A0A060XSL9_ONCMY Loading...

Large ribosomal subunit protein eL21

AlphaFold DB , UniProt , Accession A0A060XSL9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rpl21, 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
1M64.3Low92.6Very high246 Ų246126.4 Ų126.4100%1.21265%0.654SS**  0122.40-108-179.1-101.700110.3
2T90.6Very high92.9Very high144 Ų144132.6 Ų132.688%0.88366%0.663SS**PPolyproline II helixtrans-88.8134.5176.943.20000111.7
3N93.1Very high93.2Very high123 Ų123136.1 Ų136.166%0.65867%0.666SS**PPolyproline II helixtrans-69.8145.3176.2-70.1-48.4000112.4R9N3-R9 VanDerWaalsContact CB-NH1 3.3Å
4T96Very high93.4Very high102 Ų102130.4 Ų130.463%0.62664%0.638SS**PPolyproline II helixtrans-60.1153.7176.561.50000112.4R9T4-R9 WeakPolarHBondContact O-CD 3.45Å; T4-R9 PolarHBondContact O-NH1 3.46Å
5R95.4Very high93.6Very high246 Ų246122.2 Ų122.293%0.92860%0.598SS**  trans-10223.8-176.3-63.3-178-177.9171.81.8114.2
6G96.8Very high93.8Very high40 Ų40118.6 Ų118.641%0.41259%0.589SS.*  trans-63141.3-177.600000114R8 R9G6-R8 PolarHBondContact O-N 3.47Å; G6-R8 VanDerWaalsContact O-N 3.14Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.06Å; G6-R9 VanDerWaalsContact O-N 3.11Å
7K96.3Very high93.9Very high176 Ų176115.9 Ų115.977%0.76557%0.57SS**THydrogen-bonded Turntrans-56-32.3-178.3-65.4179.2-178.3173.10113.4
8R96.1Very high94Very high117 Ų117113.1 Ų113.144%0.44257%0.568SS.*THydrogen-bonded Turntrans-111.219.5-178.7-59.8-173.176.7176.24113.8G6 G10 T11G6-R8 PolarHBondContact O-N 3.47Å; G6-R8 VanDerWaalsContact O-N 3.14Å; R8-G10 PolarHBondContact O-N 3.31Å; R8-T11 HydrophobicContact CB-CG2 4.48Å; R8-T11 PolarHBondContact O-N 2.92Å; R8-T11 PolarHBondContact O-OG1 3.39Å
9R97Very high94.2Very high107 Ų107115.7 Ų115.740%0.40458%0.576SS.*THydrogen-bonded Turntrans-59.7129.7174.2-173.6-168.985.8-162.95.6110.2N3 T4 G6 K55N3-R9 VanDerWaalsContact CB-NH1 3.3Å; T4-R9 WeakPolarHBondContact O-CD 3.45Å; T4-R9 PolarHBondContact O-NH1 3.46Å; G6-R9 WeakPolarHBondContact O-CB 3.48Å; G6-R9 PolarHBondContact O-N 3.06Å; G6-R9 VanDerWaalsContact O-N 3.11Å; R9-K55 PolarHBondContact O-NZ 3.26Å
10G96.2Very high94.3Very high77 Ų77120.1 Ų120.179%0.79459%0.586SS**THydrogen-bonded Turntrans71.524.9174.900000114.5R8R8-G10 PolarHBondContact O-N 3.31Å
11T97.3Very high94.4Very high12 Ų12120.9 Ų120.97%0.07459%0.586CS.*  trans-104.720.1179.871.20000113.6R8 Y13 M14 F15 K55R8-T11 HydrophobicContact CB-CG2 4.48Å; R8-T11 PolarHBondContact O-N 2.92Å; R8-T11 PolarHBondContact O-OG1 3.39Å; T11-Y13 PolarHBondContact O-N 3.01Å; T11-M14 HydrophobicContact CG2-CE 3.56Å; T11-M14 PolarHBondContact O-N 3.25Å; T11-F15 VanDerWaalsContact CB-CD2 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.96Å; T11-F15 HydrophobicContact CG2-CE2 3.83Å; T11-F15 PolarHBondContact O-N 3.03Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.24Å; T11-K55 HydrophobicContact CG2-CB 3.85Å; T11-K55 HydrophobicContact CG2-CD 3.88Å; T11-K55 HydrophobicContact CG2-CG 4.4Å
12R95.9Very high95.8Very high201 Ų201115.4 Ų115.476%0.75856%0.557SS**THydrogen-bonded Turntrans-52.8-52.9-175-173.7-179.1-173.61792.7111.8S16R12-S16 WeakPolarHBondContact O-CB 3.42Å
13Y96.8Very high96Very high178 Ų178110.4 Ų110.470%0.69854%0.535SS*.THydrogen-bonded Turntrans-91.8-26.8179.2-54.5-68.3000113.3T11 F15 S16T11-Y13 PolarHBondContact O-N 3.01Å; Y13-F15 PolarHBondContact O-N 3.27Å; Y13-S16 PolarHBondContact O-N 3.34Å; Y13-S16 PolarHBondContact O-OG 3.03Å
14M96.5Very high96.1Very high56 Ų56110.5 Ų110.528%0.27654%0.542SS..THydrogen-bonded Turntrans-70.1-33.7-174.6-171.4-169.472.900113.2T11 K55 H58T11-M14 HydrophobicContact CG2-CE 3.56Å; T11-M14 PolarHBondContact O-N 3.25Å; M14-K55 HydrophobicContact CE-CB 3.25Å; M14-K55 HydrophobicContact SD-CB 4.03Å; M14-H58 HydrophobicContact CE-CB 4.21Å; M14-H58 HydrophobicContact CG-CB 4.28Å; M14-H58 PolarHBondContact O-CE1 2.87Å; M14-H58 VanDerWaalsContact O-CE1 3.29Å; M14-H58 HydrophobicContact SD-CB 3.79Å
15F96.6Very high96.1Very high8 Ų8106.5 Ų106.54%0.03552%0.516CS..THydrogen-bonded Turntrans-106.39.1174.9-64.2-37.1000112.9T11 Y13 G46 M52 P53 K55 H58T11-F15 VanDerWaalsContact CB-CD2 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.96Å; T11-F15 HydrophobicContact CG2-CE2 3.83Å; T11-F15 PolarHBondContact O-N 3.03Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.24Å; Y13-F15 PolarHBondContact O-N 3.27Å; F15-G46 WeakPolarHBondContact O-CA 3.25Å; F15-G46 PolarHBondContact O-N 2.93Å; F15-G46 VanDerWaalsContact O-N 3.14Å; F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.83Å; F15-M52 HydrophobicContact CE1-SD 4.44Å; F15-M52 HydrophobicContact CE2-SD 3.81Å; F15-M52 HydrophobicContact CG-SD 4.15Å; F15-M52 HydrophobicContact CZ-CG 4.35Å; F15-M52 HydrophobicContact CZ-SD 4.12Å; F15-P53 WeakPolarHBondContact CZ-O 3.46Å; F15-K55 HydrophobicContact CZ-CB 4.44Å; F15-H58 AromaticContact CD1-ND1 3.98Å; F15-H58 AromaticContact CE1-ND1 3.73Å
16S95.9Very high96.1Very high65 Ų6598.5 Ų98.546%0.45550%0.496SS..SBendtrans-69.9160.4173.966.60000110.8R12 Y13R12-S16 WeakPolarHBondContact O-CB 3.42Å; Y13-S16 PolarHBondContact O-N 3.34Å; Y13-S16 PolarHBondContact O-OG 3.03Å
17R95.6Very high96.1Very high73 Ų73102.7 Ų102.728%0.27551%0.509SS..PPolyproline II helixtrans-84.1146.5168.6-67.2-64.2-64.9-177.8-3.8109.1K21 T45 T47R17-K21 VanDerWaalsContact CZ-O 3.25Å; R17-K21 PolarHBondContact NE-O 3.31Å; R17-K21 PolarHBondContact NH2-O 3.01Å; R17-T45 PolarHBondContact NH1-OG1 3.48Å; R17-T47 VanDerWaalsContact CD-OG1 3.28Å; R17-T47 WeakPolarHBondContact CD-OG1 3.4Å
18A96.2Very high96.2Very high65 Ų6597.7 Ų97.754%0.53750%0.496SS..PPolyproline II helixtrans-65.1153.1173.400000110.3R20 K21A18-R20 PolarHBondContact O-N 3.29Å; A18-K21 HydrophobicContact CB-CB 4.21Å; A18-K21 HydrophobicContact CB-CG 4.27Å; A18-K21 WeakPolarHBondContact O-CB 3.49Å; A18-K21 PolarHBondContact O-N 3.48Å
19F97Very high96.2Very high162 Ų16293.1 Ų93.171%0.71148%0.481SS*.THydrogen-bonded Turntrans-52.9134.4179.1-177.5-116.8000111.5K21F19-K21 PolarHBondContact O-N 2.92Å
20R96.4Very high96.1Very high204 Ų20492.2 Ų92.277%0.7748%0.478SS*.THydrogen-bonded Turntrans5324.9-176.3-61178.2-177.4171.32.7114.6A18A18-R20 PolarHBondContact O-N 3.29Å
21K95.7Very high96.2Very high136 Ų13695.3 Ų95.359%0.59147%0.474SS*.  trans-123.832.3173.7-59.6-65.4-179.3-172.20111.7R17 A18 F19R17-K21 VanDerWaalsContact CZ-O 3.25Å; R17-K21 PolarHBondContact NE-O 3.31Å; R17-K21 PolarHBondContact NH2-O 3.01Å; A18-K21 HydrophobicContact CB-CB 4.21Å; A18-K21 HydrophobicContact CB-CG 4.27Å; A18-K21 WeakPolarHBondContact O-CB 3.49Å; A18-K21 PolarHBondContact O-N 3.48Å; F19-K21 PolarHBondContact O-N 2.92Å
22H95.1Very high96.1Very high131 Ų13199.7 Ų99.761%0.60649%0.489SS*.  trans-80171.6172.9-62.4-94.6000110.9
23G94.6Very high96.2Very high40 Ų4096 Ų9641%0.41248%0.482SS..SBendtrans89.4-157177.700000114.7
24P95.3Very high96.2Very high124 Ų12488.3 Ų88.381%0.80545%0.453SS*.SBendtrans-58.5144.5-175.5-24.934.6000113.5
25I95.5Very high96.3Very high18 Ų1894 Ų949%0.09247%0.471CS..PPolyproline II helixtrans-79.6136.9173.6-63.2178.9000108.5T29 Y30 T45 T47 I48 E94I25-T29 HydrophobicContact CG2-CG2 4.05Å; I25-T29 WeakPolarHBondContact CG2-OG1 3.2Å; I25-Y30 HydrophobicContact CB-CE2 3.97Å; I25-Y30 HydrophobicContact CG2-CE2 4Å; I25-T45 HydrophobicContact CD1-CG2 3.96Å; I25-T47 HydrophobicContact CD1-CG2 4.46Å; I25-T47 HydrophobicContact CG1-CG2 4.25Å; I25-I48 HydrophobicContact CD1-CD1 4.45Å; I25-I48 HydrophobicContact CD1-CG1 3.62Å; I25-E94 HydrophobicContact CD1-CB 3.94Å; I25-E94 HydrophobicContact CD1-CG 4.05Å
