G4VEA9_SCHMA Loading...

Large ribosomal subunit protein eL21

AlphaFold DB , UniProt , Accession G4VEA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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
1M64.7Low91.6Very high244 Ų244121 Ų121100%1.20264%0.636SS**  0121.80-75.1178-176.900110.3
2T89.4Confident91.9Very high144 Ų144127.8 Ų127.888%0.88365%0.647SS**PPolyproline II helixtrans-84.5140.2173.944.50000110.9
3N90.7Very high92.2Very high110 Ų110132.2 Ų132.259%0.58865%0.652SS**PPolyproline II helixtrans-75.7156177.1-69.9-56.5000113.2R9N3-R9 VanDerWaalsContact CB-NH2 3.29Å; N3-R9 VanDerWaalsContact CG-CZ 3.41Å; N3-R9 PolarHBondContact ND2-NH2 3.37Å; N3-R9 PolarHBondContact OD1-NH2 3.01Å; N3-R9 VanDerWaalsContact OD1-NH2 3.13Å
4T94.6Very high92.5Very high105 Ų105127.4 Ų127.464%0.64463%0.63SS**PPolyproline II helixtrans-64.6147.9174.358.60000112.5R9T4-R9 WeakPolarHBondContact O-CD 3.45Å
5K94.1Very high92.7Very high211 Ų211119.5 Ų119.592%0.91759%0.591SS**  trans-100.722.1-176.8-63.2179.8-177.7172.90113.4
6G95.7Very high92.8Very high41 Ų41116.1 Ų116.142%0.42358%0.582SS.*  trans-63.5144.5-176.600000113.8R8 R9G6-R8 PolarHBondContact O-N 3.43Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.29Å; G6-R9 VanDerWaalsContact O-N 3.1Å
7Y95.4Very high92.9Very high175 Ų175112.1 Ų112.169%0.68656%0.559SS**THydrogen-bonded Turntrans-57.1-34.5-175.1-135.4-92.4000113.6H54Y7-H54 AromaticContact CD1-CD2 3.63Å; Y7-H54 HydrophobicContact CE1-CB 3.83Å; Y7-H54 AromaticContact CE1-CD2 3.63Å; Y7-H54 PolarHBondContact O-CD2 3.32Å
8R95.1Very high93Very high115 Ų115113.7 Ų113.743%0.43456%0.562SS.*THydrogen-bonded Turntrans-109.816.7-179.2-63.6-17376.3175.54.9113.6G6 G10 T11G6-R8 PolarHBondContact O-N 3.43Å; R8-G10 PolarHBondContact O-N 2.98Å; R8-T11 WeakPolarHBondContact O-CB 3.45Å; R8-T11 WeakPolarHBondContact O-CG2 3.38Å; R8-T11 PolarHBondContact O-N 3.36Å; R8-T11 PolarHBondContact O-OG1 3.49Å
9R96Very high93.2Very high100 Ų100116.2 Ų116.238%0.37757%0.569SS.*THydrogen-bonded Turntrans-57.9131177.3178.2-175.6163.3-132-9.5110.6N3 T4 G6 K55N3-R9 VanDerWaalsContact CB-NH2 3.29Å; N3-R9 VanDerWaalsContact CG-CZ 3.41Å; N3-R9 PolarHBondContact ND2-NH2 3.37Å; N3-R9 PolarHBondContact OD1-NH2 3.01Å; N3-R9 VanDerWaalsContact OD1-NH2 3.13Å; T4-R9 WeakPolarHBondContact O-CD 3.45Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.29Å; G6-R9 VanDerWaalsContact O-N 3.1Å; R9-K55 PolarHBondContact O-NZ 3.38Å
10G95.3Very high93.3Very high74 Ų74120.8 Ų120.876%0.76358%0.58SS**THydrogen-bonded Turntrans71.229.3175.300000113.9R8R8-G10 PolarHBondContact O-N 2.98Å
11T96.5Very high93.3Very high12 Ų12120.6 Ų120.67%0.07458%0.578CS.*  trans-109.613.8-178.764.30000114.3R8 Y13 L14 F15 K55R8-T11 WeakPolarHBondContact O-CB 3.45Å; R8-T11 WeakPolarHBondContact O-CG2 3.38Å; R8-T11 PolarHBondContact O-N 3.36Å; R8-T11 PolarHBondContact O-OG1 3.49Å; T11-Y13 PolarHBondContact O-N 3.16Å; T11-L14 HydrophobicContact CG2-CD2 4.18Å; T11-L14 PolarHBondContact O-N 3.07Å; T11-L14 VanDerWaalsContact O-N 3.16Å; T11-F15 VanDerWaalsContact CB-CD2 3.43Å; T11-F15 HydrophobicContact CG2-CD2 3.87Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.44Å; T11-F15 PolarHBondContact O-N 3.41Å; T11-F15 VanDerWaalsContact O-N 3.12Å; T11-K55 HydrophobicContact CG2-CB 3.77Å; T11-K55 HydrophobicContact CG2-CD 3.89Å; T11-K55 HydrophobicContact CG2-CG 4.36Å
12R94.9Very high94.7Very high203 Ų203115.2 Ų115.277%0.76655%0.55SS*.THydrogen-bonded Turntrans-48.2-53-177.8-179.1-176.5-85.5179.4-5.8112.2S16R12-S16 WeakPolarHBondContact O-CB 3.47Å
13Y96.3Very high94.9Very high184 Ų184111 Ų11172%0.72254%0.535SS*.THydrogen-bonded Turntrans-93-18179.1-53-68.1000113.7T11 S16T11-Y13 PolarHBondContact O-N 3.16Å; Y13-S16 WeakPolarHBondContact CA-OG 3.41Å; Y13-S16 PolarHBondContact O-OG 2.95Å
14L95.7Very high95Very high65 Ų65111.7 Ų111.734%0.3455%0.546SS..THydrogen-bonded Turntrans-73.3-39.6-175.6-171.272.2000112T11 K55 H58T11-L14 HydrophobicContact CG2-CD2 4.18Å; T11-L14 PolarHBondContact O-N 3.07Å; T11-L14 VanDerWaalsContact O-N 3.16Å; L14-K55 HydrophobicContact CD2-CB 3.67Å; L14-H58 HydrophobicContact CD1-CB 4.27Å; L14-H58 HydrophobicContact CD2-CB 4.05Å; L14-H58 HydrophobicContact CG-CB 4.3Å; L14-H58 PolarHBondContact O-CE1 3.22Å
15F96Very high94.9Very high9 Ų9108.1 Ų108.14%0.03952%0.522CS..SBendtrans-106.36.7179.6-62.4-39.2000112.8T11 G46 M52 P53 K55 H58T11-F15 VanDerWaalsContact CB-CD2 3.43Å; T11-F15 HydrophobicContact CG2-CD2 3.87Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.44Å; T11-F15 PolarHBondContact O-N 3.41Å; T11-F15 VanDerWaalsContact O-N 3.12Å; F15-G46 WeakPolarHBondContact O-CA 3.44Å; F15-G46 PolarHBondContact O-N 3.5Å; F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.93Å; F15-M52 HydrophobicContact CE2-SD 4Å; F15-M52 HydrophobicContact CG-CE 4.49Å; F15-M52 HydrophobicContact CG-SD 4.16Å; F15-M52 HydrophobicContact CZ-CG 4.45Å; F15-M52 HydrophobicContact CZ-SD 4.3Å; F15-P53 WeakPolarHBondContact CZ-O 3.38Å; F15-K55 HydrophobicContact CZ-CB 4.27Å; F15-H58 AromaticContact CD1-ND1 3.93Å; F15-H58 AromaticContact CE1-ND1 3.69Å
16S95Very high95Very high65 Ų65101.6 Ų101.646%0.45550%0.502SS..PPolyproline II helixtrans-67.4144.3173.8550000110.8R12 Y13R12-S16 WeakPolarHBondContact O-CB 3.47Å; Y13-S16 WeakPolarHBondContact CA-OG 3.41Å; Y13-S16 PolarHBondContact O-OG 2.95Å
17R93.9Very high95Very high49 Ų49103.5 Ų103.519%0.18551%0.508CS..PPolyproline II helixtrans-65.8153.7166.4-62.7-88.5-84.7150.5-0.2108.7H21 H22 G23 D45R17-H21 PolarHBondContact NE-O 2.99Å; R17-H21 PolarHBondContact NH1-O 3.49Å; R17-H21 PolarHBondContact NH2-O 3.03Å; R17-H22 VanDerWaalsContact NH2-C 3.32Å; R17-G23 PolarHBondContact NH2-O 3.03Å; R17-D45 WeakPolarHBondContact CD-OD1 3.5Å; R17-D45 IonicContact NE-OD1 3.98Å; R17-D45 IonicContact NH1-OD2 3.26Å; R17-D45 PolarHBondContact NH1-OD2 3.31Å
18K95.2Very high95Very high140 Ų14098 Ų9861%0.60950%0.495SS*.PPolyproline II helixtrans-72.6154175.4-67.6-177.7173.7-168.90110R20 H21K18-R20 PolarHBondContact O-N 2.98Å; K18-H21 HydrophobicContact CB-CB 4.1Å; K18-H21 PolarHBondContact O-N 3Å
19F96.2Very high95Very high161 Ų16193.5 Ų93.571%0.70648%0.48SS*.THydrogen-bonded Turntrans-52.2134.6174-177.5-115.6000111.3H21F19-H21 PolarHBondContact O-CD2 3.39Å; F19-H21 PolarHBondContact O-N 3.09Å
20R95.3Very high94.9Very high209 Ų20994 Ų9479%0.78948%0.483SS*.THydrogen-bonded Turntrans54.520.1-176.2-63.4178.8-178.5175.71.6115.4K18K18-R20 PolarHBondContact O-N 2.98Å
21H94.1Very high95Very high116 Ų11697 Ų9754%0.53748%0.479SS..  trans-12442.8172.2-65-74.1000110.3R17 K18 F19R17-H21 PolarHBondContact NE-O 2.99Å; R17-H21 PolarHBondContact NH1-O 3.49Å; R17-H21 PolarHBondContact NH2-O 3.03Å; K18-H21 HydrophobicContact CB-CB 4.1Å; K18-H21 PolarHBondContact O-N 3Å; F19-H21 PolarHBondContact O-CD2 3.39Å; F19-H21 PolarHBondContact O-N 3.09Å
22H93.8Very high94.9Very high132 Ų132101 Ų10161%0.61149%0.493SS*.  trans-89.4170.5171.7-65.7-97.7000110.4R17R17-H22 VanDerWaalsContact NH2-C 3.32Å
23G93.2Very high94.9Very high55 Ų5596.8 Ų96.857%0.56749%0.49SS*.SBendtrans92.9-154.7179.300000114.1R17R17-G23 PolarHBondContact NH2-O 3.03Å
24P93.4Very high94.9Very high125 Ų12588.9 Ų88.981%0.81246%0.458SS*.SBendtrans-66.2154.8-176.126.3-32.9000112.6
