A0A096NA67_PAPAN Loading...

Large ribosomal subunit protein eL21

AlphaFold DB , UniProt , Accession A0A096NA67, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 160 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M58.8Low87.9Confident226 Ų226116.1 Ų116.1100%1.11362%0.618SS**  0104.70-113.3-170.8-88.100110.6N3M1-N3 PolarHBondContact O-N 3.01Å
2T80.3Confident88.3Confident150 Ų150123.3 Ų123.392%0.9263%0.63SS**  trans-97.878.5-172.1-25.40000110.5T4T2-T4 PolarHBondContact O-N 3.36Å
3N83.1Confident88.8Confident99 Ų99127.5 Ų127.553%0.52964%0.635SS.*  trans-66.5130.5176.3-88-46000111.1M1 K5M1-N3 PolarHBondContact O-N 3.01Å; N3-K5 WeakPolarHBondContact O-CG 3.45Å; N3-K5 PolarHBondContact O-N 3.1Å
4T89.2Confident89.3Confident109 Ų109122.4 Ų122.467%0.66961%0.609SS**  trans-56.7137.8177.5-36.20000110.8T2 R9T2-T4 PolarHBondContact O-N 3.36Å; T4-R9 WeakPolarHBondContact O-CD 3.46Å; T4-R9 VanDerWaalsContact O-CZ 3.26Å; T4-R9 PolarHBondContact O-NE 3.38Å; T4-R9 PolarHBondContact O-NH1 3.34Å
5K90Very high89.6Confident194 Ų194114.8 Ų114.884%0.84357%0.571SS**  trans-118.331.4-177.7-63.7-178.7-175.4171.20113.6N3N3-K5 WeakPolarHBondContact O-CG 3.45Å; N3-K5 PolarHBondContact O-N 3.1Å
6G94.4Very high89.9Confident39 Ų39111.9 Ų111.940%0.40257%0.565SS.*  trans-60.1148.4-17800000113.8R8 R9G6-R8 PolarHBondContact O-N 2.94Å; G6-R9 WeakPolarHBondContact O-CB 3.16Å; G6-R9 PolarHBondContact O-N 2.96Å
7K93.2Very high90.1Very high156 Ų156108.4 Ų108.468%0.67854%0.544SS*.THydrogen-bonded Turntrans-52.8-29.8-178.8-175.1176.5179.7179.20114.1H54K7-H54 PolarHBondContact O-CD2 2.86Å
8R93.7Very high90.3Very high108 Ų108106.8 Ų106.841%0.40854%0.542SS..THydrogen-bonded Turntrans-114.722179.7-59.7-174.376.7173.70.8113.2G6 G10 T11 M52G6-R8 PolarHBondContact O-N 2.94Å; R8-G10 PolarHBondContact O-N 3.43Å; R8-T11 PolarHBondContact O-OG1 3.43Å; R8-M52 VanDerWaalsContact NH2-CE 3.29Å; R8-M52 PolarHBondContact NH2-SD 2.98Å
9R94.9Very high90.6Very high113 Ų113109.6 Ų109.643%0.42655%0.551SS.*THydrogen-bonded Turntrans-62.7135.8174.3175.1172.8174.2-1491.2110.8T4 G6 T11 K55T4-R9 WeakPolarHBondContact O-CD 3.46Å; T4-R9 VanDerWaalsContact O-CZ 3.26Å; T4-R9 PolarHBondContact O-NE 3.38Å; T4-R9 PolarHBondContact O-NH1 3.34Å; G6-R9 WeakPolarHBondContact O-CB 3.16Å; G6-R9 PolarHBondContact O-N 2.96Å; R9-T11 VanDerWaalsContact C-N 3.33Å; R9-K55 WeakPolarHBondContact O-CD 3.31Å; R9-K55 PolarHBondContact O-NZ 2.87Å
10G94Very high90.8Very high71 Ų71114.4 Ų114.473%0.73256%0.562SS**THydrogen-bonded Turntrans71.226.9175.300000113.5R8R8-G10 PolarHBondContact O-N 3.43Å
11T95.6Very high91Very high12 Ų12115.3 Ų115.37%0.07456%0.563CS.*  trans-113.516.8-178.973.40000113.8R8 R9 Y13 M14 F15 K55R8-T11 PolarHBondContact O-OG1 3.43Å; R9-T11 VanDerWaalsContact C-N 3.33Å; T11-Y13 PolarHBondContact O-N 2.97Å; T11-M14 HydrophobicContact CG2-CE 3.55Å; T11-M14 PolarHBondContact O-N 3.19Å; T11-F15 VanDerWaalsContact CB-CD2 3.4Å; T11-F15 HydrophobicContact CG2-CD2 4.03Å; T11-F15 HydrophobicContact CG2-CE2 3.73Å; T11-F15 HydrophobicContact CG2-CZ 4.42Å; T11-F15 PolarHBondContact O-N 3.11Å; T11-F15 VanDerWaalsContact OG1-CD2 3.26Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; T11-K55 HydrophobicContact CG2-CB 3.84Å; T11-K55 HydrophobicContact CG2-CD 3.86Å; T11-K55 HydrophobicContact CG2-CG 4.38Å
12R92.9Very high92.6Very high203 Ų203110.7 Ų110.777%0.76654%0.538SS*.THydrogen-bonded Turntrans-51.1-55.1-175.7-173.4-179.1-174.2-178.52.8111.8
13Y94.6Very high93.2Very high178 Ų178105.9 Ų105.970%0.69852%0.519SS*.THydrogen-bonded Turntrans-88.5-23.8179.4-54-68.5000113.6T11 F15 S16T11-Y13 PolarHBondContact O-N 2.97Å; Y13-F15 PolarHBondContact O-N 3.35Å; Y13-S16 PolarHBondContact O-OG 2.93Å
14M94.9Very high93.8Very high55 Ų55107.5 Ų107.527%0.27153%0.532SS..THydrogen-bonded Turntrans-70.9-33.6-173.7-172.5-176.468.500112.8T11 K55 H58T11-M14 HydrophobicContact CG2-CE 3.55Å; T11-M14 PolarHBondContact O-N 3.19Å; M14-K55 HydrophobicContact CE-CB 3.22Å; M14-K55 HydrophobicContact SD-CB 4.13Å; M14-H58 HydrophobicContact CE-CB 4.34Å; M14-H58 VanDerWaalsContact CG-CD2 3.45Å; M14-H58 WeakPolarHBondContact CG-CD2 3.19Å; M14-H58 VanDerWaalsContact CG-NE2 3.31Å; M14-H58 WeakPolarHBondContact CG-NE2 3.47Å; M14-H58 PolarHBondContact O-CE1 2.82Å; M14-H58 PolarHBondContact O-NE2 3.03Å; M14-H58 HydrophobicContact SD-CB 4.02Å
15F94.7Very high94Very high9 Ų9102.6 Ų102.64%0.03950%0.502CS..SBendtrans-105.60.2179.1-65.1-30.8000113.5T11 Y13 G46 M52 K55 H58T11-F15 VanDerWaalsContact CB-CD2 3.4Å; T11-F15 HydrophobicContact CG2-CD2 4.03Å; T11-F15 HydrophobicContact CG2-CE2 3.73Å; T11-F15 HydrophobicContact CG2-CZ 4.42Å; T11-F15 PolarHBondContact O-N 3.11Å; T11-F15 VanDerWaalsContact OG1-CD2 3.26Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; Y13-F15 PolarHBondContact O-N 3.35Å; F15-G46 WeakPolarHBondContact O-CA 3.43Å; F15-G46 PolarHBondContact O-N 3.41Å; F15-M52 HydrophobicContact CB-CE 3.74Å; F15-M52 HydrophobicContact CD1-CE 3.37Å; F15-M52 HydrophobicContact CD2-CE 3.42Å; F15-M52 VanDerWaalsContact CD2-CE 3.42Å; F15-M52 HydrophobicContact CD2-SD 4.22Å; F15-M52 HydrophobicContact CE1-CE 3.67Å; F15-M52 HydrophobicContact CE2-CE 3.71Å; F15-M52 HydrophobicContact CE2-SD 4.21Å; F15-M52 HydrophobicContact CG-CE 3.23Å; F15-M52 HydrophobicContact CZ-CE 3.82Å; F15-K55 HydrophobicContact CZ-CB 4.46Å; F15-H58 AromaticContact CE1-ND1 3.7Å
16S93.9Very high94.2Very high68 Ų6897.1 Ų97.148%0.47649%0.486SS..SBendtrans-64.3150.3173.762.60000110.4Y13Y13-S16 PolarHBondContact O-OG 2.93Å
17R93.2Very high94.3Very high53 Ų53101.8 Ų101.820%0.250%0.501CS..PPolyproline II helixtrans-78.6141.9170.9-72.3-72.5-71.3-165.7-7.1108.7K21 M45 T47R17-K21 PolarHBondContact NE-O 3.29Å; R17-K21 PolarHBondContact NH2-O 2.96Å; R17-M45 PolarHBondContact NH1-SD 3.15Å; R17-T47 VanDerWaalsContact CD-OG1 3.31Å; R17-T47 WeakPolarHBondContact CD-OG1 3.42Å
18P94.5Very high94.4Very high80 Ų8097.2 Ų97.252%0.51949%0.492SS..PPolyproline II helixtrans-66.4156.6175.422.4-23.9000110.6R20 K21P18-R20 PolarHBondContact O-N 3Å; P18-K21 HydrophobicContact CG-CB 3.85Å; P18-K21 HydrophobicContact CG-CG 4Å; P18-K21 WeakPolarHBondContact O-CB 3.49Å; P18-K21 PolarHBondContact O-N 2.81Å
19F95.6Very high94.5Very high160 Ų16092.9 Ų92.970%0.70248%0.478SS*.THydrogen-bonded Turntrans-51.6138.3179.9-178.2-120.3000111.6K21F19-K21 PolarHBondContact O-N 3.45Å
20R95.3Very high94.5Very high204 Ų20492.3 Ų92.377%0.7748%0.476SS*.THydrogen-bonded Turntrans5521.3-177.6-63.2176.5178.8179.91.8114.9P18P18-R20 PolarHBondContact O-N 3Å
21K93.9Very high94.5Very high134 Ų13496.2 Ų96.258%0.58348%0.477SS*.  trans-121.930.8170.8-58.3-65.1-179.7-171.10110.9R17 P18 F19R17-K21 PolarHBondContact NE-O 3.29Å; R17-K21 PolarHBondContact NH2-O 2.96Å; P18-K21 HydrophobicContact CG-CB 3.85Å; P18-K21 HydrophobicContact CG-CG 4Å; P18-K21 WeakPolarHBondContact O-CB 3.49Å; P18-K21 PolarHBondContact O-N 2.81Å; F19-K21 PolarHBondContact O-N 3.45Å
22H93.4Very high94.5Very high130 Ų130100.6 Ų100.660%0.60249%0.493SS*.  trans-77.7172.7173.9-60-87.1000110.9
23G93.1Very high94.7Very high49 Ų4997.1 Ų97.151%0.50549%0.488SS..SBendtrans88.2-152.3178.400000114.8T47G23-T47 VanDerWaalsContact O-CG2 3.3Å; G23-T47 WeakPolarHBondContact O-CG2 3.49Å
24V94.1Very high94.8Very high133 Ų13389.4 Ų89.481%0.80646%0.458SS*.SBendtrans-68.2145-169.1-175.80000111.8
25V93.9Very high94.9Very high6 Ų693.6 Ų93.64%0.03647%0.474CS..PPolyproline II helixtrans-74.1130.7175.2-178.60000109.3T29 Y30 M45 T47 V48V25-T29 HydrophobicContact CG1-CG2 4.11Å; V25-T29 WeakPolarHBondContact CG1-OG1 3.45Å; V25-Y30 HydrophobicContact CB-CE2 4.29Å; V25-Y30 HydrophobicContact CG1-CE2 4.36Å; V25-M45 HydrophobicContact CG2-SD 3.82Å; V25-T47 HydrophobicContact CG2-CG2 4.06Å; V25-V48 HydrophobicContact CG2-CG2 4.34Å