26P96.4Very high96.3Very high78 Ų78100.8 Ų100.851%0.50650%0.501SS..PPolyproline II helixtrans-60.9141.3178.424.9-34.9000111.9S28 T29P26-S28 PolarHBondContact O-N 3Å; P26-S28 VanDerWaalsContact O-N 3.12Å; P26-T29 WeakPolarHBondContact O-CB 3.33Å; P26-T29 PolarHBondContact O-N 3.37Å; P26-T29 PolarHBondContact O-OG1 3.34Å
27L96.8Very high96.4Very high129 Ų12998.7 Ų98.768%0.67549%0.489SS*.Hα-helixtrans-56.5-30.2-178-67.6177.7000113.4T29 Y30 M31L27-T29 PolarHBondContact O-N 3.02Å; L27-Y30 PolarHBondContact O-N 3.13Å; L27-M31 HydrophobicContact CB-CE 4.03Å; L27-M31 PolarHBondContact O-N 3.44Å; L27-M31 VanDerWaalsContact O-N 3.12Å
28S96.7Very high96.5Very high70 Ų7097.5 Ų97.549%0.4949%0.488SS..Hα-helixtrans-59.4-16.2174.864.20000114.2P26 R32P26-S28 PolarHBondContact O-N 3Å; P26-S28 VanDerWaalsContact O-N 3.12Å; S28-R32 VanDerWaalsContact O-CG 3.29Å; S28-R32 WeakPolarHBondContact O-CG 3.43Å
29T96.2Very high96.6Very high21 Ų2197 Ų9713%0.12948%0.476CS..Hα-helixtrans-78.4-38.7173.1-51.30000111.3I25 P26 L27I25-T29 HydrophobicContact CG2-CG2 4.05Å; I25-T29 WeakPolarHBondContact CG2-OG1 3.2Å; P26-T29 WeakPolarHBondContact O-CB 3.33Å; P26-T29 PolarHBondContact O-N 3.37Å; P26-T29 PolarHBondContact O-OG1 3.34Å; L27-T29 PolarHBondContact O-N 3.02Å
30Y96.5Very high96.6Very high89 Ų8989.3 Ų89.335%0.34944%0.442SS..Hα-helixtrans-76.5-35.1-177.8-62.5-81.3000112.3I25 L27 R32 I93 E94I25-Y30 HydrophobicContact CB-CE2 3.97Å; I25-Y30 HydrophobicContact CG2-CE2 4Å; L27-Y30 PolarHBondContact O-N 3.13Å; Y30-R32 PolarHBondContact O-N 3.41Å; Y30-I93 HydrophobicContact CD1-CD1 4.1Å; Y30-E94 HydrophobicContact CD1-CG 4.2Å; Y30-E94 HydrophobicContact CE1-CG 3.49Å; Y30-E94 VanDerWaalsContact CE1-CG 3.49Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.43Å
31M96.6Very high96.7Very high142 Ų14282 Ų8270%0.742%0.418SS*.THydrogen-bonded Turntrans-81.77.1-178.3-60-173.4-66.700113.9L27 I33L27-M31 HydrophobicContact CB-CE 4.03Å; L27-M31 PolarHBondContact O-N 3.44Å; L27-M31 VanDerWaalsContact O-N 3.12Å; M31-I33 PolarHBondContact O-N 3.29Å
32R96.4Very high96.8Very high103 Ų10375.5 Ų75.539%0.38939%0.39SS..  trans-71.8125.2176.3-73.7178.1177.5-141.7-8.8110.2S28 Y30 Y34S28-R32 VanDerWaalsContact O-CG 3.29Å; S28-R32 WeakPolarHBondContact O-CG 3.43Å; Y30-R32 PolarHBondContact O-N 3.41Å; R32-Y34 HydrophobicContact CB-CE2 3.81Å; R32-Y34 WeakPolarHBondContact O-CD2 3.4Å
33I97.2Very high96.9Very high123 Ų12375 Ų7563%0.63139%0.386SS*.  trans-84.5122.5177.3-57.3170.5000108.6M31 R35 H98M31-I33 PolarHBondContact O-N 3.29Å; I33-R35 HydrophobicContact CG2-CG 4.42Å; I33-H98 PolarHBondContact O-CE1 3.1Å; I33-H98 PolarHBondContact O-NE2 3.25Å
34Y97.8Very high97Very high18 Ų1873.4 Ų73.47%0.07137%0.369CS..  trans-112.1136.2173-64.5-77.9000109.8R32 V40 V72 I93 V96 H98R32-Y34 HydrophobicContact CB-CE2 3.81Å; R32-Y34 WeakPolarHBondContact O-CD2 3.4Å; Y34-V40 HydrophobicContact CD1-CG1 3.76Å; Y34-V40 HydrophobicContact CE1-CG1 3.76Å; Y34-V72 HydrophobicContact CD2-CG2 3.92Å; Y34-V72 HydrophobicContact CG-CG2 4.03Å; Y34-I93 HydrophobicContact CD2-CG2 4.1Å; Y34-I93 HydrophobicContact CE2-CB 4.24Å; Y34-I93 HydrophobicContact CE2-CG2 4.03Å; Y34-V96 HydrophobicContact CE1-CG1 3.85Å; Y34-V96 VanDerWaalsContact OH-C 3.3Å; Y34-V96 PolarHBondContact OH-O 3.03Å; Y34-H98 AromaticContact CD1-CE1 3.33Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.41Å; Y34-H98 AromaticContact CD1-NE2 3.41Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.28Å; Y34-H98 AromaticContact CE1-CE1 3.27Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.37Å; Y34-H98 AromaticContact CE1-ND1 3.59Å; Y34-H98 AromaticContact CE1-NE2 3.68Å
35R97.5Very high97Very high175 Ų17568 Ų6866%0.6633%0.334SS*.  trans-118.5158.9177.3-60.8-178.2179.8-173-0.7110.5I33 G37 D38 V64I33-R35 HydrophobicContact CG2-CG 4.42Å; R35-G37 PolarHBondContact O-N 3.44Å; R35-D38 WeakPolarHBondContact CA-OD2 3.26Å; R35-D38 WeakPolarHBondContact CB-OD2 3.4Å; R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.47Å; R35-D38 PolarHBondContact O-N 3.46Å; R35-V64 WeakPolarHBondContact O-CB 3.33Å; R35-V64 WeakPolarHBondContact O-CG1 3.37Å
36K97.9Very high97Very high151 Ų15168.2 Ų68.266%0.65734%0.341SS*.THydrogen-bonded Turntrans-60.5130.2172.9-71.8-176.5178.8174.90109.2Y65 V67K36-Y65 WeakPolarHBondContact CE-O 3.37Å; K36-V67 HydrophobicContact CG-CG2 4.49Å
37G96.7Very high97Very high21 Ų2167.1 Ų67.122%0.21633%0.333CS..THydrogen-bonded Turntrans94.5-8179.300000115.6R35 R63 V64R35-G37 PolarHBondContact O-N 3.44Å; G37-R63 VanDerWaalsContact CA-NE 3.3Å; G37-R63 WeakPolarHBondContact O-CG 3.36Å; G37-R63 PolarHBondContact O-NE 2.93Å; G37-V64 PolarHBondContact N-O 2.98Å
38D97.6Very high97Very high48 Ų4862.6 Ų62.626%0.25731%0.309SS..  trans-65.3147.5176.1-68.7-16.3000111.5R35 R63 V64 H98R35-D38 WeakPolarHBondContact CA-OD2 3.26Å; R35-D38 WeakPolarHBondContact CB-OD2 3.4Å; R35-D38 PolarHBondContact N-OD2 3.4Å; R35-D38 WeakPolarHBondContact O-CB 3.47Å; R35-D38 PolarHBondContact O-N 3.46Å; D38-R63 WeakPolarHBondContact O-CA 3.46Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.29Å; D38-H98 IonicContact OD2-NE2 3.79Å
39I97.9Very high96.9Very high55 Ų5566.3 Ų66.328%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-94122.6175.6-58-175.4000108.6T61 G62 S99 R102I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; I39-G62 WeakPolarHBondContact CA-O 3.47Å; I39-S99 PolarHBondContact O-N 2.91Å; I39-R102 HydrophobicContact CB-CB 4.4Å; I39-R102 HydrophobicContact CD1-CB 4.15Å; I39-R102 HydrophobicContact CD1-CG 4.18Å
40V98.3Very high97Very high0 Ų073.2 Ų73.20%035%0.347CS..EExtended strand (participates in β ladder)trans-130.2142.6-173-63.60000112.1Y34 T61 G62 V64 I74 V96 K97Y34-V40 HydrophobicContact CD1-CG1 3.76Å; Y34-V40 HydrophobicContact CE1-CG1 3.76Å; V40-T61 CarbonylContact O-C 3.5Å; V40-T61 WeakPolarHBondContact O-CA 3.14Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; V40-G62 PolarHBondContact N-O 3.19Å; V40-G62 PolarHBondContact O-N 3.11Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.91Å; V40-I74 HydrophobicContact CG2-CD1 3.72Å; V40-I74 HydrophobicContact CG2-CG1 3.91Å; V40-I74 HydrophobicContact CG2-CG2 3.94Å; V40-V96 HydrophobicContact CB-CG1 3.55Å; V40-V96 HydrophobicContact CG1-CG1 3.88Å; V40-V96 HydrophobicContact CG2-CG1 3.85Å; V40-K97 CarbonylContact C-O 3.44Å; V40-K97 VanDerWaalsContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CA-O 3.33Å; V40-K97 WeakPolarHBondContact CB-O 3.13Å
41D98.1Very high97Very high49 Ų4970.7 Ų70.726%0.26235%0.348SS..EExtended strand (participates in β ladder)trans-97.4136.7174.7-60.4-35.4000109.9T61 K97 S99D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.39Å; D41-T61 PolarHBondContact OD1-OG1 2.91Å; D41-K97 PolarHBondContact N-O 2.86Å; D41-K97 PolarHBondContact O-N 3.41Å; D41-S99 WeakPolarHBondContact OD1-CB 3.48Å; D41-S99 PolarHBondContact OD1-OG 2.88Å; D41-S99 WeakPolarHBondContact OD2-CA 3.27Å; D41-S99 WeakPolarHBondContact OD2-CB 3.33Å; D41-S99 PolarHBondContact OD2-OG 3.13Å; D41-S99 VanDerWaalsContact OD2-OG 3.14Å
