T64-T84 VanDerWaalsContact CA-O 3.27Å; T64-T84 WeakPolarHBondContact CA-O 3.06Å; T64-T84 PolarHBondContact O-N 2.89Å; T84-L86 PolarHBondContact O-N 3.16Å; T84-L360 HydrophobicContact CG2-CD1 4.32Å; T84-L360 HydrophobicContact CG2-CD2 4.11Å
85I98.4Very high97.9Very high16 Ų1657 Ų578%0.08229%0.286CS..  trans-69.1122.2174.3-57.6170.2000109.1I63 T64 V110 F113 A114 L360I63-I85 HydrophobicContact CG2-CG2 4.03Å; T64-I85 HydrophobicContact CG2-CG1 4Å; I85-V110 HydrophobicContact CD1-CG1 3.9Å; I85-V110 HydrophobicContact CG1-CG1 3.94Å; I85-V110 HydrophobicContact CG2-CG1 4.09Å; I85-F113 HydrophobicContact CD1-CB 3.91Å; I85-A114 HydrophobicContact CG2-CB 3.88Å; I85-L360 HydrophobicContact CB-CD1 4.07Å; I85-L360 VanDerWaalsContact O-CD1 3.27Å; I85-L360 WeakPolarHBondContact O-CD1 3.28Å
86L98.3Very high97.8Very high78 Ų7858.7 Ų58.741%0.40830%0.297SS..  trans-104.3136.6-178.9-56.4177.2000110.5I63 N65 T84 Y90I63-L86 WeakPolarHBondContact O-CB 3.34Å; I63-L86 PolarHBondContact O-N 2.97Å; N65-L86 HydrophobicContact CB-CD1 4.34Å; T84-L86 PolarHBondContact O-N 3.16Å; L86-Y90 WeakPolarHBondContact CB-OH 3.44Å; L86-Y90 PolarHBondContact O-OH 3Å
87D96.6Very high97.7Very high57 Ų5756.4 Ų56.431%0.30528%0.282SS..  trans-82.6133.4165.555.7-82.2000111.5A114 R116 S118D87-A114 HydrophobicContact CB-CB 4.26Å; D87-R116 HydrophobicContact CB-CB 3.98Å; D87-R116 VanDerWaalsContact CB-O 3.32Å; D87-R116 WeakPolarHBondContact CB-O 3.37Å; D87-R116 WeakPolarHBondContact OD2-CB 3.29Å; D87-S118 VanDerWaalsContact CA-OG 3.26Å; D87-S118 WeakPolarHBondContact CA-OG 3.38Å; D87-S118 WeakPolarHBondContact CB-OG 3.43Å
88N98.1Very high97.6Very high98 Ų9854.3 Ų54.352%0.52427%0.27SS..  trans-165.2178.4174.4-145.3-37.2000111.9Y90 S118 R119N88-Y90 HydrophobicContact CB-CD2 4.17Å; N88-Y90 HydrophobicContact CB-CE1 4.01Å; N88-Y90 HydrophobicContact CB-CE2 3.59Å; N88-Y90 VanDerWaalsContact CB-CZ 3.49Å; N88-S118 PolarHBondContact N-OG 2.99Å; N88-S118 WeakPolarHBondContact O-CA 3.23Å; N88-R119 PolarHBondContact O-N 3.32Å
89T98.7Very high97.6Very high63 Ų6354.3 Ų54.339%0.38727%0.27SS..EExtended strand (participates in β ladder)trans-90.7112.3156.5-63.30000109.9R119 I121T89-R119 CarbonylContact C-O 3.54Å; T89-R119 VanDerWaalsContact CA-O 3.27Å; T89-R119 WeakPolarHBondContact CA-O 3.46Å; T89-R119 HydrophobicContact CG2-CB 4.28Å; T89-R119 HydrophobicContact CG2-CG 4.15Å; T89-I121 HydrophobicContact CG2-CD1 4.2Å
90Y98.7Very high97.6Very high22 Ų2251.3 Ų51.39%0.08626%0.256CS..EExtended strand (participates in β ladder)trans-101.5143.4176.1-55.1-88.7000111L59 D62 I63 L86 N88 L111 R119 L120 I121L59-Y90 HydrophobicContact CD1-CD1 4.17Å; L59-Y90 HydrophobicContact CD1-CG 3.92Å; D62-Y90 HydrophobicContact CB-CD1 4.41Å; D62-Y90 HydrophobicContact CB-CE1 4.36Å; I63-Y90 HydrophobicContact CG1-CD1 4.21Å; I63-Y90 HydrophobicContact CG1-CD2 4.08Å; I63-Y90 HydrophobicContact CG1-CE1 3.89Å; I63-Y90 HydrophobicContact CG1-CE2 3.74Å; I63-Y90 HydrophobicContact CG1-CG 4.3Å; L86-Y90 WeakPolarHBondContact CB-OH 3.44Å; L86-Y90 PolarHBondContact O-OH 3Å; N88-Y90 HydrophobicContact CB-CD2 4.17Å; N88-Y90 HydrophobicContact CB-CE1 4.01Å; N88-Y90 HydrophobicContact CB-CE2 3.59Å; N88-Y90 VanDerWaalsContact CB-CZ 3.49Å; Y90-L111 HydrophobicContact CE2-CD2 4.31Å; Y90-R119 PolarHBondContact N-O 3.3Å; Y90-L120 HydrophobicContact CD2-CD2 3.68Å; Y90-L120 HydrophobicContact CG-CD2 4.01Å; Y90-I121 PolarHBondContact O-N 3.37Å
91R98.6Very high97.6Very high163 Ų16351.3 Ų51.362%0.61526%0.256SS*.EExtended strand (participates in β ladder)trans-124.5128.2178.3-62.9-178.7-178.4-82.3-1.9109.7I121R91-I121 VanDerWaalsContact CA-O 3.32Å; R91-I121 WeakPolarHBondContact CA-O 3.39Å; R91-I121 HydrophobicContact CG-CB 4.39Å
92V98.4Very high97.6Very high15 Ų1549.8 Ų49.89%0.09125%0.246CC..EExtended strand (participates in β ladder)trans-128117.8179.2179.90000109.2H55 L59 T94 I103 I121 V122 S123H55-V92 HydrophobicContact CB-CG1 3.86Å; L59-V92 HydrophobicContact CB-CG2 4.15Å; L59-V92 HydrophobicContact CD1-CG2 3.98Å; L59-V92 HydrophobicContact CD2-CG2 4.14Å; L59-V92 HydrophobicContact CG-CG2 4.31Å; V92-T94 HydrophobicContact CG1-CG2 4.18Å; V92-I103 HydrophobicContact CG1-CD1 4.49Å; V92-I121 PolarHBondContact N-O 2.78Å; V92-V122 HydrophobicContact CB-CB 4.47Å; V92-V122 HydrophobicContact CB-CG1 4.09Å; V92-V122 HydrophobicContact CB-CG2 4.1Å; V92-V122 HydrophobicContact CG1-CG1 4.28Å; V92-V122 HydrophobicContact CG2-CG2 4.41Å; V92-V122 CarbonylContact O-C 3.38Å; V92-V122 WeakPolarHBondContact O-CA 3.45Å; V92-S123 PolarHBondContact O-N 2.8Å
93E97.9Very high97.6Very high82 Ų8249.2 Ų49.238%0.38324%0.242SC..EExtended strand (participates in β ladder)trans-107.4107.3174.6-67.6-68.815500108.5H55 H95 S123H55-E93 PolarHBondContact CE1-O 2.86Å; E93-H95 VanDerWaalsContact C-N 3.34Å; E93-H95 PolarHBondContact O-CD2 2.93Å; E93-S123 VanDerWaalsContact CD-CB 3.48Å; E93-S123 VanDerWaalsContact CD-OG 3.23Å; E93-S123 PolarHBondContact OE1-OG 2.79Å; E93-S123 WeakPolarHBondContact OE2-CB 3.32Å; E93-S123 PolarHBondContact OE2-OG 2.94Å; E93-S123 VanDerWaalsContact OE2-OG 3.08Å
94T96.7Very high97.7Very high3 Ų343.4 Ų43.42%0.01822%0.22CC..  trans-82.7-14.8-176.565.60000113.7H55 V92 T96 A98 I103 S123 G124H55-T94 HydrophobicContact CB-CG2 4.17Å; H55-T94 WeakPolarHBondContact NE2-CA 3.5Å; H55-T94 PolarHBondContact NE2-O 2.92Å; V92-T94 HydrophobicContact CG1-CG2 4.18Å; T94-T96 WeakPolarHBondContact O-CG2 3.43Å; T94-T96 PolarHBondContact O-N 2.89Å; T94-T96 PolarHBondContact O-OG1 3.08Å; T94-T96 PolarHBondContact OG1-O 3.49Å; T94-A98 HydrophobicContact CG2-CB 3.89Å; T94-I103 HydrophobicContact CG2-CD1 3.61Å; T94-S123 WeakPolarHBondContact CB-O 3.27Å; T94-S123 VanDerWaalsContact CG2-O 3.26Å; T94-S123 WeakPolarHBondContact CG2-O 3.48Å; T94-S123 PolarHBondContact N-O 3.46Å; T94-S123 PolarHBondContact OG1-O 2.85Å; T94-G124 WeakPolarHBondContact OG1-CA 3.26Å
95H94.7Very high97.7Very high163 Ų16340.9 Ų40.976%0.75520%0.203SC*.SBendtrans48.219.1-175.2-57.2-68000115.3E93E93-H95 VanDerWaalsContact C-N 3.34Å; E93-H95 PolarHBondContact O-CD2 2.93Å
96T95.9Very high97.8Very high39 Ų3940.1 Ų40.124%0.23920%0.199CC..SBendtrans-147.4-175.7-174.460.10000109.9T94 A98 G124 R164T94-T96 WeakPolarHBondContact O-CG2 3.43Å; T94-T96 PolarHBondContact O-N 2.89Å; T94-T96 PolarHBondContact O-OG1 3.08Å; T94-T96 PolarHBondContact OG1-O 3.49Å; T96-A98 PolarHBondContact O-N 3.17Å; T96-A98 WeakPolarHBondContact OG1-CB 3.32Å; T96-A98 PolarHBondContact OG1-N 3.23Å; T96-G124 WeakPolarHBondContact O-CA 3.43Å; T96-R164 CarbonylContact C-O 3.59Å
97A95.4Very high97.8Very high17 Ų1736.4 Ų36.414%0.1418%0.18CC..SBendtrans-8421.316900000113.7S99 V128 Y162 P163A97-S99 PolarHBondContact O-N 3.3Å; A97-V128 HydrophobicContact CB-CG1 4.24Å; A97-Y162 HydrophobicContact CB-CD2 4.21Å; A97-P163 WeakPolarHBondContact CB-O 3.37Å
98A97.2Very high97.9Very high8 Ų833.8 Ų33.87%0.06617%0.166CC..  trans-53.8132.5173.400000110.8H51 Q52 T94 T96 I100 G125H51-A98 HydrophobicContact CB-CB 3.83Å; Q52-A98 HydrophobicContact CB-CB 3.93Å; T94-A98 HydrophobicContact CG2-CB 3.89Å; T96-A98 PolarHBondContact O-N 3.17Å; T96-A98 WeakPolarHBondContact OG1-CB 3.32Å; T96-A98 PolarHBondContact OG1-N 3.23Å; A98-I100 PolarHBondContact O-N 2.87Å; A98-G125 PolarHBondContact O-N 3.46Å
99S98.2Very high97.9Very high0 Ų029.2 Ų29.20%014%0.141CC..BIsolated β-bridgetrans-65.5120-173.71700000112A97 T101 L102 I103 A131A97-S99 PolarHBondContact O-N 3.3Å; S99-T101 VanDerWaalsContact C-N 3.31Å; S99-T101 PolarHBondContact OG-N 2.96Å; S99-T101 PolarHBondContact OG-OG1 3.29Å; S99-L102 PolarHBondContact OG-N 2.99Å; S99-L102 VanDerWaalsContact OG-N 3.07Å; S99-I103 WeakPolarHBondContact O-CG1 3.39Å; S99-I103 PolarHBondContact O-N 2.98Å; S99-A131 WeakPolarHBondContact OG-CB 3.31Å
100I98.7Very high97.9Very high0 Ų026.2 Ų26.20%012%0.123CC..Hα-helixtrans-62.4-41.7170.9-67173.7000110.1A98 L102 I103 Y104 V122 G125 T126 C169A98-I100 PolarHBondContact O-N 2.87Å; I100-L102 VanDerWaalsContact C-N 3.33Å; I100-L102 PolarHBondContact O-N 2.71Å; I100-I103 PolarHBondContact O-N 3.3Å; I100-Y104 HydrophobicContact CG2-CD2 3.68Å; I100-Y104 HydrophobicContact CG2-CE1 4.32Å; I100-Y104 HydrophobicContact CG2-CE2 3.27Å; I100-Y104 HydrophobicContact CG2-CG 4.35Å; I100-Y104 PolarHBondContact O-N 2.97Å; I100-V122 HydrophobicContact CB-CG1 4.35Å; I100-V122 WeakPolarHBondContact CD1-O 3.34Å; I100-V122 HydrophobicContact CG1-CB 4.43Å; I100-V122 HydrophobicContact CG1-CG1 3.9Å; I100-V122 HydrophobicContact CG2-CB 4.06Å; I100-V122 HydrophobicContact CG2-CG1 4.17Å; I100-G125 WeakPolarHBondContact CB-O 3.4Å; I100-G125 WeakPolarHBondContact CG1-O 2.96Å; I100-G125 PolarHBondContact N-O 2.91Å; I100-T126 HydrophobicContact CD1-CG2 3.78Å; I100-C169 HydrophobicContact CG2-CB 4.09Å
101T98.5Very high97.9Very high0 Ų025.2 Ų25.20%012%0.119CC..Hα-helixtrans-66.1-36.1-176.257.60000111.8S99 Y104 Q105 P132 V134 M137S99-T101 VanDerWaalsContact C-N 3.31Å; S99-T101 PolarHBondContact OG-N 2.96Å; S99-T101 PolarHBondContact OG-OG1 3.29Å; T101-Y104 PolarHBondContact O-N 3.25Å; T101-Q105 WeakPolarHBondContact O-CG 3.36Å; T101-Q105 PolarHBondContact O-N 3.01Å; T101-P132 WeakPolarHBondContact CB-O 3.31Å; T101-P132 WeakPolarHBondContact CG2-O 3.43Å; T101-P132 PolarHBondContact OG1-O 2.88Å; T101-V134 HydrophobicContact CG2-CB 4.45Å; T101-V134 HydrophobicContact CG2-CG1 3.74Å; T101-M137 HydrophobicContact CG2-CG 4.04Å; T101-M137 HydrophobicContact CG2-SD 3.57Å; T101-M137 VanDerWaalsContact CG2-SD 3.57Å
102L98.3Very high97.9Very high8 Ų817.4 Ų17.44%0.0429%0.09CC..Hα-helixtrans-71.7-33.1174.6-66.3179.6000112.9Q52 S99 I100 Q105 M106 A131Q52-L102 VanDerWaalsContact CD-CD1 3.49Å; S99-L102 PolarHBondContact OG-N 2.99Å; S99-L102 VanDerWaalsContact OG-N 3.07Å; I100-L102 VanDerWaalsContact C-N 3.33Å; I100-L102 PolarHBondContact O-N 2.71Å; L102-Q105 PolarHBondContact O-N 3.05Å; L102-M106 WeakPolarHBondContact O-CG 3.09Å; L102-M106 PolarHBondContact O-N 3.21Å; L102-A131 HydrophobicContact CD1-CB 3.8Å; L102-A131 HydrophobicContact CD2-CB 4.47Å; L102-A131 HydrophobicContact CG-CB 3.81Å
103I98.7Very high97.9Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-65.3-43.9171.1-67.6166.7000109.8H55 L59 V92 T94 S99 I100 M106 A107 V122H55-I103 HydrophobicContact CB-CD1 3.91Å; L59-I103 HydrophobicContact CD2-CG2 3.72Å; V92-I103 HydrophobicContact CG1-CD1 4.49Å; T94-I103 HydrophobicContact CG2-CD1 3.61Å; S99-I103 WeakPolarHBondContact O-CG1 3.39Å; S99-I103 PolarHBondContact O-N 2.98Å; I100-I103 PolarHBondContact O-N 3.3Å; I103-M106 WeakPolarHBondContact O-CB 3.4Å; I103-M106 PolarHBondContact O-N 3.16Å; I103-A107 PolarHBondContact O-N 3.2Å; I103-A107 VanDerWaalsContact O-N 3.16Å; I103-V122 HydrophobicContact CD1-CG1 3.99Å; I103-V122 HydrophobicContact CG2-CG1 4.4Å; I103-V122 HydrophobicContact CG2-CG2 4.35Å
104Y98.7Very high97.9Very high0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-64.1-39.1175.2-69.4-25.9000113.1I100 T101 M106 A107 L108 L120 V122 M137 L154 C169 L171I100-Y104 HydrophobicContact CG2-CD2 3.68Å; I100-Y104 HydrophobicContact CG2-CE1 4.32Å; I100-Y104 HydrophobicContact CG2-CE2 3.27Å; I100-Y104 HydrophobicContact CG2-CG 4.35Å; I100-Y104 PolarHBondContact O-N 2.97Å; T101-Y104 PolarHBondContact O-N 3.25Å; Y104-M106 PolarHBondContact O-N 3.08Å; Y104-A107 PolarHBondContact O-N 3.44Å; Y104-L108 WeakPolarHBondContact O-CB 3.26Å; Y104-L108 PolarHBondContact O-N 3.29Å; Y104-L120 HydrophobicContact CD1-CB 4.33Å; Y104-L120 HydrophobicContact CD1-CD1 3.82Å; Y104-L120 HydrophobicContact CE1-CB 3.68Å; Y104-L120 HydrophobicContact CE1-CD1 4.04Å; Y104-V122 HydrophobicContact CD1-CG2 4.11Å; Y104-V122 HydrophobicContact CE1-CB 3.98Å; Y104-V122 HydrophobicContact CE1-CG2 3.33Å; Y104-M137 HydrophobicContact CD2-CE 4.2Å; Y104-M137 HydrophobicContact CD2-SD 4.03Å; Y104-M137 HydrophobicContact CG-CE 4.44Å; Y104-L154 HydrophobicContact CD2-CD1 4.37Å; Y104-L154 HydrophobicContact CE2-CD1 3.69Å; Y104-C169 HydrophobicContact CE2-CB 3.89Å; Y104-C169 VanDerWaalsContact OH-C 3.23Å; Y104-C169 WeakPolarHBondContact OH-CB 3.04Å; Y104-C169 PolarHBondContact OH-O 3.16Å; Y104-C169 VanDerWaalsContact OH-O 3.05Å; Y104-L171 HydrophobicContact CD1-CB 4.22Å; Y104-L171 HydrophobicContact CD1-CD2 3.89Å; Y104-L171 HydrophobicContact CD2-CB 4.43Å; Y104-L171 HydrophobicContact CD2-CD2 4.38Å; Y104-L171 HydrophobicContact CE1-CB 3.81Å; Y104-L171 HydrophobicContact CE1-CD2 4.33Å; Y104-L171 HydrophobicContact CE2-CB 4.05Å; Y104-L171 HydrophobicContact CG-CD2 3.92Å
105Q98Very high98Very high26 Ų2613.7 Ų13.712%0.1218%0.076CC..Hα-helixtrans-59.9-29.4174.7-79.5179.1-1.900113.1T101 L102 P109T101-Q105 WeakPolarHBondContact O-CG 3.36Å; T101-Q105 PolarHBondContact O-N 3.01Å; L102-Q105 PolarHBondContact O-N 3.05Å; Q105-P109 WeakPolarHBondContact O-CD 3.44Å; Q105-P109 WeakPolarHBondContact O-CG 3.17Å
106M98.6Very high98.1Very high1 Ų114.1 Ų14.11%0.0057%0.071CC..Hα-helixtrans-74.4-46.6173.9-67.6176.968.600111.9R22 L25 S26 L60 L102 I103 Y104R22-M106 HydrophobicContact CB-CG 3.81Å; R22-M106 HydrophobicContact CB-SD 4.48Å; R22-M106 HydrophobicContact CG-CG 3.53Å; R22-M106 HydrophobicContact CG-SD 3.73Å; L25-M106 HydrophobicContact CB-CE 4.43Å; L25-M106 HydrophobicContact CD1-CE 3.74Å; S26-M106 WeakPolarHBondContact OG-CA 3.36Å; S26-M106 PolarHBondContact OG-O 2.84Å; L60-M106 HydrophobicContact CD1-CB 4.24Å; L60-M106 HydrophobicContact CD1-CE 3.76Å; L60-M106 HydrophobicContact CG-CE 4.45Å; L102-M106 WeakPolarHBondContact O-CG 3.09Å; L102-M106 PolarHBondContact O-N 3.21Å; I103-M106 WeakPolarHBondContact O-CB 3.4Å; I103-M106 PolarHBondContact O-N 3.16Å; Y104-M106 PolarHBondContact O-N 3.08Å
107A98.8Very high98.3Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-84.7-35-170.500000114L59 L60 I63 I103 Y104 V110 L111 L120L59-A107 HydrophobicContact CD2-CB 3.68Å; L59-A107 HydrophobicContact CG-CB 4.36Å; L60-A107 HydrophobicContact CD2-CB 4.44Å; I63-A107 HydrophobicContact CD1-CB 3.9Å; I103-A107 PolarHBondContact O-N 3.2Å; I103-A107 VanDerWaalsContact O-N 3.16Å; Y104-A107 PolarHBondContact O-N 3.44Å; A107-V110 WeakPolarHBondContact O-CB 3.48Å; A107-V110 PolarHBondContact O-N 3.48Å; A107-V110 VanDerWaalsContact O-N 3.08Å; A107-L111 PolarHBondContact O-N 2.67Å; A107-L120 HydrophobicContact CB-CD1 3.61Å
108L98.8Very high98.4Very high1 Ų115.2 Ų15.21%0.0058%0.077CC..Hα-helixtrans-55.6-51.8-176.9170.963.5000112Y104 V110 L111 L112 L141 L145 F152 L171 V173Y104-L108 WeakPolarHBondContact O-CB 3.26Å; Y104-L108 PolarHBondContact O-N 3.29Å; L108-V110 PolarHBondContact O-N 3.31Å; L108-V110 VanDerWaalsContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.07Å; L108-L112 HydrophobicContact CD1-CD2 4.35Å; L108-L112 HydrophobicContact CD1-CG 4.36Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 2.93Å; L108-L141 HydrophobicContact CD2-CD2 4.39Å; L108-L145 HydrophobicContact CD2-CD1 3.97Å; L108-F152 HydrophobicContact CD1-CB 4.41Å; L108-F152 HydrophobicContact CD1-CD1 4.15Å; L108-F152 HydrophobicContact CD2-CD1 3.82Å; L108-F152 HydrophobicContact CD2-CE1 3.8Å; L108-L171 HydrophobicContact CB-CD2 4.31Å; L108-L171 HydrophobicContact CD1-CD2 4.39Å; L108-V173 HydrophobicContact CD1-CB 4.43Å; L108-V173 HydrophobicContact CD1-CG1 3.8Å; L108-V173 HydrophobicContact CD1-CG2 3.71Å
109P98.7Very high98.5Very high2 Ų219.3 Ų19.31%0.0139%0.091CC..Hα-helixtrans-55.8-35.3177.6-24.533.1000113.5I30 Q105 F113 I302 Y303I30-P109 HydrophobicContact CD1-CB 3.93Å; I30-P109 WeakPolarHBondContact CD1-O 3.48Å; Q105-P109 WeakPolarHBondContact O-CD 3.44Å; Q105-P109 WeakPolarHBondContact O-CG 3.17Å; P109-F113 VanDerWaalsContact O-CD2 3.31Å; P109-F113 WeakPolarHBondContact O-CD2 3.44Å; P109-I302 HydrophobicContact CB-CD1 3.78Å; P109-I302 HydrophobicContact CB-CG1 4.42Å; P109-I302 HydrophobicContact CG-CD1 4.05Å; P109-I302 HydrophobicContact CG-CG2 4.13Å; P109-Y303 HydrophobicContact CG-CE1 4.4Å
110V98.8Very high98.5Very high0 Ų019.3 Ų19.30%09%0.091CC..Hα-helixtrans-73.2-46.3-178.2-176.20000110.9C29 I30 L60 I63 T64 I85 A107 L108 L112 F113C29-V110 HydrophobicContact CB-CB 4.34Å; C29-V110 HydrophobicContact CB-CG1 3.65Å; C29-V110 HydrophobicContact CB-CG2 3.68Å; I30-V110 HydrophobicContact CD1-CG2 4.37Å; I30-V110 HydrophobicContact CG1-CB 4.46Å; I30-V110 HydrophobicContact CG1-CG2 4.17Å; L60-V110 HydrophobicContact CD2-CB 4.27Å; L60-V110 HydrophobicContact CD2-CG2 3.74Å; I63-V110 HydrophobicContact CG2-CG1 3.89Å; T64-V110 HydrophobicContact CG2-CG1 4.13Å; I85-V110 HydrophobicContact CD1-CG1 3.9Å; I85-V110 HydrophobicContact CG1-CG1 3.94Å; I85-V110 HydrophobicContact CG2-CG1 4.09Å; A107-V110 WeakPolarHBondContact O-CB 3.48Å; A107-V110 PolarHBondContact O-N 3.48Å; A107-V110 VanDerWaalsContact O-N 3.08Å; L108-V110 PolarHBondContact O-N 3.31Å; L108-V110 VanDerWaalsContact O-N 3.16Å; V110-L112 PolarHBondContact O-N 3.27Å; V110-F113 PolarHBondContact O-N 3.03Å
111L98.7Very high98.5Very high1 Ų119.7 Ų19.71%0.0059%0.093CC..Hα-helixtrans-68.5-20.1-177.9-68.6177.7000113.9I63 Y90 A107 L108 F113 A114 L120 V173I63-L111 HydrophobicContact CD1-CD1 4.38Å; I63-L111 HydrophobicContact CD1-CD2 4Å; I63-L111 HydrophobicContact CD1-CG 4.16Å; I63-L111 HydrophobicContact CG1-CD2 4.19Å; I63-L111 HydrophobicContact CG2-CD2 3.84Å; Y90-L111 HydrophobicContact CE2-CD2 4.31Å; A107-L111 PolarHBondContact O-N 2.67Å; L108-L111 PolarHBondContact O-N 3.07Å; L111-F113 PolarHBondContact O-N 3.36Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 3.42Å; L111-A114 VanDerWaalsContact O-N 3.17Å; L111-L120 HydrophobicContact CD1-CD1 3.75Å; L111-L120 HydrophobicContact CD1-CD2 3.8Å; L111-L120 HydrophobicContact CD1-CG 3.71Å; L111-V173 HydrophobicContact CB-CB 4.16Å; L111-V173 HydrophobicContact CB-CG1 3.94Å; L111-V173 HydrophobicContact CB-CG2 4.41Å; L111-V173 HydrophobicContact CD1-CG2 4.25Å
112L98.6Very high98.5Very high0 Ų019.8 Ų19.80%09%0.094CC..THydrogen-bonded Turntrans-61.4-22.4169.4-66.6172.4000112.4L108 V110 V150 V173 P175 V176 L179 Y303L108-L112 HydrophobicContact CD1-CD2 4.35Å; L108-L112 HydrophobicContact CD1-CG 4.36Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 2.93Å; V110-L112 PolarHBondContact O-N 3.27Å; L112-V150 HydrophobicContact CD1-CB 4.43Å; L112-V150 HydrophobicContact CD1-CG1 3.89Å; L112-V150 HydrophobicContact CD1-CG2 3.64Å; L112-V150 HydrophobicContact CD2-CB 4.46Å; L112-V150 HydrophobicContact CD2-CG1 3.68Å; L112-V150 HydrophobicContact CD2-CG2 4.18Å; L112-V150 HydrophobicContact CG-CG1 4.44Å; L112-V173 HydrophobicContact CD2-CG1 3.74Å; L112-V173 HydrophobicContact CG-CG1 4.28Å; L112-P175 CarbonylContact O-C 3.4Å; L112-P175 WeakPolarHBondContact O-CA 3.37Å; L112-V176 HydrophobicContact CB-CG2 4.2Å; L112-V176 PolarHBondContact O-N 3.35Å; L112-L179 HydrophobicContact CD1-CD2 4.38Å; L112-Y303 HydrophobicContact CD1-CD1 4.28Å; L112-Y303 HydrophobicContact CD1-CE1 3.67Å
113F98.4Very high98.5Very high3 Ų319.7 Ų19.71%0.0139%0.094CC..THydrogen-bonded Turntrans-107.521.6177.7-61.2-82.3000112.9I30 I85 P109 V110 L111 L179 L306 H356 N358 L360I30-F113 HydrophobicContact CD1-CD2 4.27Å; I30-F113 HydrophobicContact CD1-CE2 4.42Å; I30-F113 HydrophobicContact CG1-CD2 4.11Å; I30-F113 HydrophobicContact CG2-CD2 3.9Å; I30-F113 HydrophobicContact CG2-CE2 4.12Å; I30-F113 HydrophobicContact CG2-CG 4.32Å; I85-F113 HydrophobicContact CD1-CB 3.91Å; P109-F113 VanDerWaalsContact O-CD2 3.31Å; P109-F113 WeakPolarHBondContact O-CD2 3.44Å; V110-F113 PolarHBondContact O-N 3.03Å; L111-F113 PolarHBondContact O-N 3.36Å; F113-L179 HydrophobicContact CE2-CD1 4.15Å; F113-L179 HydrophobicContact CZ-CD1 3.85Å; F113-L179 HydrophobicContact CZ-CG 3.9Å; F113-L306 HydrophobicContact CE2-CD1 4.05Å; F113-H356 AromaticContact CD1-CD2 3.59Å; F113-H356 AromaticContact CE1-CD2 3.5Å; F113-H356 AromaticContact CZ-CD2 4Å; F113-N358 WeakPolarHBondContact CA-ND2 3.31Å; F113-N358 HydrophobicContact CD1-CB 3.79Å; F113-N358 PolarHBondContact O-OD1 3.27Å; F113-L360 WeakPolarHBondContact O-CD1 3.37Å
114A98.1Very high98.5Very high0 Ų019.8 Ų19.80%09%0.094CC..SBendtrans-76.6166.1168.100000111.3I85 D87 L111 P175 N358I85-A114 HydrophobicContact CG2-CB 3.88Å; D87-A114 HydrophobicContact CB-CB 4.26Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 3.42Å; L111-A114 VanDerWaalsContact O-N 3.17Å; A114-P175 WeakPolarHBondContact O-CB 3.43Å; A114-N358 PolarHBondContact O-ND2 3Å
115G97.7Very high98.5Very high19 Ų1919.8 Ų19.820%0.1969%0.094CC..SBendtrans-77.6-25.5177.300000114.1L360G115-L360 VanDerWaalsContact CA-O 3.31Å; G115-L360 WeakPolarHBondContact CA-O 3.48Å
116R98.2Very high98.5Very high172 Ų17218.5 Ų18.565%0.6499%0.089SC*.SBendtrans-143.9169-178.2-57178.5173.5154.7-1.2111.7D87D87-R116 HydrophobicContact CB-CB 3.98Å; D87-R116 VanDerWaalsContact CB-O 3.32Å; D87-R116 WeakPolarHBondContact CB-O 3.37Å; D87-R116 WeakPolarHBondContact OD2-CB 3.29Å
117P98.4Very high98.5Very high73 Ų7318.6 Ų18.647%0.4749%0.089SC..  trans-57.3140178.4-26.537.3000113.1V173P117-V173 WeakPolarHBondContact CA-O 3.44Å
