A0A087XPZ5_POEFO Loading...

Large ribosomal subunit protein eL21

AlphaFold DB , UniProt , Accession A0A087XPZ5, Species POEFO (Poecilia formosa, Amazon molly), 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
1M65.1Low92.8Very high245 Ų245126.5 Ų126.5100%1.20765%0.654SS**  0121.90-107.9-177.8-89.300110.3
2T91.1Very high93.1Very high146 Ų146132.7 Ų132.790%0.89666%0.663SS**PPolyproline II helixtrans-90.3135.2176.539.70000111.8
3N93.5Very high93.3Very high122 Ų122136.2 Ų136.265%0.65267%0.666SS**PPolyproline II helixtrans-74.8146.3177-69-47.6000112.5
4T96.1Very high93.6Very high105 Ų105130.5 Ų130.564%0.64464%0.638SS**PPolyproline II helixtrans-61.1151178.261.90000112.9G6 R9T4-G6 PolarHBondContact O-N 3Å; T4-R9 WeakPolarHBondContact O-CD 3.45Å; T4-R9 PolarHBondContact O-NH1 3.04Å
5R95.4Very high93.8Very high250 Ų250122.4 Ų122.494%0.94360%0.598SS**  trans-97.824.6-175.8-63.4-178.4-177.8170.71.4114.4
6G96.8Very high93.9Very high39 Ų39118.9 Ų118.940%0.40259%0.59SS.*  trans-63.8140.7-17700000114.1T4 R8 R9T4-G6 PolarHBondContact O-N 3Å; G6-R8 PolarHBondContact O-N 3.31Å; G6-R8 VanDerWaalsContact O-N 3.14Å; G6-R9 WeakPolarHBondContact O-CB 3.41Å; G6-R9 PolarHBondContact O-N 3.47Å; G6-R9 VanDerWaalsContact O-N 3.11Å
7K96.3Very high94Very high174 Ų174115.3 Ų115.376%0.75757%0.568SS**THydrogen-bonded Turntrans-55.2-33.1-178.7-67.7177.2-178.9172.80113.3
8R96.1Very high94.2Very high117 Ų117113.3 Ų113.344%0.44257%0.565SS.*THydrogen-bonded Turntrans-111.519.9-178.5-60-171.977.3175.23.9113.8G6 G10 T11G6-R8 PolarHBondContact O-N 3.31Å; G6-R8 VanDerWaalsContact O-N 3.14Å; R8-G10 PolarHBondContact O-N 3.45Å; R8-T11 HydrophobicContact CB-CG2 4.45Å; R8-T11 PolarHBondContact O-N 3Å; R8-T11 PolarHBondContact O-OG1 3.31Å; R8-T11 VanDerWaalsContact O-OG1 3.04Å
9R97.1Very high94.3Very high104 Ų104115.9 Ų115.939%0.39257%0.573SS.*THydrogen-bonded Turntrans-59.8129.9173.5-173.1-170.481.7-161.78.7110.2T4 G6 K55T4-R9 WeakPolarHBondContact O-CD 3.45Å; T4-R9 PolarHBondContact O-NH1 3.04Å; G6-R9 WeakPolarHBondContact O-CB 3.41Å; G6-R9 PolarHBondContact O-N 3.47Å; G6-R9 VanDerWaalsContact O-N 3.11Å; R9-K55 PolarHBondContact O-NZ 2.96Å
10G96.2Very high94.4Very high76 Ų76120.4 Ų120.478%0.78458%0.583SS**THydrogen-bonded Turntrans71.725.7174.600000114.4R8R8-G10 PolarHBondContact O-N 3.45Å
11T97.3Very high94.5Very high13 Ų13121.1 Ų121.18%0.0858%0.583CS.*  trans-105.719.918071.60000113.6R8 Y13 M14 F15 K55R8-T11 HydrophobicContact CB-CG2 4.45Å; R8-T11 PolarHBondContact O-N 3Å; R8-T11 PolarHBondContact O-OG1 3.31Å; R8-T11 VanDerWaalsContact O-OG1 3.04Å; T11-Y13 PolarHBondContact O-N 3.39Å; T11-M14 HydrophobicContact CG2-CE 3.51Å; T11-M14 PolarHBondContact O-N 3.04Å; T11-F15 VanDerWaalsContact CB-CD2 3.45Å; T11-F15 HydrophobicContact CG2-CD2 3.94Å; T11-F15 HydrophobicContact CG2-CE2 3.8Å; T11-F15 PolarHBondContact O-N 2.91Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.26Å; T11-K55 HydrophobicContact CG2-CB 3.83Å; T11-K55 HydrophobicContact CG2-CD 3.85Å; T11-K55 HydrophobicContact CG2-CG 4.39Å
12R95.8Very high95.9Very high201 Ų201115.6 Ų115.676%0.75855%0.554SS**THydrogen-bonded Turntrans-53.4-52.7-174.8-173.7179.8-174.21782.5111.9S16R12-S16 WeakPolarHBondContact O-CB 3.43Å
13Y96.8Very high96.1Very high178 Ų178110.6 Ų110.670%0.69853%0.532SS*.THydrogen-bonded Turntrans-91.6-26.3179-54.2-68.4000113.2T11 F15 S16T11-Y13 PolarHBondContact O-N 3.39Å; Y13-F15 PolarHBondContact O-N 3.02Å; Y13-S16 PolarHBondContact O-N 3.03Å; Y13-S16 PolarHBondContact O-OG 3.17Å
14M96.7Very high96.2Very high57 Ų57110.8 Ų110.828%0.28154%0.539SS..THydrogen-bonded Turntrans-70.5-34.3-174.5-170.3-16662.100113T11 K55 H58T11-M14 HydrophobicContact CG2-CE 3.51Å; T11-M14 PolarHBondContact O-N 3.04Å; M14-K55 HydrophobicContact CE-CB 3.33Å; M14-K55 HydrophobicContact SD-CB 4.04Å; M14-H58 HydrophobicContact CE-CB 4.35Å; M14-H58 HydrophobicContact CG-CB 4.28Å; M14-H58 PolarHBondContact O-CE1 2.92Å; M14-H58 VanDerWaalsContact O-CE1 3.27Å; M14-H58 HydrophobicContact SD-CB 3.68Å
15F96.8Very high96.2Very high9 Ų9106.5 Ų106.54%0.03951%0.513CS..SBendtrans-105.97.4175.7-64.8-38.4000113T11 Y13 G46 M52 P53 K55 H58T11-F15 VanDerWaalsContact CB-CD2 3.45Å; T11-F15 HydrophobicContact CG2-CD2 3.94Å; T11-F15 HydrophobicContact CG2-CE2 3.8Å; T11-F15 PolarHBondContact O-N 2.91Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.26Å; Y13-F15 PolarHBondContact O-N 3.02Å; F15-G46 WeakPolarHBondContact O-CA 3.37Å; F15-G46 PolarHBondContact O-N 2.99Å; F15-G46 VanDerWaalsContact O-N 3.08Å; F15-M52 HydrophobicContact CD1-SD 4.41Å; F15-M52 HydrophobicContact CD2-SD 3.86Å; F15-M52 HydrophobicContact CE1-SD 4.39Å; F15-M52 HydrophobicContact CE2-SD 3.84Å; F15-M52 HydrophobicContact CG-SD 4.16Å; F15-M52 HydrophobicContact CZ-CG 4.39Å; F15-M52 HydrophobicContact CZ-SD 4.1Å; F15-P53 WeakPolarHBondContact CZ-O 3.48Å; F15-K55 HydrophobicContact CZ-CB 4.38Å; F15-H58 AromaticContact CD1-ND1 3.97Å; F15-H58 AromaticContact CE1-ND1 3.72Å
16S96Very high96.2Very high66 Ų6698 Ų9846%0.46249%0.49SS..SBendtrans-68.6158.7174.4650000110.7R12 Y13R12-S16 WeakPolarHBondContact O-CB 3.43Å; Y13-S16 PolarHBondContact O-N 3.03Å; Y13-S16 PolarHBondContact O-OG 3.17Å
17R95.9Very high96.2Very high58 Ų58102.1 Ų102.122%0.21950%0.502CS..PPolyproline II helixtrans-82.2145.5168.8-70.5-65-66.8-164.9-3.4109.2K21 T45 T47R17-K21 VanDerWaalsContact CZ-O 3.22Å; R17-K21 PolarHBondContact NE-O 3Å; R17-K21 PolarHBondContact NH2-O 3.48Å; R17-T45 WeakPolarHBondContact CD-OG1 3.47Å; R17-T45 PolarHBondContact NH1-OG1 3.14Å; R17-T47 VanDerWaalsContact CD-OG1 3.23Å; R17-T47 WeakPolarHBondContact CD-OG1 3.36Å
18P96.7Very high96.2Very high79 Ų7997.1 Ų97.151%0.51349%0.49SS..PPolyproline II helixtrans-65.1155.3173.714.6-11.4000110.7R20 K21P18-R20 PolarHBondContact O-N 3.28Å; P18-K21 HydrophobicContact CB-CB 4.28Å; P18-K21 HydrophobicContact CB-CG 4.39Å; P18-K21 HydrophobicContact CG-CB 3.76Å; P18-K21 HydrophobicContact CG-CG 4.12Å; P18-K21 WeakPolarHBondContact O-CB 3.29Å; P18-K21 PolarHBondContact O-N 2.91Å
19F97.1Very high96.2Very high163 Ų16392.4 Ų92.472%0.71547%0.474SS*.THydrogen-bonded Turntrans-53.1135.8179.2-177.8-116.9000111.6K21F19-K21 PolarHBondContact O-N 2.95Å
20R96.4Very high96.2Very high206 Ų20691.5 Ų91.578%0.77747%0.471SS*.THydrogen-bonded Turntrans52.825-176.9-62.7177.6-180175.21.6114.6P18P18-R20 PolarHBondContact O-N 3.28Å
21K95.9Very high96.2Very high135 Ų13594.8 Ų94.859%0.58747%0.468SS*.  trans-126.432.4174.3-61.4-66.2-178.5-172.10111.3R17 P18 F19R17-K21 VanDerWaalsContact CZ-O 3.22Å; R17-K21 PolarHBondContact NE-O 3Å; R17-K21 PolarHBondContact NH2-O 3.48Å; P18-K21 HydrophobicContact CB-CB 4.28Å; P18-K21 HydrophobicContact CB-CG 4.39Å; P18-K21 HydrophobicContact CG-CB 3.76Å; P18-K21 HydrophobicContact CG-CG 4.12Å; P18-K21 WeakPolarHBondContact O-CB 3.29Å; P18-K21 PolarHBondContact O-N 2.91Å; F19-K21 PolarHBondContact O-N 2.95Å
22H95.1Very high96.1Very high130 Ų13098.7 Ų98.760%0.60248%0.481SS*.  trans-78.9172.5171.8-62.1-94.1000110.6
23G94.7Very high96.2Very high41 Ų4195.4 Ų95.442%0.42348%0.477SS..SBendtrans90-154.2177.600000114.6
24P95.3Very high96.2Very high125 Ų12587.7 Ų87.781%0.81245%0.447SS*.SBendtrans-60.9143.9-172.9-19.229.9000112.8
25V95.2Very high96.3Very high15 Ų1591.6 Ų91.69%0.09146%0.462CS..PPolyproline II helixtrans-77135.4171.5-179.60000108.4T29 Y30 T47 I48V25-T29 HydrophobicContact CG1-CG2 4.05Å; V25-Y30 HydrophobicContact CB-CE2 3.94Å; V25-Y30 HydrophobicContact CG1-CE2 4.1Å; V25-T47 HydrophobicContact CG2-CG2 4.08Å; V25-I48 HydrophobicContact CG2-CG1 4.41Å