42I98.3Very high97.1Very high1 Ų165.6 Ų65.61%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-99.7117.2-178.2-60.4162000109.4P53 Y57 G59 K60 I74 V76 I89I42-P53 HydrophobicContact CG2-CB 3.81Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; I42-Y57 WeakPolarHBondContact CB-O 3.48Å; I42-Y57 WeakPolarHBondContact CG2-O 3.47Å; I42-G59 PolarHBondContact O-N 3.32Å; I42-K60 WeakPolarHBondContact CB-O 3.4Å; I42-K60 PolarHBondContact N-O 3.44Å; I42-I74 HydrophobicContact CD1-CD1 4.22Å; I42-I74 HydrophobicContact CD1-CG2 4.39Å; I42-I74 HydrophobicContact CG1-CD1 3.96Å; I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; I42-I89 HydrophobicContact CD1-CD1 3.76Å
43K97.4Very high97.1Very high121 Ų12161.1 Ų61.153%0.52631%0.307SS..  trans-13599.5174.3-173.5166.6-175.4166.60109.9H95K43-H95 CarbonylContact C-O 3.57Å; K43-H95 PolarHBondContact N-O 3.31Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.32Å; K43-H95 WeakPolarHBondContact O-CA 3.37Å
44G95.9Very high97.2Very high5 Ų559 Ų595%0.05230%0.295CS..  trans-59.6136.6175.900000111.6H58G44-H58 PolarHBondContact N-ND1 3.46Å
45T95.8Very high97.2Very high11 Ų1161 Ų617%0.06730%0.303CS..  trans-114.2135.9175176.40000109.1R17 I25 T47 M52 E94 H95R17-T45 PolarHBondContact NH1-OG1 3.48Å; I25-T45 HydrophobicContact CD1-CG2 3.96Å; T45-T47 VanDerWaalsContact C-N 3.27Å; T45-T47 PolarHBondContact O-N 3.42Å; T45-M52 WeakPolarHBondContact O-CE 3.47Å; T45-E94 HydrophobicContact CG2-CB 4.19Å; T45-H95 VanDerWaalsContact CG2-ND1 3.34Å; T45-H95 WeakPolarHBondContact CG2-ND1 3.49Å; T45-H95 PolarHBondContact N-ND1 2.81Å; T45-H95 PolarHBondContact O-CE1 3.35Å
46G95Very high97.2Very high23 Ų2354.6 Ų54.624%0.23729%0.285CS..THydrogen-bonded Turntrans-67.4-21.7-18000000115.1F15 I48F15-G46 WeakPolarHBondContact O-CA 3.25Å; F15-G46 PolarHBondContact O-N 2.93Å; F15-G46 VanDerWaalsContact O-N 3.14Å; G46-I48 PolarHBondContact O-N 3.5Å
47T95.8Very high97.2Very high55 Ų5548.6 Ų48.634%0.33726%0.259SS..THydrogen-bonded Turntrans-64.2-38.7-177-47.70000112.6R17 I25 T45R17-T47 VanDerWaalsContact CD-OG1 3.28Å; R17-T47 WeakPolarHBondContact CD-OG1 3.4Å; I25-T47 HydrophobicContact CD1-CG2 4.46Å; I25-T47 HydrophobicContact CG1-CG2 4.25Å; T45-T47 VanDerWaalsContact C-N 3.27Å; T45-T47 PolarHBondContact O-N 3.42Å
48I96.8Very high97.2Very high34 Ų3450 Ų5017%0.17426%0.259CS..  trans-110.2122.3-178.5-59.4-60.8000108.3I25 G46 M52 E94 H95I25-I48 HydrophobicContact CD1-CD1 4.45Å; I25-I48 HydrophobicContact CD1-CG1 3.62Å; G46-I48 PolarHBondContact O-N 3.5Å; I48-M52 WeakPolarHBondContact O-CE 3.47Å; I48-E94 HydrophobicContact CG1-CB 4.26Å; I48-E94 HydrophobicContact CG1-CG 4.02Å; I48-H95 PolarHBondContact O-CE1 2.79Å; I48-H95 PolarHBondContact O-NE2 2.75Å
49Q96.2Very high97.2Very high147 Ų14750.5 Ų50.569%0.68728%0.276SS*.  trans-93-30.3-177-57.4-178.912.400112.6M52Q49-M52 WeakPolarHBondContact O-CB 3.39Å
50K97.4Very high97.2Very high166 Ų16652.8 Ų52.872%0.72228%0.284SS*.THydrogen-bonded Turntrans-71.7135.5-178.7-66.6-171.4176.71800110.9M52 R92K50-M52 PolarHBondContact O-N 2.94Å; K50-R92 WeakPolarHBondContact O-CD 3.44Å
51G96.8Very high97.2Very high37 Ų3756 Ų5638%0.38130%0.304SS..THydrogen-bonded Turntrans6123.718000000114.5R92 H95G51-R92 PolarHBondContact O-N 3.22Å; G51-H95 PolarHBondContact O-CD2 3.41Å
52M97.4Very high97.2Very high35 Ų3554.2 Ų54.217%0.17230%0.297CS..PPolyproline II helixtrans-66133.7174.8-176.5177.8-70.600110.5F15 T45 I48 Q49 K50 H95F15-M52 HydrophobicContact CD1-SD 4.45Å; F15-M52 HydrophobicContact CD2-SD 3.83Å; F15-M52 HydrophobicContact CE1-SD 4.44Å; F15-M52 HydrophobicContact CE2-SD 3.81Å; F15-M52 HydrophobicContact CG-SD 4.15Å; F15-M52 HydrophobicContact CZ-CG 4.35Å; F15-M52 HydrophobicContact CZ-SD 4.12Å; T45-M52 WeakPolarHBondContact O-CE 3.47Å; I48-M52 WeakPolarHBondContact O-CE 3.47Å; Q49-M52 WeakPolarHBondContact O-CB 3.39Å; K50-M52 PolarHBondContact O-N 2.94Å; M52-H95 WeakPolarHBondContact CA-NE2 3.45Å
53P98.1Very high97.2Very high9 Ų961.6 Ų61.66%0.05833%0.325CS..PPolyproline II helixtrans-69.6149.9176.729.5-35.2000111F15 I42 V91 H95F15-P53 WeakPolarHBondContact CZ-O 3.46Å; I42-P53 HydrophobicContact CG2-CB 3.81Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; P53-V91 HydrophobicContact CB-CG1 4.41Å; P53-V91 HydrophobicContact CB-CG2 4.22Å; P53-V91 HydrophobicContact CG-CG1 4.36Å; P53-H95 HydrophobicContact CG-CB 4.34Å
54H98Very high97.2Very high78 Ų7856 Ų5636%0.36130%0.301SS..PPolyproline II helixtrans-63.6149.4169-177.8-97.6000110.7C56 Y57H54-C56 PolarHBondContact ND1-N 3.07Å; H54-C56 PolarHBondContact ND1-SG 3.26Å; H54-C56 PolarHBondContact O-N 3.26Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 2.98Å
55K97.4Very high97.3Very high59 Ų5959.1 Ų59.126%0.25731%0.311SS..G310 helixtrans-52.7-30-176.359.5175.6175.3177.30115.5R9 T11 M14 F15 Y57 H58R9-K55 PolarHBondContact O-NZ 3.26Å; T11-K55 HydrophobicContact CG2-CB 3.85Å; T11-K55 HydrophobicContact CG2-CD 3.88Å; T11-K55 HydrophobicContact CG2-CG 4.4Å; M14-K55 HydrophobicContact CE-CB 3.25Å; M14-K55 HydrophobicContact SD-CB 4.03Å; F15-K55 HydrophobicContact CZ-CB 4.44Å; K55-Y57 PolarHBondContact O-N 3.23Å; K55-H58 PolarHBondContact O-N 3.23Å
56C97.5Very high97.4Very high41 Ų4161.3 Ų61.328%0.27732%0.323SS..G310 helixtrans-66.7-15.6178.167.60000114.2H54H54-C56 PolarHBondContact ND1-N 3.07Å; H54-C56 PolarHBondContact ND1-SG 3.26Å; H54-C56 PolarHBondContact O-N 3.26Å
57Y98.2Very high97.6Very high26 Ų2663.1 Ų63.110%0.10233%0.329CS..G310 helixtrans-102.8-3.8178.5-55.6-63.7000112.8I42 H54 K55 G59 K60 V76 K78 I89I42-Y57 WeakPolarHBondContact CB-O 3.48Å; I42-Y57 WeakPolarHBondContact CG2-O 3.47Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 2.98Å; K55-Y57 PolarHBondContact O-N 3.23Å; Y57-G59 PolarHBondContact O-N 2.87Å; Y57-K60 WeakPolarHBondContact O-CB 3.14Å; Y57-K60 PolarHBondContact O-N 2.82Å; Y57-K60 VanDerWaalsContact O-N 3.13Å; Y57-V76 HydrophobicContact CD1-CB 4.26Å; Y57-V76 HydrophobicContact CD1-CG1 3.97Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; Y57-V76 HydrophobicContact CE1-CG1 4.47Å; Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; Y57-K78 HydrophobicContact CE1-CG 4.45Å; Y57-I89 HydrophobicContact CD1-CD1 4.32Å; Y57-I89 HydrophobicContact CD2-CD1 4.06Å; Y57-I89 HydrophobicContact CD2-CG2 4.29Å; Y57-I89 HydrophobicContact CE1-CG2 4.45Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 3.95Å
58H97.6Very high97.7Very high49 Ų4963.9 Ų63.923%0.22733%0.334CS..THydrogen-bonded Turntrans-64.2130.1174.7-169.2103.2000109.7M14 F15 G44 K55 K60M14-H58 HydrophobicContact CE-CB 4.21Å; M14-H58 HydrophobicContact CG-CB 4.28Å; M14-H58 PolarHBondContact O-CE1 2.87Å; M14-H58 VanDerWaalsContact O-CE1 3.29Å; M14-H58 HydrophobicContact SD-CB 3.79Å; F15-H58 AromaticContact CD1-ND1 3.98Å; F15-H58 AromaticContact CE1-ND1 3.73Å; G44-H58 PolarHBondContact N-ND1 3.46Å; K55-H58 PolarHBondContact O-N 3.23Å; H58-K60 PolarHBondContact O-N 2.92Å
59G97.1Very high97.7Very high59 Ų5970.5 Ų70.561%0.60836%0.364SS*.THydrogen-bonded Turntrans7311.3-176.900000114.2I42 Y57I42-G59 PolarHBondContact O-N 3.32Å; Y57-G59 PolarHBondContact O-N 2.87Å
60K97.8Very high97.7Very high104 Ų10468 Ų6845%0.45235%0.352SS..  trans-93.1148173.1-59.9-60.1-177.3-176.90110.6I42 Y57 H58 V76I42-K60 WeakPolarHBondContact CB-O 3.4Å; I42-K60 PolarHBondContact N-O 3.44Å; Y57-K60 WeakPolarHBondContact O-CB 3.14Å; Y57-K60 PolarHBondContact O-N 2.82Å; Y57-K60 VanDerWaalsContact O-N 3.13Å; H58-K60 PolarHBondContact O-N 2.92Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.38Å
