A0A093I5Z3_STRCA Loading...

Large ribosomal subunit protein eL21

AlphaFold DB , UniProt , Accession A0A093I5Z3, Species STRCA (Struthio camelus australis), 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
1M65.4Low93.1Very high246 Ų246122.5 Ų122.5100%1.21265%0.65SS**  0127.10-84.2-179.9-126.100110.6
2T91.6Very high93.4Very high143 Ų143128.8 Ų128.888%0.87766%0.658SS**PPolyproline II helixtrans-92.6137.9175.746.50000111.7
3N93.9Very high93.7Very high125 Ų125132.8 Ų132.867%0.66866%0.662SS**PPolyproline II helixtrans-71.4146.6177.1-69.5-45.5000112.7
4T96.4Very high93.9Very high105 Ų105127.4 Ų127.464%0.64464%0.635SS**PPolyproline II helixtrans-63151.3179.464.90000113.2G6 R9T4-G6 VanDerWaalsContact C-N 3.35Å; T4-G6 PolarHBondContact O-N 3.4Å; T4-R9 WeakPolarHBondContact O-CD 3.39Å; T4-R9 PolarHBondContact O-NH1 3.44Å
5K95.9Very high94.1Very high211 Ų211119.5 Ų119.592%0.91760%0.595SS**  trans-94.523-176.3-62.5177.6-174.5169.70114.1
6G97Very high94.3Very high37 Ų37115.9 Ų115.938%0.38159%0.585SS.*  trans-63.6139.9-176.100000114.3T4 R8 R9T4-G6 VanDerWaalsContact C-N 3.35Å; T4-G6 PolarHBondContact O-N 3.4Å; G6-R8 PolarHBondContact O-N 3.36Å; G6-R9 WeakPolarHBondContact O-CB 3.32Å; G6-R9 PolarHBondContact O-N 3.37Å; G6-R9 VanDerWaalsContact O-N 3.12Å
7K96.6Very high94.4Very high171 Ų171112.5 Ų112.574%0.74356%0.564SS**THydrogen-bonded Turntrans-55.7-35-178.5-66178.4-178.4172.70113
8R96.5Very high94.5Very high113 Ų113110.4 Ų110.443%0.42656%0.559SS.*THydrogen-bonded Turntrans-109.720.1-179-61-173.776.4171.63.7113.9G6 G10 T11G6-R8 PolarHBondContact O-N 3.36Å; R8-G10 PolarHBondContact O-N 3.36Å; R8-T11 HydrophobicContact CB-CG2 4.43Å; R8-T11 WeakPolarHBondContact O-CG2 3.29Å; R8-T11 PolarHBondContact O-N 3.01Å; R8-T11 PolarHBondContact O-OG1 3.48Å; R8-T11 VanDerWaalsContact O-OG1 3.05Å
9R97.4Very high94.7Very high107 Ų107113.2 Ų113.240%0.40457%0.567SS.*THydrogen-bonded Turntrans-59.5129.8173.3-174-169.980-162.59.5110.2T4 G6 K55T4-R9 WeakPolarHBondContact O-CD 3.39Å; T4-R9 PolarHBondContact O-NH1 3.44Å; G6-R9 WeakPolarHBondContact O-CB 3.32Å; G6-R9 PolarHBondContact O-N 3.37Å; G6-R9 VanDerWaalsContact O-N 3.12Å; R9-K55 PolarHBondContact O-NZ 3.34Å
10G96.5Very high94.8Very high77 Ų77117.9 Ų117.979%0.79458%0.578SS**THydrogen-bonded Turntrans71.426.2174.600000114.4R8R8-G10 PolarHBondContact O-N 3.36Å
11T97.4Very high94.9Very high13 Ų13118.9 Ų118.98%0.0858%0.579CS.*  trans-106.119.8-180720000113.7R8 Y13 M14 F15 K55R8-T11 HydrophobicContact CB-CG2 4.43Å; R8-T11 WeakPolarHBondContact O-CG2 3.29Å; R8-T11 PolarHBondContact O-N 3.01Å; R8-T11 PolarHBondContact O-OG1 3.48Å; R8-T11 VanDerWaalsContact O-OG1 3.05Å; T11-Y13 PolarHBondContact O-N 2.94Å; T11-M14 HydrophobicContact CG2-CE 3.47Å; T11-M14 VanDerWaalsContact CG2-CE 3.47Å; T11-M14 PolarHBondContact O-N 3.41Å; T11-F15 VanDerWaalsContact CB-CD2 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.97Å; T11-F15 HydrophobicContact CG2-CE2 3.83Å; T11-F15 PolarHBondContact O-N 3.43Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.45Å; T11-K55 HydrophobicContact CG2-CB 3.87Å; T11-K55 HydrophobicContact CG2-CD 3.86Å; T11-K55 HydrophobicContact CG2-CG 4.42Å
12R96.1Very high96.3Very high198 Ų198113.4 Ų113.475%0.74755%0.551SS**THydrogen-bonded Turntrans-52.7-53.1-175.6-175.4179.4-174.6179.91.9111.9S16R12-S16 WeakPolarHBondContact O-CB 3.28Å
13Y97Very high96.5Very high180 Ų180109 Ų10971%0.70653%0.533SS*.THydrogen-bonded Turntrans-91.9-24.4179.5-54.3-69.7000113.6T11 S16T11-Y13 PolarHBondContact O-N 2.94Å; Y13-S16 PolarHBondContact O-OG 3.39Å
14M96.9Very high96.6Very high58 Ų58109.7 Ų109.729%0.28654%0.541SS..THydrogen-bonded Turntrans-72.8-34.7-174.6-174.7-169.968.200113T11 K55 H58T11-M14 HydrophobicContact CG2-CE 3.47Å; T11-M14 VanDerWaalsContact CG2-CE 3.47Å; T11-M14 PolarHBondContact O-N 3.41Å; M14-K55 HydrophobicContact CE-CB 3.21Å; M14-K55 HydrophobicContact SD-CB 4.02Å; M14-H58 HydrophobicContact CE-CB 4.37Å; M14-H58 HydrophobicContact CG-CB 4.23Å; M14-H58 PolarHBondContact O-CE1 3.4Å; M14-H58 VanDerWaalsContact O-CE1 3.3Å; M14-H58 HydrophobicContact SD-CB 3.7Å
15F97.1Very high96.6Very high8 Ų8105 Ų1054%0.03551%0.513CS..SBendtrans-104.87.4175.7-64.4-36.2000112.9T11 G46 M52 P53 K55 H58T11-F15 VanDerWaalsContact CB-CD2 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.97Å; T11-F15 HydrophobicContact CG2-CE2 3.83Å; T11-F15 PolarHBondContact O-N 3.43Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.45Å; F15-G46 WeakPolarHBondContact O-CA 3.27Å; F15-G46 PolarHBondContact O-N 2.8Å; F15-M52 HydrophobicContact CD1-SD 4.5Å; F15-M52 HydrophobicContact CD2-SD 3.86Å; F15-M52 HydrophobicContact CE1-SD 4.48Å; F15-M52 HydrophobicContact CE2-SD 3.84Å; F15-M52 HydrophobicContact CG-SD 4.2Å; F15-M52 HydrophobicContact CZ-CG 4.39Å; F15-M52 HydrophobicContact CZ-SD 4.15Å; F15-P53 WeakPolarHBondContact CZ-O 3.46Å; F15-K55 HydrophobicContact CZ-CB 4.39Å; F15-H58 AromaticContact CE1-ND1 3.83Å
16S96.4Very high96.7Very high63 Ų6398.8 Ų98.844%0.44149%0.494SS..SBendtrans-68.2158.6174.264.60000110.7R12 Y13R12-S16 WeakPolarHBondContact O-CB 3.28Å; Y13-S16 PolarHBondContact O-OG 3.39Å
17R96.3Very high96.7Very high58 Ų58103.1 Ų103.122%0.21951%0.508CS..PPolyproline II helixtrans-82.9145168.4-69.3-65-66.1-176.1-9.1109.4K21 T47R17-K21 VanDerWaalsContact CZ-O 3.27Å; R17-K21 PolarHBondContact NE-O 3.15Å; R17-K21 PolarHBondContact NH2-O 3.06Å; R17-T47 VanDerWaalsContact CD-OG1 3.24Å; R17-T47 WeakPolarHBondContact CD-OG1 3.37Å
18P97.1Very high96.7Very high74 Ų7498 Ų9848%0.48150%0.498SS..PPolyproline II helixtrans-60.9154.6172.2-19.331000111.3R20 K21P18-R20 PolarHBondContact O-N 3.16Å; P18-K21 HydrophobicContact CB-CB 4.12Å; P18-K21 HydrophobicContact CB-CG 4.22Å; P18-K21 HydrophobicContact CG-CB 4.41Å; P18-K21 PolarHBondContact O-N 3.21Å
19F97.3Very high96.7Very high164 Ų16493.9 Ų93.972%0.71949%0.485SS*.THydrogen-bonded Turntrans-52.8135.3176.4-177.2-117.5000111.5K21F19-K21 PolarHBondContact O-N 3.04Å
20R96.9Very high96.6Very high207 Ų20793.2 Ų93.278%0.78148%0.483SS*.THydrogen-bonded Turntrans53.124.7-176.8-61.9177.6-179.8175.51.3114.7P18P18-R20 PolarHBondContact O-N 3.16Å
21K96.3Very high96.6Very high139 Ų13996.3 Ų96.360%0.60448%0.479SS*.  trans-12530.6174.2-61.2-66.5-177.8-1740112.1R17 P18 F19R17-K21 VanDerWaalsContact CZ-O 3.27Å; R17-K21 PolarHBondContact NE-O 3.15Å; R17-K21 PolarHBondContact NH2-O 3.06Å; P18-K21 HydrophobicContact CB-CB 4.12Å; P18-K21 HydrophobicContact CB-CG 4.22Å; P18-K21 HydrophobicContact CG-CB 4.41Å; P18-K21 PolarHBondContact O-N 3.21Å; F19-K21 PolarHBondContact O-N 3.04Å
22H95.8Very high96.6Very high131 Ų131100.9 Ų100.961%0.60649%0.494SS*.  trans-80.5173.5172.4-62.8-97.4000110.9
23G95.5Very high96.6Very high49 Ų4997.7 Ų97.751%0.50549%0.491SS..SBendtrans88.5-149.4177.900000114.5
24V97Very high96.7Very high140 Ų14089.9 Ų89.985%0.84846%0.46SS*.SBendtrans-63.4137-171.8-1770000111.5
25V96.2Very high96.7Very high8 Ų894 Ų945%0.04848%0.476CS..PPolyproline II helixtrans-77.3132.2176.6-1740000109.4L27 T29 Y30 M45 T47 V48V25-L27 PolarHBondContact O-N 3.02Å; V25-T29 HydrophobicContact CG1-CG2 4.28Å; V25-Y30 HydrophobicContact CB-CE2 3.85Å; V25-Y30 HydrophobicContact CG1-CE2 4.03Å; V25-M45 HydrophobicContact CB-CE 4.37Å; V25-M45 HydrophobicContact CG1-CE 4.14Å; V25-M45 HydrophobicContact CG1-SD 4.46Å; V25-M45 HydrophobicContact CG2-CE 3.35Å; V25-M45 HydrophobicContact CG2-SD 4.48Å; V25-T47 HydrophobicContact CG2-CG2 4.13Å; V25-V48 HydrophobicContact CG2-CG2 4.43Å