26P94.8Very high95Very high78 Ų78100.9 Ų100.951%0.50651%0.506SS..PPolyproline II helixtrans-58139.8178.9-24.433.2000112.6A28 T29P26-A28 PolarHBondContact O-N 3.22Å; P26-A28 VanDerWaalsContact O-N 3.12Å; P26-T29 WeakPolarHBondContact O-CB 3.22Å; P26-T29 PolarHBondContact O-N 3.41Å; P26-T29 PolarHBondContact O-OG1 3.01Å
27L95.7Very high95.1Very high137 Ų13799.9 Ų99.972%0.71751%0.507SS*.G310 helixtrans-55.8-31.7-178.7-71.6175.8000113.4T29 Y30 M31L27-T29 PolarHBondContact O-N 2.94Å; L27-Y30 HydrophobicContact CD2-CD2 4.45Å; L27-Y30 PolarHBondContact O-N 3.46Å; L27-M31 WeakPolarHBondContact O-CG 3.37Å; L27-M31 PolarHBondContact O-N 3.02Å; L27-M31 VanDerWaalsContact O-N 3.12Å
28A95.7Very high95.3Very high61 Ų6199.5 Ų99.550%0.50451%0.508SS..G310 helixtrans-54.6-21.9174.500000113.8P26 R32P26-A28 PolarHBondContact O-N 3.22Å; P26-A28 VanDerWaalsContact O-N 3.12Å; A28-R32 WeakPolarHBondContact O-CG 3.36Å
29T95.1Very high95.4Very high16 Ų1697.3 Ų97.310%0.09849%0.492CS..G310 helixtrans-71.9-39.4175.7-46.30000111.6V25 P26 L27 I93V25-T29 HydrophobicContact CG1-CG2 4.11Å; V25-T29 WeakPolarHBondContact CG1-OG1 3.45Å; P26-T29 WeakPolarHBondContact O-CB 3.22Å; P26-T29 PolarHBondContact O-N 3.41Å; P26-T29 PolarHBondContact O-OG1 3.01Å; L27-T29 PolarHBondContact O-N 2.94Å; T29-I93 VanDerWaalsContact O-CG2 3.27Å; T29-I93 WeakPolarHBondContact O-CG2 3.43Å
30Y94.9Very high95.5Very high101 Ų10189.7 Ų89.740%0.39646%0.459SS..THydrogen-bonded Turntrans-79.7-32.6-179.5-57.8-72.6000112.5V25 L27 R32 E94V25-Y30 HydrophobicContact CB-CE2 4.29Å; V25-Y30 HydrophobicContact CG1-CE2 4.36Å; L27-Y30 HydrophobicContact CD2-CD2 4.45Å; L27-Y30 PolarHBondContact O-N 3.46Å; Y30-R32 PolarHBondContact O-N 3.34Å; Y30-E94 HydrophobicContact CE1-CG 3.57Å
31M95.9Very high95.6Very high154 Ų15482.3 Ų82.376%0.75944%0.435SS*.SBendtrans-74-6.6179.5-60.2-61.9-86.500113.4L27 I33L27-M31 WeakPolarHBondContact O-CG 3.37Å; L27-M31 PolarHBondContact O-N 3.02Å; L27-M31 VanDerWaalsContact O-N 3.12Å; M31-I33 PolarHBondContact O-N 3.46Å
32R95.2Very high95.8Very high104 Ų10476 Ų7639%0.39241%0.407SS..  trans-72.5124.7176.7-82.5174.4-169.8151.96.7110.8A28 Y30 Y34A28-R32 WeakPolarHBondContact O-CG 3.36Å; Y30-R32 PolarHBondContact O-N 3.34Å; R32-Y34 HydrophobicContact CB-CE2 3.78Å; R32-Y34 WeakPolarHBondContact O-CD2 3.36Å
33I96Very high95.9Very high130 Ų13074.6 Ų74.667%0.66740%0.399SS*.  trans-86.7127.3177.9-57.9171.1000109.2M31 K35 H98M31-I33 PolarHBondContact O-N 3.46Å; I33-K35 HydrophobicContact CG2-CG 4.48Å; I33-H98 PolarHBondContact O-CE1 2.91Å; I33-H98 PolarHBondContact O-NE2 3.5Å
34Y97Very high96Very high16 Ų1672.4 Ų72.46%0.06338%0.377CS..  trans-112.3134.3174.2-66.5-86.5000109.9R32 V40 V72 I93 I96 H98R32-Y34 HydrophobicContact CB-CE2 3.78Å; R32-Y34 WeakPolarHBondContact O-CD2 3.36Å; Y34-V40 HydrophobicContact CD1-CG1 3.67Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; Y34-V72 HydrophobicContact CD2-CG2 4.34Å; Y34-V72 HydrophobicContact CG-CG2 4.22Å; Y34-I93 HydrophobicContact CD2-CG2 4.43Å; Y34-I93 HydrophobicContact CE2-CG2 3.78Å; Y34-I96 HydrophobicContact CD1-CG2 4.49Å; Y34-I96 HydrophobicContact CE1-CG2 3.76Å; Y34-I96 PolarHBondContact OH-O 3.19Å; Y34-H98 AromaticContact CD1-CE1 3.35Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.34Å; Y34-H98 AromaticContact CD1-ND1 3.98Å; Y34-H98 AromaticContact CD1-NE2 3.63Å; Y34-H98 AromaticContact CE1-CE1 3.24Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.49Å; Y34-H98 AromaticContact CE1-ND1 3.39Å; Y34-H98 WeakPolarHBondContact CE1-ND1 3.47Å; Y34-H98 AromaticContact CE1-NE2 3.84Å; Y34-H98 AromaticContact CG-CE1 3.98Å; Y34-H98 AromaticContact CZ-CE1 3.76Å; Y34-H98 AromaticContact CZ-ND1 3.78Å
35K96.8Very high95.9Very high143 Ų14367.1 Ų67.162%0.62234%0.344SS*.  trans-116.1158.2176.3-64.3-177.2-178.8-177.50110.8I33 G37 D38 V64I33-K35 HydrophobicContact CG2-CG 4.48Å; K35-G37 PolarHBondContact O-N 3.38Å; K35-D38 PolarHBondContact N-OD2 3.17Å; K35-D38 VanDerWaalsContact O-CB 3.31Å; K35-D38 WeakPolarHBondContact O-CB 3.39Å; K35-D38 PolarHBondContact O-N 3.29Å; K35-D38 VanDerWaalsContact O-N 3.15Å; K35-V64 WeakPolarHBondContact O-CB 3.28Å
36K97.4Very high95.9Very high161 Ų16168 Ų6870%0.735%0.354SS*.THydrogen-bonded Turntrans-62.7131.3174.3-163.1168.6170.9170.60109.1Y65K36-Y65 VanDerWaalsContact CD-O 3.28Å; K36-Y65 WeakPolarHBondContact CD-O 3.32Å; K36-Y65 WeakPolarHBondContact CE-O 3.4Å; K36-Y65 WeakPolarHBondContact CG-O 3.22Å
37G95.9Very high95.9Very high48 Ų4866.7 Ų66.750%0.49534%0.344SS..THydrogen-bonded Turntrans92.7-11.2-174.100000115.3K35 V64K35-G37 PolarHBondContact O-N 3.38Å; G37-V64 PolarHBondContact N-O 3.09Å
38D96.8Very high95.9Very high44 Ų4461.1 Ų61.124%0.23532%0.316CS..  trans-61.4144.2175.5-75.8-8.9000111.3K35 V40 R63 V64 H98K35-D38 PolarHBondContact N-OD2 3.17Å; K35-D38 VanDerWaalsContact O-CB 3.31Å; K35-D38 WeakPolarHBondContact O-CB 3.39Å; K35-D38 PolarHBondContact O-N 3.29Å; K35-D38 VanDerWaalsContact O-N 3.15Å; D38-V40 HydrophobicContact CB-CG1 4.37Å; D38-R63 WeakPolarHBondContact O-CA 3.45Å; D38-V64 HydrophobicContact CB-CG2 4.15Å; D38-V64 PolarHBondContact O-N 2.87Å; D38-H98 IonicContact OD2-CD2 3.9Å; D38-H98 IonicContact OD2-NE2 3.86Å; D38-H98 PolarHBondContact OD2-NE2 2.95Å
39I97.1Very high95.8Very high34 Ų3464.4 Ų64.417%0.17432%0.321CS..EExtended strand (participates in β ladder)trans-93.8121.8174.6-58.5-177.3000108.6T61 G62 R63 S99 R102I39-T61 HydrophobicContact CG2-CG2 3.32Å; I39-G62 WeakPolarHBondContact CA-O 3.47Å; I39-R63 HydrophobicContact CG1-CG 4.22Å; I39-S99 PolarHBondContact O-N 3.47Å; I39-R102 HydrophobicContact CB-CB 4.45Å; I39-R102 HydrophobicContact CD1-CB 4.26Å; I39-R102 HydrophobicContact CD1-CG 4.29Å
40V97.8Very high95.9Very high0 Ų070.5 Ų70.50%035%0.346CS..EExtended strand (participates in β ladder)trans-131.3143.8-172.9-61.20000112.2Y34 D38 T61 G62 V64 I74 I96 K97Y34-V40 HydrophobicContact CD1-CG1 3.67Å; Y34-V40 HydrophobicContact CE1-CG1 3.66Å; D38-V40 HydrophobicContact CB-CG1 4.37Å; V40-T61 CarbonylContact O-C 3.54Å; V40-T61 WeakPolarHBondContact O-CA 3.48Å; V40-T61 WeakPolarHBondContact O-CG2 3.34Å; V40-G62 PolarHBondContact N-O 2.86Å; V40-G62 PolarHBondContact O-N 2.99Å; V40-V64 HydrophobicContact CG1-CG2 3.84Å; V40-V64 HydrophobicContact CG2-CG2 3.96Å; V40-I74 HydrophobicContact CG2-CD1 3.6Å; V40-I74 HydrophobicContact CG2-CG1 3.83Å; V40-I74 HydrophobicContact CG2-CG2 4.1Å; V40-I96 HydrophobicContact CB-CG2 3.48Å; V40-I96 VanDerWaalsContact CB-CG2 3.48Å; V40-I96 HydrophobicContact CG1-CG2 3.88Å; V40-I96 HydrophobicContact CG2-CG2 3.78Å; V40-K97 CarbonylContact C-O 3.48Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.29Å; V40-K97 WeakPolarHBondContact CB-O 3.41Å
41D97.4Very high95.9Very high50 Ų5067.4 Ų67.427%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-96.3135.2175-62.1-35.4000109.9T61 I96 K97 S99D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.41Å; D41-T61 PolarHBondContact OD1-OG1 3.19Å; D41-I96 WeakPolarHBondContact O-CA 2.98Å; D41-K97 PolarHBondContact N-O 3.28Å; D41-K97 PolarHBondContact O-N 3.37Å; D41-S99 PolarHBondContact OD1-OG 3.26Å; D41-S99 WeakPolarHBondContact OD2-CA 3.45Å; D41-S99 WeakPolarHBondContact OD2-CB 3.41Å; D41-S99 PolarHBondContact OD2-OG 3.12Å
