A0A059XBJ1_HUMAN Loading...

UPF1

AlphaFold DB , UniProt , Accession A0A059XBJ1, Species HUMAN (Homo sapiens, Human), Gene UPF1, Length 93 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
1M87.1Confident95.3Very high204 Ų204105.3 Ų105.3100%1.00559%0.588SS**  0-51.50-74-168.8-8200113S3 A4 L5M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.14Å; M1-A4 PolarHBondContact O-N 3.26Å; M1-L5 PolarHBondContact O-N 3.46Å
2Q95.8Very high95Very high171 Ų171112.5 Ų112.580%0.79961%0.614SS**Hα-helixtrans-53.1-42.9-178.1-70.8-176.2-10.300114.5A4 L5 K6Q2-A4 PolarHBondContact O-N 3.34Å; Q2-L5 PolarHBondContact O-N 3.32Å; Q2-K6 PolarHBondContact O-N 3.47Å
3S96.4Very high94.9Very high94 Ų94113.2 Ų113.266%0.65762%0.624SS**Hα-helixtrans-59.6-44.3176-168.70000112.6M1 K6 T7M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.14Å; S3-K6 PolarHBondContact O-N 3.03Å; S3-T7 PolarHBondContact O-N 3.26Å; S3-T7 PolarHBondContact O-OG1 3.38Å; S3-T7 VanDerWaalsContact O-OG1 3.1Å
4A96.4Very high95Very high66 Ų66108.1 Ų108.155%0.54560%0.6SS.*Hα-helixtrans-67.4-38-18000000111.8M1 Q2 T7 F8M1-A4 PolarHBondContact O-N 3.26Å; Q2-A4 PolarHBondContact O-N 3.34Å; A4-T7 PolarHBondContact O-N 2.92Å; A4-F8 WeakPolarHBondContact O-CB 3.38Å; A4-F8 PolarHBondContact O-N 3.15Å
5L97.1Very high95.1Very high117 Ų117104.3 Ų104.361%0.61358%0.58SS**Hα-helixtrans-65.2-39.6174.1-68.5174.5000111.7M1 Q2 F8 A9M1-L5 PolarHBondContact O-N 3.46Å; Q2-L5 PolarHBondContact O-N 3.32Å; L5-F8 PolarHBondContact O-N 3.08Å; L5-A9 VanDerWaalsContact O-CB 3.27Å; L5-A9 WeakPolarHBondContact O-CB 3.3Å; L5-A9 PolarHBondContact O-N 3.17Å
6K97.1Very high95.1Very high148 Ų148101.9 Ų101.964%0.64357%0.573SS**Hα-helixtrans-64.6-45174.2-172.1178.1-179.9-179.20111.2Q2 S3 A9 V10Q2-K6 PolarHBondContact O-N 3.47Å; S3-K6 PolarHBondContact O-N 3.03Å; K6-A9 PolarHBondContact O-N 3.34Å; K6-V10 HydrophobicContact CG-CG2 4.08Å; K6-V10 WeakPolarHBondContact O-CB 3.39Å; K6-V10 WeakPolarHBondContact O-CG2 3.31Å; K6-V10 PolarHBondContact O-N 3.43Å
7T97.1Very high95.1Very high64 Ų6498.6 Ų98.639%0.39357%0.567SS.*Hα-helixtrans-59.4-49.3174.9-60.20000110.9S3 A4 A9 V10 D11S3-T7 PolarHBondContact O-N 3.26Å; S3-T7 PolarHBondContact O-OG1 3.38Å; S3-T7 VanDerWaalsContact O-OG1 3.1Å; A4-T7 PolarHBondContact O-N 2.92Å; T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 3.24Å; T7-V10 PolarHBondContact O-N 3.32Å; T7-D11 HydrophobicContact CG2-CB 4.19Å; T7-D11 WeakPolarHBondContact O-CB 3.42Å; T7-D11 PolarHBondContact O-N 3.32Å
8F97.1Very high95.1Very high47 Ų4795.1 Ų95.121%0.20654%0.544CS..Hα-helixtrans-59.1-34.9177.5179.8-106.4000113.6A4 L5 V15 Y20 L23 L24A4-F8 WeakPolarHBondContact O-CB 3.38Å; A4-F8 PolarHBondContact O-N 3.15Å; L5-F8 PolarHBondContact O-N 3.08Å; F8-V15 HydrophobicContact CD2-CG1 4.48Å; F8-V15 HydrophobicContact CD2-CG2 4.04Å; F8-V15 HydrophobicContact CE2-CG2 3.81Å; F8-Y20 HydrophobicContact CD2-CD2 4.3Å; F8-Y20 HydrophobicContact CE1-CD2 4.27Å; F8-Y20 HydrophobicContact CE1-CE2 4.19Å; F8-Y20 AromaticContact CE2-CD2 3.65Å; F8-Y20 HydrophobicContact CE2-CD2 3.65Å; F8-Y20 HydrophobicContact CE2-CE2 4.31Å; F8-Y20 AromaticContact CZ-CD2 3.62Å; F8-Y20 HydrophobicContact CZ-CD2 3.62Å; F8-Y20 AromaticContact CZ-CE2 4Å; F8-Y20 HydrophobicContact CZ-CE2 4Å; F8-Y20 HydrophobicContact CZ-CG 4.42Å; F8-L23 HydrophobicContact CE2-CD1 4.03Å; F8-L23 HydrophobicContact CZ-CB 4.19Å; F8-L23 HydrophobicContact CZ-CD1 4.25Å; F8-L24 HydrophobicContact CE1-CD2 4.13Å
9A94.4Very high95.2Very high70 Ų7091.7 Ų91.758%0.57952%0.523SS*.Hα-helixtrans-83.4-28.1-177.500000114.4L5 K6 T7L5-A9 VanDerWaalsContact O-CB 3.27Å; L5-A9 WeakPolarHBondContact O-CB 3.3Å; L5-A9 PolarHBondContact O-N 3.17Å; K6-A9 PolarHBondContact O-N 3.34Å; T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 3.24Å
10V94.5Very high95.3Very high110 Ų11091.3 Ų91.367%0.66751%0.513SS*.Hα-helixtrans-116.5-26.6-168.1-1620000113K6 T7K6-V10 HydrophobicContact CG-CG2 4.08Å; K6-V10 WeakPolarHBondContact O-CB 3.39Å; K6-V10 WeakPolarHBondContact O-CG2 3.31Å; K6-V10 PolarHBondContact O-N 3.43Å; T7-V10 PolarHBondContact O-N 3.32Å
11D95.5Very high95.3Very high67 Ų6790.7 Ų90.736%0.35851%0.506SS..  trans-98.7104.1178.2178.84.4000110.4T7 T13 S14T7-D11 HydrophobicContact CG2-CB 4.19Å; T7-D11 WeakPolarHBondContact O-CB 3.42Å; T7-D11 PolarHBondContact O-N 3.32Å; D11-T13 PolarHBondContact O-N 3.34Å; D11-T13 VanDerWaalsContact O-N 3.13Å; D11-T13 WeakPolarHBondContact OD1-CA 3.45Å; D11-T13 WeakPolarHBondContact OD1-CB 3.44Å; D11-T13 PolarHBondContact OD1-N 3.37Å; D11-T13 PolarHBondContact OD1-OG1 2.94Å; D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.41Å; D11-S14 PolarHBondContact O-N 3.39Å; D11-S14 VanDerWaalsContact O-N 3.11Å; D11-S14 PolarHBondContact O-OG 3.45Å
12E91.3Very high95.8Very high192 Ų19284.6 Ų84.690%0.89747%0.474SS*.THydrogen-bonded Turntrans-63.3-14.2179.1-62.6-177.2176.700113.3
