A0A059XAL2_HUMAN Loading...

UPF1

AlphaFold DB , UniProt , Accession A0A059XAL2, 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
1M91.3Very high97.2Very high202 Ų202101.8 Ų101.8100%0.99557%0.572SS**  0-53.10-66.1179.979.600112.5S3 A4 L5M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.39Å; M1-A4 PolarHBondContact O-N 3.09Å; M1-A4 VanDerWaalsContact O-N 3.08Å; M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.13Å
2Q97.2Very high97Very high155 Ų155109.2 Ų109.272%0.72460%0.598SS**Hα-helixtrans-52.7-42.7-176.8-67.1-62.5-14.900114.8A4 L5 K6Q2-A4 PolarHBondContact O-N 2.86Å; Q2-L5 PolarHBondContact O-N 3.46Å; Q2-K6 PolarHBondContact O-N 3.32Å
3S97.8Very high97Very high93 Ų93110.2 Ų110.265%0.6561%0.61SS**Hα-helixtrans-58.8-48.1176.6-1710000112.4M1 L5 K6 T7M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.39Å; S3-L5 PolarHBondContact O-N 3.22Å; S3-K6 PolarHBondContact O-N 3Å; S3-T7 PolarHBondContact O-N 3.47Å; S3-T7 PolarHBondContact O-OG1 3.36Å
4A97.9Very high97Very high67 Ų67105.4 Ų105.455%0.55459%0.588SS**Hα-helixtrans-64.6-37.6179.800000112.6M1 Q2 T7 F8M1-A4 PolarHBondContact O-N 3.09Å; M1-A4 VanDerWaalsContact O-N 3.08Å; Q2-A4 PolarHBondContact O-N 2.86Å; A4-T7 PolarHBondContact O-N 3.36Å; A4-F8 WeakPolarHBondContact O-CB 3.46Å; A4-F8 PolarHBondContact O-N 2.81Å
5L98.3Very high97.1Very high98 Ų98101.5 Ų101.551%0.51357%0.568SS.*Hα-helixtrans-65.7-41.5174.6-67.8176.1000111.6M1 Q2 S3 F8 A9M1-L5 PolarHBondContact O-N 2.98Å; M1-L5 VanDerWaalsContact O-N 3.13Å; Q2-L5 PolarHBondContact O-N 3.46Å; S3-L5 PolarHBondContact O-N 3.22Å; L5-F8 PolarHBondContact O-N 3.47Å; L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 3.04Å
6K98.3Very high97.1Very high146 Ų14698.8 Ų98.864%0.63556%0.558SS**Hα-helixtrans-60.8-49.1174.2-175.1178.2178.8-179.10110.5Q2 S3 F8 A9 V10Q2-K6 PolarHBondContact O-N 3.32Å; S3-K6 PolarHBondContact O-N 3Å; K6-F8 PolarHBondContact O-N 3.13Å; K6-A9 PolarHBondContact O-N 3.46Å; K6-A9 VanDerWaalsContact O-N 3.12Å; K6-V10 HydrophobicContact CG-CG1 4.24Å; K6-V10 HydrophobicContact CG-CG2 4.37Å; K6-V10 WeakPolarHBondContact O-CG1 3.33Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.41Å; K6-V10 PolarHBondContact O-N 3.42Å
7T98.3Very high97.1Very high59 Ų5995.8 Ų95.836%0.36255%0.554SS.*Hα-helixtrans-56.2-49.5176.5-60.80000111.4S3 A4 A9 V10 D11S3-T7 PolarHBondContact O-N 3.47Å; S3-T7 PolarHBondContact O-OG1 3.36Å; A4-T7 PolarHBondContact O-N 3.36Å; T7-A9 PolarHBondContact O-N 3.19Å; T7-V10 PolarHBondContact O-N 2.65Å; T7-D11 HydrophobicContact CG2-CB 4.26Å; T7-D11 WeakPolarHBondContact O-CB 3.36Å; T7-D11 PolarHBondContact O-N 2.91Å
8F98.3Very high97.1Very high56 Ų5692.6 Ų92.625%0.24653%0.531CS..Hα-helixtrans-60.3-31177.8-178.3-112.2000113.4A4 L5 K6 V15 Y20 L23 L24A4-F8 WeakPolarHBondContact O-CB 3.46Å; A4-F8 PolarHBondContact O-N 2.81Å; L5-F8 PolarHBondContact O-N 3.47Å; K6-F8 PolarHBondContact O-N 3.13Å; F8-V15 HydrophobicContact CD2-CG2 4.21Å; F8-V15 HydrophobicContact CE2-CG2 3.88Å; F8-Y20 HydrophobicContact CD2-CD2 4.49Å; F8-Y20 HydrophobicContact CE1-CE2 4.47Å; F8-Y20 AromaticContact CE2-CD2 3.69Å; F8-Y20 HydrophobicContact CE2-CD2 3.69Å; F8-Y20 HydrophobicContact CE2-CE2 4.33Å; F8-Y20 AromaticContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CE2 4.07Å; F8-L23 HydrophobicContact CE2-CD1 4.17Å; F8-L23 HydrophobicContact CZ-CB 4.35Å; F8-L23 HydrophobicContact CZ-CD1 4.32Å; F8-L24 HydrophobicContact CE1-CD2 4.17Å; F8-L24 HydrophobicContact CZ-CD2 4.48Å
9A97.2Very high97.1Very high80 Ų8090 Ų9066%0.66152%0.515SS*.Hα-helixtrans-84.6-30.2-179.600000114.3L5 K6 T7L5-A9 WeakPolarHBondContact O-CB 3.48Å; L5-A9 PolarHBondContact O-N 3.04Å; K6-A9 PolarHBondContact O-N 3.46Å; K6-A9 VanDerWaalsContact O-N 3.12Å; T7-A9 PolarHBondContact O-N 3.19Å
10V97.1Very high97.2Very high102 Ų10290 Ų9062%0.61851%0.507SS*.Hα-helixtrans-111.4-21.3-171.2-51.40000114.4K6 T7K6-V10 HydrophobicContact CG-CG1 4.24Å; K6-V10 HydrophobicContact CG-CG2 4.37Å; K6-V10 WeakPolarHBondContact O-CG1 3.33Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.41Å; K6-V10 PolarHBondContact O-N 3.42Å; T7-V10 PolarHBondContact O-N 2.65Å
11D97.8Very high97.2Very high62 Ų6289 Ų8933%0.33250%0.498SS..  trans-110.7100.1-179.31787.2000109.9T7 T13 S14T7-D11 HydrophobicContact CG2-CB 4.26Å; T7-D11 WeakPolarHBondContact O-CB 3.36Å; T7-D11 PolarHBondContact O-N 2.91Å; D11-T13 PolarHBondContact O-N 2.93Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.09Å; D11-T13 WeakPolarHBondContact OD1-CB 3.49Å; D11-T13 PolarHBondContact OD1-N 3.26Å; D11-T13 PolarHBondContact OD1-OG1 3.4Å; D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.32Å; D11-S14 VanDerWaalsContact O-N 3.13Å; D11-S14 PolarHBondContact O-OG 3.02Å
12E94.5Very high97.5Very high190 Ų19082.6 Ų82.689%0.88847%0.465SS*.THydrogen-bonded Turntrans-64.6-13.4178.9-60.8-176.6-179.400113.3
13T97Very high97.6Very high122 Ų12280.2 Ų80.275%0.74846%0.456SS*.THydrogen-bonded Turntrans-95-4.2177.670.80000113.5D11 V15D11-T13 PolarHBondContact O-N 2.93Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.09Å; D11-T13 WeakPolarHBondContact OD1-CB 3.49Å; D11-T13 PolarHBondContact OD1-N 3.26Å; D11-T13 PolarHBondContact OD1-OG1 3.4Å; T13-V15 PolarHBondContact O-N 3.13Å
14S97.7Very high97.6Very high44 Ų4479.4 Ų79.431%0.30844%0.444SS..SBendtrans-65.2-25.4-177.963.90000114D11D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.32Å; D11-S14 VanDerWaalsContact O-N 3.13Å; D11-S14 PolarHBondContact O-OG 3.02Å