25L92.9Very high95Very high29 Ų2994.3 Ų94.315%0.15247%0.474CS..PPolyproline II helixtrans-81.1146.6171.4-74.3166.8000110Y30 D45 V48 E94L25-Y30 HydrophobicContact CB-CE2 3.93Å; L25-D45 WeakPolarHBondContact CD2-OD2 3.46Å; L25-V48 HydrophobicContact CD1-CG2 3.89Å; L25-E94 HydrophobicContact CD1-CB 3.83Å; L25-E94 HydrophobicContact CD1-CG 3.76Å
26P95Very high95Very high75 Ų75103.5 Ų103.549%0.48751%0.509SS..PPolyproline II helixtrans-64.2144.6174.926-31.3000110.5S28 V29P26-S28 PolarHBondContact O-N 3.04Å; P26-S28 VanDerWaalsContact O-N 3.07Å; P26-V29 HydrophobicContact CG-CG2 4.02Å; P26-V29 WeakPolarHBondContact O-CB 3.37Å; P26-V29 PolarHBondContact O-N 3.33Å
27S95.1Very high95.1Very high80 Ų80102.4 Ų102.456%0.55951%0.508SS*.Hα-helixtrans-55.3-29.3-179.356.20000113.2V29 Y30 M31S27-V29 PolarHBondContact O-N 3.21Å; S27-V29 VanDerWaalsContact O-N 3.1Å; S27-Y30 PolarHBondContact O-N 2.92Å; S27-M31 PolarHBondContact O-N 2.96Å; S27-M31 VanDerWaalsContact O-N 3.14Å
28S95.2Very high95.2Very high60 Ų60103 Ų10342%0.4251%0.514SS..Hα-helixtrans-61-15.917667.80000114.7P26 R32P26-S28 PolarHBondContact O-N 3.04Å; P26-S28 VanDerWaalsContact O-N 3.07Å; S28-R32 WeakPolarHBondContact O-CD 3.27Å; S28-R32 VanDerWaalsContact O-CG 3.25Å; S28-R32 WeakPolarHBondContact O-CG 3.1Å; S28-R32 PolarHBondContact O-NE 3Å; S28-R32 VanDerWaalsContact O-NE 3.1Å
29V95.5Very high95.3Very high20 Ų2098.1 Ų98.112%0.12150%0.495CS..Hα-helixtrans-76.6-42.9172.8174.40000110.4P26 S27 I93 E94P26-V29 HydrophobicContact CG-CG2 4.02Å; P26-V29 WeakPolarHBondContact O-CB 3.37Å; P26-V29 PolarHBondContact O-N 3.33Å; S27-V29 PolarHBondContact O-N 3.21Å; S27-V29 VanDerWaalsContact O-N 3.1Å; V29-I93 VanDerWaalsContact O-CG2 3.3Å; V29-I93 WeakPolarHBondContact O-CG2 3.44Å; V29-E94 HydrophobicContact CG1-CB 4.43Å; V29-E94 HydrophobicContact CG1-CG 4.42Å
30Y95.2Very high95.4Very high111 Ų11190.5 Ų90.544%0.43546%0.461SS..Hα-helixtrans-75.3-33.8-176.9-58.8-74.8000112.8L25 S27 R32 E94L25-Y30 HydrophobicContact CB-CE2 3.93Å; S27-Y30 PolarHBondContact O-N 2.92Å; Y30-R32 VanDerWaalsContact C-N 3.28Å; Y30-R32 PolarHBondContact O-N 3.23Å; Y30-E94 HydrophobicContact CD1-CG 4.32Å; Y30-E94 HydrophobicContact CE1-CG 3.62Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.45Å
31M95.6Very high95.5Very high138 Ų13882.9 Ų82.968%0.6844%0.436SS*.THydrogen-bonded Turntrans-83.53.4-177.7-61.4-170.2-6600114.1S27 V33S27-M31 PolarHBondContact O-N 2.96Å; S27-M31 VanDerWaalsContact O-N 3.14Å; M31-V33 PolarHBondContact O-N 3.47Å
32R94.7Very high95.6Very high95 Ų9577.4 Ų77.436%0.35841%0.411SS..  trans-69.7124.9178-82.9162-171.3-137.3-9110.8S28 Y30 Y34S28-R32 WeakPolarHBondContact O-CD 3.27Å; S28-R32 VanDerWaalsContact O-CG 3.25Å; S28-R32 WeakPolarHBondContact O-CG 3.1Å; S28-R32 PolarHBondContact O-NE 3Å; S28-R32 VanDerWaalsContact O-NE 3.1Å; Y30-R32 VanDerWaalsContact C-N 3.28Å; Y30-R32 PolarHBondContact O-N 3.23Å; R32-Y34 HydrophobicContact CB-CD2 4.42Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å; R32-Y34 WeakPolarHBondContact O-CD2 3.44Å
33V95.7Very high95.8Very high115 Ų11575.6 Ų75.670%0.69740%0.402SS*.  trans-83.6125.9174.6-176.40000109.3M31 R35M31-V33 PolarHBondContact O-N 3.47Å; V33-R35 HydrophobicContact CG1-CG 4.41Å
34Y96.6Very high95.9Very high17 Ų1773.3 Ų73.37%0.06738%0.377CS..  trans-115.2133.8171.8-65.3-82.7000109.5R32 V40 V72 I93 V96R32-Y34 HydrophobicContact CB-CD2 4.42Å; R32-Y34 HydrophobicContact CB-CE2 3.69Å; R32-Y34 WeakPolarHBondContact O-CD2 3.44Å; Y34-V40 HydrophobicContact CD1-CG1 3.69Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; Y34-V72 HydrophobicContact CD2-CG2 4.07Å; Y34-V72 HydrophobicContact CG-CG2 4.16Å; Y34-I93 HydrophobicContact CE2-CG2 3.84Å; Y34-V96 HydrophobicContact CD1-CG1 4.46Å; Y34-V96 HydrophobicContact CE1-CG1 3.77Å; Y34-V96 PolarHBondContact OH-O 3.48Å
35R96.4Very high95.9Very high179 Ų17968.9 Ų68.968%0.67535%0.347SS*.  trans-114.5158.6177-59.3179-173.4-177.61.6110.1V33 G37 D38 V64V33-R35 HydrophobicContact CG1-CG 4.41Å; R35-G37 PolarHBondContact O-N 3.15Å; R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.37Å; R35-D38 PolarHBondContact O-N 3.21Å; R35-V64 WeakPolarHBondContact O-CB 3.36Å
36R97.3Very high96Very high202 Ų20268.5 Ų68.576%0.76235%0.351SS*.THydrogen-bonded Turntrans-60.2132.4171.9-73.2-173.9-72.4-180-3.2109.5Y65 V67R36-Y65 WeakPolarHBondContact CD-O 3.28Å; R36-V67 HydrophobicContact CG-CG2 4.48Å
37G96.1Very high95.9Very high42 Ų4267.5 Ų67.543%0.43335%0.353SS..THydrogen-bonded Turntrans94-11.9-178.100000115.4R35 V64R35-G37 PolarHBondContact O-N 3.15Å; G37-V64 PolarHBondContact N-O 3.23Å
38D96.8Very high95.9Very high61 Ų6164.8 Ų64.833%0.32633%0.333SS..  trans-63.1145.3177.4-72.3-15.1000111.5R35 R63 V64R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.37Å; R35-D38 PolarHBondContact O-N 3.21Å; D38-R63 WeakPolarHBondContact O-CA 3.27Å; D38-V64 HydrophobicContact CB-CG2 4.25Å; D38-V64 PolarHBondContact O-N 2.79Å
39I97.4Very high95.9Very high39 Ų3969.1 Ų69.120%0.235%0.347CS..EExtended strand (participates in β ladder)trans-93.7123.9175.8-58.7-177.3000108.4T61 G62 R63 S99 R102I39-T61 HydrophobicContact CG2-CG2 3.36Å; I39-G62 WeakPolarHBondContact CA-O 3.5Å; I39-R63 HydrophobicContact CG1-CG 4.13Å; I39-S99 PolarHBondContact O-N 3.5Å; I39-R102 HydrophobicContact CB-CB 4.42Å; I39-R102 HydrophobicContact CD1-CB 4.24Å; I39-R102 HydrophobicContact CD1-CG 4.31Å
40V97.6Very high96Very high0 Ų075.6 Ų75.60%037%0.374CS..EExtended strand (participates in β ladder)trans-131143.2-173.4-63.50000112Y34 T61 G62 V64 I74 V96 K97Y34-V40 HydrophobicContact CD1-CG1 3.69Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; V40-T61 CarbonylContact O-C 3.56Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.27Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; V40-G62 PolarHBondContact N-O 2.72Å; V40-G62 PolarHBondContact O-N 2.93Å; V40-V64 HydrophobicContact CG1-CG2 3.78Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V40-I74 HydrophobicContact CG2-CD1 3.65Å; V40-I74 HydrophobicContact CG2-CG1 3.87Å; V40-I74 HydrophobicContact CG2-CG2 3.91Å; V40-V96 HydrophobicContact CB-CG1 3.51Å; V40-V96 HydrophobicContact CG1-CG1 3.79Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; V40-K97 CarbonylContact C-O 3.55Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CB-O 3.49Å
41D97.6Very high96Very high49 Ų4972 Ų7226%0.26237%0.371SS..EExtended strand (participates in β ladder)trans-98.3134.9174.6-61.3-39.4000109.8T61 K97 S99D41-T61 WeakPolarHBondContact OD1-CB 3.46Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.29Å; D41-T61 PolarHBondContact OD1-OG1 3.34Å; D41-K97 PolarHBondContact N-O 3.39Å; D41-K97 PolarHBondContact O-N 3.1Å; D41-S99 PolarHBondContact OD1-OG 3.24Å; D41-S99 WeakPolarHBondContact OD2-CA 3.33Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 3.25Å
42I97.5Very high96.1Very high1 Ų167.1 Ų67.11%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-98.2119.5-177.7-62.1158000109.2P53 Y57 G59 R60 I74 V76 I89I42-P53 HydrophobicContact CG2-CB 3.74Å; I42-P53 HydrophobicContact CG2-CG 3.59Å; I42-Y57 WeakPolarHBondContact CB-O 3.46Å; I42-Y57 WeakPolarHBondContact CG2-O 3.3Å; I42-G59 PolarHBondContact O-N 3.36Å; I42-R60 WeakPolarHBondContact CB-O 3.45Å; I42-R60 PolarHBondContact N-O 3.31Å; I42-I74 HydrophobicContact CD1-CD1 4.19Å; I42-I74 HydrophobicContact CD1-CG2 4.34Å; I42-I74 HydrophobicContact CG1-CD1 3.88Å; I42-V76 HydrophobicContact CD1-CG2 3.39Å; I42-I89 HydrophobicContact CD1-CD1 3.68Å