26P96.3Very high96.3Very high71 Ų7199.3 Ų99.346%0.46150%0.496SS..PPolyproline II helixtrans-62.4142.8-18024.9-34.5000112S28 T29P26-S28 PolarHBondContact O-N 3.33Å; P26-S28 VanDerWaalsContact O-N 3.14Å; P26-T29 WeakPolarHBondContact O-CB 3.23Å; P26-T29 PolarHBondContact O-N 3.36Å; P26-T29 PolarHBondContact O-OG1 3.33Å
27L96.7Very high96.4Very high126 Ų12697.1 Ų97.166%0.6648%0.483SS*.Hα-helixtrans-57-30.9-177.7-66.9176.4000113.5T29 Y30 M31L27-T29 PolarHBondContact O-N 3.08Å; L27-Y30 HydrophobicContact CD2-CD2 4.49Å; L27-Y30 PolarHBondContact O-N 2.96Å; L27-M31 HydrophobicContact CB-CE 4.06Å; L27-M31 PolarHBondContact O-N 3.29Å; L27-M31 VanDerWaalsContact O-N 3.13Å
28S96.4Very high96.4Very high70 Ų7096.7 Ų96.749%0.4949%0.485SS..Hα-helixtrans-60.7-14.4174.664.40000114.4P26 R32P26-S28 PolarHBondContact O-N 3.33Å; P26-S28 VanDerWaalsContact O-N 3.14Å; S28-R32 VanDerWaalsContact O-CG 3.28Å; S28-R32 WeakPolarHBondContact O-CG 3.5Å; S28-R32 PolarHBondContact O-NE 3.43Å
29T95.9Very high96.5Very high18 Ų1895.6 Ų95.611%0.1148%0.475CS..Hα-helixtrans-80-38.5172.7-52.30000111.2V25 P26 L27V25-T29 HydrophobicContact CG1-CG2 4.05Å; P26-T29 WeakPolarHBondContact O-CB 3.23Å; P26-T29 PolarHBondContact O-N 3.36Å; P26-T29 PolarHBondContact O-OG1 3.33Å; L27-T29 PolarHBondContact O-N 3.08Å
30Y96.2Very high96.6Very high85 Ų8587.8 Ų87.833%0.33344%0.44SS..Hα-helixtrans-76.4-36.1-177.9-61.9-80.1000112.3V25 L27 R32 I93 E94V25-Y30 HydrophobicContact CB-CE2 3.94Å; V25-Y30 HydrophobicContact CG1-CE2 4.1Å; L27-Y30 HydrophobicContact CD2-CD2 4.49Å; L27-Y30 PolarHBondContact O-N 2.96Å; Y30-R32 PolarHBondContact O-N 3.46Å; Y30-I93 HydrophobicContact CD1-CD1 4.14Å; Y30-E94 HydrophobicContact CD1-CG 4.13Å; Y30-E94 HydrophobicContact CE1-CG 3.47Å; Y30-E94 VanDerWaalsContact CE1-CG 3.47Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.4Å
31M96.4Very high96.6Very high144 Ų14480.3 Ų80.371%0.70942%0.416SS*.THydrogen-bonded Turntrans-81.79.1-177.5-59.5-173.9-65.800113.9L27 I33L27-M31 HydrophobicContact CB-CE 4.06Å; L27-M31 PolarHBondContact O-N 3.29Å; L27-M31 VanDerWaalsContact O-N 3.13Å; M31-I33 PolarHBondContact O-N 2.97Å
32R96.3Very high96.7Very high95 Ų9574 Ų7436%0.35839%0.388SS..  trans-72.8125.7177-74.6173.7-179.5-151.8-9.4110.2S28 Y30 Y34S28-R32 VanDerWaalsContact O-CG 3.28Å; S28-R32 WeakPolarHBondContact O-CG 3.5Å; S28-R32 PolarHBondContact O-NE 3.43Å; Y30-R32 PolarHBondContact O-N 3.46Å; R32-Y34 HydrophobicContact CB-CD2 4.48Å; R32-Y34 HydrophobicContact CB-CE2 3.79Å; R32-Y34 WeakPolarHBondContact O-CD2 3.26Å
33I97.1Very high96.9Very high132 Ų13273.6 Ų73.668%0.67739%0.385SS*.  trans-84.4122.5176.9-56.6171000108.4M31 K35 H98M31-I33 PolarHBondContact O-N 2.97Å; I33-K35 HydrophobicContact CG2-CG 4.48Å; I33-H98 PolarHBondContact O-CE1 2.88Å; I33-H98 PolarHBondContact O-NE2 3.48Å
34Y97.8Very high96.9Very high17 Ų1771.9 Ų71.97%0.06737%0.368CS..  trans-112.7134.7172.6-64.7-77.6000109.6R32 V40 V72 I93 V96 H98R32-Y34 HydrophobicContact CB-CD2 4.48Å; R32-Y34 HydrophobicContact CB-CE2 3.79Å; R32-Y34 WeakPolarHBondContact O-CD2 3.26Å; Y34-V40 HydrophobicContact CD1-CG1 3.77Å; Y34-V40 HydrophobicContact CE1-CG1 3.77Å; Y34-V72 HydrophobicContact CD2-CG2 3.88Å; Y34-V72 HydrophobicContact CG-CG2 4.03Å; Y34-I93 HydrophobicContact CD2-CG2 4.12Å; Y34-I93 HydrophobicContact CE2-CB 4.24Å; Y34-I93 HydrophobicContact CE2-CG2 4.03Å; Y34-V96 HydrophobicContact CE1-CG1 3.82Å; Y34-V96 VanDerWaalsContact OH-C 3.28Å; Y34-V96 PolarHBondContact OH-O 3.41Å; Y34-H98 AromaticContact CD1-CE1 3.31Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.37Å; Y34-H98 AromaticContact CD1-NE2 3.45Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.44Å; Y34-H98 AromaticContact CE1-CE1 3.25Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.46Å; Y34-H98 AromaticContact CE1-ND1 3.56Å; Y34-H98 AromaticContact CE1-NE2 3.72Å
35K97.5Very high96.9Very high138 Ų13866.7 Ų66.760%0.633%0.333SS*.  trans-115158.7175.9-62.8-176-179.9-177.60110.7I33 G37 D38 V64I33-K35 HydrophobicContact CG2-CG 4.48Å; K35-G37 PolarHBondContact O-N 3.25Å; K35-D38 WeakPolarHBondContact CA-OD2 3.3Å; K35-D38 WeakPolarHBondContact CB-OD2 3.45Å; K35-D38 PolarHBondContact N-OD2 2.92Å; K35-D38 WeakPolarHBondContact O-CB 3.28Å; K35-D38 PolarHBondContact O-N 3.35Å; K35-V64 WeakPolarHBondContact O-CB 3.46Å; K35-V64 WeakPolarHBondContact O-CG1 3.38Å
36K97.9Very high96.9Very high172 Ų17267 Ų6775%0.74834%0.34SS*.THydrogen-bonded Turntrans-61.8127.4173.9-172.1176.7179-177.70109.2Y65K36-Y65 VanDerWaalsContact CE-O 3.31Å; K36-Y65 WeakPolarHBondContact CE-O 3.49Å
37G96.6Very high96.9Very high19 Ų1966.2 Ų66.220%0.19633%0.334CS..THydrogen-bonded Turntrans97.1-7.3179.600000115.3K35 R63 V64K35-G37 PolarHBondContact O-N 3.25Å; G37-R63 VanDerWaalsContact CA-NE 3.3Å; G37-R63 WeakPolarHBondContact O-CG 3.47Å; G37-R63 PolarHBondContact O-NE 3.43Å; G37-V64 PolarHBondContact N-O 3.23Å
38D97.6Very high96.9Very high49 Ų4961.9 Ų61.926%0.26231%0.311SS..  trans-65148.2175.6-68.6-16.7000111.6K35 R63 V64 H98K35-D38 WeakPolarHBondContact CA-OD2 3.3Å; K35-D38 WeakPolarHBondContact CB-OD2 3.45Å; K35-D38 PolarHBondContact N-OD2 2.92Å; K35-D38 WeakPolarHBondContact O-CB 3.28Å; K35-D38 PolarHBondContact O-N 3.35Å; D38-R63 WeakPolarHBondContact O-CA 3.33Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.37Å; D38-H98 IonicContact OD2-NE2 3.88Å
39I97.9Very high96.9Very high56 Ų5665.4 Ų65.429%0.28732%0.32SS..EExtended strand (participates in β ladder)trans-93.9122.7175.5-58.1-175.7000108.6T61 G62 S99 R102I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; I39-G62 WeakPolarHBondContact CA-O 3.39Å; I39-S99 PolarHBondContact O-N 3.13Å; I39-R102 HydrophobicContact CB-CB 4.41Å; I39-R102 HydrophobicContact CD1-CB 4.18Å; I39-R102 HydrophobicContact CD1-CG 4.22Å
40V98.3Very high96.9Very high0 Ų071.8 Ų71.80%035%0.346CS..EExtended strand (participates in β ladder)trans-130.5143-172.9-63.40000112.1Y34 T61 G62 V64 I74 V96 K97Y34-V40 HydrophobicContact CD1-CG1 3.77Å; Y34-V40 HydrophobicContact CE1-CG1 3.77Å; V40-T61 CarbonylContact O-C 3.59Å; V40-T61 WeakPolarHBondContact O-CA 3.42Å; V40-T61 WeakPolarHBondContact O-CG2 3.16Å; V40-G62 PolarHBondContact N-O 2.84Å; V40-G62 PolarHBondContact O-N 3.5Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.91Å; V40-I74 HydrophobicContact CG2-CD1 3.68Å; V40-I74 HydrophobicContact CG2-CG1 3.88Å; V40-I74 HydrophobicContact CG2-CG2 3.95Å; V40-V96 HydrophobicContact CB-CG1 3.55Å; V40-V96 HydrophobicContact CG1-CG1 3.88Å; V40-V96 HydrophobicContact CG2-CG1 3.86Å; V40-K97 CarbonylContact C-O 3.44Å; V40-K97 VanDerWaalsContact CA-O 3.26Å; V40-K97 WeakPolarHBondContact CA-O 3.31Å; V40-K97 WeakPolarHBondContact CB-O 3.44Å
41D98.1Very high96.9Very high49 Ų4969.5 Ų69.526%0.26235%0.348SS..EExtended strand (participates in β ladder)trans-98136.1174.9-60.7-36.3000110T61 K97 S99D41-T61 WeakPolarHBondContact OD1-CB 3.39Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.38Å; D41-T61 PolarHBondContact OD1-OG1 3.19Å; D41-K97 PolarHBondContact N-O 3.42Å; D41-K97 PolarHBondContact O-N 3.43Å; D41-S99 PolarHBondContact OD1-OG 3.32Å; D41-S99 WeakPolarHBondContact OD2-CA 3.45Å; D41-S99 WeakPolarHBondContact OD2-CB 3.47Å; D41-S99 PolarHBondContact OD2-OG 2.9Å; D41-S99 VanDerWaalsContact OD2-OG 3.13Å