118S98.7Very high98.3Very high5 Ų519.1 Ų19.14%0.0359%0.092CC..EExtended strand (participates in β ladder)trans-123.4153.9-178.6-67.40000111.7D87 N88 V173D87-S118 VanDerWaalsContact CA-OG 3.26Å; D87-S118 WeakPolarHBondContact CA-OG 3.38Å; D87-S118 WeakPolarHBondContact CB-OG 3.43Å; N88-S118 PolarHBondContact N-OG 2.99Å; N88-S118 WeakPolarHBondContact O-CA 3.23Å; S118-V173 PolarHBondContact N-O 3.22Å; S118-V173 PolarHBondContact O-N 3.14Å
119R98.8Very high98.1Very high94 Ų9422.1 Ų22.136%0.35511%0.108SC..EExtended strand (participates in β ladder)trans-125.6130.7178174.3172-69.9165.92.5110.5N88 T89 Y90 I121 Q170 L171 D172N88-R119 PolarHBondContact O-N 3.32Å; T89-R119 CarbonylContact C-O 3.54Å; T89-R119 VanDerWaalsContact CA-O 3.27Å; T89-R119 WeakPolarHBondContact CA-O 3.46Å; T89-R119 HydrophobicContact CG2-CB 4.28Å; T89-R119 HydrophobicContact CG2-CG 4.15Å; Y90-R119 PolarHBondContact N-O 3.3Å; R119-I121 HydrophobicContact CG-CD1 4.38Å; R119-I121 HydrophobicContact CG-CG1 4.07Å; R119-Q170 HydrophobicContact CG-CG 4.01Å; R119-L171 CarbonylContact C-O 3.6Å; R119-L171 WeakPolarHBondContact CA-O 3.26Å; R119-D172 IonicContact CZ-OD1 2.86Å; R119-D172 IonicContact NE-OD1 2.69Å; R119-D172 PolarHBondContact NE-OD1 3.44Å; R119-D172 IonicContact NE-OD2 3.65Å; R119-D172 IonicContact NH2-OD1 3.87Å; R119-D172 PolarHBondContact NH2-OD1 3.11Å; R119-D172 IonicContact NH2-OD2 3.61Å
120L98.7Very high97.8Very high1 Ų130.8 Ų30.81%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-111.9127.9170.7-56.8-177.3000109.6L59 Y90 Y104 A107 L111 V122 Q170 L171L59-L120 HydrophobicContact CD1-CD2 4.08Å; L59-L120 HydrophobicContact CD2-CD1 4.24Å; L59-L120 HydrophobicContact CD2-CD2 4.25Å; Y90-L120 HydrophobicContact CD2-CD2 3.68Å; Y90-L120 HydrophobicContact CG-CD2 4.01Å; Y104-L120 HydrophobicContact CD1-CB 4.33Å; Y104-L120 HydrophobicContact CD1-CD1 3.82Å; Y104-L120 HydrophobicContact CE1-CB 3.68Å; Y104-L120 HydrophobicContact CE1-CD1 4.04Å; A107-L120 HydrophobicContact CB-CD1 3.61Å; L111-L120 HydrophobicContact CD1-CD1 3.75Å; L111-L120 HydrophobicContact CD1-CD2 3.8Å; L111-L120 HydrophobicContact CD1-CG 3.71Å; L120-V122 HydrophobicContact CB-CG2 4.39Å; L120-Q170 CarbonylContact O-C 3.34Å; L120-Q170 VanDerWaalsContact O-CA 3.26Å; L120-Q170 WeakPolarHBondContact O-CA 3.34Å; L120-L171 HydrophobicContact CB-CB 4.28Å; L120-L171 HydrophobicContact CD1-CD2 4.23Å; L120-L171 PolarHBondContact N-O 2.61Å; L120-L171 PolarHBondContact O-N 2.8Å
121I98.8Very high97.6Very high8 Ų831.7 Ų31.74%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-118.4108172.1-59.1167.5000107.3T89 Y90 R91 V92 R119 R168 C169 Q170T89-I121 HydrophobicContact CG2-CD1 4.2Å; Y90-I121 PolarHBondContact O-N 3.37Å; R91-I121 VanDerWaalsContact CA-O 3.32Å; R91-I121 WeakPolarHBondContact CA-O 3.39Å; R91-I121 HydrophobicContact CG-CB 4.39Å; V92-I121 PolarHBondContact N-O 2.78Å; R119-I121 HydrophobicContact CG-CD1 4.38Å; R119-I121 HydrophobicContact CG-CG1 4.07Å; I121-R168 HydrophobicContact CG2-CG 4.39Å; I121-C169 WeakPolarHBondContact CA-O 3.49Å; I121-Q170 HydrophobicContact CG1-CB 4.44Å; I121-Q170 HydrophobicContact CG1-CG 4.19Å
122V98.7Very high97.5Very high1 Ų132.5 Ų32.51%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-120.6132.3-172.7-174.50000109.6V92 I100 I103 Y104 L120 R168 C169V92-V122 HydrophobicContact CB-CB 4.47Å; V92-V122 HydrophobicContact CB-CG1 4.09Å; V92-V122 HydrophobicContact CB-CG2 4.1Å; V92-V122 HydrophobicContact CG1-CG1 4.28Å; V92-V122 HydrophobicContact CG2-CG2 4.41Å; V92-V122 CarbonylContact O-C 3.38Å; V92-V122 WeakPolarHBondContact O-CA 3.45Å; I100-V122 HydrophobicContact CB-CG1 4.35Å; I100-V122 WeakPolarHBondContact CD1-O 3.34Å; I100-V122 HydrophobicContact CG1-CB 4.43Å; I100-V122 HydrophobicContact CG1-CG1 3.9Å; I100-V122 HydrophobicContact CG2-CB 4.06Å; I100-V122 HydrophobicContact CG2-CG1 4.17Å; I103-V122 HydrophobicContact CD1-CG1 3.99Å; I103-V122 HydrophobicContact CG2-CG1 4.4Å; I103-V122 HydrophobicContact CG2-CG2 4.35Å; Y104-V122 HydrophobicContact CD1-CG2 4.11Å; Y104-V122 HydrophobicContact CE1-CB 3.98Å; Y104-V122 HydrophobicContact CE1-CG2 3.33Å; L120-V122 HydrophobicContact CB-CG2 4.39Å; V122-R168 WeakPolarHBondContact O-CA 3.41Å; V122-C169 PolarHBondContact N-O 2.84Å; V122-C169 PolarHBondContact O-N 2.94Å
123S98.4Very high97.5Very high7 Ų733.1 Ų33.15%0.04916%0.163CC..EExtended strand (participates in β ladder)trans-110.8131.4174.8-59.80000110.8V92 E93 T94 G167V92-S123 PolarHBondContact O-N 2.8Å; E93-S123 VanDerWaalsContact CD-CB 3.48Å; E93-S123 VanDerWaalsContact CD-OG 3.23Å; E93-S123 PolarHBondContact OE1-OG 2.79Å; E93-S123 WeakPolarHBondContact OE2-CB 3.32Å; E93-S123 PolarHBondContact OE2-OG 2.94Å; E93-S123 VanDerWaalsContact OE2-OG 3.08Å; T94-S123 WeakPolarHBondContact CB-O 3.27Å; T94-S123 VanDerWaalsContact CG2-O 3.26Å; T94-S123 WeakPolarHBondContact CG2-O 3.48Å; T94-S123 PolarHBondContact N-O 3.46Å; T94-S123 PolarHBondContact OG1-O 2.85Å; S123-G167 CarbonylContact C-O 3.44Å; S123-G167 WeakPolarHBondContact CA-O 3.26Å; S123-G167 WeakPolarHBondContact CB-O 3.5Å
124G98.1Very high97.5Very high1 Ų133 Ų331%0.0116%0.162CC..EExtended strand (participates in β ladder)trans167.8-147.9-171.800000113.8T94 T96 G165 Q166 G167T94-G124 WeakPolarHBondContact OG1-CA 3.26Å; T96-G124 WeakPolarHBondContact O-CA 3.43Å; G124-G165 CarbonylContact O-C 3.52Å; G124-G165 WeakPolarHBondContact O-CA 3.24Å; G124-Q166 PolarHBondContact O-N 3.38Å; G124-G167 PolarHBondContact N-O 3.19Å; G124-G167 VanDerWaalsContact O-CA 3.28Å; G124-G167 WeakPolarHBondContact O-CA 3.34Å; G124-G167 PolarHBondContact O-N 2.97Å
125G98.1Very high97.5Very high0 Ų033.3 Ų33.30%016%0.164CC..BIsolated β-bridgetrans-85.2122.9172.700000112A98 I100 G160A98-G125 PolarHBondContact O-N 3.46Å; I100-G125 WeakPolarHBondContact CB-O 3.4Å; I100-G125 WeakPolarHBondContact CG1-O 2.96Å; I100-G125 PolarHBondContact N-O 2.91Å; G125-G160 CarbonylContact C-O 3.57Å; G125-G160 WeakPolarHBondContact CA-O 3.47Å
126T98.3Very high97.5Very high0 Ų032.5 Ų32.50%016%0.155CC..SBendtrans-87.4-36.6174.657.50000111.7I100 V134 G160I100-T126 HydrophobicContact CD1-CG2 3.78Å; T126-V134 HydrophobicContact CG2-CG1 4.01Å; T126-V134 WeakPolarHBondContact O-CG1 3.3Å; T126-V134 PolarHBondContact O-N 2.94Å; T126-V134 VanDerWaalsContact O-N 3.09Å; T126-G160 PolarHBondContact N-O 2.92Å; T126-G160 PolarHBondContact OG1-N 2.85Å; T126-G160 PolarHBondContact OG1-O 3.31Å
127N97.8Very high97.6Very high2 Ų224.3 Ų24.31%0.01112%0.124CC..BIsolated β-bridgetrans-137.495.4-177.6-5260.9000106.5P133 E135 G160 F161 Y198 L264N127-P133 HydrophobicContact CB-CB 4.26Å; N127-P133 WeakPolarHBondContact ND2-CB 3.47Å; N127-E135 PolarHBondContact ND2-OE2 2.68Å; N127-G160 PolarHBondContact N-O 2.89Å; N127-F161 HydrophobicContact CB-CD1 3.91Å; N127-F161 HydrophobicContact CB-CE1 3.78Å; N127-Y198 WeakPolarHBondContact CB-OH 3.34Å; N127-Y198 PolarHBondContact ND2-OH 2.78Å; N127-L264 HydrophobicContact CB-CD1 3.96Å
128V96.2Very high97.5Very high11 Ų1123.5 Ų23.57%0.06711%0.114CC..  trans-138.1157.7-173-660000110.4A97 A131A97-V128 HydrophobicContact CB-CG1 4.24Å; V128-A131 HydrophobicContact CG2-CB 4.15Å; V128-A131 PolarHBondContact O-N 2.86Å
129D93Very high97.5Very high64 Ų6428.1 Ų28.134%0.34214%0.135SC..THydrogen-bonded Turntrans-54.8146.3179.8-83.22.3000112.2A131 K266D129-A131 PolarHBondContact O-N 3.29Å; D129-K266 WeakPolarHBondContact OD1-CE 3.24Å; D129-K266 IonicContact OD1-NZ 2.8Å; D129-K266 PolarHBondContact OD1-NZ 3.15Å; D129-K266 VanDerWaalsContact OD2-CE 3.27Å; D129-K266 WeakPolarHBondContact OD2-CE 3.48Å; D129-K266 IonicContact OD2-NZ 3.97Å; D129-K266 PolarHBondContact OD2-NZ 2.84Å
130F92.2Very high97.5Very high184 Ų18423.7 Ų23.781%0.80712%0.118SC*.THydrogen-bonded Turntrans59.223177-48.1-70.8000114.9
131A96Very high97.5Very high19 Ų1923.7 Ų23.716%0.15712%0.118CC..SBendtrans-141.8152.3172.600000110.8S99 L102 V128 D129S99-A131 WeakPolarHBondContact OG-CB 3.31Å; L102-A131 HydrophobicContact CD1-CB 3.8Å; L102-A131 HydrophobicContact CD2-CB 4.47Å; L102-A131 HydrophobicContact CG-CB 3.81Å; V128-A131 HydrophobicContact CG2-CB 4.15Å; V128-A131 PolarHBondContact O-N 2.86Å; D129-A131 PolarHBondContact O-N 3.29Å
132P96.6Very high97.5Very high19 Ų1924.8 Ų24.812%0.12312%0.124CC..  trans-61.7139.9172.1-20.432.4000110.8T101 Y136T101-P132 WeakPolarHBondContact CB-O 3.31Å; T101-P132 WeakPolarHBondContact CG2-O 3.43Å; T101-P132 PolarHBondContact OG1-O 2.88Å; P132-Y136 HydrophobicContact CB-CD1 3.82Å; P132-Y136 HydrophobicContact CB-CG 4.14Å
133P98Very high97.5Very high12 Ų1226.1 Ų26.18%0.07813%0.133CC..  trans-64.4154.9167.627.3-31.6000110.6N127 E135 Y136N127-P133 HydrophobicContact CB-CB 4.26Å; N127-P133 WeakPolarHBondContact ND2-CB 3.47Å; P133-E135 PolarHBondContact O-N 3.08Å; P133-Y136 VanDerWaalsContact O-CB 3.27Å; P133-Y136 WeakPolarHBondContact O-CB 3.32Å; P133-Y136 PolarHBondContact O-N 2.99Å
134V98.3Very high97.5Very high0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-58.3-34.3-179.6-75.20000113.1T101 T126 Y136 M137 Q138 V156 Y159T101-V134 HydrophobicContact CG2-CB 4.45Å; T101-V134 HydrophobicContact CG2-CG1 3.74Å; T126-V134 HydrophobicContact CG2-CG1 4.01Å; T126-V134 WeakPolarHBondContact O-CG1 3.3Å; T126-V134 PolarHBondContact O-N 2.94Å; T126-V134 VanDerWaalsContact O-N 3.09Å; V134-Y136 PolarHBondContact O-N 3.44Å; V134-M137 WeakPolarHBondContact O-CB 3.37Å; V134-M137 PolarHBondContact O-N 2.96Å; V134-M137 VanDerWaalsContact O-N 3.09Å; V134-Q138 PolarHBondContact O-N 3.06Å; V134-V156 HydrophobicContact CB-CG2 3.96Å; V134-V156 HydrophobicContact CG2-CG1 4.4Å; V134-V156 HydrophobicContact CG2-CG2 3.66Å; V134-Y159 HydrophobicContact CG2-CD1 4.37Å; V134-Y159 HydrophobicContact CG2-CE1 3.83Å
135E98.1Very high97.5Very high8 Ų825.7 Ų25.74%0.03713%0.13CC..Hα-helixtrans-62.5-33.5175.1-65.584.1175.600111.7N127 P133 M137 Q138 E139 Y159 V196 L248N127-E135 PolarHBondContact ND2-OE2 2.68Å; P133-E135 PolarHBondContact O-N 3.08Å; E135-M137 PolarHBondContact O-N 2.98Å; E135-Q138 PolarHBondContact O-N 2.84Å; E135-Q138 VanDerWaalsContact O-N 3.11Å; E135-E139 WeakPolarHBondContact O-CB 3.44Å; E135-E139 WeakPolarHBondContact O-CG 3.34Å; E135-E139 PolarHBondContact O-N 2.86Å; E135-Y159 WeakPolarHBondContact OE1-CE1 3.36Å; E135-Y159 VanDerWaalsContact OE1-CZ 3.27Å; E135-Y159 PolarHBondContact OE1-OH 3.28Å; E135-V196 HydrophobicContact CG-CG1 4.11Å; E135-L248 VanDerWaalsContact C-CD2 3.42Å; E135-L248 HydrophobicContact CB-CB 4.45Å; E135-L248 HydrophobicContact CB-CD2 3.44Å; E135-L248 VanDerWaalsContact CB-CD2 3.44Å
136Y98.8Very high97.5Very high2 Ų231.7 Ų31.71%0.00816%0.156CC..Hα-helixtrans-64.7-34.3176.8-176.2-79000110.7P132 P133 V134 V140 L141 L248 D293 M296P132-Y136 HydrophobicContact CB-CD1 3.82Å; P132-Y136 HydrophobicContact CB-CG 4.14Å; P133-Y136 VanDerWaalsContact O-CB 3.27Å; P133-Y136 WeakPolarHBondContact O-CB 3.32Å; P133-Y136 PolarHBondContact O-N 2.99Å; V134-Y136 PolarHBondContact O-N 3.44Å; Y136-V140 HydrophobicContact CD1-CB 4.11Å; Y136-V140 HydrophobicContact CD2-CB 4.06Å; Y136-V140 HydrophobicContact CD2-CG1 4.47Å; Y136-V140 HydrophobicContact CD2-CG2 3.72Å; Y136-V140 HydrophobicContact CE1-CB 4.03Å; Y136-V140 HydrophobicContact CE1-CG1 4.18Å; Y136-V140 HydrophobicContact CE2-CB 3.98Å; Y136-V140 HydrophobicContact CE2-CG1 3.9Å; Y136-V140 HydrophobicContact CE2-CG2 3.94Å; Y136-V140 HydrophobicContact CG-CB 4.11Å; Y136-V140 HydrophobicContact CG-CG2 4.04Å; Y136-V140 WeakPolarHBondContact O-CA 3.37Å; Y136-V140 VanDerWaalsContact O-CB 3.25Å; Y136-V140 WeakPolarHBondContact O-CB 3.39Å; Y136-V140 PolarHBondContact O-N 3.03Å; Y136-L141 PolarHBondContact O-N 2.81Å; Y136-L248 HydrophobicContact CD2-CD1 3.96Å; Y136-D293 PolarHBondContact OH-OD1 2.84Å; Y136-D293 PolarHBondContact OH-OD2 2.89Å; Y136-D293 VanDerWaalsContact OH-OD2 3.07Å; Y136-M296 HydrophobicContact CD1-CE 4.42Å; Y136-M296 HydrophobicContact CE1-CE 3.4Å; Y136-M296 VanDerWaalsContact CE1-CE 3.4Å; Y136-M296 WeakPolarHBondContact OH-CB 3.23Å; Y136-M296 WeakPolarHBondContact OH-CE 3.46Å; Y136-M296 PolarHBondContact OH-N 3.04Å; Y136-M296 VanDerWaalsContact OH-N 3.16Å
137M98.5Very high97.4Very high0 Ų034.2 Ų34.20%017%0.168CC..Iπ-helixtrans-66-39.7173-70.6-17072.900112.3T101 Y104 V134 E135 L141 L142 F152 L154T101-M137 HydrophobicContact CG2-CG 4.04Å; T101-M137 HydrophobicContact CG2-SD 3.57Å; T101-M137 VanDerWaalsContact CG2-SD 3.57Å; Y104-M137 HydrophobicContact CD2-CE 4.2Å; Y104-M137 HydrophobicContact CD2-SD 4.03Å; Y104-M137 HydrophobicContact CG-CE 4.44Å; V134-M137 WeakPolarHBondContact O-CB 3.37Å; V134-M137 PolarHBondContact O-N 2.96Å; V134-M137 VanDerWaalsContact O-N 3.09Å; E135-M137 PolarHBondContact O-N 2.98Å; M137-L141 HydrophobicContact CB-CD2 4.44Å; M137-L141 HydrophobicContact CE-CD2 3.65Å; M137-L141 HydrophobicContact CG-CD2 4.09Å; M137-L141 WeakPolarHBondContact O-CB 3.12Å; M137-L142 PolarHBondContact O-N 3.23Å; M137-F152 WeakPolarHBondContact O-CZ 3.28Å; M137-L154 HydrophobicContact CB-CD2 3.62Å; M137-L154 HydrophobicContact SD-CD2 4.28Å
138Q98.1Very high97.5Very high55 Ų5534.2 Ų34.226%0.25717%0.167SC..Iπ-helixtrans-71.4-47.3-179.9-63.8176.6-68.300111.9V134 E135 L154V134-Q138 PolarHBondContact O-N 3.06Å; E135-Q138 PolarHBondContact O-N 2.84Å; E135-Q138 VanDerWaalsContact O-N 3.11Å; Q138-L154 HydrophobicContact CG-CB 4.16Å; Q138-L154 HydrophobicContact CG-CD2 3.85Å; Q138-L154 HydrophobicContact CG-CG 4.04Å; Q138-L154 PolarHBondContact NE2-O 2.88Å
139E98.1Very high97.5Very high103 Ų10335.5 Ų35.548%0.48118%0.183SC..Iπ-helixtrans-98.2-12.8-167.3-58.4-58141.200113.7E135 P143 L248 T250 V258E135-E139 WeakPolarHBondContact O-CB 3.44Å; E135-E139 WeakPolarHBondContact O-CG 3.34Å; E135-E139 PolarHBondContact O-N 2.86Å; E139-P143 WeakPolarHBondContact O-CG 3.39Å; E139-L248 HydrophobicContact CB-CD2 4.05Å; E139-L248 HydrophobicContact CG-CD2 4.25Å; E139-T250 HydrophobicContact CB-CG2 4Å; E139-V258 VanDerWaalsContact O-CG1 3.25Å; E139-V258 WeakPolarHBondContact O-CG1 3.42Å
140V98.7Very high97.8Very high0 Ų032.5 Ų32.50%017%0.167CC..Iπ-helixtrans-128.3-54.6-176.1-164.50000111.4Y136 P143 N144 L248 T250 M296Y136-V140 HydrophobicContact CD1-CB 4.11Å; Y136-V140 HydrophobicContact CD2-CB 4.06Å; Y136-V140 HydrophobicContact CD2-CG1 4.47Å; Y136-V140 HydrophobicContact CD2-CG2 3.72Å; Y136-V140 HydrophobicContact CE1-CB 4.03Å; Y136-V140 HydrophobicContact CE1-CG1 4.18Å; Y136-V140 HydrophobicContact CE2-CB 3.98Å; Y136-V140 HydrophobicContact CE2-CG1 3.9Å; Y136-V140 HydrophobicContact CE2-CG2 3.94Å; Y136-V140 HydrophobicContact CG-CB 4.11Å; Y136-V140 HydrophobicContact CG-CG2 4.04Å; Y136-V140 WeakPolarHBondContact O-CA 3.37Å; Y136-V140 VanDerWaalsContact O-CB 3.25Å; Y136-V140 WeakPolarHBondContact O-CB 3.39Å; Y136-V140 PolarHBondContact O-N 3.03Å; V140-P143 WeakPolarHBondContact O-CD 3.36Å; V140-N144 WeakPolarHBondContact O-CB 3.5Å; V140-N144 PolarHBondContact O-N 3.48Å; V140-N144 VanDerWaalsContact O-N 3.13Å; V140-N144 PolarHBondContact O-ND2 3.05Å; V140-L248 HydrophobicContact CG2-CD1 4.48Å; V140-T250 HydrophobicContact CG2-CG2 3.84Å; V140-M296 HydrophobicContact CB-CE 4.31Å; V140-M296 HydrophobicContact CG1-CE 3.89Å
141L98.6Very high97.9Very high2 Ų226.9 Ų26.91%0.0115%0.15CC..Iπ-helixtrans-62.6-51.8179.7-178.364.4000111.7L108 Y136 M137 N144 L145 F152 M296 Q299L108-L141 HydrophobicContact CD2-CD2 4.39Å; Y136-L141 PolarHBondContact O-N 2.81Å; M137-L141 HydrophobicContact CB-CD2 4.44Å; M137-L141 HydrophobicContact CE-CD2 3.65Å; M137-L141 HydrophobicContact CG-CD2 4.09Å; M137-L141 WeakPolarHBondContact O-CB 3.12Å; L141-N144 PolarHBondContact O-N 3.17Å; L141-L145 HydrophobicContact CD1-CD1 3.81Å; L141-L145 HydrophobicContact CD1-CD2 4.26Å; L141-L145 HydrophobicContact CD1-CG 3.78Å; L141-L145 HydrophobicContact CD2-CD1 4.38Å; L141-L145 HydrophobicContact CG-CD1 3.83Å; L141-L145 HydrophobicContact CG-CG 4.08Å; L141-L145 WeakPolarHBondContact O-CB 3.4Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 3.39Å; L141-F152 HydrophobicContact CD2-CE1 4.41Å; L141-F152 HydrophobicContact CD2-CZ 4.36Å; L141-F152 HydrophobicContact CG-CE1 4.44Å; L141-M296 HydrophobicContact CB-CE 3.85Å; L141-M296 HydrophobicContact CD1-CE 3.86Å; L141-M296 HydrophobicContact CD1-SD 3.7Å; L141-M296 HydrophobicContact CG-CE 4.49Å; L141-Q299 HydrophobicContact CD1-CB 4.43Å
142L98.4Very high98Very high30 Ų3026.3 Ų26.316%0.15714%0.144CC..Hα-helixtrans-57.8-50.5-178.5173.363.5000112.2M137 N144 L145 K146 F152M137-L142 PolarHBondContact O-N 3.23Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.36Å; L142-L145 PolarHBondContact O-N 2.89Å; L142-K146 WeakPolarHBondContact O-CG 3.26Å; L142-K146 PolarHBondContact O-N 3.27Å; L142-K146 VanDerWaalsContact O-N 3.08Å; L142-F152 HydrophobicContact CB-CE1 3.92Å; L142-F152 HydrophobicContact CB-CE2 4.13Å; L142-F152 HydrophobicContact CB-CZ 3.63Å; L142-F152 HydrophobicContact CD1-CD1 3.92Å; L142-F152 HydrophobicContact CD1-CE1 3.97Å; L142-F152 HydrophobicContact CD1-CG 4.22Å; L142-F152 HydrophobicContact CD1-CZ 4.31Å; L142-F152 HydrophobicContact CG-CZ 4.46Å
143P98.1Very high98.1Very high29 Ų2929 Ų2919%0.18816%0.158CC..Hα-helixtrans-57.2-41.1174.3-28.236.3000114.1E139 V140 K146 H147 V258E139-P143 WeakPolarHBondContact O-CG 3.39Å; V140-P143 WeakPolarHBondContact O-CD 3.36Å; P143-K146 WeakPolarHBondContact O-CB 3.43Å; P143-K146 PolarHBondContact O-N 3.35Å; P143-H147 PolarHBondContact O-CD2 2.82Å; P143-V258 HydrophobicContact CB-CB 4.03Å; P143-V258 HydrophobicContact CB-CG1 4.37Å; P143-V258 HydrophobicContact CB-CG2 3.66Å; P143-V258 HydrophobicContact CG-CG1 4.48Å; P143-V258 HydrophobicContact CG-CG2 4.42Å
144N98.6Very high98.1Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-67.5-36.7177.9-82.6-82.9000112.2V140 L141 L142 K146 H147 V258 M296 L300V140-N144 WeakPolarHBondContact O-CB 3.5Å; V140-N144 PolarHBondContact O-N 3.48Å; V140-N144 VanDerWaalsContact O-N 3.13Å; V140-N144 PolarHBondContact O-ND2 3.05Å; L141-N144 PolarHBondContact O-N 3.17Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.36Å; N144-K146 VanDerWaalsContact C-N 3.33Å; N144-K146 PolarHBondContact O-N 3.2Å; N144-H147 WeakPolarHBondContact O-CB 3.38Å; N144-H147 PolarHBondContact O-CD2 2.82Å; N144-H147 PolarHBondContact O-N 3.42Å; N144-V258 PolarHBondContact ND2-O 2.77Å; N144-M296 HydrophobicContact CB-CG 4.17Å; N144-M296 HydrophobicContact CB-SD 4.03Å; N144-L300 HydrophobicContact CB-CD2 4.3Å
145L98.5Very high98.2Very high0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-73.1-21.7177.7-70.9-169.3000113.7L108 L141 L142 H147 F148 V150 F152 L300 Y303L108-L145 HydrophobicContact CD2-CD1 3.97Å; L141-L145 HydrophobicContact CD1-CD1 3.81Å; L141-L145 HydrophobicContact CD1-CD2 4.26Å; L141-L145 HydrophobicContact CD1-CG 3.78Å; L141-L145 HydrophobicContact CD2-CD1 4.38Å; L141-L145 HydrophobicContact CG-CD1 3.83Å; L141-L145 HydrophobicContact CG-CG 4.08Å; L141-L145 WeakPolarHBondContact O-CB 3.4Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 3.39Å; L142-L145 PolarHBondContact O-N 2.89Å; L145-H147 PolarHBondContact O-N 2.79Å; L145-F148 HydrophobicContact CD2-CD2 4.48Å; L145-F148 WeakPolarHBondContact O-CA 3.35Å; L145-F148 WeakPolarHBondContact O-CB 3.04Å; L145-F148 PolarHBondContact O-N 3.23Å; L145-V150 HydrophobicContact CB-CB 3.96Å; L145-V150 HydrophobicContact CB-CG1 4Å; L145-V150 HydrophobicContact CD1-CG1 4.05Å; L145-V150 WeakPolarHBondContact O-CB 3.49Å; L145-V150 PolarHBondContact O-N 3.37Å; L145-F152 HydrophobicContact CD1-CE1 4.15Å; L145-L300 HydrophobicContact CD2-CD2 3.67Å; L145-Y303 HydrophobicContact CD1-CE1 4.02Å; L145-Y303 HydrophobicContact CD1-CE2 4.21Å; L145-Y303 HydrophobicContact CD2-CD1 3.88Å; L145-Y303 HydrophobicContact CD2-CD2 3.55Å; L145-Y303 HydrophobicContact CD2-CE1 3.86Å; L145-Y303 HydrophobicContact CD2-CE2 3.54Å; L145-Y303 HydrophobicContact CD2-CG 3.72Å
146K97.9Very high98.2Very high126 Ų12634.3 Ų34.355%0.54818%0.181SC..Hα-helixtrans-58-31.9172.1-73.7176.5-178.6176.50112.6L142 P143 N144 F148 G149 V150L142-K146 WeakPolarHBondContact O-CG 3.26Å; L142-K146 PolarHBondContact O-N 3.27Å; L142-K146 VanDerWaalsContact O-N 3.08Å; P143-K146 WeakPolarHBondContact O-CB 3.43Å; P143-K146 PolarHBondContact O-N 3.35Å; N144-K146 VanDerWaalsContact C-N 3.33Å; N144-K146 PolarHBondContact O-N 3.2Å; K146-F148 PolarHBondContact O-N 2.83Å; K146-G149 PolarHBondContact O-N 3.27Å; K146-V150 WeakPolarHBondContact CA-O 3.46Å
147H97.5Very high98.1Very high53 Ų5337.7 Ų37.725%0.24520%0.197CC..THydrogen-bonded Turntrans-61.4-22.6174-67.8-83.4000113.3P143 N144 L145 D256P143-H147 PolarHBondContact O-CD2 2.82Å; N144-H147 WeakPolarHBondContact O-CB 3.38Å; N144-H147 PolarHBondContact O-CD2 2.82Å; N144-H147 PolarHBondContact O-N 3.42Å; L145-H147 PolarHBondContact O-N 2.79Å; H147-D256 PolarHBondContact NE2-O 2.94Å