43K96.6Very high96.2Very high95 Ų9562.9 Ų62.941%0.41333%0.331SS..  trans-138.2101.6174.4-177.4162.6-174.4150.70109.5D45 H95K43-D45 PolarHBondContact O-N 2.93Å; K43-H95 CarbonylContact C-O 3.55Å; K43-H95 PolarHBondContact N-O 2.79Å; K43-H95 CarbonylContact O-C 3.5Å; K43-H95 VanDerWaalsContact O-CA 3.25Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å
44G95.2Very high96.2Very high6 Ų659.6 Ų59.66%0.06231%0.308CS..  trans-59.9133.3175.500000111.5H58G44-H58 PolarHBondContact N-ND1 3.44Å
45D94.8Very high96.2Very high32 Ų3262.1 Ų62.117%0.17132%0.32CS..  trans-110.2122.6175.7-171.2-48.7000108.1R17 L25 K43 G47 V48 M52 H95R17-D45 WeakPolarHBondContact CD-OD1 3.5Å; R17-D45 IonicContact NE-OD1 3.98Å; R17-D45 IonicContact NH1-OD2 3.26Å; R17-D45 PolarHBondContact NH1-OD2 3.31Å; L25-D45 WeakPolarHBondContact CD2-OD2 3.46Å; K43-D45 PolarHBondContact O-N 2.93Å; D45-G47 PolarHBondContact O-N 3.41Å; D45-G47 PolarHBondContact OD1-N 2.91Å; D45-V48 PolarHBondContact O-N 3.48Å; D45-V48 VanDerWaalsContact O-O 3.06Å; D45-M52 WeakPolarHBondContact O-CE 3.15Å; D45-H95 PolarHBondContact N-ND1 2.95Å; D45-H95 PolarHBondContact O-CE1 2.92Å
46G94.2Very high96.2Very high22 Ų2255.3 Ų55.323%0.22730%0.299CS..THydrogen-bonded Turntrans-63.5-19-178.800000115.5F15 V48F15-G46 WeakPolarHBondContact O-CA 3.44Å; F15-G46 PolarHBondContact O-N 3.5Å; G46-V48 VanDerWaalsContact C-N 3.28Å; G46-V48 PolarHBondContact O-N 2.97Å
47G93.3Very high96.2Very high53 Ų5347 Ų4755%0.54627%0.268SS..THydrogen-bonded Turntrans-70.7-22.6178.600000113.6D45D45-G47 PolarHBondContact O-N 3.41Å; D45-G47 PolarHBondContact OD1-N 2.91Å
48V95.2Very high96.3Very high23 Ų2346.9 Ų46.914%0.13926%0.256CS..  trans-119.3116.2176.1179.90000108.9L25 D45 G46 M52 E94 H95L25-V48 HydrophobicContact CD1-CG2 3.89Å; D45-V48 PolarHBondContact O-N 3.48Å; D45-V48 VanDerWaalsContact O-O 3.06Å; G46-V48 VanDerWaalsContact C-N 3.28Å; G46-V48 PolarHBondContact O-N 2.97Å; V48-M52 VanDerWaalsContact O-CE 3.32Å; V48-M52 WeakPolarHBondContact O-CE 3.37Å; V48-E94 HydrophobicContact CB-CB 4.33Å; V48-E94 HydrophobicContact CG2-CB 4.15Å; V48-E94 HydrophobicContact CG2-CG 3.99Å; V48-H95 PolarHBondContact O-CE1 2.76Å; V48-H95 PolarHBondContact O-NE2 2.89Å
49Q95.1Very high96.2Very high152 Ų15246.8 Ų46.871%0.7127%0.269SS*.  trans-89.8-30-175.4-58177.416.800112.6M52Q49-M52 WeakPolarHBondContact O-CB 3.41Å
50K96.9Very high96.2Very high156 Ų15651.8 Ų51.868%0.67829%0.286SS*.THydrogen-bonded Turntrans-69.6140.5-179.5-67.6-173.6177.7-178.10110.3M52 R92 H95K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å; K50-R92 VanDerWaalsContact O-CD 3.25Å; K50-R92 WeakPolarHBondContact O-CD 3.42Å; K50-H95 PolarHBondContact O-NE2 3.03Å
51G96.2Very high96.2Very high36 Ų3655 Ų5537%0.37131%0.306SS..THydrogen-bonded Turntrans61.419.5177.400000114.7R92 H95G51-R92 PolarHBondContact O-N 3.24Å; G51-H95 PolarHBondContact O-CD2 2.95Å
52M96.3Very high96.2Very high34 Ų3453.2 Ų53.217%0.16730%0.298CS..PPolyproline II helixtrans-67133179.4-178.2172.8-85.500110.9F15 D45 V48 Q49 K50F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.93Å; F15-M52 HydrophobicContact CE2-SD 4Å; F15-M52 HydrophobicContact CG-CE 4.49Å; F15-M52 HydrophobicContact CG-SD 4.16Å; F15-M52 HydrophobicContact CZ-CG 4.45Å; F15-M52 HydrophobicContact CZ-SD 4.3Å; D45-M52 WeakPolarHBondContact O-CE 3.15Å; V48-M52 VanDerWaalsContact O-CE 3.32Å; V48-M52 WeakPolarHBondContact O-CE 3.37Å; Q49-M52 WeakPolarHBondContact O-CB 3.41Å; K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å
53P97.4Very high96.2Very high7 Ų760 Ų605%0.04532%0.324CS..PPolyproline II helixtrans-70147.2176.929.5-35.6000111.1F15 I42 V91 H95F15-P53 WeakPolarHBondContact CZ-O 3.38Å; I42-P53 HydrophobicContact CG2-CB 3.74Å; I42-P53 HydrophobicContact CG2-CG 3.59Å; P53-V91 HydrophobicContact CB-CG1 4.47Å; P53-V91 HydrophobicContact CB-CG2 4.24Å; P53-V91 HydrophobicContact CG-CG1 4.4Å; P53-H95 HydrophobicContact CG-CB 4.33Å
54H96.9Very high96.3Very high46 Ų4655.7 Ų55.721%0.21331%0.306CS..PPolyproline II helixtrans-60.3147.3168.2-179.9-105.5000110.7Y7 S56 Y57Y7-H54 AromaticContact CD1-CD2 3.63Å; Y7-H54 HydrophobicContact CE1-CB 3.83Å; Y7-H54 AromaticContact CE1-CD2 3.63Å; Y7-H54 PolarHBondContact O-CD2 3.32Å; H54-S56 WeakPolarHBondContact ND1-CB 3.41Å; H54-S56 PolarHBondContact ND1-N 3.36Å; H54-S56 PolarHBondContact ND1-OG 2.88Å; H54-S56 PolarHBondContact O-N 3.13Å; H54-Y57 HydrophobicContact CB-CD2 3.96Å; H54-Y57 HydrophobicContact CB-CE2 4.16Å; H54-Y57 PolarHBondContact O-N 3.5Å
55K96.6Very high96.4Very high70 Ų7058.8 Ų58.830%0.30432%0.316SS..G310 helixtrans-51.7-29-177.262.2176.2176179.50114.6R9 T11 L14 F15 Y57 H58R9-K55 PolarHBondContact O-NZ 3.38Å; T11-K55 HydrophobicContact CG2-CB 3.77Å; T11-K55 HydrophobicContact CG2-CD 3.89Å; T11-K55 HydrophobicContact CG2-CG 4.36Å; L14-K55 HydrophobicContact CD2-CB 3.67Å; F15-K55 HydrophobicContact CZ-CB 4.27Å; K55-Y57 PolarHBondContact O-N 3.24Å; K55-H58 PolarHBondContact O-N 3.41Å
56S96.2Very high96.6Very high36 Ų3660.5 Ų60.525%0.25233%0.325SS..G310 helixtrans-63-22.5177.560.80000114H54H54-S56 WeakPolarHBondContact ND1-CB 3.41Å; H54-S56 PolarHBondContact ND1-N 3.36Å; H54-S56 PolarHBondContact ND1-OG 2.88Å; H54-S56 PolarHBondContact O-N 3.13Å
57Y97.3Very high96.7Very high28 Ų2862.6 Ų62.611%0.1133%0.333CS..G310 helixtrans-99.9-5.3-179-54.2-65.4000112.7I42 H54 K55 G59 R60 V76 K78 K87 I89I42-Y57 WeakPolarHBondContact CB-O 3.46Å; I42-Y57 WeakPolarHBondContact CG2-O 3.3Å; H54-Y57 HydrophobicContact CB-CD2 3.96Å; H54-Y57 HydrophobicContact CB-CE2 4.16Å; H54-Y57 PolarHBondContact O-N 3.5Å; K55-Y57 PolarHBondContact O-N 3.24Å; Y57-G59 PolarHBondContact O-N 3.32Å; Y57-R60 WeakPolarHBondContact O-CB 3.39Å; Y57-R60 PolarHBondContact O-N 3.13Å; Y57-R60 VanDerWaalsContact O-N 3.1Å; Y57-V76 HydrophobicContact CD1-CB 4.2Å; Y57-V76 HydrophobicContact CD1-CG1 3.94Å; Y57-V76 HydrophobicContact CE1-CB 4.46Å; Y57-V76 HydrophobicContact CE1-CG1 4.48Å; Y57-K78 HydrophobicContact CE1-CB 4.22Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; Y57-K87 HydrophobicContact CE1-CB 4.38Å; Y57-I89 HydrophobicContact CD1-CD1 4.34Å; Y57-I89 HydrophobicContact CD2-CD1 4.21Å; Y57-I89 HydrophobicContact CD2-CG2 4.22Å; Y57-I89 HydrophobicContact CE1-CG2 4.32Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 4Å
58H96.6Very high96.9Very high39 Ų3962.8 Ų62.818%0.18132%0.324CS..THydrogen-bonded Turntrans-63.8130.4174.8-167.2105.4000109.9L14 F15 G44 K55 R60L14-H58 HydrophobicContact CD1-CB 4.27Å; L14-H58 HydrophobicContact CD2-CB 4.05Å; L14-H58 HydrophobicContact CG-CB 4.3Å; L14-H58 PolarHBondContact O-CE1 3.22Å; F15-H58 AromaticContact CD1-ND1 3.93Å; F15-H58 AromaticContact CE1-ND1 3.69Å; G44-H58 PolarHBondContact N-ND1 3.44Å; K55-H58 PolarHBondContact O-N 3.41Å; H58-R60 PolarHBondContact O-N 3.27Å
59G96.3Very high96.9Very high58 Ų5867.3 Ų67.360%0.59835%0.354SS*.THydrogen-bonded Turntrans7310.9-176.300000114.2I42 Y57I42-G59 PolarHBondContact O-N 3.36Å; Y57-G59 PolarHBondContact O-N 3.32Å