42I98.2Very high97Very high1 Ų164.4 Ų64.41%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-99.5116.6-177.9-61158.8000109.2P53 Y57 G59 K60 I74 V76 I89I42-P53 HydrophobicContact CG2-CB 3.79Å; I42-P53 HydrophobicContact CG2-CG 3.66Å; I42-Y57 WeakPolarHBondContact CB-O 3.4Å; I42-Y57 WeakPolarHBondContact CG2-O 3.46Å; I42-G59 PolarHBondContact O-N 3.47Å; I42-K60 WeakPolarHBondContact CB-O 3.15Å; I42-K60 PolarHBondContact N-O 3.26Å; I42-I74 HydrophobicContact CD1-CD1 4.2Å; I42-I74 HydrophobicContact CD1-CG2 4.36Å; I42-I74 HydrophobicContact CG1-CD1 3.91Å; I42-V76 HydrophobicContact CD1-CG2 3.42Å; I42-V76 VanDerWaalsContact CD1-CG2 3.42Å; I42-I89 HydrophobicContact CD1-CD1 3.75Å
43K97.4Very high97.1Very high122 Ų12260.3 Ų60.353%0.5331%0.309SS..  trans-134.698174.3-172.7166-174.7165.80109.9H95K43-H95 CarbonylContact C-O 3.58Å; K43-H95 PolarHBondContact N-O 3.43Å; K43-H95 CarbonylContact O-C 3.55Å; K43-H95 WeakPolarHBondContact O-CA 3.31Å
44G95.9Very high97.1Very high6 Ų657.8 Ų57.86%0.06229%0.294CS..  trans-59.9137.6176.400000111.8H58G44-H58 PolarHBondContact N-ND1 3.4Å
45T95.7Very high97.1Very high15 Ų1559.9 Ų59.99%0.09230%0.303CS..  trans-115.2136.6175-172.10000109.9R17 T47 I48 M52 E94 H95R17-T45 WeakPolarHBondContact CD-OG1 3.47Å; R17-T45 PolarHBondContact NH1-OG1 3.14Å; T45-T47 VanDerWaalsContact C-N 3.26Å; T45-T47 PolarHBondContact O-N 3.49Å; T45-I48 VanDerWaalsContact O-O 3.12Å; T45-M52 WeakPolarHBondContact O-CE 3.39Å; T45-E94 HydrophobicContact CG2-CB 4.34Å; T45-H95 WeakPolarHBondContact CG2-ND1 3.42Å; T45-H95 PolarHBondContact N-ND1 3.07Å; T45-H95 PolarHBondContact O-CE1 3.07Å; T45-H95 VanDerWaalsContact O-CE1 3.31Å
46G94.8Very high97.1Very high23 Ų2355.2 Ų55.224%0.23729%0.288CS..THydrogen-bonded Turntrans-68.3-18.8179.100000115.4F15F15-G46 WeakPolarHBondContact O-CA 3.37Å; F15-G46 PolarHBondContact O-N 2.99Å; F15-G46 VanDerWaalsContact O-N 3.08Å
47T95.7Very high97.1Very high54 Ų5448.3 Ų48.333%0.33126%0.257SS..THydrogen-bonded Turntrans-65.8-41-178.3-53.40000112R17 V25 T45R17-T47 VanDerWaalsContact CD-OG1 3.23Å; R17-T47 WeakPolarHBondContact CD-OG1 3.36Å; V25-T47 HydrophobicContact CG2-CG2 4.08Å; T45-T47 VanDerWaalsContact C-N 3.26Å; T45-T47 PolarHBondContact O-N 3.49Å
48I96.5Very high97.2Very high34 Ų3449.6 Ų49.617%0.17426%0.258CS..  trans-107.2122.4-179.9-55.6-58.4000108.7V25 T45 M52 E94 H95V25-I48 HydrophobicContact CG2-CG1 4.41Å; T45-I48 VanDerWaalsContact O-O 3.12Å; I48-M52 WeakPolarHBondContact O-CE 3.48Å; I48-E94 HydrophobicContact CG1-CB 4.18Å; I48-E94 HydrophobicContact CG1-CG 3.97Å; I48-H95 PolarHBondContact O-CE1 2.68Å; I48-H95 PolarHBondContact O-NE2 3.39Å
49Q96.3Very high97.1Very high145 Ų14550.1 Ų50.168%0.67828%0.275SS*.  trans-93.5-30.7-176.5-58.4-178.911.200113.1M52Q49-M52 WeakPolarHBondContact O-CB 3.46Å
50K97.3Very high97.1Very high152 Ų15252.4 Ų52.466%0.66128%0.283SS*.THydrogen-bonded Turntrans-70.8139.4-179.4-68.7-174.2177.5-1800110.4M52 R92K50-M52 PolarHBondContact O-N 3.37Å; K50-M52 VanDerWaalsContact O-N 3.15Å; K50-R92 WeakPolarHBondContact O-CD 3.25Å
51G96.5Very high97.1Very high37 Ų3755.6 Ų55.638%0.38130%0.302SS..THydrogen-bonded Turntrans60.521.2179.400000114.9R92 H95G51-R92 PolarHBondContact O-N 3.19Å; G51-H95 PolarHBondContact O-CD2 3.43Å
52M97.3Very high97.1Very high37 Ų3753.8 Ų53.818%0.18230%0.295CS..PPolyproline II helixtrans-65.8133.4176.9-175.3178.8-68.500110.8F15 T45 I48 Q49 K50 H95F15-M52 HydrophobicContact CD1-SD 4.41Å; F15-M52 HydrophobicContact CD2-SD 3.86Å; F15-M52 HydrophobicContact CE1-SD 4.39Å; F15-M52 HydrophobicContact CE2-SD 3.84Å; F15-M52 HydrophobicContact CG-SD 4.16Å; F15-M52 HydrophobicContact CZ-CG 4.39Å; F15-M52 HydrophobicContact CZ-SD 4.1Å; T45-M52 WeakPolarHBondContact O-CE 3.39Å; I48-M52 WeakPolarHBondContact O-CE 3.48Å; Q49-M52 WeakPolarHBondContact O-CB 3.46Å; K50-M52 PolarHBondContact O-N 3.37Å; K50-M52 VanDerWaalsContact O-N 3.15Å; M52-H95 WeakPolarHBondContact CA-NE2 3.48Å
53P98.1Very high97.1Very high8 Ų861.2 Ų61.25%0.05232%0.323CS..PPolyproline II helixtrans-69.4149.5176.529.6-35.4000111.1F15 I42 V91 H95F15-P53 WeakPolarHBondContact CZ-O 3.48Å; I42-P53 HydrophobicContact CG2-CB 3.79Å; I42-P53 HydrophobicContact CG2-CG 3.66Å; P53-V91 HydrophobicContact CB-CG1 4.39Å; P53-V91 HydrophobicContact CB-CG2 4.2Å; P53-V91 HydrophobicContact CG-CG1 4.36Å; P53-H95 HydrophobicContact CG-CB 4.33Å
54H98Very high97.2Very high79 Ų7955.6 Ų55.637%0.36630%0.299SS..PPolyproline II helixtrans-62.9148.6169-178.5-98.7000110.6C56 Y57H54-C56 PolarHBondContact ND1-N 3.01Å; H54-C56 PolarHBondContact ND1-SG 2.83Å; H54-C56 PolarHBondContact O-N 2.84Å; H54-Y57 HydrophobicContact CB-CD2 4.02Å; H54-Y57 HydrophobicContact CB-CE2 4.24Å; H54-Y57 PolarHBondContact O-N 2.85Å
55K97.4Very high97.3Very high61 Ų6158 Ų5827%0.26531%0.306SS..G310 helixtrans-52.1-30.8-176.260.5176.4175.6177.20115.2R9 T11 M14 F15 Y57 H58R9-K55 PolarHBondContact O-NZ 2.96Å; T11-K55 HydrophobicContact CG2-CB 3.83Å; T11-K55 HydrophobicContact CG2-CD 3.85Å; T11-K55 HydrophobicContact CG2-CG 4.39Å; M14-K55 HydrophobicContact CE-CB 3.33Å; M14-K55 HydrophobicContact SD-CB 4.04Å; F15-K55 HydrophobicContact CZ-CB 4.38Å; K55-Y57 PolarHBondContact O-N 3.2Å; K55-H58 WeakPolarHBondContact O-CB 3.47Å; K55-H58 PolarHBondContact O-N 3.38Å
56C97.5Very high97.4Very high41 Ų4160.7 Ų60.728%0.27732%0.32SS..G310 helixtrans-65.6-17.1178.569.40000114.3H54H54-C56 PolarHBondContact ND1-N 3.01Å; H54-C56 PolarHBondContact ND1-SG 2.83Å; H54-C56 PolarHBondContact O-N 2.84Å
57Y98.2Very high97.5Very high27 Ų2762.8 Ų62.811%0.10633%0.328CS..G310 helixtrans-101.6-4179.2-56-64.8000112.8I42 H54 K55 G59 K60 V76 K78 I89I42-Y57 WeakPolarHBondContact CB-O 3.4Å; I42-Y57 WeakPolarHBondContact CG2-O 3.46Å; H54-Y57 HydrophobicContact CB-CD2 4.02Å; H54-Y57 HydrophobicContact CB-CE2 4.24Å; H54-Y57 PolarHBondContact O-N 2.85Å; K55-Y57 PolarHBondContact O-N 3.2Å; Y57-G59 PolarHBondContact O-N 2.93Å; Y57-K60 WeakPolarHBondContact O-CB 3.45Å; Y57-K60 PolarHBondContact O-N 3.32Å; Y57-K60 VanDerWaalsContact O-N 3.12Å; Y57-V76 HydrophobicContact CD1-CB 4.27Å; Y57-V76 HydrophobicContact CD1-CG1 3.99Å; Y57-V76 HydrophobicContact CE1-CB 4.46Å; Y57-V76 HydrophobicContact CE1-CG1 4.47Å; Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 4.05Å; Y57-K78 HydrophobicContact CE1-CG 4.47Å; Y57-I89 HydrophobicContact CD1-CD1 4.31Å; Y57-I89 HydrophobicContact CD2-CD1 4.1Å; Y57-I89 HydrophobicContact CD2-CG2 4.29Å; Y57-I89 HydrophobicContact CE1-CG2 4.4Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 3.96Å
58H97.7Very high97.6Very high46 Ų4663.7 Ų63.721%0.21333%0.334CS..THydrogen-bonded Turntrans-63.9129.7174.7-169.2104.1000109.6M14 F15 G44 K55 K60M14-H58 HydrophobicContact CE-CB 4.35Å; M14-H58 HydrophobicContact CG-CB 4.28Å; M14-H58 PolarHBondContact O-CE1 2.92Å; M14-H58 VanDerWaalsContact O-CE1 3.27Å; M14-H58 HydrophobicContact SD-CB 3.68Å; F15-H58 AromaticContact CD1-ND1 3.97Å; F15-H58 AromaticContact CE1-ND1 3.72Å; G44-H58 PolarHBondContact N-ND1 3.4Å; K55-H58 WeakPolarHBondContact O-CB 3.47Å; K55-H58 PolarHBondContact O-N 3.38Å; H58-K60 PolarHBondContact O-N 3.3Å
59G97.1Very high97.7Very high59 Ų5970.3 Ų70.361%0.60836%0.364SS*.THydrogen-bonded Turntrans73.311.6-176.700000114.4I42 Y57I42-G59 PolarHBondContact O-N 3.47Å; Y57-G59 PolarHBondContact O-N 2.93Å
60K97.8Very high97.7Very high105 Ų10568 Ų6846%0.45735%0.353SS..  trans-93.2148.2173.2-59.9-59-177.4-176.20110.5I42 Y57 H58 V76I42-K60 WeakPolarHBondContact CB-O 3.15Å; I42-K60 PolarHBondContact N-O 3.26Å; Y57-K60 WeakPolarHBondContact O-CB 3.45Å; Y57-K60 PolarHBondContact O-N 3.32Å; Y57-K60 VanDerWaalsContact O-N 3.12Å; H58-K60 PolarHBondContact O-N 3.3Å; K60-V76 HydrophobicContact CB-CG1 3.73Å; K60-V76 HydrophobicContact CG-CG1 4.41Å