15V97.6Very high97.6Very high46 Ų4679.4 Ų79.428%0.27945%0.45SS..SBendtrans-144.5162.9171.7-640000110.1F8 T13 I19F8-V15 HydrophobicContact CD2-CG2 4.21Å; F8-V15 HydrophobicContact CE2-CG2 3.88Å; T13-V15 PolarHBondContact O-N 3.13Å; V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.29Å; V15-I19 HydrophobicContact CG2-CG2 4.4Å
16S96.8Very high97.6Very high59 Ų5979.3 Ų79.341%0.41345%0.447SS..  trans-64.9150.2170.670.80000111.8Y18 I19 Y20S16-Y18 PolarHBondContact O-N 3.22Å; S16-I19 PolarHBondContact O-N 3.13Å; S16-I19 WeakPolarHBondContact OG-CG1 3.41Å; S16-I19 PolarHBondContact OG-N 3.2Å; S16-Y20 PolarHBondContact O-N 3.14Å
17G96.9Very high97.5Very high47 Ų4781.9 Ų81.949%0.48546%0.461SS..Hα-helixtrans-56.4-34.7177.600000113.7Y20 H21G17-Y20 PolarHBondContact O-N 3.48Å; G17-H21 PolarHBondContact O-CD2 3.28Å; G17-H21 PolarHBondContact O-N 3.5Å
18Y97.7Very high97.5Very high38 Ų3880.9 Ų80.915%0.14946%0.455CS..Hα-helixtrans-60.9-47.6173.8179.7-84.3000112S16 K22 V28 E29 V31 P64 L65S16-Y18 PolarHBondContact O-N 3.22Å; Y18-K22 HydrophobicContact CD1-CG 4.13Å; Y18-K22 HydrophobicContact CE1-CG 3.58Å; Y18-K22 HydrophobicContact CE2-CG 4.39Å; Y18-K22 WeakPolarHBondContact O-CB 3.24Å; Y18-K22 PolarHBondContact O-N 2.73Å; Y18-K22 WeakPolarHBondContact OH-CE 3.39Å; Y18-V28 HydrophobicContact CD2-CG2 4.1Å; Y18-V28 HydrophobicContact CE2-CG2 3.89Å; Y18-E29 WeakPolarHBondContact CE2-O 3.38Å; Y18-V31 HydrophobicContact CD2-CB 4.03Å; Y18-V31 HydrophobicContact CD2-CG2 3.44Å; Y18-V31 VanDerWaalsContact CD2-CG2 3.44Å; Y18-V31 HydrophobicContact CE2-CB 3.97Å; Y18-V31 HydrophobicContact CE2-CG2 3.67Å; Y18-V31 HydrophobicContact CG-CG2 4.36Å; Y18-P64 HydrophobicContact CD1-CB 3.89Å; Y18-P64 HydrophobicContact CD1-CG 3.37Å; Y18-P64 HydrophobicContact CD2-CG 4.48Å; Y18-P64 HydrophobicContact CE1-CB 4.14Å; Y18-P64 HydrophobicContact CE1-CG 3.26Å; Y18-P64 HydrophobicContact CE2-CG 4.35Å; Y18-P64 HydrophobicContact CG-CG 4.01Å; Y18-L65 HydrophobicContact CE1-CB 4.24Å
19I97.8Very high97.4Very high44 Ų4486.8 Ų86.823%0.22648%0.484CS..Hα-helixtrans-66.1-42.6179.4-69.6174.4000110.1V15 S16 H21 K22 L23V15-I19 HydrophobicContact CB-CB 4.33Å; V15-I19 HydrophobicContact CB-CG2 4.1Å; V15-I19 HydrophobicContact CG1-CG2 4.29Å; V15-I19 HydrophobicContact CG2-CG2 4.4Å; S16-I19 PolarHBondContact O-N 3.13Å; S16-I19 WeakPolarHBondContact OG-CG1 3.41Å; S16-I19 PolarHBondContact OG-N 3.2Å; I19-H21 PolarHBondContact O-N 2.95Å; I19-K22 PolarHBondContact O-N 3.13Å; I19-L23 HydrophobicContact CG2-CD1 3.61Å; I19-L23 HydrophobicContact CG2-CG 4.09Å; I19-L23 WeakPolarHBondContact O-CB 3.03Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.29Å; I19-L23 PolarHBondContact O-N 2.91Å
20Y98.2Very high97.2Very high89 Ų8987.5 Ų87.535%0.34948%0.476SS..Hα-helixtrans-53.4-54.5176179.7-95.3000111.6F8 S16 G17 L23 L24F8-Y20 HydrophobicContact CD2-CD2 4.49Å; F8-Y20 HydrophobicContact CE1-CE2 4.47Å; F8-Y20 AromaticContact CE2-CD2 3.69Å; F8-Y20 HydrophobicContact CE2-CD2 3.69Å; F8-Y20 HydrophobicContact CE2-CE2 4.33Å; F8-Y20 AromaticContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CD2 3.72Å; F8-Y20 HydrophobicContact CZ-CE2 4.07Å; S16-Y20 PolarHBondContact O-N 3.14Å; G17-Y20 PolarHBondContact O-N 3.48Å; Y20-L23 PolarHBondContact O-N 3.34Å; Y20-L24 HydrophobicContact CD1-CD1 4.07Å; Y20-L24 HydrophobicContact CE1-CD1 3.44Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.44Å; Y20-L24 HydrophobicContact CE2-CD1 4Å; Y20-L24 WeakPolarHBondContact O-CG 3.38Å; Y20-L24 PolarHBondContact O-N 2.94Å; Y20-L24 VanDerWaalsContact O-N 3.13Å
21H98.1Very high97.1Very high71 Ų7185.9 Ų85.933%0.32947%0.466SS..Hα-helixtrans-65.9-41.2-178.9-73-50.9000113.4G17 I19 L23 L24 G25 H26 V28G17-H21 PolarHBondContact O-CD2 3.28Å; G17-H21 PolarHBondContact O-N 3.5Å; I19-H21 PolarHBondContact O-N 2.95Å; H21-L23 VanDerWaalsContact C-N 3.35Å; H21-L23 PolarHBondContact O-N 3.01Å; H21-L24 PolarHBondContact O-N 3.4Å; H21-G25 PolarHBondContact O-N 3.36Å; H21-H26 HydrophobicContact CB-CB 4.07Å; H21-H26 AromaticContact CE1-ND1 3.86Å; H21-H26 AromaticContact ND1-CE1 3.91Å; H21-H26 AromaticContact ND1-CG 3.93Å; H21-H26 AromaticContact ND1-ND1 3.09Å; H21-H26 PolarHBondContact ND1-ND1 3Å; H21-H26 PolarHBondContact O-N 3.23Å; H21-V28 HydrophobicContact CB-CG1 3.44Å; H21-V28 VanDerWaalsContact CB-CG1 3.44Å
22K97.7Very high97Very high67 Ų6788.8 Ų88.829%0.29148%0.481SS..Hα-helixtrans-63.1-39.2175.7-78-61.1-165.4-161.40112.2Y18 I19 L24 G25 V28 D30 L65Y18-K22 HydrophobicContact CD1-CG 4.13Å; Y18-K22 HydrophobicContact CE1-CG 3.58Å; Y18-K22 HydrophobicContact CE2-CG 4.39Å; Y18-K22 WeakPolarHBondContact O-CB 3.24Å; Y18-K22 PolarHBondContact O-N 2.73Å; Y18-K22 WeakPolarHBondContact OH-CE 3.39Å; I19-K22 PolarHBondContact O-N 3.13Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-G25 PolarHBondContact O-N 3.15Å; K22-V28 HydrophobicContact CD-CG2 3.49Å; K22-V28 VanDerWaalsContact CD-CG2 3.49Å; K22-V28 HydrophobicContact CG-CG2 3.69Å; K22-V28 PolarHBondContact NZ-O 3.43Å; K22-D30 IonicContact NZ-OD1 3.73Å; K22-L65 HydrophobicContact CB-CD2 3.89Å; K22-L65 HydrophobicContact CG-CD2 4.48Å