42I97.5Very high95.9Very high1 Ų161.3 Ų61.31%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-98.3117.8-178.5-60.9154.5000109.1P53 Y57 G59 K60 I74 V76 I89I42-P53 HydrophobicContact CG2-CB 3.7Å; I42-P53 HydrophobicContact CG2-CG 3.67Å; I42-Y57 WeakPolarHBondContact CB-O 3.45Å; I42-Y57 WeakPolarHBondContact CG2-O 3.43Å; I42-G59 PolarHBondContact O-N 3.34Å; I42-K60 WeakPolarHBondContact CB-O 3.28Å; I42-K60 PolarHBondContact N-O 2.94Å; I42-I74 HydrophobicContact CD1-CD1 4.23Å; I42-I74 HydrophobicContact CD1-CG2 4.25Å; I42-I74 HydrophobicContact CG1-CD1 3.82Å; I42-V76 HydrophobicContact CD1-CG2 3.38Å; I42-I89 HydrophobicContact CD1-CD1 3.63Å
43K95.9Very high96Very high101 Ų10156.7 Ų56.744%0.43930%0.299SS..  trans-135.799.3178.3-177.969.8-177.9168.50109.4H58 H95K43-H58 VanDerWaalsContact CD-CE1 3.47Å; K43-H58 WeakPolarHBondContact CD-CE1 3.48Å; K43-H58 PolarHBondContact NZ-CE1 3.38Å; K43-H58 PolarHBondContact NZ-NE2 2.83Å; K43-H95 CarbonylContact C-O 3.6Å; K43-H95 PolarHBondContact N-O 3.1Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 WeakPolarHBondContact O-CA 3.34Å
44G94.3Very high96Very high3 Ų353.6 Ų53.63%0.03128%0.281CS..  trans-64.2139.6174.800000111.3H58G44-H58 PolarHBondContact N-ND1 2.88Å; G44-H58 PolarHBondContact O-CE1 2.88Å
45M93.5Very high96Very high22 Ų2256.7 Ų56.711%0.10830%0.295CS..  trans-128.7145.6173.168.4177.268.300110.1R17 V25 T47 M52 E94 H95R17-M45 PolarHBondContact NH1-SD 3.15Å; V25-M45 HydrophobicContact CG2-SD 3.82Å; M45-T47 VanDerWaalsContact C-N 3.33Å; M45-T47 PolarHBondContact O-N 2.94Å; M45-M52 WeakPolarHBondContact O-CE 3.33Å; M45-E94 WeakPolarHBondContact CE-O 3.48Å; M45-E94 HydrophobicContact SD-CB 4.5Å; M45-H95 PolarHBondContact N-ND1 3.4Å; M45-H95 PolarHBondContact O-CE1 2.81Å; M45-H95 VanDerWaalsContact O-CE1 3.32Å
46G93.6Very high95.9Very high25 Ų2551.8 Ų51.826%0.25828%0.278SS..THydrogen-bonded Turntrans-73.4-17.5-175.800000115.8F15 V48F15-G46 WeakPolarHBondContact O-CA 3.43Å; F15-G46 PolarHBondContact O-N 3.41Å; G46-V48 VanDerWaalsContact C-N 3.31Å; G46-V48 PolarHBondContact O-N 3.21Å
47T94.4Very high95.9Very high49 Ų4945.5 Ų45.530%0.30125%0.25SS..THydrogen-bonded Turntrans-61.8-37.2-177.7-510000112.7R17 G23 V25 M45R17-T47 VanDerWaalsContact CD-OG1 3.31Å; R17-T47 WeakPolarHBondContact CD-OG1 3.42Å; G23-T47 VanDerWaalsContact O-CG2 3.3Å; G23-T47 WeakPolarHBondContact O-CG2 3.49Å; V25-T47 HydrophobicContact CG2-CG2 4.06Å; M45-T47 VanDerWaalsContact C-N 3.33Å; M45-T47 PolarHBondContact O-N 2.94Å
48V95Very high95.9Very high20 Ų2044.8 Ų44.812%0.12123%0.234CC..  trans-115.9122.1178179.60000108.1V25 G46 E94 H95V25-V48 HydrophobicContact CG2-CG2 4.34Å; G46-V48 VanDerWaalsContact C-N 3.31Å; G46-V48 PolarHBondContact O-N 3.21Å; V48-E94 HydrophobicContact CG2-CB 4.4Å; V48-E94 HydrophobicContact CG2-CG 4.04Å; V48-H95 PolarHBondContact O-CE1 3.06Å; V48-H95 PolarHBondContact O-NE2 3.49Å
49Q94.7Very high95.8Very high130 Ų13045.6 Ų45.661%0.60725%0.253SS*.  trans-92.6-25.2-178.1-53.882.4-2.900112.3M52Q49-M52 WeakPolarHBondContact O-CB 3.39Å
50K95.8Very high95.8Very high145 Ų14549 Ų4963%0.6327%0.266SS*.THydrogen-bonded Turntrans-72.8139.9-179.1-69.1-173.2179.3-179.20110.8M52 R92K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å; K50-R92 WeakPolarHBondContact O-CD 3.15Å
51G95.5Very high95.8Very high36 Ų3652.3 Ų52.337%0.37129%0.287SS..THydrogen-bonded Turntrans57.824.3-179.900000114.7V91 R92 H95G51-V91 WeakPolarHBondContact O-CA 3.33Å; G51-R92 PolarHBondContact O-N 2.78Å; G51-H95 PolarHBondContact O-CD2 3.18Å
52M96.2Very high95.8Very high25 Ų2550.3 Ų50.312%0.12328%0.277CS..PPolyproline II helixtrans-70.8133.9179.8-167.2177.9-161.700111.5R8 F15 M45 Q49 K50R8-M52 VanDerWaalsContact NH2-CE 3.29Å; R8-M52 PolarHBondContact NH2-SD 2.98Å; F15-M52 HydrophobicContact CB-CE 3.74Å; F15-M52 HydrophobicContact CD1-CE 3.37Å; F15-M52 HydrophobicContact CD2-CE 3.42Å; F15-M52 VanDerWaalsContact CD2-CE 3.42Å; F15-M52 HydrophobicContact CD2-SD 4.22Å; F15-M52 HydrophobicContact CE1-CE 3.67Å; F15-M52 HydrophobicContact CE2-CE 3.71Å; F15-M52 HydrophobicContact CE2-SD 4.21Å; F15-M52 HydrophobicContact CG-CE 3.23Å; F15-M52 HydrophobicContact CZ-CE 3.82Å; M45-M52 WeakPolarHBondContact O-CE 3.33Å; Q49-M52 WeakPolarHBondContact O-CB 3.39Å; K50-M52 PolarHBondContact O-N 3.32Å; K50-M52 VanDerWaalsContact O-N 3.13Å
53P97.4Very high95.8Very high8 Ų858.1 Ų58.15%0.05231%0.307CS..PPolyproline II helixtrans-69.1149.3178.728.8-35.2000111.5I42 V91 H95I42-P53 HydrophobicContact CG2-CB 3.7Å; I42-P53 HydrophobicContact CG2-CG 3.67Å; P53-V91 HydrophobicContact CB-CG2 4.19Å; P53-V91 HydrophobicContact CG-CG1 4.48Å; P53-H95 HydrophobicContact CG-CB 4.39Å
54H96.3Very high95.9Very high64 Ų6453.5 Ų53.530%0.29629%0.287SS..PPolyproline II helixtrans-65.8148.8167.3-178.5-99.1000110.4K7 C56 Y57K7-H54 PolarHBondContact O-CD2 2.86Å; H54-C56 PolarHBondContact ND1-N 3.31Å; H54-C56 PolarHBondContact ND1-SG 3.16Å; H54-C56 PolarHBondContact O-N 3.34Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 3.34Å
55K95.8Very high96Very high81 Ų8156.2 Ų56.235%0.35230%0.297SS..G310 helixtrans-52.6-30.5-175.662.6176-179.4178.20115.3R9 T11 M14 F15 Y57 H58R9-K55 WeakPolarHBondContact O-CD 3.31Å; R9-K55 PolarHBondContact O-NZ 2.87Å; T11-K55 HydrophobicContact CG2-CB 3.84Å; T11-K55 HydrophobicContact CG2-CD 3.86Å; T11-K55 HydrophobicContact CG2-CG 4.38Å; M14-K55 HydrophobicContact CE-CB 3.22Å; M14-K55 HydrophobicContact SD-CB 4.13Å; F15-K55 HydrophobicContact CZ-CB 4.46Å; K55-Y57 PolarHBondContact O-N 3.33Å; K55-H58 WeakPolarHBondContact O-CB 3.42Å; K55-H58 PolarHBondContact O-N 2.9Å
56C95.6Very high96.2Very high41 Ų4158.5 Ų58.528%0.27731%0.31SS..G310 helixtrans-66.2-19.8178.968.40000114.2H54H54-C56 PolarHBondContact ND1-N 3.31Å; H54-C56 PolarHBondContact ND1-SG 3.16Å; H54-C56 PolarHBondContact O-N 3.34Å
57Y97.2Very high96.4Very high29 Ų2960.6 Ų60.611%0.11432%0.317CS..G310 helixtrans-99.4-7.1179.2-55.9-63000112.7I42 H54 K55 G59 K60 V76 K78 K87 I89I42-Y57 WeakPolarHBondContact CB-O 3.45Å; I42-Y57 WeakPolarHBondContact CG2-O 3.43Å; H54-Y57 HydrophobicContact CB-CD2 4.05Å; H54-Y57 HydrophobicContact CB-CE2 4.28Å; H54-Y57 PolarHBondContact O-N 3.34Å; K55-Y57 PolarHBondContact O-N 3.33Å; Y57-G59 PolarHBondContact O-N 2.79Å; Y57-K60 WeakPolarHBondContact O-CB 3.47Å; Y57-K60 PolarHBondContact O-N 2.85Å; Y57-K60 VanDerWaalsContact O-N 3.12Å; Y57-V76 HydrophobicContact CD1-CB 4.18Å; Y57-V76 HydrophobicContact CD1-CG1 4.03Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; Y57-K78 HydrophobicContact CE1-CB 4.36Å; Y57-K78 HydrophobicContact CE1-CD 4.11Å; Y57-K87 HydrophobicContact CE1-CB 4.18Å; Y57-I89 HydrophobicContact CD1-CD1 4.46Å; Y57-I89 HydrophobicContact CD2-CD1 4.27Å; Y57-I89 HydrophobicContact CD2-CG2 4.06Å; Y57-I89 HydrophobicContact CE1-CG2 4.3Å; Y57-I89 HydrophobicContact CE2-CG2 3.67Å; Y57-I89 HydrophobicContact CG-CD1 4.04Å
58H95.6Very high96.5Very high33 Ų3361.7 Ų61.715%0.15332%0.324CS..THydrogen-bonded Turntrans-67.3131.6177.3-172.593.4000110.3M14 F15 K43 G44 K55 K60M14-H58 HydrophobicContact CE-CB 4.34Å; M14-H58 VanDerWaalsContact CG-CD2 3.45Å; M14-H58 WeakPolarHBondContact CG-CD2 3.19Å; M14-H58 VanDerWaalsContact CG-NE2 3.31Å; M14-H58 WeakPolarHBondContact CG-NE2 3.47Å; M14-H58 PolarHBondContact O-CE1 2.82Å; M14-H58 PolarHBondContact O-NE2 3.03Å; M14-H58 HydrophobicContact SD-CB 4.02Å; F15-H58 AromaticContact CE1-ND1 3.7Å; K43-H58 VanDerWaalsContact CD-CE1 3.47Å; K43-H58 WeakPolarHBondContact CD-CE1 3.48Å; K43-H58 PolarHBondContact NZ-CE1 3.38Å; K43-H58 PolarHBondContact NZ-NE2 2.83Å; G44-H58 PolarHBondContact N-ND1 2.88Å; G44-H58 PolarHBondContact O-CE1 2.88Å; K55-H58 WeakPolarHBondContact O-CB 3.42Å; K55-H58 PolarHBondContact O-N 2.9Å; H58-K60 PolarHBondContact O-N 3.43Å