61T98.3Very high97.7Very high67 Ų6761.5 Ų61.541%0.41133%0.328SS..EExtended strand (participates in β ladder)trans-105.5144.9175.2-51.60000109.1I39 V40 D41I39-T61 HydrophobicContact CG2-CG2 3.43Å; I39-T61 VanDerWaalsContact CG2-CG2 3.43Å; V40-T61 CarbonylContact O-C 3.59Å; V40-T61 WeakPolarHBondContact O-CA 3.42Å; V40-T61 WeakPolarHBondContact O-CG2 3.16Å; D41-T61 WeakPolarHBondContact OD1-CB 3.39Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.38Å; D41-T61 PolarHBondContact OD1-OG1 3.19Å
62G97.8Very high97.8Very high10 Ų1059.9 Ų59.910%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-151-178.417900000112.3I39 V40 I75I39-G62 WeakPolarHBondContact CA-O 3.39Å; V40-G62 PolarHBondContact N-O 2.84Å; V40-G62 PolarHBondContact O-N 3.5Å; G62-I75 CarbonylContact C-O 3.57Å; G62-I75 WeakPolarHBondContact CA-O 3.17Å
63R98.3Very high97.8Very high157 Ų15758.2 Ų58.259%0.59230%0.303SS*.EExtended strand (participates in β ladder)trans-113.3135.7178.7-169.4170.8-173.4-169.2-9.9110.8G37 D38 Y65 I74 I75G37-R63 VanDerWaalsContact CA-NE 3.3Å; G37-R63 WeakPolarHBondContact O-CG 3.47Å; G37-R63 PolarHBondContact O-NE 3.43Å; D38-R63 WeakPolarHBondContact O-CA 3.33Å; R63-Y65 PolarHBondContact O-N 2.87Å; R63-I74 WeakPolarHBondContact O-CA 3.45Å; R63-I75 PolarHBondContact N-O 2.75Å; R63-I75 PolarHBondContact O-N 2.87Å
64V98.4Very high97.9Very high4 Ų457.8 Ų57.82%0.02430%0.3CS..EExtended strand (participates in β ladder)trans-68.8126.51771790000110.2K35 G37 D38 V40 V67 V72 G73K35-V64 WeakPolarHBondContact O-CB 3.46Å; K35-V64 WeakPolarHBondContact O-CG1 3.38Å; G37-V64 PolarHBondContact N-O 3.23Å; D38-V64 HydrophobicContact CB-CG2 4.27Å; D38-V64 PolarHBondContact O-N 3.37Å; V40-V64 HydrophobicContact CG1-CG2 3.79Å; V40-V64 HydrophobicContact CG2-CG2 3.91Å; V64-V67 HydrophobicContact CG1-CG2 3.81Å; V64-V72 HydrophobicContact CB-CG1 4.02Å; V64-V72 HydrophobicContact CG1-CG1 3.4Å; V64-V72 VanDerWaalsContact CG1-CG1 3.4Å; V64-V72 HydrophobicContact CG2-CG1 3.5Å; V64-G73 CarbonylContact C-O 3.5Å; V64-G73 WeakPolarHBondContact CA-O 3.47Å
65Y98.3Very high97.9Very high56 Ų5656.6 Ų56.622%0.2230%0.296CS..EExtended strand (participates in β ladder)trans-109.8-29.2175.281.8-87.3000113.1K36 R63 G73 I75 R88 N90K36-Y65 VanDerWaalsContact CE-O 3.31Å; K36-Y65 WeakPolarHBondContact CE-O 3.49Å; R63-Y65 PolarHBondContact O-N 2.87Å; Y65-G73 WeakPolarHBondContact CD1-O 3.26Å; Y65-G73 PolarHBondContact N-O 2.81Å; Y65-I75 HydrophobicContact CD1-CG1 3.86Å; Y65-I75 HydrophobicContact CG-CD1 4.25Å; Y65-I75 HydrophobicContact CG-CG1 4.09Å; Y65-R88 HydrophobicContact CD1-CG 4.31Å; Y65-R88 HydrophobicContact CE1-CB 3.98Å; Y65-R88 HydrophobicContact CE1-CG 4.08Å; Y65-N90 PolarHBondContact OH-OD1 3.48Å
66N98.1Very high97.9Very high72 Ų7253.8 Ų53.839%0.38528%0.284SS..EExtended strand (participates in β ladder)trans-141.4150.3-179.6-170.526.7000110.4G73N66-G73 PolarHBondContact N-O 3.28Å; N66-G73 PolarHBondContact O-N 3.2Å
67V98Very high97.9Very high67 Ų6757 Ų5741%0.40630%0.299SS..EExtended strand (participates in β ladder)trans-129.6128.8177.2-177.80000107.8V64V64-V67 HydrophobicContact CG1-CG2 3.81Å
68T97.4Very high97.9Very high74 Ų7459 Ų5945%0.45431%0.308SS..EExtended strand (participates in β ladder)trans-124.1173.4178.567.20000109.9H70 A71T68-H70 VanDerWaalsContact C-N 3.28Å; T68-H70 PolarHBondContact O-N 3.42Å; T68-A71 PolarHBondContact N-O 3.23Å; T68-A71 PolarHBondContact O-N 3.41Å; T68-A71 VanDerWaalsContact O-O 3.11Å; T68-A71 WeakPolarHBondContact OG1-CB 3.48Å; T68-A71 PolarHBondContact OG1-N 2.79Å; T68-A71 PolarHBondContact OG1-O 3.25Å; T68-A71 VanDerWaalsContact OG1-O 3.06Å
69Q97.2Very high97.9Very high173 Ų17363.6 Ų63.681%0.80833%0.329SS*.THydrogen-bonded Turntrans-48.9-41.5-173.7-167.9-176.41.600115.1
70H96.8Very high97.9Very high95 Ų9563.4 Ų63.444%0.4432%0.316SS..THydrogen-bonded Turntrans-127.44.2-177.2-55.4-53.3000114.2T68T68-H70 VanDerWaalsContact C-N 3.28Å; T68-H70 PolarHBondContact O-N 3.42Å
71A97.6Very high97.8Very high17 Ų1767.8 Ų67.814%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-147.1163.1-17000000112T68 V91 R92T68-A71 PolarHBondContact N-O 3.23Å; T68-A71 PolarHBondContact O-N 3.41Å; T68-A71 VanDerWaalsContact O-O 3.11Å; T68-A71 WeakPolarHBondContact OG1-CB 3.48Å; T68-A71 PolarHBondContact OG1-N 2.79Å; T68-A71 PolarHBondContact OG1-O 3.25Å; T68-A71 VanDerWaalsContact OG1-O 3.06Å; A71-V91 WeakPolarHBondContact CA-O 3.47Å; A71-V91 WeakPolarHBondContact CB-O 3.46Å; A71-R92 HydrophobicContact CB-CG 4.24Å
72V98.3Very high97.7Very high2 Ų268.7 Ų68.71%0.01236%0.358CS..EExtended strand (participates in β ladder)trans-125.9130.1-179-174.10000108.2Y34 V64 I74 V91 I93Y34-V72 HydrophobicContact CD2-CG2 3.88Å; Y34-V72 HydrophobicContact CG-CG2 4.03Å; V64-V72 HydrophobicContact CB-CG1 4.02Å; V64-V72 HydrophobicContact CG1-CG1 3.4Å; V64-V72 VanDerWaalsContact CG1-CG1 3.4Å; V64-V72 HydrophobicContact CG2-CG1 3.5Å; V72-I74 HydrophobicContact CG1-CG1 4.07Å; V72-V91 PolarHBondContact N-O 3.13Å; V72-V91 PolarHBondContact O-N 2.86Å; V72-I93 HydrophobicContact CG2-CG2 3.96Å
73G98.4Very high97.7Very high2 Ų274.6 Ų74.62%0.02138%0.38CS..EExtended strand (participates in β ladder)trans-82.5121.1169.400000109.7V64 Y65 N66 I89V64-G73 CarbonylContact C-O 3.5Å; V64-G73 WeakPolarHBondContact CA-O 3.47Å; Y65-G73 WeakPolarHBondContact CD1-O 3.26Å; Y65-G73 PolarHBondContact N-O 2.81Å; N66-G73 PolarHBondContact N-O 3.28Å; N66-G73 PolarHBondContact O-N 3.2Å; G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.33Å
74I98.6Very high97.7Very high0 Ų072.6 Ų72.60%038%0.38CS..EExtended strand (participates in β ladder)trans-120133.2-176.4-51.9167.1000109.6V40 I42 R63 V72 V76 R88 I89 V91 V96V40-I74 HydrophobicContact CG2-CD1 3.68Å; V40-I74 HydrophobicContact CG2-CG1 3.88Å; V40-I74 HydrophobicContact CG2-CG2 3.95Å; I42-I74 HydrophobicContact CD1-CD1 4.2Å; I42-I74 HydrophobicContact CD1-CG2 4.36Å; I42-I74 HydrophobicContact CG1-CD1 3.91Å; R63-I74 WeakPolarHBondContact O-CA 3.45Å; V72-I74 HydrophobicContact CG1-CG1 4.07Å; I74-V76 HydrophobicContact CB-CG2 4.29Å; I74-V76 HydrophobicContact CG2-CG2 3.64Å; I74-R88 WeakPolarHBondContact O-CA 3.49Å; I74-I89 HydrophobicContact CB-CG1 4.21Å; I74-I89 PolarHBondContact N-O 3.29Å; I74-I89 WeakPolarHBondContact O-CG1 3.33Å; I74-I89 PolarHBondContact O-N 3.25Å; I74-V91 HydrophobicContact CD1-CB 4.24Å; I74-V91 HydrophobicContact CD1-CG2 4.41Å; I74-V96 HydrophobicContact CD1-CG1 4.19Å; I74-V96 HydrophobicContact CD1-CG2 3.76Å
75I98.4Very high97.7Very high54 Ų5474.9 Ų74.928%0.27739%0.392SS..EExtended strand (participates in β ladder)trans-89119166-63.5166.2000107.7G62 R63 Y65 A86 K87 R88G62-I75 CarbonylContact C-O 3.57Å; G62-I75 WeakPolarHBondContact CA-O 3.17Å; R63-I75 PolarHBondContact N-O 2.75Å; R63-I75 PolarHBondContact O-N 2.87Å; Y65-I75 HydrophobicContact CD1-CG1 3.86Å; Y65-I75 HydrophobicContact CG-CD1 4.25Å; Y65-I75 HydrophobicContact CG-CG1 4.09Å; I75-A86 HydrophobicContact CG2-CB 3.92Å; I75-K87 WeakPolarHBondContact CA-O 3.43Å; I75-R88 HydrophobicContact CG1-CG 3.88Å