23L97.8Very high97Very high104 Ų10483 Ų8355%0.54546%0.455SS..Hα-helixtrans-68.8-31178.6-71.3174.7000112.7F8 I19 Y20 H21 G25F8-L23 HydrophobicContact CE2-CD1 4.17Å; F8-L23 HydrophobicContact CZ-CB 4.35Å; F8-L23 HydrophobicContact CZ-CD1 4.32Å; I19-L23 HydrophobicContact CG2-CD1 3.61Å; I19-L23 HydrophobicContact CG2-CG 4.09Å; I19-L23 WeakPolarHBondContact O-CB 3.03Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.29Å; I19-L23 PolarHBondContact O-N 2.91Å; Y20-L23 PolarHBondContact O-N 3.34Å; H21-L23 VanDerWaalsContact C-N 3.35Å; H21-L23 PolarHBondContact O-N 3.01Å; L23-G25 VanDerWaalsContact C-N 3.29Å
24L98.1Very high96.8Very high77 Ų7787 Ų8740%0.40346%0.462SS..THydrogen-bonded Turntrans-83.6-0174.9-65.2-176.4000114F8 Y20 H21 K22 H26F8-L24 HydrophobicContact CE1-CD2 4.17Å; F8-L24 HydrophobicContact CZ-CD2 4.48Å; Y20-L24 HydrophobicContact CD1-CD1 4.07Å; Y20-L24 HydrophobicContact CE1-CD1 3.44Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.44Å; Y20-L24 HydrophobicContact CE2-CD1 4Å; Y20-L24 WeakPolarHBondContact O-CG 3.38Å; Y20-L24 PolarHBondContact O-N 2.94Å; Y20-L24 VanDerWaalsContact O-N 3.13Å; H21-L24 PolarHBondContact O-N 3.4Å; K22-L24 VanDerWaalsContact C-N 3.33Å; L24-H26 VanDerWaalsContact C-N 3.3Å; L24-H26 PolarHBondContact O-N 3.12Å
25G98.1Very high96.5Very high66 Ų6686.5 Ų86.568%0.6846%0.458SS*.THydrogen-bonded Turntrans7418179.800000114.2H21 K22 L23H21-G25 PolarHBondContact O-N 3.36Å; K22-G25 PolarHBondContact O-N 3.15Å; L23-G25 VanDerWaalsContact C-N 3.29Å
26H98.3Very high96.2Very high96 Ų9693.1 Ų93.144%0.44449%0.486SS..  trans-72.8147.2173.6-61.8-172.6000110.1H21 L24 V28H21-H26 HydrophobicContact CB-CB 4.07Å; H21-H26 AromaticContact CE1-ND1 3.86Å; H21-H26 AromaticContact ND1-CE1 3.91Å; H21-H26 AromaticContact ND1-CG 3.93Å; H21-H26 AromaticContact ND1-ND1 3.09Å; H21-H26 PolarHBondContact ND1-ND1 3Å; H21-H26 PolarHBondContact O-N 3.23Å; L24-H26 VanDerWaalsContact C-N 3.3Å; L24-H26 PolarHBondContact O-N 3.12Å; H26-V28 PolarHBondContact O-N 3.46Å
27E97.3Very high96.1Very high200 Ų20093.3 Ų93.394%0.93548%0.482SS*.  trans-71.7121.7171.2-66.1-169.9169.900110
28V97.1Very high96Very high39 Ų3992.6 Ų92.624%0.23647%0.469CS..  trans-138.4142.7173.2-62.70000109.4Y18 H21 K22 H26Y18-V28 HydrophobicContact CD2-CG2 4.1Å; Y18-V28 HydrophobicContact CE2-CG2 3.89Å; H21-V28 HydrophobicContact CB-CG1 3.44Å; H21-V28 VanDerWaalsContact CB-CG1 3.44Å; K22-V28 HydrophobicContact CD-CG2 3.49Å; K22-V28 VanDerWaalsContact CD-CG2 3.49Å; K22-V28 HydrophobicContact CG-CG2 3.69Å; K22-V28 PolarHBondContact NZ-O 3.43Å; H26-V28 PolarHBondContact O-N 3.46Å
29E96.5Very high95.8Very high179 Ų179101.6 Ų101.684%0.83651%0.509SS*.PPolyproline II helixtrans-60.9144.2176-64.5-17417600111.4Y18 V31Y18-E29 WeakPolarHBondContact CE2-O 3.38Å; E29-V31 PolarHBondContact O-N 3.26Å
30D93.7Very high95.7Very high95 Ų95107.1 Ų107.151%0.50853%0.527SS..PPolyproline II helixtrans-66.9126.8179.4-91.38.4000111.1K22 R63K22-D30 IonicContact NZ-OD1 3.73Å; D30-R63 IonicContact OD2-CZ 3.71Å; D30-R63 IonicContact OD2-NH1 2.86Å; D30-R63 PolarHBondContact OD2-NH1 2.91Å; D30-R63 IonicContact OD2-NH2 3.8Å
31V94.9Very high95.6Very high68 Ų68104.6 Ų104.641%0.41252%0.518SS..PPolyproline II helixtrans-98.8134.7178.1175.80000110.5Y18 E29 P64Y18-V31 HydrophobicContact CD2-CB 4.03Å; Y18-V31 HydrophobicContact CD2-CG2 3.44Å; Y18-V31 VanDerWaalsContact CD2-CG2 3.44Å; Y18-V31 HydrophobicContact CE2-CB 3.97Å; Y18-V31 HydrophobicContact CE2-CG2 3.67Å; Y18-V31 HydrophobicContact CG-CG2 4.36Å; E29-V31 PolarHBondContact O-N 3.26Å; V31-P64 HydrophobicContact CB-CG 4.26Å; V31-P64 WeakPolarHBondContact O-CD 3.23Å
32I95.3Very high95.5Very high124 Ų124102.3 Ų102.364%0.63651%0.509SS*.  trans-106.1120.7172.2-59.1176.4000109.4K34 Q62I32-K34 PolarHBondContact O-N 3.46Å; I32-Q62 CarbonylContact C-O 3.58Å; I32-Q62 WeakPolarHBondContact CA-O 3.46Å; I32-Q62 HydrophobicContact CG2-CB 4.47Å
33I94.1Very high95.5Very high68 Ų6899.3 Ų99.335%0.34950%0.497SS..  trans-76.1121.4171.8-58.4175.6000108.3C35 Q62 P64I33-C35 PolarHBondContact O-N 2.77Å; I33-Q62 PolarHBondContact N-O 3.48Å; I33-P64 HydrophobicContact CD1-CB 4.2Å
34K93.1Very high95.4Very high207 Ų207102.5 Ų102.590%0.951%0.509SS*.  trans-76.5114.4171.4-66.4-177.2-178.4177.30108.6I32I32-K34 PolarHBondContact O-N 3.46Å
35C91Very high95.4Very high33 Ų33102.8 Ų102.822%0.22353%0.53CS..  trans-141.2156.8174.467.60000109.9I33 L37 L61I33-C35 PolarHBondContact O-N 2.77Å; C35-L37 PolarHBondContact O-N 2.96Å; C35-L61 PolarHBondContact SG-O 2.99Å
36Q92.3Very high95.3Very high184 Ų184102.4 Ų102.486%0.8651%0.513SS*.  trans-78.3113.1168.3-68.6-172.4-8.300108.6
37L94.8Very high95.3Very high64 Ų64101.8 Ų101.834%0.33552%0.517SS..  trans-70.6142175.8-67.6177.7000110.4C35 F41 K58 L61 Q62C35-L37 PolarHBondContact O-N 2.96Å; L37-F41 HydrophobicContact CB-CZ 4.44Å; L37-F41 HydrophobicContact CD2-CE1 4.47Å; L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.08Å; L37-L61 HydrophobicContact CD2-CB 4.05Å; L37-L61 HydrophobicContact CD2-CD1 4.12Å; L37-Q62 HydrophobicContact CD2-CG 4.03Å
38P94.5Very high95.3Very high32 Ų3297.5 Ų97.521%0.20850%0.501CS..  trans-67.9147.1177.931.2-36.9000110.5R40 F41 L61P38-R40 VanDerWaalsContact C-N 3.25Å; P38-R40 PolarHBondContact O-N 3.25Å; P38-F41 HydrophobicContact CG-CD1 3.72Å; P38-F41 HydrophobicContact CG-CE1 3.76Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.43Å; P38-L61 HydrophobicContact CG-CD1 4.38Å
39K93.6Very high95.4Very high227 Ų22796.6 Ų96.699%0.98749%0.494SS*.SBendtrans-64.2-31.5174.8-65.3-176.2-179.7-179.70112.5
