A0A059X4U2_HUMAN Loading...

UPF1

AlphaFold DB , UniProt , Accession A0A059X4U2, 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
1M91Very high97Very high201 Ų201102.7 Ų102.799%0.9958%0.577SS**  0-50.60-63.7-176.48500112.5S3 A4 L5M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.44Å; M1-A4 PolarHBondContact O-N 2.97Å; M1-A4 VanDerWaalsContact O-N 3.09Å; M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2Q96.8Very high96.8Very high157 Ų157109.8 Ų109.873%0.73460%0.602SS**Hα-helixtrans-52-43.3-177.7-68.1-63.3-12.500114.8A4 L5 K6Q2-A4 PolarHBondContact O-N 3.35Å; Q2-L5 PolarHBondContact O-N 3.46Å; Q2-K6 PolarHBondContact O-N 2.83Å
3S97.7Very high96.8Very high93 Ų93110.7 Ų110.765%0.6561%0.613SS**Hα-helixtrans-58.5-48.2176.9-171.70000112.5M1 L5 K6 T7M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.44Å; S3-L5 PolarHBondContact O-N 3Å; S3-K6 PolarHBondContact O-N 3.42Å; S3-T7 PolarHBondContact O-N 3.15Å; S3-T7 PolarHBondContact O-OG1 3.28Å
4A97.9Very high96.8Very high69 Ų69105.9 Ų105.957%0.5759%0.591SS**Hα-helixtrans-64.8-37.7179.900000112.7M1 Q2 T7 F8M1-A4 PolarHBondContact O-N 2.97Å; M1-A4 VanDerWaalsContact O-N 3.09Å; Q2-A4 PolarHBondContact O-N 3.35Å; A4-T7 PolarHBondContact O-N 3.04Å; A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.45Å
5L98.1Very high96.9Very high103 Ų103102.1 Ų102.154%0.53957%0.571SS.*Hα-helixtrans-65.5-41.6174.6-68.1175.7000111.6M1 Q2 S3 F8 A9M1-L5 PolarHBondContact O-N 3.07Å; M1-L5 VanDerWaalsContact O-N 3.14Å; Q2-L5 PolarHBondContact O-N 3.46Å; S3-L5 PolarHBondContact O-N 3Å; L5-F8 PolarHBondContact O-N 3.18Å; L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 3.45Å
6K98.1Very high96.9Very high148 Ų14899.4 Ų99.464%0.64356%0.562SS**Hα-helixtrans-60.9-49.3174.4-174179.1179.6-178.50110.5Q2 S3 F8 A9 V10Q2-K6 PolarHBondContact O-N 2.83Å; S3-K6 PolarHBondContact O-N 3.42Å; K6-F8 PolarHBondContact O-N 3.42Å; K6-A9 PolarHBondContact O-N 2.92Å; K6-A9 VanDerWaalsContact O-N 3.12Å; K6-V10 HydrophobicContact CG-CG1 4.23Å; K6-V10 HydrophobicContact CG-CG2 4.39Å; K6-V10 WeakPolarHBondContact O-CG1 3.49Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.08Å; K6-V10 PolarHBondContact O-N 3.29Å
7T98.3Very high96.9Very high60 Ų6096.4 Ų96.437%0.36856%0.557SS.*Hα-helixtrans-56.2-49.5176.6-60.70000111.5S3 A4 A9 V10 D11S3-T7 PolarHBondContact O-N 3.15Å; S3-T7 PolarHBondContact O-OG1 3.28Å; A4-T7 PolarHBondContact O-N 3.04Å; T7-A9 PolarHBondContact O-N 3.34Å; T7-V10 PolarHBondContact O-N 3.41Å; T7-D11 HydrophobicContact CG2-CB 4.25Å; T7-D11 WeakPolarHBondContact O-CB 3.33Å; T7-D11 PolarHBondContact O-N 3.02Å
8F98.2Very high97Very high55 Ų5593.3 Ų93.324%0.24154%0.535CS..Hα-helixtrans-60.1-31.1177.7-178.5-112.5000113.4A4 L5 K6 V15 Y20 L23 L24A4-F8 WeakPolarHBondContact O-CB 3.43Å; A4-F8 PolarHBondContact O-N 3.45Å; L5-F8 PolarHBondContact O-N 3.18Å; K6-F8 PolarHBondContact O-N 3.42Å; F8-V15 HydrophobicContact CD2-CG2 4.22Å; F8-V15 HydrophobicContact CE2-CG2 3.89Å; F8-Y20 HydrophobicContact CD2-CD2 4.49Å; F8-Y20 HydrophobicContact CE1-CE2 4.47Å; F8-Y20 AromaticContact CE2-CD2 3.7Å; F8-Y20 HydrophobicContact CE2-CD2 3.7Å; 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 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.3Å; F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.46Å
