A0A059XG67_HUMAN Loading...

UPF1

AlphaFold DB , UniProt , Accession A0A059XG67, Species HUMAN (Homo sapiens, Human), Gene UPF1, Length 93 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
1M91.4Very high97.2Very high201 Ų201102 Ų10299%0.9957%0.573SS**  0-530-65.8-179.276.400112.5S3 A4 L5M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.41Å; M1-A4 PolarHBondContact O-N 3.44Å; M1-A4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.13Å
2Q97Very high97Very high155 Ų155109.2 Ų109.272%0.72460%0.599SS**Hα-helixtrans-52.9-43.5-176.7-67.3-62.8-12.700114.8A4 L5 K6Q2-A4 PolarHBondContact O-N 2.95Å; Q2-L5 PolarHBondContact O-N 3.08Å; Q2-K6 PolarHBondContact O-N 3.13Å
3S97.8Very high97Very high94 Ų94110.2 Ų110.266%0.65761%0.611SS**Hα-helixtrans-58.4-47.8176.6-171.10000112.5M1 L5 K6 T7M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.41Å; S3-L5 PolarHBondContact O-N 3.01Å; S3-K6 WeakPolarHBondContact O-CB 3.33Å; S3-K6 PolarHBondContact O-N 3.19Å; S3-T7 PolarHBondContact O-N 3.43Å; S3-T7 PolarHBondContact O-OG1 3.46Å
4A97.9Very high97Very high68 Ų68105.6 Ų105.656%0.56259%0.589SS**Hα-helixtrans-64.8-37.818000000112.8M1 Q2 T7 F8M1-A4 PolarHBondContact O-N 3.44Å; M1-A4 VanDerWaalsContact O-N 3.09Å; Q2-A4 PolarHBondContact O-N 2.95Å; A4-T7 PolarHBondContact O-N 3.04Å; A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.46Å
5L98.3Very high97.1Very high98 Ų98101.6 Ų101.651%0.51357%0.569SS.*Hα-helixtrans-65.6-41.3174.5-67.7175.5000111.6M1 Q2 S3 F8 A9M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.13Å; Q2-L5 PolarHBondContact O-N 3.08Å; S3-L5 PolarHBondContact O-N 3.01Å; L5-F8 PolarHBondContact O-N 3.42Å; L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 2.93Å
6K98.2Very high97.1Very high146 Ų14699 Ų9964%0.63556%0.559SS**Hα-helixtrans-61-49.2174.4-174.6178.9179.4-178.40110.4Q2 S3 F8 A9 V10Q2-K6 PolarHBondContact O-N 3.13Å; S3-K6 WeakPolarHBondContact O-CB 3.33Å; S3-K6 PolarHBondContact O-N 3.19Å; K6-F8 PolarHBondContact O-N 3.46Å; K6-A9 PolarHBondContact O-N 3.33Å; K6-A9 VanDerWaalsContact O-N 3.11Å; K6-V10 HydrophobicContact CG-CG1 4.28Å; K6-V10 HydrophobicContact CG-CG2 4.38Å; K6-V10 WeakPolarHBondContact O-CG1 3.09Å; K6-V10 VanDerWaalsContact O-CG2 3.24Å; K6-V10 WeakPolarHBondContact O-CG2 3.48Å; K6-V10 PolarHBondContact O-N 3.41Å
7T98.3Very high97.1Very high58 Ų5895.9 Ų95.936%0.35655%0.554SS.*Hα-helixtrans-56.2-49.3176.5-60.80000111.5S3 A4 A9 V10 D11S3-T7 PolarHBondContact O-N 3.43Å; S3-T7 PolarHBondContact O-OG1 3.46Å; A4-T7 PolarHBondContact O-N 3.04Å; T7-A9 PolarHBondContact O-N 3.29Å; T7-V10 PolarHBondContact O-N 3.02Å; T7-D11 HydrophobicContact CG2-CB 4.23Å; T7-D11 WeakPolarHBondContact O-CB 3.47Å; T7-D11 PolarHBondContact O-N 3.24Å
8F98.3Very high97.2Very high56 Ų5692.9 Ų92.925%0.24653%0.533CS..Hα-helixtrans-60.1-30.6177.5-178.2-112.6000113.5A4 L5 K6 V15 Y20 L23 L24A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.46Å; L5-F8 PolarHBondContact O-N 3.42Å; K6-F8 PolarHBondContact O-N 3.46Å; F8-V15 HydrophobicContact CD2-CG2 4.24Å; F8-V15 HydrophobicContact CE2-CG2 3.92Å; F8-Y20 HydrophobicContact CE1-CE2 4.49Å; F8-Y20 AromaticContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CE2 4.34Å; F8-Y20 AromaticContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CE2 4.09Å; F8-L23 HydrophobicContact CE2-CD1 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.31Å; F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.44Å
9A97Very high97.2Very high79 Ų7990.4 Ų90.465%0.65352%0.517SS*.Hα-helixtrans-84.7-30.4-179.600000114.3L5 K6 T7L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 2.93Å; K6-A9 PolarHBondContact O-N 3.33Å; K6-A9 VanDerWaalsContact O-N 3.11Å; T7-A9 PolarHBondContact O-N 3.29Å
10V97.2Very high97.3Very high105 Ų10590.3 Ų90.364%0.63651%0.508SS*.Hα-helixtrans-112.2-20.3-171.2-51.30000114.3K6 T7K6-V10 HydrophobicContact CG-CG1 4.28Å; K6-V10 HydrophobicContact CG-CG2 4.38Å; K6-V10 WeakPolarHBondContact O-CG1 3.09Å; K6-V10 VanDerWaalsContact O-CG2 3.24Å; K6-V10 WeakPolarHBondContact O-CG2 3.48Å; K6-V10 PolarHBondContact O-N 3.41Å; T7-V10 PolarHBondContact O-N 3.02Å
11D97.8Very high97.3Very high62 Ų6289.4 Ų89.433%0.33250%0.5SS..  trans-110.799.1-179.9178.37000109.9T7 T13 S14T7-D11 HydrophobicContact CG2-CB 4.23Å; T7-D11 WeakPolarHBondContact O-CB 3.47Å; T7-D11 PolarHBondContact O-N 3.24Å; D11-T13 PolarHBondContact O-N 3.31Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.43Å; D11-T13 WeakPolarHBondContact OD1-CB 3.33Å; D11-T13 PolarHBondContact OD1-N 3.14Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å; D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.1Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.31Å
12E94.6Very high97.6Very high188 Ų18883 Ų8388%0.87947%0.467SS*.THydrogen-bonded Turntrans-64.6-13.6178.8-61.6-176.4-179.300113.2