40R95Very high95.5Very high159 Ų15991.9 Ų91.960%0.648%0.475SS*.  trans-128127.7174.6-173.6176.3-177.2178-0.1109.1P38 D48P38-R40 VanDerWaalsContact C-N 3.25Å; P38-R40 PolarHBondContact O-N 3.25Å; R40-D48 IonicContact CZ-OD1 3.7Å; R40-D48 IonicContact NE-OD1 3.87Å; R40-D48 IonicContact NH2-OD1 2.74Å; R40-D48 PolarHBondContact NH2-OD1 3.45Å; R40-D48 IonicContact NH2-OD2 3.45Å; R40-D48 PolarHBondContact NH2-OD2 3.3Å
41F96.9Very high95.7Very high36 Ų3695.1 Ų95.116%0.15849%0.487CS..  trans-80.9-27.8179.7-72.8-78.7000113.3L37 P38 A43 L49 V54 V57 K58 L61 T82 H86L37-F41 HydrophobicContact CB-CZ 4.44Å; L37-F41 HydrophobicContact CD2-CE1 4.47Å; P38-F41 HydrophobicContact CG-CD1 3.72Å; P38-F41 HydrophobicContact CG-CE1 3.76Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.43Å; F41-A43 PolarHBondContact O-N 3.39Å; F41-L49 HydrophobicContact CB-CD1 4.46Å; F41-V54 HydrophobicContact CB-CG1 4.34Å; F41-V54 HydrophobicContact CB-CG2 4.38Å; F41-V54 HydrophobicContact CD2-CG1 3.69Å; F41-V54 HydrophobicContact CE2-CG1 4.27Å; F41-V54 HydrophobicContact CG-CG1 4.13Å; F41-V57 HydrophobicContact CD1-CB 4.15Å; F41-V57 HydrophobicContact CD1-CG1 3.65Å; F41-V57 HydrophobicContact CE1-CG1 4.32Å; F41-K58 HydrophobicContact CE1-CB 3.87Å; F41-K58 HydrophobicContact CE1-CG 4.4Å; F41-K58 HydrophobicContact CE2-CB 4.48Å; F41-K58 HydrophobicContact CZ-CB 3.75Å; F41-K58 HydrophobicContact CZ-CD 4.36Å; F41-K58 HydrophobicContact CZ-CG 3.93Å; F41-L61 HydrophobicContact CE1-CD1 4.29Å; F41-T82 WeakPolarHBondContact O-CG2 3.34Å; F41-H86 PolarHBondContact O-NE2 2.93Å
42T96.3Very high95.8Very high23 Ų2395.6 Ų95.614%0.14149%0.493CS..SBendtrans-59.8127.5172.6-50.60000110.7D48T42-D48 WeakPolarHBondContact CB-OD1 3.36Å; T42-D48 VanDerWaalsContact CG2-OD1 3.32Å; T42-D48 WeakPolarHBondContact CG2-OD1 3.03Å; T42-D48 PolarHBondContact OG1-OD1 3.15Å
43A97.2Very high95.9Very high4 Ų490.7 Ų90.73%0.03347%0.467CS..PPolyproline II helixtrans-79.9148.1173.100000111.6F41 G45 L46 T82 Y85F41-A43 PolarHBondContact O-N 3.39Å; A43-G45 PolarHBondContact O-N 3.43Å; A43-L46 HydrophobicContact CB-CB 4.48Å; A43-L46 HydrophobicContact CB-CD1 4Å; A43-L46 HydrophobicContact CB-CG 4.32Å; A43-L46 PolarHBondContact O-N 3.38Å; A43-L46 VanDerWaalsContact O-N 3.17Å; A43-T82 HydrophobicContact CB-CG2 4.07Å; A43-Y85 HydrophobicContact CB-CD1 3.51Å; A43-Y85 HydrophobicContact CB-CD2 4.07Å; A43-Y85 HydrophobicContact CB-CE1 4.02Å; A43-Y85 HydrophobicContact CB-CG 3.54Å
44Q96.1Very high96.1Very high171 Ų17189.5 Ų89.580%0.79946%0.463SS*.THydrogen-bonded Turntrans-60.1131.6177.3-174.2178.716.400110.9L46Q44-L46 VanDerWaalsContact C-N 3.29Å; Q44-L46 PolarHBondContact O-N 3.44Å
45G96.5Very high96.4Very high83 Ų8387 Ų8786%0.85645%0.449SS*.THydrogen-bonded Turntrans81.31.5-179.800000114.9A43A43-G45 PolarHBondContact O-N 3.43Å
46L97.6Very high96.7Very high59 Ų5986.2 Ų86.231%0.30945%0.445SS..SBendtrans-108.8155.5172.9-64-172.6000111.7A43 Q44 V78 A81 T82A43-L46 HydrophobicContact CB-CB 4.48Å; A43-L46 HydrophobicContact CB-CD1 4Å; A43-L46 HydrophobicContact CB-CG 4.32Å; A43-L46 PolarHBondContact O-N 3.38Å; A43-L46 VanDerWaalsContact O-N 3.17Å; Q44-L46 VanDerWaalsContact C-N 3.29Å; Q44-L46 PolarHBondContact O-N 3.44Å; L46-V78 HydrophobicContact CB-CG1 4.41Å; L46-A81 HydrophobicContact CD1-CB 3.64Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.45Å
47P97.9Very high96.9Very high83 Ų8377.5 Ų77.554%0.53940%0.404SS..PPolyproline II helixtrans-56.7151.7172.7-24.134000112.5L49 V78P47-L49 PolarHBondContact O-N 2.96Å; P47-V78 HydrophobicContact CG-CG1 4.49Å; P47-V78 HydrophobicContact CG-CG2 4.49Å
48D97.9Very high97.1Very high110 Ų11078.9 Ų78.959%0.58841%0.408SS*.PPolyproline II helixtrans-61.5137.6173.5-85.5-42.8000111.5R40 T42R40-D48 IonicContact CZ-OD1 3.7Å; R40-D48 IonicContact NE-OD1 3.87Å; R40-D48 IonicContact NH2-OD1 2.74Å; R40-D48 PolarHBondContact NH2-OD1 3.45Å; R40-D48 IonicContact NH2-OD2 3.45Å; R40-D48 PolarHBondContact NH2-OD2 3.3Å; T42-D48 WeakPolarHBondContact CB-OD1 3.36Å; T42-D48 VanDerWaalsContact CG2-OD1 3.32Å; T42-D48 WeakPolarHBondContact CG2-OD1 3.03Å; T42-D48 PolarHBondContact OG1-OD1 3.15Å
49L98.1Very high97.2Very high19 Ų1978.6 Ų78.610%0.09941%0.406CS..PPolyproline II helixtrans-81138.8-179.6-61.3-170.8000110.7F41 P47 Q53 V54 V57 V78 T82F41-L49 HydrophobicContact CB-CD1 4.46Å; P47-L49 PolarHBondContact O-N 2.96Å; L49-Q53 HydrophobicContact CB-CB 3.95Å; L49-Q53 HydrophobicContact CD1-CB 4.37Å; L49-Q53 HydrophobicContact CD2-CB 4.12Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; L49-V54 HydrophobicContact CB-CG2 3.66Å; L49-V54 HydrophobicContact CD1-CG2 4.44Å; L49-V57 HydrophobicContact CD1-CG2 3.67Å; L49-V78 HydrophobicContact CD2-CG1 3.93Å; L49-T82 HydrophobicContact CD1-CG2 3.83Å
50N97.8Very high97.3Very high80 Ų8068.7 Ų68.743%0.42836%0.364SS..  trans-77.3176.2168.171.631.8000111.3S52 Q53 V54N50-S52 PolarHBondContact O-N 3.34Å; N50-S52 PolarHBondContact OD1-N 3.43Å; N50-S52 VanDerWaalsContact OD1-N 3.13Å; N50-S52 PolarHBondContact OD1-OG 2.91Å; N50-Q53 PolarHBondContact O-N 3.42Å; N50-Q53 VanDerWaalsContact OD1-CG 3.27Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.49Å; N50-Q53 PolarHBondContact OD1-N 3.13Å; N50-V54 WeakPolarHBondContact O-CG2 3.41Å; N50-V54 PolarHBondContact O-N 3.21Å