60R97Very high96.9Very high144 Ų14466.1 Ų66.154%0.54335%0.348SS..  trans-92.5146.1173.9-58.5-59.6-178.3179.6-4.9110.5I42 Y57 H58 V76I42-R60 WeakPolarHBondContact CB-O 3.45Å; I42-R60 PolarHBondContact N-O 3.31Å; Y57-R60 WeakPolarHBondContact O-CB 3.39Å; Y57-R60 PolarHBondContact O-N 3.13Å; Y57-R60 VanDerWaalsContact O-N 3.1Å; H58-R60 PolarHBondContact O-N 3.27Å; R60-V76 HydrophobicContact CB-CG1 3.67Å; R60-V76 HydrophobicContact CG-CG1 4.31Å
61T98.1Very high96.9Very high69 Ų6959.6 Ų59.642%0.42332%0.323SS..EExtended strand (participates in β ladder)trans-102142.5173.9-49.50000109.2I39 V40 D41I39-T61 HydrophobicContact CG2-CG2 3.36Å; V40-T61 CarbonylContact O-C 3.56Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.27Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; D41-T61 WeakPolarHBondContact OD1-CB 3.46Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.29Å; D41-T61 PolarHBondContact OD1-OG1 3.34Å
62G97.1Very high97Very high10 Ų1058 Ų5810%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-147.5179.8178.500000112.6I39 V40 I75I39-G62 WeakPolarHBondContact CA-O 3.5Å; V40-G62 PolarHBondContact N-O 2.72Å; V40-G62 PolarHBondContact O-N 2.93Å; G62-I75 WeakPolarHBondContact CA-O 3.45Å
63R97.7Very high97.1Very high144 Ų14456.4 Ų56.454%0.54330%0.299SS..EExtended strand (participates in β ladder)trans-110.2137.9175.5-94.9-179.6166.5165.2-2.7111.2D38 I39 Y65 I74 I75D38-R63 WeakPolarHBondContact O-CA 3.27Å; I39-R63 HydrophobicContact CG1-CG 4.13Å; R63-Y65 PolarHBondContact O-N 2.8Å; R63-I74 CarbonylContact O-C 3.6Å; R63-I74 WeakPolarHBondContact O-CA 3.41Å; R63-I75 PolarHBondContact N-O 3.13Å; R63-I75 PolarHBondContact O-N 2.89Å
64V98.1Very high97.1Very high5 Ų556.1 Ų56.13%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-71.2123.1175.7178.30000110.2R35 G37 D38 V40 V67 V72 G73R35-V64 WeakPolarHBondContact O-CB 3.36Å; G37-V64 PolarHBondContact N-O 3.23Å; D38-V64 HydrophobicContact CB-CG2 4.25Å; D38-V64 PolarHBondContact O-N 2.79Å; V40-V64 HydrophobicContact CG1-CG2 3.78Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V64-V67 HydrophobicContact CG1-CG2 3.8Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.38Å; V64-V72 HydrophobicContact CG2-CG1 3.5Å; V64-V72 VanDerWaalsContact CG2-CG1 3.5Å; V64-G73 CarbonylContact C-O 3.45Å; V64-G73 WeakPolarHBondContact CA-O 3.34Å
65Y97.8Very high97.2Very high70 Ų7056.5 Ų56.528%0.27530%0.3SS..EExtended strand (participates in β ladder)trans-106.6-30.9174.881.4-87.6000112.8R36 R63 G73 I75 R88 N90R36-Y65 WeakPolarHBondContact CD-O 3.28Å; R63-Y65 PolarHBondContact O-N 2.8Å; Y65-G73 WeakPolarHBondContact CD1-O 3.41Å; Y65-G73 PolarHBondContact N-O 3.03Å; Y65-I75 HydrophobicContact CD1-CG1 3.83Å; Y65-I75 HydrophobicContact CG-CD1 4.29Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; Y65-R88 HydrophobicContact CD1-CG 4.41Å; Y65-R88 HydrophobicContact CE1-CB 3.97Å; Y65-R88 HydrophobicContact CE1-CG 4.13Å; Y65-N90 PolarHBondContact OH-OD1 3.39Å
66N97.8Very high97.2Very high69 Ų6953.2 Ų53.237%0.36929%0.285SS..EExtended strand (participates in β ladder)trans-137.7149.5-179.2-170.425.2000110.5G73N66-G73 PolarHBondContact N-O 2.97Å; N66-G73 PolarHBondContact O-N 2.87Å
67V97.2Very high97.3Very high65 Ų6556.6 Ų56.639%0.39430%0.301SS..EExtended strand (participates in β ladder)trans-128.7130.2176.7-1770000107.6R36 V64R36-V67 HydrophobicContact CG-CG2 4.48Å; V64-V67 HydrophobicContact CG1-CG2 3.8Å
68T96.6Very high97.3Very high58 Ų5858.5 Ų58.536%0.35631%0.31SS..  trans-125.8170.3-179.967.20000109.1H70 A71T68-H70 PolarHBondContact O-N 3.44Å; T68-H70 VanDerWaalsContact O-N 3.07Å; T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 VanDerWaalsContact OG1-C 3.25Å; T68-A71 WeakPolarHBondContact OG1-CA 3.35Å; T68-A71 WeakPolarHBondContact OG1-CB 3.42Å; T68-A71 PolarHBondContact OG1-N 2.81Å; T68-A71 PolarHBondContact OG1-O 2.83Å
69P96.2Very high97.3Very high117 Ų11766 Ų6676%0.7634%0.336SS*.SBendtrans-54.1-33.8-173.5-30.136.7000115.5
70H95.5Very high97.3Very high128 Ų12866.2 Ų66.259%0.59333%0.326SS*.SBendtrans-129-2.6-176.7-54.9-48.2000114.2T68 I93T68-H70 PolarHBondContact O-N 3.44Å; T68-H70 VanDerWaalsContact O-N 3.07Å; H70-I93 WeakPolarHBondContact O-CG1 3.44Å; H70-I93 PolarHBondContact O-N 2.96Å
71A97Very high97.3Very high19 Ų1962.3 Ų62.316%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-142.6161.3-172.800000112.3T68 V91 R92T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 VanDerWaalsContact OG1-C 3.25Å; T68-A71 WeakPolarHBondContact OG1-CA 3.35Å; T68-A71 WeakPolarHBondContact OG1-CB 3.42Å; T68-A71 PolarHBondContact OG1-N 2.81Å; T68-A71 PolarHBondContact OG1-O 2.83Å; A71-V91 CarbonylContact C-O 3.48Å; A71-V91 WeakPolarHBondContact CA-O 3.42Å; A71-V91 WeakPolarHBondContact CB-O 3.15Å; A71-R92 HydrophobicContact CB-CG 4.31Å
72V97.6Very high97.2Very high2 Ų266.3 Ų66.31%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-122.9130.4-178.6-170.50000108.4Y34 V64 I74 V91 I93Y34-V72 HydrophobicContact CD2-CG2 4.07Å; Y34-V72 HydrophobicContact CG-CG2 4.16Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.38Å; V64-V72 HydrophobicContact CG2-CG1 3.5Å; V64-V72 VanDerWaalsContact CG2-CG1 3.5Å; V72-I74 HydrophobicContact CB-CG1 4.49Å; V72-I74 HydrophobicContact CG1-CG1 4.16Å; V72-V91 PolarHBondContact N-O 2.92Å; V72-V91 PolarHBondContact O-N 3.27Å; V72-I93 HydrophobicContact CG2-CG1 4.1Å
73G98.1Very high97.2Very high1 Ų173.3 Ų73.31%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-82.9120.2169.900000109.6V64 Y65 N66 I89V64-G73 CarbonylContact C-O 3.45Å; V64-G73 WeakPolarHBondContact CA-O 3.34Å; Y65-G73 WeakPolarHBondContact CD1-O 3.41Å; Y65-G73 PolarHBondContact N-O 3.03Å; N66-G73 PolarHBondContact N-O 2.97Å; N66-G73 PolarHBondContact O-N 2.87Å; G73-I89 CarbonylContact C-O 3.49Å; G73-I89 WeakPolarHBondContact CA-O 3.2Å
74I98.3Very high97.2Very high0 Ų072.2 Ų72.20%038%0.376CS..EExtended strand (participates in β ladder)trans-118.8132.8-176.5-51.5168000109.6V40 I42 R63 V72 V76 I89 V91 V96V40-I74 HydrophobicContact CG2-CD1 3.65Å; V40-I74 HydrophobicContact CG2-CG1 3.87Å; V40-I74 HydrophobicContact CG2-CG2 3.91Å; I42-I74 HydrophobicContact CD1-CD1 4.19Å; I42-I74 HydrophobicContact CD1-CG2 4.34Å; I42-I74 HydrophobicContact CG1-CD1 3.88Å; R63-I74 CarbonylContact O-C 3.6Å; R63-I74 WeakPolarHBondContact O-CA 3.41Å; V72-I74 HydrophobicContact CB-CG1 4.49Å; V72-I74 HydrophobicContact CG1-CG1 4.16Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.65Å; I74-I89 HydrophobicContact CB-CG1 4.14Å; I74-I89 PolarHBondContact N-O 2.91Å; I74-I89 WeakPolarHBondContact O-CG1 3.49Å; I74-I89 PolarHBondContact O-N 3.29Å; I74-V91 HydrophobicContact CD1-CB 4.18Å; I74-V91 HydrophobicContact CD1-CG2 4.32Å; I74-V96 HydrophobicContact CD1-CG1 4.17Å; I74-V96 HydrophobicContact CD1-CG2 3.73Å
75I97.9Very high97.2Very high54 Ų5473 Ų7328%0.27738%0.381SS..EExtended strand (participates in β ladder)trans-88.4116.8166-62.3168.4000107.7G62 R63 Y65 P86 K87 R88G62-I75 WeakPolarHBondContact CA-O 3.45Å; R63-I75 PolarHBondContact N-O 3.13Å; R63-I75 PolarHBondContact O-N 2.89Å; Y65-I75 HydrophobicContact CD1-CG1 3.83Å; Y65-I75 HydrophobicContact CG-CD1 4.29Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; I75-P86 HydrophobicContact CG2-CB 3.92Å; I75-K87 WeakPolarHBondContact CA-O 3.25Å; I75-R88 HydrophobicContact CG1-CG 4.02Å