59G95.5Very high96.5Very high61 Ų6168.7 Ų68.763%0.62936%0.355SS*.THydrogen-bonded Turntrans74.36.8-17400000114.2I42 Y57I42-G59 PolarHBondContact O-N 3.34Å; Y57-G59 PolarHBondContact O-N 2.79Å
60K96.7Very high96.5Very high106 Ų10667.6 Ų67.646%0.46135%0.35SS..  trans-89.2146.7172.7-60.3-63.5-176.8-179.20110.4I42 Y57 H58 V76I42-K60 WeakPolarHBondContact CB-O 3.28Å; I42-K60 PolarHBondContact N-O 2.94Å; Y57-K60 WeakPolarHBondContact O-CB 3.47Å; Y57-K60 PolarHBondContact O-N 2.85Å; Y57-K60 VanDerWaalsContact O-N 3.12Å; H58-K60 PolarHBondContact O-N 3.43Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.2Å
61T97.5Very high96.6Very high69 Ų6961.6 Ų61.642%0.42333%0.327SS..EExtended strand (participates in β ladder)trans-100140.4170.8-50.20000108.9I39 V40 D41I39-T61 HydrophobicContact CG2-CG2 3.32Å; V40-T61 CarbonylContact O-C 3.54Å; V40-T61 WeakPolarHBondContact O-CA 3.48Å; V40-T61 WeakPolarHBondContact O-CG2 3.34Å; D41-T61 WeakPolarHBondContact OD1-CB 3.44Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.41Å; D41-T61 PolarHBondContact OD1-OG1 3.19Å
62G96.9Very high96.7Very high7 Ų760 Ų607%0.07231%0.31CS..EExtended strand (participates in β ladder)trans-142.9178.5178.200000112.2I39 V40 V75I39-G62 WeakPolarHBondContact CA-O 3.47Å; V40-G62 PolarHBondContact N-O 2.86Å; V40-G62 PolarHBondContact O-N 2.99Å; G62-V75 WeakPolarHBondContact CA-O 3.39Å
63R97.8Very high96.8Very high165 Ų16558.9 Ų58.962%0.62331%0.305SS*.EExtended strand (participates in β ladder)trans-110.2137.3175.7-73.6-178.4-1801730.9110.7D38 I39 Y65 I74 V75D38-R63 WeakPolarHBondContact O-CA 3.45Å; I39-R63 HydrophobicContact CG1-CG 4.22Å; R63-Y65 PolarHBondContact O-N 2.82Å; R63-I74 CarbonylContact O-C 3.5Å; R63-I74 WeakPolarHBondContact O-CA 3.43Å; R63-V75 PolarHBondContact N-O 3.31Å; R63-V75 VanDerWaalsContact N-O 3.09Å; R63-V75 PolarHBondContact O-N 3.42Å
64V98.1Very high96.8Very high5 Ų558.5 Ų58.53%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-70.2124.3176.3177.90000110.1K35 G37 D38 V40 V67 V72 G73K35-V64 WeakPolarHBondContact O-CB 3.28Å; G37-V64 PolarHBondContact N-O 3.09Å; D38-V64 HydrophobicContact CB-CG2 4.15Å; D38-V64 PolarHBondContact O-N 2.87Å; V40-V64 HydrophobicContact CG1-CG2 3.84Å; V40-V64 HydrophobicContact CG2-CG2 3.96Å; V64-V67 HydrophobicContact CG1-CG2 3.83Å; V64-V72 HydrophobicContact CB-CG1 4.01Å; V64-V72 HydrophobicContact CG1-CG1 3.35Å; V64-V72 HydrophobicContact CG2-CG1 3.53Å; V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.45Å
65Y97.7Very high96.9Very high59 Ų5957.3 Ų57.323%0.23130%0.3CS..EExtended strand (participates in β ladder)trans-106.7-25.3173.479.3-87.1000113.3K36 R63 G73 V75 R88 N90K36-Y65 VanDerWaalsContact CD-O 3.28Å; K36-Y65 WeakPolarHBondContact CD-O 3.32Å; K36-Y65 WeakPolarHBondContact CE-O 3.4Å; K36-Y65 WeakPolarHBondContact CG-O 3.22Å; R63-Y65 PolarHBondContact O-N 2.82Å; Y65-G73 WeakPolarHBondContact CD1-O 3.47Å; Y65-G73 PolarHBondContact N-O 2.82Å; Y65-V75 HydrophobicContact CD1-CG2 3.76Å; Y65-V75 HydrophobicContact CG-CG2 4.04Å; Y65-R88 HydrophobicContact CD1-CG 4.39Å; Y65-R88 HydrophobicContact CE1-CB 3.96Å; Y65-R88 HydrophobicContact CE1-CG 4.15Å; Y65-N90 PolarHBondContact OH-OD1 2.94Å
66N97.6Very high97Very high71 Ų7153.6 Ų53.638%0.3828%0.284SS..EExtended strand (participates in β ladder)trans-146.2151179.1-167.827.9000110.6G73N66-G73 PolarHBondContact N-O 3.16Å; N66-G73 PolarHBondContact O-N 3.44Å
67V97.4Very high97Very high68 Ų6856.8 Ų56.841%0.41230%0.298SS..EExtended strand (participates in β ladder)trans-126.8132.3176.1-1770000107.6V64V64-V67 HydrophobicContact CG1-CG2 3.83Å
68T96.3Very high97Very high72 Ų7258.8 Ų58.844%0.44231%0.308SS..  trans-128.5172.8179.365.60000109.3H70 A71T68-H70 VanDerWaalsContact C-N 3.29Å; T68-H70 PolarHBondContact O-N 3.24Å; T68-H70 VanDerWaalsContact O-N 3.13Å; T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 PolarHBondContact OG1-N 3.03Å; T68-A71 PolarHBondContact OG1-O 3.24Å
69Q95.6Very high97Very high168 Ų16864 Ų6479%0.78533%0.332SS*.SBendtrans-50.9-41.5-174.1-173.1-178.9-6.800114.7
70H94.6Very high97Very high106 Ų10664 Ų6449%0.49132%0.32SS..SBendtrans-123-6.3-176.1-60-56.1000114.2T68 I93T68-H70 VanDerWaalsContact C-N 3.29Å; T68-H70 PolarHBondContact O-N 3.24Å; T68-H70 VanDerWaalsContact O-N 3.13Å; H70-I93 PolarHBondContact O-N 2.75Å
71A96.4Very high96.8Very high19 Ų1968.4 Ų68.416%0.15734%0.339CS..EExtended strand (participates in β ladder)trans-142.7160-170.400000112.1T68 V91 R92T68-A71 PolarHBondContact N-O 2.81Å; T68-A71 PolarHBondContact OG1-N 3.03Å; T68-A71 PolarHBondContact OG1-O 3.24Å; A71-V91 WeakPolarHBondContact CA-O 3.14Å; A71-V91 WeakPolarHBondContact CB-O 3.33Å; A71-R92 HydrophobicContact CB-CG 4.29Å
72V97.9Very high96.7Very high2 Ų268.8 Ų68.81%0.01236%0.357CS..EExtended strand (participates in β ladder)trans-121.4132.3178.7-175.20000108.3Y34 V64 I74 V91 I93 I96Y34-V72 HydrophobicContact CD2-CG2 4.34Å; Y34-V72 HydrophobicContact CG-CG2 4.22Å; V64-V72 HydrophobicContact CB-CG1 4.01Å; V64-V72 HydrophobicContact CG1-CG1 3.35Å; V64-V72 HydrophobicContact CG2-CG1 3.53Å; V72-I74 HydrophobicContact CG1-CG1 4.22Å; V72-V91 PolarHBondContact N-O 3.46Å; V72-V91 PolarHBondContact O-N 2.59Å; V72-I93 HydrophobicContact CG2-CG1 4.13Å; V72-I96 HydrophobicContact CB-CD1 3.71Å; V72-I96 HydrophobicContact CG2-CD1 4.12Å
73G98Very high96.7Very high2 Ų276 Ų762%0.02139%0.386CS..EExtended strand (participates in β ladder)trans-81.8120.2170.400000109.9V64 Y65 N66 I89V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.45Å; Y65-G73 WeakPolarHBondContact CD1-O 3.47Å; Y65-G73 PolarHBondContact N-O 2.82Å; N66-G73 PolarHBondContact N-O 3.16Å; N66-G73 PolarHBondContact O-N 3.44Å; G73-I89 CarbonylContact C-O 3.57Å; G73-I89 WeakPolarHBondContact CA-O 3.36Å
74I98.3Very high96.7Very high0 Ų074 Ų740%039%0.387CS..EExtended strand (participates in β ladder)trans-117.8137.2-178.4-54.3166.1000110V40 I42 R63 V72 V76 R88 I89 V91 I96V40-I74 HydrophobicContact CG2-CD1 3.6Å; V40-I74 HydrophobicContact CG2-CG1 3.83Å; V40-I74 HydrophobicContact CG2-CG2 4.1Å; I42-I74 HydrophobicContact CD1-CD1 4.23Å; I42-I74 HydrophobicContact CD1-CG2 4.25Å; I42-I74 HydrophobicContact CG1-CD1 3.82Å; R63-I74 CarbonylContact O-C 3.5Å; R63-I74 WeakPolarHBondContact O-CA 3.43Å; V72-I74 HydrophobicContact CG1-CG1 4.22Å; I74-V76 HydrophobicContact CG2-CG2 3.8Å; I74-R88 WeakPolarHBondContact O-CA 3.49Å; I74-I89 HydrophobicContact CB-CG1 4.06Å; I74-I89 PolarHBondContact N-O 3.31Å; I74-I89 WeakPolarHBondContact O-CG1 3.24Å; I74-I89 PolarHBondContact O-N 3.29Å; I74-V91 HydrophobicContact CD1-CB 4.39Å; I74-I96 HydrophobicContact CD1-CD1 3.62Å; I74-I96 HydrophobicContact CD1-CG1 3.82Å; I74-I96 HydrophobicContact CD1-CG2 4.33Å; I74-I96 HydrophobicContact CG1-CD1 4.49Å
75V98Very high96.6Very high40 Ų4077.2 Ų77.224%0.24240%0.403CS..EExtended strand (participates in β ladder)trans-94122.2167.3-1700000108.6G62 R63 Y65 A86 K87 R88G62-V75 WeakPolarHBondContact CA-O 3.39Å; R63-V75 PolarHBondContact N-O 3.31Å; R63-V75 VanDerWaalsContact N-O 3.09Å; R63-V75 PolarHBondContact O-N 3.42Å; Y65-V75 HydrophobicContact CD1-CG2 3.76Å; Y65-V75 HydrophobicContact CG-CG2 4.04Å; V75-A86 HydrophobicContact CG1-CB 3.9Å; V75-K87 WeakPolarHBondContact CA-O 3.45Å; V75-R88 HydrophobicContact CG2-CG 4.26Å