51H97.8Very high97.4Very high164 Ų16461.3 Ų61.376%0.75934%0.336SS*.Hα-helixtrans-57.1-43.7-175.9-175.174.8000114V54 Y55H51-V54 PolarHBondContact O-N 2.97Å; H51-Y55 WeakPolarHBondContact O-CB 3.35Å; H51-Y55 PolarHBondContact O-N 3.13Å
52S97.8Very high97.4Very high77 Ų7762.2 Ų62.254%0.53834%0.341SS..Hα-helixtrans-71.2-34.3-178.360.60000112.2N50 Y55 A56N50-S52 PolarHBondContact O-N 3.34Å; N50-S52 PolarHBondContact OD1-N 3.43Å; N50-S52 VanDerWaalsContact OD1-N 3.13Å; N50-S52 PolarHBondContact OD1-OG 2.91Å; S52-Y55 PolarHBondContact O-N 3.17Å; S52-A56 WeakPolarHBondContact O-CB 3.5Å; S52-A56 PolarHBondContact O-N 3.47Å
53Q98.4Very high97.4Very high22 Ų2266.2 Ų66.210%0.10335%0.354CS..Hα-helixtrans-69.5-42.9174.5-64.8168-19.300111.3L49 N50 Y55 A56 V57 T74 T79L49-Q53 HydrophobicContact CB-CB 3.95Å; L49-Q53 HydrophobicContact CD1-CB 4.37Å; L49-Q53 HydrophobicContact CD2-CB 4.12Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; N50-Q53 PolarHBondContact O-N 3.42Å; N50-Q53 VanDerWaalsContact OD1-CG 3.27Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.49Å; N50-Q53 PolarHBondContact OD1-N 3.13Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.48Å; Q53-A56 WeakPolarHBondContact O-CB 3.38Å; Q53-A56 PolarHBondContact O-N 3.21Å; Q53-V57 WeakPolarHBondContact O-CG2 3.43Å; Q53-V57 PolarHBondContact O-N 3.36Å; Q53-T74 PolarHBondContact NE2-O 3.2Å; Q53-T79 HydrophobicContact CB-CG2 4.44Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.36Å
54V98.3Very high97.3Very high43 Ų4367.7 Ų67.726%0.26136%0.363SS..Hα-helixtrans-58.5-45.4172.9170.80000110.7F41 L49 N50 H51 A56 V57 K58F41-V54 HydrophobicContact CB-CG1 4.34Å; F41-V54 HydrophobicContact CB-CG2 4.38Å; F41-V54 HydrophobicContact CD2-CG1 3.69Å; F41-V54 HydrophobicContact CE2-CG1 4.27Å; F41-V54 HydrophobicContact CG-CG1 4.13Å; L49-V54 HydrophobicContact CB-CG2 3.66Å; L49-V54 HydrophobicContact CD1-CG2 4.44Å; N50-V54 WeakPolarHBondContact O-CG2 3.41Å; N50-V54 PolarHBondContact O-N 3.21Å; H51-V54 PolarHBondContact O-N 2.97Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 2.93Å; V54-V57 PolarHBondContact O-N 3.48Å; V54-K58 WeakPolarHBondContact O-CB 3.42Å; V54-K58 PolarHBondContact O-N 3.24Å
55Y97.9Very high97.3Very high153 Ų15363.3 Ų63.360%0.634%0.344SS*.Hα-helixtrans-60.1-43.5176.1178.3-98.5000112H51 S52 Q53 K58 T59H51-Y55 WeakPolarHBondContact O-CB 3.35Å; H51-Y55 PolarHBondContact O-N 3.13Å; S52-Y55 PolarHBondContact O-N 3.17Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.48Å; Y55-K58 PolarHBondContact O-N 3.19Å; Y55-T59 WeakPolarHBondContact O-CB 3.47Å; Y55-T59 PolarHBondContact O-N 3.45Å; Y55-T59 PolarHBondContact O-OG1 2.92Å
56A97.9Very high97.4Very high18 Ų1862.3 Ų62.315%0.14932%0.319CS..Hα-helixtrans-60-51.7176.100000111.3S52 Q53 V54 K58 T59 V60 I68 T79S52-A56 WeakPolarHBondContact O-CB 3.5Å; S52-A56 PolarHBondContact O-N 3.47Å; Q53-A56 WeakPolarHBondContact O-CB 3.38Å; Q53-A56 PolarHBondContact O-N 3.21Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 2.93Å; A56-K58 PolarHBondContact O-N 3.45Å; A56-T59 PolarHBondContact O-N 2.94Å; A56-V60 WeakPolarHBondContact O-CB 3.46Å; A56-V60 WeakPolarHBondContact O-CG2 2.93Å; A56-V60 PolarHBondContact O-N 3.47Å; A56-I68 HydrophobicContact CB-CD1 4.34Å; A56-T79 HydrophobicContact CB-CG2 4.06Å
57V97.7Very high97.3Very high0 Ų067.2 Ų67.20%035%0.345CS..Hα-helixtrans-58.4-48.7179.1179.20000110.9F41 L49 Q53 V54 T59 V60 L61 T79 T82 I83F41-V57 HydrophobicContact CD1-CB 4.15Å; F41-V57 HydrophobicContact CD1-CG1 3.65Å; F41-V57 HydrophobicContact CE1-CG1 4.32Å; L49-V57 HydrophobicContact CD1-CG2 3.67Å; Q53-V57 WeakPolarHBondContact O-CG2 3.43Å; Q53-V57 PolarHBondContact O-N 3.36Å; V54-V57 PolarHBondContact O-N 3.48Å; V57-T59 VanDerWaalsContact C-N 3.33Å; V57-T59 PolarHBondContact O-N 3.37Å; V57-V60 PolarHBondContact O-N 3.44Å; V57-L61 HydrophobicContact CG1-CD1 4.3Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 2.91Å; V57-L61 VanDerWaalsContact O-N 3.15Å; V57-T79 HydrophobicContact CG2-CG2 4.08Å; V57-T82 HydrophobicContact CG1-CG2 4.35Å; V57-T82 HydrophobicContact CG2-CG2 4.02Å; V57-I83 HydrophobicContact CB-CG1 4.42Å; V57-I83 HydrophobicContact CG1-CG1 4.4Å; V57-I83 HydrophobicContact CG2-CG1 4.04Å
58K97.4Very high97.3Very high93 Ų9366.4 Ų66.440%0.40434%0.335SS..Hα-helixtrans-57.1-46.9178.5-178.5-178.6176.4-174.90111.8L37 F41 V54 Y55 A56 L61L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.08Å; F41-K58 HydrophobicContact CE1-CB 3.87Å; F41-K58 HydrophobicContact CE1-CG 4.4Å; F41-K58 HydrophobicContact CE2-CB 4.48Å; F41-K58 HydrophobicContact CZ-CB 3.75Å; F41-K58 HydrophobicContact CZ-CD 4.36Å; F41-K58 HydrophobicContact CZ-CG 3.93Å; V54-K58 WeakPolarHBondContact O-CB 3.42Å; V54-K58 PolarHBondContact O-N 3.24Å; Y55-K58 PolarHBondContact O-N 3.19Å; A56-K58 PolarHBondContact O-N 3.45Å; K58-L61 PolarHBondContact O-N 2.95Å
59T97.1Very high97.2Very high27 Ų2769.8 Ų69.817%0.16635%0.347CS..Hα-helixtrans-65.5-40.8-178.3-55.50000111.4Y55 A56 V57 L61 Q62 R63 I66Y55-T59 WeakPolarHBondContact O-CB 3.47Å; Y55-T59 PolarHBondContact O-N 3.45Å; Y55-T59 PolarHBondContact O-OG1 2.92Å; A56-T59 PolarHBondContact O-N 2.94Å; V57-T59 VanDerWaalsContact C-N 3.33Å; V57-T59 PolarHBondContact O-N 3.37Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 2.93Å; T59-Q62 PolarHBondContact O-N 3.25Å; T59-R63 HydrophobicContact CG2-CG 4.41Å; T59-R63 PolarHBondContact O-N 3.32Å; T59-I66 HydrophobicContact CG2-CG2 4.11Å