26P96.8Very high96.7Very high80 Ų80101.7 Ų101.752%0.51951%0.51SS..PPolyproline II helixtrans-57.6136.5179-24.833.5000112.6A28 T29P26-A28 PolarHBondContact O-N 3.4Å; P26-T29 VanDerWaalsContact O-CB 3.29Å; P26-T29 WeakPolarHBondContact O-CB 3.5Å; P26-T29 PolarHBondContact O-N 3.18Å; P26-T29 PolarHBondContact O-OG1 3.4Å
27L97Very high96.8Very high127 Ų12799.6 Ų99.667%0.66550%0.499SS*.Hα-helixtrans-57.4-32.5-178-66.6178.5000113.4V25 T29 Y30 M31V25-L27 PolarHBondContact O-N 3.02Å; L27-T29 PolarHBondContact O-N 3.02Å; L27-Y30 PolarHBondContact O-N 3.04Å; L27-M31 HydrophobicContact CB-CE 4.06Å; L27-M31 PolarHBondContact O-N 2.88Å; L27-M31 VanDerWaalsContact O-N 3.15Å
28A96.9Very high96.8Very high65 Ų6599.2 Ų99.254%0.53750%0.501SS..Hα-helixtrans-58.7-16.8174.700000113.9P26 R32P26-A28 PolarHBondContact O-N 3.4Å; A28-R32 VanDerWaalsContact O-CG 3.29Å; A28-R32 WeakPolarHBondContact O-CG 3.46Å
29T96.3Very high96.9Very high26 Ų2698.4 Ų98.416%0.1649%0.492CS..Hα-helixtrans-75.2-40.3173.2-47.70000111.1V25 P26 L27V25-T29 HydrophobicContact CG1-CG2 4.28Å; P26-T29 VanDerWaalsContact O-CB 3.29Å; P26-T29 WeakPolarHBondContact O-CB 3.5Å; P26-T29 PolarHBondContact O-N 3.18Å; P26-T29 PolarHBondContact O-OG1 3.4Å; L27-T29 PolarHBondContact O-N 3.02Å
30Y96.5Very high96.9Very high92 Ų9290.6 Ų90.636%0.36146%0.458SS..Hα-helixtrans-76.6-34.2-177.7-62-79.8000112.4V25 L27 R32 I93 E94V25-Y30 HydrophobicContact CB-CE2 3.85Å; V25-Y30 HydrophobicContact CG1-CE2 4.03Å; L27-Y30 PolarHBondContact O-N 3.04Å; Y30-R32 PolarHBondContact O-N 3.32Å; Y30-I93 HydrophobicContact CD1-CD1 4.1Å; Y30-I93 HydrophobicContact CD1-CG1 4.45Å; Y30-E94 HydrophobicContact CD1-CG 4.16Å; Y30-E94 HydrophobicContact CE1-CG 3.46Å; Y30-E94 VanDerWaalsContact CE1-CG 3.46Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.44Å
31M96.6Very high97Very high143 Ų14382 Ų8270%0.70443%0.427SS*.THydrogen-bonded Turntrans-81.47.6-177.8-60.2-174.2-66.500113.9L27 I33L27-M31 HydrophobicContact CB-CE 4.06Å; L27-M31 PolarHBondContact O-N 2.88Å; L27-M31 VanDerWaalsContact O-N 3.15Å; M31-I33 PolarHBondContact O-N 2.93Å
32R96.5Very high97.1Very high108 Ų10875.4 Ų75.441%0.40840%0.398SS..  trans-72125.8177.4-72.7179.2176.1-165.9-6.3110.4A28 Y30 Y34A28-R32 VanDerWaalsContact O-CG 3.29Å; A28-R32 WeakPolarHBondContact O-CG 3.46Å; Y30-R32 PolarHBondContact O-N 3.32Å; R32-Y34 HydrophobicContact CB-CD2 4.41Å; R32-Y34 HydrophobicContact CB-CE2 3.66Å; R32-Y34 WeakPolarHBondContact O-CD2 3.38Å
33I97.2Very high97.1Very high131 Ų13174.9 Ų74.967%0.67239%0.394SS*.  trans-84.5123.4177-56.7170.6000108.6M31 K35 H98M31-I33 PolarHBondContact O-N 2.93Å; I33-K35 HydrophobicContact CG2-CG 4.46Å; I33-H98 PolarHBondContact O-CE1 2.68Å; I33-H98 PolarHBondContact O-NE2 2.85Å
34Y97.8Very high97.2Very high17 Ų1772.7 Ų72.77%0.06737%0.372CS..  trans-113.6134.2173.2-64.8-81.9000109.6R32 V40 V72 I93 I96 H98R32-Y34 HydrophobicContact CB-CD2 4.41Å; R32-Y34 HydrophobicContact CB-CE2 3.66Å; R32-Y34 WeakPolarHBondContact O-CD2 3.38Å; Y34-V40 HydrophobicContact CD1-CG1 3.75Å; Y34-V40 HydrophobicContact CE1-CG1 3.77Å; Y34-V72 HydrophobicContact CD2-CG2 4.08Å; Y34-V72 HydrophobicContact CG-CG2 4.12Å; Y34-I93 HydrophobicContact CD2-CG2 4.17Å; Y34-I93 HydrophobicContact CE2-CB 4.3Å; Y34-I93 HydrophobicContact CE2-CG2 4.08Å; Y34-I96 HydrophobicContact CE1-CG2 3.76Å; Y34-I96 PolarHBondContact OH-O 3.34Å; Y34-I96 VanDerWaalsContact OH-O 3.06Å; Y34-H98 AromaticContact CD1-CE1 3.47Å; Y34-H98 VanDerWaalsContact CD1-CE1 3.47Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.2Å; Y34-H98 AromaticContact CD1-NE2 3.44Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.14Å; Y34-H98 AromaticContact CE1-CE1 3.37Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.12Å; Y34-H98 AromaticContact CE1-ND1 3.74Å; Y34-H98 AromaticContact CE1-NE2 3.68Å; Y34-H98 AromaticContact CZ-CE1 3.97Å
35K97.4Very high97.1Very high143 Ų14366.9 Ų66.962%0.62234%0.336SS*.  trans-115.3158176.3-61.9-175.1-179.8-176.60110.9I33 G37 D38 V64I33-K35 HydrophobicContact CG2-CG 4.46Å; K35-G37 PolarHBondContact O-N 3.44Å; K35-D38 WeakPolarHBondContact CA-OD2 3.46Å; K35-D38 WeakPolarHBondContact CB-OD2 3.37Å; K35-D38 PolarHBondContact N-OD2 3.1Å; K35-D38 WeakPolarHBondContact O-CB 3.3Å; K35-D38 PolarHBondContact O-N 2.92Å; K35-V64 WeakPolarHBondContact O-CB 3.39Å; K35-V64 WeakPolarHBondContact O-CG1 3.5Å
36K97.9Very high97Very high170 Ų17067.5 Ų67.574%0.73934%0.344SS*.THydrogen-bonded Turntrans-61.2128.1174.2-172.9175.3179.4-178.40109.3Y65K36-Y65 WeakPolarHBondContact CE-O 3.44Å
37G96.6Very high97Very high20 Ų2066.7 Ų66.721%0.20634%0.338CS..THydrogen-bonded Turntrans96.3-7.8-179.700000115.3K35 R63 V64K35-G37 PolarHBondContact O-N 3.44Å; G37-R63 VanDerWaalsContact CA-NE 3.32Å; G37-R63 WeakPolarHBondContact O-CG 3.38Å; G37-R63 PolarHBondContact O-NE 2.86Å; G37-V64 PolarHBondContact N-O 3.3Å
38D97.6Very high97Very high50 Ų5061.6 Ų61.627%0.26731%0.312SS..  trans-65.2148.4176.1-69.5-16.6000111.7K35 R63 V64 H98K35-D38 WeakPolarHBondContact CA-OD2 3.46Å; K35-D38 WeakPolarHBondContact CB-OD2 3.37Å; K35-D38 PolarHBondContact N-OD2 3.1Å; K35-D38 WeakPolarHBondContact O-CB 3.3Å; K35-D38 PolarHBondContact O-N 2.92Å; D38-R63 WeakPolarHBondContact O-CA 3.17Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.41Å; D38-H98 IonicContact OD2-NE2 2.66Å
39I97.9Very high97Very high56 Ų5665.4 Ų65.429%0.28732%0.319SS..EExtended strand (participates in β ladder)trans-94.9122.5176-57.8-174.6000108.7T61 G62 S99 R102I39-T61 HydrophobicContact CG2-CG2 3.4Å; I39-T61 VanDerWaalsContact CG2-CG2 3.4Å; I39-G62 WeakPolarHBondContact CA-O 3.42Å; I39-S99 PolarHBondContact O-N 3.36Å; I39-S99 VanDerWaalsContact O-N 3.08Å; I39-R102 HydrophobicContact CB-CB 4.41Å; I39-R102 HydrophobicContact CD1-CB 4.17Å; I39-R102 HydrophobicContact CD1-CG 4.2Å
40V98.3Very high97Very high0 Ų070.2 Ų70.20%034%0.339CS..EExtended strand (participates in β ladder)trans-129.8141.6-173-62.60000111.6Y34 T61 G62 V64 I74 I96 K97Y34-V40 HydrophobicContact CD1-CG1 3.75Å; Y34-V40 HydrophobicContact CE1-CG1 3.77Å; V40-T61 CarbonylContact O-C 3.56Å; V40-T61 WeakPolarHBondContact O-CA 3.39Å; V40-T61 WeakPolarHBondContact O-CG2 3.15Å; V40-G62 PolarHBondContact N-O 2.84Å; V40-G62 PolarHBondContact O-N 3.24Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.97Å; V40-I74 HydrophobicContact CG2-CD1 3.67Å; V40-I74 HydrophobicContact CG2-CG1 3.9Å; V40-I74 HydrophobicContact CG2-CG2 4Å; V40-I96 HydrophobicContact CB-CG2 3.5Å; V40-I96 HydrophobicContact CG1-CG2 3.9Å; V40-I96 HydrophobicContact CG2-CG2 3.88Å; V40-K97 CarbonylContact C-O 3.43Å; V40-K97 VanDerWaalsContact CA-O 3.32Å; V40-K97 WeakPolarHBondContact CA-O 3.45Å
41D98.1Very high97Very high26 Ų2667.6 Ų67.614%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-97.3140.4172.6-52.3-35.8000109.9T61 I96 K97 S99D41-T61 WeakPolarHBondContact OD1-CB 3.47Å; D41-T61 VanDerWaalsContact OD1-CG2 3.24Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.42Å; D41-T61 PolarHBondContact OD1-OG1 3.28Å; D41-I96 WeakPolarHBondContact O-CA 3.32Å; D41-K97 HydrophobicContact CB-CD 4.35Å; D41-K97 VanDerWaalsContact CB-CE 3.49Å; D41-K97 HydrophobicContact CB-CG 3.82Å; D41-K97 PolarHBondContact N-O 3.4Å; D41-K97 PolarHBondContact O-N 2.9Å; D41-K97 WeakPolarHBondContact OD2-CE 3.47Å; D41-K97 IonicContact OD2-NZ 3.7Å; D41-S99 WeakPolarHBondContact OD1-CB 3.49Å; D41-S99 PolarHBondContact OD1-OG 2.83Å
42I98.3Very high97.1Very high1 Ų162.6 Ų62.61%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-100120.3-178.5-60.4162.2000109.3P53 Y57 G59 K60 I74 V76 I89I42-P53 HydrophobicContact CG2-CB 3.79Å; I42-P53 HydrophobicContact CG2-CG 3.62Å; I42-Y57 WeakPolarHBondContact CB-O 3.38Å; I42-Y57 WeakPolarHBondContact CG2-O 3.35Å; I42-G59 PolarHBondContact O-N 2.97Å; I42-K60 WeakPolarHBondContact CB-O 3.46Å; I42-K60 PolarHBondContact N-O 3.43Å; I42-I74 HydrophobicContact CD1-CD1 4.16Å; I42-I74 HydrophobicContact CD1-CG2 4.44Å; I42-I74 HydrophobicContact CG1-CD1 3.92Å; I42-V76 HydrophobicContact CD1-CG2 3.45Å; I42-V76 VanDerWaalsContact CD1-CG2 3.45Å; I42-I89 HydrophobicContact CD1-CD1 3.77Å