13T97.1Very high97.7Very high123 Ų12380.6 Ų80.676%0.75546%0.458SS*.THydrogen-bonded Turntrans-94.4-4.6177.571.30000113.6D11 V15D11-T13 PolarHBondContact O-N 3.31Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.43Å; D11-T13 WeakPolarHBondContact OD1-CB 3.33Å; D11-T13 PolarHBondContact OD1-N 3.14Å; D11-T13 PolarHBondContact OD1-OG1 3.2Å; T13-V15 PolarHBondContact O-N 3.35Å
14S97.8Very high97.7Very high45 Ų4579.9 Ų79.932%0.31545%0.446SS..SBendtrans-65.8-24.1-177.9640000114.1D11D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.1Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.31Å
15V97.8Very high97.7Very high46 Ų4679.7 Ų79.728%0.27945%0.452SS..SBendtrans-144.8164.4172-64.20000110.2F8 T13 I19F8-V15 HydrophobicContact CD2-CG2 4.24Å; F8-V15 HydrophobicContact CE2-CG2 3.92Å; T13-V15 PolarHBondContact O-N 3.35Å; V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.28Å; V15-I19 HydrophobicContact CG2-CG2 4.43Å
16S97.1Very high97.7Very high60 Ų6079.5 Ų79.542%0.4245%0.448SS..  trans-67.9151.1171.370.70000111.6Y18 I19 Y20S16-Y18 PolarHBondContact O-N 2.94Å; S16-I19 PolarHBondContact O-N 3Å; S16-I19 WeakPolarHBondContact OG-CG1 3.29Å; S16-I19 PolarHBondContact OG-N 3.42Å; S16-Y20 PolarHBondContact O-N 3Å
17G97.4Very high97.7Very high46 Ų4682 Ų8247%0.47446%0.462SS..Hα-helixtrans-56.5-34.6178.300000113.6Y20 H21G17-Y20 PolarHBondContact O-N 2.82Å; G17-H21 PolarHBondContact O-CD2 3.17Å; G17-H21 PolarHBondContact O-N 3.34Å
18Y98.1Very high97.7Very high43 Ų4381.1 Ų81.117%0.16946%0.456CS..Hα-helixtrans-61.3-47.5173.7-179.2-84.7000112.1S16 K22 V28 E29 V31 P64 L65S16-Y18 PolarHBondContact O-N 2.94Å; Y18-K22 HydrophobicContact CD1-CG 4.12Å; Y18-K22 HydrophobicContact CE1-CG 3.57Å; Y18-K22 HydrophobicContact CE2-CG 4.39Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3.34Å; Y18-K22 WeakPolarHBondContact OH-CE 3.24Å; Y18-V28 HydrophobicContact CD2-CG2 4.14Å; Y18-V28 HydrophobicContact CE2-CG2 3.91Å; Y18-E29 WeakPolarHBondContact CE2-O 3.31Å; Y18-V31 HydrophobicContact CD2-CB 4.06Å; Y18-V31 HydrophobicContact CD2-CG2 3.51Å; Y18-V31 HydrophobicContact CE2-CB 3.97Å; Y18-V31 HydrophobicContact CE2-CG2 3.69Å; Y18-V31 HydrophobicContact CG-CG2 4.44Å; Y18-P64 HydrophobicContact CD1-CB 3.86Å; Y18-P64 HydrophobicContact CD1-CG 3.38Å; Y18-P64 HydrophobicContact CD2-CG 4.49Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.37Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; Y18-L65 HydrophobicContact CE1-CB 4.34Å
19I98.2Very high97.6Very high44 Ų4486.9 Ų86.923%0.22648%0.484CS..Hα-helixtrans-66-42.8179.3-69.7175000110V15 S16 H21 K22 L23V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.28Å; V15-I19 HydrophobicContact CG2-CG2 4.43Å; S16-I19 PolarHBondContact O-N 3Å; S16-I19 WeakPolarHBondContact OG-CG1 3.29Å; S16-I19 PolarHBondContact OG-N 3.42Å; I19-H21 PolarHBondContact O-N 3.22Å; I19-K22 PolarHBondContact O-N 3.28Å; I19-L23 HydrophobicContact CG2-CD1 3.67Å; I19-L23 HydrophobicContact CG2-CG 4.08Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.12Å
20Y98.4Very high97.5Very high88 Ų8888.9 Ų88.935%0.34548%0.483SS..Hα-helixtrans-53.3-54.5176.2179.6-95.4000111.7F8 S16 G17 L23 L24F8-Y20 HydrophobicContact CE1-CE2 4.49Å; F8-Y20 AromaticContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CD2 3.71Å; F8-Y20 HydrophobicContact CE2-CE2 4.34Å; F8-Y20 AromaticContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CD2 3.75Å; F8-Y20 HydrophobicContact CZ-CE2 4.09Å; S16-Y20 PolarHBondContact O-N 3Å; G17-Y20 PolarHBondContact O-N 2.82Å; Y20-L23 PolarHBondContact O-N 2.91Å; Y20-L24 HydrophobicContact CD1-CD1 4.06Å; Y20-L24 HydrophobicContact CE1-CD1 3.43Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.43Å; Y20-L24 HydrophobicContact CE2-CD1 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.47Å; Y20-L24 PolarHBondContact O-N 2.89Å; Y20-L24 VanDerWaalsContact O-N 3.14Å
21H98.3Very high97.5Very high72 Ų7287.2 Ų87.233%0.33347%0.474SS..Hα-helixtrans-66.8-41-178.7-72.5-51.5000113.5G17 I19 L23 L24 G25 H26 V28G17-H21 PolarHBondContact O-CD2 3.17Å; G17-H21 PolarHBondContact O-N 3.34Å; I19-H21 PolarHBondContact O-N 3.22Å; H21-L23 VanDerWaalsContact C-N 3.34Å; H21-L23 PolarHBondContact O-N 3.15Å; H21-L24 PolarHBondContact O-N 3.11Å; H21-G25 PolarHBondContact O-N 3.33Å; H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.86Å; H21-H26 AromaticContact ND1-CE1 3.87Å; H21-H26 AromaticContact ND1-CG 3.94Å; H21-H26 AromaticContact ND1-ND1 3.08Å; H21-H26 PolarHBondContact ND1-ND1 2.64Å; H21-H26 PolarHBondContact O-N 2.94Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å
22K98.1Very high97.4Very high67 Ų6790.4 Ų90.429%0.29149%0.489SS..Hα-helixtrans-63.2-38.5175.4-78.9-61.1-164.6-161.30112Y18 I19 L24 G25 V28 D30 L65Y18-K22 HydrophobicContact CD1-CG 4.12Å; Y18-K22 HydrophobicContact CE1-CG 3.57Å; Y18-K22 HydrophobicContact CE2-CG 4.39Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3.34Å; Y18-K22 WeakPolarHBondContact OH-CE 3.24Å; I19-K22 PolarHBondContact O-N 3.28Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-G25 PolarHBondContact O-N 2.71Å; K22-V28 HydrophobicContact CD-CG2 3.47Å; K22-V28 VanDerWaalsContact CD-CG2 3.47Å; K22-V28 HydrophobicContact CG-CG2 3.66Å; K22-V28 PolarHBondContact NZ-O 2.95Å; K22-D30 IonicContact NZ-OD1 3.41Å; K22-D30 PolarHBondContact NZ-OD1 3.48Å; K22-L65 HydrophobicContact CB-CD2 4.03Å