9A96.8Very high97Very high79 Ų7990.7 Ų90.765%0.65352%0.519SS*.Hα-helixtrans-84.4-30.7-179.500000114.4L5 K6 T7L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 3.45Å; K6-A9 PolarHBondContact O-N 2.92Å; K6-A9 VanDerWaalsContact O-N 3.12Å; T7-A9 PolarHBondContact O-N 3.34Å
10V96.8Very high97.1Very high103 Ų10390.6 Ų90.662%0.62451%0.51SS*.Hα-helixtrans-110.4-21.9-171.5-52.10000114.2K6 T7K6-V10 HydrophobicContact CG-CG1 4.23Å; K6-V10 HydrophobicContact CG-CG2 4.39Å; K6-V10 WeakPolarHBondContact O-CG1 3.49Å; K6-V10 VanDerWaalsContact O-CG2 3.23Å; K6-V10 WeakPolarHBondContact O-CG2 3.08Å; K6-V10 PolarHBondContact O-N 3.29Å; T7-V10 PolarHBondContact O-N 3.41Å
11D97.6Very high97.1Very high62 Ų6289.8 Ų89.833%0.33250%0.502SS..  trans-110.199.9-179.1178.57.4000109.9T7 T13 S14T7-D11 HydrophobicContact CG2-CB 4.25Å; T7-D11 WeakPolarHBondContact O-CB 3.33Å; T7-D11 PolarHBondContact O-N 3.02Å; D11-T13 PolarHBondContact O-N 3.23Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.48Å; D11-T13 WeakPolarHBondContact OD1-CB 3.36Å; D11-T13 PolarHBondContact OD1-N 3.13Å; D11-T13 PolarHBondContact OD1-OG1 3.19Å; D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.45Å; D11-S14 PolarHBondContact O-N 3.31Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.09Å
12E94.1Very high97.5Very high188 Ų18883.4 Ų83.488%0.87947%0.469SS*.THydrogen-bonded Turntrans-64.5-13.7178.6-61.1-176.2178.700113.1
13T96.8Very high97.5Very high121 Ų12181 Ų8174%0.74246%0.461SS*.THydrogen-bonded Turntrans-94.4-4.1177.571.40000113.6D11 V15D11-T13 PolarHBondContact O-N 3.23Å; D11-T13 VanDerWaalsContact O-N 3.15Å; D11-T13 WeakPolarHBondContact OD1-CA 3.48Å; D11-T13 WeakPolarHBondContact OD1-CB 3.36Å; D11-T13 PolarHBondContact OD1-N 3.13Å; D11-T13 PolarHBondContact OD1-OG1 3.19Å; T13-V15 VanDerWaalsContact C-N 3.26Å; T13-V15 PolarHBondContact O-N 3.34Å
14S97.6Very high97.5Very high44 Ų4480.4 Ų80.431%0.30845%0.449SS..SBendtrans-65.6-25.2-177.964.10000114.1D11D11-S14 VanDerWaalsContact O-CB 3.29Å; D11-S14 WeakPolarHBondContact O-CB 3.45Å; D11-S14 PolarHBondContact O-N 3.31Å; D11-S14 VanDerWaalsContact O-N 3.12Å; D11-S14 PolarHBondContact O-OG 3.09Å
15V97.6Very high97.5Very high48 Ų4880.2 Ų80.229%0.29146%0.455SS..SBendtrans-144.5164.4172.1-64.10000110.2F8 T13 I19F8-V15 HydrophobicContact CD2-CG2 4.22Å; F8-V15 HydrophobicContact CE2-CG2 3.89Å; T13-V15 VanDerWaalsContact C-N 3.26Å; T13-V15 PolarHBondContact O-N 3.34Å; 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 4.41Å
