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RNA 3'-terminal phosphate cyclase

Catalyzes the conversion of 3'-phosphate to a 2',3'-cyclic phosphodiester at the end of RNA (By similarity). The mechanism of action of the enzyme occurs in 3 steps: (A) adenylation of the enzyme by ATP; (B) transfer of adenylate to an RNA-N3'P to produce RNA-N3'PP5'A; (C) and attack of the adjacent 2'-hydroxyl on the 3'-phosphorus in the diester linkage to produce the cyclic end product (By similarity). Likely functions in some aspects of cellular RNA processing (By similarity). Function plays an important role in a RNA repair and splicing pathway which controls axon regeneration in response to peripheral (PNS) and central nervous system (CNS) injury1,2. In response to axotomy, negatively regulates splicing of Xbp1 which in turn activates downstream effectors which inhibit axon regeneration, including down-regulating the microtubule regulators ringer and futsch3,4.

AlphaFold DB , UniProt , Accession O77264, 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 190.8 ms (Link to these results)