23L98.1Very high97.4Very high105 Ų10584.8 Ų84.855%0.5546%0.464SS..Hα-helixtrans-68.5-31.7178-72177.3000112.8F8 I19 Y20 H21 G25F8-L23 HydrophobicContact CE2-CD1 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.31Å; I19-L23 HydrophobicContact CG2-CD1 3.67Å; I19-L23 HydrophobicContact CG2-CG 4.08Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.12Å; Y20-L23 PolarHBondContact O-N 2.91Å; H21-L23 VanDerWaalsContact C-N 3.34Å; H21-L23 PolarHBondContact O-N 3.15Å; L23-G25 VanDerWaalsContact C-N 3.28Å
24L98.2Very high97.3Very high78 Ų7888.7 Ų88.741%0.40847%0.471SS..THydrogen-bonded Turntrans-83.1-0.1175.5-65.3-176.5000114.1F8 Y20 H21 K22 H26F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.44Å; Y20-L24 HydrophobicContact CD1-CD1 4.06Å; Y20-L24 HydrophobicContact CE1-CD1 3.43Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.43Å; Y20-L24 HydrophobicContact CE2-CD1 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.47Å; Y20-L24 PolarHBondContact O-N 2.89Å; Y20-L24 VanDerWaalsContact O-N 3.14Å; H21-L24 PolarHBondContact O-N 3.11Å; K22-L24 VanDerWaalsContact C-N 3.34Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 3.33Å
25G98.3Very high97Very high65 Ų6588 Ų8867%0.6747%0.466SS*.THydrogen-bonded Turntrans73.917.7-179.900000114.2H21 K22 L23H21-G25 PolarHBondContact O-N 3.33Å; K22-G25 PolarHBondContact O-N 2.71Å; L23-G25 VanDerWaalsContact C-N 3.28Å
26H98.4Very high96.8Very high94 Ų9494.6 Ų94.644%0.43549%0.494SS..  trans-72.2147.5173.5-61.9-172.9000110.1H21 L24 V28H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.86Å; H21-H26 AromaticContact ND1-CE1 3.87Å; H21-H26 AromaticContact ND1-CG 3.94Å; H21-H26 AromaticContact ND1-ND1 3.08Å; H21-H26 PolarHBondContact ND1-ND1 2.64Å; H21-H26 PolarHBondContact O-N 2.94Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 3.33Å; H26-V28 PolarHBondContact O-N 2.76Å
27E97.8Very high96.6Very high199 Ų19994.7 Ų94.793%0.9349%0.489SS*.  trans-71.8120.5171.3-66.2-170.1168.900110
28V97.6Very high96.4Very high39 Ų3994 Ų9424%0.23648%0.477CS..  trans-138.1141.4173.1-61.40000109.5Y18 H21 K22 H26Y18-V28 HydrophobicContact CD2-CG2 4.14Å; Y18-V28 HydrophobicContact CE2-CG2 3.91Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å; K22-V28 HydrophobicContact CD-CG2 3.47Å; K22-V28 VanDerWaalsContact CD-CG2 3.47Å; K22-V28 HydrophobicContact CG-CG2 3.66Å; K22-V28 PolarHBondContact NZ-O 2.95Å; H26-V28 PolarHBondContact O-N 2.76Å
29E97.3Very high96.1Very high177 Ų177102.7 Ų102.783%0.82752%0.515SS*.PPolyproline II helixtrans-60.6143.1175.6-64.7-173.717600111.3Y18 V31Y18-E29 WeakPolarHBondContact CE2-O 3.31Å; E29-V31 PolarHBondContact O-N 3.49Å
30D94.9Very high95.8Very high120 Ų120108.1 Ų108.164%0.64253%0.533SS*.PPolyproline II helixtrans-68.7129.8-179.4-78.2-13000111.4K22K22-D30 IonicContact NZ-OD1 3.41Å; K22-D30 PolarHBondContact NZ-OD1 3.48Å
31V95.9Very high95.5Very high71 Ų71105.5 Ų105.543%0.4352%0.523SS..PPolyproline II helixtrans-101.1135.1179.2175.50000110.6Y18 E29 P64Y18-V31 HydrophobicContact CD2-CB 4.06Å; Y18-V31 HydrophobicContact CD2-CG2 3.51Å; Y18-V31 HydrophobicContact CE2-CB 3.97Å; Y18-V31 HydrophobicContact CE2-CG2 3.69Å; Y18-V31 HydrophobicContact CG-CG2 4.44Å; E29-V31 PolarHBondContact O-N 3.49Å; V31-P64 HydrophobicContact CB-CG 4.27Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.24Å
32I96.1Very high95.1Very high128 Ų128103.2 Ų103.266%0.65651%0.514SS*.PPolyproline II helixtrans-103.3119.2172.2-58.3177.5000109.3K34 Q62I32-K34 PolarHBondContact O-N 3.1Å; I32-Q62 CarbonylContact C-O 3.59Å; I32-Q62 WeakPolarHBondContact CA-O 3.38Å; I32-Q62 HydrophobicContact CG2-CB 4.41Å
33I95.2Very high94.8Very high70 Ų70100.2 Ų100.236%0.35950%0.502SS..PPolyproline II helixtrans-73.6121.7170.7-61177.9000108.4C35 Q62 P64I33-C35 PolarHBondContact O-N 3.35Å; I33-Q62 PolarHBondContact N-O 3.37Å; I33-P64 HydrophobicContact CD1-CB 4.13Å
34K93.8Very high94.4Very high205 Ų205103.7 Ų103.789%0.89152%0.515SS*.  trans-76113.8170.9-66.3-177.1-178.7177.30108.7I32I32-K34 PolarHBondContact O-N 3.1Å
35C92.3Very high93.9Very high32 Ų32103.8 Ų103.822%0.21654%0.536CS..  trans-140.3156.3174.267.20000109.9I33 L37 L61I33-C35 PolarHBondContact O-N 3.35Å; C35-L37 PolarHBondContact O-N 2.97Å; C35-L61 PolarHBondContact SG-O 3.24Å
36Q92.9Very high93.5Very high183 Ų183103.5 Ų103.586%0.85552%0.518SS*.  trans-77.7111.3168.4-68.9-171.9-8.400108.5
37L94.2Very high93.1Very high62 Ų62103 Ų10333%0.32552%0.524SS..  trans-69141.3175.3-68.2178000110.4C35 F41 K58 L61 Q62C35-L37 PolarHBondContact O-N 2.97Å; L37-F41 HydrophobicContact CB-CZ 4.46Å; L37-F41 HydrophobicContact CD2-CE1 4.47Å; L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; L37-L61 HydrophobicContact CD2-CB 4.08Å; L37-L61 HydrophobicContact CD2-CD1 4.22Å; L37-Q62 HydrophobicContact CD2-CG 4.01Å