148F98.4Very high98.1Very high1 Ų142.2 Ų42.20%0.00421%0.214CC..THydrogen-bonded Turntrans-96.45176.5-64-93.6000112.9L145 K146 V150 L179 N180 L184 L300 M304 A307L145-F148 HydrophobicContact CD2-CD2 4.48Å; L145-F148 WeakPolarHBondContact O-CA 3.35Å; L145-F148 WeakPolarHBondContact O-CB 3.04Å; L145-F148 PolarHBondContact O-N 3.23Å; K146-F148 PolarHBondContact O-N 2.83Å; F148-V150 VanDerWaalsContact C-N 3.33Å; F148-V150 HydrophobicContact CB-CG2 4.34Å; F148-L179 HydrophobicContact CB-CD2 4.4Å; F148-N180 WeakPolarHBondContact CA-O 3.37Å; F148-N180 WeakPolarHBondContact CD1-O 3.34Å; F148-N180 PolarHBondContact O-N 2.9Å; F148-L184 HydrophobicContact CE2-CD1 4.46Å; F148-L300 HydrophobicContact CE2-CD2 3.93Å; F148-M304 HydrophobicContact CE1-CG 3.9Å; F148-M304 HydrophobicContact CZ-CG 3.73Å; F148-A307 HydrophobicContact CD1-CB 4.17Å; F148-A307 HydrophobicContact CE1-CB 4.43Å
149G98Very high98.1Very high38 Ų3841 Ų4139%0.39221%0.208SC..THydrogen-bonded Turntrans76.918.3-175.100000113.9K146K146-G149 PolarHBondContact O-N 3.27Å
150V98.1Very high98.1Very high1 Ų136.2 Ų36.21%0.00619%0.185CC..  trans-98.3139.1-178170.80000110.7L112 L145 K146 F148 L179L112-V150 HydrophobicContact CD1-CB 4.43Å; L112-V150 HydrophobicContact CD1-CG1 3.89Å; L112-V150 HydrophobicContact CD1-CG2 3.64Å; L112-V150 HydrophobicContact CD2-CB 4.46Å; L112-V150 HydrophobicContact CD2-CG1 3.68Å; L112-V150 HydrophobicContact CD2-CG2 4.18Å; L112-V150 HydrophobicContact CG-CG1 4.44Å; L145-V150 HydrophobicContact CB-CB 3.96Å; L145-V150 HydrophobicContact CB-CG1 4Å; L145-V150 HydrophobicContact CD1-CG1 4.05Å; L145-V150 WeakPolarHBondContact O-CB 3.49Å; L145-V150 PolarHBondContact O-N 3.37Å; K146-V150 WeakPolarHBondContact CA-O 3.46Å; F148-V150 VanDerWaalsContact C-N 3.33Å; F148-V150 HydrophobicContact CB-CG2 4.34Å; V150-L179 HydrophobicContact CG2-CD2 3.2Å
151S95.2Very high97.9Very high66 Ų6636.5 Ų36.546%0.46219%0.186SC..  trans-140.8143.3171.4-169.90000110.2
152F98.1Very high97.7Very high8 Ų844.8 Ų44.84%0.03522%0.219CC..EExtended strand (participates in β ladder)trans-146159.4173.163.8-102.3000109.4L108 M137 L141 L142 L145 L154 L171 D172L108-F152 HydrophobicContact CD1-CB 4.41Å; L108-F152 HydrophobicContact CD1-CD1 4.15Å; L108-F152 HydrophobicContact CD2-CD1 3.82Å; L108-F152 HydrophobicContact CD2-CE1 3.8Å; M137-F152 WeakPolarHBondContact O-CZ 3.28Å; L141-F152 HydrophobicContact CD2-CE1 4.41Å; L141-F152 HydrophobicContact CD2-CZ 4.36Å; L141-F152 HydrophobicContact CG-CE1 4.44Å; L142-F152 HydrophobicContact CB-CE1 3.92Å; L142-F152 HydrophobicContact CB-CE2 4.13Å; L142-F152 HydrophobicContact CB-CZ 3.63Å; L142-F152 HydrophobicContact CD1-CD1 3.92Å; L142-F152 HydrophobicContact CD1-CE1 3.97Å; L142-F152 HydrophobicContact CD1-CG 4.22Å; L142-F152 HydrophobicContact CD1-CZ 4.31Å; L142-F152 HydrophobicContact CG-CZ 4.46Å; L145-F152 HydrophobicContact CD1-CE1 4.15Å; F152-L154 HydrophobicContact CD2-CB 4.05Å; F152-L154 HydrophobicContact CE2-CB 3.85Å; F152-L154 HydrophobicContact CE2-CD2 4.48Å; F152-L171 HydrophobicContact CB-CD1 4Å; F152-L171 HydrophobicContact CD2-CD1 3.26Å; F152-L171 HydrophobicContact CE2-CD1 3.84Å; F152-L171 HydrophobicContact CG-CD1 3.76Å; F152-D172 WeakPolarHBondContact CA-O 3.39Å; F152-D172 WeakPolarHBondContact CB-O 3.25Å
153D98.6Very high97.4Very high75 Ų7547.4 Ų47.440%0.40124%0.238SC..EExtended strand (participates in β ladder)trans-111.7125.3171.9179.845.3000109.5K155 L171 D172D153-K155 WeakPolarHBondContact OD2-CE 3.47Å; D153-K155 IonicContact OD2-NZ 3.2Å; D153-L171 CarbonylContact O-C 3.49Å; D153-L171 WeakPolarHBondContact O-CA 3.45Å; D153-D172 HydrophobicContact CB-CB 4.29Å; D153-D172 PolarHBondContact N-O 2.87Å; D153-D172 PolarHBondContact O-N 3.37Å
154L98.7Very high97.1Very high8 Ų852.9 Ų52.94%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-120.3114.5-178.917357.3000109.6Y104 M137 Q138 F152 C169 Q170 L171Y104-L154 HydrophobicContact CD2-CD1 4.37Å; Y104-L154 HydrophobicContact CE2-CD1 3.69Å; M137-L154 HydrophobicContact CB-CD2 3.62Å; M137-L154 HydrophobicContact SD-CD2 4.28Å; Q138-L154 HydrophobicContact CG-CB 4.16Å; Q138-L154 HydrophobicContact CG-CD2 3.85Å; Q138-L154 HydrophobicContact CG-CG 4.04Å; Q138-L154 PolarHBondContact NE2-O 2.88Å; F152-L154 HydrophobicContact CD2-CB 4.05Å; F152-L154 HydrophobicContact CE2-CB 3.85Å; F152-L154 HydrophobicContact CE2-CD2 4.48Å; L154-C169 HydrophobicContact CD1-CB 3.95Å; L154-Q170 CarbonylContact C-O 3.59Å; L154-Q170 WeakPolarHBondContact CA-O 3.47Å; L154-Q170 WeakPolarHBondContact CD1-O 3.22Å; L154-L171 HydrophobicContact CB-CD1 3.99Å; L154-L171 HydrophobicContact CD1-CB 4.47Å; L154-L171 HydrophobicContact CD1-CD1 4.36Å
155K98.5Very high96.9Very high105 Ų10553 Ų5346%0.45726%0.255SS..EExtended strand (participates in β ladder)trans-108.3120.7177.7-55.8-173.4-167.3-174.50110.9D153 Q157 C169 Q170D153-K155 WeakPolarHBondContact OD2-CE 3.47Å; D153-K155 IonicContact OD2-NZ 3.2Å; K155-Q157 PolarHBondContact O-N 3.21Å; K155-C169 CarbonylContact O-C 3.59Å; K155-C169 VanDerWaalsContact O-CA 3.28Å; K155-C169 WeakPolarHBondContact O-CA 3.4Å; K155-Q170 HydrophobicContact CB-CB 4.45Å; K155-Q170 PolarHBondContact N-O 3.29Å; K155-Q170 PolarHBondContact O-N 2.89Å
156V98.2Very high96.7Very high18 Ų1857 Ų5711%0.10927%0.274CS..EExtended strand (participates in β ladder)trans-85.2105170.3-171.90000109.1V134 Y159V134-V156 HydrophobicContact CB-CG2 3.96Å; V134-V156 HydrophobicContact CG2-CG1 4.4Å; V134-V156 HydrophobicContact CG2-CG2 3.66Å; V156-Y159 HydrophobicContact CG1-CD1 4.04Å; V156-Y159 HydrophobicContact CG1-CD2 4.05Å; V156-Y159 HydrophobicContact CG1-CE1 3.85Å; V156-Y159 HydrophobicContact CG1-CE2 3.87Å; V156-Y159 HydrophobicContact CG1-CG 4.15Å
157Q97.7Very high96.7Very high73 Ų7351 Ų5134%0.34125%0.248SC..EExtended strand (participates in β ladder)trans-78.7-42.7178.5-62179.5-21.500110.2K155 R168K155-Q157 PolarHBondContact O-N 3.21Å; Q157-R168 WeakPolarHBondContact CA-O 3.47Å; Q157-R168 HydrophobicContact CB-CB 4.38Å; Q157-R168 HydrophobicContact CB-CG 4.43Å; Q157-R168 WeakPolarHBondContact CB-O 3.47Å; Q157-R168 PolarHBondContact N-O 2.94Å; Q157-R168 VanDerWaalsContact OE1-CD 3.27Å; Q157-R168 VanDerWaalsContact OE1-CG 3.32Å
158R98Very high96.8Very high95 Ų9552.3 Ų52.336%0.35825%0.251SS..EExtended strand (participates in β ladder)trans-149137.9177.2-170.417066.1-164.9-1.1110.3Q166 G167 R168 K239R158-Q166 PolarHBondContact NE-O 3.07Å; R158-Q166 PolarHBondContact NH2-O 3.24Å; R158-G167 CarbonylContact O-C 3.52Å; R158-G167 WeakPolarHBondContact O-CA 3.47Å; R158-R168 HydrophobicContact CB-CB 4.45Å; R158-R168 PolarHBondContact N-O 3.48Å; R158-R168 VanDerWaalsContact N-O 3.08Å; R158-R168 PolarHBondContact O-N 3.27Å; R158-K239 CarbonylContact C-O 3.58Å; R158-K239 WeakPolarHBondContact CA-O 3.42Å; R158-K239 WeakPolarHBondContact CG-O 3.14Å
159Y98.1Very high96.8Very high31 Ų3152.2 Ų52.212%0.12225%0.25CS..BIsolated β-bridgetrans-78.3139.8172.9-72.2-83.2000111.7V134 E135 V156 F161 H235 K239V134-Y159 HydrophobicContact CG2-CD1 4.37Å; V134-Y159 HydrophobicContact CG2-CE1 3.83Å; E135-Y159 WeakPolarHBondContact OE1-CE1 3.36Å; E135-Y159 VanDerWaalsContact OE1-CZ 3.27Å; E135-Y159 PolarHBondContact OE1-OH 3.28Å; V156-Y159 HydrophobicContact CG1-CD1 4.04Å; V156-Y159 HydrophobicContact CG1-CD2 4.05Å; V156-Y159 HydrophobicContact CG1-CE1 3.85Å; V156-Y159 HydrophobicContact CG1-CE2 3.87Å; V156-Y159 HydrophobicContact CG1-CG 4.15Å; Y159-F161 HydrophobicContact CD1-CZ 4.3Å; Y159-F161 HydrophobicContact CG-CZ 4.28Å; Y159-H235 AromaticContact CD2-CD2 3.99Å; Y159-H235 AromaticContact CD2-CE1 3.83Å; Y159-H235 AromaticContact CD2-ND1 3.96Å; Y159-H235 AromaticContact CD2-NE2 3.85Å; Y159-H235 AromaticContact CE2-CE1 3.2Å; Y159-H235 WeakPolarHBondContact CE2-CE1 3.49Å; Y159-H235 AromaticContact CE2-ND1 3.65Å; Y159-H235 AromaticContact CE2-NE2 3.5Å; Y159-H235 WeakPolarHBondContact CE2-NE2 3.46Å; Y159-H235 AromaticContact CZ-CE1 3.57Å; Y159-H235 AromaticContact CZ-NE2 3.62Å; Y159-K239 PolarHBondContact N-O 3.09Å
160G97.5Very high96.8Very high1 Ų151.4 Ų51.41%0.0124%0.236CC..  trans-133.2123.518000000112G125 T126 N127 G165 G167G125-G160 CarbonylContact C-O 3.57Å; G125-G160 WeakPolarHBondContact CA-O 3.47Å; T126-G160 PolarHBondContact N-O 2.92Å; T126-G160 PolarHBondContact OG1-N 2.85Å; T126-G160 PolarHBondContact OG1-O 3.31Å; N127-G160 PolarHBondContact N-O 2.89Å; G160-G165 CarbonylContact C-O 3.58Å; G160-G165 WeakPolarHBondContact CA-O 3.35Å; G160-G167 VanDerWaalsContact CA-CA 3.45Å; G160-G167 VanDerWaalsContact CA-N 3.25Å
161F96.4Very high96.9Very high6 Ų651.3 Ų51.33%0.02624%0.236CC..BIsolated β-bridgetrans-118.5157.6-175.2-51.8-68.1000111N127 Y159 R164 G165 Y198 A200 A240 N243N127-F161 HydrophobicContact CB-CD1 3.91Å; N127-F161 HydrophobicContact CB-CE1 3.78Å; Y159-F161 HydrophobicContact CD1-CZ 4.3Å; Y159-F161 HydrophobicContact CG-CZ 4.28Å; F161-R164 PolarHBondContact O-N 3.2Å; F161-G165 PolarHBondContact N-O 3.3Å; F161-G165 WeakPolarHBondContact O-CA 3.23Å; F161-G165 PolarHBondContact O-N 3.22Å; F161-Y198 HydrophobicContact CE1-CD2 4.47Å; F161-Y198 AromaticContact CE1-CE2 3.68Å; F161-Y198 HydrophobicContact CE1-CE2 3.68Å; F161-Y198 HydrophobicContact CZ-CD2 4.26Å; F161-Y198 AromaticContact CZ-CE2 3.91Å; F161-Y198 HydrophobicContact CZ-CE2 3.91Å; F161-A200 HydrophobicContact CD2-CB 4.47Å; F161-A200 HydrophobicContact CE2-CB 3.58Å; F161-A200 HydrophobicContact CZ-CB 4.23Å; F161-A240 HydrophobicContact CE2-CB 4.04Å; F161-N243 WeakPolarHBondContact CB-O 3.2Å
162Y93.8Very high97Very high176 Ų17649.2 Ų49.269%0.6922%0.22SC*.THydrogen-bonded Turntrans-57.9144.5171.3-177.3-87.2000111A97A97-Y162 HydrophobicContact CB-CD2 4.21Å
163P92.1Very high97.1Very high85 Ų8548.9 Ų48.955%0.55222%0.218SC*.THydrogen-bonded Turncis-87.2-131.331.6-32.8000115.2A97A97-P163 WeakPolarHBondContact CB-O 3.37Å
164R92.5Very high97Very high145 Ų14550.1 Ų50.155%0.54722%0.222SC..THydrogen-bonded Turntrans-87.8-25.6-166.5-67.7178.8177.4-148.43.6113.6T96 F161 Q166 H242T96-R164 CarbonylContact C-O 3.59Å; F161-R164 PolarHBondContact O-N 3.2Å; R164-Q166 PolarHBondContact O-N 3.07Å; R164-H242 WeakPolarHBondContact CD-CE1 3.13Å; R164-H242 WeakPolarHBondContact CD-NE2 3.41Å; R164-H242 PolarHBondContact NH1-CE1 3.45Å
165G93.4Very high97Very high1 Ų151 Ų511%0.0123%0.228CC..BIsolated β-bridgetrans65.3-111.7-168.100000109.7G124 G160 F161 G167G124-G165 CarbonylContact O-C 3.52Å; G124-G165 WeakPolarHBondContact O-CA 3.24Å; G160-G165 CarbonylContact C-O 3.58Å; G160-G165 WeakPolarHBondContact CA-O 3.35Å; F161-G165 PolarHBondContact N-O 3.3Å; F161-G165 WeakPolarHBondContact O-CA 3.23Å; F161-G165 PolarHBondContact O-N 3.22Å; G165-G167 PolarHBondContact O-N 2.92Å
166Q95.1Very high97Very high84 Ų8447.1 Ų47.139%0.39321%0.213SC..  trans6113.2-175.3-53.7-174.5-0.300114.9G124 R158 R164G124-Q166 PolarHBondContact O-N 3.38Å; R158-Q166 PolarHBondContact NE-O 3.07Å; R158-Q166 PolarHBondContact NH2-O 3.24Å; R164-Q166 PolarHBondContact O-N 3.07Å
167G97.9Very high97Very high0 Ų050.2 Ų50.20%023%0.232CC..EExtended strand (participates in β ladder)trans-69.4165.4166.300000110.2S123 G124 R158 G160 G165S123-G167 CarbonylContact C-O 3.44Å; S123-G167 WeakPolarHBondContact CA-O 3.26Å; S123-G167 WeakPolarHBondContact CB-O 3.5Å; G124-G167 PolarHBondContact N-O 3.19Å; G124-G167 VanDerWaalsContact O-CA 3.28Å; G124-G167 WeakPolarHBondContact O-CA 3.34Å; G124-G167 PolarHBondContact O-N 2.97Å; R158-G167 CarbonylContact O-C 3.52Å; R158-G167 WeakPolarHBondContact O-CA 3.47Å; G160-G167 VanDerWaalsContact CA-CA 3.45Å; G160-G167 VanDerWaalsContact CA-N 3.25Å; G165-G167 PolarHBondContact O-N 2.92Å
168R98.4Very high97Very high81 Ų8151.3 Ų51.331%0.30624%0.235SC..EExtended strand (participates in β ladder)trans-150.4125.1179.1-173.1171.5167.6146.8-8109.5I121 V122 Q157 R158I121-R168 HydrophobicContact CG2-CG 4.39Å; V122-R168 WeakPolarHBondContact O-CA 3.41Å; Q157-R168 WeakPolarHBondContact CA-O 3.47Å; Q157-R168 HydrophobicContact CB-CB 4.38Å; Q157-R168 HydrophobicContact CB-CG 4.43Å; Q157-R168 WeakPolarHBondContact CB-O 3.47Å; Q157-R168 PolarHBondContact N-O 2.94Å; Q157-R168 VanDerWaalsContact OE1-CD 3.27Å; Q157-R168 VanDerWaalsContact OE1-CG 3.32Å; R158-R168 HydrophobicContact CB-CB 4.45Å; R158-R168 PolarHBondContact N-O 3.48Å; R158-R168 VanDerWaalsContact N-O 3.08Å; R158-R168 PolarHBondContact O-N 3.27Å
169C98.8Very high97.1Very high0 Ų046.8 Ų46.80%022%0.218CC..EExtended strand (participates in β ladder)trans-125157.8176.1-64.90000110.4I100 Y104 I121 V122 L154 K155I100-C169 HydrophobicContact CG2-CB 4.09Å; Y104-C169 HydrophobicContact CE2-CB 3.89Å; Y104-C169 VanDerWaalsContact OH-C 3.23Å; Y104-C169 WeakPolarHBondContact OH-CB 3.04Å; Y104-C169 PolarHBondContact OH-O 3.16Å; Y104-C169 VanDerWaalsContact OH-O 3.05Å; I121-C169 WeakPolarHBondContact CA-O 3.49Å; V122-C169 PolarHBondContact N-O 2.84Å; V122-C169 PolarHBondContact O-N 2.94Å; L154-C169 HydrophobicContact CD1-CB 3.95Å; K155-C169 CarbonylContact O-C 3.59Å; K155-C169 VanDerWaalsContact O-CA 3.28Å; K155-C169 WeakPolarHBondContact O-CA 3.4Å
170Q98.8Very high97.1Very high20 Ų2049.2 Ų49.29%0.09323%0.233CC..EExtended strand (participates in β ladder)trans-122.6127168.8178179.7-5400108.7R119 L120 I121 L154 K155 D172R119-Q170 HydrophobicContact CG-CG 4.01Å; L120-Q170 CarbonylContact O-C 3.34Å; L120-Q170 VanDerWaalsContact O-CA 3.26Å; L120-Q170 WeakPolarHBondContact O-CA 3.34Å; I121-Q170 HydrophobicContact CG1-CB 4.44Å; I121-Q170 HydrophobicContact CG1-CG 4.19Å; L154-Q170 CarbonylContact C-O 3.59Å; L154-Q170 WeakPolarHBondContact CA-O 3.47Å; L154-Q170 WeakPolarHBondContact CD1-O 3.22Å; K155-Q170 HydrophobicContact CB-CB 4.45Å; K155-Q170 PolarHBondContact N-O 3.29Å; K155-Q170 PolarHBondContact O-N 2.89Å; Q170-D172 PolarHBondContact NE2-OD2 3.45Å
171L98.8Very high97.1Very high0 Ų051 Ų510%025%0.246CC..EExtended strand (participates in β ladder)trans-113.6119.9172.5-176.973.6000108.8Y104 L108 R119 L120 F152 D153 L154 V173Y104-L171 HydrophobicContact CD1-CB 4.22Å; Y104-L171 HydrophobicContact CD1-CD2 3.89Å; Y104-L171 HydrophobicContact CD2-CB 4.43Å; Y104-L171 HydrophobicContact CD2-CD2 4.38Å; Y104-L171 HydrophobicContact CE1-CB 3.81Å; Y104-L171 HydrophobicContact CE1-CD2 4.33Å; Y104-L171 HydrophobicContact CE2-CB 4.05Å; Y104-L171 HydrophobicContact CG-CD2 3.92Å; L108-L171 HydrophobicContact CB-CD2 4.31Å; L108-L171 HydrophobicContact CD1-CD2 4.39Å; R119-L171 CarbonylContact C-O 3.6Å; R119-L171 WeakPolarHBondContact CA-O 3.26Å; L120-L171 HydrophobicContact CB-CB 4.28Å; L120-L171 HydrophobicContact CD1-CD2 4.23Å; L120-L171 PolarHBondContact N-O 2.61Å; L120-L171 PolarHBondContact O-N 2.8Å; F152-L171 HydrophobicContact CB-CD1 4Å; F152-L171 HydrophobicContact CD2-CD1 3.26Å; F152-L171 HydrophobicContact CE2-CD1 3.84Å; F152-L171 HydrophobicContact CG-CD1 3.76Å; D153-L171 CarbonylContact O-C 3.49Å; D153-L171 WeakPolarHBondContact O-CA 3.45Å; L154-L171 HydrophobicContact CB-CD1 3.99Å; L154-L171 HydrophobicContact CD1-CB 4.47Å; L154-L171 HydrophobicContact CD1-CD1 4.36Å; L171-V173 HydrophobicContact CD2-CG2 3.81Å; L171-V173 HydrophobicContact CG-CG2 3.83Å
172D98.8Very high97.1Very high22 Ų2250.8 Ų50.812%0.11825%0.245CC..EExtended strand (participates in β ladder)trans-103.5121.7172.4-69-74.8000109R119 F152 D153 Q170R119-D172 IonicContact CZ-OD1 2.86Å; R119-D172 IonicContact NE-OD1 2.69Å; R119-D172 PolarHBondContact NE-OD1 3.44Å; R119-D172 IonicContact NE-OD2 3.65Å; R119-D172 IonicContact NH2-OD1 3.87Å; R119-D172 PolarHBondContact NH2-OD1 3.11Å; R119-D172 IonicContact NH2-OD2 3.61Å; F152-D172 WeakPolarHBondContact CA-O 3.39Å; F152-D172 WeakPolarHBondContact CB-O 3.25Å; D153-D172 HydrophobicContact CB-CB 4.29Å; D153-D172 PolarHBondContact N-O 2.87Å; D153-D172 PolarHBondContact O-N 3.37Å; Q170-D172 PolarHBondContact NE2-OD2 3.45Å
173V98.7Very high97.3Very high1 Ų150 Ų501%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-115.4128.9-174.3-174.40000109.7L108 L111 L112 P117 S118 L171L108-V173 HydrophobicContact CD1-CB 4.43Å; L108-V173 HydrophobicContact CD1-CG1 3.8Å; L108-V173 HydrophobicContact CD1-CG2 3.71Å; L111-V173 HydrophobicContact CB-CB 4.16Å; L111-V173 HydrophobicContact CB-CG1 3.94Å; L111-V173 HydrophobicContact CB-CG2 4.41Å; L111-V173 HydrophobicContact CD1-CG2 4.25Å; L112-V173 HydrophobicContact CD2-CG1 3.74Å; L112-V173 HydrophobicContact CG-CG1 4.28Å; P117-V173 WeakPolarHBondContact CA-O 3.44Å; S118-V173 PolarHBondContact N-O 3.22Å; S118-V173 PolarHBondContact O-N 3.14Å; L171-V173 HydrophobicContact CD2-CG2 3.81Å; L171-V173 HydrophobicContact CG-CG2 3.83Å
174Q97.6Very high97.6Very high101 Ų10146.1 Ų46.147%0.47222%0.22SC..  trans-94.3131.2172-61.3-61-40.600109.2
175P98.2Very high97.9Very high27 Ų2741.2 Ų41.218%0.17521%0.206CC..  trans-71.6155.517735.3-39.1000110.3L112 A114 I361L112-P175 CarbonylContact O-C 3.4Å; L112-P175 WeakPolarHBondContact O-CA 3.37Å; A114-P175 WeakPolarHBondContact O-CB 3.43Å; P175-I361 HydrophobicContact CB-CD1 3.96Å; P175-I361 HydrophobicContact CG-CD1 4.16Å
176V98.5Very high98Very high22 Ų2244.2 Ų44.213%0.13323%0.23CC..  trans-121.7150.8177.9-59.90000109.7L112 K178 L179 N358L112-V176 HydrophobicContact CB-CG2 4.2Å; L112-V176 PolarHBondContact O-N 3.35Å; V176-K178 VanDerWaalsContact C-N 3.35Å; V176-L179 HydrophobicContact CG2-CD2 4.04Å; V176-L179 HydrophobicContact CG2-CG 4.47Å; V176-N358 WeakPolarHBondContact O-CB 3.4Å; V176-N358 PolarHBondContact O-ND2 2.98Å
177T98.2Very high98.2Very high83 Ų8340.6 Ų40.651%0.50921%0.213SC..SBendtrans-71.6-34.6173.151.90000111.6N358 I361T177-N358 PolarHBondContact O-N 3Å; T177-I361 HydrophobicContact CG2-CD1 4.28Å; T177-I361 HydrophobicContact CG2-CG2 4.29Å
178K98.4Very high98.1Very high97 Ų9742.4 Ų42.442%0.42223%0.232SC..BIsolated β-bridgetrans-162.2162.6177.865.2-169.1-174.4179.40109.7V176 V308V176-K178 VanDerWaalsContact C-N 3.35Å; K178-V308 HydrophobicContact CB-CG2 4.26Å; K178-V308 HydrophobicContact CD-CG2 4.07Å; K178-V308 HydrophobicContact CG-CG2 4.49Å
179L98.7Very high98.1Very high0 Ų047.6 Ų47.60%025%0.251CS..PPolyproline II helixtrans-92.7137.8169.5-65.6173.2000110.8L112 F113 F148 V150 V176 Y303 L306 A307 V308L112-L179 HydrophobicContact CD1-CD2 4.38Å; F113-L179 HydrophobicContact CE2-CD1 4.15Å; F113-L179 HydrophobicContact CZ-CD1 3.85Å; F113-L179 HydrophobicContact CZ-CG 3.9Å; F148-L179 HydrophobicContact CB-CD2 4.4Å; V150-L179 HydrophobicContact CG2-CD2 3.2Å; V176-L179 HydrophobicContact CG2-CD2 4.04Å; V176-L179 HydrophobicContact CG2-CG 4.47Å; L179-Y303 HydrophobicContact CD1-CD1 4.14Å; L179-L306 HydrophobicContact CD1-CB 3.8Å; L179-L306 HydrophobicContact CD1-CD1 4.5Å; L179-A307 HydrophobicContact CB-CB 4.09Å; L179-A307 WeakPolarHBondContact O-CA 3.17Å; L179-V308 PolarHBondContact O-N 2.99Å
180N98.5Very high98Very high81 Ų8148.8 Ų48.843%0.43326%0.257SS..BIsolated β-bridgetrans-80.8152.7172.5-64.4-37000110.7F148 G182 A307F148-N180 WeakPolarHBondContact CA-O 3.37Å; F148-N180 WeakPolarHBondContact CD1-O 3.34Å; F148-N180 PolarHBondContact O-N 2.9Å; N180-G182 PolarHBondContact O-N 3.06Å; N180-A307 WeakPolarHBondContact O-CB 3.31Å
181S98.2Very high97.9Very high39 Ų3955.1 Ų55.127%0.27329%0.285SS..PPolyproline II helixtrans-67.4129.9170.355.30000111.6V308 R310 S311S181-V308 VanDerWaalsContact CB-O 3.29Å; S181-V308 WeakPolarHBondContact CB-O 3.45Å; S181-V308 PolarHBondContact N-O 3.06Å; S181-R310 VanDerWaalsContact CB-O 3.26Å; S181-R310 WeakPolarHBondContact CB-O 3.43Å; S181-S311 WeakPolarHBondContact CA-OG 3.39Å
182G96.7Very high97.8Very high1 Ų157.1 Ų57.11%0.0130%0.298CS..PPolyproline II helixtrans-86136.2173.200000112.6N180 S311 T312N180-G182 PolarHBondContact O-N 3.06Å; G182-S311 PolarHBondContact N-OG 3.03Å; G182-S311 CarbonylContact O-C 3.26Å; G182-S311 VanDerWaalsContact O-CA 3.22Å; G182-S311 WeakPolarHBondContact O-CA 3.38Å; G182-T312 PolarHBondContact O-N 3.2Å
183K97.3Very high97.8Very high160 Ų16056.1 Ų56.170%0.69629%0.293SS*.EExtended strand (participates in β ladder)trans-122.688.4176-69-174.6-179.2178.90111
184L98.1Very high97.8Very high4 Ų458 Ų582%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-10766.7-176.3-66.9153.1000109.5F148 C291 V292 L300 T312 M313 R314F148-L184 HydrophobicContact CE2-CD1 4.46Å; L184-C291 HydrophobicContact CB-CB 4.23Å; L184-C291 WeakPolarHBondContact O-CB 3.43Å; L184-V292 HydrophobicContact CB-CG2 3.96Å; L184-V292 HydrophobicContact CD1-CG2 3.84Å; L184-V292 HydrophobicContact CG-CG2 4.4Å; L184-L300 HydrophobicContact CD1-CD1 3.63Å; L184-T312 PolarHBondContact N-O 3.15Å; L184-M313 HydrophobicContact CB-CB 4.12Å; L184-M313 CarbonylContact O-C 3.58Å; L184-M313 VanDerWaalsContact O-CA 3.32Å; L184-M313 WeakPolarHBondContact O-CA 3.36Å; L184-R314 PolarHBondContact O-N 3.26Å
185V97.9Very high97.8Very high42 Ų4254.1 Ų54.126%0.25529%0.294SS..  trans-116.5-43.1-172.4-175.70000112.3C291 T312 R314 L348V185-C291 PolarHBondContact O-SG 2.94Å; V185-T312 HydrophobicContact CG2-CG2 3.55Å; V185-R314 VanDerWaalsContact O-CZ 3.29Å; V185-R314 PolarHBondContact O-NH1 3.33Å; V185-L348 HydrophobicContact CG1-CD1 4.21Å; V185-L348 HydrophobicContact CG2-CD1 4.25Å