76V97.8Very high96.6Very high2 Ų277.8 Ų77.81%0.01242%0.42CS..EExtended strand (participates in β ladder)trans-124.9135.3178-174.20000109.4I42 Y57 K60 I74 K78 K87 I89I42-V76 HydrophobicContact CD1-CG2 3.38Å; Y57-V76 HydrophobicContact CD1-CB 4.18Å; Y57-V76 HydrophobicContact CD1-CG1 4.03Å; Y57-V76 HydrophobicContact CE1-CB 4.47Å; K60-V76 HydrophobicContact CB-CG1 3.71Å; K60-V76 HydrophobicContact CG-CG1 4.2Å; I74-V76 HydrophobicContact CG2-CG2 3.8Å; V76-K78 PolarHBondContact O-N 2.68Å; V76-K87 PolarHBondContact N-O 2.99Å; V76-K87 PolarHBondContact O-N 2.82Å; V76-I89 HydrophobicContact CG2-CD1 3.89Å; V76-I89 HydrophobicContact CG2-CG1 4.31Å
77N96.6Very high96.6Very high108 Ų10878 Ų7858%0.57842%0.418SS*.EExtended strand (participates in β ladder)trans-77.6121.8173.2-70.1-13.2000109.8I84N77-I84 HydrophobicContact CB-CG2 3.8Å
78K96Very high96.6Very high71 Ų7183.9 Ų83.931%0.30943%0.432SS..EExtended strand (participates in β ladder)trans-118.7122.7175.6-177.6176.21781790109.3Y57 V76 V80 L85 K87Y57-K78 HydrophobicContact CE1-CB 4.36Å; Y57-K78 HydrophobicContact CE1-CD 4.11Å; V76-K78 PolarHBondContact O-N 2.68Å; K78-V80 HydrophobicContact CD-CG2 4.3Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; K78-L85 PolarHBondContact N-O 3.42Å; K78-L85 PolarHBondContact O-N 3.11Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å
79Q95.8Very high96.6Very high143 Ų14381.4 Ų81.467%0.66842%0.416SS*.EExtended strand (participates in β ladder)trans-73127.9169.3-170.5175.50.300109.7K83Q79-K83 WeakPolarHBondContact CA-O 3.35Å
80V95.3Very high96.7Very high60 Ų6078.9 Ų78.936%0.36441%0.408SS..EExtended strand (participates in β ladder)trans-130.8110.3175.3-177.30000107K78 G82 K83 L85K78-V80 HydrophobicContact CD-CG2 4.3Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; V80-G82 PolarHBondContact O-N 2.88Å; V80-K83 PolarHBondContact N-O 3.38Å; V80-K83 PolarHBondContact O-N 3.13Å; V80-K83 VanDerWaalsContact O-N 3.16Å; V80-L85 HydrophobicContact CB-CD1 4.22Å; V80-L85 HydrophobicContact CG2-CD1 4.13Å
81K93.9Very high96.8Very high200 Ų20073.9 Ų73.987%0.8739%0.385SS*.THydrogen-bonded Turntrans54.1-125.9-169.3-56.9179.2175.4-176.10109.7
82G95.3Very high96.9Very high77 Ų7776.1 Ų76.179%0.79439%0.389SS*.THydrogen-bonded Turntrans-872.9179.500000116V80V80-G82 PolarHBondContact O-N 2.88Å
83K96.9Very high96.8Very high159 Ų15977.3 Ų77.369%0.69140%0.395SS*.EExtended strand (participates in β ladder)trans-119.1143.5-175-63.8-176.2-179.7-177.40111.9Q79 V80Q79-K83 WeakPolarHBondContact CA-O 3.35Å; V80-K83 PolarHBondContact N-O 3.38Å; V80-K83 PolarHBondContact O-N 3.13Å; V80-K83 VanDerWaalsContact O-N 3.16Å
84I96.7Very high96.7Very high123 Ų12377.8 Ų77.863%0.63140%0.397SS*.EExtended strand (participates in β ladder)trans-95.9118.9173-59.9173.9000108.3N77N77-I84 HydrophobicContact CB-CG2 3.8Å
85L96.6Very high96.7Very high71 Ų7177.8 Ų77.837%0.37240%0.397SS..EExtended strand (participates in β ladder)trans-111.5133.9-179.3-60.1178.1000110.4K78 V80 K87K78-L85 PolarHBondContact N-O 3.42Å; K78-L85 PolarHBondContact O-N 3.11Å; V80-L85 HydrophobicContact CB-CD1 4.22Å; V80-L85 HydrophobicContact CG2-CD1 4.13Å; L85-K87 PolarHBondContact O-N 3Å
86A97.1Very high96.6Very high71 Ų7176 Ų7659%0.58739%0.386SS*.EExtended strand (participates in β ladder)trans-72.3116.2168.400000109.4V75V75-A86 HydrophobicContact CG1-CB 3.9Å
87K97.6Very high96.5Very high77 Ų7780.7 Ų80.734%0.33541%0.406SS..EExtended strand (participates in β ladder)trans-107.5125.3177.3-65-61.9-177.5-1750109.7Y57 V75 V76 K78 L85Y57-K87 HydrophobicContact CE1-CB 4.18Å; V75-K87 WeakPolarHBondContact CA-O 3.45Å; V76-K87 PolarHBondContact N-O 2.99Å; V76-K87 PolarHBondContact O-N 2.82Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å; L85-K87 PolarHBondContact O-N 3Å
88R97.8Very high96.5Very high190 Ų19079 Ų7972%0.71740%0.395SS*.EExtended strand (participates in β ladder)trans-86.9126.6171.5-65.6-178.1179.6171.50.6108.8Y65 I74 V75Y65-R88 HydrophobicContact CD1-CG 4.39Å; Y65-R88 HydrophobicContact CE1-CB 3.96Å; Y65-R88 HydrophobicContact CE1-CG 4.15Å; I74-R88 WeakPolarHBondContact O-CA 3.49Å; V75-R88 HydrophobicContact CG2-CG 4.26Å
89I97.2Very high96.5Very high21 Ų2176.3 Ų76.311%0.10839%0.385CS..EExtended strand (participates in β ladder)trans-128.8145.2177.561.7173.1000109.6I42 Y57 G73 I74 V76 V91I42-I89 HydrophobicContact CD1-CD1 3.63Å; Y57-I89 HydrophobicContact CD1-CD1 4.46Å; Y57-I89 HydrophobicContact CD2-CD1 4.27Å; Y57-I89 HydrophobicContact CD2-CG2 4.06Å; Y57-I89 HydrophobicContact CE1-CG2 4.3Å; Y57-I89 HydrophobicContact CE2-CG2 3.67Å; Y57-I89 HydrophobicContact CG-CD1 4.04Å; G73-I89 CarbonylContact C-O 3.57Å; G73-I89 WeakPolarHBondContact CA-O 3.36Å; I74-I89 HydrophobicContact CB-CG1 4.06Å; I74-I89 PolarHBondContact N-O 3.31Å; I74-I89 WeakPolarHBondContact O-CG1 3.24Å; I74-I89 PolarHBondContact O-N 3.29Å; V76-I89 HydrophobicContact CG2-CD1 3.89Å; V76-I89 HydrophobicContact CG2-CG1 4.31Å; I89-V91 HydrophobicContact CB-CG2 4.27Å; I89-V91 HydrophobicContact CD1-CG2 3.59Å; I89-V91 HydrophobicContact CG1-CG2 3.85Å
90N97.3Very high96.4Very high114 Ų11478.2 Ų78.261%0.6139%0.391SS*.EExtended strand (participates in β ladder)trans-105.9117.4173.4-62.3-23.8000107.6Y65Y65-N90 PolarHBondContact OH-OD1 2.94Å
91V97.4Very high96.2Very high1 Ų178.7 Ų78.71%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-130.1136.9-173.2179.30000108.2G51 P53 A71 V72 I74 I89 H95 I96G51-V91 WeakPolarHBondContact O-CA 3.33Å; P53-V91 HydrophobicContact CB-CG2 4.19Å; P53-V91 HydrophobicContact CG-CG1 4.48Å; A71-V91 WeakPolarHBondContact CA-O 3.14Å; A71-V91 WeakPolarHBondContact CB-O 3.33Å; V72-V91 PolarHBondContact N-O 3.46Å; V72-V91 PolarHBondContact O-N 2.59Å; I74-V91 HydrophobicContact CD1-CB 4.39Å; I89-V91 HydrophobicContact CB-CG2 4.27Å; I89-V91 HydrophobicContact CD1-CG2 3.59Å; I89-V91 HydrophobicContact CG1-CG2 3.85Å; V91-H95 HydrophobicContact CG1-CB 3.58Å; V91-I96 HydrophobicContact CB-CD1 3.96Å; V91-I96 HydrophobicContact CB-CG1 4.24Å; V91-I96 HydrophobicContact CG1-CD1 3.95Å; V91-I96 HydrophobicContact CG1-CG1 3.74Å; V91-I96 WeakPolarHBondContact O-CD1 3.49Å
92R97.4Very high96.2Very high66 Ų6674.1 Ų74.125%0.24937%0.374CS..EExtended strand (participates in β ladder)trans-72.1157.3176.6-73.5-172.9170.2-158.8-8.3112.5K50 G51 A71 E94 H95 I96K50-R92 WeakPolarHBondContact O-CD 3.15Å; G51-R92 PolarHBondContact O-N 2.78Å; A71-R92 HydrophobicContact CB-CG 4.29Å; R92-E94 WeakPolarHBondContact CB-OE2 3.47Å; R92-E94 IonicContact NH1-OE1 3.53Å; R92-E94 PolarHBondContact O-N 2.87Å; R92-H95 PolarHBondContact O-N 3.45Å; R92-H95 VanDerWaalsContact O-N 3.07Å; R92-I96 WeakPolarHBondContact O-CD1 3.33Å; R92-I96 WeakPolarHBondContact O-CG1 3.27Å
93I96.6Very high96.1Very high27 Ų2774.2 Ų74.214%0.13836%0.356CS..G310 helixtrans-58.1-33-174-65.1164.5000112.2T29 Y34 H70 V72 H95 I96T29-I93 VanDerWaalsContact O-CG2 3.27Å; T29-I93 WeakPolarHBondContact O-CG2 3.43Å; Y34-I93 HydrophobicContact CD2-CG2 4.43Å; Y34-I93 HydrophobicContact CE2-CG2 3.78Å; H70-I93 PolarHBondContact O-N 2.75Å; V72-I93 HydrophobicContact CG2-CG1 4.13Å; I93-H95 PolarHBondContact O-N 3.12Å; I93-H95 VanDerWaalsContact O-N 3.16Å; I93-I96 PolarHBondContact O-N 2.9Å; I93-I96 VanDerWaalsContact O-N 3.12Å
94E96.3Very high95.8Very high12 Ų1270.2 Ų70.26%0.05635%0.349CS..G310 helixtrans-61.9-27.7-179.9-51.492.2147.500112.4Y30 M45 V48 R92Y30-E94 HydrophobicContact CE1-CG 3.57Å; M45-E94 WeakPolarHBondContact CE-O 3.48Å; M45-E94 HydrophobicContact SD-CB 4.5Å; V48-E94 HydrophobicContact CG2-CB 4.4Å; V48-E94 HydrophobicContact CG2-CG 4.04Å; R92-E94 WeakPolarHBondContact CB-OE2 3.47Å; R92-E94 IonicContact NH1-OE1 3.53Å; R92-E94 PolarHBondContact O-N 2.87Å