38P93Very high92.8Very high33 Ų3399 Ų9921%0.21451%0.509CS..  trans-67.7146.4178.231.3-37.1000110.5R40 F41 L61P38-R40 WeakPolarHBondContact CB-O 3.43Å; P38-R40 PolarHBondContact O-N 3.38Å; P38-F41 HydrophobicContact CG-CD1 3.73Å; P38-F41 HydrophobicContact CG-CE1 3.77Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.44Å; P38-L61 HydrophobicContact CG-CD1 4.42Å
39K91.2Very high92.7Very high225 Ų22598.2 Ų98.298%0.97850%0.502SS*.SBendtrans-64.1-31.3174.9-66-176.8179.5179.70112.5
40R91.6Very high92.6Very high157 Ų15793.6 Ų93.659%0.59248%0.483SS*.  trans-127.6127.3174.4-173176.3-177179.30.1109.1P38 D48P38-R40 WeakPolarHBondContact CB-O 3.43Å; P38-R40 PolarHBondContact O-N 3.38Å; R40-D48 IonicContact CZ-OD1 3.86Å; R40-D48 IonicContact NH2-OD1 2.78Å; R40-D48 PolarHBondContact NH2-OD1 2.97Å; R40-D48 IonicContact NH2-OD2 3.89Å
41F92.8Very high92.6Very high34 Ų3495.6 Ų95.615%0.14949%0.488CS..  trans-80.4-27.6-179.8-72.5-79.4000113L37 P38 A43 I54 V57 K58 L61 T82 H86L37-F41 HydrophobicContact CB-CZ 4.46Å; L37-F41 HydrophobicContact CD2-CE1 4.47Å; P38-F41 HydrophobicContact CG-CD1 3.73Å; P38-F41 HydrophobicContact CG-CE1 3.77Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.44Å; F41-A43 PolarHBondContact O-N 3.36Å; F41-I54 HydrophobicContact CB-CG1 4.49Å; F41-I54 HydrophobicContact CB-CG2 4.42Å; F41-I54 HydrophobicContact CD2-CG2 3.73Å; F41-I54 HydrophobicContact CE2-CG2 4.26Å; F41-I54 HydrophobicContact CG-CG2 4.17Å; F41-V57 HydrophobicContact CD1-CB 4.07Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.3Å; F41-K58 HydrophobicContact CE1-CB 3.86Å; F41-K58 HydrophobicContact CE1-CG 4.45Å; F41-K58 HydrophobicContact CZ-CB 3.78Å; F41-K58 HydrophobicContact CZ-CD 4.39Å; F41-K58 HydrophobicContact CZ-CG 4.02Å; F41-L61 HydrophobicContact CE1-CD1 4.34Å; F41-T82 WeakPolarHBondContact O-CG2 3.32Å; F41-H86 PolarHBondContact O-NE2 3.09Å
42T90.4Very high92.7Very high23 Ų2396.1 Ų96.114%0.14150%0.495CS..SBendtrans-62.9127.4173.4-44.50000110.8P47 D48T42-P47 WeakPolarHBondContact CG2-O 3.41Å; T42-D48 PolarHBondContact OG1-OD1 3.21Å
43A90.5Very high92.8Very high5 Ų591.1 Ų91.14%0.04147%0.469CS..PPolyproline II helixtrans-79151.6172.100000111.6F41 G45 L46 T82 Y85F41-A43 PolarHBondContact O-N 3.36Å; A43-G45 PolarHBondContact O-N 3.49Å; A43-L46 HydrophobicContact CB-CD1 3.99Å; A43-L46 HydrophobicContact CB-CG 4.37Å; A43-L46 PolarHBondContact O-N 2.96Å; A43-T82 HydrophobicContact CB-CG2 4.39Å; A43-Y85 HydrophobicContact CB-CD1 3.57Å; A43-Y85 HydrophobicContact CB-CD2 4.1Å; A43-Y85 HydrophobicContact CB-CE1 4.02Å; A43-Y85 HydrophobicContact CB-CE2 4.49Å; A43-Y85 HydrophobicContact CB-CG 3.62Å
44Q89.2Confident92.8Very high177 Ų17790.6 Ų90.683%0.82747%0.466SS*.THydrogen-bonded Turntrans-60.6131.7178.4-172.4177.617.700110.9L46Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.43Å
45G88.5Confident93Very high81 Ų8187.9 Ų87.984%0.83545%0.451SS*.THydrogen-bonded Turntrans81.62.3-179.900000115A43A43-G45 PolarHBondContact O-N 3.49Å
46L89.9Confident93.3Very high58 Ų5887.2 Ų87.230%0.30445%0.448SS..SBendtrans-106154.2173.1-63.8-173.7000111.9A43 Q44 V78 A81 T82A43-L46 HydrophobicContact CB-CD1 3.99Å; A43-L46 HydrophobicContact CB-CG 4.37Å; A43-L46 PolarHBondContact O-N 2.96Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.43Å; L46-V78 HydrophobicContact CB-CG1 4.17Å; L46-V78 HydrophobicContact CD1-CG1 4.09Å; L46-V78 HydrophobicContact CD2-CG1 4.43Å; L46-V78 HydrophobicContact CG-CG1 4.47Å; L46-A81 HydrophobicContact CD1-CB 3.99Å; L46-T82 VanDerWaalsContact CD1-OG1 3.3Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.35Å
47P90.6Very high93.5Very high84 Ų8478.5 Ų78.555%0.54541%0.408SS..PPolyproline II helixtrans-56.5154.4174.6-23.333000112.4T42 F49T42-P47 WeakPolarHBondContact CG2-O 3.41Å; P47-F49 VanDerWaalsContact O-CD1 3.27Å; P47-F49 WeakPolarHBondContact O-CD1 3.39Å
48D91.5Very high93.7Very high116 Ų11680.1 Ų80.162%0.6241%0.412SS*.PPolyproline II helixtrans-65.1145.5172.6-80.6-42000112R40 T42R40-D48 IonicContact CZ-OD1 3.86Å; R40-D48 IonicContact NH2-OD1 2.78Å; R40-D48 PolarHBondContact NH2-OD1 2.97Å; R40-D48 IonicContact NH2-OD2 3.89Å; T42-D48 PolarHBondContact OG1-OD1 3.21Å
49F94.1Very high93.9Very high21 Ų2179.6 Ų79.69%0.09241%0.408CS..PPolyproline II helixtrans-93.4141.7-173.1-80.923.3000110.8P47 Q53 I54 V57 V78 T79 T82P47-F49 VanDerWaalsContact O-CD1 3.27Å; P47-F49 WeakPolarHBondContact O-CD1 3.39Å; F49-Q53 HydrophobicContact CB-CB 3.94Å; F49-Q53 HydrophobicContact CD2-CB 3.51Å; F49-Q53 HydrophobicContact CE2-CB 4.1Å; F49-Q53 HydrophobicContact CG-CB 3.84Å; F49-I54 HydrophobicContact CB-CD1 4.36Å; F49-I54 HydrophobicContact CB-CG1 3.68Å; F49-V57 HydrophobicContact CD2-CG2 4.09Å; F49-V57 HydrophobicContact CE2-CG2 3.66Å; F49-V78 HydrophobicContact CE1-CG1 3.58Å; F49-V78 HydrophobicContact CZ-CG1 3.96Å; F49-T79 HydrophobicContact CE2-CG2 4.42Å; F49-T82 HydrophobicContact CE2-CG2 3.79Å; F49-T82 HydrophobicContact CZ-CG2 3.94Å; F49-T82 WeakPolarHBondContact CZ-OG1 3.49Å