16S96.9Very high97.5Very high60 Ų6079.8 Ų79.842%0.4245%0.45SS..  trans-67.7150.6171.170.10000111.5Y18 I19 Y20S16-Y18 PolarHBondContact O-N 3.34Å; S16-I19 PolarHBondContact O-N 3.35Å; S16-I19 WeakPolarHBondContact OG-CG1 3.33Å; S16-I19 PolarHBondContact OG-N 2.94Å; S16-Y20 PolarHBondContact O-N 2.99Å
17G97.1Very high97.5Very high47 Ų4782.2 Ų82.249%0.48546%0.463SS..Hα-helixtrans-56.3-34.8178.400000113.7Y20 H21G17-Y20 PolarHBondContact O-N 3.29Å; G17-H21 PolarHBondContact O-CD2 2.73Å; G17-H21 PolarHBondContact O-N 3.45Å
18Y97.9Very high97.5Very high41 Ų4181.3 Ų81.316%0.16146%0.458CS..Hα-helixtrans-60.7-47.4173.6-179.5-84.2000112.1S16 K22 V28 E29 V31 P64 L65S16-Y18 PolarHBondContact O-N 3.34Å; Y18-K22 HydrophobicContact CD1-CG 4.14Å; Y18-K22 HydrophobicContact CE1-CG 3.6Å; Y18-K22 HydrophobicContact CE2-CG 4.42Å; Y18-K22 PolarHBondContact O-N 3.12Å; Y18-K22 WeakPolarHBondContact OH-CE 3.29Å; Y18-V28 HydrophobicContact CD2-CG2 4.16Å; Y18-V28 HydrophobicContact CE2-CG2 3.94Å; Y18-E29 WeakPolarHBondContact CE2-O 3.47Å; Y18-V31 HydrophobicContact CD2-CB 4.03Å; Y18-V31 HydrophobicContact CD2-CG2 3.48Å; Y18-V31 VanDerWaalsContact CD2-CG2 3.48Å; Y18-V31 HydrophobicContact CE2-CB 3.95Å; Y18-V31 HydrophobicContact CE2-CG2 3.66Å; Y18-V31 HydrophobicContact CG-CG2 4.43Å; Y18-P64 HydrophobicContact CD1-CB 3.87Å; Y18-P64 HydrophobicContact CD1-CG 3.39Å; Y18-P64 HydrophobicContact CD2-CG 4.48Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.35Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; Y18-L65 HydrophobicContact CE1-CB 4.33Å
19I98.1Very high97.4Very high44 Ų4487.2 Ų87.223%0.22649%0.486CS..Hα-helixtrans-66.4-42.8179.4-70177.5000110V15 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 4.41Å; S16-I19 PolarHBondContact O-N 3.35Å; S16-I19 WeakPolarHBondContact OG-CG1 3.33Å; S16-I19 PolarHBondContact OG-N 2.94Å; I19-H21 PolarHBondContact O-N 3.32Å; I19-K22 PolarHBondContact O-N 3.15Å; I19-L23 HydrophobicContact CG2-CD1 3.65Å; I19-L23 HydrophobicContact CG2-CG 4.05Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.33Å
20Y98.3Very high97.3Very high89 Ų8989.2 Ų89.235%0.34949%0.486SS..Hα-helixtrans-53.1-54.2176.2179.9-95.4000111.7F8 S16 G17 L23 L24F8-Y20 HydrophobicContact CD2-CD2 4.49Å; F8-Y20 HydrophobicContact CE1-CE2 4.47Å; F8-Y20 AromaticContact CE2-CD2 3.7Å; F8-Y20 HydrophobicContact CE2-CD2 3.7Å; 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 2.99Å; G17-Y20 PolarHBondContact O-N 3.29Å; Y20-L23 PolarHBondContact O-N 2.94Å; 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 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.23Å; Y20-L24 PolarHBondContact O-N 3.12Å; Y20-L24 VanDerWaalsContact O-N 3.13Å
21H98.2Very high97.2Very high73 Ų7387.7 Ų87.734%0.33848%0.476SS..Hα-helixtrans-66.9-41.5-178.7-72.9-51.4000113.5G17 I19 L23 L24 G25 H26 V28G17-H21 PolarHBondContact O-CD2 2.73Å; G17-H21 PolarHBondContact O-N 3.45Å; I19-H21 PolarHBondContact O-N 3.32Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.23Å; H21-L24 PolarHBondContact O-N 3.16Å; H21-G25 PolarHBondContact O-N 3.29Å; H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.85Å; H21-H26 AromaticContact ND1-CE1 3.88Å; H21-H26 AromaticContact ND1-CG 3.93Å; H21-H26 AromaticContact ND1-ND1 3.07Å; H21-H26 PolarHBondContact ND1-ND1 2.91Å; H21-H26 PolarHBondContact O-N 3.01Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å