43K97.7Very high97.1Very high120 Ų12057.8 Ų57.852%0.52230%0.298SS..  trans-136.496.8173.6-170.6174.1-176.3174.40109.5H95K43-H95 CarbonylContact C-O 3.58Å; K43-H95 PolarHBondContact N-O 3.11Å; K43-H95 CarbonylContact O-C 3.52Å; K43-H95 WeakPolarHBondContact O-CA 3.47Å
44G96Very high97.2Very high4 Ų455.1 Ų55.14%0.04128%0.283CS..  trans-61.7137.917500000111.5H58G44-H58 PolarHBondContact N-ND1 2.89Å
45M95.4Very high97.2Very high17 Ų1756.9 Ų56.98%0.08429%0.291CS..  trans-124139.1177.363.5-179.1-81.100110.4V25 T47 V48 M52 E94 H95V25-M45 HydrophobicContact CB-CE 4.37Å; V25-M45 HydrophobicContact CG1-CE 4.14Å; V25-M45 HydrophobicContact CG1-SD 4.46Å; V25-M45 HydrophobicContact CG2-CE 3.35Å; V25-M45 HydrophobicContact CG2-SD 4.48Å; M45-T47 VanDerWaalsContact C-N 3.34Å; M45-T47 PolarHBondContact O-N 3.42Å; M45-V48 VanDerWaalsContact O-O 3.12Å; M45-M52 VanDerWaalsContact O-CE 3.28Å; M45-M52 WeakPolarHBondContact O-CE 3.47Å; M45-E94 HydrophobicContact SD-CB 3.97Å; M45-E94 VanDerWaalsContact SD-O 3.37Å; M45-H95 WeakPolarHBondContact CG-ND1 3.46Å; M45-H95 PolarHBondContact N-ND1 3.23Å; M45-H95 PolarHBondContact O-CE1 2.89Å; M45-H95 VanDerWaalsContact O-CE1 3.28Å
46G95.2Very high97.2Very high22 Ų2252 Ų5223%0.22728%0.275CS..THydrogen-bonded Turntrans-71.2-19.7-172.900000116.3F15F15-G46 WeakPolarHBondContact O-CA 3.27Å; F15-G46 PolarHBondContact O-N 2.8Å
47T96.2Very high97.2Very high62 Ų6245 Ų4538%0.3824%0.244SC..THydrogen-bonded Turntrans-64.2-42.1-177.4-48.90000112.1R17 V25 M45R17-T47 VanDerWaalsContact CD-OG1 3.24Å; R17-T47 WeakPolarHBondContact CD-OG1 3.37Å; V25-T47 HydrophobicContact CG2-CG2 4.13Å; M45-T47 VanDerWaalsContact C-N 3.34Å; M45-T47 PolarHBondContact O-N 3.42Å
48V96.8Very high97.3Very high20 Ų2046.5 Ų46.512%0.12125%0.245CC..  trans-103.3123.2177.5179.90000108.3V25 M45 M52 E94 H95V25-V48 HydrophobicContact CG2-CG2 4.43Å; M45-V48 VanDerWaalsContact O-O 3.12Å; V48-M52 WeakPolarHBondContact O-CE 3.38Å; V48-E94 HydrophobicContact CG2-CB 4.3Å; V48-E94 HydrophobicContact CG2-CG 3.99Å; V48-H95 PolarHBondContact O-CE1 3.17Å; V48-H95 PolarHBondContact O-NE2 2.97Å
49Q96.4Very high97.2Very high146 Ų14647 Ų4768%0.68226%0.261SS*.  trans-95.9-29.1-175.6-58.1-176.713.700112.7M52Q49-M52 WeakPolarHBondContact O-CB 3.47Å
50Q97.2Very high97.2Very high127 Ų12749.2 Ų49.259%0.59327%0.269SS*.THydrogen-bonded Turntrans-71.1141-179.7-68.2-176-15.800111.3M52 R92Q50-M52 PolarHBondContact O-N 2.97Å; Q50-M52 VanDerWaalsContact O-N 3.1Å; Q50-R92 WeakPolarHBondContact O-CD 3.37Å; Q50-R92 VanDerWaalsContact OE1-CZ 3.31Å
51G96.6Very high97.2Very high37 Ų3752.4 Ų52.438%0.38129%0.289SS..THydrogen-bonded Turntrans60.819.1179.600000114.7R92 H95G51-R92 PolarHBondContact O-N 3.39Å; G51-H95 PolarHBondContact O-CD2 3.48Å
52M97.4Very high97.2Very high37 Ų3751.7 Ų51.718%0.18229%0.287CS..PPolyproline II helixtrans-66132.2178.9-174.6-179.9-7200111F15 M45 V48 Q49 Q50 H95F15-M52 HydrophobicContact CD1-SD 4.5Å; F15-M52 HydrophobicContact CD2-SD 3.86Å; F15-M52 HydrophobicContact CE1-SD 4.48Å; F15-M52 HydrophobicContact CE2-SD 3.84Å; F15-M52 HydrophobicContact CG-SD 4.2Å; F15-M52 HydrophobicContact CZ-CG 4.39Å; F15-M52 HydrophobicContact CZ-SD 4.15Å; M45-M52 VanDerWaalsContact O-CE 3.28Å; M45-M52 WeakPolarHBondContact O-CE 3.47Å; V48-M52 WeakPolarHBondContact O-CE 3.38Å; Q49-M52 WeakPolarHBondContact O-CB 3.47Å; Q50-M52 PolarHBondContact O-N 2.97Å; Q50-M52 VanDerWaalsContact O-N 3.1Å; M52-H95 WeakPolarHBondContact CA-NE2 3.43Å
53P98.1Very high97.2Very high7 Ų759 Ų595%0.04532%0.315CS..PPolyproline II helixtrans-69.814817729.6-35.1000111F15 I42 V91 H95F15-P53 WeakPolarHBondContact CZ-O 3.46Å; I42-P53 HydrophobicContact CG2-CB 3.79Å; I42-P53 HydrophobicContact CG2-CG 3.62Å; P53-V91 HydrophobicContact CB-CG1 4.37Å; P53-V91 HydrophobicContact CB-CG2 4.08Å; P53-V91 HydrophobicContact CG-CG1 4.32Å; P53-H95 HydrophobicContact CG-CB 4.32Å
54H98.1Very high97.3Very high75 Ų7553.5 Ų53.535%0.34729%0.292SS..PPolyproline II helixtrans-62.5147.8169.4-178.8-95.5000110.8C56 Y57H54-C56 PolarHBondContact ND1-N 3.34Å; H54-C56 PolarHBondContact ND1-SG 3.1Å; H54-C56 PolarHBondContact O-N 3.38Å; H54-Y57 HydrophobicContact CB-CD2 4.06Å; H54-Y57 HydrophobicContact CB-CE2 4.25Å; H54-Y57 PolarHBondContact O-N 3.47Å
55K97.6Very high97.4Very high55 Ų5556.2 Ų56.224%0.23930%0.301CS..G310 helixtrans-50.6-30.7-176.659.6178.4172.2-179.40115.6R9 T11 M14 F15 Y57 H58R9-K55 PolarHBondContact O-NZ 3.34Å; T11-K55 HydrophobicContact CG2-CB 3.87Å; T11-K55 HydrophobicContact CG2-CD 3.86Å; T11-K55 HydrophobicContact CG2-CG 4.42Å; M14-K55 HydrophobicContact CE-CB 3.21Å; M14-K55 HydrophobicContact SD-CB 4.02Å; F15-K55 HydrophobicContact CZ-CB 4.39Å; K55-Y57 PolarHBondContact O-N 3.32Å; K55-Y57 VanDerWaalsContact O-N 3.17Å; K55-H58 PolarHBondContact O-N 3.49Å
56C97.7Very high97.5Very high41 Ų4158.8 Ų58.828%0.27732%0.315SS..G310 helixtrans-66-15.5178.268.40000114.4H54 K78H54-C56 PolarHBondContact ND1-N 3.34Å; H54-C56 PolarHBondContact ND1-SG 3.1Å; H54-C56 PolarHBondContact O-N 3.38Å; C56-K78 PolarHBondContact SG-NZ 2.98Å
57Y98.3Very high97.6Very high22 Ų2261 Ų619%0.08632%0.324CS..G310 helixtrans-102.7-4.9178.6-55.1-65000112.9I42 H54 K55 G59 K60 V76 K78 K87 I89I42-Y57 WeakPolarHBondContact CB-O 3.38Å; I42-Y57 WeakPolarHBondContact CG2-O 3.35Å; H54-Y57 HydrophobicContact CB-CD2 4.06Å; H54-Y57 HydrophobicContact CB-CE2 4.25Å; H54-Y57 PolarHBondContact O-N 3.47Å; K55-Y57 PolarHBondContact O-N 3.32Å; K55-Y57 VanDerWaalsContact O-N 3.17Å; Y57-G59 PolarHBondContact O-N 2.92Å; Y57-K60 WeakPolarHBondContact O-CB 3.33Å; Y57-K60 PolarHBondContact O-N 3.42Å; Y57-K60 VanDerWaalsContact O-N 3.08Å; Y57-V76 HydrophobicContact CD1-CB 4.28Å; Y57-V76 HydrophobicContact CD1-CG1 3.98Å; Y57-V76 HydrophobicContact CE1-CB 4.49Å; Y57-V76 HydrophobicContact CE1-CG1 4.48Å; Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 3.99Å; Y57-K87 WeakPolarHBondContact OH-CD 3.49Å; Y57-I89 HydrophobicContact CD1-CD1 4.27Å; Y57-I89 HydrophobicContact CD2-CD1 4.03Å; Y57-I89 HydrophobicContact CD2-CG2 4.34Å; Y57-I89 HydrophobicContact CE1-CG2 4.44Å; Y57-I89 HydrophobicContact CE2-CD1 4.44Å; Y57-I89 HydrophobicContact CE2-CG2 3.74Å; Y57-I89 HydrophobicContact CG-CD1 3.92Å
58H97.8Very high97.7Very high52 Ų5261.5 Ų61.524%0.24133%0.327CS..THydrogen-bonded Turntrans-63129.6174.9-170102.5000109.7M14 F15 G44 K55 K60M14-H58 HydrophobicContact CE-CB 4.37Å; M14-H58 HydrophobicContact CG-CB 4.23Å; M14-H58 PolarHBondContact O-CE1 3.4Å; M14-H58 VanDerWaalsContact O-CE1 3.3Å; M14-H58 HydrophobicContact SD-CB 3.7Å; F15-H58 AromaticContact CE1-ND1 3.83Å; G44-H58 PolarHBondContact N-ND1 2.89Å; K55-H58 PolarHBondContact O-N 3.49Å; H58-K60 PolarHBondContact O-N 2.66Å
59G97.1Very high97.7Very high59 Ų5968.8 Ų68.861%0.60836%0.36SS*.THydrogen-bonded Turntrans73.810.1-176.600000114.4I42 Y57I42-G59 PolarHBondContact O-N 2.97Å; Y57-G59 PolarHBondContact O-N 2.92Å
60K97.9Very high97.7Very high103 Ų10366.3 Ų66.345%0.44835%0.348SS..  trans-91.1149.1172.9-59.9-61.2180-175.40110.6I42 Y57 H58 V76I42-K60 WeakPolarHBondContact CB-O 3.46Å; I42-K60 PolarHBondContact N-O 3.43Å; Y57-K60 WeakPolarHBondContact O-CB 3.33Å; Y57-K60 PolarHBondContact O-N 3.42Å; Y57-K60 VanDerWaalsContact O-N 3.08Å; H58-K60 PolarHBondContact O-N 2.66Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.36Å