13T94.4Very high95.8Very high122 Ų12281.5 Ų81.575%0.74846%0.463SS*.THydrogen-bonded Turntrans-97-3.817871.30000113.8D11 V15D11-T13 PolarHBondContact O-N 3.34Å; D11-T13 VanDerWaalsContact O-N 3.13Å; D11-T13 WeakPolarHBondContact OD1-CA 3.45Å; D11-T13 WeakPolarHBondContact OD1-CB 3.44Å; D11-T13 PolarHBondContact OD1-N 3.37Å; D11-T13 PolarHBondContact OD1-OG1 2.94Å; T13-V15 VanDerWaalsContact C-N 3.31Å; T13-V15 PolarHBondContact O-N 2.92Å
14S95.9Very high95.8Very high42 Ų4280.9 Ų80.929%0.29445%0.451SS..SBendtrans-65-30.1-174.462.90000114.5D11D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.41Å; D11-S14 PolarHBondContact O-N 3.39Å; D11-S14 VanDerWaalsContact O-N 3.11Å; D11-S14 PolarHBondContact O-OG 3.45Å
15V96Very high95.8Very high50 Ų5080.9 Ų80.930%0.30346%0.458SS..SBendtrans-145.8163.7174.3-65.30000109.9F8 T13 I19 Y20F8-V15 HydrophobicContact CD2-CG1 4.48Å; F8-V15 HydrophobicContact CD2-CG2 4.04Å; F8-V15 HydrophobicContact CE2-CG2 3.81Å; T13-V15 VanDerWaalsContact C-N 3.31Å; T13-V15 PolarHBondContact O-N 2.92Å; V15-I19 HydrophobicContact CB-CB 4.35Å; V15-I19 HydrophobicContact CB-CG2 4.19Å; V15-I19 HydrophobicContact CG1-CG2 4.36Å; V15-I19 HydrophobicContact CG2-CG2 4.48Å; V15-Y20 HydrophobicContact CG2-CD2 4.36Å
16S95.3Very high95.8Very high66 Ų6680 Ų8046%0.46245%0.451SS..  trans-66.3150.9171.971.10000111.6Y18 I19 Y20S16-Y18 PolarHBondContact O-N 3.16Å; S16-I19 PolarHBondContact O-N 3.39Å; S16-I19 WeakPolarHBondContact OG-CG1 3.35Å; S16-I19 PolarHBondContact OG-N 3.11Å; S16-Y20 PolarHBondContact O-N 3.01Å
17G95Very high95.8Very high46 Ų4682.5 Ų82.547%0.47447%0.465SS..Hα-helixtrans-57-34.3178.500000113.5Y20 H21G17-Y20 PolarHBondContact O-N 3.23Å; G17-H21 PolarHBondContact O-CD2 2.99Å; G17-H21 VanDerWaalsContact O-CD2 3.23Å; G17-H21 PolarHBondContact O-N 3.32Å; G17-H21 VanDerWaalsContact O-N 3.08Å
18Y96.1Very high95.7Very high36 Ų3681.3 Ų81.314%0.14146%0.457CS..Hα-helixtrans-58.3-50.5172.9178.9-85.1000111.4S16 K22 V28 E29 V31 P64 L65S16-Y18 PolarHBondContact O-N 3.16Å; Y18-K22 HydrophobicContact CE1-CB 4.43Å; Y18-K22 HydrophobicContact CE1-CG 4.45Å; Y18-K22 VanDerWaalsContact O-CB 3.22Å; Y18-K22 WeakPolarHBondContact O-CB 3.36Å; Y18-K22 PolarHBondContact O-N 3.2Å; Y18-V28 HydrophobicContact CD2-CG1 3.56Å; Y18-V28 HydrophobicContact CE2-CB 4.47Å; Y18-V28 HydrophobicContact CE2-CG1 3.82Å; Y18-V28 HydrophobicContact CG-CG1 4.43Å; Y18-E29 VanDerWaalsContact CE2-O 3.32Å; Y18-E29 WeakPolarHBondContact CE2-O 3.48Å; Y18-V31 HydrophobicContact CD2-CB 4.22Å; Y18-V31 HydrophobicContact CD2-CG2 3.54Å; Y18-V31 HydrophobicContact CE2-CB 4.14Å; Y18-V31 HydrophobicContact CE2-CG2 3.75Å; Y18-V31 HydrophobicContact CG-CG2 4.47Å; Y18-P64 HydrophobicContact CD1-CB 3.98Å; Y18-P64 HydrophobicContact CD1-CG 3.54Å; Y18-P64 HydrophobicContact CD2-CG 4.46Å; Y18-P64 HydrophobicContact CE1-CB 4.17Å; Y18-P64 HydrophobicContact CE1-CG 3.38Å; Y18-P64 HydrophobicContact CE2-CG 4.3Å; Y18-P64 HydrophobicContact CG-CG 4.11Å; Y18-L65 HydrophobicContact CE1-CB 4.19Å
19I96.6Very high95.6Very high31 Ų3187.5 Ų87.516%0.15949%0.487CS..Hα-helixtrans-67.3-42-178.5-64.4-65.7000110.7V15 S16 K22 L23 L65V15-I19 HydrophobicContact CB-CB 4.35Å; V15-I19 HydrophobicContact CB-CG2 4.19Å; V15-I19 HydrophobicContact CG1-CG2 4.36Å; V15-I19 HydrophobicContact CG2-CG2 4.48Å; S16-I19 PolarHBondContact O-N 3.39Å; S16-I19 WeakPolarHBondContact OG-CG1 3.35Å; S16-I19 PolarHBondContact OG-N 3.11Å; I19-K22 PolarHBondContact O-N 2.98Å; I19-L23 HydrophobicContact CG2-CD1 3.69Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.37Å; I19-L23 PolarHBondContact O-N 3.47Å; I19-L65 HydrophobicContact CD1-CB 3.78Å; I19-L65 HydrophobicContact CD1-CD1 4.3Å; I19-L65 HydrophobicContact CD1-CD2 4.4Å; I19-L65 HydrophobicContact CD1-CG 4.38Å
20Y96.6Very high95.5Very high82 Ų8289.5 Ų89.532%0.32249%0.488SS..Hα-helixtrans-54.2-57.3177.2-178-98.4000111.8F8 V15 S16 G17 K22 L23 L24F8-Y20 HydrophobicContact CD2-CD2 4.3Å; F8-Y20 HydrophobicContact CE1-CD2 4.27Å; F8-Y20 HydrophobicContact CE1-CE2 4.19Å; F8-Y20 AromaticContact CE2-CD2 3.65Å; F8-Y20 HydrophobicContact CE2-CD2 3.65Å; F8-Y20 HydrophobicContact CE2-CE2 4.31Å; F8-Y20 AromaticContact CZ-CD2 3.62Å; F8-Y20 HydrophobicContact CZ-CD2 3.62Å; F8-Y20 AromaticContact CZ-CE2 4Å; F8-Y20 HydrophobicContact CZ-CE2 4Å; F8-Y20 HydrophobicContact CZ-CG 4.42Å; V15-Y20 HydrophobicContact CG2-CD2 4.36Å; S16-Y20 PolarHBondContact O-N 3.01Å; G17-Y20 PolarHBondContact O-N 3.23Å; Y20-K22 PolarHBondContact O-N 3.33Å; Y20-L23 PolarHBondContact O-N 3.44Å; Y20-L24 HydrophobicContact CD1-CD1 4.05Å; Y20-L24 HydrophobicContact CE1-CD1 3.45Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.45Å; Y20-L24 HydrophobicContact CE2-CD1 4.24Å; Y20-L24 WeakPolarHBondContact O-CG 3.38Å; Y20-L24 PolarHBondContact O-N 3.48Å; Y20-L24 VanDerWaalsContact O-N 3.15Å