95H96.8Very high95.8Very high1 Ų168 Ų681%0.00534%0.335CS..G310 helixtrans-94.68.5-177.6-56-46.5000113.6K43 M45 V48 G51 P53 V91 R92 I93K43-H95 CarbonylContact C-O 3.6Å; K43-H95 PolarHBondContact N-O 3.1Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 WeakPolarHBondContact O-CA 3.34Å; M45-H95 PolarHBondContact N-ND1 3.4Å; M45-H95 PolarHBondContact O-CE1 2.81Å; M45-H95 VanDerWaalsContact O-CE1 3.32Å; V48-H95 PolarHBondContact O-CE1 3.06Å; V48-H95 PolarHBondContact O-NE2 3.49Å; G51-H95 PolarHBondContact O-CD2 3.18Å; P53-H95 HydrophobicContact CG-CB 4.39Å; V91-H95 HydrophobicContact CG1-CB 3.58Å; R92-H95 PolarHBondContact O-N 3.45Å; R92-H95 VanDerWaalsContact O-N 3.07Å; I93-H95 PolarHBondContact O-N 3.12Å; I93-H95 VanDerWaalsContact O-N 3.16Å
96I96.7Very high95.7Very high1 Ų168.3 Ų68.31%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-125.8147.4-172.7-57.4165.6000109.4Y34 V40 D41 V72 I74 V91 R92 I93Y34-I96 HydrophobicContact CD1-CG2 4.49Å; Y34-I96 HydrophobicContact CE1-CG2 3.76Å; Y34-I96 PolarHBondContact OH-O 3.19Å; V40-I96 HydrophobicContact CB-CG2 3.48Å; V40-I96 VanDerWaalsContact CB-CG2 3.48Å; V40-I96 HydrophobicContact CG1-CG2 3.88Å; V40-I96 HydrophobicContact CG2-CG2 3.78Å; D41-I96 WeakPolarHBondContact O-CA 2.98Å; V72-I96 HydrophobicContact CB-CD1 3.71Å; V72-I96 HydrophobicContact CG2-CD1 4.12Å; I74-I96 HydrophobicContact CD1-CD1 3.62Å; I74-I96 HydrophobicContact CD1-CG1 3.82Å; I74-I96 HydrophobicContact CD1-CG2 4.33Å; I74-I96 HydrophobicContact CG1-CD1 4.49Å; V91-I96 HydrophobicContact CB-CD1 3.96Å; V91-I96 HydrophobicContact CB-CG1 4.24Å; V91-I96 HydrophobicContact CG1-CD1 3.95Å; V91-I96 HydrophobicContact CG1-CG1 3.74Å; V91-I96 WeakPolarHBondContact O-CD1 3.49Å; R92-I96 WeakPolarHBondContact O-CD1 3.33Å; R92-I96 WeakPolarHBondContact O-CG1 3.27Å; I93-I96 PolarHBondContact O-N 2.9Å; I93-I96 VanDerWaalsContact O-N 3.12Å
97K95.7Very high95.6Very high101 Ų10170.3 Ų70.344%0.43933%0.332SS..EExtended strand (participates in β ladder)trans-140.1147.5171.8-59.5-176.3-176.9-178.60109.5V40 D41V40-K97 CarbonylContact C-O 3.48Å; V40-K97 VanDerWaalsContact CA-O 3.27Å; V40-K97 WeakPolarHBondContact CA-O 3.29Å; V40-K97 WeakPolarHBondContact CB-O 3.41Å; D41-K97 PolarHBondContact N-O 3.28Å; D41-K97 PolarHBondContact O-N 3.37Å
98H96.1Very high95.6Very high74 Ų7469.7 Ų69.734%0.34333%0.327SS..EExtended strand (participates in β ladder)trans-62.9137.2169-73.883.2000110.4I33 Y34 D38I33-H98 PolarHBondContact O-CE1 2.91Å; I33-H98 PolarHBondContact O-NE2 3.5Å; Y34-H98 AromaticContact CD1-CE1 3.35Å; Y34-H98 WeakPolarHBondContact CD1-CE1 3.34Å; Y34-H98 AromaticContact CD1-ND1 3.98Å; Y34-H98 AromaticContact CD1-NE2 3.63Å; Y34-H98 AromaticContact CE1-CE1 3.24Å; Y34-H98 WeakPolarHBondContact CE1-CE1 3.49Å; Y34-H98 AromaticContact CE1-ND1 3.39Å; Y34-H98 WeakPolarHBondContact CE1-ND1 3.47Å; Y34-H98 AromaticContact CE1-NE2 3.84Å; Y34-H98 AromaticContact CG-CE1 3.98Å; Y34-H98 AromaticContact CZ-CE1 3.76Å; Y34-H98 AromaticContact CZ-ND1 3.78Å; D38-H98 IonicContact OD2-CD2 3.9Å; D38-H98 IonicContact OD2-NE2 3.86Å; D38-H98 PolarHBondContact OD2-NE2 2.95Å
99S95.6Very high95.5Very high14 Ų1463 Ų6310%0.09831%0.307CS..  trans-79.5126.5177.4-166.80000110.8I39 D41 S101 R102I39-S99 PolarHBondContact O-N 3.47Å; D41-S99 PolarHBondContact OD1-OG 3.26Å; D41-S99 WeakPolarHBondContact OD2-CA 3.45Å; D41-S99 WeakPolarHBondContact OD2-CB 3.41Å; D41-S99 PolarHBondContact OD2-OG 3.12Å; S99-S101 PolarHBondContact O-N 3.35Å; S99-S101 PolarHBondContact OG-OG 3.07Å; S99-R102 PolarHBondContact O-N 3.46Å
100K93.8Very high95.5Very high182 Ų18269.5 Ų69.579%0.79134%0.335SS*.Hα-helixtrans-66.4-18.4176.1-65.8-173.6178.3-175.20113R102 D103 S104K100-R102 PolarHBondContact O-N 3.28Å; K100-D103 PolarHBondContact O-N 3.16Å; K100-S104 PolarHBondContact O-N 3.2Å
101S91.5Very high95.5Very high70 Ų7069 Ų6949%0.4933%0.329SS..Hα-helixtrans-58.8-33.9178.5620000113.1S99 S104S99-S101 PolarHBondContact O-N 3.35Å; S99-S101 PolarHBondContact OG-OG 3.07Å; S101-S104 PolarHBondContact O-OG 3.42Å
102R93.8Very high95.5Very high105 Ų10570.4 Ų70.440%0.39634%0.336SS..Hα-helixtrans-80.3-33.7179.3-173.157174.2-178.72.2112.4I39 S99 K100 F105 L106I39-R102 HydrophobicContact CB-CB 4.45Å; I39-R102 HydrophobicContact CD1-CB 4.26Å; I39-R102 HydrophobicContact CD1-CG 4.29Å; S99-R102 PolarHBondContact O-N 3.46Å; K100-R102 PolarHBondContact O-N 3.28Å; R102-F105 VanDerWaalsContact NH1-CD1 3.25Å; R102-F105 PolarHBondContact O-N 3.12Å; R102-L106 HydrophobicContact CG-CD1 3.96Å; R102-L106 HydrophobicContact CG-CG 4.18Å; R102-L106 WeakPolarHBondContact O-CG 3.41Å; R102-L106 PolarHBondContact O-N 3.38Å
103D92.8Very high95.5Very high78 Ų7872 Ų7242%0.41735%0.35SS..Hα-helixtrans-62.5-48.5-178.7-17838.4000111.6K100 F105 L106 K107K100-D103 PolarHBondContact O-N 3.16Å; D103-F105 VanDerWaalsContact C-N 3.29Å; D103-F105 PolarHBondContact O-N 3.19Å; D103-L106 PolarHBondContact O-N 2.92Å; D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3Å; D103-K107 VanDerWaalsContact OD1-CE 3.28Å; D103-K107 WeakPolarHBondContact OD1-CE 2.97Å; D103-K107 IonicContact OD1-NZ 2.75Å; D103-K107 WeakPolarHBondContact OD2-CE 3.5Å; D103-K107 IonicContact OD2-NZ 3.19Å; D103-K107 PolarHBondContact OD2-NZ 2.79Å
104S92.4Very high95.5Very high76 Ų7675.3 Ų75.353%0.53137%0.365SS..Hα-helixtrans-62.2-36.717763.30000112.8K100 S101 R108K100-S104 PolarHBondContact O-N 3.2Å; S101-S104 PolarHBondContact O-OG 3.42Å; S104-R108 WeakPolarHBondContact O-CB 3.27Å; S104-R108 PolarHBondContact O-N 3.26Å
105F95.1Very high95.5Very high77 Ų7779.8 Ų79.834%0.33838%0.384SS..Hα-helixtrans-64.8-47.1174.6175.8-92.8000111.9R102 D103 R108 V109R102-F105 VanDerWaalsContact NH1-CD1 3.25Å; R102-F105 PolarHBondContact O-N 3.12Å; D103-F105 VanDerWaalsContact C-N 3.29Å; D103-F105 PolarHBondContact O-N 3.19Å; F105-R108 VanDerWaalsContact CD2-NH2 3.32Å; F105-R108 PolarHBondContact O-N 2.81Å; F105-V109 HydrophobicContact CD1-CG2 4.05Å; F105-V109 HydrophobicContact CE1-CG2 3.55Å; F105-V109 HydrophobicContact CE2-CG2 4.3Å; F105-V109 HydrophobicContact CZ-CG2 3.68Å; F105-V109 WeakPolarHBondContact O-CG2 3.32Å; F105-V109 PolarHBondContact O-N 3.22Å
106L95.3Very high95.4Very high77 Ų7786 Ų8640%0.40341%0.411SS..Hα-helixtrans-65.8-39.6-178.5-71.6175.5000112.2R102 D103 R108 V109 K110R102-L106 HydrophobicContact CG-CD1 3.96Å; R102-L106 HydrophobicContact CG-CG 4.18Å; R102-L106 WeakPolarHBondContact O-CG 3.41Å; R102-L106 PolarHBondContact O-N 3.38Å; D103-L106 PolarHBondContact O-N 2.92Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-V109 PolarHBondContact O-N 3.48Å; L106-K110 PolarHBondContact O-N 3.01Å
107K95.8Very high95.4Very high112 Ų11292 Ų9249%0.48744%0.437SS..Hα-helixtrans-57-48.7172.4-74.3169.6174.9164.90111D103 V109 K110 E111D103-K107 WeakPolarHBondContact O-CG 3.49Å; D103-K107 PolarHBondContact O-N 3Å; D103-K107 VanDerWaalsContact OD1-CE 3.28Å; D103-K107 WeakPolarHBondContact OD1-CE 2.97Å; D103-K107 IonicContact OD1-NZ 2.75Å; D103-K107 WeakPolarHBondContact OD2-CE 3.5Å; D103-K107 IonicContact OD2-NZ 3.19Å; D103-K107 PolarHBondContact OD2-NZ 2.79Å; K107-V109 PolarHBondContact O-N 2.94Å; K107-K110 WeakPolarHBondContact O-CB 3.47Å; K107-K110 PolarHBondContact O-N 2.93Å; K107-E111 WeakPolarHBondContact O-CG 3.37Å; K107-E111 PolarHBondContact O-N 3.05Å
108R95.9Very high95.5Very high64 Ų6490.7 Ų90.724%0.24243%0.433CS..Hα-helixtrans-63.7-35.2177.5-175.3169.958.779.80.1113.9S104 F105 L106 E111 N112S104-R108 WeakPolarHBondContact O-CB 3.27Å; S104-R108 PolarHBondContact O-N 3.26Å; F105-R108 VanDerWaalsContact CD2-NH2 3.32Å; F105-R108 PolarHBondContact O-N 2.81Å; L106-R108 VanDerWaalsContact C-N 3.34Å; R108-E111 PolarHBondContact O-N 3.23Å; R108-N112 VanDerWaalsContact O-CB 3.29Å; R108-N112 WeakPolarHBondContact O-CB 3.4Å; R108-N112 VanDerWaalsContact O-CG 3.29Å; R108-N112 PolarHBondContact O-N 3.33Å