61T98.4Very high97.7Very high67 Ų6761.1 Ų61.141%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-107.2143.6174.2-53.70000108.8I39 V40 D41I39-T61 HydrophobicContact CG2-CG2 3.4Å; I39-T61 VanDerWaalsContact CG2-CG2 3.4Å; V40-T61 CarbonylContact O-C 3.56Å; V40-T61 WeakPolarHBondContact O-CA 3.39Å; V40-T61 WeakPolarHBondContact O-CG2 3.15Å; D41-T61 WeakPolarHBondContact OD1-CB 3.47Å; D41-T61 VanDerWaalsContact OD1-CG2 3.24Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.42Å; D41-T61 PolarHBondContact OD1-OG1 3.28Å
62G97.8Very high97.8Very high11 Ų1159.4 Ų59.411%0.11331%0.309CS..EExtended strand (participates in β ladder)trans-148.6-178.9179.400000112.1I39 V40 I75I39-G62 WeakPolarHBondContact CA-O 3.42Å; V40-G62 PolarHBondContact N-O 2.84Å; V40-G62 PolarHBondContact O-N 3.24Å; G62-I75 WeakPolarHBondContact CA-O 3.24Å
63R98.3Very high97.9Very high156 Ų15657.7 Ų57.759%0.58930%0.3SS*.EExtended strand (participates in β ladder)trans-113.7135.6178.8-167.2174.4-173.4-166.3-8.4110.6G37 D38 Y65 I74 I75G37-R63 VanDerWaalsContact CA-NE 3.32Å; G37-R63 WeakPolarHBondContact O-CG 3.38Å; G37-R63 PolarHBondContact O-NE 2.86Å; D38-R63 WeakPolarHBondContact O-CA 3.17Å; R63-Y65 PolarHBondContact O-N 2.96Å; R63-I74 WeakPolarHBondContact O-CA 3.32Å; R63-I75 PolarHBondContact N-O 3.27Å; R63-I75 PolarHBondContact O-N 3.5Å
64V98.5Very high97.9Very high4 Ų457.3 Ų57.32%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-68.5127.6176.8178.90000110.1K35 G37 D38 V40 V67 V72 G73K35-V64 WeakPolarHBondContact O-CB 3.39Å; K35-V64 WeakPolarHBondContact O-CG1 3.5Å; G37-V64 PolarHBondContact N-O 3.3Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.41Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.97Å; V64-V67 HydrophobicContact CG1-CG2 3.79Å; V64-V72 HydrophobicContact CB-CG1 4.04Å; V64-V72 HydrophobicContact CG1-CG1 3.4Å; V64-V72 HydrophobicContact CG2-CG1 3.55Å; V64-G73 CarbonylContact C-O 3.54Å; V64-G73 WeakPolarHBondContact CA-O 3.48Å
65Y98.3Very high97.9Very high60 Ų6056.4 Ų56.424%0.23530%0.295CS..EExtended strand (participates in β ladder)trans-111.7-28.9174.681.5-89.1000113.3K36 R63 G73 I75 R88 N90K36-Y65 WeakPolarHBondContact CE-O 3.44Å; R63-Y65 PolarHBondContact O-N 2.96Å; Y65-G73 WeakPolarHBondContact CD1-O 3.47Å; Y65-G73 PolarHBondContact N-O 3.39Å; Y65-I75 HydrophobicContact CD1-CD1 4.46Å; Y65-I75 HydrophobicContact CD1-CG1 3.78Å; Y65-I75 HydrophobicContact CG-CD1 4.25Å; Y65-I75 HydrophobicContact CG-CG1 4.08Å; Y65-R88 HydrophobicContact CD1-CG 4.28Å; Y65-R88 HydrophobicContact CE1-CB 3.89Å; Y65-R88 HydrophobicContact CE1-CG 3.96Å; Y65-N90 PolarHBondContact OH-OD1 2.89Å
66N98.1Very high97.9Very high72 Ų7253.8 Ų53.839%0.38528%0.284SS..EExtended strand (participates in β ladder)trans-140.3149.9179.9-170.631.1000110.2G73N66-G73 PolarHBondContact N-O 3.26Å; N66-G73 PolarHBondContact O-N 3.09Å
67V98.1Very high97.9Very high67 Ų6756.9 Ų56.941%0.40630%0.298SS..EExtended strand (participates in β ladder)trans-129.6129.8176.7-177.60000107.6V64V64-V67 HydrophobicContact CG1-CG2 3.79Å
68T97.3Very high97.9Very high74 Ų7458.6 Ų58.645%0.45431%0.306SS..  trans-122.9177.4177.2710000110H70 A71T68-H70 VanDerWaalsContact C-N 3.27Å; T68-H70 PolarHBondContact O-N 2.93Å; T68-H70 VanDerWaalsContact O-N 3.16Å; T68-A71 PolarHBondContact N-O 3.36Å; T68-A71 PolarHBondContact OG1-N 3.17Å; T68-A71 PolarHBondContact OG1-O 3.25Å; T68-A71 VanDerWaalsContact OG1-O 3.05Å
69Q97.2Very high97.9Very high172 Ų17263.6 Ų63.680%0.80433%0.327SS*.SBendtrans-53.1-38.9-174.2-168.2-177.40.800114.3
70H96.8Very high97.9Very high94 Ų9463.1 Ų63.144%0.43531%0.312SS..SBendtrans-130-2-175.9-56.1-54.2000113.8T68T68-H70 VanDerWaalsContact C-N 3.27Å; T68-H70 PolarHBondContact O-N 2.93Å; T68-H70 VanDerWaalsContact O-N 3.16Å
71A97.6Very high97.8Very high18 Ų1867.6 Ų67.615%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-141.2164.8-173.300000112.1T68 V91 R92T68-A71 PolarHBondContact N-O 3.36Å; T68-A71 PolarHBondContact OG1-N 3.17Å; T68-A71 PolarHBondContact OG1-O 3.25Å; T68-A71 VanDerWaalsContact OG1-O 3.05Å; A71-V91 WeakPolarHBondContact CA-O 3.33Å; A71-V91 WeakPolarHBondContact CB-O 3.46Å; A71-R92 HydrophobicContact CB-CG 4.2Å
72V98.3Very high97.7Very high2 Ų268.2 Ų68.21%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-128130.1-179.2-175.20000108.3Y34 V64 I74 V91 I93 I96Y34-V72 HydrophobicContact CD2-CG2 4.08Å; Y34-V72 HydrophobicContact CG-CG2 4.12Å; V64-V72 HydrophobicContact CB-CG1 4.04Å; V64-V72 HydrophobicContact CG1-CG1 3.4Å; V64-V72 HydrophobicContact CG2-CG1 3.55Å; V72-I74 HydrophobicContact CG1-CG1 4.18Å; V72-V91 PolarHBondContact N-O 2.91Å; V72-V91 PolarHBondContact O-N 3.29Å; V72-I93 HydrophobicContact CG2-CG2 4Å; V72-I96 HydrophobicContact CB-CD1 3.75Å; V72-I96 HydrophobicContact CG2-CD1 4.13Å
73G98.4Very high97.7Very high0 Ų074 Ų740%037%0.373CS..EExtended strand (participates in β ladder)trans-82121.3170.700000109.7V64 Y65 N66 I89V64-G73 CarbonylContact C-O 3.54Å; V64-G73 WeakPolarHBondContact CA-O 3.48Å; Y65-G73 WeakPolarHBondContact CD1-O 3.47Å; Y65-G73 PolarHBondContact N-O 3.39Å; N66-G73 PolarHBondContact N-O 3.26Å; N66-G73 PolarHBondContact O-N 3.09Å; G73-I89 CarbonylContact C-O 3.6Å; G73-I89 WeakPolarHBondContact CA-O 3.43Å
74I98.6Very high97.7Very high0 Ų072.2 Ų72.20%037%0.374CS..EExtended strand (participates in β ladder)trans-119.1133.8-177-52.4167.3000109.7V40 I42 R63 V72 V76 R88 I89 V91 I96V40-I74 HydrophobicContact CG2-CD1 3.67Å; V40-I74 HydrophobicContact CG2-CG1 3.9Å; V40-I74 HydrophobicContact CG2-CG2 4Å; I42-I74 HydrophobicContact CD1-CD1 4.16Å; I42-I74 HydrophobicContact CD1-CG2 4.44Å; I42-I74 HydrophobicContact CG1-CD1 3.92Å; R63-I74 WeakPolarHBondContact O-CA 3.32Å; V72-I74 HydrophobicContact CG1-CG1 4.18Å; I74-V76 HydrophobicContact CB-CG2 4.24Å; I74-V76 HydrophobicContact CG2-CG2 3.59Å; I74-R88 WeakPolarHBondContact O-CA 3.42Å; I74-I89 HydrophobicContact CB-CG1 4.24Å; I74-I89 PolarHBondContact N-O 3.32Å; I74-I89 PolarHBondContact O-N 3.29Å; I74-V91 HydrophobicContact CD1-CB 4.26Å; I74-V91 HydrophobicContact CD1-CG2 4.48Å; I74-I96 HydrophobicContact CD1-CD1 3.66Å; I74-I96 HydrophobicContact CD1-CG1 3.88Å; I74-I96 HydrophobicContact CD1-CG2 4.44Å
75I98.4Very high97.6Very high55 Ų5574.9 Ų74.928%0.28239%0.388SS..EExtended strand (participates in β ladder)trans-88.9118.1165.4-62.4168000107.9G62 R63 Y65 A86 K87 R88G62-I75 WeakPolarHBondContact CA-O 3.24Å; R63-I75 PolarHBondContact N-O 3.27Å; R63-I75 PolarHBondContact O-N 3.5Å; Y65-I75 HydrophobicContact CD1-CD1 4.46Å; Y65-I75 HydrophobicContact CD1-CG1 3.78Å; Y65-I75 HydrophobicContact CG-CD1 4.25Å; Y65-I75 HydrophobicContact CG-CG1 4.08Å; I75-A86 HydrophobicContact CG2-CB 3.91Å; I75-K87 CarbonylContact C-O 3.58Å; I75-K87 WeakPolarHBondContact CA-O 3.38Å; I75-R88 HydrophobicContact CG1-CG 3.89Å
76V98.3Very high97.6Very high1 Ų175.4 Ų75.41%0.00640%0.404CS..EExtended strand (participates in β ladder)trans-123.9135.5-178.9-173.40000110.1I42 Y57 K60 I74 K78 K87 I89I42-V76 HydrophobicContact CD1-CG2 3.45Å; I42-V76 VanDerWaalsContact CD1-CG2 3.45Å; Y57-V76 HydrophobicContact CD1-CB 4.28Å; Y57-V76 HydrophobicContact CD1-CG1 3.98Å; Y57-V76 HydrophobicContact CE1-CB 4.49Å; Y57-V76 HydrophobicContact CE1-CG1 4.48Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.36Å; I74-V76 HydrophobicContact CB-CG2 4.24Å; I74-V76 HydrophobicContact CG2-CG2 3.59Å; V76-K78 PolarHBondContact O-N 3.13Å; V76-K87 PolarHBondContact N-O 3.21Å; V76-K87 PolarHBondContact O-N 2.87Å; V76-I89 HydrophobicContact CG2-CD1 3.77Å; V76-I89 HydrophobicContact CG2-CG1 4.09Å