21H96.3Very high95.4Very high79 Ų7987.5 Ų87.537%0.36648%0.476SS..Hα-helixtrans-68.4-36.4-177.8-71.9-54.6000112.9G17 L23 L24 G25 H26 V28G17-H21 PolarHBondContact O-CD2 2.99Å; G17-H21 VanDerWaalsContact O-CD2 3.23Å; G17-H21 PolarHBondContact O-N 3.32Å; G17-H21 VanDerWaalsContact O-N 3.08Å; H21-L23 VanDerWaalsContact C-N 3.35Å; H21-L23 PolarHBondContact O-N 2.92Å; H21-L24 PolarHBondContact O-N 3.43Å; H21-G25 PolarHBondContact O-N 3.31Å; H21-H26 HydrophobicContact CB-CB 4.14Å; H21-H26 AromaticContact CE1-ND1 3.96Å; H21-H26 AromaticContact CG-ND1 3.98Å; H21-H26 AromaticContact ND1-CE1 3.75Å; H21-H26 AromaticContact ND1-ND1 3.11Å; H21-H26 PolarHBondContact ND1-ND1 3.43Å; H21-H26 VanDerWaalsContact ND1-ND1 3.11Å; H21-H26 PolarHBondContact O-N 3.26Å; H21-V28 HydrophobicContact CB-CG2 3.49Å; H21-V28 VanDerWaalsContact CB-CG2 3.49Å
22K96.3Very high95.4Very high76 Ų7690.1 Ų90.133%0.3349%0.488SS..Hα-helixtrans-65.6-38.1177.3-15869.6166.7-170.90111.8Y18 I19 Y20 G25 V28 D30 L65Y18-K22 HydrophobicContact CE1-CB 4.43Å; Y18-K22 HydrophobicContact CE1-CG 4.45Å; Y18-K22 VanDerWaalsContact O-CB 3.22Å; Y18-K22 WeakPolarHBondContact O-CB 3.36Å; Y18-K22 PolarHBondContact O-N 3.2Å; I19-K22 PolarHBondContact O-N 2.98Å; Y20-K22 PolarHBondContact O-N 3.33Å; K22-G25 PolarHBondContact O-N 2.76Å; K22-V28 HydrophobicContact CD-CB 4.34Å; K22-V28 HydrophobicContact CD-CG2 4.42Å; K22-D30 IonicContact NZ-OD1 3.79Å; K22-L65 HydrophobicContact CG-CD2 4.06Å
23L96Very high95.5Very high107 Ų10784.3 Ų84.356%0.5646%0.463SS*.Hα-helixtrans-70.1-30.3175.9-71.8177.2000113F8 I19 Y20 H21 G25F8-L23 HydrophobicContact CE2-CD1 4.03Å; F8-L23 HydrophobicContact CZ-CB 4.19Å; F8-L23 HydrophobicContact CZ-CD1 4.25Å; I19-L23 HydrophobicContact CG2-CD1 3.69Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.37Å; I19-L23 PolarHBondContact O-N 3.47Å; Y20-L23 PolarHBondContact O-N 3.44Å; H21-L23 VanDerWaalsContact C-N 3.35Å; H21-L23 PolarHBondContact O-N 2.92Å; L23-G25 PolarHBondContact O-N 2.87Å
24L96.4Very high95.4Very high80 Ų8088.1 Ų88.142%0.41947%0.469SS..THydrogen-bonded Turntrans-79.5-2174.2-66.6-176.8000114F8 Y20 H21 H26F8-L24 HydrophobicContact CE1-CD2 4.13Å; Y20-L24 HydrophobicContact CD1-CD1 4.05Å; Y20-L24 HydrophobicContact CE1-CD1 3.45Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.45Å; Y20-L24 HydrophobicContact CE2-CD1 4.24Å; Y20-L24 WeakPolarHBondContact O-CG 3.38Å; Y20-L24 PolarHBondContact O-N 3.48Å; Y20-L24 VanDerWaalsContact O-N 3.15Å; H21-L24 PolarHBondContact O-N 3.43Å; L24-H26 VanDerWaalsContact C-N 3.32Å
25G97.1Very high95.1Very high67 Ų6787.5 Ų87.569%0.69146%0.464SS*.THydrogen-bonded Turntrans77.215.5179.200000114.3H21 K22 L23H21-G25 PolarHBondContact O-N 3.31Å; K22-G25 PolarHBondContact O-N 2.76Å; L23-G25 PolarHBondContact O-N 2.87Å
26H97.6Very high94.9Very high97 Ų9793.8 Ų93.845%0.44949%0.49SS..  trans-71151.9171.9-61.1-176.9000110H21 L24 V28H21-H26 HydrophobicContact CB-CB 4.14Å; H21-H26 AromaticContact CE1-ND1 3.96Å; H21-H26 AromaticContact CG-ND1 3.98Å; H21-H26 AromaticContact ND1-CE1 3.75Å; H21-H26 AromaticContact ND1-ND1 3.11Å; H21-H26 PolarHBondContact ND1-ND1 3.43Å; H21-H26 VanDerWaalsContact ND1-ND1 3.11Å; H21-H26 PolarHBondContact O-N 3.26Å; L24-H26 VanDerWaalsContact C-N 3.32Å; H26-V28 PolarHBondContact O-N 2.88Å
27E96.3Very high94.8Very high202 Ų20293.5 Ų93.594%0.94448%0.483SS*.  trans-69.5123.7168.6-68.3-168166.900109.6
28V96.1Very high94.7Very high38 Ų3893 Ų9323%0.2347%0.471CS..  trans-133.5132.2178.8-169.50000107.3Y18 H21 K22 H26Y18-V28 HydrophobicContact CD2-CG1 3.56Å; Y18-V28 HydrophobicContact CE2-CB 4.47Å; Y18-V28 HydrophobicContact CE2-CG1 3.82Å; Y18-V28 HydrophobicContact CG-CG1 4.43Å; H21-V28 HydrophobicContact CB-CG2 3.49Å; H21-V28 VanDerWaalsContact CB-CG2 3.49Å; K22-V28 HydrophobicContact CD-CB 4.34Å; K22-V28 HydrophobicContact CD-CG2 4.42Å; H26-V28 PolarHBondContact O-N 2.88Å
29E94.8Very high94.4Very high177 Ų177101.6 Ų101.683%0.82751%0.51SS*.PPolyproline II helixtrans-58.6138.9175.6-65.5-174.2172.500111.2Y18 V31Y18-E29 VanDerWaalsContact CE2-O 3.32Å; Y18-E29 WeakPolarHBondContact CE2-O 3.48Å; E29-V31 PolarHBondContact O-N 3.47Å
30D91.1Very high94.3Very high112 Ų112109.6 Ų109.660%0.59954%0.538SS*.PPolyproline II helixtrans-68.3122.4179.3-81.1-19.2000111.3K22K22-D30 IonicContact NZ-OD1 3.79Å
31V93.6Very high94.2Very high68 Ų68107.2 Ų107.241%0.41253%0.529SS..PPolyproline II helixtrans-94.3131.4179.2177.60000110Y18 E29 P64Y18-V31 HydrophobicContact CD2-CB 4.22Å; Y18-V31 HydrophobicContact CD2-CG2 3.54Å; Y18-V31 HydrophobicContact CE2-CB 4.14Å; Y18-V31 HydrophobicContact CE2-CG2 3.75Å; Y18-V31 HydrophobicContact CG-CG2 4.47Å; E29-V31 PolarHBondContact O-N 3.47Å; V31-P64 HydrophobicContact CB-CG 4.2Å; V31-P64 WeakPolarHBondContact O-CD 3.44Å
32I94.6Very high94.1Very high122 Ų122106.4 Ų106.463%0.62653%0.53SS*.  trans-106117.1169.9-59.2178.6000108.9K34 Q62I32-K34 PolarHBondContact O-N 3.44Å; I32-Q62 CarbonylContact C-O 3.59Å; I32-Q62 WeakPolarHBondContact CA-O 3.34Å; I32-Q62 HydrophobicContact CG2-CB 4.36Å
33I93.1Very high94.1Very high71 Ų71103.2 Ų103.236%0.36452%0.518SS..  trans-74.8120.8173-57.8173.3000108.1C35 Q62 P64I33-C35 PolarHBondContact O-N 2.87Å; I33-Q62 PolarHBondContact N-O 3.32Å; I33-P64 HydrophobicContact CD1-CB 4.28Å
34K92.4Very high94Very high201 Ų201106.3 Ų106.387%0.87453%0.529SS*.  trans-74.4114.1172.9-66.6-178-178176.50108.6I32I32-K34 PolarHBondContact O-N 3.44Å