76V97.7Very high97.1Very high1 Ų173.8 Ų73.81%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-122134.3179.6-1730000109.7I42 Y57 R60 I74 K78 K87 I89I42-V76 HydrophobicContact CD1-CG2 3.39Å; Y57-V76 HydrophobicContact CD1-CB 4.2Å; Y57-V76 HydrophobicContact CD1-CG1 3.94Å; Y57-V76 HydrophobicContact CE1-CB 4.46Å; Y57-V76 HydrophobicContact CE1-CG1 4.48Å; R60-V76 HydrophobicContact CB-CG1 3.67Å; R60-V76 HydrophobicContact CG-CG1 4.31Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.65Å; V76-K78 PolarHBondContact O-N 3.23Å; V76-K87 PolarHBondContact N-O 2.84Å; V76-K87 PolarHBondContact O-N 3.45Å; V76-I89 HydrophobicContact CG2-CD1 3.66Å; V76-I89 HydrophobicContact CG2-CG1 4.02Å
77N97.1Very high97.1Very high107 Ų10774.2 Ų74.257%0.57239%0.393SS*.EExtended strand (participates in β ladder)trans-79.3119.5175.5-70.9-18.5000110.3I84N77-I84 HydrophobicContact CB-CG2 3.72Å
78K97.2Very high97.2Very high69 Ų6980 Ų8030%0.341%0.407SS..EExtended strand (participates in β ladder)trans-116.9126.8176.2-178.6176.6176.7179.80110Y57 V76 V80 I85 K87Y57-K78 HydrophobicContact CE1-CB 4.22Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; V76-K78 PolarHBondContact O-N 3.23Å; K78-V80 HydrophobicContact CD-CG2 4.41Å; K78-V80 HydrophobicContact CG-CG2 4.2Å; K78-I85 PolarHBondContact N-O 2.96Å; K78-I85 PolarHBondContact O-N 2.81Å; K78-K87 HydrophobicContact CB-CG 4.05Å
79R96.9Very high97.2Very high195 Ų19578.3 Ų78.374%0.73640%0.396SS*.EExtended strand (participates in β ladder)trans-72.5128168.9-172.3175.6179.5170.21.7109.9G81 R83R79-G81 PolarHBondContact NE-O 2.9Å; R79-R83 WeakPolarHBondContact CA-O 3.38Å
80V96.7Very high97.3Very high63 Ų6378.1 Ų78.138%0.38239%0.388SS..EExtended strand (participates in β ladder)trans-130.6101.7175.4-177.10000107.1K78 N82 R83 I85K78-V80 HydrophobicContact CD-CG2 4.41Å; K78-V80 HydrophobicContact CG-CG2 4.2Å; V80-N82 PolarHBondContact O-N 2.85Å; V80-R83 PolarHBondContact N-O 3.26Å; V80-R83 PolarHBondContact O-N 3.06Å; V80-I85 HydrophobicContact CB-CD1 3.91Å; V80-I85 HydrophobicContact CG1-CD1 4.49Å; V80-I85 HydrophobicContact CG2-CD1 3.88Å; V80-I85 HydrophobicContact CG2-CG1 4.43Å
81G95.9Very high97.4Very high63 Ų6372 Ų7265%0.64936%0.36SS*.THydrogen-bonded Turntrans61.3-118.9-172.400000111.9R79R79-G81 PolarHBondContact NE-O 2.9Å
82N96.9Very high97.4Very high153 Ų15374.3 Ų74.382%0.81837%0.365SS*.THydrogen-bonded Turntrans-84.5-11.9-177.962.8-16.4000114.6V80V80-N82 PolarHBondContact O-N 2.85Å
83R97.4Very high97.3Very high157 Ų15775.4 Ų75.459%0.59237%0.37SS*.EExtended strand (participates in β ladder)trans-121.1155.5-173.463.4178.6-178.6135.7-4.8114.2R79 V80 I85R79-R83 WeakPolarHBondContact CA-O 3.38Å; V80-R83 PolarHBondContact N-O 3.26Å; V80-R83 PolarHBondContact O-N 3.06Å; R83-I85 HydrophobicContact CG-CD1 4.34Å; R83-I85 HydrophobicContact CG-CG1 4.08Å
84I97.5Very high97.3Very high120 Ų12076 Ų7662%0.61537%0.373SS*.EExtended strand (participates in β ladder)trans-101.4120.4172.9-60.3175000108.2N77N77-I84 HydrophobicContact CB-CG2 3.72Å
85I97Very high97.2Very high23 Ų2376 Ų7612%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-110.7127.7-178.1-53.3176.4000108.8K78 V80 R83 K87K78-I85 PolarHBondContact N-O 2.96Å; K78-I85 PolarHBondContact O-N 2.81Å; V80-I85 HydrophobicContact CB-CD1 3.91Å; V80-I85 HydrophobicContact CG1-CD1 4.49Å; V80-I85 HydrophobicContact CG2-CD1 3.88Å; V80-I85 HydrophobicContact CG2-CG1 4.43Å; R83-I85 HydrophobicContact CG-CD1 4.34Å; R83-I85 HydrophobicContact CG-CG1 4.08Å; I85-K87 HydrophobicContact CG2-CD 4.06Å; I85-K87 PolarHBondContact O-N 2.87Å
86P97.4Very high97.1Very high85 Ų8573.5 Ų73.555%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-69.9116.216928.9-32.2000108.9I75I75-P86 HydrophobicContact CG2-CB 3.92Å
87K98.1Very high97.1Very high79 Ų7978.3 Ų78.334%0.34338%0.381SS..EExtended strand (participates in β ladder)trans-106.1128.5178.3-67.1-63.4-173.51800109.5Y57 I75 V76 K78 I85Y57-K87 HydrophobicContact CE1-CB 4.38Å; I75-K87 WeakPolarHBondContact CA-O 3.25Å; V76-K87 PolarHBondContact N-O 2.84Å; V76-K87 PolarHBondContact O-N 3.45Å; K78-K87 HydrophobicContact CB-CG 4.05Å; I85-K87 HydrophobicContact CG2-CD 4.06Å; I85-K87 PolarHBondContact O-N 2.87Å
88R97.9Very high97Very high186 Ų18676.4 Ų76.470%0.70238%0.375SS*.EExtended strand (participates in β ladder)trans-85.5122170.3-67.2177.5-176.5179.61.3108.3Y65 I75Y65-R88 HydrophobicContact CD1-CG 4.41Å; Y65-R88 HydrophobicContact CE1-CB 3.97Å; Y65-R88 HydrophobicContact CE1-CG 4.13Å; I75-R88 HydrophobicContact CG1-CG 4.02Å
89I97.1Very high96.9Very high22 Ų2273.9 Ų73.911%0.11337%0.365CS..EExtended strand (participates in β ladder)trans-125.8147.3176.359.1171.5000109.5I42 Y57 G73 I74 V76 V91I42-I89 HydrophobicContact CD1-CD1 3.68Å; Y57-I89 HydrophobicContact CD1-CD1 4.34Å; Y57-I89 HydrophobicContact CD2-CD1 4.21Å; Y57-I89 HydrophobicContact CD2-CG2 4.22Å; Y57-I89 HydrophobicContact CE1-CG2 4.32Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 4Å; G73-I89 CarbonylContact C-O 3.49Å; G73-I89 WeakPolarHBondContact CA-O 3.2Å; I74-I89 HydrophobicContact CB-CG1 4.14Å; I74-I89 PolarHBondContact N-O 2.91Å; I74-I89 WeakPolarHBondContact O-CG1 3.49Å; I74-I89 PolarHBondContact O-N 3.29Å; V76-I89 HydrophobicContact CG2-CD1 3.66Å; V76-I89 HydrophobicContact CG2-CG1 4.02Å; I89-V91 HydrophobicContact CB-CG2 4.32Å; I89-V91 HydrophobicContact CD1-CG2 3.58Å; I89-V91 HydrophobicContact CG1-CG2 3.86Å
90N97.6Very high96.9Very high113 Ų11372.5 Ų72.560%0.60437%0.365SS*.EExtended strand (participates in β ladder)trans-106.1119.3174.4-60.8-27.3000107.5Y65Y65-N90 PolarHBondContact OH-OD1 3.39Å
91V97.4Very high96.7Very high1 Ų173.3 Ų73.31%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-129.8134.4-172.8-176.40000108.9P53 A71 V72 I74 I89 H95 V96P53-V91 HydrophobicContact CB-CG1 4.47Å; P53-V91 HydrophobicContact CB-CG2 4.24Å; P53-V91 HydrophobicContact CG-CG1 4.4Å; A71-V91 CarbonylContact C-O 3.48Å; A71-V91 WeakPolarHBondContact CA-O 3.42Å; A71-V91 WeakPolarHBondContact CB-O 3.15Å; V72-V91 PolarHBondContact N-O 2.92Å; V72-V91 PolarHBondContact O-N 3.27Å; I74-V91 HydrophobicContact CD1-CB 4.18Å; I74-V91 HydrophobicContact CD1-CG2 4.32Å; I89-V91 HydrophobicContact CB-CG2 4.32Å; I89-V91 HydrophobicContact CD1-CG2 3.58Å; I89-V91 HydrophobicContact CG1-CG2 3.86Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.7Å
92R97.4Very high96.6Very high66 Ų6675 Ų7525%0.24936%0.359CS..EExtended strand (participates in β ladder)trans-67.1151.2176.2-97.2-167.384.5147.95.2112.3K50 G51 A71 E94 H95 V96K50-R92 VanDerWaalsContact O-CD 3.25Å; K50-R92 WeakPolarHBondContact O-CD 3.42Å; G51-R92 PolarHBondContact O-N 3.24Å; A71-R92 HydrophobicContact CB-CG 4.31Å; R92-E94 WeakPolarHBondContact CB-OE2 3.3Å; R92-E94 IonicContact CZ-OE1 3.86Å; R92-E94 VanDerWaalsContact CZ-OE1 3.22Å; R92-E94 IonicContact CZ-OE2 3.05Å; R92-E94 IonicContact NE-OE1 3.19Å; R92-E94 PolarHBondContact NE-OE1 3.2Å; R92-E94 IonicContact NE-OE2 2.74Å; R92-E94 PolarHBondContact NE-OE2 3.07Å; R92-E94 IonicContact NH2-OE1 3.87Å; R92-E94 PolarHBondContact NH2-OE1 3.26Å; R92-E94 IonicContact NH2-OE2 3.22Å; R92-E94 PolarHBondContact O-N 3.36Å; R92-E94 VanDerWaalsContact O-N 3.15Å; R92-H95 PolarHBondContact O-N 2.69Å; R92-V96 WeakPolarHBondContact O-CG2 3.44Å