77N98Very high97.6Very high106 Ų10675.4 Ų75.457%0.56740%0.401SS*.EExtended strand (participates in β ladder)trans-77.9117.8174.4-71.4-18.1000110.6I84N77-I84 HydrophobicContact CB-CG2 3.76Å
78K97.6Very high97.6Very high58 Ų5880.8 Ų80.825%0.25241%0.414SS..EExtended strand (participates in β ladder)trans-115.8121.1175.6-178.8173.7177.2172.10110.1C56 Y57 V76 V80 L85 K87C56-K78 PolarHBondContact SG-NZ 2.98Å; Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 3.99Å; V76-K78 PolarHBondContact O-N 3.13Å; K78-V80 HydrophobicContact CD-CG2 4.35Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; K78-V80 PolarHBondContact O-N 3.34Å; K78-L85 PolarHBondContact N-O 2.85Å; K78-L85 PolarHBondContact O-N 3.45Å; K78-K87 HydrophobicContact CB-CD 4.25Å; K78-K87 HydrophobicContact CB-CG 4.29Å; K78-K87 HydrophobicContact CD-CD 3.99Å
79K97.5Very high97.7Very high156 Ų15678.4 Ų78.468%0.67840%0.398SS*.EExtended strand (participates in β ladder)trans-70.5122.9167.8-169.2174.3-178.5177.70109.4K81 K83 I84K79-K81 WeakPolarHBondContact CE-O 3.32Å; K79-K81 WeakPolarHBondContact CG-O 3.42Å; K79-K83 CarbonylContact C-O 3.59Å; K79-K83 WeakPolarHBondContact CA-O 3.45Å; K79-I84 HydrophobicContact CB-CG1 4.47Å
80V97.1Very high97.7Very high50 Ų5075.5 Ų75.530%0.30339%0.388SS..EExtended strand (participates in β ladder)trans-121.7100.4174.4-177.70000107K78 G82 K83 L85K78-V80 HydrophobicContact CD-CG2 4.35Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; K78-V80 PolarHBondContact O-N 3.34Å; V80-G82 PolarHBondContact O-N 2.91Å; V80-G82 VanDerWaalsContact O-N 3.16Å; V80-K83 PolarHBondContact N-O 2.83Å; V80-K83 PolarHBondContact O-N 2.83Å; V80-L85 HydrophobicContact CB-CD1 4.25Å; V80-L85 HydrophobicContact CG2-CD1 3.97Å
81K95.6Very high97.8Very high197 Ų19771 Ų7186%0.85737%0.368SS*.THydrogen-bonded Turntrans54-115-171.5-54.9-176.9-177.4-175.80110.4K79K79-K81 WeakPolarHBondContact CE-O 3.32Å; K79-K81 WeakPolarHBondContact CG-O 3.42Å
82G96.6Very high97.8Very high80 Ų8073 Ų7383%0.82537%0.371SS*.THydrogen-bonded Turntrans-83-11.5-177.300000116.3V80V80-G82 PolarHBondContact O-N 2.91Å; V80-G82 VanDerWaalsContact O-N 3.16Å
83K97.7Very high97.8Very high133 Ų13374.3 Ų74.358%0.57838%0.378SS*.EExtended strand (participates in β ladder)trans-119.7148.9-173.962.8-175.8178.9-1770113.7K79 V80 L85K79-K83 CarbonylContact C-O 3.59Å; K79-K83 WeakPolarHBondContact CA-O 3.45Å; V80-K83 PolarHBondContact N-O 2.83Å; V80-K83 PolarHBondContact O-N 2.83Å; K83-L85 HydrophobicContact CD-CD2 4Å; K83-L85 HydrophobicContact CG-CD2 4.15Å; K83-L85 HydrophobicContact CG-CG 4.29Å
84I97.9Very high97.7Very high117 Ų11775 Ų7560%0.638%0.381SS*.EExtended strand (participates in β ladder)trans-98.5122.2173.4-58.7177.6000108.2N77 K79N77-I84 HydrophobicContact CB-CG2 3.76Å; K79-I84 HydrophobicContact CB-CG1 4.47Å
85L97.8Very high97.7Very high61 Ų6175.1 Ų75.132%0.31938%0.381SS..EExtended strand (participates in β ladder)trans-111.4131179.6-59.3177.8000109.9K78 V80 K83 K87K78-L85 PolarHBondContact N-O 2.85Å; K78-L85 PolarHBondContact O-N 3.45Å; V80-L85 HydrophobicContact CB-CD1 4.25Å; V80-L85 HydrophobicContact CG2-CD1 3.97Å; K83-L85 HydrophobicContact CD-CD2 4Å; K83-L85 HydrophobicContact CG-CD2 4.15Å; K83-L85 HydrophobicContact CG-CG 4.29Å; L85-K87 HydrophobicContact CB-CG 4.33Å; L85-K87 PolarHBondContact O-N 2.93Å
86A97.8Very high97.7Very high70 Ų7072.7 Ų72.758%0.57937%0.369SS*.EExtended strand (participates in β ladder)trans-75.610416900000109I75I75-A86 HydrophobicContact CG2-CB 3.91Å
87K98.2Very high97.6Very high73 Ų7376.9 Ų76.932%0.31739%0.387SS..EExtended strand (participates in β ladder)trans-100.8135.1-179.2-65-155.6175.1-147.80110.8Y57 I75 V76 K78 L85Y57-K87 WeakPolarHBondContact OH-CD 3.49Å; I75-K87 CarbonylContact C-O 3.58Å; I75-K87 WeakPolarHBondContact CA-O 3.38Å; V76-K87 PolarHBondContact N-O 3.21Å; V76-K87 PolarHBondContact O-N 2.87Å; K78-K87 HydrophobicContact CB-CD 4.25Å; K78-K87 HydrophobicContact CB-CG 4.29Å; K78-K87 HydrophobicContact CD-CD 3.99Å; L85-K87 HydrophobicContact CB-CG 4.33Å; L85-K87 PolarHBondContact O-N 2.93Å
88R98.3Very high97.6Very high179 Ų17974.9 Ų74.968%0.67537%0.374SS*.EExtended strand (participates in β ladder)trans-87.6129.2170.7-68.7175.2-176.4178.41.6109.3Y65 I74 I75Y65-R88 HydrophobicContact CD1-CG 4.28Å; Y65-R88 HydrophobicContact CE1-CB 3.89Å; Y65-R88 HydrophobicContact CE1-CG 3.96Å; I74-R88 WeakPolarHBondContact O-CA 3.42Å; I75-R88 HydrophobicContact CG1-CG 3.89Å
89I97.9Very high97.5Very high24 Ų2472.5 Ų72.512%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-134.3145.817658.9172.3000109.8I42 Y57 G73 I74 V76 V91I42-I89 HydrophobicContact CD1-CD1 3.77Å; Y57-I89 HydrophobicContact CD1-CD1 4.27Å; Y57-I89 HydrophobicContact CD2-CD1 4.03Å; Y57-I89 HydrophobicContact CD2-CG2 4.34Å; Y57-I89 HydrophobicContact CE1-CG2 4.44Å; Y57-I89 HydrophobicContact CE2-CD1 4.44Å; Y57-I89 HydrophobicContact CE2-CG2 3.74Å; Y57-I89 HydrophobicContact CG-CD1 3.92Å; G73-I89 CarbonylContact C-O 3.6Å; G73-I89 WeakPolarHBondContact CA-O 3.43Å; I74-I89 HydrophobicContact CB-CG1 4.24Å; I74-I89 PolarHBondContact N-O 3.32Å; I74-I89 PolarHBondContact O-N 3.29Å; V76-I89 HydrophobicContact CG2-CD1 3.77Å; V76-I89 HydrophobicContact CG2-CG1 4.09Å; I89-V91 HydrophobicContact CB-CG2 4.39Å; I89-V91 HydrophobicContact CD1-CG2 3.65Å; I89-V91 HydrophobicContact CG1-CG2 3.93Å
90N98.2Very high97.5Very high111 Ų11173.4 Ų73.459%0.59437%0.369SS*.EExtended strand (participates in β ladder)trans-101122.5172.3-64.5-30.6000108.2Y65Y65-N90 PolarHBondContact OH-OD1 2.89Å
91V98.2Very high97.3Very high1 Ų174.5 Ų74.51%0.00638%0.379CS..EExtended strand (participates in β ladder)trans-132.8136.5-175.9-179.20000108.4P53 A71 V72 I74 I89 H95 I96P53-V91 HydrophobicContact CB-CG1 4.37Å; P53-V91 HydrophobicContact CB-CG2 4.08Å; P53-V91 HydrophobicContact CG-CG1 4.32Å; A71-V91 WeakPolarHBondContact CA-O 3.33Å; A71-V91 WeakPolarHBondContact CB-O 3.46Å; V72-V91 PolarHBondContact N-O 2.91Å; V72-V91 PolarHBondContact O-N 3.29Å; I74-V91 HydrophobicContact CD1-CB 4.26Å; I74-V91 HydrophobicContact CD1-CG2 4.48Å; I89-V91 HydrophobicContact CB-CG2 4.39Å; I89-V91 HydrophobicContact CD1-CG2 3.65Å; I89-V91 HydrophobicContact CG1-CG2 3.93Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; V91-I96 HydrophobicContact CB-CD1 3.96Å; V91-I96 HydrophobicContact CB-CG1 4.24Å; V91-I96 HydrophobicContact CG1-CD1 3.94Å; V91-I96 HydrophobicContact CG1-CG1 3.75Å; V91-I96 WeakPolarHBondContact O-CD1 3.49Å
92R98.1Very high97.3Very high60 Ų6070.2 Ų70.223%0.22636%0.357CS..EExtended strand (participates in β ladder)trans-72.4156.6176-83.7-166161.7-163.91.4112.8Q50 G51 A71 E94 H95 I96Q50-R92 WeakPolarHBondContact O-CD 3.37Å; Q50-R92 VanDerWaalsContact OE1-CZ 3.31Å; G51-R92 PolarHBondContact O-N 3.39Å; A71-R92 HydrophobicContact CB-CG 4.2Å; R92-E94 VanDerWaalsContact C-N 3.29Å; R92-E94 WeakPolarHBondContact CB-OE2 3.44Å; R92-E94 IonicContact NH1-OE1 3.99Å; R92-E94 PolarHBondContact O-N 3.02Å; R92-H95 PolarHBondContact O-N 2.89Å; R92-H95 VanDerWaalsContact O-N 3.12Å; R92-I96 WeakPolarHBondContact O-CD1 3.18Å; R92-I96 WeakPolarHBondContact O-CG1 3.44Å
93I97.4Very high97.2Very high28 Ų2870 Ų7014%0.14434%0.338CS..G310 helixtrans-61.2-29.9-172.458.3-179.2000114.3Y30 Y34 V72 H95 I96Y30-I93 HydrophobicContact CD1-CD1 4.1Å; Y30-I93 HydrophobicContact CD1-CG1 4.45Å; Y34-I93 HydrophobicContact CD2-CG2 4.17Å; Y34-I93 HydrophobicContact CE2-CB 4.3Å; Y34-I93 HydrophobicContact CE2-CG2 4.08Å; V72-I93 HydrophobicContact CG2-CG2 4Å; I93-H95 PolarHBondContact O-N 2.93Å; I93-I96 PolarHBondContact O-N 3.08Å; I93-I96 VanDerWaalsContact O-N 3.14Å