186A97.3Very high97.8Very high63 Ų6354 Ų5452%0.52129%0.292SS..  trans-84.4120.2-179.100000110.8S255 V257 C291A186-S255 WeakPolarHBondContact O-CB 3.5Å; A186-S255 PolarHBondContact O-OG 3.4Å; A186-V257 WeakPolarHBondContact O-CG2 3.46Å; A186-C291 VanDerWaalsContact C-SG 3.51Å
187F97.8Very high97.9Very high9 Ų953 Ų534%0.03929%0.286CS..  trans-72.8-33175.8-177.4-104.6000112.6I190 T253 S255 V257 L259 Q289 V290 C291F187-I190 HydrophobicContact CE1-CG1 4.25Å; F187-I190 HydrophobicContact CZ-CG1 4.28Å; F187-T253 HydrophobicContact CD2-CG2 4.12Å; F187-T253 HydrophobicContact CE1-CG2 4.33Å; F187-T253 HydrophobicContact CE2-CG2 3.81Å; F187-T253 HydrophobicContact CZ-CG2 3.92Å; F187-T253 WeakPolarHBondContact O-CB 3.46Å; F187-T253 VanDerWaalsContact O-CG2 3.27Å; F187-T253 WeakPolarHBondContact O-CG2 3.27Å; F187-T253 PolarHBondContact O-OG1 3.08Å; F187-S255 PolarHBondContact O-OG 3.48Å; F187-V257 HydrophobicContact CD2-CG1 4.35Å; F187-L259 HydrophobicContact CE2-CD1 4Å; F187-Q289 HydrophobicContact CB-CB 3.79Å; F187-Q289 HydrophobicContact CD1-CB 3.76Å; F187-Q289 HydrophobicContact CD1-CG 3.62Å; F187-Q289 HydrophobicContact CD2-CB 4.22Å; F187-Q289 HydrophobicContact CE1-CB 4.4Å; F187-Q289 HydrophobicContact CE1-CG 3.99Å; F187-Q289 HydrophobicContact CG-CB 3.65Å; F187-Q289 HydrophobicContact CG-CG 4.07Å; F187-V290 WeakPolarHBondContact CD2-O 3.18Å; F187-C291 PolarHBondContact N-SG 3.36Å
188G97.2Very high97.9Very high37 Ų3749.2 Ų49.238%0.38126%0.262SS..  trans66.9-146.7-177.200000112.3S255G188-S255 PolarHBondContact N-OG 3.37Å
189R96.8Very high97.9Very high190 Ų19044.6 Ų44.672%0.71724%0.242SC*.  trans-112.3149.2175.3-62.4-178.6-64.3-166.20.4109.8K191 T253 T254R189-K191 PolarHBondContact O-N 2.99Å; R189-T253 CarbonylContact O-C 3.45Å; R189-T253 WeakPolarHBondContact O-CA 3.14Å; R189-T253 VanDerWaalsContact O-CB 3.24Å; R189-T253 WeakPolarHBondContact O-CB 3.38Å; R189-T254 HydrophobicContact CB-CG2 4.13Å; R189-T254 PolarHBondContact N-OG1 3.18Å; R189-T254 PolarHBondContact O-N 2.82Å
190I97.7Very high97.8Very high25 Ų2544.6 Ų44.613%0.12824%0.242CC..EExtended strand (participates in β ladder)trans-60124.6172.3-62.2153.5000108.5F187 V193 W223 Q226 V251 M286F187-I190 HydrophobicContact CE1-CG1 4.25Å; F187-I190 HydrophobicContact CZ-CG1 4.28Å; I190-V193 HydrophobicContact CG2-CG2 4.15Å; I190-W223 HydrophobicContact CD1-CG 4.45Å; I190-Q226 HydrophobicContact CB-CG 4.41Å; I190-Q226 HydrophobicContact CD1-CG 4.42Å; I190-Q226 HydrophobicContact CG2-CG 4.1Å; I190-V251 HydrophobicContact CB-CG2 4.47Å; I190-V251 HydrophobicContact CG1-CG2 4.12Å; I190-V251 HydrophobicContact CG2-CG2 3.87Å; I190-M286 HydrophobicContact CD1-CE 3.34Å; I190-M286 HydrophobicContact CG1-CE 4.03Å; I190-M286 HydrophobicContact CG2-CE 4.48Å
191K96.5Very high97.6Very high154 Ų15442.1 Ų42.167%0.6724%0.236SC*.EExtended strand (participates in β ladder)trans-94.9-44.2175.5-179.3-176.7178.3-177.90110.6R189 N252R189-K191 PolarHBondContact O-N 2.99Å; K191-N252 WeakPolarHBondContact CA-O 3.31Å; K191-N252 WeakPolarHBondContact CB-O 3.48Å; K191-N252 PolarHBondContact N-O 3.13Å
192S97Very high97.4Very high41 Ų4151.3 Ų51.329%0.28727%0.265SS..EExtended strand (participates in β ladder)trans-158.9149.7177.558.50000111.5V251 N252S192-V251 WeakPolarHBondContact O-CA 3.49Å; S192-N252 PolarHBondContact N-O 3.07Å; S192-N252 PolarHBondContact O-N 3.19Å
193V98.5Very high97.4Very high2 Ų252.4 Ų52.41%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-111.9126.5162.8-177.20000107.6I190 I219 Q227 C228 S229 M249 T250 V251 L282 M286I190-V193 HydrophobicContact CG2-CG2 4.15Å; V193-I219 HydrophobicContact CB-CG2 4.49Å; V193-I219 HydrophobicContact CG1-CG1 4.4Å; V193-I219 HydrophobicContact CG1-CG2 4.44Å; V193-I219 HydrophobicContact CG2-CG2 4.32Å; V193-Q227 PolarHBondContact N-O 3.13Å; V193-C228 HydrophobicContact CB-CB 4.22Å; V193-C228 HydrophobicContact CG1-CB 4.37Å; V193-C228 VanDerWaalsContact O-CA 3.31Å; V193-C228 WeakPolarHBondContact O-CA 3.21Å; V193-S229 PolarHBondContact O-N 2.9Å; V193-M249 HydrophobicContact CG1-CE 4.2Å; V193-T250 WeakPolarHBondContact CA-O 3.47Å; V193-V251 HydrophobicContact CG2-CB 4.43Å; V193-V251 HydrophobicContact CG2-CG2 4.15Å; V193-L282 HydrophobicContact CG1-CD2 3.87Å; V193-M286 HydrophobicContact CG2-CE 3.86Å; V193-M286 HydrophobicContact CG2-SD 4.3Å
194S98.4Very high97.3Very high40 Ų4048.1 Ų48.128%0.2826%0.259SS..EExtended strand (participates in β ladder)trans-142.7169.9-178.456.60000111.6S229 M249 T250S194-S229 CarbonylContact C-O 3.48Å; S194-S229 WeakPolarHBondContact CA-O 3.39Å; S194-M249 CarbonylContact O-C 3.58Å; S194-M249 WeakPolarHBondContact O-CA 3.5Å; S194-T250 PolarHBondContact N-O 3.38Å; S194-T250 PolarHBondContact O-N 2.85Å; S194-T250 PolarHBondContact O-OG1 2.99Å; S194-T250 PolarHBondContact OG-OG1 2.81Å
195G98.4Very high97.3Very high20 Ų2050.7 Ų50.721%0.20627%0.274CS..EExtended strand (participates in β ladder)trans172.6-178.2177.500000113.9S229 I230 E231 L248G195-S229 PolarHBondContact N-O 2.91Å; G195-I230 CarbonylContact O-C 3.5Å; G195-I230 WeakPolarHBondContact O-CA 3.42Å; G195-E231 PolarHBondContact O-N 2.8Å; G195-L248 CarbonylContact C-O 3.56Å; G195-L248 WeakPolarHBondContact CA-O 2.98Å
196V98.6Very high97.3Very high24 Ų2453.2 Ų53.215%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-131.8128.9177.861.50000109.1E135 E231 I233 I247 L248E135-V196 HydrophobicContact CG-CG1 4.11Å; V196-E231 WeakPolarHBondContact CA-O 3.4Å; V196-I233 HydrophobicContact CG2-CB 4.44Å; V196-I233 HydrophobicContact CG2-CD1 3.45Å; V196-I233 VanDerWaalsContact CG2-CD1 3.45Å; V196-I233 HydrophobicContact CG2-CG1 3.86Å; V196-I247 CarbonylContact O-C 3.47Å; V196-I247 VanDerWaalsContact O-CA 3.3Å; V196-I247 WeakPolarHBondContact O-CA 3.5Å; V196-L248 HydrophobicContact CG1-CB 4.39Å; V196-L248 PolarHBondContact N-O 2.83Å; V196-L248 PolarHBondContact O-N 2.94Å
197A98.8Very high97.3Very high0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-108.5121.616900000107.5A208 M211 Q212 I230 E231 P232 I233 G246 I247A197-A208 HydrophobicContact CB-CB 4.5Å; A197-A208 WeakPolarHBondContact CB-O 3.22Å; A197-M211 HydrophobicContact CB-CB 3.8Å; A197-M211 HydrophobicContact CB-CE 4.38Å; A197-Q212 HydrophobicContact CB-CB 4.47Å; A197-I230 HydrophobicContact CB-CG2 3.88Å; A197-E231 PolarHBondContact N-O 2.97Å; A197-P232 CarbonylContact O-C 3.6Å; A197-P232 VanDerWaalsContact O-CA 3.27Å; A197-P232 WeakPolarHBondContact O-CA 3.21Å; A197-I233 PolarHBondContact O-N 2.83Å; A197-G246 CarbonylContact C-O 3.47Å; A197-G246 WeakPolarHBondContact CA-O 3.36Å; A197-I247 HydrophobicContact CB-CB 4.3Å; A197-I247 HydrophobicContact CB-CD1 4.21Å; A197-I247 HydrophobicContact CB-CG1 4.12Å
198Y98.5Very high97.4Very high4 Ų450.6 Ų50.62%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-123152.8-174.363.4-90.9000112.4N127 F161 M211 I233 H235 A245 G246 L264N127-Y198 WeakPolarHBondContact CB-OH 3.34Å; N127-Y198 PolarHBondContact ND2-OH 2.78Å; F161-Y198 HydrophobicContact CE1-CD2 4.47Å; F161-Y198 AromaticContact CE1-CE2 3.68Å; F161-Y198 HydrophobicContact CE1-CE2 3.68Å; F161-Y198 HydrophobicContact CZ-CD2 4.26Å; F161-Y198 AromaticContact CZ-CE2 3.91Å; F161-Y198 HydrophobicContact CZ-CE2 3.91Å; Y198-M211 VanDerWaalsContact O-CE 3.3Å; Y198-M211 WeakPolarHBondContact O-CE 3.28Å; Y198-I233 CarbonylContact C-O 3.55Å; Y198-I233 VanDerWaalsContact CA-O 3.24Å; Y198-I233 WeakPolarHBondContact CA-O 3.13Å; Y198-H235 AromaticContact CG-NE2 3.91Å; Y198-A245 WeakPolarHBondContact O-CA 3.48Å; Y198-A245 WeakPolarHBondContact O-CB 3.39Å; Y198-G246 VanDerWaalsContact CD1-O 3.28Å; Y198-G246 WeakPolarHBondContact CD1-O 3.46Å; Y198-G246 WeakPolarHBondContact CE1-O 3.4Å; Y198-G246 PolarHBondContact N-O 2.74Å; Y198-G246 PolarHBondContact O-N 2.69Å; Y198-G246 VanDerWaalsContact O-N 3.07Å; Y198-L264 WeakPolarHBondContact OH-CD1 3.37Å
199C98Very high97.5Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-137.6159.3163.970.60000110.6L203 A208 I233 K234 H235 G244 A245C199-L203 HydrophobicContact CB-CB 4.27Å; C199-A208 HydrophobicContact CB-CB 4.36Å; C199-I233 PolarHBondContact N-O 2.74Å; C199-K234 WeakPolarHBondContact O-CA 3.35Å; C199-H235 PolarHBondContact O-N 2.98Å; C199-G244 CarbonylContact C-O 3.56Å; C199-G244 VanDerWaalsContact CA-O 3.31Å; C199-G244 WeakPolarHBondContact CA-O 3.39Å; C199-A245 HydrophobicContact CB-CB 4.25Å
200A97.4Very high97.6Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-147.1165.1-176.100000112.5F161 L203 H235 A240 H242 N243 G244F161-A200 HydrophobicContact CD2-CB 4.47Å; F161-A200 HydrophobicContact CE2-CB 3.58Å; F161-A200 HydrophobicContact CZ-CB 4.23Å; A200-L203 WeakPolarHBondContact O-CB 3.05Å; A200-L203 WeakPolarHBondContact O-CG 3.48Å; A200-L203 PolarHBondContact O-N 2.89Å; A200-H235 HydrophobicContact CB-CB 4.29Å; A200-A240 HydrophobicContact CB-CB 3.47Å; A200-A240 VanDerWaalsContact CB-CB 3.47Å; A200-H242 WeakPolarHBondContact CB-O 3.23Å; A200-N243 WeakPolarHBondContact O-CA 3.43Å; A200-G244 PolarHBondContact N-O 3.23Å
201G94.7Very high97.6Very high29 Ų2942.8 Ų42.830%0.29923%0.228SC..THydrogen-bonded Turntrans68.9-134.8177.400000112.6L203G201-L203 PolarHBondContact O-N 2.77Å
202R94.8Very high97.7Very high232 Ų23237.3 Ų37.388%0.87520%0.204SC*.THydrogen-bonded Turntrans-80.5-2.8-179.1-62.8-177.5-177167.1-0.2113.3N243R202-N243 PolarHBondContact N-OD1 2.79Å
203L95.7Very high97.8Very high24 Ų2440 Ų4013%0.12621%0.212CC..  trans-66.2136.8-179.6-64-178.5000111.1C199 A200 G201 I207 K234 N243 A245 I269C199-L203 HydrophobicContact CB-CB 4.27Å; A200-L203 WeakPolarHBondContact O-CB 3.05Å; A200-L203 WeakPolarHBondContact O-CG 3.48Å; A200-L203 PolarHBondContact O-N 2.89Å; G201-L203 PolarHBondContact O-N 2.77Å; L203-I207 HydrophobicContact CB-CD1 4.08Å; L203-I207 HydrophobicContact CD1-CD1 4.45Å; L203-I207 HydrophobicContact CD2-CD1 3.94Å; L203-I207 HydrophobicContact CG-CD1 4.37Å; L203-K234 PolarHBondContact O-NZ 2.8Å; L203-N243 HydrophobicContact CD1-CB 4.26Å; L203-N243 HydrophobicContact CG-CB 4.14Å; L203-A245 HydrophobicContact CD1-CB 3.95Å; L203-I269 HydrophobicContact CD1-CD1 3.55Å; L203-I269 HydrophobicContact CD2-CD1 4.33Å
204P95.8Very high97.8Very high70 Ų7040 Ų4046%0.45521%0.212SC..  trans-68.3148174.528.6-34.4000110.8N206 I207P204-N206 PolarHBondContact O-N 3.08Å; P204-I207 HydrophobicContact CG-CD1 4.09Å; P204-I207 HydrophobicContact CG-CG1 4.22Å; P204-I207 PolarHBondContact O-N 3.41Å
205V97.4Very high97.8Very high58 Ų5838.1 Ų38.135%0.35220%0.199SC..THydrogen-bonded Turntrans-60.6-26.6178.665.10000112.3I207 A208 I209 K234V205-I207 PolarHBondContact O-N 2.88Å; V205-I207 VanDerWaalsContact O-N 3.11Å; V205-A208 WeakPolarHBondContact O-CB 3.49Å; V205-A208 PolarHBondContact O-N 2.82Å; V205-I209 HydrophobicContact CG1-CD1 4.26Å; V205-I209 HydrophobicContact CG2-CD1 4.26Å; V205-I209 HydrophobicContact CG2-CG1 4.44Å; V205-I209 PolarHBondContact O-N 2.97Å; V205-K234 HydrophobicContact CB-CB 4.35Å; V205-K234 HydrophobicContact CB-CD 4Å; V205-K234 HydrophobicContact CG2-CB 4.08Å
206N98.2Very high97.8Very high96 Ų9639.7 Ų39.751%0.51320%0.201SC..Hα-helixtrans-54-32.9177.6-66.36.6000112.5P204 A208 I209 D210P204-N206 PolarHBondContact O-N 3.08Å; N206-A208 VanDerWaalsContact C-N 3.28Å; N206-A208 PolarHBondContact O-N 3.2Å; N206-I209 CarbonylContact O-C 3.55Å; N206-I209 PolarHBondContact O-N 2.91Å; N206-D210 WeakPolarHBondContact O-CB 3.49Å; N206-D210 PolarHBondContact O-N 2.83Å; N206-D210 VanDerWaalsContact O-OD2 3.1Å
207I98.2Very high97.8Very high17 Ų1745.2 Ų45.29%0.08722%0.22CC..Hα-helixtrans-57.3-42.5175.5-71.7170.9000111.6L203 P204 V205 M211 A245 I269L203-I207 HydrophobicContact CB-CD1 4.08Å; L203-I207 HydrophobicContact CD1-CD1 4.45Å; L203-I207 HydrophobicContact CD2-CD1 3.94Å; L203-I207 HydrophobicContact CG-CD1 4.37Å; P204-I207 HydrophobicContact CG-CD1 4.09Å; P204-I207 HydrophobicContact CG-CG1 4.22Å; P204-I207 PolarHBondContact O-N 3.41Å; V205-I207 PolarHBondContact O-N 2.88Å; V205-I207 VanDerWaalsContact O-N 3.11Å; I207-M211 HydrophobicContact CG2-CE 3.87Å; I207-M211 WeakPolarHBondContact O-CE 3.47Å; I207-M211 WeakPolarHBondContact O-CG 3.48Å; I207-M211 PolarHBondContact O-N 3.48Å; I207-A245 HydrophobicContact CG2-CB 3.85Å; I207-I269 HydrophobicContact CD1-CB 4.43Å; I207-I269 HydrophobicContact CD1-CG2 4.35Å; I207-I269 HydrophobicContact CG2-CG2 3.62Å
208A98.6Very high97.8Very high0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-70.7-35.9176.400000112.5A197 C199 V205 N206 M211 Q212 P232A197-A208 HydrophobicContact CB-CB 4.5Å; A197-A208 WeakPolarHBondContact CB-O 3.22Å; C199-A208 HydrophobicContact CB-CB 4.36Å; V205-A208 WeakPolarHBondContact O-CB 3.49Å; V205-A208 PolarHBondContact O-N 2.82Å; N206-A208 VanDerWaalsContact C-N 3.28Å; N206-A208 PolarHBondContact O-N 3.2Å; A208-M211 HydrophobicContact CB-CE 4.35Å; A208-Q212 WeakPolarHBondContact O-CB 3.41Å; A208-Q212 PolarHBondContact O-N 3.25Å; A208-P232 HydrophobicContact CB-CB 4.21Å
209I98.8Very high97.8Very high46 Ų4646.9 Ų46.924%0.23623%0.227CC..Hα-helixtrans-67.9-42.1176.8-62171000110.8V205 N206 M211 Q212 Q213 P232V205-I209 HydrophobicContact CG1-CD1 4.26Å; V205-I209 HydrophobicContact CG2-CD1 4.26Å; V205-I209 HydrophobicContact CG2-CG1 4.44Å; V205-I209 PolarHBondContact O-N 2.97Å; N206-I209 CarbonylContact O-C 3.55Å; N206-I209 PolarHBondContact O-N 2.91Å; I209-M211 VanDerWaalsContact C-N 3.33Å; I209-M211 PolarHBondContact O-N 3.18Å; I209-Q212 WeakPolarHBondContact O-CB 3.41Å; I209-Q212 PolarHBondContact O-N 3.46Å; I209-Q213 HydrophobicContact CG2-CG 4.14Å; I209-Q213 WeakPolarHBondContact O-CB 3.34Å; I209-Q213 WeakPolarHBondContact O-CG 3.42Å; I209-Q213 PolarHBondContact O-N 3.18Å; I209-P232 HydrophobicContact CG1-CB 4.23Å
210D98.8Very high97.7Very high42 Ų4252.3 Ų52.323%0.22525%0.252CS..Hα-helixtrans-64.1-39.7179-63.3-24.4000110.9N206 T214 H272N206-D210 WeakPolarHBondContact O-CB 3.49Å; N206-D210 PolarHBondContact O-N 2.83Å; N206-D210 VanDerWaalsContact O-OD2 3.1Å; D210-T214 VanDerWaalsContact O-CB 3.24Å; D210-T214 WeakPolarHBondContact O-CB 3.29Å; D210-T214 PolarHBondContact O-N 3.44Å; D210-T214 VanDerWaalsContact O-N 3.08Å; D210-T214 PolarHBondContact O-OG1 2.84Å; D210-H272 IonicContact OD1-CE1 3.63Å
211M98.8Very high97.7Very high0 Ų061 Ų610%029%0.285CS..Hα-helixtrans-59.9-51.9170.8-76.7-172.7-74.800111.4A197 Y198 I207 A208 I209 T214 A215 A245 G246 I247 G271 L274A197-M211 HydrophobicContact CB-CB 3.8Å; A197-M211 HydrophobicContact CB-CE 4.38Å; Y198-M211 VanDerWaalsContact O-CE 3.3Å; Y198-M211 WeakPolarHBondContact O-CE 3.28Å; I207-M211 HydrophobicContact CG2-CE 3.87Å; I207-M211 WeakPolarHBondContact O-CE 3.47Å; I207-M211 WeakPolarHBondContact O-CG 3.48Å; I207-M211 PolarHBondContact O-N 3.48Å; A208-M211 HydrophobicContact CB-CE 4.35Å; I209-M211 VanDerWaalsContact C-N 3.33Å; I209-M211 PolarHBondContact O-N 3.18Å; M211-T214 PolarHBondContact O-N 2.71Å; M211-A215 VanDerWaalsContact O-CB 3.3Å; M211-A215 WeakPolarHBondContact O-CB 3.14Å; M211-A215 PolarHBondContact O-N 3.09Å; M211-A245 HydrophobicContact CE-CB 4.17Å; M211-G246 WeakPolarHBondContact CE-O 3.45Å; M211-G246 VanDerWaalsContact SD-C 3.54Å; M211-I247 HydrophobicContact CB-CB 4.48Å; M211-I247 HydrophobicContact CB-CD1 4.29Å; M211-I247 HydrophobicContact SD-CB 3.96Å; M211-I247 HydrophobicContact SD-CG2 4.14Å; M211-G271 VanDerWaalsContact CA-O 3.23Å; M211-G271 WeakPolarHBondContact CA-O 3.32Å; M211-G271 WeakPolarHBondContact CG-O 3.06Å; M211-G271 PolarHBondContact N-O 2.81Å; M211-L274 HydrophobicContact CG-CB 3.78Å; M211-L274 HydrophobicContact CG-CD1 4.48Å; M211-L274 HydrophobicContact SD-CB 3.64Å; M211-L274 HydrophobicContact SD-CD1 3.61Å; M211-L274 HydrophobicContact SD-CG 4.31Å
212Q98.8Very high97.8Very high38 Ų3863 Ų6318%0.17829%0.289CS..Hα-helixtrans-56.3-55.4-180-172.2-147.517.500111.7A197 A208 I209 T214 A215 Q216 I230 P232A197-Q212 HydrophobicContact CB-CB 4.47Å; A208-Q212 WeakPolarHBondContact O-CB 3.41Å; A208-Q212 PolarHBondContact O-N 3.25Å; I209-Q212 WeakPolarHBondContact O-CB 3.41Å; I209-Q212 PolarHBondContact O-N 3.46Å; Q212-T214 VanDerWaalsContact C-N 3.34Å; Q212-T214 PolarHBondContact O-N 3.03Å; Q212-A215 PolarHBondContact O-N 3.44Å; Q212-Q216 WeakPolarHBondContact O-CB 3.46Å; Q212-Q216 WeakPolarHBondContact O-CG 3.22Å; Q212-Q216 PolarHBondContact O-N 2.95Å; Q212-I230 HydrophobicContact CB-CB 4.4Å; Q212-I230 HydrophobicContact CB-CG2 4.16Å; Q212-I230 HydrophobicContact CG-CB 3.69Å; Q212-I230 HydrophobicContact CG-CG2 3.91Å; Q212-I230 VanDerWaalsContact CG-O 3.26Å; Q212-I230 WeakPolarHBondContact CG-O 3.36Å; Q212-I230 PolarHBondContact NE2-O 3.5Å; Q212-P232 HydrophobicContact CB-CB 4.37Å; Q212-P232 HydrophobicContact CG-CG 4.48Å
213Q98.6Very high97.9Very high98 Ų9854.2 Ų54.246%0.45826%0.256SS..Hα-helixtrans-62.8-40.7-177.1-71.2179.3-1.500111.9I209 R217I209-Q213 HydrophobicContact CG2-CG 4.14Å; I209-Q213 WeakPolarHBondContact O-CB 3.34Å; I209-Q213 WeakPolarHBondContact O-CG 3.42Å; I209-Q213 PolarHBondContact O-N 3.18Å; Q213-R217 WeakPolarHBondContact O-CB 3.47Å; Q213-R217 PolarHBondContact O-N 2.81Å
214T98.7Very high97.9Very high2 Ų257.1 Ų57.11%0.01228%0.276CS..Hα-helixtrans-66.2-49.7179.5-58.30000111.1D210 M211 Q212 Q216 R217 E218 H272D210-T214 VanDerWaalsContact O-CB 3.24Å; D210-T214 WeakPolarHBondContact O-CB 3.29Å; D210-T214 PolarHBondContact O-N 3.44Å; D210-T214 VanDerWaalsContact O-N 3.08Å; D210-T214 PolarHBondContact O-OG1 2.84Å; M211-T214 PolarHBondContact O-N 2.71Å; Q212-T214 VanDerWaalsContact C-N 3.34Å; Q212-T214 PolarHBondContact O-N 3.03Å; T214-Q216 PolarHBondContact O-N 3.12Å; T214-R217 PolarHBondContact O-N 3.07Å; T214-R217 PolarHBondContact OG1-NH2 2.97Å; T214-E218 WeakPolarHBondContact O-CG 3.37Å; T214-E218 PolarHBondContact O-N 3.3Å; T214-H272 WeakPolarHBondContact CG2-O 3.49Å; T214-H272 PolarHBondContact OG1-ND1 2.83Å
215A98.7Very high97.8Very high0 Ų059.1 Ų59.10%029%0.291CS..Hα-helixtrans-60.3-46.5178.800000112.2M211 Q212 E218 I219 I230 I247 M249M211-A215 VanDerWaalsContact O-CB 3.3Å; M211-A215 WeakPolarHBondContact O-CB 3.14Å; M211-A215 PolarHBondContact O-N 3.09Å; Q212-A215 PolarHBondContact O-N 3.44Å; A215-E218 PolarHBondContact O-N 3.1Å; A215-I219 WeakPolarHBondContact O-CG1 3.45Å; A215-I219 PolarHBondContact O-N 2.98Å; A215-I230 HydrophobicContact CB-CG1 4.45Å; A215-I247 HydrophobicContact CB-CD1 3.81Å; A215-M249 HydrophobicContact CB-CE 3.87Å; A215-M249 HydrophobicContact CB-SD 3.62Å
216Q98.6Very high97.5Very high53 Ų5358.6 Ų58.625%0.24829%0.285CS..Hα-helixtrans-63.8-43.5178.6-72.9-179.1-62.700112.1Q212 T214 E218 I219 H220 C228 I230Q212-Q216 WeakPolarHBondContact O-CB 3.46Å; Q212-Q216 WeakPolarHBondContact O-CG 3.22Å; Q212-Q216 PolarHBondContact O-N 2.95Å; T214-Q216 PolarHBondContact O-N 3.12Å; Q216-E218 PolarHBondContact O-N 3.06Å; Q216-I219 PolarHBondContact O-N 3.38Å; Q216-H220 VanDerWaalsContact O-CB 3.28Å; Q216-H220 WeakPolarHBondContact O-CB 3.4Å; Q216-H220 PolarHBondContact O-N 3.04Å; Q216-C228 HydrophobicContact CG-CB 4.45Å; Q216-C228 PolarHBondContact NE2-O 3.32Å; Q216-I230 HydrophobicContact CG-CB 4.3Å; Q216-I230 HydrophobicContact CG-CG1 3.88Å
217R98.2Very high97.2Very high141 Ų14161.7 Ų61.753%0.53230%0.297SS..Hα-helixtrans-59.7-45.4176.9177.7-177.762.6-133.6-3.1111.6Q213 T214 R221Q213-R217 WeakPolarHBondContact O-CB 3.47Å; Q213-R217 PolarHBondContact O-N 2.81Å; T214-R217 PolarHBondContact O-N 3.07Å; T214-R217 PolarHBondContact OG1-NH2 2.97Å; R217-R221 WeakPolarHBondContact O-CB 3.26Å; R217-R221 PolarHBondContact O-N 2.84Å
218E98.3Very high97.1Very high37 Ų3761.7 Ų61.717%0.17330%0.298CS..Hα-helixtrans-68.2-42-178.8-74.1-172.6-169.600112.9T214 A215 Q216 R221 L222 S276 S279T214-E218 WeakPolarHBondContact O-CG 3.37Å; T214-E218 PolarHBondContact O-N 3.3Å; A215-E218 PolarHBondContact O-N 3.1Å; Q216-E218 PolarHBondContact O-N 3.06Å; E218-R221 PolarHBondContact O-N 3.45Å; E218-L222 PolarHBondContact O-N 2.9Å; E218-S276 VanDerWaalsContact OE1-CB 3.24Å; E218-S276 WeakPolarHBondContact OE1-CB 3.45Å; E218-S276 PolarHBondContact OE1-OG 2.86Å; E218-S279 VanDerWaalsContact CD-OG 3.3Å; E218-S279 PolarHBondContact OE2-OG 2.81Å
219I98.1Very high97.1Very high1 Ų164.9 Ų64.91%0.00532%0.32CS..Hα-helixtrans-63.5-47.3174.3-67.7-57.2000110.5V193 A215 Q216 R221 L222 W223 C228 M249 M286V193-I219 HydrophobicContact CB-CG2 4.49Å; V193-I219 HydrophobicContact CG1-CG1 4.4Å; V193-I219 HydrophobicContact CG1-CG2 4.44Å; V193-I219 HydrophobicContact CG2-CG2 4.32Å; A215-I219 WeakPolarHBondContact O-CG1 3.45Å; A215-I219 PolarHBondContact O-N 2.98Å; Q216-I219 PolarHBondContact O-N 3.38Å; I219-R221 VanDerWaalsContact C-N 3.27Å; I219-R221 PolarHBondContact O-N 2.94Å; I219-L222 PolarHBondContact O-N 2.94Å; I219-L222 VanDerWaalsContact O-N 3.15Å; I219-W223 HydrophobicContact CD1-CE3 4.14Å; I219-W223 HydrophobicContact CD1-CZ3 3.95Å; I219-W223 HydrophobicContact CG2-CE3 4.39Å; I219-W223 PolarHBondContact O-N 3.46Å; I219-C228 HydrophobicContact CB-CB 4.13Å; I219-C228 HydrophobicContact CG2-CB 3.73Å; I219-M249 HydrophobicContact CD1-CE 4.19Å; I219-M249 HydrophobicContact CG1-CE 3.65Å; I219-M286 HydrophobicContact CD1-SD 4.37Å