60V96.8Very high97.1Very high19 Ų1969.8 Ų69.812%0.11535%0.352CS..Hα-helixtrans-61.8-41.7179.3174.50000111.8A56 V57 Q62 R63 I66 I68 I83A56-V60 WeakPolarHBondContact O-CB 3.46Å; A56-V60 WeakPolarHBondContact O-CG2 2.93Å; A56-V60 PolarHBondContact O-N 3.47Å; V57-V60 PolarHBondContact O-N 3.44Å; V60-Q62 PolarHBondContact O-N 3.13Å; V60-Q62 VanDerWaalsContact O-N 3.13Å; V60-R63 PolarHBondContact O-N 2.77Å; V60-I66 HydrophobicContact CB-CD1 4.23Å; V60-I66 HydrophobicContact CB-CG1 4.11Å; V60-I66 HydrophobicContact CG1-CD1 4.02Å; V60-I66 HydrophobicContact CG1-CG1 4.02Å; V60-I66 HydrophobicContact CG2-CB 4.41Å; V60-I66 HydrophobicContact CG2-CD1 4.41Å; V60-I66 HydrophobicContact CG2-CG1 3.75Å; V60-I68 HydrophobicContact CG2-CD1 3.72Å; V60-I68 HydrophobicContact CG2-CG1 4.41Å; V60-I83 HydrophobicContact CB-CD1 4.12Å; V60-I83 HydrophobicContact CB-CG1 4.24Å; V60-I83 HydrophobicContact CB-CG2 4.48Å; V60-I83 HydrophobicContact CG1-CD1 4.11Å; V60-I83 HydrophobicContact CG1-CG1 4.18Å; V60-I83 HydrophobicContact CG1-CG2 3.55Å; V60-I83 HydrophobicContact CG2-CD1 3.64Å; V60-I83 HydrophobicContact CG2-CG1 4.28Å
61L96.1Very high97Very high3 Ų370.2 Ų70.22%0.01636%0.359CS..THydrogen-bonded Turntrans-66.7-14.9-179.2-65.4178.8000113.6C35 L37 P38 F41 V57 K58 T59 H86 L87C35-L61 PolarHBondContact SG-O 2.99Å; L37-L61 HydrophobicContact CD2-CB 4.05Å; L37-L61 HydrophobicContact CD2-CD1 4.12Å; P38-L61 HydrophobicContact CG-CD1 4.38Å; F41-L61 HydrophobicContact CE1-CD1 4.29Å; V57-L61 HydrophobicContact CG1-CD1 4.3Å; V57-L61 WeakPolarHBondContact O-CG 3.36Å; V57-L61 PolarHBondContact O-N 2.91Å; V57-L61 VanDerWaalsContact O-N 3.15Å; K58-L61 PolarHBondContact O-N 2.95Å; T59-L61 VanDerWaalsContact C-N 3.34Å; T59-L61 PolarHBondContact O-N 2.93Å; L61-H86 HydrophobicContact CD1-CB 4.05Å; L61-H86 HydrophobicContact CD2-CB 3.99Å; L61-L87 HydrophobicContact CD2-CD2 3.76Å; L61-L87 HydrophobicContact CD2-CG 4.03Å
62Q96.4Very high97Very high56 Ų5668.4 Ų68.426%0.26236%0.362SS..THydrogen-bonded Turntrans-115.4-2.3-174.5-60-169.7-81.300113.8I32 I33 L37 T59 V60I32-Q62 CarbonylContact C-O 3.58Å; I32-Q62 WeakPolarHBondContact CA-O 3.46Å; I32-Q62 HydrophobicContact CG2-CB 4.47Å; I33-Q62 PolarHBondContact N-O 3.48Å; L37-Q62 HydrophobicContact CD2-CG 4.03Å; T59-Q62 PolarHBondContact O-N 3.25Å; V60-Q62 PolarHBondContact O-N 3.13Å; V60-Q62 VanDerWaalsContact O-N 3.13Å
63R96.6Very high96.9Very high107 Ų10768.9 Ų68.940%0.40438%0.379SS..  trans-125140.6-179.2-68.5-168.8179.1-128.3-1.9110.8D30 T59 V60 L65 I66D30-R63 IonicContact OD2-CZ 3.71Å; D30-R63 IonicContact OD2-NH1 2.86Å; D30-R63 PolarHBondContact OD2-NH1 2.91Å; D30-R63 IonicContact OD2-NH2 3.8Å; T59-R63 HydrophobicContact CG2-CG 4.41Å; T59-R63 PolarHBondContact O-N 3.32Å; V60-R63 PolarHBondContact O-N 2.77Å; R63-L65 VanDerWaalsContact C-N 3.33Å; R63-L65 PolarHBondContact O-N 3.31Å; R63-I66 HydrophobicContact CB-CD1 3.98Å; R63-I66 HydrophobicContact CB-CG2 4.1Å; R63-I66 WeakPolarHBondContact O-CD1 3.44Å
64P95.7Very high96.8Very high34 Ų3470.6 Ų70.622%0.22139%0.391CS..SBendtrans-73.7-21.617929.3-37.4000114Y18 V31 I33Y18-P64 HydrophobicContact CD1-CB 3.89Å; Y18-P64 HydrophobicContact CD1-CG 3.37Å; Y18-P64 HydrophobicContact CD2-CG 4.48Å; Y18-P64 HydrophobicContact CE1-CB 4.14Å; Y18-P64 HydrophobicContact CE1-CG 3.26Å; Y18-P64 HydrophobicContact CE2-CG 4.35Å; Y18-P64 HydrophobicContact CG-CG 4.01Å; V31-P64 HydrophobicContact CB-CG 4.26Å; V31-P64 WeakPolarHBondContact O-CD 3.23Å; I33-P64 HydrophobicContact CD1-CB 4.2Å
65L96.8Very high96.7Very high79 Ų7969.6 Ų69.641%0.41439%0.39SS..SBendtrans-143.5131.7176.8-176.763.7000110.1Y18 K22 R63Y18-L65 HydrophobicContact CE1-CB 4.24Å; K22-L65 HydrophobicContact CB-CD2 3.89Å; K22-L65 HydrophobicContact CG-CD2 4.48Å; R63-L65 VanDerWaalsContact C-N 3.33Å; R63-L65 PolarHBondContact O-N 3.31Å
66I96.7Very high96.7Very high62 Ų6266.2 Ų66.232%0.31838%0.378SS..  trans-148.6145.5-17729.6-85.9000109.7T59 V60 R63T59-I66 HydrophobicContact CG2-CG2 4.11Å; V60-I66 HydrophobicContact CB-CD1 4.23Å; V60-I66 HydrophobicContact CB-CG1 4.11Å; V60-I66 HydrophobicContact CG1-CD1 4.02Å; V60-I66 HydrophobicContact CG1-CG1 4.02Å; V60-I66 HydrophobicContact CG2-CB 4.41Å; V60-I66 HydrophobicContact CG2-CD1 4.41Å; V60-I66 HydrophobicContact CG2-CG1 3.75Å; R63-I66 HydrophobicContact CB-CD1 3.98Å; R63-I66 HydrophobicContact CB-CG2 4.1Å; R63-I66 WeakPolarHBondContact O-CD1 3.44Å
67L97.4Very high96.7Very high163 Ų16371 Ų7185%0.85341%0.405SS*.  trans-113.5123.6171-173.271.1000108.8
68I96.9Very high96.7Very high65 Ų6572.8 Ų72.833%0.33342%0.416SS..  trans-106.2123173.4-64.1168.7000108.4A56 V60 I83A56-I68 HydrophobicContact CB-CD1 4.34Å; V60-I68 HydrophobicContact CG2-CD1 3.72Å; V60-I68 HydrophobicContact CG2-CG1 4.41Å; I68-I83 HydrophobicContact CD1-CD1 3.5Å
69Q96.9Very high96.8Very high181 Ų18168.6 Ų68.685%0.84640%0.399SS*.  trans-117.2140.7174.8-173-174.5-1.500109.8
70G94.9Very high96.8Very high19 Ų1970.2 Ų70.220%0.19641%0.411CS..  trans-159.7139.1173.700000111.9T74 K76G70-T74 WeakPolarHBondContact CA-OG1 3.49Å; G70-K76 WeakPolarHBondContact O-CD 3.42Å; G70-K76 WeakPolarHBondContact O-CE 3.48Å; G70-K76 PolarHBondContact O-NZ 3.21Å
71P96.1Very high96.9Very high89 Ų8971.3 Ų71.358%0.57842%0.422SS*.  trans-54.7169.2171.3-2631.6000114T74 K76P71-T74 HydrophobicContact CB-CG2 3.94Å; P71-T74 HydrophobicContact CG-CG2 4.16Å; P71-T74 PolarHBondContact O-N 3.14Å; P71-T74 PolarHBondContact O-OG1 3.39Å; P71-K76 PolarHBondContact O-NZ 3.08Å