50N95.1Very high94.2Very high80 Ų8070.2 Ų70.243%0.42837%0.37SS..  trans-77.3174.816669.339.3000111S52 Q53 I54N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.37Å; N50-S52 PolarHBondContact OD1-N 2.91Å; N50-S52 VanDerWaalsContact OD1-N 3.1Å; N50-S52 PolarHBondContact OD1-OG 3.46Å; N50-Q53 PolarHBondContact O-N 3.19Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.42Å; N50-I54 WeakPolarHBondContact O-CG1 3.49Å; N50-I54 PolarHBondContact O-N 3.24Å
51H96.3Very high94.5Very high162 Ų16262.9 Ų62.975%0.7534%0.343SS*.Hα-helixtrans-60.9-38.7-174.9-158.576.8000113.5I54 Y55H51-I54 PolarHBondContact O-N 3.28Å; H51-Y55 WeakPolarHBondContact O-CB 3.38Å; H51-Y55 PolarHBondContact O-N 3.38Å
52S97.4Very high94.7Very high82 Ų8264 Ų6457%0.57335%0.348SS*.Hα-helixtrans-71.8-34.5-178.964.10000112.2N50 Y55 A56N50-S52 VanDerWaalsContact C-N 3.34Å; N50-S52 PolarHBondContact O-N 3.37Å; N50-S52 PolarHBondContact OD1-N 2.91Å; N50-S52 VanDerWaalsContact OD1-N 3.1Å; N50-S52 PolarHBondContact OD1-OG 3.46Å; S52-Y55 PolarHBondContact O-N 2.96Å; S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.02Å
53Q97.5Very high95Very high24 Ų2469 Ų6911%0.11236%0.364CS..Hα-helixtrans-68.9-43.7174.4-65.7168-29.500111.3F49 N50 Y55 A56 V57 T74F49-Q53 HydrophobicContact CB-CB 3.94Å; F49-Q53 HydrophobicContact CD2-CB 3.51Å; F49-Q53 HydrophobicContact CE2-CB 4.1Å; F49-Q53 HydrophobicContact CG-CB 3.84Å; N50-Q53 PolarHBondContact O-N 3.19Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.42Å; Q53-Y55 VanDerWaalsContact C-N 3.32Å; Q53-Y55 PolarHBondContact O-N 3.45Å; Q53-A56 PolarHBondContact O-N 3.1Å; Q53-V57 WeakPolarHBondContact O-CG2 3.42Å; Q53-V57 PolarHBondContact O-N 2.91Å; Q53-T74 PolarHBondContact NE2-O 2.98Å
54I97.1Very high95.3Very high58 Ų5870.3 Ų70.330%0.29737%0.373SS..Hα-helixtrans-58.5-46.4173.9-67.4171.1000110.4F41 F49 N50 H51 A56 V57 K58F41-I54 HydrophobicContact CB-CG1 4.49Å; F41-I54 HydrophobicContact CB-CG2 4.42Å; F41-I54 HydrophobicContact CD2-CG2 3.73Å; F41-I54 HydrophobicContact CE2-CG2 4.26Å; F41-I54 HydrophobicContact CG-CG2 4.17Å; F49-I54 HydrophobicContact CB-CD1 4.36Å; F49-I54 HydrophobicContact CB-CG1 3.68Å; N50-I54 WeakPolarHBondContact O-CG1 3.49Å; N50-I54 PolarHBondContact O-N 3.24Å; H51-I54 PolarHBondContact O-N 3.28Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3.33Å; I54-V57 PolarHBondContact O-N 3.12Å; I54-K58 WeakPolarHBondContact O-CB 3.5Å; I54-K58 PolarHBondContact O-N 3.22Å
55Y97.7Very high95.7Very high148 Ų14865.6 Ų65.658%0.5835%0.353SS*.Hα-helixtrans-59.9-42.9177.2179.2-99.7000112.1H51 S52 Q53 K58 T59H51-Y55 WeakPolarHBondContact O-CB 3.38Å; H51-Y55 PolarHBondContact O-N 3.38Å; S52-Y55 PolarHBondContact O-N 2.96Å; Q53-Y55 VanDerWaalsContact C-N 3.32Å; Q53-Y55 PolarHBondContact O-N 3.45Å; Y55-K58 PolarHBondContact O-N 3.49Å; Y55-T59 VanDerWaalsContact O-CB 3.31Å; Y55-T59 WeakPolarHBondContact O-CB 3.49Å; Y55-T59 PolarHBondContact O-N 3.47Å; Y55-T59 PolarHBondContact O-OG1 3.35Å
56A98.1Very high96.2Very high19 Ų1963.6 Ų63.616%0.15733%0.326CS..Hα-helixtrans-61-49.2176.700000111.6S52 Q53 I54 K58 T59 V60 T79S52-A56 WeakPolarHBondContact O-CB 3.43Å; S52-A56 PolarHBondContact O-N 3.02Å; Q53-A56 PolarHBondContact O-N 3.1Å; I54-A56 VanDerWaalsContact C-N 3.33Å; I54-A56 PolarHBondContact O-N 3.33Å; A56-K58 PolarHBondContact O-N 2.93Å; A56-T59 PolarHBondContact O-N 3.45Å; A56-V60 WeakPolarHBondContact O-CB 3.38Å; A56-V60 WeakPolarHBondContact O-CG2 3.08Å; A56-V60 PolarHBondContact O-N 3.13Å; A56-T79 HydrophobicContact CB-CG2 4.09Å
57V97.1Very high96.6Very high0 Ų069.1 Ų69.10%036%0.355CS..Hα-helixtrans-60.1-49.6178.5-179.50000110.7F41 F49 Q53 I54 T59 V60 L61 T79 T82 I83F41-V57 HydrophobicContact CD1-CB 4.07Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.3Å; F49-V57 HydrophobicContact CD2-CG2 4.09Å; F49-V57 HydrophobicContact CE2-CG2 3.66Å; Q53-V57 WeakPolarHBondContact O-CG2 3.42Å; Q53-V57 PolarHBondContact O-N 2.91Å; I54-V57 PolarHBondContact O-N 3.12Å; V57-T59 VanDerWaalsContact C-N 3.33Å; V57-T59 PolarHBondContact O-N 2.98Å; V57-V60 PolarHBondContact O-N 3.43Å; V57-L61 HydrophobicContact CG1-CD1 4.03Å; V57-L61 HydrophobicContact CG1-CG 4.39Å; V57-L61 WeakPolarHBondContact O-CG 2.92Å; V57-L61 PolarHBondContact O-N 3.35Å; V57-L61 VanDerWaalsContact O-N 3.1Å; V57-T79 HydrophobicContact CG2-CG2 4.09Å; V57-T82 HydrophobicContact CG1-CG2 4.25Å; V57-T82 HydrophobicContact CG2-CG2 3.93Å; V57-I83 HydrophobicContact CB-CG1 4.4Å; V57-I83 HydrophobicContact CG1-CG1 4.28Å; V57-I83 HydrophobicContact CG2-CG1 4.11Å
58K97.3Very high96.9Very high95 Ų9568.5 Ų68.541%0.41335%0.346SS..Hα-helixtrans-56.8-47.1179.3179.9179.8176.6-175.20111.8L37 F41 I54 Y55 A56L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; F41-K58 HydrophobicContact CE1-CB 3.86Å; F41-K58 HydrophobicContact CE1-CG 4.45Å; F41-K58 HydrophobicContact CZ-CB 3.78Å; F41-K58 HydrophobicContact CZ-CD 4.39Å; F41-K58 HydrophobicContact CZ-CG 4.02Å; I54-K58 WeakPolarHBondContact O-CB 3.5Å; I54-K58 PolarHBondContact O-N 3.22Å; Y55-K58 PolarHBondContact O-N 3.49Å; A56-K58 PolarHBondContact O-N 2.93Å