35C90.3Very high94Very high29 Ų29106.4 Ų106.420%0.19655%0.55CS..  trans-139.3158.1174.668.60000110.3I33 L37 L61I33-C35 PolarHBondContact O-N 2.87Å; C35-L37 PolarHBondContact O-N 3.25Å; C35-L61 PolarHBondContact SG-O 2.67Å
36Q91.5Very high94Very high183 Ų183106.1 Ų106.186%0.85553%0.532SS*.  trans-78.9109.4168.9-69-171.4-800108.9Q90Q36-Q90 PolarHBondContact O-NE2 3.28Å
37L93.4Very high93.9Very high60 Ų60105.5 Ų105.531%0.31454%0.536SS..  trans-69.8140.4176.1-69.7176.8000110.7C35 F41 K58 L61 Q62C35-L37 PolarHBondContact O-N 3.25Å; L37-F41 HydrophobicContact CB-CZ 4.41Å; L37-F41 HydrophobicContact CD2-CE1 4.42Å; L37-F41 HydrophobicContact CD2-CZ 4.45Å; L37-K58 HydrophobicContact CD1-CD 4.41Å; L37-K58 HydrophobicContact CD1-CG 4Å; L37-K58 HydrophobicContact CD2-CG 4.45Å; L37-L61 HydrophobicContact CD2-CB 4.09Å; L37-L61 HydrophobicContact CD2-CD1 4.18Å; L37-Q62 HydrophobicContact CD2-CG 3.98Å
38P92.4Very high93.9Very high34 Ų34102.3 Ų102.322%0.22153%0.526CS..  trans-68.3148.7176.931.9-36.7000110.5R40 F41 L61P38-R40 WeakPolarHBondContact CB-O 3.36Å; P38-R40 PolarHBondContact O-N 3.33Å; P38-F41 HydrophobicContact CG-CD1 3.66Å; P38-F41 HydrophobicContact CG-CE1 3.59Å; P38-F41 HydrophobicContact CG-CG 4.31Å; P38-F41 HydrophobicContact CG-CZ 4.15Å; P38-L61 HydrophobicContact CG-CD1 4.38Å
39K91.2Very high94Very high217 Ų217101.6 Ų101.694%0.94352%0.521SS*.SBendtrans-66.6-26.5174.5-65.6-176.4180-1800112.6
40R92.8Very high94.1Very high200 Ų20097 Ų9776%0.75550%0.502SS*.  trans-134.1132.5177-64.7-175.4-178.3-1770.2109P38 T42 H86P38-R40 WeakPolarHBondContact CB-O 3.36Å; P38-R40 PolarHBondContact O-N 3.33Å; R40-T42 PolarHBondContact O-N 2.78Å; R40-H86 PolarHBondContact O-CE1 2.78Å
41F95.3Very high94.4Very high32 Ų3299.5 Ų99.514%0.1451%0.509CS..  trans-9338.4179.6-65.5-85.7000111.7L37 P38 L49 V54 V57 K58 L61 T82 H86L37-F41 HydrophobicContact CB-CZ 4.41Å; L37-F41 HydrophobicContact CD2-CE1 4.42Å; L37-F41 HydrophobicContact CD2-CZ 4.45Å; P38-F41 HydrophobicContact CG-CD1 3.66Å; P38-F41 HydrophobicContact CG-CE1 3.59Å; P38-F41 HydrophobicContact CG-CG 4.31Å; P38-F41 HydrophobicContact CG-CZ 4.15Å; F41-L49 WeakPolarHBondContact O-CD1 3.36Å; F41-V54 HydrophobicContact CB-CG1 4.25Å; F41-V54 HydrophobicContact CB-CG2 4.41Å; F41-V54 HydrophobicContact CD2-CG1 3.7Å; F41-V54 HydrophobicContact CE2-CG1 4.34Å; F41-V54 HydrophobicContact CG-CG1 4.11Å; F41-V57 HydrophobicContact CD1-CB 4.13Å; F41-V57 HydrophobicContact CD1-CG1 3.63Å; F41-V57 HydrophobicContact CE1-CG1 4.35Å; F41-K58 HydrophobicContact CE1-CB 3.98Å; F41-K58 HydrophobicContact CE1-CG 4.47Å; F41-K58 HydrophobicContact CZ-CB 3.89Å; F41-K58 HydrophobicContact CZ-CD 4.49Å; F41-K58 HydrophobicContact CZ-CG 4.04Å; F41-L61 HydrophobicContact CD1-CD1 4.47Å; F41-L61 HydrophobicContact CE1-CD1 4.05Å; F41-T82 WeakPolarHBondContact O-CG2 3.32Å; F41-H86 WeakPolarHBondContact CA-NE2 3.24Å
42T94.4Very high94.6Very high62 Ų62100 Ų10038%0.3852%0.516SS..  trans-102.5149.5177.458.20000110.2R40R40-T42 PolarHBondContact O-N 2.78Å
43A96Very high94.8Very high9 Ų995.2 Ų95.27%0.07449%0.491CS..  trans-119.4139.9175.700000109.8G45 L46 T82 Y85A43-G45 PolarHBondContact O-N 3.35Å; A43-L46 HydrophobicContact CB-CB 4.26Å; A43-L46 HydrophobicContact CB-CD1 3.84Å; A43-L46 HydrophobicContact CB-CG 4.21Å; A43-L46 PolarHBondContact O-N 3.32Å; A43-T82 HydrophobicContact CB-CG2 4.05Å; A43-Y85 HydrophobicContact CB-CD1 3.54Å; A43-Y85 HydrophobicContact CB-CD2 4.21Å; A43-Y85 HydrophobicContact CB-CE1 4.1Å; A43-Y85 HydrophobicContact CB-CG 3.6Å
44Q94.4Very high95Very high171 Ų17193.9 Ų93.980%0.79949%0.486SS*.THydrogen-bonded Turntrans-61.9129.5-178.2-175177.75.400110.5L46Q44-L46 VanDerWaalsContact C-N 3.29Å; Q44-L46 PolarHBondContact O-N 3.28Å
45G95.6Very high95.3Very high82 Ų8291.4 Ų91.485%0.84547%0.472SS*.THydrogen-bonded Turntrans794.9179.700000115.1A43A43-G45 PolarHBondContact O-N 3.35Å
46L96.9Very high95.7Very high62 Ų6290.9 Ų90.933%0.32547%0.47SS..SBendtrans-109.9153.2174.2-63.5-173.2000111.8A43 Q44 A81A43-L46 HydrophobicContact CB-CB 4.26Å; A43-L46 HydrophobicContact CB-CD1 3.84Å; A43-L46 HydrophobicContact CB-CG 4.21Å; A43-L46 PolarHBondContact O-N 3.32Å; Q44-L46 VanDerWaalsContact C-N 3.29Å; Q44-L46 PolarHBondContact O-N 3.28Å; L46-A81 HydrophobicContact CD1-CB 3.53Å
47P96.7Very high95.9Very high83 Ų8382.2 Ų82.254%0.53943%0.43SS..PPolyproline II helixtrans-59155.3173.6-22.633.1000112.7V78P47-V78 HydrophobicContact CG-CG1 4.47Å
48D96.4Very high96.1Very high135 Ų13583.9 Ų83.972%0.72244%0.435SS*.PPolyproline II helixtrans-62.3143.6171.3-75.9-33.3000111.3
49L97.8Very high96.3Very high24 Ų2483.5 Ų83.513%0.12643%0.432CS..PPolyproline II helixtrans-89.3140.9-179.5-59.9-170000110.8F41 Q53 V54 V57 V78 T82F41-L49 WeakPolarHBondContact O-CD1 3.36Å; L49-Q53 HydrophobicContact CB-CB 3.94Å; L49-Q53 HydrophobicContact CD1-CB 4.31Å; L49-Q53 HydrophobicContact CD2-CB 4.18Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; L49-V54 HydrophobicContact CB-CG2 3.67Å; L49-V54 HydrophobicContact CD1-CG2 4.44Å; L49-V57 HydrophobicContact CD1-CG2 3.55Å; L49-V78 HydrophobicContact CD2-CG1 3.87Å; L49-T82 HydrophobicContact CD1-CG2 3.86Å