61T98.3Very high97.7Very high67 Ų6760.9 Ų60.941%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-105.1144.8175-520000109.2I39 V40 D41I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; V40-T61 CarbonylContact O-C 3.5Å; V40-T61 WeakPolarHBondContact O-CA 3.14Å; V40-T61 WeakPolarHBondContact O-CG2 3.47Å; D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.39Å; D41-T61 PolarHBondContact OD1-OG1 2.91Å
62G97.8Very high97.8Very high11 Ų1159.2 Ų59.211%0.11331%0.307CS..EExtended strand (participates in β ladder)trans-151.1-178.9178.800000112.3I39 V40 I75I39-G62 WeakPolarHBondContact CA-O 3.47Å; V40-G62 PolarHBondContact N-O 3.19Å; V40-G62 PolarHBondContact O-N 3.11Å; G62-I75 CarbonylContact C-O 3.49Å; G62-I75 WeakPolarHBondContact CA-O 3.47Å
63R98.3Very high97.9Very high157 Ų15757.6 Ų57.659%0.59230%0.299SS*.EExtended strand (participates in β ladder)trans-112.7136178.7-168172-173.9-161.5-10.4110.7G37 D38 Y65 I74 I75G37-R63 VanDerWaalsContact CA-NE 3.3Å; G37-R63 WeakPolarHBondContact O-CG 3.36Å; G37-R63 PolarHBondContact O-NE 2.93Å; D38-R63 WeakPolarHBondContact O-CA 3.46Å; R63-Y65 PolarHBondContact O-N 3.24Å; R63-I74 WeakPolarHBondContact O-CA 3.18Å; R63-I75 PolarHBondContact N-O 2.84Å; R63-I75 PolarHBondContact O-N 2.85Å
64V98.5Very high97.9Very high4 Ų457.2 Ų57.22%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-69.4126.6176.8178.70000110.2R35 G37 D38 V40 V67 V72 G73R35-V64 WeakPolarHBondContact O-CB 3.33Å; R35-V64 WeakPolarHBondContact O-CG1 3.37Å; G37-V64 PolarHBondContact N-O 2.98Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.29Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.91Å; V64-V67 HydrophobicContact CG1-CG2 3.79Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.39Å; V64-V72 HydrophobicContact CG2-CG1 3.48Å; V64-V72 VanDerWaalsContact CG2-CG1 3.48Å; V64-G73 CarbonylContact C-O 3.54Å; V64-G73 WeakPolarHBondContact CA-O 3.38Å
65Y98.3Very high97.9Very high70 Ų7056 Ų5628%0.27529%0.292SS..EExtended strand (participates in β ladder)trans-110.3-30.317480.7-88.3000112.7K36 R63 G73 I75 R88 N90K36-Y65 WeakPolarHBondContact CE-O 3.37Å; R63-Y65 PolarHBondContact O-N 3.24Å; Y65-G73 WeakPolarHBondContact CD1-O 3.35Å; Y65-G73 PolarHBondContact N-O 3.12Å; Y65-I75 HydrophobicContact CD1-CD1 4.47Å; Y65-I75 HydrophobicContact CD1-CG1 3.79Å; Y65-I75 HydrophobicContact CG-CD1 4.28Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; Y65-R88 HydrophobicContact CD1-CG 4.29Å; Y65-R88 HydrophobicContact CE1-CB 3.89Å; Y65-R88 HydrophobicContact CE1-CG 3.97Å; Y65-N90 PolarHBondContact OH-OD1 3.14Å
66N98.1Very high97.9Very high57 Ų5753.3 Ų53.331%0.30528%0.28SS..EExtended strand (participates in β ladder)trans-137.9151179.4-167.331000110.9G73N66-G73 PolarHBondContact N-O 3.32Å; N66-G73 PolarHBondContact O-N 3.26Å
67V98.1Very high98Very high60 Ų6056.4 Ų56.436%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-130.5129.7177-177.30000107.3K36 V64K36-V67 HydrophobicContact CG-CG2 4.49Å; V64-V67 HydrophobicContact CG1-CG2 3.79Å
68T97.4Very high97.9Very high72 Ų7258.5 Ų58.544%0.44230%0.304SS..  trans-123.4176.7176.8700000109.8H70 A71T68-H70 PolarHBondContact O-N 3.15Å; T68-H70 VanDerWaalsContact O-N 3.12Å; T68-A71 PolarHBondContact N-O 3.13Å; T68-A71 PolarHBondContact OG1-N 3.42Å; T68-A71 PolarHBondContact OG1-O 3.48Å; T68-A71 VanDerWaalsContact OG1-O 3.09Å
69Q97.3Very high97.9Very high172 Ų17262.8 Ų62.880%0.80432%0.324SS*.SBendtrans-52.8-37.4-173.9-167.9-175.8-1.700114.4
70H96.9Very high97.9Very high95 Ų9562.7 Ų62.744%0.4431%0.311SS..SBendtrans-130.70.4-175.8-56.3-47.9000114T68 I93T68-H70 PolarHBondContact O-N 3.15Å; T68-H70 VanDerWaalsContact O-N 3.12Å; H70-I93 PolarHBondContact O-N 2.85Å
71A97.7Very high97.8Very high17 Ų1767.2 Ų67.214%0.1433%0.331CS..EExtended strand (participates in β ladder)trans-144163.5-172.300000112.2T68 V91 R92T68-A71 PolarHBondContact N-O 3.13Å; T68-A71 PolarHBondContact OG1-N 3.42Å; T68-A71 PolarHBondContact OG1-O 3.48Å; T68-A71 VanDerWaalsContact OG1-O 3.09Å; A71-V91 WeakPolarHBondContact CA-O 3.41Å; A71-V91 WeakPolarHBondContact CB-O 3.43Å; A71-R92 HydrophobicContact CB-CG 4.19Å
72V98.3Very high97.7Very high2 Ų268 Ų681%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-125130.2-179.7-174.10000108.1Y34 V64 I74 V91 I93Y34-V72 HydrophobicContact CD2-CG2 3.92Å; Y34-V72 HydrophobicContact CG-CG2 4.03Å; V64-V72 HydrophobicContact CB-CG1 4Å; V64-V72 HydrophobicContact CG1-CG1 3.39Å; V64-V72 HydrophobicContact CG2-CG1 3.48Å; V64-V72 VanDerWaalsContact CG2-CG1 3.48Å; V72-I74 HydrophobicContact CB-CG1 4.47Å; V72-I74 HydrophobicContact CG1-CG1 4.06Å; V72-V91 PolarHBondContact N-O 3.44Å; V72-V91 PolarHBondContact O-N 2.84Å; V72-I93 HydrophobicContact CG2-CG2 3.98Å
73G98.4Very high97.7Very high1 Ų173.9 Ų73.91%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-83.1120.317000000109.4V64 Y65 N66 I89V64-G73 CarbonylContact C-O 3.54Å; V64-G73 WeakPolarHBondContact CA-O 3.38Å; Y65-G73 WeakPolarHBondContact CD1-O 3.35Å; Y65-G73 PolarHBondContact N-O 3.12Å; N66-G73 PolarHBondContact N-O 3.32Å; N66-G73 PolarHBondContact O-N 3.26Å; G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.41Å
74I98.6Very high97.7Very high0 Ų072.1 Ų72.10%038%0.376CS..EExtended strand (participates in β ladder)trans-119.7133.2-175.1-51.9166.9000109.5V40 I42 R63 V72 V76 R88 I89 V91 V96V40-I74 HydrophobicContact CG2-CD1 3.72Å; V40-I74 HydrophobicContact CG2-CG1 3.91Å; V40-I74 HydrophobicContact CG2-CG2 3.94Å; I42-I74 HydrophobicContact CD1-CD1 4.22Å; I42-I74 HydrophobicContact CD1-CG2 4.39Å; I42-I74 HydrophobicContact CG1-CD1 3.96Å; R63-I74 WeakPolarHBondContact O-CA 3.18Å; V72-I74 HydrophobicContact CB-CG1 4.47Å; V72-I74 HydrophobicContact CG1-CG1 4.06Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.63Å; I74-R88 WeakPolarHBondContact O-CA 3.5Å; I74-I89 HydrophobicContact CB-CG1 4.21Å; I74-I89 PolarHBondContact N-O 2.87Å; I74-I89 WeakPolarHBondContact O-CG1 3.41Å; I74-I89 PolarHBondContact O-N 2.61Å; I74-V91 HydrophobicContact CD1-CB 4.2Å; I74-V91 HydrophobicContact CD1-CG2 4.33Å; I74-V96 HydrophobicContact CD1-CG1 4.19Å; I74-V96 HydrophobicContact CD1-CG2 3.77Å
75I98.4Very high97.6Very high54 Ų5474.3 Ų74.328%0.27739%0.387SS..EExtended strand (participates in β ladder)trans-89.2118.3166.4-62.3167.6000107.8G62 R63 Y65 A86 K87 R88G62-I75 CarbonylContact C-O 3.49Å; G62-I75 WeakPolarHBondContact CA-O 3.47Å; R63-I75 PolarHBondContact N-O 2.84Å; R63-I75 PolarHBondContact O-N 2.85Å; Y65-I75 HydrophobicContact CD1-CD1 4.47Å; Y65-I75 HydrophobicContact CD1-CG1 3.79Å; Y65-I75 HydrophobicContact CG-CD1 4.28Å; Y65-I75 HydrophobicContact CG-CG1 4.1Å; I75-A86 HydrophobicContact CG2-CB 3.93Å; I75-K87 WeakPolarHBondContact CA-O 3.48Å; I75-R88 HydrophobicContact CG1-CG 3.91Å
76V98.2Very high97.6Very high1 Ų174.3 Ų74.31%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-123.8136-179.1-173.80000109.6I42 Y57 K60 I74 K78 K87 I89I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; Y57-V76 HydrophobicContact CD1-CB 4.26Å; Y57-V76 HydrophobicContact CD1-CG1 3.97Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; Y57-V76 HydrophobicContact CE1-CG1 4.47Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.38Å; I74-V76 HydrophobicContact CB-CG2 4.28Å; I74-V76 HydrophobicContact CG2-CG2 3.63Å; V76-K78 PolarHBondContact O-N 3.44Å; V76-K87 PolarHBondContact N-O 3.38Å; V76-K87 PolarHBondContact O-N 3.36Å; V76-I89 HydrophobicContact CG2-CD1 3.8Å; V76-I89 HydrophobicContact CG2-CG1 4.13Å