59T97.9Very high97.2Very high23 Ų2372.2 Ų72.214%0.14136%0.36CS..Hα-helixtrans-65.4-43.5-177.6-57.50000111.5Y55 A56 V57 L61 Q62 R63Y55-T59 VanDerWaalsContact O-CB 3.31Å; Y55-T59 WeakPolarHBondContact O-CB 3.49Å; Y55-T59 PolarHBondContact O-N 3.47Å; Y55-T59 PolarHBondContact O-OG1 3.35Å; A56-T59 PolarHBondContact O-N 3.45Å; V57-T59 VanDerWaalsContact C-N 3.33Å; V57-T59 PolarHBondContact O-N 2.98Å; T59-L61 PolarHBondContact O-N 3.09Å; T59-Q62 PolarHBondContact O-N 3.47Å; T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.32Å; T59-R63 PolarHBondContact O-N 3.33Å
60V98Very high97.3Very high28 Ų2872 Ų7217%0.1736%0.364CS..Hα-helixtrans-64.7-40.2-178.61720000111.6A56 V57 Q62 R63 I68 I83A56-V60 WeakPolarHBondContact O-CB 3.38Å; A56-V60 WeakPolarHBondContact O-CG2 3.08Å; A56-V60 PolarHBondContact O-N 3.13Å; V57-V60 PolarHBondContact O-N 3.43Å; V60-Q62 PolarHBondContact O-N 2.8Å; V60-Q62 VanDerWaalsContact O-N 3.1Å; V60-R63 PolarHBondContact O-N 2.94Å; V60-I68 HydrophobicContact CG2-CD1 3.71Å; V60-I68 HydrophobicContact CG2-CG1 4.03Å; V60-I83 HydrophobicContact CB-CD1 4.13Å; V60-I83 HydrophobicContact CB-CG1 4.37Å; V60-I83 HydrophobicContact CG1-CD1 4.04Å; V60-I83 HydrophobicContact CG1-CG1 4.23Å; V60-I83 HydrophobicContact CG1-CG2 3.68Å; V60-I83 HydrophobicContact CG2-CD1 3.98Å
61L96.8Very high97.3Very high3 Ų372.4 Ų72.42%0.01637%0.371CS..THydrogen-bonded Turntrans-64.3-16.1179-68.9177.5000113.7C35 L37 P38 F41 V57 T59 H86 L87C35-L61 PolarHBondContact SG-O 3.24Å; L37-L61 HydrophobicContact CD2-CB 4.08Å; L37-L61 HydrophobicContact CD2-CD1 4.22Å; P38-L61 HydrophobicContact CG-CD1 4.42Å; F41-L61 HydrophobicContact CE1-CD1 4.34Å; V57-L61 HydrophobicContact CG1-CD1 4.03Å; V57-L61 HydrophobicContact CG1-CG 4.39Å; V57-L61 WeakPolarHBondContact O-CG 2.92Å; V57-L61 PolarHBondContact O-N 3.35Å; V57-L61 VanDerWaalsContact O-N 3.1Å; T59-L61 PolarHBondContact O-N 3.09Å; L61-H86 HydrophobicContact CD1-CB 4Å; L61-H86 HydrophobicContact CD2-CB 4Å; L61-L87 HydrophobicContact CD2-CD2 3.78Å; L61-L87 HydrophobicContact CD2-CG 3.96Å
62Q97.2Very high97.3Very high56 Ų5670.7 Ų70.726%0.26237%0.374SS..THydrogen-bonded Turntrans-111.72.1-176.6-60.1-170.8-84.200113.4I32 I33 L37 T59 V60I32-Q62 CarbonylContact C-O 3.59Å; I32-Q62 WeakPolarHBondContact CA-O 3.38Å; I32-Q62 HydrophobicContact CG2-CB 4.41Å; I33-Q62 PolarHBondContact N-O 3.37Å; L37-Q62 HydrophobicContact CD2-CG 4.01Å; T59-Q62 PolarHBondContact O-N 3.47Å; V60-Q62 PolarHBondContact O-N 2.8Å; V60-Q62 VanDerWaalsContact O-N 3.1Å
63R97.6Very high97.2Very high129 Ų12971 Ų7149%0.48739%0.389SS..  trans-125.2136.1-177.1-70.9-174.4177.7-176.6-4.1111.4T59 V60 L65T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.32Å; T59-R63 PolarHBondContact O-N 3.33Å; V60-R63 PolarHBondContact O-N 2.94Å; R63-L65 PolarHBondContact O-N 3.08Å
64P96.9Very high97.1Very high33 Ų3372.7 Ų72.721%0.21440%0.401CS..SBendtrans-68.4-21.3176.129-37000113.6Y18 V31 I33Y18-P64 HydrophobicContact CD1-CB 3.86Å; Y18-P64 HydrophobicContact CD1-CG 3.38Å; Y18-P64 HydrophobicContact CD2-CG 4.49Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.37Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; V31-P64 HydrophobicContact CB-CG 4.27Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.24Å; I33-P64 HydrophobicContact CD1-CB 4.13Å
65L98Very high97.1Very high78 Ų7871 Ų7141%0.40840%0.398SS..SBendtrans-140.6130.4174.3-177.162.1000109.2Y18 K22 R63Y18-L65 HydrophobicContact CE1-CB 4.34Å; K22-L65 HydrophobicContact CB-CD2 4.03Å; R63-L65 PolarHBondContact O-N 3.08Å
66S98.2Very high97Very high39 Ų3968 Ų6827%0.27339%0.388SS..  trans-141.4141.5177.5-69.70000110.4
67L98.2Very high96.9Very high173 Ų17372.8 Ų72.891%0.90642%0.416SS*.  trans-113.1125.9170.6-68.9173000108.5
68I97.8Very high96.9Very high71 Ų7174.8 Ų74.836%0.36443%0.428SS..  trans-111.3121.9176.8-54.9174.4000108V60 I83V60-I68 HydrophobicContact CG2-CD1 3.71Å; V60-I68 HydrophobicContact CG2-CG1 4.03Å; I68-I83 HydrophobicContact CD1-CD1 3.42Å; I68-I83 VanDerWaalsContact CD1-CD1 3.42Å
69Q97.3Very high96.9Very high195 Ų19570.5 Ų70.591%0.91141%0.41SS*.  trans-114.7140.3174.8-173.7-175.3-3.800109.7
70G95.4Very high96.9Very high17 Ų1772.1 Ų72.118%0.17542%0.422CS..  trans-158.1137.5173.900000111.7T74 K76G70-T74 VanDerWaalsContact C-OG1 3.28Å; G70-T74 WeakPolarHBondContact CA-OG1 3.36Å; G70-K76 WeakPolarHBondContact O-CD 3.35Å; G70-K76 WeakPolarHBondContact O-CE 3.35Å; G70-K76 PolarHBondContact O-NZ 3.08Å
71P95.9Very high96.8Very high88 Ų8872.9 Ų72.957%0.57143%0.431SS*.  trans-53.9168.3170.9-26.931.5000114.1T74 K76P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.12Å; P71-T74 WeakPolarHBondContact O-CG2 3.4Å; P71-T74 PolarHBondContact O-N 3.22Å; P71-T74 PolarHBondContact O-OG1 3.49Å; P71-K76 PolarHBondContact O-NZ 3.39Å; P71-K76 VanDerWaalsContact O-NZ 3.09Å
72P97Very high96.8Very high126 Ų12672.7 Ų72.782%0.81843%0.43SS*.THydrogen-bonded Turntrans-51.9141.2169-24.935.4000111.5T74P72-T74 VanDerWaalsContact C-N 3.28Å; P72-T74 PolarHBondContact O-N 3.39Å