50N97.3Very high96.6Very high80 Ų8074.6 Ų74.643%0.42840%0.395SS..  trans-78.3176.3167.670.835.5000111.4S52 Q53 V54N50-S52 PolarHBondContact O-N 3.15Å; N50-S52 PolarHBondContact OD1-N 3.45Å; N50-S52 VanDerWaalsContact OD1-N 3.11Å; N50-S52 PolarHBondContact OD1-OG 3.04Å; N50-Q53 PolarHBondContact O-N 3.1Å; N50-Q53 VanDerWaalsContact OD1-CG 3.31Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.41Å; N50-Q53 PolarHBondContact OD1-N 3.29Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 2.92Å
51H97.4Very high96.7Very high164 Ų16465.3 Ų65.376%0.75936%0.36SS*.Hα-helixtrans-57.9-43.1-175.6-172.178.3000114V54 Y55H51-V54 PolarHBondContact O-N 3.32Å; H51-Y55 WeakPolarHBondContact O-CB 3.42Å; H51-Y55 PolarHBondContact O-N 3.41Å
52S97.8Very high96.7Very high78 Ų7866.2 Ų66.255%0.54537%0.365SS..Hα-helixtrans-70.7-34.9-178.261.60000112.1N50 Y55 A56N50-S52 PolarHBondContact O-N 3.15Å; N50-S52 PolarHBondContact OD1-N 3.45Å; N50-S52 VanDerWaalsContact OD1-N 3.11Å; N50-S52 PolarHBondContact OD1-OG 3.04Å; S52-Y55 PolarHBondContact O-N 3.14Å; S52-A56 PolarHBondContact O-N 3.01Å
53Q98.3Very high96.8Very high23 Ų2369 Ų6911%0.10737%0.369CS..Hα-helixtrans-69.1-43.7174.6-64.8167.9-19.300111.2L49 N50 Y55 A56 V57 T74 T79L49-Q53 HydrophobicContact CB-CB 3.94Å; L49-Q53 HydrophobicContact CD1-CB 4.31Å; L49-Q53 HydrophobicContact CD2-CB 4.18Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; N50-Q53 PolarHBondContact O-N 3.1Å; N50-Q53 VanDerWaalsContact OD1-CG 3.31Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.41Å; N50-Q53 PolarHBondContact OD1-N 3.29Å; Q53-Y55 VanDerWaalsContact C-N 3.3Å; Q53-Y55 PolarHBondContact O-N 2.97Å; Q53-A56 WeakPolarHBondContact O-CB 3.43Å; Q53-A56 PolarHBondContact O-N 3.34Å; Q53-A56 VanDerWaalsContact O-N 3.14Å; Q53-V57 WeakPolarHBondContact O-CG2 3.48Å; Q53-V57 PolarHBondContact O-N 2.94Å; Q53-T74 PolarHBondContact NE2-O 3.34Å; Q53-T79 HydrophobicContact CB-CG2 4.36Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.29Å
54V97.9Very high96.7Very high43 Ų4370.8 Ų70.826%0.26138%0.38SS..Hα-helixtrans-58.3-43.8173.3171.20000111F41 L49 N50 H51 A56 V57 K58F41-V54 HydrophobicContact CB-CG1 4.25Å; F41-V54 HydrophobicContact CB-CG2 4.41Å; F41-V54 HydrophobicContact CD2-CG1 3.7Å; F41-V54 HydrophobicContact CE2-CG1 4.34Å; F41-V54 HydrophobicContact CG-CG1 4.11Å; L49-V54 HydrophobicContact CB-CG2 3.67Å; L49-V54 HydrophobicContact CD1-CG2 4.44Å; N50-V54 WeakPolarHBondContact O-CG2 3.38Å; N50-V54 PolarHBondContact O-N 2.92Å; H51-V54 PolarHBondContact O-N 3.32Å; V54-A56 VanDerWaalsContact C-N 3.33Å; V54-A56 PolarHBondContact O-N 2.8Å; V54-V57 PolarHBondContact O-N 3.47Å; V54-K58 WeakPolarHBondContact O-CB 3.12Å; V54-K58 PolarHBondContact O-N 3.46Å
55Y97.4Very high96.8Very high148 Ų14866.5 Ų66.558%0.5836%0.362SS*.Hα-helixtrans-60.9-42175.6178.6-98.3000112H51 S52 Q53 K58 T59H51-Y55 WeakPolarHBondContact O-CB 3.42Å; H51-Y55 PolarHBondContact O-N 3.41Å; S52-Y55 PolarHBondContact O-N 3.14Å; Q53-Y55 VanDerWaalsContact C-N 3.3Å; Q53-Y55 PolarHBondContact O-N 2.97Å; Y55-K58 PolarHBondContact O-N 2.95Å; Y55-T59 WeakPolarHBondContact O-CB 3.42Å; Y55-T59 PolarHBondContact O-N 2.91Å; Y55-T59 PolarHBondContact O-OG1 3.01Å
56A98Very high96.9Very high19 Ų1964.7 Ų64.716%0.15734%0.336CS..Hα-helixtrans-61.6-48.1175.500000111.7S52 Q53 V54 K58 T59 V60 T79S52-A56 PolarHBondContact O-N 3.01Å; Q53-A56 WeakPolarHBondContact O-CB 3.43Å; Q53-A56 PolarHBondContact O-N 3.34Å; Q53-A56 VanDerWaalsContact O-N 3.14Å; V54-A56 VanDerWaalsContact C-N 3.33Å; V54-A56 PolarHBondContact O-N 2.8Å; A56-K58 PolarHBondContact O-N 3.44Å; A56-T59 PolarHBondContact O-N 2.79Å; A56-V60 WeakPolarHBondContact O-CB 3.36Å; A56-V60 WeakPolarHBondContact O-CG2 3.31Å; A56-V60 PolarHBondContact O-N 3.26Å; A56-T79 HydrophobicContact CB-CG2 3.94Å
57V97.4Very high96.9Very high0 Ų069.5 Ų69.50%036%0.361CS..Hα-helixtrans-58.5-50.4176.7-178.80000110.6F41 L49 Q53 V54 T59 V60 L61 T79 T82 I83F41-V57 HydrophobicContact CD1-CB 4.13Å; F41-V57 HydrophobicContact CD1-CG1 3.63Å; F41-V57 HydrophobicContact CE1-CG1 4.35Å; L49-V57 HydrophobicContact CD1-CG2 3.55Å; Q53-V57 WeakPolarHBondContact O-CG2 3.48Å; Q53-V57 PolarHBondContact O-N 2.94Å; V54-V57 PolarHBondContact O-N 3.47Å; V57-T59 VanDerWaalsContact C-N 3.3Å; V57-T59 PolarHBondContact O-N 2.97Å; V57-V60 PolarHBondContact O-N 3.11Å; V57-L61 HydrophobicContact CG1-CD1 4.17Å; V57-L61 HydrophobicContact CG1-CG 4.42Å; V57-L61 WeakPolarHBondContact O-CG 3.44Å; V57-L61 PolarHBondContact O-N 3.33Å; V57-L61 VanDerWaalsContact O-N 3.1Å; V57-T79 HydrophobicContact CG2-CG2 4.01Å; V57-T82 HydrophobicContact CG1-CG2 4.41Å; V57-T82 HydrophobicContact CG2-CG2 4.1Å; V57-I83 HydrophobicContact CB-CG1 4.24Å; V57-I83 HydrophobicContact CG1-CG1 4.13Å; V57-I83 HydrophobicContact CG2-CG1 4.03Å