76V98.2Very high97.6Very high2 Ų275.5 Ų75.51%0.01241%0.409CS..EExtended strand (participates in β ladder)trans-124136.4-179.4-173.50000109.7I42 Y57 K60 I74 K78 K87 I89I42-V76 HydrophobicContact CD1-CG2 3.42Å; I42-V76 VanDerWaalsContact CD1-CG2 3.42Å; Y57-V76 HydrophobicContact CD1-CB 4.27Å; Y57-V76 HydrophobicContact CD1-CG1 3.99Å; Y57-V76 HydrophobicContact CE1-CB 4.46Å; Y57-V76 HydrophobicContact CE1-CG1 4.47Å; K60-V76 HydrophobicContact CB-CG1 3.73Å; K60-V76 HydrophobicContact CG-CG1 4.41Å; I74-V76 HydrophobicContact CB-CG2 4.29Å; I74-V76 HydrophobicContact CG2-CG2 3.64Å; V76-K78 PolarHBondContact O-N 2.94Å; V76-K87 PolarHBondContact N-O 2.61Å; V76-K87 PolarHBondContact O-N 3.17Å; V76-I89 HydrophobicContact CG2-CD1 3.78Å; V76-I89 HydrophobicContact CG2-CG1 4.11Å
77N97.9Very high97.6Very high109 Ų10976.2 Ų76.258%0.58341%0.409SS*.EExtended strand (participates in β ladder)trans-78.5118.4174.1-70.7-18.8000110.2I84N77-I84 HydrophobicContact CB-CG2 3.76Å
78K97.5Very high97.7Very high68 Ų6881.7 Ų81.730%0.29642%0.422SS..EExtended strand (participates in β ladder)trans-116.9121.2176.3-176-179.7179.3-179.10109.7Y57 V76 V80 L85 K87Y57-K78 HydrophobicContact CE1-CB 4.21Å; Y57-K78 HydrophobicContact CE1-CD 4.05Å; Y57-K78 HydrophobicContact CE1-CG 4.47Å; V76-K78 PolarHBondContact O-N 2.94Å; K78-V80 HydrophobicContact CD-CG2 4.28Å; K78-V80 HydrophobicContact CG-CG2 4.2Å; K78-V80 PolarHBondContact O-N 2.81Å; K78-L85 PolarHBondContact N-O 3.06Å; K78-L85 PolarHBondContact O-N 2.89Å; K78-K87 HydrophobicContact CB-CG 4.07Å
79Q97.4Very high97.7Very high143 Ų14379.2 Ų79.267%0.66841%0.406SS*.EExtended strand (participates in β ladder)trans-72126.5168.2-171.1175.8-3.200110K81 K83 I84Q79-K81 WeakPolarHBondContact CG-O 3.35Å; Q79-K81 PolarHBondContact NE2-O 2.85Å; Q79-K83 WeakPolarHBondContact CA-O 3.36Å; Q79-I84 HydrophobicContact CB-CG1 4.44Å
80V97.1Very high97.7Very high55 Ų5576.3 Ų76.333%0.33340%0.396SS..EExtended strand (participates in β ladder)trans-123.998.9174.5-178.80000107K78 G82 K83 L85K78-V80 HydrophobicContact CD-CG2 4.28Å; K78-V80 HydrophobicContact CG-CG2 4.2Å; K78-V80 PolarHBondContact O-N 2.81Å; V80-G82 PolarHBondContact O-N 2.93Å; V80-K83 PolarHBondContact N-O 2.92Å; V80-K83 PolarHBondContact O-N 2.9Å; V80-L85 HydrophobicContact CB-CD1 4.28Å; V80-L85 HydrophobicContact CG2-CD1 4.01Å
81K95.7Very high97.8Very high197 Ų19771.8 Ų71.886%0.85738%0.375SS*.THydrogen-bonded Turntrans55.3-116.8-171.8-56.1-179.8177.6-176.20110.2Q79Q79-K81 WeakPolarHBondContact CG-O 3.35Å; Q79-K81 PolarHBondContact NE2-O 2.85Å
82G96.9Very high97.8Very high85 Ų8574.3 Ų74.388%0.87638%0.381SS*.THydrogen-bonded Turntrans-84.9-1.7-176.600000116.5V80V80-G82 PolarHBondContact O-N 2.93Å
83K97.7Very high97.8Very high134 Ų13475.5 Ų75.558%0.58339%0.387SS*.EExtended strand (participates in β ladder)trans-128.1147.8-176.663.9-176.6177.9-175.60113.6Q79 V80 L85Q79-K83 WeakPolarHBondContact CA-O 3.36Å; V80-K83 PolarHBondContact N-O 2.92Å; V80-K83 PolarHBondContact O-N 2.9Å; K83-L85 HydrophobicContact CD-CD2 4.04Å; K83-L85 HydrophobicContact CG-CD2 4.19Å; K83-L85 HydrophobicContact CG-CG 4.35Å
84I97.8Very high97.7Very high116 Ų11676.2 Ų76.260%0.59539%0.389SS*.EExtended strand (participates in β ladder)trans-97.2122.5174.5-60.6173.6000108.7N77 Q79N77-I84 HydrophobicContact CB-CG2 3.76Å; Q79-I84 HydrophobicContact CB-CG1 4.44Å
85L97.8Very high97.7Very high52 Ų5276.2 Ų76.227%0.27239%0.389SS..EExtended strand (participates in β ladder)trans-111.4131.1179.1-59.2178.9000110.1K78 V80 K83 K87K78-L85 PolarHBondContact N-O 3.06Å; K78-L85 PolarHBondContact O-N 2.89Å; V80-L85 HydrophobicContact CB-CD1 4.28Å; V80-L85 HydrophobicContact CG2-CD1 4.01Å; K83-L85 HydrophobicContact CD-CD2 4.04Å; K83-L85 HydrophobicContact CG-CD2 4.19Å; K83-L85 HydrophobicContact CG-CG 4.35Å; L85-K87 HydrophobicContact CB-CG 4.44Å; L85-K87 PolarHBondContact O-N 3.36Å
86A97.8Very high97.6Very high69 Ų6973.6 Ų73.657%0.5738%0.376SS*.EExtended strand (participates in β ladder)trans-73.7103167.700000109.3I75I75-A86 HydrophobicContact CG2-CB 3.92Å
87K98.2Very high97.6Very high87 Ų8778.2 Ų78.238%0.37840%0.396SS..EExtended strand (participates in β ladder)trans-98.3132.3179.9-68.7-70.8-177.2-178.80109.9I75 V76 K78 L85I75-K87 WeakPolarHBondContact CA-O 3.43Å; V76-K87 PolarHBondContact N-O 2.61Å; V76-K87 PolarHBondContact O-N 3.17Å; K78-K87 HydrophobicContact CB-CG 4.07Å; L85-K87 HydrophobicContact CB-CG 4.44Å; L85-K87 PolarHBondContact O-N 3.36Å
88R98.3Very high97.6Very high182 Ų18276.1 Ų76.169%0.68738%0.382SS*.EExtended strand (participates in β ladder)trans-87.1128170.1-69.4176.6-176.71761.7109.3Y65 I74 I75Y65-R88 HydrophobicContact CD1-CG 4.31Å; Y65-R88 HydrophobicContact CE1-CB 3.98Å; Y65-R88 HydrophobicContact CE1-CG 4.08Å; I74-R88 WeakPolarHBondContact O-CA 3.49Å; I75-R88 HydrophobicContact CG1-CG 3.88Å
89I97.9Very high97.5Very high21 Ų2173.3 Ų73.311%0.10837%0.371CS..EExtended strand (participates in β ladder)trans-131.6147.8175.960172.2000109.9I42 Y57 G73 I74 V76 V91I42-I89 HydrophobicContact CD1-CD1 3.75Å; Y57-I89 HydrophobicContact CD1-CD1 4.31Å; Y57-I89 HydrophobicContact CD2-CD1 4.1Å; Y57-I89 HydrophobicContact CD2-CG2 4.29Å; Y57-I89 HydrophobicContact CE1-CG2 4.4Å; Y57-I89 HydrophobicContact CE2-CG2 3.73Å; Y57-I89 HydrophobicContact CG-CD1 3.96Å; G73-I89 CarbonylContact C-O 3.59Å; G73-I89 WeakPolarHBondContact CA-O 3.33Å; I74-I89 HydrophobicContact CB-CG1 4.21Å; I74-I89 PolarHBondContact N-O 3.29Å; I74-I89 WeakPolarHBondContact O-CG1 3.33Å; I74-I89 PolarHBondContact O-N 3.25Å; V76-I89 HydrophobicContact CG2-CD1 3.78Å; V76-I89 HydrophobicContact CG2-CG1 4.11Å; I89-V91 HydrophobicContact CB-CG2 4.36Å; I89-V91 HydrophobicContact CD1-CG2 3.61Å; I89-V91 HydrophobicContact CG1-CG2 3.87Å
90N98.1Very high97.4Very high112 Ų11274.7 Ų74.760%0.59938%0.375SS*.EExtended strand (participates in β ladder)trans-106.2120.8173.9-62.1-24.3000108Y65Y65-N90 PolarHBondContact OH-OD1 3.48Å
91V98.1Very high97.3Very high1 Ų175.6 Ų75.61%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-131.6135.9-173.1-176.90000108.6P53 A71 V72 I74 I89 H95 V96P53-V91 HydrophobicContact CB-CG1 4.39Å; P53-V91 HydrophobicContact CB-CG2 4.2Å; P53-V91 HydrophobicContact CG-CG1 4.36Å; A71-V91 WeakPolarHBondContact CA-O 3.47Å; A71-V91 WeakPolarHBondContact CB-O 3.46Å; V72-V91 PolarHBondContact N-O 3.13Å; V72-V91 PolarHBondContact O-N 2.86Å; I74-V91 HydrophobicContact CD1-CB 4.24Å; I74-V91 HydrophobicContact CD1-CG2 4.41Å; I89-V91 HydrophobicContact CB-CG2 4.36Å; I89-V91 HydrophobicContact CD1-CG2 3.61Å; I89-V91 HydrophobicContact CG1-CG2 3.87Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; V91-V96 HydrophobicContact CB-CG2 4.12Å; V91-V96 HydrophobicContact CG1-CG2 3.73Å
92R98.1Very high97.3Very high70 Ų7071.2 Ų71.226%0.26436%0.362SS..EExtended strand (participates in β ladder)trans-71.4154.5176.1-81.7-166.5171-150.8-6.2112.9K50 G51 A71 E94 H95 V96K50-R92 WeakPolarHBondContact O-CD 3.25Å; G51-R92 PolarHBondContact O-N 3.19Å; A71-R92 HydrophobicContact CB-CG 4.24Å; R92-E94 WeakPolarHBondContact CB-OE2 3.47Å; R92-E94 IonicContact NH1-OE1 2.68Å; R92-E94 PolarHBondContact O-N 2.9Å; R92-H95 PolarHBondContact O-N 3.05Å; R92-H95 VanDerWaalsContact O-N 3.08Å; R92-V96 WeakPolarHBondContact O-CG2 3.5Å
93I97.4Very high97.2Very high27 Ų2770.8 Ų70.814%0.13834%0.34CS..G310 helixtrans-59.9-28.3-172.557.6178.4000114.3Y30 Y34 V72 H95 V96Y30-I93 HydrophobicContact CD1-CD1 4.14Å; Y34-I93 HydrophobicContact CD2-CG2 4.12Å; Y34-I93 HydrophobicContact CE2-CB 4.24Å; Y34-I93 HydrophobicContact CE2-CG2 4.03Å; V72-I93 HydrophobicContact CG2-CG2 3.96Å; I93-H95 PolarHBondContact O-N 3.45Å; I93-V96 PolarHBondContact O-N 3.06Å; I93-V96 VanDerWaalsContact O-N 3.16Å