73G94.6Very high96.8Very high87 Ų8770.7 Ų70.790%0.89742%0.421SS*.THydrogen-bonded Turntrans76.9-3.4179.500000116.7G75G73-G75 PolarHBondContact O-N 3.42Å; G73-G75 VanDerWaalsContact O-N 3.16Å
74T95.6Very high96.7Very high60 Ų6069 Ų6937%0.36843%0.425SS..SBendtrans-8213.2-176.458.70000115.6Q53 G70 P71 P72 K76Q53-T74 PolarHBondContact NE2-O 2.98Å; G70-T74 VanDerWaalsContact C-OG1 3.28Å; G70-T74 WeakPolarHBondContact CA-OG1 3.36Å; P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.12Å; P71-T74 WeakPolarHBondContact O-CG2 3.4Å; P71-T74 PolarHBondContact O-N 3.22Å; P71-T74 PolarHBondContact O-OG1 3.49Å; P72-T74 VanDerWaalsContact C-N 3.28Å; P72-T74 PolarHBondContact O-N 3.39Å; T74-K76 PolarHBondContact O-N 3.48Å
75G95.9Very high96.7Very high22 Ų2271.3 Ų71.323%0.22743%0.43CS..  trans74.519.8173.600000115.6G73 T77 V78 T79G73-G75 PolarHBondContact O-N 3.42Å; G73-G75 VanDerWaalsContact O-N 3.16Å; G75-T77 VanDerWaalsContact C-N 3.27Å; G75-T77 PolarHBondContact O-N 3.18Å; G75-V78 PolarHBondContact O-N 3.44Å; G75-T79 PolarHBondContact O-N 3.19Å; G75-T79 PolarHBondContact O-OG1 2.99Å; G75-T79 VanDerWaalsContact O-OG1 3.11Å
76K96.9Very high96.6Very high85 Ų8568.3 Ų68.337%0.3741%0.414SS..Hα-helixtrans-45.1-48.7177.3-68.9-172.5-65.6-68.30113.2G70 P71 T74 V78 T79 S80G70-K76 WeakPolarHBondContact O-CD 3.35Å; G70-K76 WeakPolarHBondContact O-CE 3.35Å; G70-K76 PolarHBondContact O-NZ 3.08Å; P71-K76 PolarHBondContact O-NZ 3.39Å; P71-K76 VanDerWaalsContact O-NZ 3.09Å; T74-K76 PolarHBondContact O-N 3.48Å; K76-V78 PolarHBondContact O-N 2.92Å; K76-T79 PolarHBondContact O-N 3.11Å; K76-S80 WeakPolarHBondContact O-CB 2.99Å; K76-S80 PolarHBondContact O-N 3.26Å; K76-S80 PolarHBondContact O-OG 3.15Å; K76-S80 VanDerWaalsContact O-OG 3.08Å
77T96.1Very high96.4Very high120 Ų12070.5 Ų70.574%0.73642%0.422SS*.Hα-helixtrans-62.3-41.9179.9-49.70000112.2G75 S80 A81G75-T77 VanDerWaalsContact C-N 3.27Å; G75-T77 PolarHBondContact O-N 3.18Å; T77-S80 PolarHBondContact O-N 3.33Å; T77-A81 WeakPolarHBondContact O-CB 3.27Å; T77-A81 PolarHBondContact O-N 3.01Å
78V96.4Very high96.2Very high43 Ų4366 Ų6626%0.26141%0.41SS..Hα-helixtrans-67.5-42.8178.4-173.70000110.2L46 F49 G75 K76 A81 T82L46-V78 HydrophobicContact CB-CG1 4.17Å; L46-V78 HydrophobicContact CD1-CG1 4.09Å; L46-V78 HydrophobicContact CD2-CG1 4.43Å; L46-V78 HydrophobicContact CG-CG1 4.47Å; F49-V78 HydrophobicContact CE1-CG1 3.58Å; F49-V78 HydrophobicContact CZ-CG1 3.96Å; G75-V78 PolarHBondContact O-N 3.44Å; K76-V78 PolarHBondContact O-N 2.92Å; V78-A81 PolarHBondContact O-N 2.87Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.28Å
79T97.5Very high95.9Very high5 Ų571 Ų713%0.03142%0.424CS..Hα-helixtrans-58.6-47.4173.8-52.70000111.4F49 A56 V57 G75 K76 T82 I83F49-T79 HydrophobicContact CE2-CG2 4.42Å; A56-T79 HydrophobicContact CB-CG2 4.09Å; V57-T79 HydrophobicContact CG2-CG2 4.09Å; G75-T79 PolarHBondContact O-N 3.19Å; G75-T79 PolarHBondContact O-OG1 2.99Å; G75-T79 VanDerWaalsContact O-OG1 3.11Å; K76-T79 PolarHBondContact O-N 3.11Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.32Å; T79-I83 HydrophobicContact CG2-CD1 4.21Å; T79-I83 WeakPolarHBondContact O-CG1 3.3Å; T79-I83 PolarHBondContact O-N 2.78Å
80S97.4Very high95.4Very high56 Ų5664.2 Ų64.239%0.39239%0.393SS..Hα-helixtrans-63.4-42.7177.2-630000112.5K76 T77 T82 I83 V84K76-S80 WeakPolarHBondContact O-CB 2.99Å; K76-S80 PolarHBondContact O-N 3.26Å; K76-S80 PolarHBondContact O-OG 3.15Å; K76-S80 VanDerWaalsContact O-OG 3.08Å; T77-S80 PolarHBondContact O-N 3.33Å; S80-T82 VanDerWaalsContact C-N 3.25Å; S80-T82 PolarHBondContact O-N 3.35Å; S80-I83 PolarHBondContact O-N 3.08Å; S80-V84 WeakPolarHBondContact O-CG2 3.43Å; S80-V84 PolarHBondContact O-N 3.41Å
81A96.8Very high94.1Very high44 Ų4466.4 Ų66.436%0.36442%0.415SS..Hα-helixtrans-60.2-3817600000111.7L46 T77 V78 V84 Y85L46-A81 HydrophobicContact CD1-CB 3.99Å; T77-A81 WeakPolarHBondContact O-CB 3.27Å; T77-A81 PolarHBondContact O-N 3.01Å; V78-A81 PolarHBondContact O-N 2.87Å; A81-V84 PolarHBondContact O-N 3.46Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 2.91Å
82T96.8Very high92.6Very high0 Ų069.1 Ų69.10%043%0.425CS..Hα-helixtrans-69.2-38.8175.6-65.60000112.8F41 A43 L46 F49 V57 V78 T79 S80 Y85 H86F41-T82 WeakPolarHBondContact O-CG2 3.32Å; A43-T82 HydrophobicContact CB-CG2 4.39Å; L46-T82 VanDerWaalsContact CD1-OG1 3.3Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.35Å; F49-T82 HydrophobicContact CE2-CG2 3.79Å; F49-T82 HydrophobicContact CZ-CG2 3.94Å; F49-T82 WeakPolarHBondContact CZ-OG1 3.49Å; V57-T82 HydrophobicContact CG1-CG2 4.25Å; V57-T82 HydrophobicContact CG2-CG2 3.93Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.28Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.32Å; S80-T82 VanDerWaalsContact C-N 3.25Å; S80-T82 PolarHBondContact O-N 3.35Å; T82-Y85 WeakPolarHBondContact O-CB 3.47Å; T82-Y85 PolarHBondContact O-N 2.89Å; T82-H86 PolarHBondContact O-CD2 3.32Å; T82-H86 PolarHBondContact O-N 3.19Å; T82-H86 VanDerWaalsContact O-N 3.08Å