220H97.5Very high97.1Very high114 Ų11462.8 Ų62.853%0.52831%0.31SS..Hα-helixtrans-60.8-36.8179.1-17669.2000112.1Q216 L222 W223 P224Q216-H220 VanDerWaalsContact O-CB 3.28Å; Q216-H220 WeakPolarHBondContact O-CB 3.4Å; Q216-H220 PolarHBondContact O-N 3.04Å; H220-L222 VanDerWaalsContact C-N 3.34Å; H220-L222 PolarHBondContact O-N 2.77Å; H220-W223 CarbonylContact O-C 3.47Å; H220-P224 WeakPolarHBondContact O-CA 3.33Å; H220-P224 WeakPolarHBondContact O-CD 3.17Å; H220-P224 WeakPolarHBondContact O-CG 3.27Å; H220-P224 VanDerWaalsContact O-N 3.14Å
221R97.3Very high97.1Very high184 Ų18466.5 Ų66.569%0.69433%0.325SS*.Hα-helixtrans-61-40.5175.8-173.9-174.870129.5-2.2112.7R217 E218 I219R217-R221 WeakPolarHBondContact O-CB 3.26Å; R217-R221 PolarHBondContact O-N 2.84Å; E218-R221 PolarHBondContact O-N 3.45Å; I219-R221 VanDerWaalsContact C-N 3.27Å; I219-R221 PolarHBondContact O-N 2.94Å
222L96Very high97Very high71 Ų7168.7 Ų68.737%0.37234%0.34SS..Hα-helixtrans-89.9-30.6-176-68.2177.1000113.1E218 I219 H220E218-L222 PolarHBondContact O-N 2.9Å; I219-L222 PolarHBondContact O-N 2.94Å; I219-L222 VanDerWaalsContact O-N 3.15Å; H220-L222 VanDerWaalsContact C-N 3.34Å; H220-L222 PolarHBondContact O-N 2.77Å
223W97Very high97Very high47 Ų4769 Ų6918%0.17834%0.342CS..  trans-132.874.7178.2-62.7-82.7000110.8I190 I219 H220 S225 Q226 G283 M286 R287I190-W223 HydrophobicContact CD1-CG 4.45Å; I219-W223 HydrophobicContact CD1-CE3 4.14Å; I219-W223 HydrophobicContact CD1-CZ3 3.95Å; I219-W223 HydrophobicContact CG2-CE3 4.39Å; I219-W223 PolarHBondContact O-N 3.46Å; H220-W223 CarbonylContact O-C 3.47Å; W223-S225 PolarHBondContact O-N 3.35Å; W223-S225 VanDerWaalsContact O-N 3.14Å; W223-Q226 HydrophobicContact CB-CB 3.9Å; W223-Q226 HydrophobicContact CB-CG 3.75Å; W223-Q226 HydrophobicContact CG-CG 4.42Å; W223-Q226 PolarHBondContact O-N 2.99Å; W223-G283 VanDerWaalsContact CH2-O 3.3Å; W223-G283 WeakPolarHBondContact CH2-O 3.48Å; W223-M286 HydrophobicContact CD2-CE 3.64Å; W223-M286 HydrophobicContact CE3-CE 3.71Å; W223-M286 HydrophobicContact CE3-SD 4.41Å; W223-M286 HydrophobicContact CG-CE 4.18Å; W223-M286 HydrophobicContact CH2-CB 4.01Å; W223-M286 HydrophobicContact CH2-CE 4.33Å; W223-M286 HydrophobicContact CH2-SD 4.36Å; W223-M286 HydrophobicContact CZ2-CB 3.72Å; W223-M286 HydrophobicContact CZ2-CE 4.21Å; W223-M286 HydrophobicContact CZ3-CE 4.06Å; W223-M286 HydrophobicContact CZ3-SD 4.2Å; W223-R287 HydrophobicContact CZ2-CB 4.5Å
224P94.9Very high97Very high85 Ų8569.2 Ų69.255%0.55234%0.342SS*.THydrogen-bonded Turntrans-60.6-28.2-174-24.633.6000114.7H220 Q226H220-P224 WeakPolarHBondContact O-CA 3.33Å; H220-P224 WeakPolarHBondContact O-CD 3.17Å; H220-P224 WeakPolarHBondContact O-CG 3.27Å; H220-P224 VanDerWaalsContact O-N 3.14Å; P224-Q226 VanDerWaalsContact C-N 3.32Å
225S93.8Very high96.9Very high111 Ų11170.1 Ų70.178%0.77635%0.345SS*.THydrogen-bonded Turntrans-82.6-4.9178.757.60000114.2W223W223-S225 PolarHBondContact O-N 3.35Å; W223-S225 VanDerWaalsContact O-N 3.14Å
226Q92.5Very high96.8Very high47 Ų4773 Ų7322%0.2237%0.366CS..SBendtrans-100.8128.5-176.7-63.5-62.9-12.600111.3I190 W223 P224 C228I190-Q226 HydrophobicContact CB-CG 4.41Å; I190-Q226 HydrophobicContact CD1-CG 4.42Å; I190-Q226 HydrophobicContact CG2-CG 4.1Å; W223-Q226 HydrophobicContact CB-CB 3.9Å; W223-Q226 HydrophobicContact CB-CG 3.75Å; W223-Q226 HydrophobicContact CG-CG 4.42Å; W223-Q226 PolarHBondContact O-N 2.99Å; P224-Q226 VanDerWaalsContact C-N 3.32Å; Q226-C228 PolarHBondContact O-N 2.73Å
227Q90.5Very high96.6Very high162 Ų16279.7 Ų79.776%0.75739%0.389SS*.  trans-73.2125.8172.6-169.6176.416.300109.7V193V193-Q227 PolarHBondContact N-O 3.13Å
228C97.6Very high96.4Very high16 Ų1681 Ų8111%0.10840%0.401CS..EExtended strand (participates in β ladder)trans-116.1115.5173.2-176.10000109.3V193 Q216 I219 Q226V193-C228 HydrophobicContact CB-CB 4.22Å; V193-C228 HydrophobicContact CG1-CB 4.37Å; V193-C228 VanDerWaalsContact O-CA 3.31Å; V193-C228 WeakPolarHBondContact O-CA 3.21Å; Q216-C228 HydrophobicContact CG-CB 4.45Å; Q216-C228 PolarHBondContact NE2-O 3.32Å; I219-C228 HydrophobicContact CB-CB 4.13Å; I219-C228 HydrophobicContact CG2-CB 3.73Å; Q226-C228 PolarHBondContact O-N 2.73Å
229S98Very high96.3Very high68 Ų6883.9 Ų83.948%0.47641%0.413SS..EExtended strand (participates in β ladder)trans-118.8105.9-179.9-171.50000110.9V193 S194 G195V193-S229 PolarHBondContact O-N 2.9Å; S194-S229 CarbonylContact C-O 3.48Å; S194-S229 WeakPolarHBondContact CA-O 3.39Å; G195-S229 PolarHBondContact N-O 2.91Å
230I98.5Very high96.2Very high2 Ų283.8 Ų83.81%0.0141%0.413CS..EExtended strand (participates in β ladder)trans-107.3128.5175-53-57.5000108.1G195 A197 Q212 A215 Q216 I247 M249G195-I230 CarbonylContact O-C 3.5Å; G195-I230 WeakPolarHBondContact O-CA 3.42Å; A197-I230 HydrophobicContact CB-CG2 3.88Å; Q212-I230 HydrophobicContact CB-CB 4.4Å; Q212-I230 HydrophobicContact CB-CG2 4.16Å; Q212-I230 HydrophobicContact CG-CB 3.69Å; Q212-I230 HydrophobicContact CG-CG2 3.91Å; Q212-I230 VanDerWaalsContact CG-O 3.26Å; Q212-I230 WeakPolarHBondContact CG-O 3.36Å; Q212-I230 PolarHBondContact NE2-O 3.5Å; A215-I230 HydrophobicContact CB-CG1 4.45Å; Q216-I230 HydrophobicContact CG-CB 4.3Å; Q216-I230 HydrophobicContact CG-CG1 3.88Å; I230-I247 HydrophobicContact CG2-CD1 4.12Å; I230-M249 HydrophobicContact CD1-CE 4.19Å; I230-M249 HydrophobicContact CD1-CG 4Å
231E98.3Very high95.8Very high119 Ų11982.6 Ų82.656%0.55641%0.406SS*.EExtended strand (participates in β ladder)trans-90.7120.9176-171.6-177172.300110.6G195 V196 A197 I233G195-E231 PolarHBondContact O-N 2.8Å; V196-E231 WeakPolarHBondContact CA-O 3.4Å; A197-E231 PolarHBondContact N-O 2.97Å; E231-I233 HydrophobicContact CG-CD1 4.29Å; E231-I233 HydrophobicContact CG-CG1 3.91Å
232P98.4Very high95.6Very high47 Ų4775.6 Ų75.631%0.30538%0.381SS..EExtended strand (participates in β ladder)trans-86.2119.5173.932.9-29.5000110.3A197 A208 I209 Q212A197-P232 CarbonylContact O-C 3.6Å; A197-P232 VanDerWaalsContact O-CA 3.27Å; A197-P232 WeakPolarHBondContact O-CA 3.21Å; A208-P232 HydrophobicContact CB-CB 4.21Å; I209-P232 HydrophobicContact CG1-CB 4.23Å; Q212-P232 HydrophobicContact CB-CB 4.37Å; Q212-P232 HydrophobicContact CG-CG 4.48Å
233I98.1Very high95.6Very high43 Ų4376 Ų7622%0.22138%0.383CS..EExtended strand (participates in β ladder)trans-118132.1-176.7-58.4-175.5000110.6V196 A197 Y198 C199 E231V196-I233 HydrophobicContact CG2-CB 4.44Å; V196-I233 HydrophobicContact CG2-CD1 3.45Å; V196-I233 VanDerWaalsContact CG2-CD1 3.45Å; V196-I233 HydrophobicContact CG2-CG1 3.86Å; A197-I233 PolarHBondContact O-N 2.83Å; Y198-I233 CarbonylContact C-O 3.55Å; Y198-I233 VanDerWaalsContact CA-O 3.24Å; Y198-I233 WeakPolarHBondContact CA-O 3.13Å; C199-I233 PolarHBondContact N-O 2.74Å; E231-I233 HydrophobicContact CG-CD1 4.29Å; E231-I233 HydrophobicContact CG-CG1 3.91Å
234K97.9Very high95.6Very high104 Ų10474 Ų7445%0.45238%0.377SS..EExtended strand (participates in β ladder)trans-104106.4160.8-179.8157.5177.1159.10109.1C199 L203 V205 S236C199-K234 WeakPolarHBondContact O-CA 3.35Å; L203-K234 PolarHBondContact O-NZ 2.8Å; V205-K234 HydrophobicContact CB-CB 4.35Å; V205-K234 HydrophobicContact CB-CD 4Å; V205-K234 HydrophobicContact CG2-CB 4.08Å; K234-S236 PolarHBondContact O-N 2.78Å
235H97.8Very high95.7Very high20 Ų2069.9 Ų69.99%0.09335%0.351CS..  trans-64.1134.2178.1-69.1-56.9000110.7Y159 Y198 C199 A200 K239 A240Y159-H235 AromaticContact CD2-CD2 3.99Å; Y159-H235 AromaticContact CD2-CE1 3.83Å; Y159-H235 AromaticContact CD2-ND1 3.96Å; Y159-H235 AromaticContact CD2-NE2 3.85Å; Y159-H235 AromaticContact CE2-CE1 3.2Å; Y159-H235 WeakPolarHBondContact CE2-CE1 3.49Å; Y159-H235 AromaticContact CE2-ND1 3.65Å; Y159-H235 AromaticContact CE2-NE2 3.5Å; Y159-H235 WeakPolarHBondContact CE2-NE2 3.46Å; Y159-H235 AromaticContact CZ-CE1 3.57Å; Y159-H235 AromaticContact CZ-NE2 3.62Å; Y198-H235 AromaticContact CG-NE2 3.91Å; C199-H235 PolarHBondContact O-N 2.98Å; A200-H235 HydrophobicContact CB-CB 4.29Å; H235-K239 HydrophobicContact CB-CB 4.25Å; H235-A240 HydrophobicContact CB-CB 3.64Å
236S96.6Very high96Very high61 Ų6164.6 Ų64.643%0.42731%0.314SS..  trans-64160173.4750000111K234 Q238 K239 A240K234-S236 PolarHBondContact O-N 2.78Å; S236-Q238 PolarHBondContact O-N 3.11Å; S236-Q238 VanDerWaalsContact O-N 3.13Å; S236-K239 CarbonylContact O-C 3.54Å; S236-K239 PolarHBondContact O-N 3.25Å; S236-K239 PolarHBondContact OG-N 3.36Å; S236-A240 PolarHBondContact O-N 3.35Å
237R93.4Very high96.3Very high193 Ų19362.5 Ų62.573%0.72830%0.304SS*.THydrogen-bonded Turntrans-58.6-27.7177.3-169.6177.2-179.6-154.50113.5A240 F241R237-A240 CarbonylContact O-C 3.51Å; R237-F241 HydrophobicContact CG-CD2 4.16Å
238Q94Very high96.6Very high170 Ų17054.9 Ų54.979%0.79427%0.269SS*.THydrogen-bonded Turntrans-72.4-38.8175.6-65.2175.80.600111.6S236S236-Q238 PolarHBondContact O-N 3.11Å; S236-Q238 VanDerWaalsContact O-N 3.13Å
239K96.1Very high96.7Very high96 Ų9654.1 Ų54.142%0.41726%0.264SS..THydrogen-bonded Turntrans-79.4-30.6177.9-75-67.5-170.6176.90112.9R158 Y159 H235 S236R158-K239 CarbonylContact C-O 3.58Å; R158-K239 WeakPolarHBondContact CA-O 3.42Å; R158-K239 WeakPolarHBondContact CG-O 3.14Å; Y159-K239 PolarHBondContact N-O 3.09Å; H235-K239 HydrophobicContact CB-CB 4.25Å; S236-K239 CarbonylContact O-C 3.54Å; S236-K239 PolarHBondContact O-N 3.25Å; S236-K239 PolarHBondContact OG-N 3.36Å
240A95.7Very high96.7Very high0 Ų051.1 Ų51.10%024%0.242CC..BIsolated β-bridgetrans-149.2114.4-179.500000110.7F161 A200 H235 S236 R237F161-A240 HydrophobicContact CE2-CB 4.04Å; A200-A240 HydrophobicContact CB-CB 3.47Å; A200-A240 VanDerWaalsContact CB-CB 3.47Å; H235-A240 HydrophobicContact CB-CB 3.64Å; S236-A240 PolarHBondContact O-N 3.35Å; R237-A240 CarbonylContact O-C 3.51Å
241F90.1Very high96.7Very high89 Ų8951 Ų5139%0.3924%0.242SC..  trans-83.5-28.7-173.3-171-116.5000113.5R237R237-F241 HydrophobicContact CG-CD2 4.16Å
242H93.5Very high96.7Very high36 Ų3647.6 Ų47.617%0.16723%0.227CC..SBendtrans-115.1167.5-175.1-66-50.1000112.4R164 A200 G244R164-H242 WeakPolarHBondContact CD-CE1 3.13Å; R164-H242 WeakPolarHBondContact CD-NE2 3.41Å; R164-H242 PolarHBondContact NH1-CE1 3.45Å; A200-H242 WeakPolarHBondContact CB-O 3.23Å; H242-G244 PolarHBondContact O-N 2.95Å
243N94.9Very high96.7Very high79 Ų7945.6 Ų45.642%0.42221%0.214SC..  trans-64.6135.2175.4-65.5-2.9000110.1F161 A200 R202 L203F161-N243 WeakPolarHBondContact CB-O 3.2Å; A200-N243 WeakPolarHBondContact O-CA 3.43Å; R202-N243 PolarHBondContact N-OD1 2.79Å; L203-N243 HydrophobicContact CD1-CB 4.26Å; L203-N243 HydrophobicContact CG-CB 4.14Å
244G96.4Very high96.7Very high5 Ų547.3 Ų47.35%0.05223%0.227CC..EExtended strand (participates in β ladder)trans-167.6147.1172.100000108.4C199 A200 H242C199-G244 CarbonylContact C-O 3.56Å; C199-G244 VanDerWaalsContact CA-O 3.31Å; C199-G244 WeakPolarHBondContact CA-O 3.39Å; A200-G244 PolarHBondContact N-O 3.23Å; H242-G244 PolarHBondContact O-N 2.95Å
245A98.2Very high96.7Very high0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-150.1153.2174.400000109Y198 C199 L203 I207 M211 G265 I269Y198-A245 WeakPolarHBondContact O-CA 3.48Å; Y198-A245 WeakPolarHBondContact O-CB 3.39Å; C199-A245 HydrophobicContact CB-CB 4.25Å; L203-A245 HydrophobicContact CD1-CB 3.95Å; I207-A245 HydrophobicContact CG2-CB 3.85Å; M211-A245 HydrophobicContact CE-CB 4.17Å; A245-G265 WeakPolarHBondContact O-CA 2.72Å; A245-G265 PolarHBondContact O-N 3.09Å; A245-I269 HydrophobicContact CB-CD1 3.96Å; A245-I269 HydrophobicContact CB-CG2 4.12Å
246G98.5Very high96.6Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans178.7176.2175.800000110.8A197 Y198 M211 A263A197-G246 CarbonylContact C-O 3.47Å; A197-G246 WeakPolarHBondContact CA-O 3.36Å; Y198-G246 VanDerWaalsContact CD1-O 3.28Å; Y198-G246 WeakPolarHBondContact CD1-O 3.46Å; Y198-G246 WeakPolarHBondContact CE1-O 3.4Å; Y198-G246 PolarHBondContact N-O 2.74Å; Y198-G246 PolarHBondContact O-N 2.69Å; Y198-G246 VanDerWaalsContact O-N 3.07Å; M211-G246 WeakPolarHBondContact CE-O 3.45Å; M211-G246 VanDerWaalsContact SD-C 3.54Å; G246-A263 CarbonylContact C-O 3.42Å; G246-A263 WeakPolarHBondContact CA-O 3.47Å
247I98.8Very high96.7Very high2 Ų246 Ų461%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-135.7138.8178-177.3171.6000108.4V196 A197 M211 A215 I230 M249 S262 A263 L274 A278V196-I247 CarbonylContact O-C 3.47Å; V196-I247 VanDerWaalsContact O-CA 3.3Å; V196-I247 WeakPolarHBondContact O-CA 3.5Å; A197-I247 HydrophobicContact CB-CB 4.3Å; A197-I247 HydrophobicContact CB-CD1 4.21Å; A197-I247 HydrophobicContact CB-CG1 4.12Å; M211-I247 HydrophobicContact CB-CB 4.48Å; M211-I247 HydrophobicContact CB-CD1 4.29Å; M211-I247 HydrophobicContact SD-CB 3.96Å; M211-I247 HydrophobicContact SD-CG2 4.14Å; A215-I247 HydrophobicContact CB-CD1 3.81Å; I230-I247 HydrophobicContact CG2-CD1 4.12Å; I247-M249 HydrophobicContact CD1-CG 3.85Å; I247-M249 HydrophobicContact CD1-SD 4.19Å; I247-M249 HydrophobicContact CG1-CG 3.96Å; I247-S262 CarbonylContact O-C 3.42Å; I247-S262 WeakPolarHBondContact O-CA 3.2Å; I247-S262 VanDerWaalsContact O-CB 3.24Å; I247-S262 WeakPolarHBondContact O-CB 3.1Å; I247-A263 HydrophobicContact CG2-CB 3.98Å; I247-A263 PolarHBondContact N-O 3.39Å; I247-A263 PolarHBondContact O-N 3.01Å; I247-L274 WeakPolarHBondContact CG2-O 3.48Å; I247-A278 HydrophobicContact CG2-CB 3.56Å
248L98.8Very high96.9Very high3 Ų337.1 Ų37.12%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-117.3126.9162.3174.270.3000107.5E135 Y136 E139 V140 G195 V196 T250E135-L248 VanDerWaalsContact C-CD2 3.42Å; E135-L248 HydrophobicContact CB-CB 4.45Å; E135-L248 HydrophobicContact CB-CD2 3.44Å; E135-L248 VanDerWaalsContact CB-CD2 3.44Å; Y136-L248 HydrophobicContact CD2-CD1 3.96Å; E139-L248 HydrophobicContact CB-CD2 4.05Å; E139-L248 HydrophobicContact CG-CD2 4.25Å; V140-L248 HydrophobicContact CG2-CD1 4.48Å; G195-L248 CarbonylContact C-O 3.56Å; G195-L248 WeakPolarHBondContact CA-O 2.98Å; V196-L248 HydrophobicContact CG1-CB 4.39Å; V196-L248 PolarHBondContact N-O 2.83Å; V196-L248 PolarHBondContact O-N 2.94Å; L248-T250 HydrophobicContact CD2-CG2 4.39Å; L248-T250 HydrophobicContact CG-CG2 4.3Å
249M98.8Very high97.1Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-113.8144.7169.4-55.6177.865.900109.2V193 S194 A215 I219 I230 I247 G260 A261 A278 L282V193-M249 HydrophobicContact CG1-CE 4.2Å; S194-M249 CarbonylContact O-C 3.58Å; S194-M249 WeakPolarHBondContact O-CA 3.5Å; A215-M249 HydrophobicContact CB-CE 3.87Å; A215-M249 HydrophobicContact CB-SD 3.62Å; I219-M249 HydrophobicContact CD1-CE 4.19Å; I219-M249 HydrophobicContact CG1-CE 3.65Å; I230-M249 HydrophobicContact CD1-CE 4.19Å; I230-M249 HydrophobicContact CD1-CG 4Å; I247-M249 HydrophobicContact CD1-CG 3.85Å; I247-M249 HydrophobicContact CD1-SD 4.19Å; I247-M249 HydrophobicContact CG1-CG 3.96Å; M249-G260 WeakPolarHBondContact O-CA 3.47Å; M249-A261 PolarHBondContact N-O 2.95Å; M249-A261 PolarHBondContact O-N 3.22Å; M249-A278 HydrophobicContact CG-CB 4.2Å; M249-A278 HydrophobicContact SD-CB 3.88Å; M249-L282 HydrophobicContact CB-CD2 3.75Å; M249-L282 HydrophobicContact CE-CD2 4.12Å
250T98.8Very high97.3Very high4 Ų424.5 Ų24.53%0.02513%0.133CC..EExtended strand (participates in β ladder)trans-130.1148.9174.865.80000110.8E139 V140 V193 S194 L248 L259E139-T250 HydrophobicContact CB-CG2 4Å; V140-T250 HydrophobicContact CG2-CG2 3.84Å; V193-T250 WeakPolarHBondContact CA-O 3.47Å; S194-T250 PolarHBondContact N-O 3.38Å; S194-T250 PolarHBondContact O-N 2.85Å; S194-T250 PolarHBondContact O-OG1 2.99Å; S194-T250 PolarHBondContact OG-OG1 2.81Å; L248-T250 HydrophobicContact CD2-CG2 4.39Å; L248-T250 HydrophobicContact CG-CG2 4.3Å; T250-L259 WeakPolarHBondContact CA-O 3.46Å
251V98.7Very high97.4Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-118130.6165.961.40000108.7I190 S192 V193 V258 L259 L282 M286I190-V251 HydrophobicContact CB-CG2 4.47Å; I190-V251 HydrophobicContact CG1-CG2 4.12Å; I190-V251 HydrophobicContact CG2-CG2 3.87Å; S192-V251 WeakPolarHBondContact O-CA 3.49Å; V193-V251 HydrophobicContact CG2-CB 4.43Å; V193-V251 HydrophobicContact CG2-CG2 4.15Å; V251-V258 WeakPolarHBondContact O-CA 3.44Å; V251-L259 HydrophobicContact CG1-CB 3.77Å; V251-L259 HydrophobicContact CG1-CD1 3.88Å; V251-L259 HydrophobicContact CG1-CG 4.04Å; V251-L259 PolarHBondContact N-O 2.91Å; V251-L259 PolarHBondContact O-N 2.91Å; V251-L259 VanDerWaalsContact O-N 3.13Å; V251-L282 HydrophobicContact CB-CD1 4.42Å; V251-L282 HydrophobicContact CB-CD2 4.36Å; V251-L282 HydrophobicContact CG1-CD1 3.98Å; V251-L282 HydrophobicContact CG1-CG 4.39Å; V251-M286 HydrophobicContact CB-CG 4.23Å; V251-M286 HydrophobicContact CB-SD 4.29Å; V251-M286 HydrophobicContact CG1-CG 3.92Å; V251-M286 HydrophobicContact CG2-CE 4.39Å; V251-M286 HydrophobicContact CG2-CG 4.15Å; V251-M286 HydrophobicContact CG2-SD 4.3Å
252N98.2Very high97.8Very high48 Ų4821.3 Ų21.326%0.25712%0.122SC..EExtended strand (participates in β ladder)trans-109.3139173.8-69.5-98.9000108.4K191 S192 V257 V258K191-N252 WeakPolarHBondContact CA-O 3.31Å; K191-N252 WeakPolarHBondContact CB-O 3.48Å; K191-N252 PolarHBondContact N-O 3.13Å; S192-N252 PolarHBondContact N-O 3.07Å; S192-N252 PolarHBondContact O-N 3.19Å; N252-V257 WeakPolarHBondContact CA-O 3.25Å; N252-V258 WeakPolarHBondContact OD1-CG2 3.49Å
253T98.2Very high98Very high4 Ų419.8 Ų19.83%0.02512%0.116CC..EExtended strand (participates in β ladder)trans-115.6170.5-179.982.70000112.6F187 R189 S255 D256 V257F187-T253 HydrophobicContact CD2-CG2 4.12Å; F187-T253 HydrophobicContact CE1-CG2 4.33Å; F187-T253 HydrophobicContact CE2-CG2 3.81Å; F187-T253 HydrophobicContact CZ-CG2 3.92Å; F187-T253 WeakPolarHBondContact O-CB 3.46Å; F187-T253 VanDerWaalsContact O-CG2 3.27Å; F187-T253 WeakPolarHBondContact O-CG2 3.27Å; F187-T253 PolarHBondContact O-OG1 3.08Å; R189-T253 CarbonylContact O-C 3.45Å; R189-T253 WeakPolarHBondContact O-CA 3.14Å; R189-T253 VanDerWaalsContact O-CB 3.24Å; R189-T253 WeakPolarHBondContact O-CB 3.38Å; T253-S255 PolarHBondContact O-N 2.91Å; T253-S255 PolarHBondContact OG1-N 3.22Å; T253-S255 PolarHBondContact OG1-OG 3.46Å; T253-S255 VanDerWaalsContact OG1-OG 3.05Å; T253-D256 PolarHBondContact O-N 2.79Å; T253-V257 HydrophobicContact CG2-CB 3.94Å; T253-V257 HydrophobicContact CG2-CG1 4.19Å; T253-V257 PolarHBondContact N-O 3.16Å; T253-V257 WeakPolarHBondContact OG1-CB 3.37Å; T253-V257 PolarHBondContact OG1-N 3.07Å
254T97.5Very high98.1Very high80 Ų8018 Ų1849%0.49111%0.106SC..THydrogen-bonded Turntrans-69.4-6.8175.858.70000114.2R189R189-T254 HydrophobicContact CB-CG2 4.13Å; R189-T254 PolarHBondContact N-OG1 3.18Å; R189-T254 PolarHBondContact O-N 2.82Å
255S97.3Very high98.1Very high37 Ų3718.4 Ų18.426%0.25911%0.11SC..THydrogen-bonded Turntrans-11525.8179.352.90000112.1A186 F187 G188 T253 V257A186-S255 WeakPolarHBondContact O-CB 3.5Å; A186-S255 PolarHBondContact O-OG 3.4Å; F187-S255 PolarHBondContact O-OG 3.48Å; G188-S255 PolarHBondContact N-OG 3.37Å; T253-S255 PolarHBondContact O-N 2.91Å; T253-S255 PolarHBondContact OG1-N 3.22Å; T253-S255 PolarHBondContact OG1-OG 3.46Å; T253-S255 VanDerWaalsContact OG1-OG 3.05Å; S255-V257 PolarHBondContact O-N 2.61Å; S255-V257 VanDerWaalsContact O-N 3.15Å
256D96.2Very high97.7Very high117 Ų11724.6 Ų24.663%0.62614%0.137SC*.SBendtrans58.925.9176.8-54.6-44.4000114.4H147 T253H147-D256 PolarHBondContact NE2-O 2.94Å; T253-D256 PolarHBondContact O-N 2.79Å
257V98Very high97.1Very high2 Ų234 Ų341%0.01218%0.178CC..  trans-78.6132.4166.4168.50000108.7A186 F187 N252 T253 S255 L259 C291A186-V257 WeakPolarHBondContact O-CG2 3.46Å; F187-V257 HydrophobicContact CD2-CG1 4.35Å; N252-V257 WeakPolarHBondContact CA-O 3.25Å; T253-V257 HydrophobicContact CG2-CB 3.94Å; T253-V257 HydrophobicContact CG2-CG1 4.19Å; T253-V257 PolarHBondContact N-O 3.16Å; T253-V257 WeakPolarHBondContact OG1-CB 3.37Å; T253-V257 PolarHBondContact OG1-N 3.07Å; S255-V257 PolarHBondContact O-N 2.61Å; S255-V257 VanDerWaalsContact O-N 3.15Å; V257-L259 HydrophobicContact CG1-CD1 4.32Å; V257-L259 HydrophobicContact CG1-CD2 3.82Å; V257-L259 HydrophobicContact CG1-CG 3.8Å; V257-C291 HydrophobicContact CG1-CB 4.41Å; V257-C291 HydrophobicContact CG2-CB 3.81Å
258V98.5Very high96.6Very high8 Ų845.8 Ų45.85%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-128.3119.9172.8-172.80000108.8E139 P143 N144 V251 N252E139-V258 VanDerWaalsContact O-CG1 3.25Å; E139-V258 WeakPolarHBondContact O-CG1 3.42Å; P143-V258 HydrophobicContact CB-CB 4.03Å; P143-V258 HydrophobicContact CB-CG1 4.37Å; P143-V258 HydrophobicContact CB-CG2 3.66Å; P143-V258 HydrophobicContact CG-CG1 4.48Å; P143-V258 HydrophobicContact CG-CG2 4.42Å; N144-V258 PolarHBondContact ND2-O 2.77Å; V251-V258 WeakPolarHBondContact O-CA 3.44Å; N252-V258 WeakPolarHBondContact OD1-CG2 3.49Å