94E97.5Very high97.1Very high16 Ų1667.7 Ų67.78%0.07534%0.335CS..G310 helixtrans-67.5-19.6179.3-52.193.7140.600112.6Y30 T45 I48 R92Y30-E94 HydrophobicContact CD1-CG 4.13Å; Y30-E94 HydrophobicContact CE1-CG 3.47Å; Y30-E94 VanDerWaalsContact CE1-CG 3.47Å; Y30-E94 WeakPolarHBondContact CE1-OE1 3.4Å; T45-E94 HydrophobicContact CG2-CB 4.34Å; I48-E94 HydrophobicContact CG1-CB 4.18Å; I48-E94 HydrophobicContact CG1-CG 3.97Å; R92-E94 WeakPolarHBondContact CB-OE2 3.47Å; R92-E94 IonicContact NH1-OE1 2.68Å; R92-E94 PolarHBondContact O-N 2.9Å
95H97.9Very high97Very high0 Ų065.8 Ų65.80%032%0.323CS..G310 helixtrans-100.43.8179.2-54.7-42.9000113.3K43 T45 I48 G51 M52 P53 V91 R92 I93K43-H95 CarbonylContact C-O 3.58Å; K43-H95 PolarHBondContact N-O 3.43Å; K43-H95 CarbonylContact O-C 3.55Å; K43-H95 WeakPolarHBondContact O-CA 3.31Å; T45-H95 WeakPolarHBondContact CG2-ND1 3.42Å; T45-H95 PolarHBondContact N-ND1 3.07Å; T45-H95 PolarHBondContact O-CE1 3.07Å; T45-H95 VanDerWaalsContact O-CE1 3.31Å; I48-H95 PolarHBondContact O-CE1 2.68Å; I48-H95 PolarHBondContact O-NE2 3.39Å; G51-H95 PolarHBondContact O-CD2 3.43Å; M52-H95 WeakPolarHBondContact CA-NE2 3.48Å; P53-H95 HydrophobicContact CG-CB 4.33Å; V91-H95 HydrophobicContact CG1-CB 3.61Å; R92-H95 PolarHBondContact O-N 3.05Å; R92-H95 VanDerWaalsContact O-N 3.08Å; I93-H95 PolarHBondContact O-N 3.45Å
96V97.5Very high96.9Very high0 Ų066.8 Ų66.80%033%0.328CS..EExtended strand (participates in β ladder)trans-122.4144.7-172.8-175.60000109.3Y34 V40 I74 V91 R92 I93Y34-V96 HydrophobicContact CE1-CG1 3.82Å; Y34-V96 VanDerWaalsContact OH-C 3.28Å; Y34-V96 PolarHBondContact OH-O 3.41Å; V40-V96 HydrophobicContact CB-CG1 3.55Å; V40-V96 HydrophobicContact CG1-CG1 3.88Å; V40-V96 HydrophobicContact CG2-CG1 3.86Å; I74-V96 HydrophobicContact CD1-CG1 4.19Å; I74-V96 HydrophobicContact CD1-CG2 3.76Å; V91-V96 HydrophobicContact CB-CG2 4.12Å; V91-V96 HydrophobicContact CG1-CG2 3.73Å; R92-V96 WeakPolarHBondContact O-CG2 3.5Å; I93-V96 PolarHBondContact O-N 3.06Å; I93-V96 VanDerWaalsContact O-N 3.16Å
97K96.8Very high96.9Very high98 Ų9870 Ų7043%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-139.6149.3173.6-58.7-173.5-179.5-172.80109.9V40 D41V40-K97 CarbonylContact C-O 3.44Å; V40-K97 VanDerWaalsContact CA-O 3.26Å; V40-K97 WeakPolarHBondContact CA-O 3.31Å; V40-K97 WeakPolarHBondContact CB-O 3.44Å; D41-K97 PolarHBondContact N-O 3.42Å; D41-K97 PolarHBondContact O-N 3.43Å
98H97.3Very high96.8Very high65 Ų6569.2 Ų69.230%0.30133%0.326SS..EExtended strand (participates in β ladder)trans-63.4139.4169-7591.6000111I33 Y34 D38I33-H98 PolarHBondContact O-CE1 2.88Å; I33-H98 PolarHBondContact O-NE2 3.48Å; Y34-H98 AromaticContact CD1-CE1 3.31Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.37Å; Y34-H98 AromaticContact CD1-NE2 3.45Å; Y34-H98 WeakPolarHBondContact CD1-NE2 3.44Å; Y34-H98 AromaticContact CE1-CE1 3.25Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.46Å; Y34-H98 AromaticContact CE1-ND1 3.56Å; Y34-H98 AromaticContact CE1-NE2 3.72Å; D38-H98 IonicContact OD2-NE2 3.88Å
99S96.4Very high96.8Very high9 Ų962.8 Ų62.86%0.06331%0.306CS..  trans-86.8120.4176.6-165.40000111.2I39 D41 S101 R102I39-S99 PolarHBondContact O-N 3.13Å; D41-S99 PolarHBondContact OD1-OG 3.32Å; D41-S99 WeakPolarHBondContact OD2-CA 3.45Å; D41-S99 WeakPolarHBondContact OD2-CB 3.47Å; D41-S99 PolarHBondContact OD2-OG 2.9Å; D41-S99 VanDerWaalsContact OD2-OG 3.13Å; S99-S101 PolarHBondContact O-N 2.94Å; S99-S101 PolarHBondContact OG-OG 2.78Å; S99-R102 PolarHBondContact O-N 2.81Å
100K95.8Very high96.8Very high173 Ų17369 Ų6975%0.75233%0.333SS*.Hα-helixtrans-66-15.9177.4-65.9-174.4175.9-1730113.6R102 D103 S104K100-R102 PolarHBondContact O-N 2.95Å; K100-D103 PolarHBondContact O-N 3.12Å; K100-S104 PolarHBondContact O-N 3.09Å
101S93.9Very high96.8Very high73 Ų7367.3 Ų67.351%0.5132%0.321SS..Hα-helixtrans-61.3-33.5177.962.70000112.5S99 S104S99-S101 PolarHBondContact O-N 2.94Å; S99-S101 PolarHBondContact OG-OG 2.78Å; S101-S104 PolarHBondContact O-OG 3.19Å
102R95.6Very high96.8Very high105 Ų10569 Ų6940%0.39633%0.33SS..Hα-helixtrans-78.5-36.1177.5-17455.7177.4-177.83.1111.9I39 S99 K100 F105 L106I39-R102 HydrophobicContact CB-CB 4.41Å; I39-R102 HydrophobicContact CD1-CB 4.18Å; I39-R102 HydrophobicContact CD1-CG 4.22Å; S99-R102 PolarHBondContact O-N 2.81Å; K100-R102 PolarHBondContact O-N 2.95Å; R102-F105 WeakPolarHBondContact O-CB 3.49Å; R102-F105 PolarHBondContact O-N 2.88Å; R102-L106 HydrophobicContact CG-CD1 4.02Å; R102-L106 HydrophobicContact CG-CG 4.23Å; R102-L106 WeakPolarHBondContact O-CG 3.28Å; R102-L106 PolarHBondContact O-N 3.4Å
103D94.9Very high96.7Very high76 Ų7671.9 Ų71.941%0.40635%0.347SS..Hα-helixtrans-61.3-47.1-178.3-61.6-23.7000111.4K100 F105 L106 Q107K100-D103 PolarHBondContact O-N 3.12Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 3.36Å; D103-L106 PolarHBondContact O-N 3.18Å; D103-Q107 WeakPolarHBondContact O-CG 3.18Å; D103-Q107 PolarHBondContact O-N 2.8Å
104S95.1Very high96.7Very high69 Ų6977.6 Ų77.648%0.48337%0.366SS..Hα-helixtrans-63.5-36.5178.165.40000112.5K100 S101 R108K100-S104 PolarHBondContact O-N 3.09Å; S101-S104 PolarHBondContact O-OG 3.19Å; S104-R108 WeakPolarHBondContact O-CB 3.47Å; S104-R108 PolarHBondContact O-N 3.25Å; S104-R108 VanDerWaalsContact O-N 3.14Å
105F96.5Very high96.7Very high77 Ų7780.5 Ų80.534%0.33838%0.379SS..Hα-helixtrans-64.6-46.9173.6174.5-94.2000111.6R102 D103 R108 V109R102-F105 WeakPolarHBondContact O-CB 3.49Å; R102-F105 PolarHBondContact O-N 2.88Å; D103-F105 VanDerWaalsContact C-N 3.3Å; D103-F105 PolarHBondContact O-N 3.36Å; F105-R108 PolarHBondContact O-N 3.18Å; F105-V109 HydrophobicContact CD1-CG2 4.06Å; F105-V109 HydrophobicContact CE1-CG2 3.55Å; F105-V109 HydrophobicContact CE2-CG2 4.12Å; F105-V109 HydrophobicContact CZ-CG2 3.59Å; F105-V109 WeakPolarHBondContact O-CG2 3.33Å; F105-V109 PolarHBondContact O-N 3.24Å
106L96.4Very high96.6Very high72 Ų7287.1 Ų87.138%0.37741%0.408SS..Hα-helixtrans-65-40-179.7-70.8175.5000112.2R102 D103 R108 V109 K110R102-L106 HydrophobicContact CG-CD1 4.02Å; R102-L106 HydrophobicContact CG-CG 4.23Å; R102-L106 WeakPolarHBondContact O-CG 3.28Å; R102-L106 PolarHBondContact O-N 3.4Å; D103-L106 PolarHBondContact O-N 3.18Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.13Å; L106-V109 PolarHBondContact O-N 3.08Å; L106-K110 WeakPolarHBondContact O-CG 3.47Å; L106-K110 PolarHBondContact O-N 3.37Å; L106-K110 VanDerWaalsContact O-N 3.13Å
107Q97Very high96.6Very high137 Ų13792.3 Ų92.364%0.6444%0.435SS*.Hα-helixtrans-58.2-46.2173.1-74.1173.3-14.500111D103 V109 K110 E111D103-Q107 WeakPolarHBondContact O-CG 3.18Å; D103-Q107 PolarHBondContact O-N 2.8Å; Q107-V109 PolarHBondContact O-N 3.16Å; Q107-K110 PolarHBondContact O-N 2.82Å; Q107-E111 PolarHBondContact O-N 3.46Å
108R97.1Very high96.6Very high71 Ų7191.4 Ų91.427%0.26843%0.432SS..Hα-helixtrans-66-36.6177.4-175.9167.359.895.31.8113.5S104 F105 L106 E111 N112S104-R108 WeakPolarHBondContact O-CB 3.47Å; S104-R108 PolarHBondContact O-N 3.25Å; S104-R108 VanDerWaalsContact O-N 3.14Å; F105-R108 PolarHBondContact O-N 3.18Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.13Å; R108-E111 PolarHBondContact O-N 3.26Å; R108-N112 VanDerWaalsContact O-CB 3.3Å; R108-N112 WeakPolarHBondContact O-CB 3.42Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3Å; R108-N112 PolarHBondContact O-OD1 3.19Å