77N97.9Very high97.6Very high107 Ų10775.6 Ų75.657%0.57241%0.405SS*.EExtended strand (participates in β ladder)trans-77.9119.9174.1-70.7-19.2000110.3I84N77-I84 HydrophobicContact CB-CG2 3.76Å
78K97.5Very high97.6Very high69 Ų6981.3 Ų81.330%0.342%0.42SS..EExtended strand (participates in β ladder)trans-118.4120.8176.1-174.9-179.2177.31790109.7Y57 V76 V80 L85 K87Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 4.04Å; Y57-K78 HydrophobicContact CE1-CG 4.45Å; V76-K78 PolarHBondContact O-N 3.44Å; K78-V80 HydrophobicContact CD-CG2 4.26Å; K78-V80 HydrophobicContact CG-CG2 4.19Å; K78-V80 PolarHBondContact O-N 3.01Å; K78-L85 PolarHBondContact N-O 3.25Å; K78-L85 PolarHBondContact O-N 3.3Å; K78-K87 HydrophobicContact CB-CG 4.06Å
79Q97.4Very high97.7Very high140 Ų14079.1 Ų79.165%0.65441%0.405SS*.EExtended strand (participates in β ladder)trans-71.9125.8168.2-171.2175.2-3.100109.9K81 K83 I84Q79-K81 WeakPolarHBondContact CG-O 3.45Å; Q79-K81 PolarHBondContact NE2-O 2.93Å; Q79-K83 WeakPolarHBondContact CA-O 3.44Å; Q79-I84 HydrophobicContact CB-CG1 4.46Å
80V96.9Very high97.7Very high57 Ų5776.2 Ų76.235%0.34540%0.395SS..EExtended strand (participates in β ladder)trans-12499.4175-177.70000106.9K78 G82 K83 L85K78-V80 HydrophobicContact CD-CG2 4.26Å; K78-V80 HydrophobicContact CG-CG2 4.19Å; K78-V80 PolarHBondContact O-N 3.01Å; V80-G82 PolarHBondContact O-N 2.82Å; V80-K83 PolarHBondContact N-O 2.89Å; V80-K83 PolarHBondContact O-N 2.92Å; V80-L85 HydrophobicContact CB-CD1 4.3Å; V80-L85 HydrophobicContact CG2-CD1 4.02Å
81K95.4Very high97.8Very high199 Ų19971.7 Ų71.787%0.86537%0.374SS*.THydrogen-bonded Turntrans56.1-117.9-171.4-55.2-179.8178.1-176.40110.1Q79Q79-K81 WeakPolarHBondContact CG-O 3.45Å; Q79-K81 PolarHBondContact NE2-O 2.93Å
82G96.6Very high97.8Very high83 Ų8373.9 Ų73.986%0.85638%0.379SS*.THydrogen-bonded Turntrans-85.1-2.3-17700000116.4V80V80-G82 PolarHBondContact O-N 2.82Å
83K97.6Very high97.7Very high134 Ų13475 Ų7558%0.58339%0.385SS*.EExtended strand (participates in β ladder)trans-126147-176.764.3-176.8177.8-174.70113.6Q79 V80 L85Q79-K83 WeakPolarHBondContact CA-O 3.44Å; V80-K83 PolarHBondContact N-O 2.89Å; V80-K83 PolarHBondContact O-N 2.92Å; K83-L85 HydrophobicContact CD-CD2 4.01Å; K83-L85 HydrophobicContact CG-CD2 4.16Å; K83-L85 HydrophobicContact CG-CG 4.32Å
84I97.8Very high97.7Very high120 Ų12075.4 Ų75.462%0.61539%0.386SS*.EExtended strand (participates in β ladder)trans-96.2121.9174.2-59.4175.3000108.6N77 Q79N77-I84 HydrophobicContact CB-CG2 3.76Å; Q79-I84 HydrophobicContact CB-CG1 4.46Å
85L97.6Very high97.7Very high50 Ų5075.5 Ų75.526%0.26239%0.386SS..EExtended strand (participates in β ladder)trans-110.8131179-60.2-179.1000110.2K78 V80 K83 K87K78-L85 PolarHBondContact N-O 3.25Å; K78-L85 PolarHBondContact O-N 3.3Å; V80-L85 HydrophobicContact CB-CD1 4.3Å; V80-L85 HydrophobicContact CG2-CD1 4.02Å; K83-L85 HydrophobicContact CD-CD2 4.01Å; K83-L85 HydrophobicContact CG-CD2 4.16Å; K83-L85 HydrophobicContact CG-CG 4.32Å; L85-K87 HydrophobicContact CB-CD 4.43Å; L85-K87 HydrophobicContact CB-CG 4.41Å; L85-K87 PolarHBondContact O-N 3.39Å
86A97.8Very high97.6Very high71 Ų7172.9 Ų72.959%0.58737%0.373SS*.EExtended strand (participates in β ladder)trans-74106167.700000109.2I75I75-A86 HydrophobicContact CG2-CB 3.93Å
87K98.2Very high97.6Very high83 Ų8377.5 Ų77.536%0.36139%0.393SS..EExtended strand (participates in β ladder)trans-101.8132.7-179.7-66.8-63.7-174.2-178.20110.1I75 V76 K78 L85I75-K87 WeakPolarHBondContact CA-O 3.48Å; V76-K87 PolarHBondContact N-O 3.38Å; V76-K87 PolarHBondContact O-N 3.36Å; K78-K87 HydrophobicContact CB-CG 4.06Å; L85-K87 HydrophobicContact CB-CD 4.43Å; L85-K87 HydrophobicContact CB-CG 4.41Å; L85-K87 PolarHBondContact O-N 3.39Å
88R98.3Very high97.5Very high181 Ų18175.4 Ų75.468%0.68338%0.38SS*.EExtended strand (participates in β ladder)trans-88.3128.3171.3-69.5175.7-177.9176.50.6109.3Y65 I74 I75Y65-R88 HydrophobicContact CD1-CG 4.29Å; Y65-R88 HydrophobicContact CE1-CB 3.89Å; Y65-R88 HydrophobicContact CE1-CG 3.97Å; I74-R88 WeakPolarHBondContact O-CA 3.5Å; I75-R88 HydrophobicContact CG1-CG 3.91Å
89I97.9Very high97.5Very high25 Ų2572.5 Ų72.513%0.12837%0.368CS..EExtended strand (participates in β ladder)trans-133146.6176.759.4172.2000110.3I42 Y57 G73 I74 V76 V91I42-I89 HydrophobicContact CD1-CD1 3.76Å; Y57-I89 HydrophobicContact CD1-CD1 4.32Å; Y57-I89 HydrophobicContact CD2-CD1 4.06Å; Y57-I89 HydrophobicContact CD2-CG2 4.29Å; Y57-I89 HydrophobicContact CE1-CG2 4.45Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 3.95Å; G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.41Å; I74-I89 HydrophobicContact CB-CG1 4.21Å; I74-I89 PolarHBondContact N-O 2.87Å; I74-I89 WeakPolarHBondContact O-CG1 3.41Å; I74-I89 PolarHBondContact O-N 2.61Å; V76-I89 HydrophobicContact CG2-CD1 3.8Å; V76-I89 HydrophobicContact CG2-CG1 4.13Å; I89-V91 HydrophobicContact CB-CG2 4.38Å; I89-V91 HydrophobicContact CD1-CG2 3.63Å; I89-V91 HydrophobicContact CG1-CG2 3.89Å
90N98.2Very high97.4Very high111 Ų11174.2 Ų74.259%0.59437%0.373SS*.EExtended strand (participates in β ladder)trans-102.4122.6172.5-64.8-34.8000108.6Y65Y65-N90 PolarHBondContact OH-OD1 3.14Å
91V98.2Very high97.2Very high1 Ų175 Ų751%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-133134.5-174.6-176.40000108.9P53 A71 V72 I74 I89 H95 V96P53-V91 HydrophobicContact CB-CG1 4.41Å; P53-V91 HydrophobicContact CB-CG2 4.22Å; P53-V91 HydrophobicContact CG-CG1 4.36Å; A71-V91 WeakPolarHBondContact CA-O 3.41Å; A71-V91 WeakPolarHBondContact CB-O 3.43Å; V72-V91 PolarHBondContact N-O 3.44Å; V72-V91 PolarHBondContact O-N 2.84Å; I74-V91 HydrophobicContact CD1-CB 4.2Å; I74-V91 HydrophobicContact CD1-CG2 4.33Å; I89-V91 HydrophobicContact CB-CG2 4.38Å; I89-V91 HydrophobicContact CD1-CG2 3.63Å; I89-V91 HydrophobicContact CG1-CG2 3.89Å; V91-H95 HydrophobicContact CG1-CB 3.59Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.68Å
92R98.2Very high97.2Very high62 Ų6270.5 Ų70.523%0.23436%0.359CS..EExtended strand (participates in β ladder)trans-71.1154.1175.9-71.3-176.494.5-1425.2112.2K50 G51 A71 E94 H95K50-R92 WeakPolarHBondContact O-CD 3.44Å; G51-R92 PolarHBondContact O-N 3.22Å; A71-R92 HydrophobicContact CB-CG 4.19Å; R92-E94 WeakPolarHBondContact CB-OE2 3.44Å; R92-E94 IonicContact CZ-OE1 3.97Å; R92-E94 IonicContact CZ-OE2 3.68Å; R92-E94 IonicContact NH1-OE1 3.35Å; R92-E94 PolarHBondContact NH1-OE1 3.34Å; R92-E94 IonicContact NH1-OE2 2.71Å; R92-E94 IonicContact NH2-OE1 3.69Å; R92-E94 PolarHBondContact O-N 2.91Å; R92-E94 VanDerWaalsContact O-N 3.15Å; R92-H95 PolarHBondContact O-N 3.25Å
93I97.6Very high97.1Very high27 Ų2770.2 Ų70.214%0.13834%0.338CS..G310 helixtrans-58.6-27.8-17357.5178.4000114.1Y30 Y34 H70 V72 H95 V96Y30-I93 HydrophobicContact CD1-CD1 4.1Å; Y34-I93 HydrophobicContact CD2-CG2 4.1Å; Y34-I93 HydrophobicContact CE2-CB 4.24Å; Y34-I93 HydrophobicContact CE2-CG2 4.03Å; H70-I93 PolarHBondContact O-N 2.85Å; V72-I93 HydrophobicContact CG2-CG2 3.98Å; I93-H95 PolarHBondContact O-N 3.15Å; I93-V96 PolarHBondContact O-N 3.38Å