83I96.9Very high90.2Very high13 Ų1370 Ų707%0.06746%0.457CS..Hα-helixtrans-59.6-50.5173.2-71.5158.4000110.1V57 V60 I68 T79 S80 Y85 H86 L87V57-I83 HydrophobicContact CB-CG1 4.4Å; V57-I83 HydrophobicContact CG1-CG1 4.28Å; V57-I83 HydrophobicContact CG2-CG1 4.11Å; V60-I83 HydrophobicContact CB-CD1 4.13Å; V60-I83 HydrophobicContact CB-CG1 4.37Å; V60-I83 HydrophobicContact CG1-CD1 4.04Å; V60-I83 HydrophobicContact CG1-CG1 4.23Å; V60-I83 HydrophobicContact CG1-CG2 3.68Å; V60-I83 HydrophobicContact CG2-CD1 3.98Å; I68-I83 HydrophobicContact CD1-CD1 3.42Å; I68-I83 VanDerWaalsContact CD1-CD1 3.42Å; T79-I83 HydrophobicContact CG2-CD1 4.21Å; T79-I83 WeakPolarHBondContact O-CG1 3.3Å; T79-I83 PolarHBondContact O-N 2.78Å; S80-I83 PolarHBondContact O-N 3.08Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 2.86Å; I83-H86 PolarHBondContact O-N 3.35Å; I83-L87 HydrophobicContact CG2-CD1 3.77Å; I83-L87 HydrophobicContact CG2-CG 4.32Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.75Å
84V96.1Very high90Very high95 Ų9569.2 Ų69.258%0.57644%0.435SS*.Hα-helixtrans-60.3-43.1178.6173.20000111.1S80 A81 H86 L87 A88S80-V84 WeakPolarHBondContact O-CG2 3.43Å; S80-V84 PolarHBondContact O-N 3.41Å; A81-V84 PolarHBondContact O-N 3.46Å; V84-H86 VanDerWaalsContact C-N 3.33Å; V84-H86 PolarHBondContact O-N 2.65Å; V84-L87 PolarHBondContact O-N 3.45Å; V84-A88 WeakPolarHBondContact O-CB 3.39Å; V84-A88 PolarHBondContact O-N 2.97Å
85Y95.6Very high89.7Confident81 Ų8169.6 Ų69.632%0.31844%0.439SS..Hα-helixtrans-55-46.7175.9172.7-92.1000112.2A43 A81 T82 I83 R89A43-Y85 HydrophobicContact CB-CD1 3.57Å; A43-Y85 HydrophobicContact CB-CD2 4.1Å; A43-Y85 HydrophobicContact CB-CE1 4.02Å; A43-Y85 HydrophobicContact CB-CE2 4.49Å; A43-Y85 HydrophobicContact CB-CG 3.62Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 2.91Å; T82-Y85 WeakPolarHBondContact O-CB 3.47Å; T82-Y85 PolarHBondContact O-N 2.89Å; I83-Y85 VanDerWaalsContact C-N 3.32Å; I83-Y85 PolarHBondContact O-N 2.86Å; Y85-R89 VanDerWaalsContact CE1-CD 3.5Å; Y85-R89 VanDerWaalsContact CZ-CD 3.41Å; Y85-R89 VanDerWaalsContact O-CG 3.32Å; Y85-R89 WeakPolarHBondContact O-CG 3.36Å; Y85-R89 PolarHBondContact O-N 2.89Å
86H95.3Very high89.3Confident14 Ų1472.3 Ų72.37%0.06545%0.45CS..Hα-helixtrans-72.3-40.3179.7-69.7-55.6000112.5F41 L61 T82 I83 V84 A88 R89 Q90F41-H86 PolarHBondContact O-NE2 3.09Å; L61-H86 HydrophobicContact CD1-CB 4Å; L61-H86 HydrophobicContact CD2-CB 4Å; T82-H86 PolarHBondContact O-CD2 3.32Å; T82-H86 PolarHBondContact O-N 3.19Å; T82-H86 VanDerWaalsContact O-N 3.08Å; I83-H86 PolarHBondContact O-N 3.35Å; V84-H86 VanDerWaalsContact C-N 3.33Å; V84-H86 PolarHBondContact O-N 2.65Å; H86-A88 PolarHBondContact O-N 3.27Å; H86-R89 PolarHBondContact O-N 3.17Å; H86-Q90 WeakPolarHBondContact O-CG 3.39Å; H86-Q90 PolarHBondContact O-N 3.19Å
87L94.7Very high88.9Confident85 Ų8571.5 Ų71.545%0.44546%0.455SS..Hα-helixtrans-60.2-44.9176.5-72.5173.6000111.7L61 I83 V84 R89 Q90L61-L87 HydrophobicContact CD2-CD2 3.78Å; L61-L87 HydrophobicContact CD2-CG 3.96Å; I83-L87 HydrophobicContact CG2-CD1 3.77Å; I83-L87 HydrophobicContact CG2-CG 4.32Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 2.75Å; V84-L87 PolarHBondContact O-N 3.45Å; L87-R89 PolarHBondContact O-N 3.16Å; L87-Q90 PolarHBondContact O-N 3.2Å; L87-Q90 VanDerWaalsContact O-N 3.12Å
88A93.7Very high88.4Confident80 Ų8068.5 Ų68.566%0.66144%0.438SS*.Hα-helixtrans-60.8-2817800000113V84 H86V84-A88 WeakPolarHBondContact O-CB 3.39Å; V84-A88 PolarHBondContact O-N 2.97Å; H86-A88 PolarHBondContact O-N 3.27Å
89R91.8Very high87.9Confident175 Ų17570.2 Ų70.266%0.6645%0.449SS*.Hα-helixtrans-87.9-9.7-180-68.8176.16376.54.8114.2Y85 H86 L87 G91Y85-R89 VanDerWaalsContact CE1-CD 3.5Å; Y85-R89 VanDerWaalsContact CZ-CD 3.41Å; Y85-R89 VanDerWaalsContact O-CG 3.32Å; Y85-R89 WeakPolarHBondContact O-CG 3.36Å; Y85-R89 PolarHBondContact O-N 2.89Å; H86-R89 PolarHBondContact O-N 3.17Å; L87-R89 PolarHBondContact O-N 3.16Å; R89-G91 VanDerWaalsContact C-N 3.27Å
90Q87.3Confident87.2Confident52 Ų5274.9 Ų74.924%0.24348%0.479CS..THydrogen-bonded Turntrans-77.5-14.5175.1-72.1179.89.700112.6H86 L87 N92H86-Q90 WeakPolarHBondContact O-CG 3.39Å; H86-Q90 PolarHBondContact O-N 3.19Å; L87-Q90 PolarHBondContact O-N 3.2Å; L87-Q90 VanDerWaalsContact O-N 3.12Å; Q90-N92 PolarHBondContact O-N 3.5Å
91G68.8Low86.4Confident63 Ų6376.3 Ų76.365%0.64949%0.486SS*.  trans68.715.9172.100000115.2R89 G93R89-G91 VanDerWaalsContact C-N 3.27Å; G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 3.38Å
92N63.1Low85.6Confident145 Ų14579 Ų7978%0.77550%0.496SS*.  trans-92.232.7178.5-67.8-22.6000112.6Q90Q90-N92 PolarHBondContact O-N 3.5Å
93G46.6Very low84.5Confident145 Ų14586.2 Ų86.2100%1.49554%0.541SS*.  trans-97.10177.200000111.8G91G91-G93 VanDerWaalsContact C-N 3.26Å; G91-G93 PolarHBondContact O-N 3.38Å

Retrieved 93 of 93 residues in 56.5 ms (Link to these results)