259L98.8Very high96.3Very high0 Ų047.4 Ų47.40%023%0.231CC..EExtended strand (participates in β ladder)trans-117.5143.6177.7-48.3172.2000109.5F187 T250 V251 V257 L282 V290 C291 D293F187-L259 HydrophobicContact CE2-CD1 4Å; T250-L259 WeakPolarHBondContact CA-O 3.46Å; V251-L259 HydrophobicContact CG1-CB 3.77Å; V251-L259 HydrophobicContact CG1-CD1 3.88Å; V251-L259 HydrophobicContact CG1-CG 4.04Å; V251-L259 PolarHBondContact N-O 2.91Å; V251-L259 PolarHBondContact O-N 2.91Å; V251-L259 VanDerWaalsContact O-N 3.13Å; V257-L259 HydrophobicContact CG1-CD1 4.32Å; V257-L259 HydrophobicContact CG1-CD2 3.82Å; V257-L259 HydrophobicContact CG1-CG 3.8Å; L259-L282 HydrophobicContact CB-CD1 4.49Å; L259-V290 HydrophobicContact CD1-CG2 4.02Å; L259-V290 WeakPolarHBondContact CD1-O 3.19Å; L259-V290 HydrophobicContact CD2-CG2 4.43Å; L259-C291 VanDerWaalsContact CD2-C 3.46Å; L259-D293 HydrophobicContact CB-CB 4.39Å; L259-D293 HydrophobicContact CD2-CB 4.34Å
260G98.6Very high96.3Very high0 Ų051.1 Ų51.10%025%0.251CS..EExtended strand (participates in β ladder)trans-116.5143.6175.800000113.3M249 D293M249-G260 WeakPolarHBondContact O-CA 3.47Å; G260-D293 PolarHBondContact N-OD2 2.62Å; G260-D293 VanDerWaalsContact N-OD2 3.09Å
261A98.7Very high96.2Very high0 Ų051 Ų510%025%0.25CC..EExtended strand (participates in β ladder)trans-133.8137.3163.900000109.1M249 A278 Q281 L282M249-A261 PolarHBondContact N-O 2.95Å; M249-A261 PolarHBondContact O-N 3.22Å; A261-A278 WeakPolarHBondContact CB-O 3.16Å; A261-Q281 HydrophobicContact CB-CB 4.02Å; A261-Q281 HydrophobicContact CB-CG 3.98Å; A261-L282 HydrophobicContact CB-CB 3.75Å; A261-L282 HydrophobicContact CB-CD1 4.03Å; A261-L282 HydrophobicContact CB-CG 4.5Å
262S98.3Very high96.2Very high23 Ų2354.9 Ų54.916%0.16127%0.268CS..EExtended strand (participates in β ladder)trans-141.9147.3-177.1640000112I247I247-S262 CarbonylContact O-C 3.42Å; I247-S262 WeakPolarHBondContact O-CA 3.2Å; I247-S262 VanDerWaalsContact O-CB 3.24Å; I247-S262 WeakPolarHBondContact O-CB 3.1Å
263A98.3Very high96.2Very high4 Ų456.5 Ų56.53%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-126.6140.8171.700000110G246 I247 L274 E277 A278G246-A263 CarbonylContact C-O 3.42Å; G246-A263 WeakPolarHBondContact CA-O 3.47Å; I247-A263 HydrophobicContact CG2-CB 3.98Å; I247-A263 PolarHBondContact N-O 3.39Å; I247-A263 PolarHBondContact O-N 3.01Å; A263-L274 HydrophobicContact CB-CB 4.19Å; A263-L274 HydrophobicContact CB-CD2 3.9Å; A263-L274 WeakPolarHBondContact CB-O 3.44Å; A263-E277 HydrophobicContact CB-CB 4.05Å; A263-E277 HydrophobicContact CB-CG 4.13Å; A263-A278 HydrophobicContact CB-CB 4.28Å
264L97.6Very high96.2Very high42 Ų4256.9 Ų56.922%0.2228%0.281CS..EExtended strand (participates in β ladder)trans-117.1127.2-178.1-174.871.5000110.5N127 Y198N127-L264 HydrophobicContact CB-CD1 3.96Å; Y198-L264 WeakPolarHBondContact OH-CD1 3.37Å
265G95.9Very high96.3Very high13 Ų1353 Ų5313%0.13426%0.258CS..  trans-69.1128175.200000112.5A245A245-G265 WeakPolarHBondContact O-CA 2.72Å; A245-G265 PolarHBondContact O-N 3.09Å
266K89.7Confident96.4Very high129 Ų12953.3 Ų53.356%0.56126%0.26SS*.  trans-101.8-133.3177.2-57.9-173.1-173.7-157.60111D129 I269D129-K266 WeakPolarHBondContact OD1-CE 3.24Å; D129-K266 IonicContact OD1-NZ 2.8Å; D129-K266 PolarHBondContact OD1-NZ 3.15Å; D129-K266 VanDerWaalsContact OD2-CE 3.27Å; D129-K266 WeakPolarHBondContact OD2-CE 3.48Å; D129-K266 IonicContact OD2-NZ 3.97Å; D129-K266 PolarHBondContact OD2-NZ 2.84Å; K266-I269 WeakPolarHBondContact O-CG1 3.41Å
267K85.3Confident96.5Very high197 Ų19752.9 Ų52.986%0.85725%0.254SS*.SBendtrans-77.7144.8170-66.3-178.2-179.6177.70109.3
268R88.7Confident96.5Very high250 Ų25052.8 Ų52.894%0.94325%0.253SS*.SBendtrans53.462.3179-58.1-178.8-178.9-172.6-0.2111.8D270R268-D270 PolarHBondContact O-N 2.87Å
269I93.2Very high96.5Very high38 Ų3852.5 Ų52.520%0.19525%0.251CS..  trans-64.9125.9-174.2-62.5163.4000110.3L203 I207 A245 K266 L274L203-I269 HydrophobicContact CD1-CD1 3.55Å; L203-I269 HydrophobicContact CD2-CD1 4.33Å; I207-I269 HydrophobicContact CD1-CB 4.43Å; I207-I269 HydrophobicContact CD1-CG2 4.35Å; I207-I269 HydrophobicContact CG2-CG2 3.62Å; A245-I269 HydrophobicContact CB-CD1 3.96Å; A245-I269 HydrophobicContact CB-CG2 4.12Å; K266-I269 WeakPolarHBondContact O-CG1 3.41Å; I269-L274 HydrophobicContact CG2-CD1 3.72Å
270D97Very high96.5Very high78 Ų7855.8 Ų55.842%0.41727%0.274SS..  trans-112.3116.8169.9-175.6-29.5000108.5R268 H272 V273 L274R268-D270 PolarHBondContact O-N 2.87Å; D270-H272 VanDerWaalsContact C-N 3.32Å; D270-H272 PolarHBondContact O-N 2.84Å; D270-H272 WeakPolarHBondContact OD1-CB 3.43Å; D270-H272 IonicContact OD1-CD2 3.56Å; D270-H272 IonicContact OD1-CG 2.69Å; D270-H272 PolarHBondContact OD1-N 2.91Å; D270-V273 HydrophobicContact CB-CB 4.15Å; D270-V273 HydrophobicContact CB-CG2 3.93Å; D270-V273 PolarHBondContact O-N 3.23Å; D270-V273 PolarHBondContact OD1-N 2.84Å; D270-L274 WeakPolarHBondContact O-CG 3.35Å; D270-L274 PolarHBondContact O-N 3.36Å
271G98.1Very high96.5Very high1 Ų157.9 Ų57.91%0.0128%0.284CS..Hα-helixtrans-67.6-30.7-178.200000113.2M211 G275M211-G271 VanDerWaalsContact CA-O 3.23Å; M211-G271 WeakPolarHBondContact CA-O 3.32Å; M211-G271 WeakPolarHBondContact CG-O 3.06Å; M211-G271 PolarHBondContact N-O 2.81Å; G271-G275 PolarHBondContact O-N 2.8Å
272H98.4Very high96.5Very high81 Ų8157.9 Ų57.938%0.37528%0.284SS..Hα-helixtrans-67.2-43.3177.1-63.6-62.7000111.4D210 T214 D270 G275 S276D210-H272 IonicContact OD1-CE1 3.63Å; T214-H272 WeakPolarHBondContact CG2-O 3.49Å; T214-H272 PolarHBondContact OG1-ND1 2.83Å; D270-H272 VanDerWaalsContact C-N 3.32Å; D270-H272 PolarHBondContact O-N 2.84Å; D270-H272 WeakPolarHBondContact OD1-CB 3.43Å; D270-H272 IonicContact OD1-CD2 3.56Å; D270-H272 IonicContact OD1-CG 2.69Å; D270-H272 PolarHBondContact OD1-N 2.91Å; H272-G275 PolarHBondContact O-N 3.08Å; H272-S276 WeakPolarHBondContact O-CB 3.28Å; H272-S276 PolarHBondContact O-N 3.47Å
273V98.3Very high96.5Very high82 Ų8256.8 Ų56.850%0.49728%0.276SS..Hα-helixtrans-62.1-47.1177.8175.70000110.8D270 G275 S276 E277D270-V273 HydrophobicContact CB-CB 4.15Å; D270-V273 HydrophobicContact CB-CG2 3.93Å; D270-V273 PolarHBondContact O-N 3.23Å; D270-V273 PolarHBondContact OD1-N 2.84Å; V273-G275 PolarHBondContact O-N 3.4Å; V273-S276 PolarHBondContact O-N 3.48Å; V273-E277 WeakPolarHBondContact O-CB 3.3Å; V273-E277 PolarHBondContact O-N 3.07Å
274L98.6Very high96.4Very high12 Ų1259.1 Ų59.16%0.06329%0.288CS..Hα-helixtrans-64.6-40.9179.2-66.3-179.2000112.5M211 I247 A263 I269 D270 A278M211-L274 HydrophobicContact CG-CB 3.78Å; M211-L274 HydrophobicContact CG-CD1 4.48Å; M211-L274 HydrophobicContact SD-CB 3.64Å; M211-L274 HydrophobicContact SD-CD1 3.61Å; M211-L274 HydrophobicContact SD-CG 4.31Å; I247-L274 WeakPolarHBondContact CG2-O 3.48Å; A263-L274 HydrophobicContact CB-CB 4.19Å; A263-L274 HydrophobicContact CB-CD2 3.9Å; A263-L274 WeakPolarHBondContact CB-O 3.44Å; I269-L274 HydrophobicContact CG2-CD1 3.72Å; D270-L274 WeakPolarHBondContact O-CG 3.35Å; D270-L274 PolarHBondContact O-N 3.36Å; L274-A278 PolarHBondContact O-N 2.9Å
275G98.7Very high96.5Very high0 Ų057.5 Ų57.50%028%0.279CS..Hα-helixtrans-59-48.2174.600000111.5G271 H272 V273 A278 S279G271-G275 PolarHBondContact O-N 2.8Å; H272-G275 PolarHBondContact O-N 3.08Å; V273-G275 PolarHBondContact O-N 3.4Å; G275-A278 PolarHBondContact O-N 3.43Å; G275-S279 PolarHBondContact O-N 2.88Å; G275-S279 PolarHBondContact O-OG 2.79Å
276S98.7Very high96.5Very high43 Ų4357.1 Ų57.130%0.30127%0.274SS..Hα-helixtrans-65.2-42-179.5-166.70000112.9E218 H272 V273 A278 S279 C280E218-S276 VanDerWaalsContact OE1-CB 3.24Å; E218-S276 WeakPolarHBondContact OE1-CB 3.45Å; E218-S276 PolarHBondContact OE1-OG 2.86Å; H272-S276 WeakPolarHBondContact O-CB 3.28Å; H272-S276 PolarHBondContact O-N 3.47Å; V273-S276 PolarHBondContact O-N 3.48Å; S276-A278 PolarHBondContact O-N 3.49Å; S276-S279 WeakPolarHBondContact CA-OG 3.4Å; S276-S279 PolarHBondContact O-N 2.91Å; S276-S279 PolarHBondContact O-OG 3.04Å; S276-C280 WeakPolarHBondContact O-CB 3.25Å; S276-C280 PolarHBondContact O-N 3.13Å
277E98.5Very high96.9Very high107 Ų10757.8 Ų57.850%0.527%0.273SS..Hα-helixtrans-58.3-48.1177-177.1178.4162.200111.3A263 V273 Q281A263-E277 HydrophobicContact CB-CB 4.05Å; A263-E277 HydrophobicContact CB-CG 4.13Å; V273-E277 WeakPolarHBondContact O-CB 3.3Å; V273-E277 PolarHBondContact O-N 3.07Å; E277-Q281 WeakPolarHBondContact O-CB 3.42Å; E277-Q281 PolarHBondContact O-N 2.81Å; E277-Q281 VanDerWaalsContact O-N 3.14Å
278A98.7Very high97.4Very high0 Ų053.3 Ų53.30%025%0.253CS..Hα-helixtrans-68.5-43.9179.900000112.8I247 M249 A261 A263 L274 G275 S276 Q281 L282I247-A278 HydrophobicContact CG2-CB 3.56Å; M249-A278 HydrophobicContact CG-CB 4.2Å; M249-A278 HydrophobicContact SD-CB 3.88Å; A261-A278 WeakPolarHBondContact CB-O 3.16Å; A263-A278 HydrophobicContact CB-CB 4.28Å; L274-A278 PolarHBondContact O-N 2.9Å; G275-A278 PolarHBondContact O-N 3.43Å; S276-A278 PolarHBondContact O-N 3.49Å; A278-Q281 PolarHBondContact O-N 2.92Å; A278-L282 WeakPolarHBondContact O-CB 3.24Å; A278-L282 PolarHBondContact O-N 3Å
279S98.6Very high97.8Very high2 Ų246.4 Ų46.41%0.01423%0.232CC..Hα-helixtrans-69.5-35.9179.245.90000112.9E218 G275 S276 G283E218-S279 VanDerWaalsContact CD-OG 3.3Å; E218-S279 PolarHBondContact OE2-OG 2.81Å; G275-S279 PolarHBondContact O-N 2.88Å; G275-S279 PolarHBondContact O-OG 2.79Å; S276-S279 WeakPolarHBondContact CA-OG 3.4Å; S276-S279 PolarHBondContact O-N 2.91Å; S276-S279 PolarHBondContact O-OG 3.04Å; S279-G283 PolarHBondContact O-N 3.5Å
280C98.5Very high98Very high70 Ų7044.7 Ų44.747%0.47322%0.223SC..Hα-helixtrans-63.3-48.3174.9-177.10000111S276 G283 D284S276-C280 WeakPolarHBondContact O-CB 3.25Å; S276-C280 PolarHBondContact O-N 3.13Å; C280-G283 PolarHBondContact O-N 3.05Å; C280-D284 PolarHBondContact O-N 3.47Å
281Q98.5Very high98.1Very high44 Ų4441 Ų4121%0.20620%0.203CC..Hα-helixtrans-63.3-47.3178.1-179.1173.657.900112.1A261 E277 A278 G283 D284 Y285A261-Q281 HydrophobicContact CB-CB 4.02Å; A261-Q281 HydrophobicContact CB-CG 3.98Å; E277-Q281 WeakPolarHBondContact O-CB 3.42Å; E277-Q281 PolarHBondContact O-N 2.81Å; E277-Q281 VanDerWaalsContact O-N 3.14Å; A278-Q281 PolarHBondContact O-N 2.92Å; Q281-G283 VanDerWaalsContact C-N 3.31Å; Q281-G283 PolarHBondContact O-N 3.45Å; Q281-D284 WeakPolarHBondContact O-CB 3.5Å; Q281-D284 PolarHBondContact O-N 3.23Å; Q281-Y285 HydrophobicContact CG-CD2 4.39Å; Q281-Y285 HydrophobicContact CG-CE2 3.63Å; Q281-Y285 PolarHBondContact NE2-OH 2.97Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.44Å; Q281-Y285 PolarHBondContact O-N 3.23Å
282L98.5Very high98.1Very high0 Ų040.9 Ų40.90%020%0.202CC..Hα-helixtrans-61.9-42.6177.5-164.370.4000111.3V193 M249 V251 L259 A261 A278 D284 Y285 M286V193-L282 HydrophobicContact CG1-CD2 3.87Å; M249-L282 HydrophobicContact CB-CD2 3.75Å; M249-L282 HydrophobicContact CE-CD2 4.12Å; V251-L282 HydrophobicContact CB-CD1 4.42Å; V251-L282 HydrophobicContact CB-CD2 4.36Å; V251-L282 HydrophobicContact CG1-CD1 3.98Å; V251-L282 HydrophobicContact CG1-CG 4.39Å; L259-L282 HydrophobicContact CB-CD1 4.49Å; A261-L282 HydrophobicContact CB-CB 3.75Å; A261-L282 HydrophobicContact CB-CD1 4.03Å; A261-L282 HydrophobicContact CB-CG 4.5Å; A278-L282 WeakPolarHBondContact O-CB 3.24Å; A278-L282 PolarHBondContact O-N 3Å; L282-D284 VanDerWaalsContact C-N 3.29Å; L282-D284 PolarHBondContact O-N 3.45Å; L282-Y285 WeakPolarHBondContact O-CB 3.1Å; L282-Y285 PolarHBondContact O-N 3.31Å; L282-Y285 VanDerWaalsContact O-N 3.16Å; L282-M286 HydrophobicContact CD2-SD 4.24Å; L282-M286 HydrophobicContact CG-SD 4.03Å; L282-M286 VanDerWaalsContact O-CG 3.29Å; L282-M286 WeakPolarHBondContact O-CG 3.3Å; L282-M286 PolarHBondContact O-N 3.27Å
283G98.1Very high98.2Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-62.2-36.2178.700000112.9W223 S279 C280 Q281 M286 R287W223-G283 VanDerWaalsContact CH2-O 3.3Å; W223-G283 WeakPolarHBondContact CH2-O 3.48Å; S279-G283 PolarHBondContact O-N 3.5Å; C280-G283 PolarHBondContact O-N 3.05Å; Q281-G283 VanDerWaalsContact C-N 3.31Å; Q281-G283 PolarHBondContact O-N 3.45Å; G283-M286 PolarHBondContact O-N 3.43Å; G283-R287 WeakPolarHBondContact O-CB 3.41Å; G283-R287 PolarHBondContact O-N 3.21Å
284D97.7Very high98.1Very high53 Ų5335.5 Ų35.528%0.28317%0.173SC..Hα-helixtrans-63.6-42.3173.5-90.712.8000112.4C280 Q281 L282 R287 K288C280-D284 PolarHBondContact O-N 3.47Å; Q281-D284 WeakPolarHBondContact O-CB 3.5Å; Q281-D284 PolarHBondContact O-N 3.23Å; L282-D284 VanDerWaalsContact C-N 3.29Å; L282-D284 PolarHBondContact O-N 3.45Å; D284-R287 IonicContact OD1-CZ 3.95Å; D284-R287 IonicContact OD1-NH1 3.92Å; D284-R287 PolarHBondContact OD1-NH1 2.9Å; D284-R287 IonicContact OD1-NH2 3.82Å; D284-K288 WeakPolarHBondContact O-CB 3.04Å; D284-K288 VanDerWaalsContact O-CG 3.31Å; D284-K288 WeakPolarHBondContact O-CG 3.41Å; D284-K288 PolarHBondContact O-N 3.13Å
285Y98.2Very high98.1Very high8 Ų840 Ų403%0.03119%0.19CC..Hα-helixtrans-64.3-44.2174.8-61-36.2000112.2Q281 L282 K288 Q289 V290 D293 D294Q281-Y285 HydrophobicContact CG-CD2 4.39Å; Q281-Y285 HydrophobicContact CG-CE2 3.63Å; Q281-Y285 PolarHBondContact NE2-OH 2.97Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.44Å; Q281-Y285 PolarHBondContact O-N 3.23Å; L282-Y285 WeakPolarHBondContact O-CB 3.1Å; L282-Y285 PolarHBondContact O-N 3.31Å; L282-Y285 VanDerWaalsContact O-N 3.16Å; Y285-K288 PolarHBondContact O-N 3.45Å; Y285-Q289 PolarHBondContact O-N 3.14Å; Y285-V290 HydrophobicContact CD1-CG2 3.93Å; Y285-V290 HydrophobicContact CG-CG2 4.09Å; Y285-V290 PolarHBondContact O-N 3.38Å; Y285-D293 HydrophobicContact CD2-CB 3.89Å; Y285-D293 HydrophobicContact CE1-CB 4.36Å; Y285-D293 HydrophobicContact CE2-CB 3.5Å; Y285-D293 VanDerWaalsContact CE2-CB 3.5Å; Y285-D293 HydrophobicContact CG-CB 4.47Å; Y285-D294 HydrophobicContact CE1-CB 4.49Å; Y285-D294 WeakPolarHBondContact OH-CB 3.36Å; Y285-D294 PolarHBondContact OH-N 2.75Å
286M97.5Very high98.1Very high5 Ų540 Ų403%0.02519%0.19CC..Hα-helixtrans-61.7-44.6177.6-69165.467.300111.8I190 V193 I219 W223 V251 L282 G283 Q289I190-M286 HydrophobicContact CD1-CE 3.34Å; I190-M286 HydrophobicContact CG1-CE 4.03Å; I190-M286 HydrophobicContact CG2-CE 4.48Å; V193-M286 HydrophobicContact CG2-CE 3.86Å; V193-M286 HydrophobicContact CG2-SD 4.3Å; I219-M286 HydrophobicContact CD1-SD 4.37Å; W223-M286 HydrophobicContact CD2-CE 3.64Å; W223-M286 HydrophobicContact CE3-CE 3.71Å; W223-M286 HydrophobicContact CE3-SD 4.41Å; W223-M286 HydrophobicContact CG-CE 4.18Å; W223-M286 HydrophobicContact CH2-CB 4.01Å; W223-M286 HydrophobicContact CH2-CE 4.33Å; W223-M286 HydrophobicContact CH2-SD 4.36Å; W223-M286 HydrophobicContact CZ2-CB 3.72Å; W223-M286 HydrophobicContact CZ2-CE 4.21Å; W223-M286 HydrophobicContact CZ3-CE 4.06Å; W223-M286 HydrophobicContact CZ3-SD 4.2Å; V251-M286 HydrophobicContact CB-CG 4.23Å; V251-M286 HydrophobicContact CB-SD 4.29Å; V251-M286 HydrophobicContact CG1-CG 3.92Å; V251-M286 HydrophobicContact CG2-CE 4.39Å; V251-M286 HydrophobicContact CG2-CG 4.15Å; V251-M286 HydrophobicContact CG2-SD 4.3Å; L282-M286 HydrophobicContact CD2-SD 4.24Å; L282-M286 HydrophobicContact CG-SD 4.03Å; L282-M286 VanDerWaalsContact O-CG 3.29Å; L282-M286 WeakPolarHBondContact O-CG 3.3Å; L282-M286 PolarHBondContact O-N 3.27Å; G283-M286 PolarHBondContact O-N 3.43Å; M286-Q289 PolarHBondContact O-N 3.36Å
287R96.7Very high98.1Very high142 Ų14238 Ų3854%0.53618%0.176SC..Hα-helixtrans-64.2-41.8178.2-169.4-172.7-53.6111.17.4111.8W223 G283 D284 Q289W223-R287 HydrophobicContact CZ2-CB 4.5Å; G283-R287 WeakPolarHBondContact O-CB 3.41Å; G283-R287 PolarHBondContact O-N 3.21Å; D284-R287 IonicContact OD1-CZ 3.95Å; D284-R287 IonicContact OD1-NH1 3.92Å; D284-R287 PolarHBondContact OD1-NH1 2.9Å; D284-R287 IonicContact OD1-NH2 3.82Å; R287-Q289 VanDerWaalsContact C-N 3.26Å; R287-Q289 PolarHBondContact O-N 3.16Å
288K96.6Very high98.1Very high104 Ų10433.4 Ų33.445%0.45216%0.155SC..Hα-helixtrans-77.3-9.9178.3-69.8170.2-176.2157.80113.2D284 Y285 V290 Q346D284-K288 WeakPolarHBondContact O-CB 3.04Å; D284-K288 VanDerWaalsContact O-CG 3.31Å; D284-K288 WeakPolarHBondContact O-CG 3.41Å; D284-K288 PolarHBondContact O-N 3.13Å; Y285-K288 PolarHBondContact O-N 3.45Å; K288-V290 HydrophobicContact CB-CG1 3.92Å; K288-V290 PolarHBondContact O-N 3.23Å; K288-Q346 PolarHBondContact O-NE2 2.96Å
289Q97Very high98Very high105 Ų10534 Ų3449%0.49116%0.158SC..THydrogen-bonded Turntrans51.840.6-178-59.9-170.2-22.800112.9F187 Y285 M286 R287F187-Q289 HydrophobicContact CB-CB 3.79Å; F187-Q289 HydrophobicContact CD1-CB 3.76Å; F187-Q289 HydrophobicContact CD1-CG 3.62Å; F187-Q289 HydrophobicContact CD2-CB 4.22Å; F187-Q289 HydrophobicContact CE1-CB 4.4Å; F187-Q289 HydrophobicContact CE1-CG 3.99Å; F187-Q289 HydrophobicContact CG-CB 3.65Å; F187-Q289 HydrophobicContact CG-CG 4.07Å; Y285-Q289 PolarHBondContact O-N 3.14Å; M286-Q289 PolarHBondContact O-N 3.36Å; R287-Q289 VanDerWaalsContact C-N 3.26Å; R287-Q289 PolarHBondContact O-N 3.16Å
290V98.3Very high98.1Very high1 Ų134 Ų341%0.00616%0.158CC..  trans-72.1151.7172.2-56.90000109.4F187 L259 Y285 K288 Q346F187-V290 WeakPolarHBondContact CD2-O 3.18Å; L259-V290 HydrophobicContact CD1-CG2 4.02Å; L259-V290 WeakPolarHBondContact CD1-O 3.19Å; L259-V290 HydrophobicContact CD2-CG2 4.43Å; Y285-V290 HydrophobicContact CD1-CG2 3.93Å; Y285-V290 HydrophobicContact CG-CG2 4.09Å; Y285-V290 PolarHBondContact O-N 3.38Å; K288-V290 HydrophobicContact CB-CG1 3.92Å; K288-V290 PolarHBondContact O-N 3.23Å; V290-Q346 HydrophobicContact CG1-CG 4.46Å
291C98.6Very high98.1Very high0 Ų030.6 Ų30.60%014%0.135CC..SBendtrans-104.6-7.9179.8-64.20000113.3L184 V185 A186 F187 V257 L259 R314L184-C291 HydrophobicContact CB-CB 4.23Å; L184-C291 WeakPolarHBondContact O-CB 3.43Å; V185-C291 PolarHBondContact O-SG 2.94Å; A186-C291 VanDerWaalsContact C-SG 3.51Å; F187-C291 PolarHBondContact N-SG 3.36Å; V257-C291 HydrophobicContact CG1-CB 4.41Å; V257-C291 HydrophobicContact CG2-CB 3.81Å; L259-C291 VanDerWaalsContact CD2-C 3.46Å; C291-R314 WeakPolarHBondContact CA-O 3.39Å; C291-R314 HydrophobicContact CB-CB 4.21Å; C291-R314 PolarHBondContact N-O 3.43Å
292V98.6Very high98.1Very high0 Ų028.8 Ų28.80%013%0.127CC..BIsolated β-bridgetrans-143125.9175.8176.90000107.8L184 M296 Q297 L300 M313 R314 T315L184-V292 HydrophobicContact CB-CG2 3.96Å; L184-V292 HydrophobicContact CD1-CG2 3.84Å; L184-V292 HydrophobicContact CG-CG2 4.4Å; V292-M296 HydrophobicContact CG1-CB 3.59Å; V292-M296 HydrophobicContact CG1-CG 3.79Å; V292-Q297 HydrophobicContact CG1-CB 4.47Å; V292-Q297 HydrophobicContact CG1-CG 4.08Å; V292-L300 HydrophobicContact CG1-CD1 4.05Å; V292-L300 HydrophobicContact CG2-CD1 3.94Å; V292-M313 HydrophobicContact CB-SD 4.37Å; V292-M313 HydrophobicContact CG1-SD 4.09Å; V292-M313 HydrophobicContact CG2-CB 3.71Å; V292-M313 HydrophobicContact CG2-CG 4.48Å; V292-M313 HydrophobicContact CG2-SD 4.16Å; V292-R314 PolarHBondContact N-O 2.69Å; V292-R314 VanDerWaalsContact N-O 3.15Å; V292-T315 HydrophobicContact CB-CG2 4.15Å
293D98.7Very high98.1Very high0 Ų029.1 Ų29.10%013%0.128CC..  trans-77.1164.5179.467.675.1000112.5Y136 L259 G260 Y285 Y295 M296 Q297Y136-D293 PolarHBondContact OH-OD1 2.84Å; Y136-D293 PolarHBondContact OH-OD2 2.89Å; Y136-D293 VanDerWaalsContact OH-OD2 3.07Å; L259-D293 HydrophobicContact CB-CB 4.39Å; L259-D293 HydrophobicContact CD2-CB 4.34Å; G260-D293 PolarHBondContact N-OD2 2.62Å; G260-D293 VanDerWaalsContact N-OD2 3.09Å; Y285-D293 HydrophobicContact CD2-CB 3.89Å; Y285-D293 HydrophobicContact CE1-CB 4.36Å; Y285-D293 HydrophobicContact CE2-CB 3.5Å; Y285-D293 VanDerWaalsContact CE2-CB 3.5Å; Y285-D293 HydrophobicContact CG-CB 4.47Å; D293-Y295 PolarHBondContact O-N 3.3Å; D293-Y295 PolarHBondContact OD1-N 2.69Å; D293-Y295 VanDerWaalsContact OD1-N 3.12Å; D293-M296 PolarHBondContact O-N 3.04Å; D293-M296 PolarHBondContact OD1-N 2.78Å; D293-M296 VanDerWaalsContact OD1-N 3.1Å; D293-Q297 WeakPolarHBondContact O-CG 3.43Å; D293-Q297 PolarHBondContact O-N 3.29Å
294D97.6Very high98.1Very high49 Ų4929.2 Ų29.226%0.26213%0.129SC..Hα-helixtrans-56.3-29.1-170.2-68.5-7.4000114.7Y285 Q297 T319Y285-D294 HydrophobicContact CE1-CB 4.49Å; Y285-D294 WeakPolarHBondContact OH-CB 3.36Å; Y285-D294 PolarHBondContact OH-N 2.75Å; D294-Q297 PolarHBondContact OD1-NE2 3.38Å; D294-Q297 VanDerWaalsContact OD1-NE2 3.07Å; D294-T319 HydrophobicContact CB-CG2 3.93Å
295Y97.7Very high98.2Very high107 Ų10726.7 Ų26.742%0.4212%0.115SC..Hα-helixtrans-89-27.7178.1-54.7-63.6000112.7D293 Q297 Q299D293-Y295 PolarHBondContact O-N 3.3Å; D293-Y295 PolarHBondContact OD1-N 2.69Å; D293-Y295 VanDerWaalsContact OD1-N 3.12Å; Y295-Q297 VanDerWaalsContact C-N 3.33Å; Y295-Q299 WeakPolarHBondContact O-CG 3.45Å; Y295-Q299 PolarHBondContact O-NE2 3.11Å