94E97.7Very high97Very high9 Ų967.1 Ų67.14%0.04233%0.333CS..G310 helixtrans-67.1-20179.1-53.495.4142.300112.9I25 Y30 T45 I48 R92I25-E94 HydrophobicContact CD1-CB 3.94Å; I25-E94 HydrophobicContact CD1-CG 4.05Å; Y30-E94 HydrophobicContact CD1-CG 4.2Å; Y30-E94 HydrophobicContact CE1-CG 3.49Å; Y30-E94 VanDerWaalsContact CE1-CG 3.49Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.43Å; T45-E94 HydrophobicContact CG2-CB 4.19Å; I48-E94 HydrophobicContact CG1-CB 4.26Å; I48-E94 HydrophobicContact CG1-CG 4.02Å; R92-E94 WeakPolarHBondContact CB-OE2 3.44Å; R92-E94 IonicContact CZ-OE1 3.97Å; R92-E94 IonicContact CZ-OE2 3.68Å; R92-E94 IonicContact NH1-OE1 3.35Å; R92-E94 PolarHBondContact NH1-OE1 3.34Å; R92-E94 IonicContact NH1-OE2 2.71Å; R92-E94 IonicContact NH2-OE1 3.69Å; R92-E94 PolarHBondContact O-N 2.91Å; R92-E94 VanDerWaalsContact O-N 3.15Å
95H97.9Very high96.9Very high1 Ų165.1 Ų65.11%0.00532%0.32CS..G310 helixtrans-99.93.8179.7-54.3-48.4000113.4K43 T45 I48 G51 M52 P53 V91 R92 I93K43-H95 CarbonylContact C-O 3.57Å; K43-H95 PolarHBondContact N-O 3.31Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.32Å; K43-H95 WeakPolarHBondContact O-CA 3.37Å; T45-H95 VanDerWaalsContact CG2-ND1 3.34Å; T45-H95 WeakPolarHBondContact CG2-ND1 3.49Å; T45-H95 PolarHBondContact N-ND1 2.81Å; T45-H95 PolarHBondContact O-CE1 3.35Å; I48-H95 PolarHBondContact O-CE1 2.79Å; I48-H95 PolarHBondContact O-NE2 2.75Å; G51-H95 PolarHBondContact O-CD2 3.41Å; M52-H95 WeakPolarHBondContact CA-NE2 3.45Å; P53-H95 HydrophobicContact CG-CB 4.34Å; V91-H95 HydrophobicContact CG1-CB 3.59Å; R92-H95 PolarHBondContact O-N 3.25Å; I93-H95 PolarHBondContact O-N 3.15Å
96V97.6Very high96.8Very high0 Ų066.1 Ų66.10%033%0.326CS..EExtended strand (participates in β ladder)trans-123.3144.6-172.3-175.40000109.3Y34 V40 I74 V91 I93Y34-V96 HydrophobicContact CE1-CG1 3.85Å; Y34-V96 VanDerWaalsContact OH-C 3.3Å; Y34-V96 PolarHBondContact OH-O 3.03Å; V40-V96 HydrophobicContact CB-CG1 3.55Å; V40-V96 HydrophobicContact CG1-CG1 3.88Å; V40-V96 HydrophobicContact CG2-CG1 3.85Å; I74-V96 HydrophobicContact CD1-CG1 4.19Å; I74-V96 HydrophobicContact CD1-CG2 3.77Å; V91-V96 HydrophobicContact CB-CG2 4.08Å; V91-V96 HydrophobicContact CG1-CG2 3.68Å; I93-V96 PolarHBondContact O-N 3.38Å
97K96.9Very high96.8Very high98 Ų9869.2 Ų69.243%0.42633%0.328SS..EExtended strand (participates in β ladder)trans-140.1148.9173.2-60.5-175.5-178-172.30109.9V40 D41V40-K97 CarbonylContact C-O 3.44Å; V40-K97 VanDerWaalsContact CA-O 3.28Å; V40-K97 WeakPolarHBondContact CA-O 3.33Å; V40-K97 WeakPolarHBondContact CB-O 3.13Å; D41-K97 PolarHBondContact N-O 2.86Å; D41-K97 PolarHBondContact O-N 3.41Å
98H97.3Very high96.7Very high62 Ų6268.5 Ų68.529%0.28732%0.323SS..EExtended strand (participates in β ladder)trans-61.8138.8168.8-74.194000111.2I33 Y34 D38I33-H98 PolarHBondContact O-CE1 3.1Å; I33-H98 PolarHBondContact O-NE2 3.25Å; Y34-H98 AromaticContact CD1-CE1 3.33Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.41Å; Y34-H98 AromaticContact CD1-NE2 3.41Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.28Å; Y34-H98 AromaticContact CE1-CE1 3.27Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.37Å; Y34-H98 AromaticContact CE1-ND1 3.59Å; Y34-H98 AromaticContact CE1-NE2 3.68Å; D38-H98 IonicContact OD2-NE2 3.79Å
99S96.3Very high96.7Very high9 Ų963.1 Ų63.16%0.06331%0.31CS..  trans-86.3121.5176.8-1660000111.2I39 D41 S101 R102I39-S99 PolarHBondContact O-N 2.91Å; D41-S99 WeakPolarHBondContact OD1-CB 3.48Å; D41-S99 PolarHBondContact OD1-OG 2.88Å; D41-S99 WeakPolarHBondContact OD2-CA 3.27Å; D41-S99 WeakPolarHBondContact OD2-CB 3.33Å; D41-S99 PolarHBondContact OD2-OG 3.13Å; D41-S99 VanDerWaalsContact OD2-OG 3.14Å; S99-S101 PolarHBondContact O-N 3.19Å; S99-S101 PolarHBondContact OG-OG 2.77Å; S99-R102 PolarHBondContact O-N 3.05Å
100K95.6Very high96.6Very high175 Ų17569.7 Ų69.776%0.76134%0.338SS*.Hα-helixtrans-67-16177.5-64.9-173.7176.7-173.20113.6R102 D103 S104K100-R102 PolarHBondContact O-N 3.2Å; K100-D103 PolarHBondContact O-N 3.38Å; K100-S104 PolarHBondContact O-N 3.37Å
101S93.7Very high96.6Very high75 Ų7569.8 Ų69.852%0.52433%0.334SS..Hα-helixtrans-61.3-33.1178.162.70000112.5S99 S104S99-S101 PolarHBondContact O-N 3.19Å; S99-S101 PolarHBondContact OG-OG 2.77Å; S101-S104 PolarHBondContact O-OG 3.35Å
102R95.2Very high96.6Very high103 Ų10371.2 Ų71.239%0.38934%0.342SS..Hα-helixtrans-79-36.2177.7-173.755.4176.4-177.62.4112I39 S99 K100 F105 L106I39-R102 HydrophobicContact CB-CB 4.4Å; I39-R102 HydrophobicContact CD1-CB 4.15Å; I39-R102 HydrophobicContact CD1-CG 4.18Å; S99-R102 PolarHBondContact O-N 3.05Å; K100-R102 PolarHBondContact O-N 3.2Å; R102-F105 WeakPolarHBondContact O-CB 3.44Å; R102-F105 PolarHBondContact O-N 3.21Å; R102-L106 HydrophobicContact CG-CD1 4.02Å; R102-L106 HydrophobicContact CG-CG 4.23Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.89Å
103D94.3Very high96.5Very high78 Ų7873.1 Ų73.142%0.41735%0.354SS..Hα-helixtrans-61.4-47-177.8-62.1-23.9000111.4K100 F105 L106 Q107K100-D103 PolarHBondContact O-N 3.38Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 2.81Å; D103-L106 PolarHBondContact O-N 2.94Å; D103-Q107 WeakPolarHBondContact O-CG 3.1Å; D103-Q107 PolarHBondContact O-N 2.9Å
104S94Very high96.5Very high68 Ų6878.5 Ų78.548%0.47638%0.376SS..Hα-helixtrans-63.2-36.8177.864.60000112.5K100 S101 R108K100-S104 PolarHBondContact O-N 3.37Å; S101-S104 PolarHBondContact O-OG 3.35Å; S104-R108 WeakPolarHBondContact O-CB 3.43Å; S104-R108 PolarHBondContact O-N 3.26Å; S104-R108 VanDerWaalsContact O-N 3.12Å
105F96.1Very high96.4Very high78 Ų7882.6 Ų82.634%0.34239%0.391SS..Hα-helixtrans-64.3-46.5173.6174-93.8000111.6R102 D103 R108 V109R102-F105 WeakPolarHBondContact O-CB 3.44Å; R102-F105 PolarHBondContact O-N 3.21Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 2.81Å; F105-R108 PolarHBondContact O-N 3.09Å; F105-V109 HydrophobicContact CD1-CG2 4.08Å; F105-V109 HydrophobicContact CE1-CG2 3.58Å; F105-V109 HydrophobicContact CE2-CG2 4.13Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3Å
106L96.1Very high96.4Very high72 Ų7288.2 Ų88.238%0.37742%0.415SS..Hα-helixtrans-65.7-39.9-179.6-70.6175.7000112.3R102 D103 R108 V109 K110R102-L106 HydrophobicContact CG-CD1 4.02Å; R102-L106 HydrophobicContact CG-CG 4.23Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.89Å; D103-L106 PolarHBondContact O-N 2.94Å; L106-R108 VanDerWaalsContact C-N 3.33Å; L106-V109 PolarHBondContact O-N 2.96Å; L106-K110 WeakPolarHBondContact O-CG 3.17Å; L106-K110 PolarHBondContact O-N 2.82Å; L106-K110 VanDerWaalsContact O-N 3.11Å
107Q96.8Very high96.4Very high136 Ų13691.5 Ų91.564%0.63644%0.436SS*.Hα-helixtrans-58-47.7173-74.5173.5-15.200110.8D103 V109 K110 E111D103-Q107 WeakPolarHBondContact O-CG 3.1Å; D103-Q107 PolarHBondContact O-N 2.9Å; Q107-V109 PolarHBondContact O-N 2.82Å; Q107-K110 PolarHBondContact O-N 2.68Å; Q107-E111 PolarHBondContact O-N 2.72Å
108R96.9Very high96.4Very high68 Ų6890.4 Ų90.426%0.25743%0.432SS..Hα-helixtrans-64.5-36.6177.4-17616960.590.41.3113.5S104 F105 L106 K110 E111 N112S104-R108 WeakPolarHBondContact O-CB 3.43Å; S104-R108 PolarHBondContact O-N 3.26Å; S104-R108 VanDerWaalsContact O-N 3.12Å; F105-R108 PolarHBondContact O-N 3.09Å; L106-R108 VanDerWaalsContact C-N 3.33Å; R108-K110 VanDerWaalsContact C-N 3.34Å; R108-E111 PolarHBondContact O-N 3.07Å; R108-N112 VanDerWaalsContact O-CB 3.26Å; R108-N112 WeakPolarHBondContact O-CB 3.29Å; R108-N112 VanDerWaalsContact O-CG 3.28Å; R108-N112 PolarHBondContact O-N 3.11Å; R108-N112 PolarHBondContact O-OD1 3.4Å