109V97.9Very high96.6Very high47 Ų4788.9 Ų88.929%0.28542%0.422SS..Hα-helixtrans-60.1-48.4174.9168.70000110.3F105 L106 Q107 E111 N112 E113F105-V109 HydrophobicContact CD1-CG2 4.06Å; F105-V109 HydrophobicContact CE1-CG2 3.55Å; F105-V109 HydrophobicContact CE2-CG2 4.12Å; F105-V109 HydrophobicContact CZ-CG2 3.59Å; F105-V109 WeakPolarHBondContact O-CG2 3.33Å; F105-V109 PolarHBondContact O-N 3.24Å; L106-V109 PolarHBondContact O-N 3.08Å; Q107-V109 PolarHBondContact O-N 3.16Å; V109-E111 PolarHBondContact O-N 3.22Å; V109-N112 PolarHBondContact O-N 3.35Å; V109-E113 WeakPolarHBondContact O-CG 3.39Å; V109-E113 PolarHBondContact O-N 3.49Å
110K97.6Very high96.6Very high151 Ų15196.9 Ų96.966%0.65746%0.456SS*.Hα-helixtrans-61-43.4177.3-69.1178.6176.7-173.10112.2L106 Q107 E113 R114L106-K110 WeakPolarHBondContact O-CG 3.47Å; L106-K110 PolarHBondContact O-N 3.37Å; L106-K110 VanDerWaalsContact O-N 3.13Å; Q107-K110 PolarHBondContact O-N 2.82Å; K110-E113 PolarHBondContact O-N 2.91Å; K110-R114 PolarHBondContact O-N 2.65Å; K110-R114 VanDerWaalsContact O-N 3.08Å
111E97.5Very high96.7Very high77 Ų7795.8 Ų95.836%0.3645%0.453SS..Hα-helixtrans-63.9-42.2178-167.6-168.7156.900112Q107 R108 V109 R114 K115Q107-E111 PolarHBondContact O-N 3.46Å; R108-E111 PolarHBondContact O-N 3.26Å; V109-E111 PolarHBondContact O-N 3.22Å; E111-R114 PolarHBondContact O-N 2.72Å; E111-K115 HydrophobicContact CG-CD 4.44Å; E111-K115 WeakPolarHBondContact O-CG 3.48Å; E111-K115 PolarHBondContact O-N 2.99Å; E111-K115 VanDerWaalsContact OE1-CE 3.28Å; E111-K115 WeakPolarHBondContact OE1-CE 3.37Å; E111-K115 IonicContact OE1-NZ 3.81Å; E111-K115 PolarHBondContact OE1-NZ 3.15Å
112N97.9Very high96.8Very high36 Ų3699.9 Ų99.919%0.19346%0.462CS..Hα-helixtrans-65.3-39.9177.5-79.15.7000111.9R108 V109 R114 K115 K116 L128R108-N112 VanDerWaalsContact O-CB 3.3Å; R108-N112 WeakPolarHBondContact O-CB 3.42Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3Å; R108-N112 PolarHBondContact O-OD1 3.19Å; V109-N112 PolarHBondContact O-N 3.35Å; N112-R114 VanDerWaalsContact C-N 3.35Å; N112-K115 PolarHBondContact O-N 3.05Å; N112-K116 VanDerWaalsContact O-CB 3.29Å; N112-K116 WeakPolarHBondContact O-CB 3.15Å; N112-K116 PolarHBondContact O-N 3.26Å; N112-L128 HydrophobicContact CB-CD2 4.25Å; N112-L128 PolarHBondContact ND2-O 3.47Å
113E97.4Very high96.8Very high131 Ų13198.2 Ų98.261%0.61248%0.478SS*.Hα-helixtrans-61.7-43.3174.5-78.2175.9176.300111.6V109 K110 K116 L117V109-E113 WeakPolarHBondContact O-CG 3.39Å; V109-E113 PolarHBondContact O-N 3.49Å; K110-E113 PolarHBondContact O-N 2.91Å; E113-K116 PolarHBondContact O-N 3.27Å; E113-L117 PolarHBondContact O-N 2.93Å
114R97.1Very high96.9Very high147 Ų14798.7 Ų98.756%0.55548%0.483SS*.Hα-helixtrans-59.7-51.7174.7-172.9-174.567.9-168.9-1.6111.6K110 E111 N112 K116 L117 E118K110-R114 PolarHBondContact O-N 2.65Å; K110-R114 VanDerWaalsContact O-N 3.08Å; E111-R114 PolarHBondContact O-N 2.72Å; N112-R114 VanDerWaalsContact C-N 3.35Å; R114-K116 VanDerWaalsContact C-N 3.28Å; R114-K116 PolarHBondContact O-N 3.37Å; R114-L117 PolarHBondContact O-N 3.14Å; R114-L117 VanDerWaalsContact O-N 3.17Å; R114-E118 WeakPolarHBondContact CG-OE1 3.45Å; R114-E118 IonicContact NE-OE1 3.68Å; R114-E118 WeakPolarHBondContact O-CG 3.4Å; R114-E118 PolarHBondContact O-N 3.31Å
115K96.6Very high96.9Very high76 Ų76105 Ų10533%0.3350%0.497SS..Hα-helixtrans-58.6-39.6178.2-75.4174169.91700112.2E111 N112 A119 L128E111-K115 HydrophobicContact CG-CD 4.44Å; E111-K115 WeakPolarHBondContact O-CG 3.48Å; E111-K115 PolarHBondContact O-N 2.99Å; E111-K115 VanDerWaalsContact OE1-CE 3.28Å; E111-K115 WeakPolarHBondContact OE1-CE 3.37Å; E111-K115 IonicContact OE1-NZ 3.81Å; E111-K115 PolarHBondContact OE1-NZ 3.15Å; N112-K115 PolarHBondContact O-N 3.05Å; K115-A119 VanDerWaalsContact O-CB 3.23Å; K115-A119 WeakPolarHBondContact O-CB 3.39Å; K115-A119 PolarHBondContact O-N 3.08Å; K115-L128 HydrophobicContact CB-CD2 4.11Å
116K97Very high96.9Very high140 Ų140103.9 Ų103.961%0.60950%0.496SS*.Hα-helixtrans-64.2-42.3177.5-173.6-179.2-179.3-177.20111.9N112 E113 R114 K120 L128N112-K116 VanDerWaalsContact O-CB 3.29Å; N112-K116 WeakPolarHBondContact O-CB 3.15Å; N112-K116 PolarHBondContact O-N 3.26Å; E113-K116 PolarHBondContact O-N 3.27Å; R114-K116 VanDerWaalsContact C-N 3.28Å; R114-K116 PolarHBondContact O-N 3.37Å; K116-K120 WeakPolarHBondContact O-CB 3.44Å; K116-K120 PolarHBondContact O-N 2.95Å; K116-L128 HydrophobicContact CB-CD1 4.32Å
117L97.2Very high96.9Very high108 Ų108104.7 Ų104.757%0.56550%0.498SS*.Hα-helixtrans-65.5-47.3178-172.571.1000111.2E113 R114 A119 K120 Q121E113-L117 PolarHBondContact O-N 2.93Å; R114-L117 PolarHBondContact O-N 3.14Å; R114-L117 VanDerWaalsContact O-N 3.17Å; L117-A119 PolarHBondContact O-N 3.4Å; L117-K120 PolarHBondContact O-N 3.19Å; L117-Q121 WeakPolarHBondContact O-CG 3.47Å; L117-Q121 PolarHBondContact O-N 3.14Å
118E97Very high96.8Very high80 Ų80100.7 Ų100.737%0.37448%0.48SS..Hα-helixtrans-60.6-43.9177.8-71.3172-167.400112R114 Q121 K122R114-E118 WeakPolarHBondContact CG-OE1 3.45Å; R114-E118 IonicContact NE-OE1 3.68Å; R114-E118 WeakPolarHBondContact O-CG 3.4Å; R114-E118 PolarHBondContact O-N 3.31Å; E118-Q121 PolarHBondContact O-N 3.48Å; E118-K122 WeakPolarHBondContact O-CG 3.17Å; E118-K122 PolarHBondContact O-N 3.43Å
119A96.6Very high96.8Very high11 Ų11105.1 Ų105.19%0.09150%0.502CS..Hα-helixtrans-63.6-41.4177.400000111.7K115 L117 Q121 K122 G123 T124 V126K115-A119 VanDerWaalsContact O-CB 3.23Å; K115-A119 WeakPolarHBondContact O-CB 3.39Å; K115-A119 PolarHBondContact O-N 3.08Å; L117-A119 PolarHBondContact O-N 3.4Å; A119-Q121 PolarHBondContact O-N 3.31Å; A119-K122 PolarHBondContact O-N 3.04Å; A119-G123 PolarHBondContact O-N 3.36Å; A119-T124 WeakPolarHBondContact CB-O 3.16Å; A119-T124 PolarHBondContact O-N 3.43Å; A119-V126 HydrophobicContact CB-CB 4.17Å; A119-V126 HydrophobicContact CB-CG1 3.57Å
120K96.8Very high96.7Very high178 Ų178111.7 Ų111.777%0.77452%0.521SS*.Hα-helixtrans-62.7-40.6175.3-174.3176.4-179.9-177.10112.2K116 L117 G123K116-K120 WeakPolarHBondContact O-CB 3.44Å; K116-K120 PolarHBondContact O-N 2.95Å; L117-K120 PolarHBondContact O-N 3.19Å; K120-G123 PolarHBondContact O-N 3.11Å
121Q96.9Very high96.6Very high150 Ų150111.1 Ų111.170%0.70152%0.521SS*.Hα-helixtrans-67-38.3176.9-72.9174.4-11.100112.3L117 E118 A119 G123L117-Q121 WeakPolarHBondContact O-CG 3.47Å; L117-Q121 PolarHBondContact O-N 3.14Å; E118-Q121 PolarHBondContact O-N 3.48Å; A119-Q121 PolarHBondContact O-N 3.31Å; Q121-G123 VanDerWaalsContact C-N 3.34Å
122K97Very high96.6Very high159 Ų159112.5 Ų112.569%0.69154%0.537SS*.Hα-helixtrans-81.2-11.3178.5-67.9177.7-178.7179.10113.9E118 A119 T124E118-K122 WeakPolarHBondContact O-CG 3.17Å; E118-K122 PolarHBondContact O-N 3.43Å; A119-K122 PolarHBondContact O-N 3.04Å; K122-T124 HydrophobicContact CB-CG2 4.25Å; K122-T124 PolarHBondContact O-N 3.2Å
123G95.6Very high96.5Very high70 Ų70115.5 Ų115.572%0.72257%0.566SS**THydrogen-bonded Turntrans69.317-173.200000114.1A119 K120 Q121A119-G123 PolarHBondContact O-N 3.36Å; K120-G123 PolarHBondContact O-N 3.11Å; Q121-G123 VanDerWaalsContact C-N 3.34Å
124T96.6Very high96.5Very high85 Ų85114.2 Ų114.252%0.52157%0.569SS.*  trans-97.3154.6179.957.50000111.4A119 K122A119-T124 WeakPolarHBondContact CB-O 3.16Å; A119-T124 PolarHBondContact O-N 3.43Å; K122-T124 HydrophobicContact CB-CG2 4.25Å; K122-T124 PolarHBondContact O-N 3.2Å