72P97.1Very high97Very high127 Ų12771.1 Ų71.183%0.82542%0.421SS*.THydrogen-bonded Turntrans-52.3142169.4-24.635.3000111.5T74P72-T74 VanDerWaalsContact C-N 3.28Å; P72-T74 PolarHBondContact O-N 3.09Å
73G95.6Very high97Very high87 Ų8769.2 Ų69.290%0.89741%0.412SS*.THydrogen-bonded Turntrans77.4-4.4179.200000116.7G75G73-G75 PolarHBondContact O-N 3.18Å; G73-G75 VanDerWaalsContact O-N 3.13Å
74T96.3Very high97.1Very high57 Ų5768.6 Ų68.635%0.3542%0.42SS..SBendtrans-80.513.6-176.457.60000115.9Q53 G70 P71 P72 K76Q53-T74 PolarHBondContact NE2-O 3.2Å; G70-T74 WeakPolarHBondContact CA-OG1 3.49Å; P71-T74 HydrophobicContact CB-CG2 3.94Å; P71-T74 HydrophobicContact CG-CG2 4.16Å; P71-T74 PolarHBondContact O-N 3.14Å; P71-T74 PolarHBondContact O-OG1 3.39Å; P72-T74 VanDerWaalsContact C-N 3.28Å; P72-T74 PolarHBondContact O-N 3.09Å; T74-K76 PolarHBondContact O-N 2.92Å
75G97Very high97.1Very high23 Ų2370.4 Ų70.424%0.23742%0.423CS..  trans70.927.9174.800000115G73 T77 V78 T79G73-G75 PolarHBondContact O-N 3.18Å; G73-G75 VanDerWaalsContact O-N 3.13Å; G75-T77 VanDerWaalsContact C-N 3.3Å; G75-T77 PolarHBondContact O-N 3.43Å; G75-V78 PolarHBondContact O-N 3.38Å; G75-T79 WeakPolarHBondContact O-CB 3.4Å; G75-T79 PolarHBondContact O-N 3.45Å; G75-T79 PolarHBondContact O-OG1 3.4Å
76K97.4Very high97.1Very high82 Ų8267.2 Ų67.236%0.35741%0.406SS..Hα-helixtrans-50.5-48.8174.6-69.5-172.6-65.6-69.70112G70 P71 T74 V78 T79 S80G70-K76 WeakPolarHBondContact O-CD 3.42Å; G70-K76 WeakPolarHBondContact O-CE 3.48Å; G70-K76 PolarHBondContact O-NZ 3.21Å; P71-K76 PolarHBondContact O-NZ 3.08Å; T74-K76 PolarHBondContact O-N 2.92Å; K76-V78 PolarHBondContact O-N 3.46Å; K76-T79 WeakPolarHBondContact O-CB 3.27Å; K76-T79 PolarHBondContact O-N 2.74Å; K76-S80 WeakPolarHBondContact O-CB 3.35Å; K76-S80 PolarHBondContact O-N 2.82Å; K76-S80 PolarHBondContact O-OG 2.98Å; K76-S80 VanDerWaalsContact O-OG 3.08Å
77T97.7Very high97Very high117 Ų11768.2 Ų68.272%0.71841%0.412SS*.Hα-helixtrans-62.7-42.8179.8-48.40000112.6G75 T79 S80 A81G75-T77 VanDerWaalsContact C-N 3.3Å; G75-T77 PolarHBondContact O-N 3.43Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.78Å; T77-S80 PolarHBondContact O-N 2.82Å; T77-A81 WeakPolarHBondContact O-CB 3.29Å; T77-A81 PolarHBondContact O-N 3.22Å
78V98.3Very high96.9Very high39 Ų3964.2 Ų64.224%0.23640%0.402CS..Hα-helixtrans-63.5-41.7176.2175.30000110.8L46 P47 L49 G75 K76 A81 T82L46-V78 HydrophobicContact CB-CG1 4.41Å; P47-V78 HydrophobicContact CG-CG1 4.49Å; P47-V78 HydrophobicContact CG-CG2 4.49Å; L49-V78 HydrophobicContact CD2-CG1 3.93Å; G75-V78 PolarHBondContact O-N 3.38Å; K76-V78 PolarHBondContact O-N 3.46Å; V78-A81 PolarHBondContact O-N 2.93Å; V78-T82 WeakPolarHBondContact O-CB 3.34Å; V78-T82 PolarHBondContact O-N 3.01Å; V78-T82 PolarHBondContact O-OG1 3.49Å
79T98.3Very high96.6Very high5 Ų569.5 Ų69.53%0.03142%0.418CS..Hα-helixtrans-64.1-47.3177.1-51.40000110.8Q53 A56 V57 G75 K76 T77 T82 I83Q53-T79 HydrophobicContact CB-CG2 4.44Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.36Å; A56-T79 HydrophobicContact CB-CG2 4.06Å; V57-T79 HydrophobicContact CG2-CG2 4.08Å; G75-T79 WeakPolarHBondContact O-CB 3.4Å; G75-T79 PolarHBondContact O-N 3.45Å; G75-T79 PolarHBondContact O-OG1 3.4Å; K76-T79 WeakPolarHBondContact O-CB 3.27Å; K76-T79 PolarHBondContact O-N 2.74Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.78Å; T79-T82 WeakPolarHBondContact O-CB 3.38Å; T79-T82 PolarHBondContact O-N 3.48Å; T79-I83 HydrophobicContact CG2-CD1 4.27Å; T79-I83 WeakPolarHBondContact O-CG1 3.43Å; T79-I83 PolarHBondContact O-N 2.8Å
80S98.3Very high96.1Very high60 Ų6063.5 Ų63.542%0.4239%0.39SS..Hα-helixtrans-61.7-44.3176.4-640000112.5K76 T77 T82 I83 V84K76-S80 WeakPolarHBondContact O-CB 3.35Å; K76-S80 PolarHBondContact O-N 2.82Å; K76-S80 PolarHBondContact O-OG 2.98Å; K76-S80 VanDerWaalsContact O-OG 3.08Å; T77-S80 PolarHBondContact O-N 2.82Å; S80-T82 VanDerWaalsContact C-N 3.27Å; S80-T82 PolarHBondContact O-N 3.23Å; S80-I83 WeakPolarHBondContact O-CB 3.32Å; S80-I83 PolarHBondContact O-N 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.47Å; S80-V84 PolarHBondContact O-N 2.89Å
81A98.3Very high94.7Very high42 Ų4265.6 Ų65.635%0.34741%0.411SS..Hα-helixtrans-62.2-37.7176.200000111.6L46 T77 V78 V84 Y85L46-A81 HydrophobicContact CD1-CB 3.64Å; T77-A81 WeakPolarHBondContact O-CB 3.29Å; T77-A81 PolarHBondContact O-N 3.22Å; V78-A81 PolarHBondContact O-N 2.93Å; A81-V84 PolarHBondContact O-N 2.98Å; A81-Y85 WeakPolarHBondContact O-CB 3.46Å; A81-Y85 PolarHBondContact O-N 3.48Å
82T98.3Very high93.1Very high0 Ų068.3 Ų68.30%042%0.421CS..Hα-helixtrans-67-39.7175.2-56.40000112.4F41 A43 L46 L49 V57 V78 T79 S80 Y85 H86F41-T82 WeakPolarHBondContact O-CG2 3.34Å; A43-T82 HydrophobicContact CB-CG2 4.07Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.45Å; L49-T82 HydrophobicContact CD1-CG2 3.83Å; V57-T82 HydrophobicContact CG1-CG2 4.35Å; V57-T82 HydrophobicContact CG2-CG2 4.02Å; V78-T82 WeakPolarHBondContact O-CB 3.34Å; V78-T82 PolarHBondContact O-N 3.01Å; V78-T82 PolarHBondContact O-OG1 3.49Å; T79-T82 WeakPolarHBondContact O-CB 3.38Å; T79-T82 PolarHBondContact O-N 3.48Å; S80-T82 VanDerWaalsContact C-N 3.27Å; S80-T82 PolarHBondContact O-N 3.23Å; T82-Y85 WeakPolarHBondContact O-CB 3.48Å; T82-Y85 PolarHBondContact O-N 2.94Å; T82-H86 PolarHBondContact O-CD2 3.37Å; T82-H86 PolarHBondContact O-N 3.47Å; T82-H86 VanDerWaalsContact O-N 3.14Å