94E97.7Very high97.1Very high16 Ų1667 Ų678%0.07533%0.334CS..G310 helixtrans-65.9-21.3179-50.692.8143.500112.3Y30 M45 V48 R92Y30-E94 HydrophobicContact CD1-CG 4.16Å; Y30-E94 HydrophobicContact CE1-CG 3.46Å; Y30-E94 VanDerWaalsContact CE1-CG 3.46Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.44Å; M45-E94 HydrophobicContact SD-CB 3.97Å; M45-E94 VanDerWaalsContact SD-O 3.37Å; V48-E94 HydrophobicContact CG2-CB 4.3Å; V48-E94 HydrophobicContact CG2-CG 3.99Å; R92-E94 VanDerWaalsContact C-N 3.29Å; R92-E94 WeakPolarHBondContact CB-OE2 3.44Å; R92-E94 IonicContact NH1-OE1 3.99Å; R92-E94 PolarHBondContact O-N 3.02Å
95H98Very high97Very high1 Ų165.2 Ų65.21%0.00532%0.321CS..G310 helixtrans-97.66.4-179.5-56.4-42000113.4K43 M45 V48 G51 M52 P53 V91 R92 I93K43-H95 CarbonylContact C-O 3.58Å; K43-H95 PolarHBondContact N-O 3.11Å; K43-H95 CarbonylContact O-C 3.52Å; K43-H95 WeakPolarHBondContact O-CA 3.47Å; M45-H95 WeakPolarHBondContact CG-ND1 3.46Å; M45-H95 PolarHBondContact N-ND1 3.23Å; M45-H95 PolarHBondContact O-CE1 2.89Å; M45-H95 VanDerWaalsContact O-CE1 3.28Å; V48-H95 PolarHBondContact O-CE1 3.17Å; V48-H95 PolarHBondContact O-NE2 2.97Å; G51-H95 PolarHBondContact O-CD2 3.48Å; M52-H95 WeakPolarHBondContact CA-NE2 3.43Å; P53-H95 HydrophobicContact CG-CB 4.32Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; R92-H95 PolarHBondContact O-N 2.89Å; R92-H95 VanDerWaalsContact O-N 3.12Å; I93-H95 PolarHBondContact O-N 2.93Å
96I97.5Very high97Very high5 Ų565.8 Ų65.83%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-126.4148-172.1-57.1164.2000109.6Y34 V40 D41 V72 I74 V91 R92 I93Y34-I96 HydrophobicContact CE1-CG2 3.76Å; Y34-I96 PolarHBondContact OH-O 3.34Å; Y34-I96 VanDerWaalsContact OH-O 3.06Å; V40-I96 HydrophobicContact CB-CG2 3.5Å; V40-I96 HydrophobicContact CG1-CG2 3.9Å; V40-I96 HydrophobicContact CG2-CG2 3.88Å; D41-I96 WeakPolarHBondContact O-CA 3.32Å; V72-I96 HydrophobicContact CB-CD1 3.75Å; V72-I96 HydrophobicContact CG2-CD1 4.13Å; I74-I96 HydrophobicContact CD1-CD1 3.66Å; I74-I96 HydrophobicContact CD1-CG1 3.88Å; I74-I96 HydrophobicContact CD1-CG2 4.44Å; V91-I96 HydrophobicContact CB-CD1 3.96Å; V91-I96 HydrophobicContact CB-CG1 4.24Å; V91-I96 HydrophobicContact CG1-CD1 3.94Å; V91-I96 HydrophobicContact CG1-CG1 3.75Å; V91-I96 WeakPolarHBondContact O-CD1 3.49Å; R92-I96 WeakPolarHBondContact O-CD1 3.18Å; R92-I96 WeakPolarHBondContact O-CG1 3.44Å; I93-I96 PolarHBondContact O-N 3.08Å; I93-I96 VanDerWaalsContact O-N 3.14Å
97K97Very high96.9Very high88 Ų8869 Ų6938%0.38333%0.327SS..EExtended strand (participates in β ladder)trans-140.6151.8169.959.4178.6-175.8165.90110.4V40 D41V40-K97 CarbonylContact C-O 3.43Å; V40-K97 VanDerWaalsContact CA-O 3.32Å; V40-K97 WeakPolarHBondContact CA-O 3.45Å; D41-K97 HydrophobicContact CB-CD 4.35Å; D41-K97 VanDerWaalsContact CB-CE 3.49Å; D41-K97 HydrophobicContact CB-CG 3.82Å; D41-K97 PolarHBondContact N-O 3.4Å; D41-K97 PolarHBondContact O-N 2.9Å; D41-K97 WeakPolarHBondContact OD2-CE 3.47Å; D41-K97 IonicContact OD2-NZ 3.7Å
98H97.3Very high96.9Very high64 Ų6468.7 Ų68.730%0.29632%0.324SS..EExtended strand (participates in β ladder)trans-63.1139.3170.2-73.994.9000110.6I33 Y34 D38I33-H98 PolarHBondContact O-CE1 2.68Å; I33-H98 PolarHBondContact O-NE2 2.85Å; Y34-H98 AromaticContact CD1-CE1 3.47Å; Y34-H98 VanDerWaalsContact CD1-CE1 3.47Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.2Å; Y34-H98 AromaticContact CD1-NE2 3.44Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.14Å; Y34-H98 AromaticContact CE1-CE1 3.37Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.12Å; Y34-H98 AromaticContact CE1-ND1 3.74Å; Y34-H98 AromaticContact CE1-NE2 3.68Å; Y34-H98 AromaticContact CZ-CE1 3.97Å; D38-H98 IonicContact OD2-NE2 2.66Å
99S96.7Very high96.8Very high9 Ų963 Ų636%0.06331%0.309CS..  trans-86.9117.3177.6-164.10000110.6I39 D41 S101 R102I39-S99 PolarHBondContact O-N 3.36Å; I39-S99 VanDerWaalsContact O-N 3.08Å; D41-S99 WeakPolarHBondContact OD1-CB 3.49Å; D41-S99 PolarHBondContact OD1-OG 2.83Å; S99-S101 PolarHBondContact O-N 2.96Å; S99-S101 VanDerWaalsContact O-N 3.1Å; S99-S101 PolarHBondContact OG-OG 3.1Å; S99-R102 PolarHBondContact O-N 3.34Å
100K96Very high96.8Very high174 Ų17469.4 Ų69.476%0.75734%0.336SS*.Hα-helixtrans-64.2-14.9177.6-64.5-173.3177.2-172.80113.7R102 D103 S104K100-R102 VanDerWaalsContact C-N 3.26Å; K100-R102 PolarHBondContact O-N 2.65Å; K100-D103 PolarHBondContact O-N 3.2Å; K100-S104 PolarHBondContact O-N 2.82Å
101S94Very high96.8Very high74 Ų7467.9 Ų67.952%0.51733%0.326SS..Hα-helixtrans-62-33.5177.863.30000112.5S99 S104S99-S101 PolarHBondContact O-N 2.96Å; S99-S101 VanDerWaalsContact O-N 3.1Å; S99-S101 PolarHBondContact OG-OG 3.1Å; S101-S104 PolarHBondContact O-OG 3.08Å
102R95.4Very high96.8Very high106 Ų10669.7 Ų69.740%0.434%0.335SS..Hα-helixtrans-78.9-35.9177.9-173.556.1176.7-177.52.5111.8I39 S99 K100 F105 L106I39-R102 HydrophobicContact CB-CB 4.41Å; I39-R102 HydrophobicContact CD1-CB 4.17Å; I39-R102 HydrophobicContact CD1-CG 4.2Å; S99-R102 PolarHBondContact O-N 3.34Å; K100-R102 VanDerWaalsContact C-N 3.26Å; K100-R102 PolarHBondContact O-N 2.65Å; R102-F105 VanDerWaalsContact NH1-CD1 3.25Å; R102-F105 WeakPolarHBondContact O-CB 3.49Å; R102-F105 PolarHBondContact O-N 3.31Å; R102-L106 HydrophobicContact CG-CD1 4.05Å; R102-L106 HydrophobicContact CG-CG 4.25Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.81Å
103D94.7Very high96.7Very high77 Ų7772.7 Ų72.741%0.41235%0.352SS..Hα-helixtrans-61.5-47.8-178.1-60.2-24.7000111.5K100 F105 L106 Q107K100-D103 PolarHBondContact O-N 3.2Å; D103-F105 VanDerWaalsContact C-N 3.29Å; D103-F105 PolarHBondContact O-N 3.4Å; D103-L106 PolarHBondContact O-N 2.8Å; D103-Q107 WeakPolarHBondContact O-CG 3.5Å; D103-Q107 PolarHBondContact O-N 3.39Å
104S94.9Very high96.7Very high70 Ų7078.3 Ų78.349%0.4937%0.371SS..Hα-helixtrans-63-35.9177.8650000112.5K100 S101 R108K100-S104 PolarHBondContact O-N 2.82Å; S101-S104 PolarHBondContact O-OG 3.08Å; S104-R108 WeakPolarHBondContact O-CB 3.43Å; S104-R108 PolarHBondContact O-N 2.75Å; S104-R108 VanDerWaalsContact O-N 3.13Å
105F96.4Very high96.6Very high78 Ų7881.2 Ų81.234%0.34238%0.383SS..Hα-helixtrans-64.6-47173.3173.5-94.8000111.6R102 D103 R108 V109R102-F105 VanDerWaalsContact NH1-CD1 3.25Å; R102-F105 WeakPolarHBondContact O-CB 3.49Å; R102-F105 PolarHBondContact O-N 3.31Å; D103-F105 VanDerWaalsContact C-N 3.29Å; D103-F105 PolarHBondContact O-N 3.4Å; F105-R108 PolarHBondContact O-N 3.34Å; F105-V109 HydrophobicContact CD1-CG2 4.11Å; F105-V109 HydrophobicContact CE1-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 4.06Å; F105-V109 HydrophobicContact CZ-CG2 3.57Å; F105-V109 WeakPolarHBondContact O-CG2 3.38Å; F105-V109 PolarHBondContact O-N 3.41Å
106L96.3Very high96.6Very high73 Ų7387.2 Ų87.238%0.38241%0.41SS..Hα-helixtrans-65.3-39.9-179.6-70.4175.3000112.3R102 D103 R108 V109 K110R102-L106 HydrophobicContact CG-CD1 4.05Å; R102-L106 HydrophobicContact CG-CG 4.25Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.81Å; D103-L106 PolarHBondContact O-N 2.8Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.08Å; L106-V109 PolarHBondContact O-N 2.82Å; L106-K110 WeakPolarHBondContact O-CG 3.37Å; L106-K110 PolarHBondContact O-N 3.48Å; L106-K110 VanDerWaalsContact O-N 3.09Å
107Q96.9Very high96.6Very high138 Ų13893.6 Ų93.665%0.64544%0.437SS*.Hα-helixtrans-58.3-46.7173.2-74.1173.9-14.200111D103 V109 K110 E111D103-Q107 WeakPolarHBondContact O-CG 3.5Å; D103-Q107 PolarHBondContact O-N 3.39Å; Q107-V109 PolarHBondContact O-N 2.99Å; Q107-K110 PolarHBondContact O-N 3.43Å; Q107-E111 PolarHBondContact O-N 2.96Å