93I96.6Very high96.5Very high26 Ų2674 Ų7413%0.13335%0.35CS..G310 helixtrans-57.1-33-173.8-67.7162.1000112.3V29 Y34 H70 V72 H95 V96V29-I93 VanDerWaalsContact O-CG2 3.3Å; V29-I93 WeakPolarHBondContact O-CG2 3.44Å; Y34-I93 HydrophobicContact CE2-CG2 3.84Å; H70-I93 WeakPolarHBondContact O-CG1 3.44Å; H70-I93 PolarHBondContact O-N 2.96Å; V72-I93 HydrophobicContact CG2-CG1 4.1Å; I93-H95 PolarHBondContact O-N 3.1Å; I93-H95 VanDerWaalsContact O-N 3.12Å; I93-V96 PolarHBondContact O-N 2.89Å; I93-V96 VanDerWaalsContact O-N 3.1Å
94E96.7Very high96.4Very high12 Ų1270.1 Ų70.16%0.05634%0.34CS..G310 helixtrans-62.2-21.1-179.8-59.296.7140.900113.6L25 V29 Y30 V48 R92L25-E94 HydrophobicContact CD1-CB 3.83Å; L25-E94 HydrophobicContact CD1-CG 3.76Å; V29-E94 HydrophobicContact CG1-CB 4.43Å; V29-E94 HydrophobicContact CG1-CG 4.42Å; Y30-E94 HydrophobicContact CD1-CG 4.32Å; Y30-E94 HydrophobicContact CE1-CG 3.62Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.45Å; V48-E94 HydrophobicContact CB-CB 4.33Å; V48-E94 HydrophobicContact CG2-CB 4.15Å; V48-E94 HydrophobicContact CG2-CG 3.99Å; R92-E94 WeakPolarHBondContact CB-OE2 3.3Å; R92-E94 IonicContact CZ-OE1 3.86Å; R92-E94 VanDerWaalsContact CZ-OE1 3.22Å; R92-E94 IonicContact CZ-OE2 3.05Å; R92-E94 IonicContact NE-OE1 3.19Å; R92-E94 PolarHBondContact NE-OE1 3.2Å; R92-E94 IonicContact NE-OE2 2.74Å; R92-E94 PolarHBondContact NE-OE2 3.07Å; R92-E94 IonicContact NH2-OE1 3.87Å; R92-E94 PolarHBondContact NH2-OE1 3.26Å; R92-E94 IonicContact NH2-OE2 3.22Å; R92-E94 PolarHBondContact O-N 3.36Å; R92-E94 VanDerWaalsContact O-N 3.15Å
95H97.1Very high96.3Very high0 Ų068.3 Ų68.30%033%0.328CS..G310 helixtrans-103.86.2-178.9-52.5-42.8000113.6K43 D45 V48 K50 G51 P53 V91 R92 I93K43-H95 CarbonylContact C-O 3.55Å; K43-H95 PolarHBondContact N-O 2.79Å; K43-H95 CarbonylContact O-C 3.5Å; K43-H95 VanDerWaalsContact O-CA 3.25Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å; D45-H95 PolarHBondContact N-ND1 2.95Å; D45-H95 PolarHBondContact O-CE1 2.92Å; V48-H95 PolarHBondContact O-CE1 2.76Å; V48-H95 PolarHBondContact O-NE2 2.89Å; K50-H95 PolarHBondContact O-NE2 3.03Å; G51-H95 PolarHBondContact O-CD2 2.95Å; P53-H95 HydrophobicContact CG-CB 4.33Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; R92-H95 PolarHBondContact O-N 2.69Å; I93-H95 PolarHBondContact O-N 3.1Å; I93-H95 VanDerWaalsContact O-N 3.12Å
96V96.7Very high96.3Very high2 Ų270.9 Ų70.91%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-119.2140.9-174.5-174.80000108.9Y34 V40 I74 V91 R92 I93Y34-V96 HydrophobicContact CD1-CG1 4.46Å; Y34-V96 HydrophobicContact CE1-CG1 3.77Å; Y34-V96 PolarHBondContact OH-O 3.48Å; V40-V96 HydrophobicContact CB-CG1 3.51Å; V40-V96 HydrophobicContact CG1-CG1 3.79Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; I74-V96 HydrophobicContact CD1-CG1 4.17Å; I74-V96 HydrophobicContact CD1-CG2 3.73Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.7Å; R92-V96 WeakPolarHBondContact O-CG2 3.44Å; I93-V96 PolarHBondContact O-N 2.89Å; I93-V96 VanDerWaalsContact O-N 3.1Å
97K95.8Very high96.3Very high102 Ų10273.7 Ų73.744%0.44334%0.342SS..EExtended strand (participates in β ladder)trans-132.6142.1173.1-61.3-174-178.2-168.80109.3V40 D41V40-K97 CarbonylContact C-O 3.55Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CB-O 3.49Å; D41-K97 PolarHBondContact N-O 3.39Å; D41-K97 PolarHBondContact O-N 3.1Å
98P96Very high96.2Very high68 Ų6872.8 Ų72.844%0.44234%0.336SS..EExtended strand (participates in β ladder)trans-65.6140.3170.629.2-31.6000109.6
99S95.7Very high96.2Very high15 Ų1566.4 Ų66.411%0.10532%0.318CS..  trans-86.9124.1-177-163.30000112I39 D41 C101 R102I39-S99 PolarHBondContact O-N 3.5Å; D41-S99 PolarHBondContact OD1-OG 3.24Å; D41-S99 WeakPolarHBondContact OD2-CA 3.33Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 3.25Å; S99-C101 PolarHBondContact O-N 2.61Å; S99-C101 PolarHBondContact OG-SG 3.27Å; S99-R102 PolarHBondContact O-N 3.14Å
100K95.3Very high96.2Very high166 Ų16672.7 Ų72.772%0.72234%0.344SS*.Hα-helixtrans-65.1-20.8179.1-66-173.9177-172.40113.4R102 E103 D104K100-R102 PolarHBondContact O-N 3.39Å; K100-E103 PolarHBondContact O-N 3.05Å; K100-D104 PolarHBondContact O-N 3.3Å; K100-D104 VanDerWaalsContact O-N 3.13Å
101C93.8Very high96.2Very high81 Ų8171.6 Ų71.655%0.54734%0.336SS..Hα-helixtrans-61-34.9178.667.50000112.4S99 F105S99-C101 PolarHBondContact O-N 2.61Å; S99-C101 PolarHBondContact OG-SG 3.27Å; C101-F105 PolarHBondContact O-N 2.98Å
102R94.4Very high96.2Very high98 Ų9872.8 Ų72.837%0.3734%0.342SS..Hα-helixtrans-76.7-37179.2-174.856.6176.1-177.33.2111.5I39 S99 K100 F105 L106I39-R102 HydrophobicContact CB-CB 4.42Å; I39-R102 HydrophobicContact CD1-CB 4.24Å; I39-R102 HydrophobicContact CD1-CG 4.31Å; S99-R102 PolarHBondContact O-N 3.14Å; K100-R102 PolarHBondContact O-N 3.39Å; R102-F105 VanDerWaalsContact NH1-CD1 3.34Å; R102-F105 PolarHBondContact O-N 3.23Å; R102-L106 HydrophobicContact CG-CD1 4.05Å; R102-L106 HydrophobicContact CG-CG 4.3Å; R102-L106 WeakPolarHBondContact O-CB 3.25Å; R102-L106 VanDerWaalsContact O-CG 3.27Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.05Å
103E94.2Very high96.2Very high133 Ų13373.5 Ų73.562%0.62135%0.351SS*.Hα-helixtrans-59.9-49.6177.2-172.9-179.517900111.4K100 F105 L106 R107K100-E103 PolarHBondContact O-N 3.05Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.1Å; E103-L106 PolarHBondContact O-N 3.07Å; E103-R107 PolarHBondContact O-N 2.83Å
104D94.9Very high96.2Very high74 Ų7476.3 Ų76.340%0.39637%0.369SS..Hα-helixtrans-60.5-42.8176.6-177.664.6000112.2K100 L106 R107 R108K100-D104 PolarHBondContact O-N 3.3Å; K100-D104 VanDerWaalsContact O-N 3.13Å; D104-L106 PolarHBondContact O-N 3.15Å; D104-R107 PolarHBondContact O-N 3.47Å; D104-R107 IonicContact OD1-CZ 3.67Å; D104-R107 IonicContact OD1-NE 3.83Å; D104-R107 IonicContact OD1-NH2 2.72Å; D104-R107 PolarHBondContact OD1-NH2 2.89Å; D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 PolarHBondContact O-N 2.96Å
105F96.4Very high96.1Very high82 Ų8280.8 Ų80.836%0.3639%0.388SS..Hα-helixtrans-60.5-46.1175.4177.4-94.9000112.2C101 R102 E103 R108 V109C101-F105 PolarHBondContact O-N 2.98Å; R102-F105 VanDerWaalsContact NH1-CD1 3.34Å; R102-F105 PolarHBondContact O-N 3.23Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.1Å; F105-R108 PolarHBondContact O-N 3.04Å; F105-V109 HydrophobicContact CD1-CG2 4.11Å; F105-V109 HydrophobicContact CE1-CG2 3.64Å; F105-V109 HydrophobicContact CE2-CG2 4.35Å; F105-V109 HydrophobicContact CZ-CG2 3.77Å; F105-V109 WeakPolarHBondContact O-CG2 3.46Å; F105-V109 PolarHBondContact O-N 3.12Å
106L96.2Very high96Very high78 Ų7887.8 Ų87.841%0.40841%0.414SS..Hα-helixtrans-66.4-40-179.7-72174.5000112.1R102 E103 D104 R108 V109 K110R102-L106 HydrophobicContact CG-CD1 4.05Å; R102-L106 HydrophobicContact CG-CG 4.3Å; R102-L106 WeakPolarHBondContact O-CB 3.25Å; R102-L106 VanDerWaalsContact O-CG 3.27Å; R102-L106 WeakPolarHBondContact O-CG 3.45Å; R102-L106 PolarHBondContact O-N 3.05Å; E103-L106 PolarHBondContact O-N 3.07Å; D104-L106 PolarHBondContact O-N 3.15Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.1Å; L106-V109 PolarHBondContact O-N 3.37Å; L106-K110 WeakPolarHBondContact O-CG 3.25Å; L106-K110 PolarHBondContact O-N 2.8Å; L106-K110 VanDerWaalsContact O-N 3.15Å