109V97.7Very high96.3Very high67 Ų6788 Ų8841%0.40642%0.422SS..Hα-helixtrans-61.2-45.3175168.20000110.5F105 L106 Q107 N112 E113F105-V109 HydrophobicContact CD1-CG2 4.08Å; F105-V109 HydrophobicContact CE1-CG2 3.58Å; F105-V109 HydrophobicContact CE2-CG2 4.13Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3Å; L106-V109 PolarHBondContact O-N 2.96Å; Q107-V109 PolarHBondContact O-N 2.82Å; V109-N112 PolarHBondContact O-N 3.14Å; V109-E113 PolarHBondContact O-N 3.29Å
110K97.4Very high96.4Very high164 Ų16496.4 Ų96.471%0.71346%0.458SS*.Hα-helixtrans-63.2-44.5177.4-68.9178.2178.9-173.80112L106 Q107 R108 E113 K114L106-K110 WeakPolarHBondContact O-CG 3.17Å; L106-K110 PolarHBondContact O-N 2.82Å; L106-K110 VanDerWaalsContact O-N 3.11Å; Q107-K110 PolarHBondContact O-N 2.68Å; R108-K110 VanDerWaalsContact C-N 3.34Å; K110-E113 PolarHBondContact O-N 3.47Å; K110-K114 PolarHBondContact O-N 3.12Å
111E97.3Very high96.4Very high112 Ų11295.4 Ų95.452%0.52346%0.456SS..Hα-helixtrans-63.6-44.4178.2-172.1-175168.300112Q107 R108 E113 K114 R115Q107-E111 PolarHBondContact O-N 2.72Å; R108-E111 PolarHBondContact O-N 3.07Å; E111-E113 VanDerWaalsContact C-N 3.33Å; E111-E113 PolarHBondContact O-N 3.45Å; E111-K114 WeakPolarHBondContact O-CB 3.11Å; E111-K114 PolarHBondContact O-N 3.44Å; E111-R115 WeakPolarHBondContact O-CG 3.11Å; E111-R115 PolarHBondContact O-N 3.23Å
112N97.8Very high96.6Very high31 Ų3199.4 Ų99.417%0.16646%0.464CS..Hα-helixtrans-62.2-40.6177.2-80.37.3000111.9R108 V109 R115 K116 L128R108-N112 VanDerWaalsContact O-CB 3.26Å; R108-N112 WeakPolarHBondContact O-CB 3.29Å; R108-N112 VanDerWaalsContact O-CG 3.28Å; R108-N112 PolarHBondContact O-N 3.11Å; R108-N112 PolarHBondContact O-OD1 3.4Å; V109-N112 PolarHBondContact O-N 3.14Å; N112-R115 PolarHBondContact O-N 3.25Å; N112-K116 WeakPolarHBondContact O-CB 3.14Å; N112-K116 PolarHBondContact O-N 3.15Å; N112-L128 HydrophobicContact CB-CD2 4.24Å; N112-L128 PolarHBondContact ND2-O 3.04Å
113E97.3Very high96.6Very high103 Ų10397.9 Ų97.948%0.48148%0.481SS..Hα-helixtrans-64.6-42.4177-165.260.1-147.700111.1V109 K110 E111 R115 K116 V117V109-E113 PolarHBondContact O-N 3.29Å; K110-E113 PolarHBondContact O-N 3.47Å; E111-E113 VanDerWaalsContact C-N 3.33Å; E111-E113 PolarHBondContact O-N 3.45Å; E113-R115 PolarHBondContact O-N 3.34Å; E113-K116 WeakPolarHBondContact O-CB 3.45Å; E113-K116 PolarHBondContact O-N 3.21Å; E113-V117 WeakPolarHBondContact O-CG2 3.34Å; E113-V117 PolarHBondContact O-N 3.29Å
114K97.2Very high96.7Very high140 Ų14098.1 Ų98.161%0.60949%0.485SS*.Hα-helixtrans-58.2-50.4174.4-171.5-176.3178.7-167.40111.5K110 E111 K116 V117 E118K110-K114 PolarHBondContact O-N 3.12Å; E111-K114 WeakPolarHBondContact O-CB 3.11Å; E111-K114 PolarHBondContact O-N 3.44Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 3.17Å; K114-V117 PolarHBondContact O-N 3.43Å; K114-E118 WeakPolarHBondContact CE-OE1 3.24Å; K114-E118 IonicContact NZ-OE1 3.98Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.19Å
115R96.3Very high96.7Very high94 Ų94104.5 Ų104.536%0.35550%0.498SS..Hα-helixtrans-60.5-37.5178.3-71.8176.664.8-169.1-4.9112.4E111 N112 E113 A119 E127 L128E111-R115 WeakPolarHBondContact O-CG 3.11Å; E111-R115 PolarHBondContact O-N 3.23Å; N112-R115 PolarHBondContact O-N 3.25Å; E113-R115 PolarHBondContact O-N 3.34Å; R115-A119 WeakPolarHBondContact O-CB 3.39Å; R115-A119 PolarHBondContact O-N 3.09Å; R115-E127 PolarHBondContact NH2-O 2.97Å; R115-L128 HydrophobicContact CB-CD2 4.17Å
116K96.9Very high96.7Very high119 Ų119103 Ų10352%0.51750%0.496SS..Hα-helixtrans-65.5-44177.7-175.5-176.1176.5-1690111.9N112 E113 K114 K120 L128N112-K116 WeakPolarHBondContact O-CB 3.14Å; N112-K116 PolarHBondContact O-N 3.15Å; E113-K116 WeakPolarHBondContact O-CB 3.45Å; E113-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 3.17Å; K116-K120 WeakPolarHBondContact O-CB 3.47Å; K116-K120 PolarHBondContact O-N 3.06Å; K116-L128 HydrophobicContact CB-CD1 4.31Å
117V97.3Very high96.7Very high70 Ų70103.2 Ų103.242%0.42450%0.495SS..Hα-helixtrans-64.5-45.9177173.80000110.6E113 K114 A119 K120 Q121E113-V117 WeakPolarHBondContact O-CG2 3.34Å; E113-V117 PolarHBondContact O-N 3.29Å; K114-V117 PolarHBondContact O-N 3.43Å; V117-A119 PolarHBondContact O-N 3.04Å; V117-K120 PolarHBondContact O-N 3.19Å; V117-Q121 WeakPolarHBondContact O-CG 3.4Å; V117-Q121 PolarHBondContact O-N 2.87Å
118E96.9Very high96.7Very high74 Ų7499.4 Ų99.435%0.34648%0.479SS..Hα-helixtrans-61.6-43177.4-71.4174.2-175.700112.5K114 Q121 K122K114-E118 WeakPolarHBondContact CE-OE1 3.24Å; K114-E118 IonicContact NZ-OE1 3.98Å; K114-E118 WeakPolarHBondContact O-CG 3.44Å; K114-E118 PolarHBondContact O-N 3.19Å; E118-Q121 PolarHBondContact O-N 3.41Å; E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 3.33Å
119A96.3Very high96.6Very high11 Ų11103.9 Ų103.99%0.09150%0.5CS..Hα-helixtrans-62.3-42.6176.800000111.6R115 V117 Q121 K122 G123 T124 V126R115-A119 WeakPolarHBondContact O-CB 3.39Å; R115-A119 PolarHBondContact O-N 3.09Å; V117-A119 PolarHBondContact O-N 3.04Å; A119-Q121 PolarHBondContact O-N 3.4Å; A119-K122 PolarHBondContact O-N 3.31Å; A119-G123 PolarHBondContact O-N 3.37Å; A119-T124 WeakPolarHBondContact CB-O 3.37Å; A119-T124 PolarHBondContact O-N 3.45Å; A119-V126 HydrophobicContact CB-CB 4.19Å; A119-V126 HydrophobicContact CB-CG2 3.62Å
120K96.7Very high96.5Very high186 Ų186109.6 Ų109.681%0.80951%0.514SS*.Hα-helixtrans-62.8-40.6175.9-172.7177.3-179.3-177.30112.1K116 V117 G123K116-K120 WeakPolarHBondContact O-CB 3.47Å; K116-K120 PolarHBondContact O-N 3.06Å; V117-K120 PolarHBondContact O-N 3.19Å; K120-G123 PolarHBondContact O-N 3.44Å
121Q96.8Very high96.5Very high155 Ų155108.4 Ų108.472%0.72451%0.511SS*.Hα-helixtrans-66.8-38.3176.9-73174.7-11.900112.4V117 E118 A119V117-Q121 WeakPolarHBondContact O-CG 3.4Å; V117-Q121 PolarHBondContact O-N 2.87Å; E118-Q121 PolarHBondContact O-N 3.41Å; A119-Q121 PolarHBondContact O-N 3.4Å
122K96.9Very high96.4Very high159 Ų159108.2 Ų108.269%0.69152%0.52SS*.Hα-helixtrans-81.9-11.3178.8-68.2177-179.61780113.8E118 A119 T124E118-K122 WeakPolarHBondContact O-CG 3.32Å; E118-K122 PolarHBondContact O-N 3.33Å; A119-K122 PolarHBondContact O-N 3.31Å; K122-T124 HydrophobicContact CB-CG2 4.29Å; K122-T124 PolarHBondContact O-N 2.71Å
123G95.5Very high96.4Very high71 Ų71113.7 Ų113.773%0.73255%0.554SS**THydrogen-bonded Turntrans69.516.8-173.500000114.1A119 K120A119-G123 PolarHBondContact O-N 3.37Å; K120-G123 PolarHBondContact O-N 3.44Å
124T96.3Very high96.3Very high82 Ų82112.2 Ų112.250%0.50356%0.56SS.*  trans-98.5151.9-179.757.60000111.3A119 K122A119-T124 WeakPolarHBondContact CB-O 3.37Å; A119-T124 PolarHBondContact O-N 3.45Å; K122-T124 HydrophobicContact CB-CG2 4.29Å; K122-T124 PolarHBondContact O-N 2.71Å
125W94.9Very high96.3Very high202 Ų202111.2 Ų111.277%0.76557%0.567SS**  trans-90.5141.8172.7-17890000110.8E127W125-E127 HydrophobicContact CH2-CB 3.71Å; W125-E127 HydrophobicContact CH2-CG 4.36Å; W125-E127 VanDerWaalsContact CH2-OE2 3.25Å; W125-E127 WeakPolarHBondContact CH2-OE2 3.28Å; W125-E127 HydrophobicContact CZ2-CB 4.48Å; W125-E127 HydrophobicContact CZ3-CB 3.98Å