108R97.1Very high96.6Very high67 Ų6793.4 Ų93.425%0.25344%0.437SS..Hα-helixtrans-65.3-36.9177.4-175.6168.760.6112.41.3113.4S104 F105 L106 E111 N112S104-R108 WeakPolarHBondContact O-CB 3.43Å; S104-R108 PolarHBondContact O-N 2.75Å; S104-R108 VanDerWaalsContact O-N 3.13Å; F105-R108 PolarHBondContact O-N 3.34Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-R108 PolarHBondContact O-N 3.08Å; R108-E111 PolarHBondContact O-N 3.18Å; R108-N112 VanDerWaalsContact O-CB 3.3Å; R108-N112 WeakPolarHBondContact O-CB 3.49Å; R108-N112 VanDerWaalsContact O-CG 3.26Å; R108-N112 PolarHBondContact O-N 3.12Å
109V97.8Very high96.5Very high58 Ų5891 Ų9135%0.35243%0.429SS..Hα-helixtrans-60.4-47.7174.6168.50000110.2F105 L106 Q107 E111 N112 E113F105-V109 HydrophobicContact CD1-CG2 4.11Å; F105-V109 HydrophobicContact CE1-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 4.06Å; F105-V109 HydrophobicContact CZ-CG2 3.57Å; F105-V109 WeakPolarHBondContact O-CG2 3.38Å; F105-V109 PolarHBondContact O-N 3.41Å; L106-V109 PolarHBondContact O-N 2.82Å; Q107-V109 PolarHBondContact O-N 2.99Å; V109-E111 PolarHBondContact O-N 2.7Å; V109-N112 PolarHBondContact O-N 3.3Å; V109-E113 PolarHBondContact O-N 2.88Å
110K97.5Very high96.5Very high160 Ų16099.3 Ų99.370%0.69646%0.464SS*.Hα-helixtrans-61.4-43.7177.5-70.2178.6176.7-173.90112.2L106 Q107 E113 R114L106-K110 WeakPolarHBondContact O-CG 3.37Å; L106-K110 PolarHBondContact O-N 3.48Å; L106-K110 VanDerWaalsContact O-N 3.09Å; Q107-K110 PolarHBondContact O-N 3.43Å; K110-E113 PolarHBondContact O-N 3.32Å; K110-R114 PolarHBondContact O-N 3.25Å; K110-R114 VanDerWaalsContact O-N 3.1Å
111E97.4Very high96.6Very high79 Ų7997.5 Ų97.537%0.36946%0.458SS..Hα-helixtrans-63.3-43177.9-169.6-167.5158.600112Q107 R108 V109 R114 K115Q107-E111 PolarHBondContact O-N 2.96Å; R108-E111 PolarHBondContact O-N 3.18Å; V109-E111 PolarHBondContact O-N 2.7Å; E111-R114 PolarHBondContact O-N 3.26Å; E111-K115 HydrophobicContact CG-CD 4.44Å; E111-K115 WeakPolarHBondContact O-CG 3.49Å; E111-K115 PolarHBondContact O-N 2.82Å; E111-K115 VanDerWaalsContact OE1-CE 3.27Å; E111-K115 WeakPolarHBondContact OE1-CE 3.49Å; E111-K115 IonicContact OE1-NZ 3.89Å; E111-K115 PolarHBondContact OE1-NZ 3.4Å
112N97.9Very high96.7Very high39 Ų39101.3 Ų101.321%0.20947%0.465CS..Hα-helixtrans-64.7-40.3177.3-78.81.3000112R108 V109 R114 K115 K116 L128R108-N112 VanDerWaalsContact O-CB 3.3Å; R108-N112 WeakPolarHBondContact O-CB 3.49Å; R108-N112 VanDerWaalsContact O-CG 3.26Å; R108-N112 PolarHBondContact O-N 3.12Å; V109-N112 PolarHBondContact O-N 3.3Å; N112-R114 VanDerWaalsContact C-N 3.32Å; N112-R114 PolarHBondContact O-N 3.12Å; N112-K115 PolarHBondContact O-N 3.05Å; N112-K116 VanDerWaalsContact O-CB 3.28Å; N112-K116 WeakPolarHBondContact O-CB 3.43Å; N112-K116 PolarHBondContact O-N 3.18Å; N112-L128 HydrophobicContact CB-CD2 4.2Å
113E97.3Very high96.7Very high123 Ų12399.6 Ų99.658%0.57548%0.481SS*.Hα-helixtrans-60.3-44.2175.9-156.774-146.900110.9V109 K110 K116 K117V109-E113 PolarHBondContact O-N 2.88Å; K110-E113 PolarHBondContact O-N 3.32Å; E113-K116 PolarHBondContact O-N 3.42Å; E113-K117 PolarHBondContact O-N 3.14Å
114R96.9Very high96.8Very high146 Ų146101.1 Ų101.155%0.55149%0.488SS*.Hα-helixtrans-60.6-52.3175.7-174.5-17667.4-171.2-0.4111.5K110 E111 N112 K116 K117 E118K110-R114 PolarHBondContact O-N 3.25Å; K110-R114 VanDerWaalsContact O-N 3.1Å; E111-R114 PolarHBondContact O-N 3.26Å; N112-R114 VanDerWaalsContact C-N 3.32Å; N112-R114 PolarHBondContact O-N 3.12Å; R114-K116 VanDerWaalsContact C-N 3.27Å; R114-K116 PolarHBondContact O-N 3.28Å; R114-K117 PolarHBondContact O-N 3.18Å; R114-K117 VanDerWaalsContact O-N 3.15Å; R114-E118 VanDerWaalsContact CG-OE1 3.32Å; R114-E118 WeakPolarHBondContact CG-OE1 3.29Å; R114-E118 IonicContact NE-OE1 3.84Å; R114-E118 WeakPolarHBondContact O-CG 3.34Å; R114-E118 PolarHBondContact O-N 3.05Å
115K96.6Very high96.8Very high76 Ų76107.3 Ų107.333%0.3350%0.5SS..Hα-helixtrans-58.4-39.2178.3-75176.2171.7171.60112.1E111 N112 A119 L128E111-K115 HydrophobicContact CG-CD 4.44Å; E111-K115 WeakPolarHBondContact O-CG 3.49Å; E111-K115 PolarHBondContact O-N 2.82Å; E111-K115 VanDerWaalsContact OE1-CE 3.27Å; E111-K115 WeakPolarHBondContact OE1-CE 3.49Å; E111-K115 IonicContact OE1-NZ 3.89Å; E111-K115 PolarHBondContact OE1-NZ 3.4Å; N112-K115 PolarHBondContact O-N 3.05Å; K115-A119 WeakPolarHBondContact O-CB 3.18Å; K115-A119 PolarHBondContact O-N 3.4Å; K115-L128 HydrophobicContact CB-CD2 4.09Å
116K97Very high96.8Very high128 Ų128106.3 Ų106.356%0.55750%0.501SS*.Hα-helixtrans-64.6-42.2177.7-173.3-177.8179.5-172.60111.8N112 E113 R114 K120 L128N112-K116 VanDerWaalsContact O-CB 3.28Å; N112-K116 WeakPolarHBondContact O-CB 3.43Å; N112-K116 PolarHBondContact O-N 3.18Å; E113-K116 PolarHBondContact O-N 3.42Å; R114-K116 VanDerWaalsContact C-N 3.27Å; R114-K116 PolarHBondContact O-N 3.28Å; K116-K120 WeakPolarHBondContact O-CB 3.46Å; K116-K120 PolarHBondContact O-N 3.21Å; K116-L128 HydrophobicContact CB-CD1 4.28Å
117K97.2Very high96.8Very high139 Ų139107.4 Ų107.460%0.60450%0.504SS*.Hα-helixtrans-64.5-50177.2-172.6179.8174.7-173.30111.3E113 R114 A119 K120 E121E113-K117 PolarHBondContact O-N 3.14Å; R114-K117 PolarHBondContact O-N 3.18Å; R114-K117 VanDerWaalsContact O-N 3.15Å; K117-A119 VanDerWaalsContact C-N 3.33Å; K117-A119 PolarHBondContact O-N 3.06Å; K117-K120 PolarHBondContact O-N 2.88Å; K117-E121 WeakPolarHBondContact CE-OE1 3.48Å; K117-E121 WeakPolarHBondContact O-CG 3.41Å; K117-E121 PolarHBondContact O-N 3.16Å
118E96.9Very high96.8Very high83 Ų83103.4 Ų103.439%0.38849%0.487SS..Hα-helixtrans-59.9-41.5177.7-69.7170.2-170.300112.3R114 E121 K122R114-E118 VanDerWaalsContact CG-OE1 3.32Å; R114-E118 WeakPolarHBondContact CG-OE1 3.29Å; R114-E118 IonicContact NE-OE1 3.84Å; R114-E118 WeakPolarHBondContact O-CG 3.34Å; R114-E118 PolarHBondContact O-N 3.05Å; E118-E121 PolarHBondContact O-N 3.1Å; E118-K122 WeakPolarHBondContact O-CG 3.16Å; E118-K122 PolarHBondContact O-N 3.26Å
119A96.3Very high96.7Very high15 Ų15107.9 Ų107.912%0.12451%0.508CS..Hα-helixtrans-64.1-40177.400000111.9K115 K117 K122 G123 I124 V126K115-A119 WeakPolarHBondContact O-CB 3.18Å; K115-A119 PolarHBondContact O-N 3.4Å; K117-A119 VanDerWaalsContact C-N 3.33Å; K117-A119 PolarHBondContact O-N 3.06Å; A119-K122 PolarHBondContact O-N 3.42Å; A119-G123 PolarHBondContact O-N 3.31Å; A119-I124 WeakPolarHBondContact CB-O 3.28Å; A119-I124 PolarHBondContact O-N 3.2Å; A119-V126 HydrophobicContact CB-CB 4.14Å; A119-V126 HydrophobicContact CB-CG1 3.74Å
120K96.8Very high96.7Very high182 Ų182113.9 Ų113.979%0.79152%0.524SS*.Hα-helixtrans-65.4-42.2176.1-171.9178.7-179.5-176.10112K116 K117 G123K116-K120 WeakPolarHBondContact O-CB 3.46Å; K116-K120 PolarHBondContact O-N 3.21Å; K117-K120 PolarHBondContact O-N 2.88Å; K120-G123 PolarHBondContact O-N 3.42Å
121E96.9Very high96.6Very high136 Ų136112.5 Ų112.564%0.63652%0.52SS*.Hα-helixtrans-64.9-38.3177.4-72.4169.6-173.700112.1K117 E118K117-E121 WeakPolarHBondContact CE-OE1 3.48Å; K117-E121 WeakPolarHBondContact O-CG 3.41Å; K117-E121 PolarHBondContact O-N 3.16Å; E118-E121 PolarHBondContact O-N 3.1Å
122K96.9Very high96.6Very high154 Ų154113.7 Ų113.767%0.6754%0.535SS*.Hα-helixtrans-83.7-9.9177.8-64-179.8-176.4-178.20114.4E118 A119 I124E118-K122 WeakPolarHBondContact O-CG 3.16Å; E118-K122 PolarHBondContact O-N 3.26Å; A119-K122 PolarHBondContact O-N 3.42Å; K122-I124 VanDerWaalsContact C-N 3.26Å; K122-I124 HydrophobicContact CB-CD1 3.95Å; K122-I124 HydrophobicContact CB-CG1 4.22Å; K122-I124 HydrophobicContact CD-CD1 4.4Å; K122-I124 PolarHBondContact O-N 2.96Å