58K96.6Very high96.9Very high96 Ų9668.3 Ų68.342%0.41735%0.35SS..Hα-helixtrans-56.6-45.2179.7-178.1-178.4176.6-175.10111.9L37 F41 V54 Y55 A56L37-K58 HydrophobicContact CD1-CD 4.41Å; L37-K58 HydrophobicContact CD1-CG 4Å; L37-K58 HydrophobicContact CD2-CG 4.45Å; F41-K58 HydrophobicContact CE1-CB 3.98Å; F41-K58 HydrophobicContact CE1-CG 4.47Å; F41-K58 HydrophobicContact CZ-CB 3.89Å; F41-K58 HydrophobicContact CZ-CD 4.49Å; F41-K58 HydrophobicContact CZ-CG 4.04Å; V54-K58 WeakPolarHBondContact O-CB 3.12Å; V54-K58 PolarHBondContact O-N 3.46Å; Y55-K58 PolarHBondContact O-N 2.95Å; A56-K58 PolarHBondContact O-N 3.44Å
59T96.6Very high96.9Very high26 Ų2669.9 Ų69.916%0.1635%0.353CS..Hα-helixtrans-65.5-44.4-178.7-59.30000111.4Y55 A56 V57 L61 Q62 R63Y55-T59 WeakPolarHBondContact O-CB 3.42Å; Y55-T59 PolarHBondContact O-N 2.91Å; Y55-T59 PolarHBondContact O-OG1 3.01Å; A56-T59 PolarHBondContact O-N 2.79Å; V57-T59 VanDerWaalsContact C-N 3.3Å; V57-T59 PolarHBondContact O-N 2.97Å; T59-L61 VanDerWaalsContact C-N 3.35Å; T59-L61 PolarHBondContact O-N 2.91Å; T59-Q62 PolarHBondContact O-N 2.9Å; T59-Q62 VanDerWaalsContact O-N 3.15Å; T59-R63 HydrophobicContact CG2-CG 4.38Å; T59-R63 PolarHBondContact O-N 2.76Å
60V96.9Very high96.8Very high29 Ų2969.6 Ų69.618%0.17636%0.356CS..Hα-helixtrans-65.8-38-177.6174.70000111.7A56 V57 Q62 R63 I68 I83A56-V60 WeakPolarHBondContact O-CB 3.36Å; A56-V60 WeakPolarHBondContact O-CG2 3.31Å; A56-V60 PolarHBondContact O-N 3.26Å; V57-V60 PolarHBondContact O-N 3.11Å; V60-Q62 PolarHBondContact O-N 3.13Å; V60-R63 PolarHBondContact O-N 3.11Å; V60-I68 HydrophobicContact CG2-CD1 3.98Å; V60-I68 HydrophobicContact CG2-CG1 4.26Å; V60-I83 HydrophobicContact CB-CD1 3.94Å; V60-I83 HydrophobicContact CB-CG1 4.22Å; V60-I83 HydrophobicContact CB-CG2 4.4Å; V60-I83 HydrophobicContact CG1-CD1 4.02Å; V60-I83 HydrophobicContact CG1-CG1 4.25Å; V60-I83 HydrophobicContact CG1-CG2 3.58Å; V60-I83 HydrophobicContact CG2-CD1 3.77Å
61L95.7Very high96.8Very high5 Ų570 Ų703%0.02636%0.362CS..THydrogen-bonded Turntrans-63.2-13.4177.3-67.9178.6000113.8C35 L37 P38 F41 V57 T59 H86 L87C35-L61 PolarHBondContact SG-O 2.67Å; L37-L61 HydrophobicContact CD2-CB 4.09Å; L37-L61 HydrophobicContact CD2-CD1 4.18Å; P38-L61 HydrophobicContact CG-CD1 4.38Å; F41-L61 HydrophobicContact CD1-CD1 4.47Å; F41-L61 HydrophobicContact CE1-CD1 4.05Å; V57-L61 HydrophobicContact CG1-CD1 4.17Å; V57-L61 HydrophobicContact CG1-CG 4.42Å; V57-L61 WeakPolarHBondContact O-CG 3.44Å; V57-L61 PolarHBondContact O-N 3.33Å; V57-L61 VanDerWaalsContact O-N 3.1Å; T59-L61 VanDerWaalsContact C-N 3.35Å; T59-L61 PolarHBondContact O-N 2.91Å; L61-H86 HydrophobicContact CD1-CB 4.06Å; L61-H86 HydrophobicContact CD2-CB 3.96Å; L61-L87 HydrophobicContact CD2-CD2 3.56Å; L61-L87 HydrophobicContact CD2-CG 3.74Å
62Q95.8Very high96.8Very high52 Ų5268.2 Ų68.224%0.24337%0.365CS..THydrogen-bonded Turntrans-1181.5-176.1-58.1-170.5-83.200113.4I32 I33 L37 T59 V60I32-Q62 CarbonylContact C-O 3.59Å; I32-Q62 WeakPolarHBondContact CA-O 3.34Å; I32-Q62 HydrophobicContact CG2-CB 4.36Å; I33-Q62 PolarHBondContact N-O 3.32Å; L37-Q62 HydrophobicContact CD2-CG 3.98Å; T59-Q62 PolarHBondContact O-N 2.9Å; T59-Q62 VanDerWaalsContact O-N 3.15Å; V60-Q62 PolarHBondContact O-N 3.13Å
63R95.7Very high96.6Very high120 Ų12068.6 Ų68.645%0.45338%0.382SS..  trans-126.4136-176.3-70.4-169.8176.9-158.3-5.9111.4T59 V60 L65T59-R63 HydrophobicContact CG2-CG 4.38Å; T59-R63 PolarHBondContact O-N 2.76Å; V60-R63 PolarHBondContact O-N 3.11Å; R63-L65 PolarHBondContact O-N 3.19Å
64P94.9Very high96.6Very high47 Ų4770.3 Ų70.331%0.30539%0.394SS..SBendtrans-68-24.3177.928.7-36.6000113.2Y18 V31 I33Y18-P64 HydrophobicContact CD1-CB 3.98Å; Y18-P64 HydrophobicContact CD1-CG 3.54Å; Y18-P64 HydrophobicContact CD2-CG 4.46Å; Y18-P64 HydrophobicContact CE1-CB 4.17Å; Y18-P64 HydrophobicContact CE1-CG 3.38Å; Y18-P64 HydrophobicContact CE2-CG 4.3Å; Y18-P64 HydrophobicContact CG-CG 4.11Å; V31-P64 HydrophobicContact CB-CG 4.2Å; V31-P64 WeakPolarHBondContact O-CD 3.44Å; I33-P64 HydrophobicContact CD1-CB 4.28Å
65L96Very high96.5Very high80 Ų8069.3 Ų69.342%0.41939%0.393SS..SBendtrans-137.8132.9175.2-174.961000109.3Y18 I19 K22 R63Y18-L65 HydrophobicContact CE1-CB 4.19Å; I19-L65 HydrophobicContact CD1-CB 3.78Å; I19-L65 HydrophobicContact CD1-CD1 4.3Å; I19-L65 HydrophobicContact CD1-CD2 4.4Å; I19-L65 HydrophobicContact CD1-CG 4.38Å; K22-L65 HydrophobicContact CG-CD2 4.06Å; R63-L65 PolarHBondContact O-N 3.19Å
66S96.6Very high96.5Very high44 Ų4465.7 Ų65.731%0.30838%0.38SS..  trans-142142.7177.6-70.60000110.4
67L96.9Very high96.5Very high164 Ų16470.5 Ų70.586%0.85941%0.407SS*.  trans-113.6116.3173.5-178.665.2000108.9
68I96.8Very high96.5Very high57 Ų5772.4 Ų72.429%0.29242%0.419SS..  trans-101.1121.9174.6-57175.8000108.3V60 T79 I83V60-I68 HydrophobicContact CG2-CD1 3.98Å; V60-I68 HydrophobicContact CG2-CG1 4.26Å; I68-T79 HydrophobicContact CD1-CG2 4.43Å; I68-I83 HydrophobicContact CD1-CD1 3.41Å; I68-I83 VanDerWaalsContact CD1-CD1 3.41Å
69Q96.9Very high96.6Very high169 Ų16968 Ų6879%0.7940%0.4SS*.  trans-133.1147.7-176.3-170.2-99.9-12.400110.7
70G95.4Very high96.6Very high18 Ų1869.2 Ų69.219%0.18641%0.41CS..  trans174.3159.4176.400000112.4K76G70-K76 PolarHBondContact O-NZ 3.46Å