125W95.2Very high96.5Very high203 Ų203112.9 Ų112.977%0.76958%0.58SS**  trans-91.5143.9172-178.387.9000110.8E127W125-E127 HydrophobicContact CH2-CB 3.67Å; W125-E127 HydrophobicContact CH2-CG 4.31Å; W125-E127 VanDerWaalsContact CH2-OE2 3.26Å; W125-E127 WeakPolarHBondContact CH2-OE2 3.23Å; W125-E127 HydrophobicContact CZ2-CB 4.42Å; W125-E127 HydrophobicContact CZ3-CB 3.97Å
126V96.3Very high96.5Very high52 Ų52120.6 Ų120.632%0.31561%0.607SS.*  trans-135.2132.4178.961.90000111A119 L128A119-V126 HydrophobicContact CB-CB 4.17Å; A119-V126 HydrophobicContact CB-CG1 3.57Å; V126-L128 HydrophobicContact CG1-CD2 4.11Å; V126-L128 HydrophobicContact CG1-CG 4.29Å; V126-L128 HydrophobicContact CG2-CD2 4.34Å
127E95.8Very high96.5Very high90 Ų90122 Ų12242%0.42162%0.616SS.*  trans-78.3121.8172.1-175.455.4-106.100110.1W125 K129W125-E127 HydrophobicContact CH2-CB 3.67Å; W125-E127 HydrophobicContact CH2-CG 4.31Å; W125-E127 VanDerWaalsContact CH2-OE2 3.26Å; W125-E127 WeakPolarHBondContact CH2-OE2 3.23Å; W125-E127 HydrophobicContact CZ2-CB 4.42Å; W125-E127 HydrophobicContact CZ3-CB 3.97Å; E127-K129 VanDerWaalsContact OE1-CB 3.26Å; E127-K129 WeakPolarHBondContact OE1-CB 3.11Å; E127-K129 PolarHBondContact OE1-N 3.44Å
128L96.4Very high96.5Very high53 Ų53122.1 Ų122.128%0.27763%0.632SS.*  trans-107.1-13.8-177.7-64.3176.1000112.9N112 K115 K116 V126N112-L128 HydrophobicContact CB-CD2 4.25Å; N112-L128 PolarHBondContact ND2-O 3.47Å; K115-L128 HydrophobicContact CB-CD2 4.11Å; K116-L128 HydrophobicContact CB-CD1 4.32Å; V126-L128 HydrophobicContact CG1-CD2 4.11Å; V126-L128 HydrophobicContact CG1-CG 4.29Å; V126-L128 HydrophobicContact CG2-CD2 4.34Å
129K96.5Very high96.4Very high164 Ų164125.2 Ų125.271%0.71365%0.646SS**SBendtrans-77.2145.6177.2-63178.1-178.61730109.3E127E127-K129 VanDerWaalsContact OE1-CB 3.26Å; E127-K129 WeakPolarHBondContact OE1-CB 3.11Å; E127-K129 PolarHBondContact OE1-N 3.44Å
130R96.1Very high96.4Very high185 Ų185133.2 Ų133.270%0.69868%0.679SS**PPolyproline II helixtrans-76.9139.1173.6-65.2179.7-64.1171.13.7108.7
131Q95.4Very high96.3Very high138 Ų138129.2 Ų129.265%0.64567%0.669SS**PPolyproline II helixtrans-101.9148170.3-60.2-57.6-22.100110.1
132P97.1Very high96.2Very high107 Ų107125.1 Ų125.170%0.69566%0.657SS**PPolyproline II helixtrans-62.9168.1165.830.1-34.4000110.4P134P132-P134 WeakPolarHBondContact O-CD 3.48Å; P132-P134 VanDerWaalsContact O-N 3.17Å
133A96.8Very high96Very high98 Ų98121.9 Ų121.981%0.8165%0.651SS**PPolyproline II helixtrans-58.6120.5174.800000109.6
134P96Very high95.9Very high105 Ų105127.6 Ų127.668%0.68266%0.656SS**PPolyproline II helixtrans-74.2165.7176.931.8-34.8000110.7P132P132-P134 WeakPolarHBondContact O-CD 3.48Å; P132-P134 VanDerWaalsContact O-N 3.17Å
135P97.7Very high95.6Very high118 Ų118133.3 Ų133.377%0.76667%0.674SS**PPolyproline II helixtrans-52.1146.8164-23.834.6000110.9E137P135-E137 PolarHBondContact O-N 2.88Å
136R96.5Very high95.4Very high238 Ų238128.7 Ų128.790%0.89866%0.664SS**PPolyproline II helixtrans-62.7133.6175.8-68.2-177.8177.7-179.2-1109.2
137E96.6Very high95.2Very high171 Ų171134.2 Ų134.280%0.79969%0.686SS**PPolyproline II helixtrans-69.6152.8174.2-65.4-178.8178.800110.8P135 H139P135-E137 PolarHBondContact O-N 2.88Å; E137-H139 PolarHBondContact O-N 3.43Å
138A96.9Very high95.2Very high110 Ų110135.4 Ų135.491%0.90970%0.702SS**PPolyproline II helixtrans-62130.217300000108.9
139H96.6Very high95.1Very high144 Ų144140.8 Ų140.867%0.66773%0.725SS**  trans-140.4155.8175.568.3-75.7000109.9E137 V141E137-H139 PolarHBondContact O-N 3.43Å; H139-V141 WeakPolarHBondContact NE2-CG2 3.45Å
140F95.5Very high95Very high180 Ų180139.6 Ų139.679%0.78973%0.726SS**  trans-91.5133177.2-176.4-100.2000110.4
141V94.2Very high95Very high93 Ų93137.6 Ų137.656%0.56473%0.729SS**  trans-109116.4172.6-177.50000108.1H139H139-V141 WeakPolarHBondContact NE2-CG2 3.45Å
142S94.7Very high94.9Very high65 Ų65138.2 Ų138.246%0.45573%0.732SS.*  trans-85.8135.6-179-176.50000111.8K144S142-K144 PolarHBondContact OG-N 2.74Å
143T94.6Very high94.8Very high91 Ų91139.2 Ų139.256%0.55874%0.738SS**  trans-90.9-4.3176.450.70000113.6K145 N146T143-K145 PolarHBondContact O-N 3.08Å; T143-N146 CarbonylContact O-C 3.55Å; T143-N146 PolarHBondContact O-N 2.86Å
144K91.8Very high94.7Very high189 Ų189141.8 Ų141.882%0.82274%0.736SS**THydrogen-bonded Turntrans-59.3-25.5-171.8-168176.1-177.2177.30114.9S142S142-K144 PolarHBondContact OG-N 2.74Å
145K91.3Very high94.6Very high206 Ų206141.9 Ų141.990%0.89674%0.737SS**THydrogen-bonded Turntrans-136.118.1175.8-62.7-173.4178.4-175.90112T143T143-K145 PolarHBondContact O-N 3.08Å
146N91.8Very high94.3Very high106 Ų106145.7 Ų145.757%0.56774%0.738SS**  trans-146.372.6-175.1-170.625.2000108T143T143-N146 CarbonylContact O-C 3.55Å; T143-N146 PolarHBondContact O-N 2.86Å
147E91.6Very high94Very high168 Ų168140.8 Ų140.879%0.78573%0.725SS**PPolyproline II helixtrans-65.9130.8176.9-67.8-179175.700109.1Q149E147-Q149 PolarHBondContact O-N 3.05Å
148P95.1Very high93.4Very high115 Ų115140.2 Ų140.275%0.74772%0.72SS**PPolyproline II helixtrans-58.6122175.5-24.234.2000110.8
149Q93.8Very high92.9Very high165 Ų165142 Ų14277%0.77171%0.712SS**PPolyproline II helixtrans-82127.7176.8-170.8174.18.700110.1E147 L151E147-Q149 PolarHBondContact O-N 3.05Å; Q149-L151 HydrophobicContact CG-CD2 4.33Å; Q149-L151 PolarHBondContact O-N 3.46Å
150L95Very high92Very high140 Ų140142.7 Ų142.773%0.73374%0.742SS**PPolyproline II helixtrans-70.5125.5168.6-176.265.5000108.8
151L95.3Very high91.8Very high142 Ų142140.8 Ų140.874%0.74374%0.739SS**  trans-109.3133.2174.2-62.2178.8000108.8Q149Q149-L151 HydrophobicContact CG-CD2 4.33Å; Q149-L151 PolarHBondContact O-N 3.46Å
152E94.6Very high91.7Very high152 Ų152143.3 Ų143.371%0.7175%0.748SS**  trans-113.9145.4177.8-66.9-178.6178.900110.3I154E152-I154 PolarHBondContact O-N 3.24Å
153P95.3Very high91.5Very high127 Ų127147.7 Ų147.783%0.82577%0.765SS**PPolyproline II helixtrans-62.3130.3172.526.4-32.2000109.9
154I93.7Very high91.3Very high152 Ų152151 Ų15178%0.77978%0.777SS**PPolyproline II helixtrans-67.3138.4176.7-55.4174.3000108.4E152E152-I154 PolarHBondContact O-N 3.24Å
155P93.8Very high91.3Very high107 Ų107148.6 Ų148.670%0.69577%0.774SS**PPolyproline II helixtrans-60.1152.6173.325.1-34.5000111.5E157P155-E157 PolarHBondContact O-N 3.06Å
156Y92.5Very high91.3Very high199 Ų199144.8 Ų144.878%0.7877%0.766SS**PPolyproline II helixtrans-60.7124.9174.4173.2-96.3000110.2F158Y156-F158 HydrophobicContact CE1-CB 4.35Å
157E89.1Confident91.2Very high134 Ų134147.6 Ų147.663%0.62678%0.78SS**  trans-128.3130.5173.2-171.2178.217900108.6P155 M159P155-E157 PolarHBondContact O-N 3.06Å; E157-M159 HydrophobicContact CG-CE 4.32Å; E157-M159 HydrophobicContact CG-CG 4.36Å; E157-M159 PolarHBondContact O-N 3.41Å; E157-M159 WeakPolarHBondContact OE2-CE 3.21Å
158F84.7Confident91.2Very high159 Ų159146 Ų14670%0.69778%0.78SS**  trans-85.1106.3174.5-176.1-98.4000109.1Y156 A160Y156-F158 HydrophobicContact CE1-CB 4.35Å; F158-A160 HydrophobicContact CE1-CB 3.99Å
159M85.4Confident90.9Very high149 Ų149148.6 Ų148.673%0.73478%0.783SS**  trans-102.4122.5173.2-63-169.8-175.900109.9E157E157-M159 HydrophobicContact CG-CE 4.32Å; E157-M159 HydrophobicContact CG-CG 4.36Å; E157-M159 PolarHBondContact O-N 3.41Å; E157-M159 WeakPolarHBondContact OE2-CE 3.21Å
160A77.7Confident90.6Very high157 Ų157147.1 Ų147.1100%1.29878%0.784SS**  trans-108.80173.900000111.3F158F158-A160 HydrophobicContact CE1-CB 3.99Å

Retrieved 160 of 160 residues in 157.1 ms (Link to these results)

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