83I97.6Very high90.6Very high15 Ų1569.2 Ų69.28%0.07745%0.453CS..Hα-helixtrans-59-52.5173.4-72.1162.2000110.3V57 V60 I68 T79 S80 Y85 H86 L87V57-I83 HydrophobicContact CB-CG1 4.42Å; V57-I83 HydrophobicContact CG1-CG1 4.4Å; V57-I83 HydrophobicContact CG2-CG1 4.04Å; V60-I83 HydrophobicContact CB-CD1 4.12Å; V60-I83 HydrophobicContact CB-CG1 4.24Å; V60-I83 HydrophobicContact CB-CG2 4.48Å; V60-I83 HydrophobicContact CG1-CD1 4.11Å; V60-I83 HydrophobicContact CG1-CG1 4.18Å; V60-I83 HydrophobicContact CG1-CG2 3.55Å; V60-I83 HydrophobicContact CG2-CD1 3.64Å; V60-I83 HydrophobicContact CG2-CG1 4.28Å; I68-I83 HydrophobicContact CD1-CD1 3.5Å; T79-I83 HydrophobicContact CG2-CD1 4.27Å; T79-I83 WeakPolarHBondContact O-CG1 3.43Å; T79-I83 PolarHBondContact O-N 2.8Å; S80-I83 WeakPolarHBondContact O-CB 3.32Å; S80-I83 PolarHBondContact O-N 3.23Å; I83-Y85 VanDerWaalsContact C-N 3.29Å; I83-Y85 PolarHBondContact O-N 2.86Å; I83-H86 PolarHBondContact O-N 3.08Å; I83-L87 HydrophobicContact CG2-CD1 3.75Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 WeakPolarHBondContact O-CG 3.47Å; I83-L87 PolarHBondContact O-N 3.39Å
84V97.1Very high90.4Very high95 Ų9568.3 Ų68.358%0.57643%0.431SS*.Hα-helixtrans-60.1-42-179.7173.30000110.9S80 A81 H86 L87 A88S80-V84 WeakPolarHBondContact O-CG2 3.47Å; S80-V84 PolarHBondContact O-N 2.89Å; A81-V84 PolarHBondContact O-N 2.98Å; V84-H86 VanDerWaalsContact C-N 3.34Å; V84-H86 PolarHBondContact O-N 3.2Å; V84-L87 PolarHBondContact O-N 3.47Å; V84-A88 WeakPolarHBondContact O-CB 3.43Å; V84-A88 PolarHBondContact O-N 3.13Å
85Y97.1Very high90Very high71 Ų7168.9 Ų68.928%0.27844%0.435SS..Hα-helixtrans-55.1-46.5175.6173.8-91.8000112.5A43 A81 T82 I83 R89A43-Y85 HydrophobicContact CB-CD1 3.51Å; A43-Y85 HydrophobicContact CB-CD2 4.07Å; A43-Y85 HydrophobicContact CB-CE1 4.02Å; A43-Y85 HydrophobicContact CB-CG 3.54Å; A81-Y85 WeakPolarHBondContact O-CB 3.46Å; A81-Y85 PolarHBondContact O-N 3.48Å; T82-Y85 WeakPolarHBondContact O-CB 3.48Å; T82-Y85 PolarHBondContact O-N 2.94Å; I83-Y85 VanDerWaalsContact C-N 3.29Å; I83-Y85 PolarHBondContact O-N 2.86Å; Y85-R89 VanDerWaalsContact CE1-CD 3.49Å; Y85-R89 VanDerWaalsContact CZ-CD 3.43Å; Y85-R89 WeakPolarHBondContact O-CD 3.45Å; Y85-R89 VanDerWaalsContact O-CG 3.29Å; Y85-R89 WeakPolarHBondContact O-CG 3.34Å; Y85-R89 PolarHBondContact O-N 2.65Å
86H96.4Very high89.7Confident13 Ų1371.4 Ų71.46%0.0645%0.446CS..Hα-helixtrans-72.6-40.8179.5-70.3-57000112.5F41 L61 T82 I83 V84 A88 R89 Q90F41-H86 PolarHBondContact O-NE2 2.93Å; L61-H86 HydrophobicContact CD1-CB 4.05Å; L61-H86 HydrophobicContact CD2-CB 3.99Å; T82-H86 PolarHBondContact O-CD2 3.37Å; T82-H86 PolarHBondContact O-N 3.47Å; T82-H86 VanDerWaalsContact O-N 3.14Å; I83-H86 PolarHBondContact O-N 3.08Å; V84-H86 VanDerWaalsContact C-N 3.34Å; V84-H86 PolarHBondContact O-N 3.2Å; H86-A88 PolarHBondContact O-N 3.34Å; H86-R89 PolarHBondContact O-N 3.17Å; H86-R89 VanDerWaalsContact O-N 3.17Å; H86-Q90 WeakPolarHBondContact O-CG 3.49Å; H86-Q90 PolarHBondContact O-N 3.04Å
87L94.6Very high89.2Confident82 Ų8270.8 Ų70.843%0.42945%0.452SS..Hα-helixtrans-60.5-44.8177-71.8173.9000111.8L61 I83 V84 R89 Q90L61-L87 HydrophobicContact CD2-CD2 3.76Å; L61-L87 HydrophobicContact CD2-CG 4.03Å; I83-L87 HydrophobicContact CG2-CD1 3.75Å; I83-L87 HydrophobicContact CG2-CG 4.33Å; I83-L87 WeakPolarHBondContact O-CG 3.47Å; I83-L87 PolarHBondContact O-N 3.39Å; V84-L87 PolarHBondContact O-N 3.47Å; L87-R89 PolarHBondContact O-N 3.35Å; L87-Q90 PolarHBondContact O-N 2.75Å; L87-Q90 VanDerWaalsContact O-N 3.13Å
88A94.1Very high88.7Confident79 Ų7967.9 Ų67.965%0.65344%0.435SS*.Hα-helixtrans-60.8-27.8177.900000112.9V84 H86V84-A88 WeakPolarHBondContact O-CB 3.43Å; V84-A88 PolarHBondContact O-N 3.13Å; H86-A88 PolarHBondContact O-N 3.34Å
89R92.1Very high88Confident176 Ų17669.9 Ų69.966%0.66445%0.448SS*.Hα-helixtrans-89.3-9.3-179.7-68.4174.563.277.54.1114.1Y85 H86 L87 G91Y85-R89 VanDerWaalsContact CE1-CD 3.49Å; Y85-R89 VanDerWaalsContact CZ-CD 3.43Å; Y85-R89 WeakPolarHBondContact O-CD 3.45Å; Y85-R89 VanDerWaalsContact O-CG 3.29Å; Y85-R89 WeakPolarHBondContact O-CG 3.34Å; Y85-R89 PolarHBondContact O-N 2.65Å; H86-R89 PolarHBondContact O-N 3.17Å; H86-R89 VanDerWaalsContact O-N 3.17Å; L87-R89 PolarHBondContact O-N 3.35Å; R89-G91 VanDerWaalsContact C-N 3.27Å
90Q85.8Confident87.3Confident55 Ų5574.5 Ų74.526%0.25748%0.478SS..SBendtrans-77.6-13.1175-74.2-179.42.200112.8H86 L87 N92H86-Q90 WeakPolarHBondContact O-CG 3.49Å; H86-Q90 PolarHBondContact O-N 3.04Å; L87-Q90 PolarHBondContact O-N 2.75Å; L87-Q90 VanDerWaalsContact O-N 3.13Å; Q90-N92 VanDerWaalsContact C-N 3.25Å; Q90-N92 PolarHBondContact O-N 3.27Å
91G65.9Low86.4Confident63 Ų6375.6 Ų75.665%0.64948%0.482SS*.  trans69.416.5170.900000115.3R89 G93R89-G91 VanDerWaalsContact C-N 3.27Å; G91-G93 VanDerWaalsContact C-N 3.28Å; G91-G93 PolarHBondContact O-N 3.48Å
92N61.5Low85.5Confident147 Ų14778.4 Ų78.479%0.78649%0.494SS*.  trans-93.328.9177.5-67.5-22.3000112.7Q90Q90-N92 VanDerWaalsContact C-N 3.25Å; Q90-N92 PolarHBondContact O-N 3.27Å
93G45.2Very low84.3Confident145 Ų14585.5 Ų85.5100%1.49554%0.539SS*.  trans-98.90177.400000111.7G91G91-G93 VanDerWaalsContact C-N 3.28Å; G91-G93 PolarHBondContact O-N 3.48Å

Retrieved 93 of 93 residues in 54.6 ms (Link to these results)

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