109V97.1Very high95.5Very high50 Ų5087.7 Ų87.730%0.30342%0.42SS..Hα-helixtrans-60-49.1174.3169.40000109.8F105 L106 K107 E111 N112 D113F105-V109 HydrophobicContact CD1-CG2 4.05Å; F105-V109 HydrophobicContact CE1-CG2 3.55Å; F105-V109 HydrophobicContact CE2-CG2 4.3Å; F105-V109 HydrophobicContact CZ-CG2 3.68Å; F105-V109 WeakPolarHBondContact O-CG2 3.32Å; F105-V109 PolarHBondContact O-N 3.22Å; L106-V109 PolarHBondContact O-N 3.48Å; K107-V109 PolarHBondContact O-N 2.94Å; V109-E111 PolarHBondContact O-N 2.98Å; V109-N112 PolarHBondContact O-N 3.12Å; V109-D113 VanDerWaalsContact O-CG 3.27Å; V109-D113 PolarHBondContact O-N 3.13Å
110K96.9Very high95.5Very high157 Ų15795.7 Ų95.768%0.68345%0.453SS*.Hα-helixtrans-60.7-44.9177.8-66.1179.6178.5-1730112.4L106 K107 N112 D113 Q114L106-K110 PolarHBondContact O-N 3.01Å; K107-K110 WeakPolarHBondContact O-CB 3.47Å; K107-K110 PolarHBondContact O-N 2.93Å; K110-N112 VanDerWaalsContact C-N 3.33Å; K110-N112 PolarHBondContact O-N 3.17Å; K110-D113 PolarHBondContact O-N 3.31Å; K110-Q114 PolarHBondContact O-N 3.45Å
111E96.9Very high95.6Very high104 Ų10493.6 Ų93.649%0.48645%0.446SS..Hα-helixtrans-61.2-41.1176.8-70.9165.3-161.700112.1K107 R108 V109 Q114 K115K107-E111 WeakPolarHBondContact O-CG 3.37Å; K107-E111 PolarHBondContact O-N 3.05Å; R108-E111 PolarHBondContact O-N 3.23Å; V109-E111 PolarHBondContact O-N 2.98Å; E111-Q114 PolarHBondContact O-N 3.13Å; E111-K115 WeakPolarHBondContact O-CG 3.42Å; E111-K115 PolarHBondContact O-N 3.04Å
112N97.3Very high95.8Very high30 Ų3097.5 Ų97.516%0.1646%0.455CS..Hα-helixtrans-67.7-40.1178.1-80.94.7000112R108 V109 K110 Q114 K115 K116 L128R108-N112 VanDerWaalsContact O-CB 3.29Å; R108-N112 WeakPolarHBondContact O-CB 3.4Å; R108-N112 VanDerWaalsContact O-CG 3.29Å; R108-N112 PolarHBondContact O-N 3.33Å; V109-N112 PolarHBondContact O-N 3.12Å; K110-N112 VanDerWaalsContact C-N 3.33Å; K110-N112 PolarHBondContact O-N 3.17Å; N112-Q114 VanDerWaalsContact C-N 3.32Å; N112-K115 PolarHBondContact O-N 2.96Å; N112-K116 WeakPolarHBondContact O-CB 3.46Å; N112-K116 PolarHBondContact O-N 3.32Å; N112-L128 HydrophobicContact CB-CD2 4.14Å; N112-L128 PolarHBondContact ND2-O 3.32Å
113D96.9Very high95.9Very high100 Ų10095.9 Ų95.954%0.53547%0.471SS..Hα-helixtrans-63.9-40.5176.9-68.7-25.2000111V109 K110 K116 K117V109-D113 VanDerWaalsContact O-CG 3.27Å; V109-D113 PolarHBondContact O-N 3.13Å; K110-D113 PolarHBondContact O-N 3.31Å; D113-K116 PolarHBondContact O-N 3.45Å; D113-K117 PolarHBondContact O-N 3.06Å
114Q96.6Very high96Very high97 Ų9796.2 Ų96.245%0.45348%0.476SS..Hα-helixtrans-62.2-50174.5-176.56028.700111.7K110 E111 N112 K116 K117 E118K110-Q114 PolarHBondContact O-N 3.45Å; E111-Q114 PolarHBondContact O-N 3.13Å; N112-Q114 VanDerWaalsContact C-N 3.32Å; Q114-K116 VanDerWaalsContact C-N 3.26Å; Q114-K116 PolarHBondContact O-N 3.4Å; Q114-K117 WeakPolarHBondContact O-CB 3.39Å; Q114-K117 PolarHBondContact O-N 2.72Å; Q114-K117 VanDerWaalsContact O-N 3.11Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q114-E118 PolarHBondContact NE2-OE1 3.39Å; Q114-E118 WeakPolarHBondContact O-CG 2.99Å; Q114-E118 PolarHBondContact O-N 2.77Å
115K96Very high96Very high105 Ų105102.7 Ų102.746%0.45749%0.488SS..Hα-helixtrans-58.8-37.8176.5-73.3175-177.6179.80112.5E111 N112 A119 L128E111-K115 WeakPolarHBondContact O-CG 3.42Å; E111-K115 PolarHBondContact O-N 3.04Å; N112-K115 PolarHBondContact O-N 2.96Å; K115-A119 VanDerWaalsContact O-CB 3.22Å; K115-A119 WeakPolarHBondContact O-CB 3.26Å; K115-A119 PolarHBondContact O-N 3.34Å; K115-L128 HydrophobicContact CB-CD2 4.16Å
116K96.3Very high96Very high133 Ų133101.5 Ų101.558%0.57849%0.487SS*.Hα-helixtrans-65.4-41177.3-171.5-177.6-179.4-176.20111.4N112 D113 Q114 K120 L128N112-K116 WeakPolarHBondContact O-CB 3.46Å; N112-K116 PolarHBondContact O-N 3.32Å; D113-K116 PolarHBondContact O-N 3.45Å; Q114-K116 VanDerWaalsContact C-N 3.26Å; Q114-K116 PolarHBondContact O-N 3.4Å; K116-K120 WeakPolarHBondContact O-CB 3.48Å; K116-K120 PolarHBondContact O-N 2.67Å; K116-K120 VanDerWaalsContact O-N 3.1Å; K116-L128 HydrophobicContact CB-CD1 4.45Å
117K96.7Very high96Very high127 Ų127102.9 Ų102.955%0.55249%0.492SS*.Hα-helixtrans-64.1-49.5176.8-171.5-178.8174.9-170.80111.1D113 Q114 A119 K120 E121D113-K117 PolarHBondContact O-N 3.06Å; Q114-K117 WeakPolarHBondContact O-CB 3.39Å; Q114-K117 PolarHBondContact O-N 2.72Å; Q114-K117 VanDerWaalsContact O-N 3.11Å; K117-A119 PolarHBondContact O-N 3.5Å; K117-K120 WeakPolarHBondContact O-CB 3.42Å; K117-K120 PolarHBondContact O-N 3.28Å; K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.31Å; K117-E121 PolarHBondContact O-N 2.94Å
118E96.5Very high96Very high73 Ų73100.4 Ų100.434%0.34148%0.483SS..Hα-helixtrans-61.6-41.2178.7-69.8170.8-166.300112.8Q114 K120 E121 K122Q114-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q114-E118 PolarHBondContact NE2-OE1 3.39Å; Q114-E118 WeakPolarHBondContact O-CG 2.99Å; Q114-E118 PolarHBondContact O-N 2.77Å; E118-K120 VanDerWaalsContact C-N 3.33Å; E118-E121 PolarHBondContact O-N 3.43Å; E118-K122 WeakPolarHBondContact O-CB 3.48Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.24Å
119A95.8Very high96Very high10 Ų10105.7 Ų105.78%0.08351%0.508CS..Hα-helixtrans-64.5-39.117700000111.6K115 K117 K122 G123 T124 V126K115-A119 VanDerWaalsContact O-CB 3.22Å; K115-A119 WeakPolarHBondContact O-CB 3.26Å; K115-A119 PolarHBondContact O-N 3.34Å; K117-A119 PolarHBondContact O-N 3.5Å; A119-K122 PolarHBondContact O-N 3.4Å; A119-G123 PolarHBondContact O-N 3.44Å; A119-T124 WeakPolarHBondContact CB-O 3.36Å; A119-T124 PolarHBondContact O-N 2.71Å; A119-V126 HydrophobicContact CB-CB 3.91Å; A119-V126 HydrophobicContact CB-CG1 3.56Å
120K96Very high95.9Very high182 Ų182112.2 Ų112.279%0.79153%0.527SS*.Hα-helixtrans-65.1-41.9175.3-171.1-179.9-179.9-174.70112K116 K117 E118 G123K116-K120 WeakPolarHBondContact O-CB 3.48Å; K116-K120 PolarHBondContact O-N 2.67Å; K116-K120 VanDerWaalsContact O-N 3.1Å; K117-K120 WeakPolarHBondContact O-CB 3.42Å; K117-K120 PolarHBondContact O-N 3.28Å; E118-K120 VanDerWaalsContact C-N 3.33Å; K120-G123 PolarHBondContact O-N 2.93Å
121E96.4Very high95.8Very high138 Ų138110.6 Ų110.665%0.64552%0.522SS*.Hα-helixtrans-65.6-38.8177.1-72.3170.2-173.500112K117 E118 G123K117-E121 WeakPolarHBondContact CE-OE1 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.31Å; K117-E121 PolarHBondContact O-N 2.94Å; E118-E121 PolarHBondContact O-N 3.43Å; E121-G123 VanDerWaalsContact C-N 3.34Å
122K96.3Very high95.8Very high153 Ų153110.5 Ų110.567%0.66553%0.531SS*.Hα-helixtrans-82.2-9.1177.9-67175.6-178.2176.30114E118 A119 T124E118-K122 WeakPolarHBondContact O-CB 3.48Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 3.24Å; A119-K122 PolarHBondContact O-N 3.4Å; K122-T124 HydrophobicContact CB-CG2 4.22Å; K122-T124 PolarHBondContact O-N 3.45Å
123G94.4Very high95.7Very high71 Ų71113.8 Ų113.873%0.73256%0.562SS**THydrogen-bonded Turntrans6718.3-173.500000114.4A119 K120 E121A119-G123 PolarHBondContact O-N 3.44Å; K120-G123 PolarHBondContact O-N 2.93Å; E121-G123 VanDerWaalsContact C-N 3.34Å
124T95.3Very high95.6Very high85 Ų85114 Ų11452%0.52157%0.568SS.*  trans-98.3153.9-178.858.10000111.8A119 K122A119-T124 WeakPolarHBondContact CB-O 3.36Å; A119-T124 PolarHBondContact O-N 2.71Å; K122-T124 HydrophobicContact CB-CG2 4.22Å; K122-T124 PolarHBondContact O-N 3.45Å