71P97.1Very high96.7Very high87 Ų8769.8 Ų69.857%0.56542%0.417SS*.  trans-54.2168.6177-27.832.7000115.2T74 K76P71-T74 HydrophobicContact CB-CG2 3.97Å; P71-T74 HydrophobicContact CG-CG2 4.24Å; P71-T74 WeakPolarHBondContact O-CG2 3.47Å; P71-T74 PolarHBondContact O-N 2.94Å; P71-T74 PolarHBondContact O-OG1 3.48Å; P71-K76 PolarHBondContact O-NZ 3.38Å
72P97.3Very high96.8Very high127 Ų12769.6 Ų69.683%0.82542%0.416SS*.THydrogen-bonded Turntrans-53.8142.2167.7-2435.1000111.3T74P72-T74 VanDerWaalsContact C-N 3.33Å; P72-T74 PolarHBondContact O-N 3Å
73G95.4Very high96.8Very high86 Ų8667.7 Ų67.789%0.88741%0.408SS*.THydrogen-bonded Turntrans79.7-1.3178.100000116.6G75G73-G75 PolarHBondContact O-N 3.48Å; G73-G75 VanDerWaalsContact O-N 3.14Å
74T96.6Very high96.9Very high59 Ų5966.5 Ų66.536%0.36241%0.414SS..SBendtrans-81.114-177.362.30000115.8Q53 P71 P72 K76Q53-T74 PolarHBondContact NE2-O 3.34Å; P71-T74 HydrophobicContact CB-CG2 3.97Å; P71-T74 HydrophobicContact CG-CG2 4.24Å; P71-T74 WeakPolarHBondContact O-CG2 3.47Å; P71-T74 PolarHBondContact O-N 2.94Å; P71-T74 PolarHBondContact O-OG1 3.48Å; P72-T74 VanDerWaalsContact C-N 3.33Å; P72-T74 PolarHBondContact O-N 3Å; T74-K76 PolarHBondContact O-N 2.96Å
75G96.9Very high96.9Very high23 Ų2367.5 Ų67.524%0.23741%0.412CS..  trans72.425.4175.700000115.2G73 T77 V78 T79G73-G75 PolarHBondContact O-N 3.48Å; G73-G75 VanDerWaalsContact O-N 3.14Å; G75-T77 VanDerWaalsContact C-N 3.29Å; G75-T77 PolarHBondContact O-N 3.28Å; G75-V78 PolarHBondContact O-N 3.1Å; G75-T79 WeakPolarHBondContact O-CB 3.49Å; G75-T79 PolarHBondContact O-N 3.29Å; G75-T79 PolarHBondContact O-OG1 3.14Å
76K97.6Very high96.9Very high71 Ų7164.3 Ų64.331%0.30940%0.395SS..Hα-helixtrans-52.8-44.6174.9-68.1-174.2-66.6-72.70112.7G70 P71 T74 T79 S80G70-K76 PolarHBondContact O-NZ 3.46Å; P71-K76 PolarHBondContact O-NZ 3.38Å; T74-K76 PolarHBondContact O-N 2.96Å; K76-T79 PolarHBondContact O-N 2.9Å; K76-S80 WeakPolarHBondContact O-CB 3.33Å; K76-S80 PolarHBondContact O-N 3.37Å; K76-S80 PolarHBondContact O-OG 3.26Å
77T96.8Very high96.8Very high120 Ų12065.7 Ų65.774%0.73640%0.398SS*.Hα-helixtrans-66.1-45.2179.1-50.70000111.9G75 T79 S80 A81G75-T77 VanDerWaalsContact C-N 3.29Å; G75-T77 PolarHBondContact O-N 3.28Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.91Å; T77-S80 PolarHBondContact O-N 3Å; T77-A81 WeakPolarHBondContact O-CB 3.35Å; T77-A81 PolarHBondContact O-N 3.29Å
78V97.8Very high96.6Very high40 Ų4061.6 Ų61.624%0.24239%0.388CS..Hα-helixtrans-60.3-45.7175.9175.70000110.4P47 L49 G75 S80 A81 T82P47-V78 HydrophobicContact CG-CG1 4.47Å; L49-V78 HydrophobicContact CD2-CG1 3.87Å; G75-V78 PolarHBondContact O-N 3.1Å; V78-S80 VanDerWaalsContact C-N 3.35Å; V78-S80 PolarHBondContact O-N 3.45Å; V78-A81 PolarHBondContact O-N 3.03Å; V78-T82 PolarHBondContact O-N 2.95Å; V78-T82 PolarHBondContact O-OG1 3.11Å; V78-T82 VanDerWaalsContact O-OG1 3.11Å
79T98.1Very high96.3Very high3 Ų367.5 Ų67.52%0.01841%0.407CS..Hα-helixtrans-59.7-44.9176.8-520000111.4Q53 A56 V57 I68 G75 K76 T77 T82 I83Q53-T79 HydrophobicContact CB-CG2 4.36Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.29Å; A56-T79 HydrophobicContact CB-CG2 3.94Å; V57-T79 HydrophobicContact CG2-CG2 4.01Å; I68-T79 HydrophobicContact CD1-CG2 4.43Å; G75-T79 WeakPolarHBondContact O-CB 3.49Å; G75-T79 PolarHBondContact O-N 3.29Å; G75-T79 PolarHBondContact O-OG1 3.14Å; K76-T79 PolarHBondContact O-N 2.9Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.91Å; T79-T82 PolarHBondContact O-N 3.47Å; T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.2Å; T79-I83 PolarHBondContact O-N 3.08Å
80S97.7Very high95.7Very high52 Ų5261.9 Ų61.936%0.36438%0.381SS..Hα-helixtrans-66.2-40.7179.1-560000112.1K76 T77 V78 T82 I83 V84K76-S80 WeakPolarHBondContact O-CB 3.33Å; K76-S80 PolarHBondContact O-N 3.37Å; K76-S80 PolarHBondContact O-OG 3.26Å; T77-S80 PolarHBondContact O-N 3Å; V78-S80 VanDerWaalsContact C-N 3.35Å; V78-S80 PolarHBondContact O-N 3.45Å; S80-T82 VanDerWaalsContact C-N 3.33Å; S80-T82 PolarHBondContact O-N 2.86Å; S80-I83 WeakPolarHBondContact O-CB 3.45Å; S80-I83 PolarHBondContact O-N 3.23Å; S80-V84 WeakPolarHBondContact O-CG2 3.33Å; S80-V84 PolarHBondContact O-N 3.47Å
81A97.9Very high94.2Very high41 Ų4164 Ų6434%0.33940%0.402SS..Hα-helixtrans-64.2-39.1175.800000111.6L46 T77 V78 V84 Y85L46-A81 HydrophobicContact CD1-CB 3.53Å; T77-A81 WeakPolarHBondContact O-CB 3.35Å; T77-A81 PolarHBondContact O-N 3.29Å; V78-A81 PolarHBondContact O-N 3.03Å; A81-V84 PolarHBondContact O-N 3.36Å; A81-Y85 WeakPolarHBondContact O-CB 3.36Å; A81-Y85 PolarHBondContact O-N 2.94Å
82T97.8Very high92.2Very high1 Ų165.7 Ų65.71%0.00641%0.406CS..Hα-helixtrans-65.2-37.2173.3-58.20000112.6F41 A43 L49 V57 V78 T79 S80 Y85 H86F41-T82 WeakPolarHBondContact O-CG2 3.32Å; A43-T82 HydrophobicContact CB-CG2 4.05Å; L49-T82 HydrophobicContact CD1-CG2 3.86Å; V57-T82 HydrophobicContact CG1-CG2 4.41Å; V57-T82 HydrophobicContact CG2-CG2 4.1Å; V78-T82 PolarHBondContact O-N 2.95Å; V78-T82 PolarHBondContact O-OG1 3.11Å; V78-T82 VanDerWaalsContact O-OG1 3.11Å; T79-T82 PolarHBondContact O-N 3.47Å; S80-T82 VanDerWaalsContact C-N 3.33Å; S80-T82 PolarHBondContact O-N 2.86Å; T82-Y85 PolarHBondContact O-N 3.49Å; T82-H86 PolarHBondContact O-CD2 3.38Å; T82-H86 PolarHBondContact O-N 3.48Å; T82-H86 VanDerWaalsContact O-N 3.08Å