123G95.3Very high96.5Very high70 Ų70116.5 Ų116.572%0.72256%0.564SS**THydrogen-bonded Turntrans68.419.2-174.200000114.8A119 K120A119-G123 PolarHBondContact O-N 3.31Å; K120-G123 PolarHBondContact O-N 3.42Å
124I96.4Very high96.5Very high109 Ų109115.7 Ų115.756%0.55957%0.569SS**  trans-99144.8-178.6-63.9163.5000109.6A119 K122A119-I124 WeakPolarHBondContact CB-O 3.28Å; A119-I124 PolarHBondContact O-N 3.2Å; K122-I124 VanDerWaalsContact C-N 3.26Å; K122-I124 HydrophobicContact CB-CD1 3.95Å; K122-I124 HydrophobicContact CB-CG1 4.22Å; K122-I124 HydrophobicContact CD-CD1 4.4Å; K122-I124 PolarHBondContact O-N 2.96Å
125W95.1Very high96.5Very high200 Ų200114.4 Ų114.476%0.75858%0.579SS**  trans-83.5137171.3-176.989.7000111.6Q127W125-Q127 HydrophobicContact CH2-CB 3.77Å; W125-Q127 HydrophobicContact CH2-CG 4.39Å; W125-Q127 HydrophobicContact CZ3-CB 3.91Å
126V96.3Very high96.5Very high57 Ų57122 Ų12235%0.34561%0.606SS.*  trans-127.9136179730000112A119 L128A119-V126 HydrophobicContact CB-CB 4.14Å; A119-V126 HydrophobicContact CB-CG1 3.74Å; V126-L128 HydrophobicContact CG1-CD2 3.9Å; V126-L128 HydrophobicContact CG1-CG 4.13Å; V126-L128 PolarHBondContact O-N 3.15Å
127Q95.9Very high96.5Very high97 Ų97124 Ų12445%0.45362%0.617SS.*  trans-81.3115.1173.9-17964.7-58.700110.8W125W125-Q127 HydrophobicContact CH2-CB 3.77Å; W125-Q127 HydrophobicContact CH2-CG 4.39Å; W125-Q127 HydrophobicContact CZ3-CB 3.91Å
128L96.4Very high96.5Very high53 Ų53122.5 Ų122.528%0.27763%0.631SS.*  trans-99.8-15-179.3-62.7175.8000113.7N112 K115 K116 V126N112-L128 HydrophobicContact CB-CD2 4.2Å; K115-L128 HydrophobicContact CB-CD2 4.09Å; K116-L128 HydrophobicContact CB-CD1 4.28Å; V126-L128 HydrophobicContact CG1-CD2 3.9Å; V126-L128 HydrophobicContact CG1-CG 4.13Å; V126-L128 PolarHBondContact O-N 3.15Å
129K96.6Very high96.5Very high161 Ų161124.9 Ų124.970%0.764%0.642SS**SBendtrans-77.9139.7179.1-67-177.2-178.5177.10109.7
130R96.1Very high96.4Very high184 Ų184133.7 Ų133.769%0.69468%0.678SS**  trans-70.5143.7172.2-65.3-177.9-63.3-175.51.5109.4
131Q95.8Very high96.3Very high131 Ų131130.7 Ų130.761%0.61268%0.675SS**  trans-107.6148.6170.3-61.4-57.1-26.900109.8
132P97.1Very high96.1Very high104 Ų104134.1 Ų134.168%0.67568%0.682SS**PPolyproline II helixtrans-62.5168.116530.2-34.5000110.2P134P132-P134 WeakPolarHBondContact O-CD 3.24Å; P132-P134 VanDerWaalsContact O-N 3.16Å
133A96.9Very high95.9Very high99 Ų99131 Ų13182%0.81868%0.676SS**PPolyproline II helixtrans-58.6120.2174.600000109.5
134P96.1Very high95.7Very high105 Ų105134.5 Ų134.568%0.68268%0.678SS**PPolyproline II helixtrans-74165.6175.532-34.5000110.5P132P132-P134 WeakPolarHBondContact O-CD 3.24Å; P132-P134 VanDerWaalsContact O-N 3.16Å
135P97.8Very high95.3Very high119 Ų119133 Ų13377%0.77369%0.69SS**PPolyproline II helixtrans-51.7146.9163.9-23.934.6000110.9E137P135-E137 PolarHBondContact O-N 3.02Å
136R96.4Very high95.2Very high235 Ų235131.7 Ų131.789%0.88769%0.69SS**PPolyproline II helixtrans-61.2134.1174.7-74.9-178.6163-176.2-5.5109.3
137E96.6Very high95Very high170 Ų170137.7 Ų137.779%0.79471%0.714SS**PPolyproline II helixtrans-68.4150.4174.3-65.2-179.5178.800110.5P135 H139P135-E137 PolarHBondContact O-N 3.02Å; E137-H139 PolarHBondContact O-N 3.37Å; E137-H139 PolarHBondContact O-ND1 2.92Å
138A96.9Very high94.9Very high109 Ų109138.5 Ų138.590%0.90173%0.727SS**PPolyproline II helixtrans-61.2129.4173.100000109.2
139H96.9Very high94.8Very high132 Ų132143.9 Ų143.961%0.61175%0.751SS**  trans-142.9154.5176.967-76.4000110.2E137E137-H139 PolarHBondContact O-N 3.37Å; E137-H139 PolarHBondContact O-ND1 2.92Å
140F95.6Very high94.7Very high200 Ų200143 Ų14388%0.87775%0.753SS**  trans-90.1131.4174.5-65.3-77.5000110
141V94.2Very high94.7Very high120 Ų120140.9 Ų140.973%0.72776%0.755SS**  trans-101.9114.6169.8-179.10000107.5
142R93.6Very high94.6Very high208 Ų208142 Ų14279%0.78576%0.76SS**  trans-93135.9176.2-65.7-175.5178.5-178.1-0.3109.7N144R142-N144 VanDerWaalsContact C-N 3.35Å
143T90.9Very high94.6Very high88 Ų88143.1 Ų143.154%0.5477%0.768SS.*  trans-79.8-16179.346.50000113.4G145 K146T143-G145 PolarHBondContact O-N 3.17Å; T143-G145 VanDerWaalsContact O-N 3.1Å; T143-K146 VanDerWaalsContact CB-O 3.29Å; T143-K146 WeakPolarHBondContact CB-O 3.13Å; T143-K146 PolarHBondContact O-N 2.98Å
144N91.6Very high94.4Very high143 Ų143145.7 Ų145.777%0.76577%0.766SS**THydrogen-bonded Turntrans45.740.4-178.3-63.7-15.2000113.1R142 K146R142-N144 VanDerWaalsContact C-N 3.35Å; N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 3.03Å
145G88.9Confident94.3Very high79 Ų79146 Ų14681%0.81477%0.768SS**THydrogen-bonded Turntrans81-0.8179.300000115.7T143T143-G145 PolarHBondContact O-N 3.17Å; T143-G145 VanDerWaalsContact O-N 3.1Å
146K92.2Very high94Very high172 Ų172149.9 Ų149.975%0.74877%0.769SS**PPolyproline II helixtrans-92.2126.2173-66-174.9178.2-175.20110.9T143 N144T143-K146 VanDerWaalsContact CB-O 3.29Å; T143-K146 WeakPolarHBondContact CB-O 3.13Å; T143-K146 PolarHBondContact O-N 2.98Å; N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 3.03Å
147E92.1Very high93.7Very high182 Ų182145.2 Ų145.285%0.8576%0.757SS**PPolyproline II helixtrans-70.5143.5173.8-64.7-178.1171.700110.5E149E147-E149 PolarHBondContact O-N 2.8Å
148P94.7Very high93Very high114 Ų114144.6 Ų144.674%0.7475%0.752SS**PPolyproline II helixtrans-58.1131.4170.4-22.233.5000110.6L150P148-L150 PolarHBondContact O-N 2.92Å
149E93.6Very high92.5Very high167 Ų167146.6 Ų146.678%0.7874%0.744SS**PPolyproline II helixtrans-70.1126.9178.4-170.6176178.900110.4E147 L151E147-E149 PolarHBondContact O-N 2.8Å; E149-L151 HydrophobicContact CG-CD2 4.23Å; E149-L151 PolarHBondContact O-N 3.04Å
150L94.9Very high91.5Very high141 Ų141148 Ų14874%0.73878%0.779SS**  trans-77.4115.2171.7-178.766.6000108.4P148P148-L150 PolarHBondContact O-N 2.92Å
151L95.8Very high91.3Very high140 Ų140145.4 Ų145.473%0.73377%0.774SS**  trans-94.2129.6175.1-61.3178000109.7E149E149-L151 HydrophobicContact CG-CD2 4.23Å; E149-L151 PolarHBondContact O-N 3.04Å
152E94.8Very high91.1Very high154 Ų154146.7 Ų146.772%0.7278%0.776SS**  trans-109.9146.1176.1-66.3-174.8172.800111.2I154E152-I154 PolarHBondContact O-N 3.07Å
153P95.6Very high91Very high129 Ų129143.3 Ų143.384%0.83878%0.776SS**PPolyproline II helixtrans-59.3129.8170.9-20.932.6000110.9
154I94.1Very high91Very high153 Ų153146.6 Ų146.679%0.78579%0.79SS**PPolyproline II helixtrans-67.9139.4175.9-55172.6000108.7E152E152-I154 PolarHBondContact O-N 3.07Å
155P93.5Very high91Very high111 Ų111146.8 Ų146.872%0.72179%0.791SS**PPolyproline II helixtrans-60.815217425-34.6000111.7E157P155-E157 PolarHBondContact O-N 3.44Å
156Y91.4Very high91.1Very high200 Ų200151.3 Ų151.378%0.78479%0.79SS**PPolyproline II helixtrans-62.2125.7175.5173.4-96.6000110.6F158Y156-F158 HydrophobicContact CE1-CB 4.41Å
157E89.4Confident91Very high138 Ų138149.9 Ų149.965%0.64579%0.793SS**  trans-129.6133.6171.8-171178.2-175.900108.8P155 M159P155-E157 PolarHBondContact O-N 3.44Å; E157-M159 PolarHBondContact O-N 3.45Å; E157-M159 WeakPolarHBondContact OE2-CE 3.29Å
158F82.9Confident91Very high157 Ų157147.4 Ų147.469%0.68979%0.788SS**  trans-85.7107.5175.3-175-97.9000109.4Y156 A160Y156-F158 HydrophobicContact CE1-CB 4.41Å; F158-A160 HydrophobicContact CE1-CB 4.23Å
159M85.4Confident90.6Very high150 Ų150150.2 Ų150.274%0.73979%0.792SS**  trans-102.1124.9173-64.9-170.3-179.600110E157E157-M159 PolarHBondContact O-N 3.45Å; E157-M159 WeakPolarHBondContact OE2-CE 3.29Å
160A76.3Confident90.4Very high162 Ų162148.6 Ų148.6100%1.33979%0.794SS**  trans-99.90174.900000111.8F158F158-A160 HydrophobicContact CE1-CB 4.23Å

Retrieved 160 of 160 residues in 65.9 ms (Link to these results)

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