296M98.5Very high98.2Very high0 Ų026.4 Ų26.40%011%0.114CC..Hα-helixtrans-75.8-27.1176.4-168.352.158.100111.4Y136 V140 L141 N144 V292 D293 D298 Q299 L300Y136-M296 HydrophobicContact CD1-CE 4.42Å; Y136-M296 HydrophobicContact CE1-CE 3.4Å; Y136-M296 VanDerWaalsContact CE1-CE 3.4Å; Y136-M296 WeakPolarHBondContact OH-CB 3.23Å; Y136-M296 WeakPolarHBondContact OH-CE 3.46Å; Y136-M296 PolarHBondContact OH-N 3.04Å; Y136-M296 VanDerWaalsContact OH-N 3.16Å; V140-M296 HydrophobicContact CB-CE 4.31Å; V140-M296 HydrophobicContact CG1-CE 3.89Å; L141-M296 HydrophobicContact CB-CE 3.85Å; L141-M296 HydrophobicContact CD1-CE 3.86Å; L141-M296 HydrophobicContact CD1-SD 3.7Å; L141-M296 HydrophobicContact CG-CE 4.49Å; N144-M296 HydrophobicContact CB-CG 4.17Å; N144-M296 HydrophobicContact CB-SD 4.03Å; V292-M296 HydrophobicContact CG1-CB 3.59Å; V292-M296 HydrophobicContact CG1-CG 3.79Å; D293-M296 PolarHBondContact O-N 3.04Å; D293-M296 PolarHBondContact OD1-N 2.78Å; D293-M296 VanDerWaalsContact OD1-N 3.1Å; M296-D298 PolarHBondContact O-N 3.21Å; M296-Q299 PolarHBondContact O-N 2.92Å; M296-Q299 HydrophobicContact SD-CB 4.11Å; M296-L300 HydrophobicContact CG-CD1 3.8Å; M296-L300 HydrophobicContact CG-CD2 4.43Å; M296-L300 HydrophobicContact CG-CG 3.82Å; M296-L300 WeakPolarHBondContact O-CG 3.35Å; M296-L300 PolarHBondContact O-N 2.76Å; M296-L300 HydrophobicContact SD-CD1 4.38Å; M296-L300 HydrophobicContact SD-CD2 3.93Å; M296-L300 HydrophobicContact SD-CG 3.84Å
297Q98.4Very high98.3Very high0 Ų026.1 Ų26.10%011%0.113CC..Hα-helixtrans-49.6-56-179.8-71.617928.400112.7V292 D293 D294 Y295 I301 T315 K317 T322V292-Q297 HydrophobicContact CG1-CB 4.47Å; V292-Q297 HydrophobicContact CG1-CG 4.08Å; D293-Q297 WeakPolarHBondContact O-CG 3.43Å; D293-Q297 PolarHBondContact O-N 3.29Å; D294-Q297 PolarHBondContact OD1-NE2 3.38Å; D294-Q297 VanDerWaalsContact OD1-NE2 3.07Å; Y295-Q297 VanDerWaalsContact C-N 3.33Å; Q297-I301 WeakPolarHBondContact O-CG1 3.4Å; Q297-T315 HydrophobicContact CG-CG2 3.81Å; Q297-K317 PolarHBondContact NE2-O 2.8Å; Q297-T322 HydrophobicContact CB-CG2 3.86Å; Q297-T322 WeakPolarHBondContact CB-OG1 3.4Å; Q297-T322 PolarHBondContact OE1-OG1 3.3Å
298D98.4Very high98.4Very high12 Ų1222.1 Ų22.16%0.06410%0.104CC..Hα-helixtrans-74.6-29-176.567-75.9000112.6Q19 M296 H321 A325Q19-D298 PolarHBondContact NE2-OD2 3.19Å; Q19-D298 PolarHBondContact OE1-OD2 3.21Å; M296-D298 PolarHBondContact O-N 3.21Å; D298-H321 HydrophobicContact CB-CB 4.04Å; D298-A325 HydrophobicContact CB-CB 4.15Å
299Q98.5Very high98.4Very high13 Ų1318.7 Ų18.76%0.06110%0.098CC..Hα-helixtrans-67.3-36.2177.8-68.5-179.465.600112.2L141 Y295 M296 Y303L141-Q299 HydrophobicContact CD1-CB 4.43Å; Y295-Q299 WeakPolarHBondContact O-CG 3.45Å; Y295-Q299 PolarHBondContact O-NE2 3.11Å; M296-Q299 PolarHBondContact O-N 2.92Å; M296-Q299 HydrophobicContact SD-CB 4.11Å; Q299-Y303 VanDerWaalsContact O-CD2 3.23Å; Q299-Y303 WeakPolarHBondContact O-CD2 3.37Å; Q299-Y303 VanDerWaalsContact O-CE2 3.24Å; Q299-Y303 WeakPolarHBondContact O-CE2 3.43Å
300L98.7Very high98.5Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-76.5-20-178.9-68.2-177.1000114.2N144 L145 F148 L184 V292 M296 I302 Y303 M304 M313N144-L300 HydrophobicContact CB-CD2 4.3Å; L145-L300 HydrophobicContact CD2-CD2 3.67Å; F148-L300 HydrophobicContact CE2-CD2 3.93Å; L184-L300 HydrophobicContact CD1-CD1 3.63Å; V292-L300 HydrophobicContact CG1-CD1 4.05Å; V292-L300 HydrophobicContact CG2-CD1 3.94Å; M296-L300 HydrophobicContact CG-CD1 3.8Å; M296-L300 HydrophobicContact CG-CD2 4.43Å; M296-L300 HydrophobicContact CG-CG 3.82Å; M296-L300 WeakPolarHBondContact O-CG 3.35Å; M296-L300 PolarHBondContact O-N 2.76Å; M296-L300 HydrophobicContact SD-CD1 4.38Å; M296-L300 HydrophobicContact SD-CD2 3.93Å; M296-L300 HydrophobicContact SD-CG 3.84Å; L300-I302 VanDerWaalsContact C-N 3.33Å; L300-I302 PolarHBondContact O-N 2.91Å; L300-Y303 PolarHBondContact O-N 3.27Å; L300-Y303 VanDerWaalsContact O-N 3.07Å; L300-M304 WeakPolarHBondContact O-CG 3.46Å; L300-M304 PolarHBondContact O-N 3.27Å; L300-M313 HydrophobicContact CB-SD 4.36Å; L300-M313 HydrophobicContact CD1-SD 4.38Å
301I98.8Very high98.5Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-55.9-44.7-174.5-62.8-54.9000112.7Q297 Y303 M304 A305 M313 T322 A325 I326 A329 F337 V349Q297-I301 WeakPolarHBondContact O-CG1 3.4Å; I301-Y303 VanDerWaalsContact C-N 3.29Å; I301-Y303 PolarHBondContact O-N 3.05Å; I301-M304 HydrophobicContact CD1-SD 4.42Å; I301-M304 PolarHBondContact O-N 3.23Å; I301-A305 WeakPolarHBondContact O-CB 3.47Å; I301-A305 PolarHBondContact O-N 2.84Å; I301-M313 HydrophobicContact CD1-CE 3.55Å; I301-T322 HydrophobicContact CD1-CG2 4.31Å; I301-T322 HydrophobicContact CG1-CG2 4.45Å; I301-A325 HydrophobicContact CB-CB 3.99Å; I301-A325 HydrophobicContact CG1-CB 3.96Å; I301-A325 HydrophobicContact CG2-CB 4.15Å; I301-I326 HydrophobicContact CD1-CD1 4.17Å; I301-I326 HydrophobicContact CD1-CG1 3.64Å; I301-I326 HydrophobicContact CG1-CG1 4.07Å; I301-I326 HydrophobicContact CG2-CG1 4.2Å; I301-A329 HydrophobicContact CG2-CB 3.8Å; I301-F337 HydrophobicContact CD1-CD1 4.4Å; I301-F337 HydrophobicContact CD1-CE1 3.92Å; I301-F337 HydrophobicContact CG2-CE1 4.18Å; I301-F337 HydrophobicContact CG2-CE2 4.16Å; I301-F337 HydrophobicContact CG2-CZ 3.7Å; I301-V349 HydrophobicContact CD1-CG1 4.45Å
302I98.8Very high98.5Very high6 Ų620.5 Ų20.53%0.03110%0.102CC..Hα-helixtrans-61.9-39.3-179.6-171.6165.9000111.5L27 I30 P109 L300 L306L27-I302 HydrophobicContact CD2-CD1 4.09Å; L27-I302 HydrophobicContact CD2-CG1 3.81Å; L27-I302 HydrophobicContact CG-CD1 3.89Å; L27-I302 HydrophobicContact CG-CG1 4.04Å; I30-I302 HydrophobicContact CD1-CD1 4.4Å; P109-I302 HydrophobicContact CB-CD1 3.78Å; P109-I302 HydrophobicContact CB-CG1 4.42Å; P109-I302 HydrophobicContact CG-CD1 4.05Å; P109-I302 HydrophobicContact CG-CG2 4.13Å; L300-I302 VanDerWaalsContact C-N 3.33Å; L300-I302 PolarHBondContact O-N 2.91Å; I302-L306 HydrophobicContact CG1-CD1 3.95Å; I302-L306 WeakPolarHBondContact O-CD1 3.49Å; I302-L306 VanDerWaalsContact O-CG 3.26Å; I302-L306 WeakPolarHBondContact O-CG 3.44Å; I302-L306 PolarHBondContact O-N 2.9Å
303Y98.8Very high98.5Very high7 Ų720.5 Ų20.53%0.02710%0.103CC..Hα-helixtrans-71.9-40.9178.5-55.3-86.6000111.3P109 L112 L145 L179 Q299 L300 I301 A305 L306 A307P109-Y303 HydrophobicContact CG-CE1 4.4Å; L112-Y303 HydrophobicContact CD1-CD1 4.28Å; L112-Y303 HydrophobicContact CD1-CE1 3.67Å; L145-Y303 HydrophobicContact CD1-CE1 4.02Å; L145-Y303 HydrophobicContact CD1-CE2 4.21Å; L145-Y303 HydrophobicContact CD2-CD1 3.88Å; L145-Y303 HydrophobicContact CD2-CD2 3.55Å; L145-Y303 HydrophobicContact CD2-CE1 3.86Å; L145-Y303 HydrophobicContact CD2-CE2 3.54Å; L145-Y303 HydrophobicContact CD2-CG 3.72Å; L179-Y303 HydrophobicContact CD1-CD1 4.14Å; Q299-Y303 VanDerWaalsContact O-CD2 3.23Å; Q299-Y303 WeakPolarHBondContact O-CD2 3.37Å; Q299-Y303 VanDerWaalsContact O-CE2 3.24Å; Q299-Y303 WeakPolarHBondContact O-CE2 3.43Å; L300-Y303 PolarHBondContact O-N 3.27Å; L300-Y303 VanDerWaalsContact O-N 3.07Å; I301-Y303 VanDerWaalsContact C-N 3.29Å; I301-Y303 PolarHBondContact O-N 3.05Å; Y303-A305 VanDerWaalsContact C-N 3.33Å; Y303-A305 PolarHBondContact O-N 3.01Å; Y303-L306 PolarHBondContact O-N 2.75Å; Y303-A307 VanDerWaalsContact O-CB 3.26Å; Y303-A307 WeakPolarHBondContact O-CB 3.37Å; Y303-A307 PolarHBondContact O-N 3.47Å
304M98.9Very high98.5Very high2 Ų223.1 Ų23.11%0.0111%0.112CC..Hα-helixtrans-59.4-43.2174.2-68.2179.168.700112.1F148 L300 I301 L306 M313 F337 C351 G353F148-M304 HydrophobicContact CE1-CG 3.9Å; F148-M304 HydrophobicContact CZ-CG 3.73Å; L300-M304 WeakPolarHBondContact O-CG 3.46Å; L300-M304 PolarHBondContact O-N 3.27Å; I301-M304 HydrophobicContact CD1-SD 4.42Å; I301-M304 PolarHBondContact O-N 3.23Å; M304-L306 VanDerWaalsContact C-N 3.33Å; M304-L306 PolarHBondContact O-N 3.05Å; M304-M313 HydrophobicContact CE-CG 4.27Å; M304-M313 HydrophobicContact SD-CE 3.86Å; M304-M313 HydrophobicContact SD-CG 4.03Å; M304-M313 HydrophobicContact SD-SD 3.81Å; M304-F337 HydrophobicContact CB-CE1 4.06Å; M304-F337 HydrophobicContact CB-CZ 4.17Å; M304-F337 HydrophobicContact CE-CE1 4.11Å; M304-F337 HydrophobicContact SD-CE1 4.32Å; M304-C351 PolarHBondContact O-SG 2.75Å; M304-C351 VanDerWaalsContact O-SG 3.37Å; M304-G353 WeakPolarHBondContact O-CA 3.1Å
305A98.9Very high98.6Very high0 Ų020.8 Ų20.80%010%0.1CC..Hα-helixtrans-67.9-31.3179.900000112.8I301 Y303 A329 T333 F337 G353 L354I301-A305 WeakPolarHBondContact O-CB 3.47Å; I301-A305 PolarHBondContact O-N 2.84Å; Y303-A305 VanDerWaalsContact C-N 3.33Å; Y303-A305 PolarHBondContact O-N 3.01Å; A305-A329 HydrophobicContact CB-CB 4.04Å; A305-T333 HydrophobicContact CB-CG2 4.27Å; A305-F337 HydrophobicContact CB-CE2 4.14Å; A305-F337 HydrophobicContact CB-CZ 4.07Å; A305-G353 WeakPolarHBondContact O-CA 3.49Å; A305-L354 WeakPolarHBondContact O-CB 3.38Å; A305-L354 PolarHBondContact O-N 3.21Å
306L98.8Very high98.5Very high1 Ų116 Ų161%0.0058%0.084CC..Hα-helixtrans-89.3-23.9-179.1-68.1169.3000113.5L27 I30 L31 F113 L179 I302 Y303 M304 G355 H356L27-L306 HydrophobicContact CD2-CD1 4.29Å; L27-L306 HydrophobicContact CD2-CD2 4.14Å; L27-L306 HydrophobicContact CD2-CG 4.23Å; I30-L306 HydrophobicContact CD1-CD1 3.62Å; I30-L306 HydrophobicContact CG2-CD1 4.16Å; I30-L306 HydrophobicContact CG2-CD2 3.84Å; L31-L306 HydrophobicContact CD2-CD2 4.31Å; F113-L306 HydrophobicContact CE2-CD1 4.05Å; L179-L306 HydrophobicContact CD1-CB 3.8Å; L179-L306 HydrophobicContact CD1-CD1 4.5Å; I302-L306 HydrophobicContact CG1-CD1 3.95Å; I302-L306 WeakPolarHBondContact O-CD1 3.49Å; I302-L306 VanDerWaalsContact O-CG 3.26Å; I302-L306 WeakPolarHBondContact O-CG 3.44Å; I302-L306 PolarHBondContact O-N 2.9Å; Y303-L306 PolarHBondContact O-N 2.75Å; M304-L306 VanDerWaalsContact C-N 3.33Å; M304-L306 PolarHBondContact O-N 3.05Å; L306-G355 PolarHBondContact O-N 2.79Å; L306-H356 HydrophobicContact CD2-CB 3.95Å; L306-H356 PolarHBondContact O-N 2.82Å
307A98.8Very high98.4Very high0 Ų024.5 Ų24.50%012%0.12CC..SBendtrans-61.2153.1-176.100000114.6F148 L179 N180 Y303 G353 G355F148-A307 HydrophobicContact CD1-CB 4.17Å; F148-A307 HydrophobicContact CE1-CB 4.43Å; L179-A307 HydrophobicContact CB-CB 4.09Å; L179-A307 WeakPolarHBondContact O-CA 3.17Å; N180-A307 WeakPolarHBondContact O-CB 3.31Å; Y303-A307 VanDerWaalsContact O-CB 3.26Å; Y303-A307 WeakPolarHBondContact O-CB 3.37Å; Y303-A307 PolarHBondContact O-N 3.47Å; A307-G353 CarbonylContact O-C 3.54Å; A307-G353 VanDerWaalsContact O-C 3.26Å; A307-G353 VanDerWaalsContact O-CA 3.22Å; A307-G353 WeakPolarHBondContact O-CA 3.28Å; A307-G355 WeakPolarHBondContact O-CA 3.45Å; A307-G355 PolarHBondContact O-N 3.15Å
308V98.4Very high98.4Very high58 Ų5825.2 Ų25.235%0.35212%0.124SC..BIsolated β-bridgetrans-77.6131.3169.2178.70000109.6K178 L179 S181K178-V308 HydrophobicContact CB-CG2 4.26Å; K178-V308 HydrophobicContact CD-CG2 4.07Å; K178-V308 HydrophobicContact CG-CG2 4.49Å; L179-V308 PolarHBondContact O-N 2.99Å; S181-V308 VanDerWaalsContact CB-O 3.29Å; S181-V308 WeakPolarHBondContact CB-O 3.45Å; S181-V308 PolarHBondContact N-O 3.06Å
309G98.2Very high98.4Very high31 Ų3126.2 Ų26.232%0.3213%0.131SC..SBendtrans88-157.6174.800000113.2K352 G353G309-K352 CarbonylContact O-C 3.21Å; G309-K352 WeakPolarHBondContact O-CA 3.46Å; G309-G353 PolarHBondContact O-N 3.29Å
310R98.6Very high98.3Very high120 Ų12029.7 Ų29.745%0.45315%0.15SC..EExtended strand (participates in β ladder)trans-101.3116.5-176.5-169.3174.6-162.9108.311.4110.7S181 D338 S350 C351S181-R310 VanDerWaalsContact CB-O 3.26Å; S181-R310 WeakPolarHBondContact CB-O 3.43Å; R310-D338 IonicContact CZ-OD2 3.3Å; R310-D338 IonicContact NH2-OD2 3.75Å; R310-D338 PolarHBondContact NH2-OD2 2.92Å; R310-S350 PolarHBondContact NH2-OG 3.01Å; R310-C351 WeakPolarHBondContact CA-O 3.27Å
311S98.8Very high98.2Very high0 Ų032.9 Ų32.90%017%0.165CC..EExtended strand (participates in β ladder)trans-94.2143.6171-57.90000109.9S181 G182 S350 C351S181-S311 WeakPolarHBondContact CA-OG 3.39Å; G182-S311 PolarHBondContact N-OG 3.03Å; G182-S311 CarbonylContact O-C 3.26Å; G182-S311 VanDerWaalsContact O-CA 3.22Å; G182-S311 WeakPolarHBondContact O-CA 3.38Å; S311-S350 WeakPolarHBondContact O-CA 3.35Å; S311-S350 WeakPolarHBondContact O-CB 3.39Å; S311-C351 PolarHBondContact N-O 3Å; S311-C351 PolarHBondContact O-N 3.41Å
312T98.7Very high98.1Very high24 Ų2432.9 Ų32.915%0.14717%0.165CC..EExtended strand (participates in β ladder)trans-143.8135.6178.2-54.40000110.1G182 L184 V185 L348 V349G182-T312 PolarHBondContact O-N 3.2Å; L184-T312 PolarHBondContact N-O 3.15Å; V185-T312 HydrophobicContact CG2-CG2 3.55Å; T312-L348 HydrophobicContact CG2-CD1 3.47Å; T312-L348 VanDerWaalsContact CG2-CD1 3.47Å; T312-L348 HydrophobicContact CG2-CD2 4.15Å; T312-L348 HydrophobicContact CG2-CG 3.71Å; T312-V349 CarbonylContact C-O 3.59Å; T312-V349 WeakPolarHBondContact CA-O 3.39Å
313M98.5Very high98.1Very high1 Ų138.1 Ų38.11%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-132.8142.7172.460.8178-17900111.9L184 V292 L300 I301 M304 T315 V349L184-M313 HydrophobicContact CB-CB 4.12Å; L184-M313 CarbonylContact O-C 3.58Å; L184-M313 VanDerWaalsContact O-CA 3.32Å; L184-M313 WeakPolarHBondContact O-CA 3.36Å; V292-M313 HydrophobicContact CB-SD 4.37Å; V292-M313 HydrophobicContact CG1-SD 4.09Å; V292-M313 HydrophobicContact CG2-CB 3.71Å; V292-M313 HydrophobicContact CG2-CG 4.48Å; V292-M313 HydrophobicContact CG2-SD 4.16Å; L300-M313 HydrophobicContact CB-SD 4.36Å; L300-M313 HydrophobicContact CD1-SD 4.38Å; I301-M313 HydrophobicContact CD1-CE 3.55Å; M304-M313 HydrophobicContact CE-CG 4.27Å; M304-M313 HydrophobicContact SD-CE 3.86Å; M304-M313 HydrophobicContact SD-CG 4.03Å; M304-M313 HydrophobicContact SD-SD 3.81Å; M313-T315 HydrophobicContact CB-CG2 4.34Å; M313-T315 HydrophobicContact CE-CG2 4.15Å; M313-T315 HydrophobicContact CG-CG2 3.77Å; M313-T315 HydrophobicContact SD-CG2 3.93Å; M313-V349 HydrophobicContact CE-CB 3.76Å; M313-V349 HydrophobicContact CE-CG1 3.74Å; M313-V349 HydrophobicContact CE-CG2 4.14Å; M313-V349 HydrophobicContact CG-CB 3.94Å; M313-V349 PolarHBondContact N-O 3.39Å; M313-V349 PolarHBondContact O-N 3.41Å
314R98.4Very high98.1Very high54 Ų5437.8 Ų37.820%0.20418%0.183CC..EExtended strand (participates in β ladder)trans-99.5121.7172177.1177-72151.8-4.8109.6L184 V185 C291 V292 E342 Q346 M347 L348L184-R314 PolarHBondContact O-N 3.26Å; V185-R314 VanDerWaalsContact O-CZ 3.29Å; V185-R314 PolarHBondContact O-NH1 3.33Å; C291-R314 WeakPolarHBondContact CA-O 3.39Å; C291-R314 HydrophobicContact CB-CB 4.21Å; C291-R314 PolarHBondContact N-O 3.43Å; V292-R314 PolarHBondContact N-O 2.69Å; V292-R314 VanDerWaalsContact N-O 3.15Å; R314-E342 IonicContact CZ-OE1 3.78Å; R314-E342 IonicContact CZ-OE2 2.69Å; R314-E342 IonicContact NE-OE1 2.83Å; R314-E342 IonicContact NE-OE2 3.58Å; R314-E342 PolarHBondContact NE-OE2 3.24Å; R314-E342 IonicContact NH2-OE1 2.83Å; R314-E342 PolarHBondContact NH2-OE1 3.24Å; R314-E342 IonicContact NH2-OE2 3.44Å; R314-E342 PolarHBondContact NH2-OE2 2.84Å; R314-Q346 HydrophobicContact CG-CB 3.86Å; R314-Q346 HydrophobicContact CG-CG 4.16Å; R314-M347 CarbonylContact C-O 3.57Å; R314-M347 WeakPolarHBondContact CA-O 3.31Å; R314-L348 HydrophobicContact CB-CD1 4.35Å
315T98.4Very high98.1Very high0 Ų037.7 Ų37.70%018%0.182CC..EExtended strand (participates in β ladder)trans-128.7172.4-17178.20000111.1V292 Q297 M313 Q346 M347 V349V292-T315 HydrophobicContact CB-CG2 4.15Å; Q297-T315 HydrophobicContact CG-CG2 3.81Å; M313-T315 HydrophobicContact CB-CG2 4.34Å; M313-T315 HydrophobicContact CE-CG2 4.15Å; M313-T315 HydrophobicContact CG-CG2 3.77Å; M313-T315 HydrophobicContact SD-CG2 3.93Å; T315-Q346 WeakPolarHBondContact O-CA 3.43Å; T315-Q346 WeakPolarHBondContact O-CB 3.16Å; T315-M347 PolarHBondContact N-O 3.48Å; T315-M347 PolarHBondContact O-N 3.37Å; T315-V349 HydrophobicContact CG2-CG2 4.35Å
316G97Very high98Very high8 Ų838.5 Ų38.58%0.08219%0.186CC..SBendtrans-70.7-161.6160.400000111.7L318 M347G316-L318 PolarHBondContact O-N 2.94Å; G316-M347 WeakPolarHBondContact O-CB 3.5Å; G316-M347 VanDerWaalsContact O-CG 3.23Å; G316-M347 WeakPolarHBondContact O-CG 3.36Å
317K96.5Very high98Very high177 Ų17740.2 Ų40.277%0.7720%0.196SC*.SBendtrans-57.2139.5170-68.8-177.4179.9179.70109.6Q297 T319Q297-K317 PolarHBondContact NE2-O 2.8Å; K317-T319 PolarHBondContact O-N 3.41Å
318L97.9Very high98Very high15 Ų1540.3 Ų40.38%0.07920%0.196CC..PPolyproline II helixtrans-66.8126.1177.7-80.173.2000110.5G316 T322 R323 I326 V339 M347 V349G316-L318 PolarHBondContact O-N 2.94Å; L318-T322 HydrophobicContact CD2-CG2 4.2Å; L318-T322 HydrophobicContact CG-CG2 4.15Å; L318-R323 HydrophobicContact CB-CG 4.08Å; L318-R323 HydrophobicContact CD2-CG 4.26Å; L318-I326 HydrophobicContact CD2-CD1 3.88Å; L318-V339 HydrophobicContact CD1-CG1 3.67Å; L318-V339 HydrophobicContact CD2-CG1 3.85Å; L318-V339 HydrophobicContact CD2-CG2 3.9Å; L318-V339 HydrophobicContact CG-CG1 4.43Å; L318-M347 HydrophobicContact CD1-CB 3.52Å; L318-M347 HydrophobicContact CD1-CE 4.14Å; L318-M347 HydrophobicContact CD1-CG 3.6Å; L318-V349 HydrophobicContact CD1-CG2 4.06Å; L318-V349 HydrophobicContact CD2-CG2 4.32Å; L318-V349 HydrophobicContact CG-CG2 4.36Å
319T97.1Very high98Very high33 Ų3337.6 Ų37.620%0.20218%0.18CC..PPolyproline II helixtrans-70.2161.8171.179.90000110.9D294 K317 H321 T322 R323D294-T319 HydrophobicContact CB-CG2 3.93Å; K317-T319 PolarHBondContact O-N 3.41Å; T319-H321 PolarHBondContact O-N 2.72Å; T319-H321 PolarHBondContact OG1-N 3.08Å; T319-T322 PolarHBondContact O-N 3.46Å; T319-T322 PolarHBondContact OG1-N 3.05Å; T319-T322 PolarHBondContact OG1-OG1 3Å; T319-R323 WeakPolarHBondContact O-CG 3.41Å; T319-R323 PolarHBondContact O-N 3.5Å
320N96.6Very high98Very high86 Ų8638.1 Ų38.146%0.4617%0.174SC..Hα-helixtrans-63.1-29172.4-73.5-11.7000112.1E15 T324E15-N320 HydrophobicContact CB-CB 3.95Å; N320-T324 WeakPolarHBondContact O-CB 3.15Å; N320-T324 PolarHBondContact O-N 3.46Å; N320-T324 PolarHBondContact O-OG1 3.39Å
321H96.9Very high98Very high67 Ų6736.3 Ų36.331%0.3117%0.171SC..Hα-helixtrans-65.7-45.1173.5-58.193.2000110.6E15 Q19 D298 T319 R323 T324 A325E15-H321 IonicContact OE2-CD2 3.86Å; E15-H321 IonicContact OE2-NE2 3.8Å; Q19-H321 HydrophobicContact CG-CB 4.45Å; D298-H321 HydrophobicContact CB-CB 4.04Å; T319-H321 PolarHBondContact O-N 2.72Å; T319-H321 PolarHBondContact OG1-N 3.08Å; H321-R323 PolarHBondContact O-N 2.85Å; H321-T324 PolarHBondContact O-N 3.03Å; H321-A325 WeakPolarHBondContact O-CB 3.12Å; H321-A325 PolarHBondContact O-N 2.66Å
322T98.2Very high98Very high0 Ų036.3 Ų36.30%017%0.171CC..Hα-helixtrans-60.1-46177.2-47.80000111.3Q297 I301 L318 T319 T324 A325 I326Q297-T322 HydrophobicContact CB-CG2 3.86Å; Q297-T322 WeakPolarHBondContact CB-OG1 3.4Å; Q297-T322 PolarHBondContact OE1-OG1 3.3Å; I301-T322 HydrophobicContact CD1-CG2 4.31Å; I301-T322 HydrophobicContact CG1-CG2 4.45Å; L318-T322 HydrophobicContact CD2-CG2 4.2Å; L318-T322 HydrophobicContact CG-CG2 4.15Å; T319-T322 PolarHBondContact O-N 3.46Å; T319-T322 PolarHBondContact OG1-N 3.05Å; T319-T322 PolarHBondContact OG1-OG1 3Å; T322-T324 VanDerWaalsContact C-N 3.33Å; T322-T324 PolarHBondContact O-N 2.62Å; T322-A325 PolarHBondContact O-N 2.95Å; T322-I326 HydrophobicContact CG2-CD1 4.2Å; T322-I326 WeakPolarHBondContact O-CG1 3.43Å; T322-I326 PolarHBondContact O-N 3.29Å
323R98.3Very high98Very high116 Ų11635.9 Ų35.944%0.43817%0.168SC..Hα-helixtrans-64.1-37.8178.3-66.7175.1-176.6-80.20.4112.4L14 L318 T319 H321 N327L14-R323 HydrophobicContact CD1-CB 3.37Å; L14-R323 HydrophobicContact CD1-CG 4.48Å; L318-R323 HydrophobicContact CB-CG 4.08Å; L318-R323 HydrophobicContact CD2-CG 4.26Å; T319-R323 WeakPolarHBondContact O-CG 3.41Å; T319-R323 PolarHBondContact O-N 3.5Å; H321-R323 PolarHBondContact O-N 2.85Å; R323-N327 WeakPolarHBondContact O-CB 3.3Å; R323-N327 PolarHBondContact O-N 2.95Å
324T97.7Very high97.9Very high1 Ų138.4 Ų38.41%0.00619%0.194CC..Hα-helixtrans-66-46.3175.1-55.50000110.7E15 Q19 A20 N320 H321 T322 I326 N327 V328E15-T324 HydrophobicContact CG-CG2 4.37Å; Q19-T324 HydrophobicContact CB-CG2 4.18Å; Q19-T324 HydrophobicContact CG-CG2 4.41Å; A20-T324 HydrophobicContact CB-CG2 3.79Å; N320-T324 WeakPolarHBondContact O-CB 3.15Å; N320-T324 PolarHBondContact O-N 3.46Å; N320-T324 PolarHBondContact O-OG1 3.39Å; H321-T324 PolarHBondContact O-N 3.03Å; T322-T324 VanDerWaalsContact C-N 3.33Å; T322-T324 PolarHBondContact O-N 2.62Å; T324-I326 PolarHBondContact O-N 2.57Å; T324-N327 PolarHBondContact O-N 2.79Å; T324-V328 HydrophobicContact CG2-CG2 4.48Å; T324-V328 VanDerWaalsContact O-CG2 3.28Å; T324-V328 WeakPolarHBondContact O-CG2 3.27Å; T324-V328 PolarHBondContact O-N 3.39Å
325A98.5Very high97.9Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-60.9-43.3177.900000111.8Q19 D298 I301 H321 T322 A329Q19-A325 HydrophobicContact CG-CB 4.33Å; D298-A325 HydrophobicContact CB-CB 4.15Å; I301-A325 HydrophobicContact CB-CB 3.99Å; I301-A325 HydrophobicContact CG1-CB 3.96Å; I301-A325 HydrophobicContact CG2-CB 4.15Å; H321-A325 WeakPolarHBondContact O-CB 3.12Å; H321-A325 PolarHBondContact O-N 2.66Å; T322-A325 PolarHBondContact O-N 2.95Å; A325-A329 VanDerWaalsContact O-CB 3.3Å; A325-A329 WeakPolarHBondContact O-CB 3.23Å; A325-A329 PolarHBondContact O-N 2.86Å