83I97.1Very high89.8Confident12 Ų1266.4 Ų66.46%0.06244%0.437CS..Hα-helixtrans-59.5-52.8172.9-72.7159.1000110.6V57 V60 I68 T79 S80 Y85 H86 L87V57-I83 HydrophobicContact CB-CG1 4.24Å; V57-I83 HydrophobicContact CG1-CG1 4.13Å; V57-I83 HydrophobicContact CG2-CG1 4.03Å; V60-I83 HydrophobicContact CB-CD1 3.94Å; V60-I83 HydrophobicContact CB-CG1 4.22Å; V60-I83 HydrophobicContact CB-CG2 4.4Å; V60-I83 HydrophobicContact CG1-CD1 4.02Å; V60-I83 HydrophobicContact CG1-CG1 4.25Å; V60-I83 HydrophobicContact CG1-CG2 3.58Å; V60-I83 HydrophobicContact CG2-CD1 3.77Å; I68-I83 HydrophobicContact CD1-CD1 3.41Å; I68-I83 VanDerWaalsContact CD1-CD1 3.41Å; T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.2Å; T79-I83 PolarHBondContact O-N 3.08Å; S80-I83 WeakPolarHBondContact O-CB 3.45Å; S80-I83 PolarHBondContact O-N 3.23Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 3.15Å; I83-H86 PolarHBondContact O-N 3.43Å; I83-H86 VanDerWaalsContact O-N 3.15Å; I83-L87 HydrophobicContact CG2-CD1 3.79Å; I83-L87 HydrophobicContact CG2-CG 4.36Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 3.01Å
84V96.4Very high89.5Confident95 Ų9565.4 Ų65.458%0.57641%0.414SS*.Hα-helixtrans-59.8-42.7-179.9173.60000110.7S80 A81 H86 L87 A88S80-V84 WeakPolarHBondContact O-CG2 3.33Å; S80-V84 PolarHBondContact O-N 3.47Å; A81-V84 PolarHBondContact O-N 3.36Å; V84-H86 VanDerWaalsContact C-N 3.33Å; V84-H86 PolarHBondContact O-N 2.84Å; V84-L87 PolarHBondContact O-N 3.23Å; V84-A88 VanDerWaalsContact O-CB 3.31Å; V84-A88 WeakPolarHBondContact O-CB 3.22Å; V84-A88 PolarHBondContact O-N 2.93Å
85Y96.4Very high89.1Confident69 Ų6965.7 Ų65.727%0.27142%0.417SS..Hα-helixtrans-55.5-45.9175.5172.8-96.3000112.4A43 A81 T82 I83 R89A43-Y85 HydrophobicContact CB-CD1 3.54Å; A43-Y85 HydrophobicContact CB-CD2 4.21Å; A43-Y85 HydrophobicContact CB-CE1 4.1Å; A43-Y85 HydrophobicContact CB-CG 3.6Å; A81-Y85 WeakPolarHBondContact O-CB 3.36Å; A81-Y85 PolarHBondContact O-N 2.94Å; T82-Y85 PolarHBondContact O-N 3.49Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 3.15Å; Y85-R89 VanDerWaalsContact O-CG 3.3Å; Y85-R89 WeakPolarHBondContact O-CG 3.27Å; Y85-R89 PolarHBondContact O-N 3.34Å
86H95.4Very high88.7Confident13 Ų1368.1 Ų68.16%0.0643%0.427CS..Hα-helixtrans-71.3-41.8178.9-75-58.9000112.9R40 F41 L61 T82 I83 V84 R89 Q90R40-H86 PolarHBondContact O-CE1 2.78Å; F41-H86 WeakPolarHBondContact CA-NE2 3.24Å; L61-H86 HydrophobicContact CD1-CB 4.06Å; L61-H86 HydrophobicContact CD2-CB 3.96Å; T82-H86 PolarHBondContact O-CD2 3.38Å; T82-H86 PolarHBondContact O-N 3.48Å; T82-H86 VanDerWaalsContact O-N 3.08Å; I83-H86 PolarHBondContact O-N 3.43Å; I83-H86 VanDerWaalsContact O-N 3.15Å; V84-H86 VanDerWaalsContact C-N 3.33Å; V84-H86 PolarHBondContact O-N 2.84Å; H86-R89 PolarHBondContact O-N 3.05Å; H86-Q90 WeakPolarHBondContact O-CG 3.45Å; H86-Q90 PolarHBondContact O-N 3.31Å
87L94.1Very high88.2Confident73 Ų7367.9 Ų67.938%0.38243%0.434SS..Hα-helixtrans-61-46177.4-72.3173.7000111.7L61 I83 V84 R89 Q90 G91L61-L87 HydrophobicContact CD2-CD2 3.56Å; L61-L87 HydrophobicContact CD2-CG 3.74Å; I83-L87 HydrophobicContact CG2-CD1 3.79Å; I83-L87 HydrophobicContact CG2-CG 4.36Å; I83-L87 WeakPolarHBondContact O-CG 3.46Å; I83-L87 PolarHBondContact O-N 3.01Å; V84-L87 PolarHBondContact O-N 3.23Å; L87-R89 PolarHBondContact O-N 3.45Å; L87-Q90 PolarHBondContact O-N 3.26Å; L87-Q90 VanDerWaalsContact O-N 3.14Å; L87-G91 PolarHBondContact O-N 3.36Å
88A93Very high87.6Confident78 Ų7864.7 Ų64.765%0.64542%0.415SS*.Hα-helixtrans-60.1-34.1178.400000112.5V84V84-A88 VanDerWaalsContact O-CB 3.31Å; V84-A88 WeakPolarHBondContact O-CB 3.22Å; V84-A88 PolarHBondContact O-N 2.93Å
89R90.1Very high86.9Confident180 Ų18066.3 Ų66.368%0.67943%0.427SS*.Hα-helixtrans-82.4-21.7178.6-70.2178.965.485.17.5114.2Y85 H86 L87Y85-R89 VanDerWaalsContact O-CG 3.3Å; Y85-R89 WeakPolarHBondContact O-CG 3.27Å; Y85-R89 PolarHBondContact O-N 3.34Å; H86-R89 PolarHBondContact O-N 3.05Å; L87-R89 PolarHBondContact O-N 3.45Å
90Q84.3Confident86.1Confident52 Ų5270.9 Ų70.924%0.24346%0.456CS..Hα-helixtrans-75.1-16.5174.7-76.1179.1400112.1Q36 H86 L87 N92Q36-Q90 PolarHBondContact O-NE2 3.28Å; H86-Q90 WeakPolarHBondContact O-CG 3.45Å; H86-Q90 PolarHBondContact O-N 3.31Å; L87-Q90 PolarHBondContact O-N 3.26Å; L87-Q90 VanDerWaalsContact O-N 3.14Å; Q90-N92 PolarHBondContact O-N 3.06Å
91G64.5Low85.3Confident62 Ų6272.3 Ų72.364%0.63946%0.463SS*.THydrogen-bonded Turntrans70.415.8176.800000114.3L87L87-G91 PolarHBondContact O-N 3.36Å
92N55.5Low84.2Confident122 Ų12274.9 Ų74.965%0.65247%0.473SS*.  trans-9925177.5-69.2-18.4000112.3Q90Q90-N92 PolarHBondContact O-N 3.06Å
93G45.7Very low83Confident142 Ų14281.6 Ų81.6100%1.46452%0.516SS*.  trans-86.90177.200000111.8

Retrieved 93 of 93 residues in 57.2 ms (Link to these results)