126V96Very high96.3Very high47 Ų47118 Ų11829%0.28559%0.593SS.*  trans-136130.1-179.3176.10000110.5A119 L128A119-V126 HydrophobicContact CB-CB 4.19Å; A119-V126 HydrophobicContact CB-CG2 3.62Å; V126-L128 HydrophobicContact CG1-CD2 4.29Å
127E95.5Very high96.3Very high77 Ų77119.2 Ų119.236%0.3661%0.605SS.*  trans-74.3124171.4-174.856.9-109.800110.7R115 W125 K129R115-E127 PolarHBondContact NH2-O 2.97Å; W125-E127 HydrophobicContact CH2-CB 3.71Å; W125-E127 HydrophobicContact CH2-CG 4.36Å; W125-E127 VanDerWaalsContact CH2-OE2 3.25Å; W125-E127 WeakPolarHBondContact CH2-OE2 3.28Å; W125-E127 HydrophobicContact CZ2-CB 4.48Å; W125-E127 HydrophobicContact CZ3-CB 3.98Å; E127-K129 VanDerWaalsContact OE1-CB 3.24Å; E127-K129 WeakPolarHBondContact OE1-CB 3.08Å; E127-K129 WeakPolarHBondContact OE1-CG 3.45Å; E127-K129 PolarHBondContact OE1-N 3.12Å
128L96.1Very high96.3Very high56 Ų56121.1 Ų121.129%0.29363%0.628SS.*  trans-107.6-14.4-178.1-64.8176.2000112.9N112 R115 K116 V126N112-L128 HydrophobicContact CB-CD2 4.24Å; N112-L128 PolarHBondContact ND2-O 3.04Å; R115-L128 HydrophobicContact CB-CD2 4.17Å; K116-L128 HydrophobicContact CB-CD1 4.31Å; V126-L128 HydrophobicContact CG1-CD2 4.29Å
129K96.3Very high96.3Very high162 Ų162127.1 Ų127.170%0.70465%0.648SS**SBendtrans-76.8148.6176.7-63.1177.6-179172.80109.6E127E127-K129 VanDerWaalsContact OE1-CB 3.24Å; E127-K129 WeakPolarHBondContact OE1-CB 3.08Å; E127-K129 WeakPolarHBondContact OE1-CG 3.45Å; E127-K129 PolarHBondContact OE1-N 3.12Å
130R95.7Very high96.2Very high186 Ų186136.8 Ų136.870%0.70269%0.688SS**  trans-78.9139.7172.8-64.2179.6-64.4173.33.9108.5
131Q95.5Very high96.1Very high140 Ų140132.9 Ų132.965%0.65468%0.68SS**  trans-105148.2170.7-62.1-58.7-22.200109.9
132P96.9Very high96Very high108 Ų108129.6 Ų129.670%0.70167%0.674SS**PPolyproline II helixtrans-63.8167166.430.4-34.5000110.2A134P132-A134 PolarHBondContact O-N 3.47Å; P132-A134 VanDerWaalsContact O-N 3.13Å
133T96.7Very high95.9Very high145 Ų145126.6 Ų126.689%0.8967%0.669SS**PPolyproline II helixtrans-59.5119.5173.5-60.10000109.6
134A95.9Very high95.8Very high72 Ų72132.4 Ų132.460%0.59567%0.674SS**PPolyproline II helixtrans-72.1161173.800000110.9P132P132-A134 PolarHBondContact O-N 3.47Å; P132-A134 VanDerWaalsContact O-N 3.13Å
135P97.6Very high95.6Very high119 Ų119132.7 Ų132.777%0.77369%0.693SS**PPolyproline II helixtrans-50.4147.6165.1-24.835.2000110.9D137P135-D137 PolarHBondContact O-N 3.36Å
136R96.2Very high95.5Very high236 Ų236127.9 Ų127.989%0.89168%0.683SS**PPolyproline II helixtrans-64.7133.7176.5-68.5179.8177.2167.7-0.6109
137D96.3Very high95.3Very high145 Ų145133.7 Ų133.778%0.77571%0.707SS**PPolyproline II helixtrans-64.9153.3173.7-60.8-46.9000111P135 R139P135-D137 PolarHBondContact O-N 3.36Å; D137-R139 PolarHBondContact O-N 3.24Å
138A96.8Very high95.3Very high110 Ų110135.5 Ų135.591%0.90973%0.725SS**PPolyproline II helixtrans-60.6133.9172.300000109.9
139R96.8Very high95.2Very high200 Ų200140.7 Ų140.776%0.75575%0.748SS**  trans-141.5148.3177.169.6-179.9-175175.32.6111.1D137D137-R139 PolarHBondContact O-N 3.24Å
140F95.6Very high95.2Very high214 Ų214139.8 Ų139.894%0.93975%0.75SS**  trans-85.5135.2170.4-64.5-77.5000110
141V94.3Very high95.2Very high105 Ų105137.6 Ų137.664%0.63675%0.751SS**  trans-111.7118.7171.7-178.40000107
142S94.5Very high95.1Very high86 Ų86138.2 Ų138.260%0.60175%0.754SS**  trans-82.5141.4178.9-172.30000110.8K144S142-K144 PolarHBondContact OG-N 2.94Å
143T94.5Very high95.1Very high96 Ų96139.2 Ų139.259%0.58976%0.76SS**  trans-89.9-2.6172.451.20000112.9G145 N146T143-G145 PolarHBondContact O-N 3.14Å; T143-G145 VanDerWaalsContact O-N 3.13Å; T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 2.91Å; T143-N146 VanDerWaalsContact O-N 3.15Å
144K94.3Very high94.9Very high193 Ų193139.5 Ų139.584%0.83976%0.755SS**THydrogen-bonded Turntrans-68.5111.6179.6-172.3177.7-179.2178.50110.2S142 N146S142-K144 PolarHBondContact OG-N 2.94Å; K144-N146 PolarHBondContact O-N 3.12Å
145G92.1Very high94.8Very high87 Ų87141.3 Ų141.390%0.89776%0.761SS**THydrogen-bonded Turntrans72.413.1-176.200000114.1T143T143-G145 PolarHBondContact O-N 3.14Å; T143-G145 VanDerWaalsContact O-N 3.13Å
146N92.4Very high94.6Very high102 Ų102145.2 Ų145.255%0.54576%0.761SS.*  trans-143.969.2177.5-173.731.1000109.1T143 K144T143-N146 CarbonylContact O-C 3.58Å; T143-N146 PolarHBondContact O-N 2.91Å; T143-N146 VanDerWaalsContact O-N 3.15Å; K144-N146 PolarHBondContact O-N 3.12Å
147E92.2Very high94.3Very high169 Ų169140.4 Ų140.479%0.7975%0.749SS**PPolyproline II helixtrans-66.4132.4177.5-67.3-178.4174.500109.8Q149E147-Q149 PolarHBondContact O-N 2.76Å; E147-Q149 VanDerWaalsContact O-N 3.15Å
148P95.4Very high93.7Very high115 Ų115140.9 Ų140.975%0.74774%0.744SS**PPolyproline II helixtrans-58.2120.5175.2-24.134.2000110.8
149Q94.2Very high93.2Very high165 Ų165142.7 Ų142.777%0.77174%0.736SS**PPolyproline II helixtrans-79.4127.3178-170174.610.700110.3E147 L151E147-Q149 PolarHBondContact O-N 2.76Å; E147-Q149 VanDerWaalsContact O-N 3.15Å; Q149-L151 HydrophobicContact CG-CD2 4.27Å; Q149-L151 PolarHBondContact O-N 2.91Å
150L94.9Very high92.2Very high142 Ų142140.7 Ų140.774%0.74376%0.762SS**PPolyproline II helixtrans-70.6126.2168.6-176.465.4000108.9
151L95.3Very high92.1Very high140 Ų140137.1 Ų137.173%0.73375%0.754SS**  trans-112133.9174.9-62178.9000108.9Q149Q149-L151 HydrophobicContact CG-CD2 4.27Å; Q149-L151 PolarHBondContact O-N 2.91Å
152E94.9Very high92Very high154 Ų154138.7 Ų138.772%0.7276%0.76SS**  trans-115.3145.5178.5-66-17817600110.5I154E152-I154 PolarHBondContact O-N 3.01Å
153P95.7Very high91.8Very high128 Ų128141.7 Ų141.783%0.83177%0.769SS**PPolyproline II helixtrans-58.4131.1170.8-21.332.8000110.9
154I94Very high91.7Very high151 Ų151144.4 Ų144.477%0.77478%0.779SS**PPolyproline II helixtrans-70138.8175.6-56.2174.1000108.4E152E152-I154 PolarHBondContact O-N 3.01Å
155P93.8Very high91.5Very high110 Ų110141.3 Ų141.371%0.71478%0.775SS**PPolyproline II helixtrans-60.9153.8173.825.8-35000111.6E157P155-E157 PolarHBondContact O-N 3.43Å
156Y92.4Very high91.5Very high201 Ų201144.9 Ų144.979%0.78877%0.767SS**PPolyproline II helixtrans-61.4125.1174173.4-95.9000110.3F158Y156-F158 HydrophobicContact CE1-CB 4.34Å
157E89.2Confident91.4Very high135 Ų135148 Ų14863%0.63178%0.783SS**  trans-128.2131.4172.7-171177.7-178.500108.6P155 M159P155-E157 PolarHBondContact O-N 3.43Å; E157-M159 HydrophobicContact CG-CE 4.34Å; E157-M159 HydrophobicContact CG-CG 4.43Å; E157-M159 PolarHBondContact O-N 3.07Å; E157-M159 VanDerWaalsContact OE2-CE 3.24Å; E157-M159 WeakPolarHBondContact OE2-CE 3.47Å
158F84.6Confident91.3Very high155 Ų155146.4 Ų146.468%0.6878%0.783SS**  trans-85.6108.8174.8-176.2-97000109.2Y156 A160Y156-F158 HydrophobicContact CE1-CB 4.34Å; F158-A160 HydrophobicContact CE1-CB 4.22Å
159M85.3Confident91Very high148 Ų148149 Ų14973%0.72979%0.786SS**  trans-105.3125.8173.2-62.3-170.9-176.700109.8E157E157-M159 HydrophobicContact CG-CE 4.34Å; E157-M159 HydrophobicContact CG-CG 4.43Å; E157-M159 PolarHBondContact O-N 3.07Å; E157-M159 VanDerWaalsContact OE2-CE 3.24Å; E157-M159 WeakPolarHBondContact OE2-CE 3.47Å
160A77.6Confident90.7Very high159 Ų159147.5 Ų147.5100%1.31479%0.787SS**  trans-99.70175.400000111.8F158F158-A160 HydrophobicContact CE1-CB 4.22Å

Retrieved 160 of 160 residues in 345.3 ms (Link to these results)