326I98.7Very high98Very high16 Ų1642.7 Ų42.78%0.08222%0.215CC..Hα-helixtrans-57.7-55.7174-73.5169.3000109.7I301 L318 T322 T324 V328 A329 E330 F337 V339 V349I301-I326 HydrophobicContact CD1-CD1 4.17Å; I301-I326 HydrophobicContact CD1-CG1 3.64Å; I301-I326 HydrophobicContact CG1-CG1 4.07Å; I301-I326 HydrophobicContact CG2-CG1 4.2Å; L318-I326 HydrophobicContact CD2-CD1 3.88Å; T322-I326 HydrophobicContact CG2-CD1 4.2Å; T322-I326 WeakPolarHBondContact O-CG1 3.43Å; T322-I326 PolarHBondContact O-N 3.29Å; T324-I326 PolarHBondContact O-N 2.57Å; I326-V328 VanDerWaalsContact C-N 3.29Å; I326-V328 PolarHBondContact O-N 2.86Å; I326-A329 PolarHBondContact O-N 3.41Å; I326-A329 VanDerWaalsContact O-N 3.08Å; I326-E330 HydrophobicContact CG2-CG 4.18Å; I326-E330 WeakPolarHBondContact O-CG 3.24Å; I326-E330 PolarHBondContact O-N 2.95Å; I326-F337 HydrophobicContact CD1-CB 4.49Å; I326-F337 HydrophobicContact CG1-CB 4.4Å; I326-F337 HydrophobicContact CG1-CD1 4.16Å; I326-F337 HydrophobicContact CG1-CG 4.11Å; I326-F337 HydrophobicContact CG2-CB 3.67Å; I326-F337 HydrophobicContact CG2-CD2 4Å; I326-F337 HydrophobicContact CG2-CG 3.91Å; I326-V339 HydrophobicContact CD1-CG2 4.19Å; I326-V349 HydrophobicContact CD1-CG1 4.18Å
327N98.4Very high98Very high38 Ų3843.1 Ų43.120%0.20322%0.215CC..Hα-helixtrans-56-43.4-176.8174.3-96.1000112.6Y13 R323 T324 E330 Q331Y13-N327 HydrophobicContact CD1-CB 4.21Å; Y13-N327 HydrophobicContact CE1-CB 3.7Å; R323-N327 WeakPolarHBondContact O-CB 3.3Å; R323-N327 PolarHBondContact O-N 2.95Å; T324-N327 PolarHBondContact O-N 2.79Å; N327-E330 PolarHBondContact O-N 3.46Å; N327-Q331 WeakPolarHBondContact O-CG 3.34Å; N327-Q331 PolarHBondContact O-N 3.25Å; N327-Q331 VanDerWaalsContact O-N 3.11Å; N327-Q331 PolarHBondContact OD1-NE2 3.44Å
328V98.4Very high98.1Very high1 Ų138.9 Ų38.91%0.00620%0.201CC..Hα-helixtrans-67.6-42.9177.7174.90000111.1I9 A20 N23 A24 T324 I326 E330 Q331 M332I9-V328 HydrophobicContact CG2-CG2 4.1Å; A20-V328 HydrophobicContact CB-CG2 3.93Å; N23-V328 HydrophobicContact CB-CB 4.26Å; N23-V328 HydrophobicContact CB-CG1 3.77Å; A24-V328 HydrophobicContact CB-CG1 3.94Å; T324-V328 HydrophobicContact CG2-CG2 4.48Å; T324-V328 VanDerWaalsContact O-CG2 3.28Å; T324-V328 WeakPolarHBondContact O-CG2 3.27Å; T324-V328 PolarHBondContact O-N 3.39Å; I326-V328 VanDerWaalsContact C-N 3.29Å; I326-V328 PolarHBondContact O-N 2.86Å; V328-E330 VanDerWaalsContact C-N 3.34Å; V328-E330 PolarHBondContact O-N 2.89Å; V328-Q331 PolarHBondContact O-N 3.47Å; V328-M332 HydrophobicContact CG1-CG 4.09Å; V328-M332 WeakPolarHBondContact O-CB 3.38Å; V328-M332 VanDerWaalsContact O-CG 3.23Å; V328-M332 WeakPolarHBondContact O-CG 3.35Å; V328-M332 PolarHBondContact O-N 2.85Å
329A98.7Very high98.2Very high1 Ų141 Ų411%0.00821%0.214CC..Hα-helixtrans-60-44.5176.700000111.6L27 I301 A305 A325 I326 Q331 M332 T333 F337L27-A329 HydrophobicContact CD1-CB 4.32Å; I301-A329 HydrophobicContact CG2-CB 3.8Å; A305-A329 HydrophobicContact CB-CB 4.04Å; A325-A329 VanDerWaalsContact O-CB 3.3Å; A325-A329 WeakPolarHBondContact O-CB 3.23Å; A325-A329 PolarHBondContact O-N 2.86Å; I326-A329 PolarHBondContact O-N 3.41Å; I326-A329 VanDerWaalsContact O-N 3.08Å; A329-Q331 PolarHBondContact O-N 2.79Å; A329-M332 PolarHBondContact O-N 2.98Å; A329-T333 WeakPolarHBondContact O-CB 3.44Å; A329-T333 WeakPolarHBondContact O-CG2 3.39Å; A329-T333 PolarHBondContact O-N 3.27Å; A329-T333 PolarHBondContact O-OG1 2.81Å; A329-F337 HydrophobicContact CB-CE2 4.03Å
330E98.6Very high98.2Very high43 Ų4342 Ų4220%0.20123%0.226CC..Hα-helixtrans-61.9-42177.3-62-161.5146.300112.4I326 N327 V328 G334 V335 K336 F337I326-E330 HydrophobicContact CG2-CG 4.18Å; I326-E330 WeakPolarHBondContact O-CG 3.24Å; I326-E330 PolarHBondContact O-N 2.95Å; N327-E330 PolarHBondContact O-N 3.46Å; V328-E330 VanDerWaalsContact C-N 3.34Å; V328-E330 PolarHBondContact O-N 2.89Å; E330-G334 VanDerWaalsContact O-CA 3.23Å; E330-G334 WeakPolarHBondContact O-CA 3.3Å; E330-G334 PolarHBondContact O-N 2.85Å; E330-V335 VanDerWaalsContact CA-O 3.29Å; E330-V335 WeakPolarHBondContact CA-O 3.24Å; E330-V335 WeakPolarHBondContact CB-O 3Å; E330-V335 VanDerWaalsContact CG-O 3.23Å; E330-V335 WeakPolarHBondContact CG-O 3.33Å; E330-K336 WeakPolarHBondContact OE1-CA 3.44Å; E330-K336 IonicContact OE2-NZ 2.72Å; E330-F337 HydrophobicContact CG-CD2 4.01Å; E330-F337 PolarHBondContact OE1-N 3.42Å
331Q98.2Very high98.3Very high81 Ų8144.9 Ų44.938%0.37924%0.238SC..Hα-helixtrans-66.5-44.3178.4-72.5-173.973.200112.3L7 I9 N327 V328 A329L7-Q331 HydrophobicContact CD2-CB 4.47Å; L7-Q331 WeakPolarHBondContact CD2-O 3.17Å; I9-Q331 HydrophobicContact CD1-CB 3.95Å; N327-Q331 WeakPolarHBondContact O-CG 3.34Å; N327-Q331 PolarHBondContact O-N 3.25Å; N327-Q331 VanDerWaalsContact O-N 3.11Å; N327-Q331 PolarHBondContact OD1-NE2 3.44Å; V328-Q331 PolarHBondContact O-N 3.47Å; A329-Q331 PolarHBondContact O-N 2.79Å
332M98.2Very high98.2Very high1 Ų143.6 Ų43.61%0.00523%0.232CC..Hα-helixtrans-75.1-38.7-176.1-66-64.5-61.900112.8L7 I9 L27 L31 K33 V35 V328 A329L7-M332 HydrophobicContact CD2-CG 4.42Å; L7-M332 HydrophobicContact CD2-SD 3.47Å; L7-M332 WeakPolarHBondContact CD2-SD 3.24Å; L7-M332 HydrophobicContact CG-SD 4.37Å; I9-M332 HydrophobicContact CD1-SD 4.18Å; I9-M332 HydrophobicContact CG1-SD 4.22Å; L27-M332 HydrophobicContact CB-CB 3.96Å; L27-M332 HydrophobicContact CB-CE 4.14Å; L27-M332 HydrophobicContact CB-CG 4.07Å; L27-M332 HydrophobicContact CD1-CB 3.86Å; L27-M332 HydrophobicContact CD1-CG 4.05Å; L27-M332 HydrophobicContact CG-CB 4.47Å; L31-M332 HydrophobicContact CD1-CB 4.22Å; L31-M332 VanDerWaalsContact CD1-O 3.27Å; L31-M332 WeakPolarHBondContact CD1-O 3.29Å; K33-M332 PolarHBondContact NZ-O 3.16Å; V35-M332 HydrophobicContact CB-CE 4.33Å; V35-M332 HydrophobicContact CG2-CE 4.3Å; V35-M332 HydrophobicContact CG2-SD 3.96Å; V328-M332 HydrophobicContact CG1-CG 4.09Å; V328-M332 WeakPolarHBondContact O-CB 3.38Å; V328-M332 VanDerWaalsContact O-CG 3.23Å; V328-M332 WeakPolarHBondContact O-CG 3.35Å; V328-M332 PolarHBondContact O-N 2.85Å; A329-M332 PolarHBondContact O-N 2.98Å
333T98.2Very high97.9Very high14 Ų1450.5 Ų50.59%0.08628%0.277CS..Hα-helixtrans-103.3-23.4-17168.90000114L27 L31 A305 A329 V335L27-T333 HydrophobicContact CD2-CG2 3.88Å; L31-T333 HydrophobicContact CD1-CG2 4.03Å; A305-T333 HydrophobicContact CB-CG2 4.27Å; A329-T333 WeakPolarHBondContact O-CB 3.44Å; A329-T333 WeakPolarHBondContact O-CG2 3.39Å; A329-T333 PolarHBondContact O-N 3.27Å; A329-T333 PolarHBondContact O-OG1 2.81Å; T333-V335 PolarHBondContact O-N 3.25Å; T333-V335 VanDerWaalsContact OG1-CB 3.31Å; T333-V335 WeakPolarHBondContact OG1-CB 3.29Å; T333-V335 WeakPolarHBondContact OG1-CG2 3.33Å; T333-V335 PolarHBondContact OG1-N 3.25Å; T333-V335 VanDerWaalsContact OG1-N 3.11Å
334G97.9Very high97.6Very high54 Ų5447.8 Ų47.856%0.55729%0.285SS*.  trans77.1-5.2-169.300000114.7E330E330-G334 VanDerWaalsContact O-CA 3.23Å; E330-G334 WeakPolarHBondContact O-CA 3.3Å; E330-G334 PolarHBondContact O-N 2.85Å
335V98.5Very high97.4Very high12 Ų1249.8 Ų49.87%0.07331%0.306CS..  trans-61.2148.8173170.40000109.8E330 T333 F337 C351 K352 L354E330-V335 VanDerWaalsContact CA-O 3.29Å; E330-V335 WeakPolarHBondContact CA-O 3.24Å; E330-V335 WeakPolarHBondContact CB-O 3Å; E330-V335 VanDerWaalsContact CG-O 3.23Å; E330-V335 WeakPolarHBondContact CG-O 3.33Å; T333-V335 PolarHBondContact O-N 3.25Å; T333-V335 VanDerWaalsContact OG1-CB 3.31Å; T333-V335 WeakPolarHBondContact OG1-CB 3.29Å; T333-V335 WeakPolarHBondContact OG1-CG2 3.33Å; T333-V335 PolarHBondContact OG1-N 3.25Å; T333-V335 VanDerWaalsContact OG1-N 3.11Å; V335-F337 HydrophobicContact CG1-CD2 4.33Å; V335-F337 HydrophobicContact CG1-CE2 4.05Å; V335-C351 HydrophobicContact CG1-CB 3.62Å; V335-K352 WeakPolarHBondContact CG1-O 3.26Å; V335-L354 HydrophobicContact CG2-CB 4.13Å
336K98.6Very high97.3Very high133 Ų13351.3 Ų51.358%0.57831%0.313SS*.  trans-113.2133174.2-62.9-58.7-178.3-1730111.3E330 C351E330-K336 WeakPolarHBondContact OE1-CA 3.44Å; E330-K336 IonicContact OE2-NZ 2.72Å; K336-C351 VanDerWaalsContact O-CB 3.25Å; K336-C351 WeakPolarHBondContact O-CB 3.42Å
337F98.7Very high97.3Very high17 Ų1751.9 Ų51.98%0.07532%0.316CS..EExtended strand (participates in β ladder)trans-100.3124.5176.1-78.2-98.6000110.3I301 M304 A305 I326 A329 E330 V335 V349 S350 C351I301-F337 HydrophobicContact CD1-CD1 4.4Å; I301-F337 HydrophobicContact CD1-CE1 3.92Å; I301-F337 HydrophobicContact CG2-CE1 4.18Å; I301-F337 HydrophobicContact CG2-CE2 4.16Å; I301-F337 HydrophobicContact CG2-CZ 3.7Å; M304-F337 HydrophobicContact CB-CE1 4.06Å; M304-F337 HydrophobicContact CB-CZ 4.17Å; M304-F337 HydrophobicContact CE-CE1 4.11Å; M304-F337 HydrophobicContact SD-CE1 4.32Å; A305-F337 HydrophobicContact CB-CE2 4.14Å; A305-F337 HydrophobicContact CB-CZ 4.07Å; I326-F337 HydrophobicContact CD1-CB 4.49Å; I326-F337 HydrophobicContact CG1-CB 4.4Å; I326-F337 HydrophobicContact CG1-CD1 4.16Å; I326-F337 HydrophobicContact CG1-CG 4.11Å; I326-F337 HydrophobicContact CG2-CB 3.67Å; I326-F337 HydrophobicContact CG2-CD2 4Å; I326-F337 HydrophobicContact CG2-CG 3.91Å; A329-F337 HydrophobicContact CB-CE2 4.03Å; E330-F337 HydrophobicContact CG-CD2 4.01Å; E330-F337 PolarHBondContact OE1-N 3.42Å; V335-F337 HydrophobicContact CG1-CD2 4.33Å; V335-F337 HydrophobicContact CG1-CE2 4.05Å; F337-V349 HydrophobicContact CD1-CG1 3.91Å; F337-S350 CarbonylContact C-O 3.49Å; F337-S350 WeakPolarHBondContact CA-O 3.17Å; F337-C351 HydrophobicContact CD1-CB 3.77Å; F337-C351 HydrophobicContact CD2-CB 4.18Å; F337-C351 HydrophobicContact CE1-CB 3.82Å; F337-C351 VanDerWaalsContact CE1-SG 3.53Å; F337-C351 HydrophobicContact CE2-CB 4.22Å; F337-C351 HydrophobicContact CG-CB 3.95Å; F337-C351 HydrophobicContact CZ-CB 4.04Å; F337-C351 VanDerWaalsContact CZ-SG 3.56Å
338D98.5Very high97.3Very high88 Ų8852.2 Ų52.247%0.47132%0.317SS..EExtended strand (participates in β ladder)trans-91.3127.7170.2-58.4-51.4000108.8R310 V349 S350R310-D338 IonicContact CZ-OD2 3.3Å; R310-D338 IonicContact NH2-OD2 3.75Å; R310-D338 PolarHBondContact NH2-OD2 2.92Å; D338-V349 WeakPolarHBondContact O-CA 3.38Å; D338-S350 PolarHBondContact N-O 3.01Å; D338-S350 PolarHBondContact O-N 3.47Å
339V98.3Very high97.3Very high60 Ų6052.1 Ų52.136%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-122.5111.6176.6-179.60000108.8L318 I326 M347 L348 V349L318-V339 HydrophobicContact CD1-CG1 3.67Å; L318-V339 HydrophobicContact CD2-CG1 3.85Å; L318-V339 HydrophobicContact CD2-CG2 3.9Å; L318-V339 HydrophobicContact CG-CG1 4.43Å; I326-V339 HydrophobicContact CD1-CG2 4.19Å; V339-M347 HydrophobicContact CG1-CE 3.49Å; V339-M347 VanDerWaalsContact CG1-CE 3.49Å; V339-L348 WeakPolarHBondContact CA-O 3.48Å; V339-V349 HydrophobicContact CG1-CG2 4.49Å; V339-V349 HydrophobicContact CG2-CG1 4.37Å; V339-V349 HydrophobicContact CG2-CG2 4.32Å
340A98Very high97.3Very high54 Ų5452.6 Ų52.645%0.44632%0.32SS..EExtended strand (participates in β ladder)trans-118.9142.1-179.800000110.9M347 L348A340-M347 CarbonylContact O-C 3.49Å; A340-M347 WeakPolarHBondContact O-CA 3.35Å; A340-L348 PolarHBondContact N-O 3.04Å; A340-L348 PolarHBondContact O-N 3.42Å
341M97.8Very high97.3Very high145 Ų14550.6 Ų50.671%0.71431%0.311SS*.EExtended strand (participates in β ladder)trans-86.7129.4170.6-174.6173.265.600109.2M347M341-M347 HydrophobicContact CB-CE 4.09Å; M341-M347 HydrophobicContact CB-SD 3.8Å; M341-M347 HydrophobicContact CG-SD 3.95Å
342E96Very high97.3Very high40 Ų4054.2 Ų54.219%0.18733%0.325CS..  trans-87.7158.6174.9-68.9-175126.300111.1R314 G344 G345 Q346 L348R314-E342 IonicContact CZ-OE1 3.78Å; R314-E342 IonicContact CZ-OE2 2.69Å; R314-E342 IonicContact NE-OE1 2.83Å; R314-E342 IonicContact NE-OE2 3.58Å; R314-E342 PolarHBondContact NE-OE2 3.24Å; R314-E342 IonicContact NH2-OE1 2.83Å; R314-E342 PolarHBondContact NH2-OE1 3.24Å; R314-E342 IonicContact NH2-OE2 3.44Å; R314-E342 PolarHBondContact NH2-OE2 2.84Å; E342-G344 PolarHBondContact O-N 2.98Å; E342-G344 VanDerWaalsContact O-N 3.08Å; E342-G345 PolarHBondContact O-N 2.95Å; E342-Q346 PolarHBondContact N-O 3.48Å; E342-L348 HydrophobicContact CG-CB 4.26Å
343P92.2Very high97.3Very high146 Ų14654.6 Ų54.695%0.94833%0.33SS*.THydrogen-bonded Turntrans-55.7-28.3-179.5-27.935.7000114.8G345P343-G345 PolarHBondContact O-N 3.36Å
344G90.7Very high97.3Very high58 Ų5857.8 Ų57.860%0.59835%0.346SS*.THydrogen-bonded Turntrans-79.83.2176.500000114.8E342 Q346E342-G344 PolarHBondContact O-N 2.98Å; E342-G344 VanDerWaalsContact O-N 3.08Å; G344-Q346 VanDerWaalsContact C-N 3.3Å; G344-Q346 PolarHBondContact O-N 3.48Å; G344-Q346 PolarHBondContact O-OE1 2.9Å
345G93.4Very high97.4Very high44 Ų4456.3 Ų56.345%0.45433%0.331SS..SBendtrans82.20.9-179.500000114.8E342 P343E342-G345 PolarHBondContact O-N 2.95Å; P343-G345 PolarHBondContact O-N 3.36Å
346Q97.3Very high97.4Very high32 Ų3257.6 Ų57.615%0.1534%0.336CS..  trans-72160.8168.2-55.886.1-3.900110.6K288 V290 R314 T315 E342 G344K288-Q346 PolarHBondContact O-NE2 2.96Å; V290-Q346 HydrophobicContact CG1-CG 4.46Å; R314-Q346 HydrophobicContact CG-CB 3.86Å; R314-Q346 HydrophobicContact CG-CG 4.16Å; T315-Q346 WeakPolarHBondContact O-CA 3.43Å; T315-Q346 WeakPolarHBondContact O-CB 3.16Å; E342-Q346 PolarHBondContact N-O 3.48Å; G344-Q346 VanDerWaalsContact C-N 3.3Å; G344-Q346 PolarHBondContact O-N 3.48Å; G344-Q346 PolarHBondContact O-OE1 2.9Å
347M98.2Very high97.3Very high28 Ų2855 Ų5514%0.13833%0.331CS..EExtended strand (participates in β ladder)trans-108.5133.2172.3-56.4-61-57.500109.3R314 T315 G316 L318 V339 A340 M341R314-M347 CarbonylContact C-O 3.57Å; R314-M347 WeakPolarHBondContact CA-O 3.31Å; T315-M347 PolarHBondContact N-O 3.48Å; T315-M347 PolarHBondContact O-N 3.37Å; G316-M347 WeakPolarHBondContact O-CB 3.5Å; G316-M347 VanDerWaalsContact O-CG 3.23Å; G316-M347 WeakPolarHBondContact O-CG 3.36Å; L318-M347 HydrophobicContact CD1-CB 3.52Å; L318-M347 HydrophobicContact CD1-CE 4.14Å; L318-M347 HydrophobicContact CD1-CG 3.6Å; V339-M347 HydrophobicContact CG1-CE 3.49Å; V339-M347 VanDerWaalsContact CG1-CE 3.49Å; A340-M347 CarbonylContact O-C 3.49Å; A340-M347 WeakPolarHBondContact O-CA 3.35Å; M341-M347 HydrophobicContact CB-CE 4.09Å; M341-M347 HydrophobicContact CB-SD 3.8Å; M341-M347 HydrophobicContact CG-SD 3.95Å
348L98.4Very high97.3Very high44 Ų4454.7 Ų54.723%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-99.1116.3170.3-163.371.8000108.5V185 T312 R314 V339 A340 E342V185-L348 HydrophobicContact CG1-CD1 4.21Å; V185-L348 HydrophobicContact CG2-CD1 4.25Å; T312-L348 HydrophobicContact CG2-CD1 3.47Å; T312-L348 VanDerWaalsContact CG2-CD1 3.47Å; T312-L348 HydrophobicContact CG2-CD2 4.15Å; T312-L348 HydrophobicContact CG2-CG 3.71Å; R314-L348 HydrophobicContact CB-CD1 4.35Å; V339-L348 WeakPolarHBondContact CA-O 3.48Å; A340-L348 PolarHBondContact N-O 3.04Å; A340-L348 PolarHBondContact O-N 3.42Å; E342-L348 HydrophobicContact CG-CB 4.26Å
349V98.8Very high97.2Very high0 Ų059.7 Ų59.70%035%0.348CS..EExtended strand (participates in β ladder)trans-107.8125.2176.4-176.70000108.2I301 T312 M313 T315 L318 I326 F337 D338 V339I301-V349 HydrophobicContact CD1-CG1 4.45Å; T312-V349 CarbonylContact C-O 3.59Å; T312-V349 WeakPolarHBondContact CA-O 3.39Å; M313-V349 HydrophobicContact CE-CB 3.76Å; M313-V349 HydrophobicContact CE-CG1 3.74Å; M313-V349 HydrophobicContact CE-CG2 4.14Å; M313-V349 HydrophobicContact CG-CB 3.94Å; M313-V349 PolarHBondContact N-O 3.39Å; M313-V349 PolarHBondContact O-N 3.41Å; T315-V349 HydrophobicContact CG2-CG2 4.35Å; L318-V349 HydrophobicContact CD1-CG2 4.06Å; L318-V349 HydrophobicContact CD2-CG2 4.32Å; L318-V349 HydrophobicContact CG-CG2 4.36Å; I326-V349 HydrophobicContact CD1-CG1 4.18Å; F337-V349 HydrophobicContact CD1-CG1 3.91Å; D338-V349 WeakPolarHBondContact O-CA 3.38Å; V339-V349 HydrophobicContact CG1-CG2 4.49Å; V339-V349 HydrophobicContact CG2-CG1 4.37Å; V339-V349 HydrophobicContact CG2-CG2 4.32Å
350S98.8Very high97.1Very high11 Ų1160.5 Ų60.58%0.07735%0.35CS..EExtended strand (participates in β ladder)trans-142.4153.7179.875.10000112.8R310 S311 F337 D338R310-S350 PolarHBondContact NH2-OG 3.01Å; S311-S350 WeakPolarHBondContact O-CA 3.35Å; S311-S350 WeakPolarHBondContact O-CB 3.39Å; F337-S350 CarbonylContact C-O 3.49Å; F337-S350 WeakPolarHBondContact CA-O 3.17Å; D338-S350 PolarHBondContact N-O 3.01Å; D338-S350 PolarHBondContact O-N 3.47Å
351C98.8Very high96.8Very high0 Ų064 Ų640%036%0.36CS..EExtended strand (participates in β ladder)trans-151.4152.9169.6690000110.5M304 R310 S311 V335 K336 F337M304-C351 PolarHBondContact O-SG 2.75Å; M304-C351 VanDerWaalsContact O-SG 3.37Å; R310-C351 WeakPolarHBondContact CA-O 3.27Å; S311-C351 PolarHBondContact N-O 3Å; S311-C351 PolarHBondContact O-N 3.41Å; V335-C351 HydrophobicContact CG1-CB 3.62Å; K336-C351 VanDerWaalsContact O-CB 3.25Å; K336-C351 WeakPolarHBondContact O-CB 3.42Å; F337-C351 HydrophobicContact CD1-CB 3.77Å; F337-C351 HydrophobicContact CD2-CB 4.18Å; F337-C351 HydrophobicContact CE1-CB 3.82Å; F337-C351 VanDerWaalsContact CE1-SG 3.53Å; F337-C351 HydrophobicContact CE2-CB 4.22Å; F337-C351 HydrophobicContact CG-CB 3.95Å; F337-C351 HydrophobicContact CZ-CB 4.04Å; F337-C351 VanDerWaalsContact CZ-SG 3.56Å
352K98.7Very high96.7Very high157 Ų15760 Ų6068%0.68334%0.342SS*.EExtended strand (participates in β ladder)trans-85.3107.6160.4-174.8179.9179.5-1770107.1G309 V335G309-K352 CarbonylContact O-C 3.21Å; G309-K352 WeakPolarHBondContact O-CA 3.46Å; V335-K352 WeakPolarHBondContact CG1-O 3.26Å
353G98.6Very high96.8Very high10 Ų1061 Ų6110%0.10335%0.35CS..  trans-66.9163.7-177.200000112.4M304 A305 A307 G309 G355M304-G353 WeakPolarHBondContact O-CA 3.1Å; A305-G353 WeakPolarHBondContact O-CA 3.49Å; A307-G353 CarbonylContact O-C 3.54Å; A307-G353 VanDerWaalsContact O-C 3.26Å; A307-G353 VanDerWaalsContact O-CA 3.22Å; A307-G353 WeakPolarHBondContact O-CA 3.28Å; G309-G353 PolarHBondContact O-N 3.29Å; G353-G355 PolarHBondContact O-N 3.32Å
354L98.1Very high97Very high81 Ų8156.3 Ų56.342%0.42432%0.317SS..  trans-61.5-27.7-179.6-178.663.2000112.2L31 A305 V335 H356L31-L354 HydrophobicContact CD2-CD2 3.62Å; A305-L354 WeakPolarHBondContact O-CB 3.38Å; A305-L354 PolarHBondContact O-N 3.21Å; V335-L354 HydrophobicContact CG2-CB 4.13Å; L354-H356 HydrophobicContact CD2-CB 4.29Å
355G98.3Very high97.4Very high23 Ų2356.2 Ų56.224%0.23730%0.3CS..  trans65.646.7-170.700000112.2L306 A307 G353 V357L306-G355 PolarHBondContact O-N 2.79Å; A307-G355 WeakPolarHBondContact O-CA 3.45Å; A307-G355 PolarHBondContact O-N 3.15Å; G353-G355 PolarHBondContact O-N 3.32Å; G355-V357 PolarHBondContact O-N 3.44Å
356H98.4Very high97.6Very high38 Ų3856.9 Ų56.918%0.17629%0.291CS..  trans-65.1130.8-179.7-170.184.1000110.5I30 F113 L306 L354I30-H356 PolarHBondContact O-CE1 3.46Å; I30-H356 VanDerWaalsContact O-CE1 3.26Å; I30-H356 PolarHBondContact O-NE2 2.85Å; F113-H356 AromaticContact CD1-CD2 3.59Å; F113-H356 AromaticContact CE1-CD2 3.5Å; F113-H356 AromaticContact CZ-CD2 4Å; L306-H356 HydrophobicContact CD2-CB 3.95Å; L306-H356 PolarHBondContact O-N 2.82Å; L354-H356 HydrophobicContact CD2-CB 4.29Å
357V98Very high97.7Very high80 Ų8058.6 Ų58.649%0.48530%0.3SS..BIsolated β-bridgetrans-110.2131.5-178.5-1790000108.8G355 K359G355-V357 PolarHBondContact O-N 3.44Å; V357-K359 PolarHBondContact O-N 3.14Å
358N98.1Very high97.6Very high10 Ų1060.8 Ų60.85%0.05331%0.312CS..  trans-69.2115172.7-171-11.1000109.7F113 A114 V176 T177 L360 I361F113-N358 WeakPolarHBondContact CA-ND2 3.31Å; F113-N358 HydrophobicContact CD1-CB 3.79Å; F113-N358 PolarHBondContact O-OD1 3.27Å; A114-N358 PolarHBondContact O-ND2 3Å; V176-N358 WeakPolarHBondContact O-CB 3.4Å; V176-N358 PolarHBondContact O-ND2 2.98Å; T177-N358 PolarHBondContact O-N 3Å; N358-L360 WeakPolarHBondContact OD1-CB 3.49Å; N358-L360 PolarHBondContact OD1-N 3.43Å; N358-I361 WeakPolarHBondContact ND2-CD1 3.17Å
359K96Very high97.6Very high193 Ų19362.1 Ų62.184%0.83932%0.318SS*.SBendtrans-90.40.5-179.6-59.2-179.6-177.31770113.4V357V357-K359 PolarHBondContact O-N 3.14Å
360L96.3Very high97.5Very high76 Ų7667.3 Ų67.340%0.39834%0.344SS..  trans-98.6-4.4-176.3-57.7-179.8000113.5T84 I85 F113 G115 N358T84-L360 HydrophobicContact CG2-CD1 4.32Å; T84-L360 HydrophobicContact CG2-CD2 4.11Å; I85-L360 HydrophobicContact CB-CD1 4.07Å; I85-L360 VanDerWaalsContact O-CD1 3.27Å; I85-L360 WeakPolarHBondContact O-CD1 3.28Å; F113-L360 WeakPolarHBondContact O-CD1 3.37Å; G115-L360 VanDerWaalsContact CA-O 3.31Å; G115-L360 WeakPolarHBondContact CA-O 3.48Å; N358-L360 WeakPolarHBondContact OD1-CB 3.49Å; N358-L360 PolarHBondContact OD1-N 3.43Å
361I91.4Very high97.3Very high128 Ų12872.4 Ų72.466%0.65637%0.369SS*.  trans-1020175.6-59.9176.2000110.1P175 T177 N358P175-I361 HydrophobicContact CB-CD1 3.96Å; P175-I361 HydrophobicContact CG-CD1 4.16Å; T177-I361 HydrophobicContact CG2-CD1 4.28Å; T177-I361 HydrophobicContact CG2-CG2 4.29Å; N358-I361 WeakPolarHBondContact ND2-CD1 3.17Å

Retrieved 361 of 361 residues in 79.2 ms (Link to these results)

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