107R96.7Very high96Very high143 Ų14397 Ų9754%0.5445%0.449SS..Hα-helixtrans-57-48.5172.7176.5175.759.9-170.40.7110.7E103 D104 V109 K110 E111E103-R107 PolarHBondContact O-N 2.83Å; D104-R107 PolarHBondContact O-N 3.47Å; D104-R107 IonicContact OD1-CZ 3.67Å; D104-R107 IonicContact OD1-NE 3.83Å; D104-R107 IonicContact OD1-NH2 2.72Å; D104-R107 PolarHBondContact OD1-NH2 2.89Å; R107-V109 PolarHBondContact O-N 3.2Å; R107-K110 PolarHBondContact O-N 2.84Å; R107-E111 VanDerWaalsContact CG-OE1 3.3Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 3.2Å
108R96.9Very high96Very high60 Ų6095.1 Ų95.123%0.22644%0.444CS..Hα-helixtrans-64-35.8178.4-174.4171.763.395.33.3113.5D104 F105 L106 E111 N112D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 PolarHBondContact O-N 2.96Å; F105-R108 PolarHBondContact O-N 3.04Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.1Å; R108-E111 PolarHBondContact O-N 3.39Å; R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3.19Å
109V97.6Very high96Very high53 Ų5392.6 Ų92.632%0.32143%0.429SS..Hα-helixtrans-60.1-48.6174.4169.20000109.9F105 L106 R107 E111 N112 D113F105-V109 HydrophobicContact CD1-CG2 4.11Å; F105-V109 HydrophobicContact CE1-CG2 3.64Å; F105-V109 HydrophobicContact CE2-CG2 4.35Å; F105-V109 HydrophobicContact CZ-CG2 3.77Å; F105-V109 WeakPolarHBondContact O-CG2 3.46Å; F105-V109 PolarHBondContact O-N 3.12Å; L106-V109 PolarHBondContact O-N 3.37Å; R107-V109 PolarHBondContact O-N 3.2Å; V109-E111 PolarHBondContact O-N 2.74Å; V109-N112 PolarHBondContact O-N 3.37Å; V109-D113 PolarHBondContact O-N 3.49Å
110K97.2Very high96Very high154 Ų154100 Ų10067%0.6746%0.459SS*.Hα-helixtrans-60.5-46.5177.7-66.7178179.5-1750112.3L106 R107 N112 D113 V114L106-K110 WeakPolarHBondContact O-CG 3.25Å; L106-K110 PolarHBondContact O-N 2.8Å; L106-K110 VanDerWaalsContact O-N 3.15Å; R107-K110 PolarHBondContact O-N 2.84Å; K110-N112 VanDerWaalsContact C-N 3.3Å; K110-N112 PolarHBondContact O-N 3.25Å; K110-D113 PolarHBondContact O-N 3.26Å; K110-V114 WeakPolarHBondContact O-CG2 3.44Å; K110-V114 PolarHBondContact O-N 3.2Å; K110-V114 VanDerWaalsContact O-N 3.09Å
111E97Very high96.1Very high90 Ų9099.3 Ų99.342%0.42146%0.459SS..Hα-helixtrans-60.4-40177-71.6171.4-167.600112.3R107 R108 V109 V114 K115R107-E111 VanDerWaalsContact CG-OE1 3.3Å; R107-E111 WeakPolarHBondContact CG-OE1 3.46Å; R107-E111 WeakPolarHBondContact O-CG 3.38Å; R107-E111 PolarHBondContact O-N 3.2Å; R108-E111 PolarHBondContact O-N 3.39Å; V109-E111 PolarHBondContact O-N 2.74Å; E111-V114 PolarHBondContact O-N 3.01Å; E111-K115 WeakPolarHBondContact O-CG 3.32Å; E111-K115 PolarHBondContact O-N 3.46Å
112N97.4Very high96.1Very high26 Ų26104.5 Ų104.514%0.13947%0.467CS..Hα-helixtrans-68.5-35.1177.7-80.6-3.8000112.4R108 V109 K110 R116 L128R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.41Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3.19Å; V109-N112 PolarHBondContact O-N 3.37Å; K110-N112 VanDerWaalsContact C-N 3.3Å; K110-N112 PolarHBondContact O-N 3.25Å; N112-R116 VanDerWaalsContact O-CB 3.27Å; N112-R116 WeakPolarHBondContact O-CB 3.02Å; N112-R116 PolarHBondContact O-N 3.32Å; N112-L128 HydrophobicContact CB-CD2 4.28Å; N112-L128 PolarHBondContact ND2-O 3.13Å
113D96.8Very high96.1Very high81 Ų81106.8 Ų106.843%0.43349%0.486SS..Hα-helixtrans-68.1-40.2177-70.7-23.4000111.3V109 K110 R116 R117V109-D113 PolarHBondContact O-N 3.49Å; K110-D113 PolarHBondContact O-N 3.26Å; D113-R116 PolarHBondContact O-N 3.29Å; D113-R117 PolarHBondContact O-N 3.1Å
114V96.5Very high96.1Very high85 Ų85104.7 Ų104.752%0.51548%0.482SS..Hα-helixtrans-60.7-53.5172.6174.90000110.5K110 E111 R116 R117 D118K110-V114 WeakPolarHBondContact O-CG2 3.44Å; K110-V114 PolarHBondContact O-N 3.2Å; K110-V114 VanDerWaalsContact O-N 3.09Å; E111-V114 PolarHBondContact O-N 3.01Å; V114-R116 PolarHBondContact O-N 3.43Å; V114-R117 WeakPolarHBondContact O-CB 3.13Å; V114-R117 PolarHBondContact O-N 2.75Å; V114-D118 PolarHBondContact O-N 3.47Å
115K95.8Very high96Very high106 Ų106109.7 Ų109.746%0.46150%0.501SS..Hα-helixtrans-57.6-37.5178.4-73173.7-177.91740112.7E111 A119 L128E111-K115 WeakPolarHBondContact O-CG 3.32Å; E111-K115 PolarHBondContact O-N 3.46Å; K115-A119 WeakPolarHBondContact O-CB 3.12Å; K115-A119 PolarHBondContact O-N 2.72Å; K115-L128 HydrophobicContact CB-CD2 3.92Å
116R95.8Very high95.9Very high146 Ų146108.8 Ų108.855%0.55150%0.502SS*.Hα-helixtrans-66.4-40.3177.5-172.6-177.1-58.7170.17.9111.5N112 D113 V114 K120 L128N112-R116 VanDerWaalsContact O-CB 3.27Å; N112-R116 WeakPolarHBondContact O-CB 3.02Å; N112-R116 PolarHBondContact O-N 3.32Å; D113-R116 PolarHBondContact O-N 3.29Å; V114-R116 PolarHBondContact O-N 3.43Å; R116-K120 WeakPolarHBondContact O-CB 3.44Å; R116-K120 PolarHBondContact O-N 2.81Å; R116-K120 VanDerWaalsContact O-N 3.07Å; R116-L128 HydrophobicContact CB-CD1 4.19Å
117R96Very high95.8Very high197 Ų197110.7 Ų110.774%0.74351%0.508SS*.Hα-helixtrans-64.9-49.3177.4-170.9178.2-177.7169.90.6110.8D113 V114 A119 K120 E121D113-R117 PolarHBondContact O-N 3.1Å; V114-R117 WeakPolarHBondContact O-CB 3.13Å; V114-R117 PolarHBondContact O-N 2.75Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 3.47Å; R117-K120 WeakPolarHBondContact O-CB 3.48Å; R117-K120 PolarHBondContact O-N 3.22Å; R117-K120 VanDerWaalsContact O-N 3.16Å; R117-E121 PolarHBondContact O-N 3.14Å
118D96Very high95.7Very high61 Ų61106 Ų10633%0.32649%0.494SS..Hα-helixtrans-63.2-39.4179.3-59.4-13.4000111.9V114 K120 E121 R122V114-D118 PolarHBondContact O-N 3.47Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.03Å; D118-E121 PolarHBondContact O-N 3.18Å; D118-R122 WeakPolarHBondContact O-CB 2.92Å; D118-R122 WeakPolarHBondContact O-CG 3.45Å; D118-R122 PolarHBondContact O-N 3.12Å
119A95.3Very high95.7Very high16 Ų16111.3 Ų111.313%0.13252%0.519CS..Hα-helixtrans-62.7-39.4175.600000112.2K115 R117 N123 V124 V126K115-A119 WeakPolarHBondContact O-CB 3.12Å; K115-A119 PolarHBondContact O-N 2.72Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 3.47Å; A119-N123 WeakPolarHBondContact O-CA 3.39Å; A119-N123 PolarHBondContact O-N 3.16Å; A119-V124 WeakPolarHBondContact CB-O 3.43Å; A119-V124 PolarHBondContact O-N 3.32Å; A119-V126 HydrophobicContact CB-CB 4.14Å; A119-V126 HydrophobicContact CB-CG2 3.73Å
120K95.9Very high95.6Very high170 Ų170117.5 Ų117.574%0.73954%0.536SS*.Hα-helixtrans-68.2-40.3176.5-172.4178.1-179.7-176.90111.6R116 R117 D118 N123R116-K120 WeakPolarHBondContact O-CB 3.44Å; R116-K120 PolarHBondContact O-N 2.81Å; R116-K120 VanDerWaalsContact O-N 3.07Å; R117-K120 WeakPolarHBondContact O-CB 3.48Å; R117-K120 PolarHBondContact O-N 3.22Å; R117-K120 VanDerWaalsContact O-N 3.16Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.03Å; K120-N123 PolarHBondContact O-N 2.96Å; K120-N123 PolarHBondContact O-OD1 3.27Å
121E96.5Very high95.5Very high152 Ų152115.6 Ų115.671%0.7153%0.53SS*.Hα-helixtrans-66.7-40.6177.7-173.7173.1-174.400112.1R117 D118 N123R117-E121 PolarHBondContact O-N 3.14Å; D118-E121 PolarHBondContact O-N 3.18Å; E121-N123 VanDerWaalsContact C-N 3.33Å