125W93.3Very high95.7Very high211 Ų211114.9 Ų114.980%0.79958%0.583SS**  trans-87.2140.8173.7-177.488.5000110.9Q127W125-Q127 HydrophobicContact CH2-CB 3.72Å; W125-Q127 HydrophobicContact CH2-CG 4.2Å; W125-Q127 HydrophobicContact CZ3-CB 3.84Å
126V95.1Very high95.6Very high52 Ų52121.1 Ų121.132%0.31560%0.604SS.*  trans-130.2132.6-179.666.20000112.4A119 L128A119-V126 HydrophobicContact CB-CB 3.91Å; A119-V126 HydrophobicContact CB-CG1 3.56Å; V126-L128 HydrophobicContact CG1-CD2 4.16Å; V126-L128 HydrophobicContact CG1-CG 4.27Å; V126-L128 HydrophobicContact CG2-CD2 4.35Å
127Q94.6Very high95.6Very high106 Ų106122.9 Ų122.950%0.49561%0.614SS.*  trans-85.9110.8173.4-172.4172.8-7900111.2W125W125-Q127 HydrophobicContact CH2-CB 3.72Å; W125-Q127 HydrophobicContact CH2-CG 4.2Å; W125-Q127 HydrophobicContact CZ3-CB 3.84Å
128L95.4Very high95.6Very high60 Ų60122.2 Ų122.231%0.31463%0.632SS.*  trans-93.4-11.1-178.5-62.5173000114.3N112 K115 K116 V126N112-L128 HydrophobicContact CB-CD2 4.14Å; N112-L128 PolarHBondContact ND2-O 3.32Å; K115-L128 HydrophobicContact CB-CD2 4.16Å; K116-L128 HydrophobicContact CB-CD1 4.45Å; V126-L128 HydrophobicContact CG1-CD2 4.16Å; V126-L128 HydrophobicContact CG1-CG 4.27Å; V126-L128 HydrophobicContact CG2-CD2 4.35Å
129K95.8Very high95.5Very high175 Ų175125.3 Ų125.376%0.76165%0.646SS**SBendtrans-76141.6179.5-69.7-176.8-179.1176.10109.9
130R95.1Very high95.4Very high188 Ų188132.8 Ų132.871%0.70968%0.677SS**  trans-72.5140.1172.1-65.9-179.6-67.5174.52.6109.1
131Q95.1Very high95.3Very high122 Ų122129.2 Ų129.257%0.5767%0.67SS**  trans-105.5146.8172.4-61.8-58.8-18.600110
132P96.8Very high95Very high103 Ų103131.4 Ų131.467%0.66967%0.673SS**PPolyproline II helixtrans-63.6168.3166.630.5-34.3000110.2P134P132-P134 WeakPolarHBondContact O-CD 2.79Å
133A96.3Very high94.6Very high98 Ų98128.2 Ų128.281%0.8167%0.666SS**PPolyproline II helixtrans-59120.7173.100000109.2
134P95.1Very high94.2Very high104 Ų104131.6 Ų131.668%0.67567%0.667SS**PPolyproline II helixtrans-71.1162.3175.830.7-34.3000110.3P132P132-P134 WeakPolarHBondContact O-CD 2.79Å
135P97.3Very high93.7Very high117 Ų117131.5 Ų131.576%0.7668%0.683SS**PPolyproline II helixtrans-55.2146.1165.624.7-32.3000109.8E137P135-E137 PolarHBondContact O-N 3.34Å
136R95.4Very high93.4Very high236 Ų236129.6 Ų129.689%0.89168%0.681SS**PPolyproline II helixtrans-62.8131.9177.9-69.7-178176-179.4-1.5109.1
137E95.8Very high93.1Very high170 Ų170135.6 Ų135.679%0.79471%0.705SS**PPolyproline II helixtrans-70.3158173.5-65.7179.6-179.400110.6P135 H139P135-E137 PolarHBondContact O-N 3.34Å; E137-H139 PolarHBondContact O-N 3.41Å
138A95.9Very high93Very high112 Ų112136.1 Ų136.193%0.92672%0.718SS**PPolyproline II helixtrans-59.7129.7172.100000109.1
139H95.1Very high92.8Very high139 Ų139141.7 Ų141.764%0.64474%0.742SS**  trans-138.5149.9175.370.3-73.3000109.8E137 V141E137-H139 PolarHBondContact O-N 3.41Å; H139-V141 WeakPolarHBondContact NE2-CG2 3.4Å
140F94.3Very high92.6Very high167 Ų167140.6 Ų140.673%0.73274%0.744SS**  trans-91.3123.8177.6-173.3-111.7000109.9R142F140-R142 HydrophobicContact CD1-CG 3.54Å; F140-R142 HydrophobicContact CE1-CG 3.35Å; F140-R142 HydrophobicContact CZ-CG 4.5Å
141V92.2Very high92.6Very high107 Ų107138.7 Ų138.765%0.64875%0.747SS**  trans-94.7115.3175-178.70000108.3H139H139-V141 WeakPolarHBondContact NE2-CG2 3.4Å
142R91.1Very high92.5Very high184 Ų184140.4 Ų140.469%0.69476%0.755SS**  trans-91.7133172.6-72.6-179.5-178.3-176.30.9109.9F140 N144F140-R142 HydrophobicContact CD1-CG 3.54Å; F140-R142 HydrophobicContact CE1-CG 3.35Å; F140-R142 HydrophobicContact CZ-CG 4.5Å; R142-N144 VanDerWaalsContact C-N 3.33Å; R142-N144 WeakPolarHBondContact CB-OD1 3.36Å
143T87.4Confident92.4Very high85 Ų85141.6 Ų141.652%0.52176%0.763SS.*  trans-74.1-20.5177.838.10000113.2G145 K146 P148T143-G145 PolarHBondContact O-N 2.88Å; T143-K146 WeakPolarHBondContact CB-O 3.31Å; T143-K146 WeakPolarHBondContact CG2-O 3.3Å; T143-K146 WeakPolarHBondContact O-CB 3.48Å; T143-K146 PolarHBondContact O-N 3.45Å; T143-P148 HydrophobicContact CG2-CG 4.38Å
144N86.3Confident92.2Very high143 Ų143144 Ų14477%0.76576%0.761SS**THydrogen-bonded Turntrans41.345.8177.8-70.7-7.3000113.5R142 K146R142-N144 VanDerWaalsContact C-N 3.33Å; R142-N144 WeakPolarHBondContact CB-OD1 3.36Å; N144-K146 VanDerWaalsContact C-N 3.35Å; N144-K146 PolarHBondContact O-N 3.38Å
145G85.4Confident92Very high83 Ų83143.7 Ų143.786%0.85676%0.758SS**THydrogen-bonded Turntrans81.13.8179.800000115.8T143T143-G145 PolarHBondContact O-N 2.88Å
146K87.2Confident91.5Very high171 Ų171147 Ų14774%0.74376%0.757SS**  trans-103.9113.8170.8-66.8-175.7177.3-175.10110.4T143 N144T143-K146 WeakPolarHBondContact CB-O 3.31Å; T143-K146 WeakPolarHBondContact CG2-O 3.3Å; T143-K146 WeakPolarHBondContact O-CB 3.48Å; T143-K146 PolarHBondContact O-N 3.45Å; N144-K146 VanDerWaalsContact C-N 3.35Å; N144-K146 PolarHBondContact O-N 3.38Å
147E87.9Confident91.1Very high177 Ų177141.8 Ų141.883%0.82774%0.743SS**PPolyproline II helixtrans-72.2144.5175.2-63.7-176.6171.700110.6E149E147-E149 PolarHBondContact O-N 3.34Å
148P92.3Very high90.2Very high118 Ų118142.3 Ų142.377%0.76674%0.743SS**PPolyproline II helixtrans-61.5126.5172.8-21.233000111.1T143T143-P148 HydrophobicContact CG2-CG 4.38Å
149E90.9Very high89.4Confident176 Ų176144.7 Ų144.782%0.82274%0.737SS**PPolyproline II helixtrans-78.9127.9175.3-68.5175.7-172.900110.4E147E147-E149 PolarHBondContact O-N 3.34Å
150L93Very high88.2Confident152 Ų152146.4 Ų146.480%0.79678%0.775SS**PPolyproline II helixtrans-80.6125.8171-175.767.9000109
151L93.5Very high87.9Confident148 Ų148145.4 Ų145.478%0.77578%0.777SS**  trans-113135.2176.4-63.1176.3000109.9
152E93.4Very high87.7Confident159 Ų159147.4 Ų147.474%0.74378%0.784SS**  trans-110.1148.8178.3-66.6-175.7173.900111.2I154E152-I154 PolarHBondContact O-N 3.06Å
153P94.4Very high87.5Confident127 Ų127145.4 Ų145.483%0.82579%0.789SS**PPolyproline II helixtrans-66.1133.6175.827.5-33.1000110.8
154I91.8Very high87.5Confident150 Ų150148.9 Ų148.977%0.76980%0.804SS**PPolyproline II helixtrans-76.9135.8176.4-55.5173.7000108.8E152E152-I154 PolarHBondContact O-N 3.06Å
155P90.8Very high87.6Confident96 Ų96149.3 Ų149.362%0.62381%0.807SS**PPolyproline II helixtrans-63.9158.117427.3-34.9000112E157P155-E157 PolarHBondContact O-N 3.05Å
156Y88.4Confident87.7Confident187 Ų187153.7 Ų153.773%0.73380%0.804SS**PPolyproline II helixtrans-66.4124.9175.3176.1-95.6000110.7F158Y156-F158 AromaticContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CE2 4.35Å; Y156-F158 AromaticContact CZ-CD2 3.91Å; Y156-F158 WeakPolarHBondContact OH-CD2 3.14Å; Y156-F158 WeakPolarHBondContact OH-CE2 3.21Å
157E86.8Confident87.8Confident127 Ų127152.5 Ų152.559%0.59381%0.808SS**  trans-125.2139.2174.3-67.3-175.1170.300110.2P155 M159P155-E157 PolarHBondContact O-N 3.05Å; E157-M159 PolarHBondContact O-N 3.49Å
158F76.8Confident87.8Confident181 Ų181150.6 Ų150.679%0.79481%0.807SS**  trans-82107.7173.3-127.4-80.6000108.7Y156Y156-F158 AromaticContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CD2 3.81Å; Y156-F158 HydrophobicContact CE1-CE2 4.35Å; Y156-F158 AromaticContact CZ-CD2 3.91Å; Y156-F158 WeakPolarHBondContact OH-CD2 3.14Å; Y156-F158 WeakPolarHBondContact OH-CE2 3.21Å
159M77.4Confident87.4Confident162 Ų162153.3 Ų153.380%0.79881%0.81SS**  trans-94.7120172-70.8-174.9175.700109.7E157E157-M159 PolarHBondContact O-N 3.49Å
160A71.5Confident87.1Confident175 Ų175151.3 Ų151.3100%1.44681%0.809SS**  trans-89.80173.900000111.9

Retrieved 160 of 160 residues in 59.3 ms (Link to these results)