122R95.4Very high95.4Very high190 Ų190115.8 Ų115.872%0.71754%0.539SS*.Hα-helixtrans-83.4-6178.5-63.3176.8-173.21723.7114D118 V124D118-R122 WeakPolarHBondContact O-CB 2.92Å; D118-R122 WeakPolarHBondContact O-CG 3.45Å; D118-R122 PolarHBondContact O-N 3.12Å; R122-V124 HydrophobicContact CB-CG2 4.11Å; R122-V124 PolarHBondContact O-N 3.29Å
123N93Very high95.4Very high146 Ų146119.5 Ų119.578%0.78157%0.573SS**THydrogen-bonded Turntrans52.436.2-171-66-55.1000114.1A119 K120 E121A119-N123 WeakPolarHBondContact O-CA 3.39Å; A119-N123 PolarHBondContact O-N 3.16Å; K120-N123 PolarHBondContact O-N 2.96Å; K120-N123 PolarHBondContact O-OD1 3.27Å; E121-N123 VanDerWaalsContact C-N 3.33Å
124V95.1Very high95.3Very high88 Ų88121.7 Ų121.753%0.53358%0.581SS.*  trans-107.5137.9177.7178.40000109.8A119 R122A119-V124 WeakPolarHBondContact CB-O 3.43Å; A119-V124 PolarHBondContact O-N 3.32Å; R122-V124 HydrophobicContact CB-CG2 4.11Å; R122-V124 PolarHBondContact O-N 3.29Å
125F92.9Very high95.3Very high180 Ų180123.1 Ų123.179%0.78959%0.592SS**  trans-74129.5172.2178.1-99.4000111.4
126V93.6Very high95.3Very high62 Ų62129.3 Ų129.338%0.37661%0.612SS.*  trans-125.2129.6176.6175.30000110.6A119 L128A119-V126 HydrophobicContact CB-CB 4.14Å; A119-V126 HydrophobicContact CB-CG2 3.73Å; V126-L128 HydrophobicContact CG1-CD2 4.22Å; V126-L128 PolarHBondContact O-N 2.93Å
127Q94.1Very high95.3Very high118 Ų118126.4 Ų126.455%0.55162%0.619SS**  trans-79.2108.9174.9-176.9142.8-77.500111.6
128L95.4Very high95.2Very high45 Ų45121.1 Ų121.124%0.23663%0.626CS.*  trans-89.7-10.8-180-60.1174000114.2N112 K115 R116 V126N112-L128 HydrophobicContact CB-CD2 4.28Å; N112-L128 PolarHBondContact ND2-O 3.13Å; K115-L128 HydrophobicContact CB-CD2 3.92Å; R116-L128 HydrophobicContact CB-CD1 4.19Å; V126-L128 HydrophobicContact CG1-CD2 4.22Å; V126-L128 PolarHBondContact O-N 2.93Å
129K95.9Very high95.2Very high172 Ų172125 Ų12575%0.74864%0.642SS**SBendtrans-79.1141.5179.3-68.4-178.6-179175.90109.8
130R95.5Very high95.1Very high182 Ų182130.9 Ų130.969%0.68767%0.671SS**  trans-70.5140.6172.4-63.6-177.5-64.3-178.82.8109.2
131Q94.7Very high94.9Very high115 Ų115128 Ų12854%0.53767%0.667SS.*  trans-108.7146.1170.9-64.6-60.6-14.800109.9
132P96.7Very high94.6Very high93 Ų93128.6 Ų128.660%0.60467%0.667SS**PPolyproline II helixtrans-64.3164.3167.529.8-33.3000110Q134P132-Q134 PolarHBondContact O-N 3.1Å; P132-Q134 VanDerWaalsContact O-N 3.13Å; P132-Q134 PolarHBondContact O-NE2 3.17Å
133A96.4Very high94.3Very high105 Ų105123.7 Ų123.787%0.86866%0.658SS**PPolyproline II helixtrans-54.5121.7173.900000109.7
134Q95Very high94Very high126 Ų126126 Ų12659%0.58966%0.661SS**PPolyproline II helixtrans-83.3161.1178.3-63.8-55.7-62.600110.3P132 R136P132-Q134 PolarHBondContact O-N 3.1Å; P132-Q134 VanDerWaalsContact O-N 3.13Å; P132-Q134 PolarHBondContact O-NE2 3.17Å; Q134-R136 PolarHBondContact O-N 3.33Å
135P97.1Very high93.6Very high116 Ų116129 Ų12975%0.75367%0.674SS**PPolyproline II helixtrans-49.8142.7168.4-25.434.6000110.9A137P135-A137 PolarHBondContact O-N 2.69Å
136R95.1Very high93.3Very high236 Ų236126.1 Ų126.189%0.89167%0.667SS**PPolyproline II helixtrans-59.9131.9176.6-69.2-177.7175.6-176.7-1108.6Q134Q134-R136 PolarHBondContact O-N 3.33Å
137A95.1Very high92.9Very high84 Ų84127.7 Ų127.769%0.69468%0.679SS**PPolyproline II helixtrans-62.2148.1172.300000110.2P135 H139P135-A137 PolarHBondContact O-N 2.69Å; A137-H139 PolarHBondContact O-N 3.3Å
138G95.1Very high92.8Very high86 Ų86127.9 Ų127.989%0.88769%0.688SS**PPolyproline II helixtrans-56.8131.3169.300000109.7
139H95Very high92.5Very high142 Ų142131.1 Ų131.166%0.65771%0.709SS**  trans-139150.6174.968.5-75000109.5A137A137-H139 PolarHBondContact O-N 3.3Å
140L93.4Very high92.4Very high141 Ų141129.1 Ų129.174%0.73871%0.712SS**  trans-81.4120.2177.9-17194.7000109.6K142L140-K142 HydrophobicContact CD2-CD 4.45Å; L140-K142 HydrophobicContact CD2-CG 3.75Å
141V90.9Very high92.3Very high108 Ų108126.6 Ų126.666%0.65572%0.716SS**  trans-90.6113.3171.1-177.40000108.5
142K90.4Very high92.2Very high165 Ų165128.1 Ų128.172%0.71772%0.723SS**  trans-87.5127.3178.1-64.6-177-179.1179.80110.2L140L140-K142 HydrophobicContact CD2-CD 4.45Å; L140-K142 HydrophobicContact CD2-CG 3.75Å
143T89.6Confident92Very high87 Ų87129.5 Ų129.553%0.53473%0.732SS.*  trans-96-0.9-179.2450000114.2N145 N146 V148T143-N145 VanDerWaalsContact C-N 3.34Å; T143-N145 PolarHBondContact O-N 3Å; T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 3.13Å; T143-V148 HydrophobicContact CG2-CG2 4.11Å
144K87.2Confident91.8Very high194 Ų194131.9 Ų131.984%0.84373%0.729SS**THydrogen-bonded Turntrans-56.8-42.2-173.6-171.1177.1179.6178.80113.8
145N87Confident91.6Very high151 Ų151131.1 Ų131.181%0.80774%0.735SS**THydrogen-bonded Turntrans-108.92.7-179.6-62.5-2.8000112.5T143T143-N145 VanDerWaalsContact C-N 3.34Å; T143-N145 PolarHBondContact O-N 3Å
146N86.5Confident91.3Very high120 Ų120135 Ų13564%0.64274%0.737SS**SBendtrans-136.788.9-177.9-163.614.4000109.1T143T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 3.13Å
147P85.4Confident91Very high95 Ų95131.5 Ų131.562%0.61773%0.73SS**PPolyproline II helixtrans-65.9144.6-179.227.8-33.2000110.4V149P147-V149 PolarHBondContact O-N 3.06Å
148V91.4Very high90.3Very high123 Ų123133.8 Ų133.875%0.74573%0.73SS**PPolyproline II helixtrans-70.8118.3176.2-179.60000108.3T143T143-V148 HydrophobicContact CG2-CG2 4.11Å
149V90.1Very high89.9Confident112 Ų112137.2 Ų137.268%0.67973%0.726SS**PPolyproline II helixtrans-90.5116.5177-178.30000109P147 V151P147-V149 PolarHBondContact O-N 3.06Å; V149-V151 PolarHBondContact O-N 3.02Å
150T92.9Very high89.2Confident130 Ų130138 Ų13880%0.79876%0.758SS**  trans-75.4116170.7-53.30000109.2
151V92.6Very high89Confident129 Ų129137.9 Ų137.978%0.78276%0.759SS**  trans-95.7143.2176.5-75.70000110.7V149V149-V151 PolarHBondContact O-N 3.02Å
152H93Very high88.9Confident148 Ų148139.5 Ų139.569%0.68576%0.764SS**  trans-117.6150.4175.550.4-88.5000110.4L154H152-L154 PolarHBondContact O-N 3.42Å
153P93.9Very high88.9Confident122 Ų122138.1 Ų138.179%0.79277%0.767SS**PPolyproline II helixtrans-61.5136.4173.226-32.9000110
154L90.7Very high88.8Confident154 Ų154141.1 Ų141.181%0.80678%0.78SS**PPolyproline II helixtrans-72.3141.9173.8-70.3168.6000109.7H152H152-L154 PolarHBondContact O-N 3.42Å
155P91.2Very high88.9Confident111 Ų111137.8 Ų137.872%0.72178%0.776SS**PPolyproline II helixtrans-64.2152.1171.927.7-32.8000110.6E157P155-E157 PolarHBondContact O-N 3.43Å
156Y92Very high89Confident198 Ų198136.9 Ų136.978%0.77677%0.774SS**PPolyproline II helixtrans-63.6130.5174.6173.6-95.6000110.3L158Y156-L158 HydrophobicContact CE1-CD1 4.17Å; Y156-L158 HydrophobicContact CE1-CG 4.45Å
157E86.9Confident89.2Confident162 Ų162138.1 Ų138.176%0.75778%0.784SS**  trans-137.5139175.7-158174.1-159.100109.6P155 I159P155-E157 PolarHBondContact O-N 3.43Å; E157-I159 PolarHBondContact O-N 3.33Å
158L81Confident89.5Confident132 Ų132141.4 Ų141.469%0.69180%0.797SS**  trans-88.498.4-174.6-131.9145.5000109Y156Y156-L158 HydrophobicContact CE1-CD1 4.17Å; Y156-L158 HydrophobicContact CE1-CG 4.45Å
159I87Confident89.4Confident158 Ų158142.9 Ų142.981%0.8180%0.801SS**  trans-93.2103.1175.5-53.3174.3000107.7E157E157-I159 PolarHBondContact O-N 3.33Å
160A81.3Confident89.3Confident159 Ų159145.7 Ų145.7100%1.31481%0.812SS**  trans-106.5017300000110.9

Retrieved 160 of 160 residues in 274.2 ms (Link to these results)