22K97.9Very high97.1Very high68 Ų6890.9 Ų90.930%0.29649%0.492SS..Hα-helixtrans-63.2-38.2175.4-78.2-62.4-164.3-162.20112Y18 I19 L24 G25 V28 D30 L65Y18-K22 HydrophobicContact CD1-CG 4.14Å; Y18-K22 HydrophobicContact CE1-CG 3.6Å; Y18-K22 HydrophobicContact CE2-CG 4.42Å; Y18-K22 PolarHBondContact O-N 3.12Å; Y18-K22 WeakPolarHBondContact OH-CE 3.29Å; I19-K22 PolarHBondContact O-N 3.15Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-G25 PolarHBondContact O-N 2.9Å; K22-V28 HydrophobicContact CD-CG2 3.46Å; K22-V28 VanDerWaalsContact CD-CG2 3.46Å; K22-V28 HydrophobicContact CG-CG2 3.64Å; K22-V28 PolarHBondContact NZ-O 2.78Å; K22-D30 IonicContact NZ-OD1 3.28Å; K22-D30 PolarHBondContact NZ-OD1 2.95Å; K22-L65 HydrophobicContact CB-CD2 4.05Å
23L97.9Very high97.2Very high107 Ų10785.2 Ų85.256%0.5647%0.467SS*.Hα-helixtrans-68.8-31.1178.2-72.3178.1000112.8F8 I19 Y20 H21 G25F8-L23 HydrophobicContact CE2-CD1 4.15Å; F8-L23 HydrophobicContact CZ-CB 4.33Å; F8-L23 HydrophobicContact CZ-CD1 4.3Å; I19-L23 HydrophobicContact CG2-CD1 3.65Å; I19-L23 HydrophobicContact CG2-CG 4.05Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 3.33Å; Y20-L23 PolarHBondContact O-N 2.94Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.23Å; L23-G25 VanDerWaalsContact C-N 3.29Å
24L98.1Very high97.1Very high79 Ų7989.1 Ų89.141%0.41447%0.474SS..THydrogen-bonded Turntrans-840.3175.3-65.5-176.7000114F8 Y20 H21 K22 H26F8-L24 HydrophobicContact CE1-CD2 4.15Å; F8-L24 HydrophobicContact CZ-CD2 4.46Å; 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 4.01Å; Y20-L24 VanDerWaalsContact CZ-CD1 3.41Å; Y20-L24 WeakPolarHBondContact O-CG 3.23Å; Y20-L24 PolarHBondContact O-N 3.12Å; Y20-L24 VanDerWaalsContact O-N 3.13Å; H21-L24 PolarHBondContact O-N 3.16Å; K22-L24 VanDerWaalsContact C-N 3.34Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 2.64Å
25G98.1Very high96.8Very high66 Ų6688.6 Ų88.668%0.6847%0.469SS*.THydrogen-bonded Turntrans73.817.918000000114.2H21 K22 L23H21-G25 PolarHBondContact O-N 3.29Å; K22-G25 PolarHBondContact O-N 2.9Å; L23-G25 VanDerWaalsContact C-N 3.29Å
26H98.3Very high96.6Very high94 Ų9495.1 Ų95.144%0.43550%0.497SS..  trans-72.7147.4173.3-61.5-173.6000110.1H21 L24 V28H21-H26 HydrophobicContact CB-CB 4.09Å; H21-H26 AromaticContact CE1-ND1 3.85Å; H21-H26 AromaticContact ND1-CE1 3.88Å; H21-H26 AromaticContact ND1-CG 3.93Å; H21-H26 AromaticContact ND1-ND1 3.07Å; H21-H26 PolarHBondContact ND1-ND1 2.91Å; H21-H26 PolarHBondContact O-N 3.01Å; L24-H26 VanDerWaalsContact C-N 3.29Å; L24-H26 PolarHBondContact O-N 2.64Å; H26-V28 PolarHBondContact O-N 3.47Å
27E97.4Very high96.5Very high199 Ų19995.1 Ų95.193%0.9349%0.492SS*.  trans-71.6121.3171.4-66.6-169.7169.400110
28V97.3Very high96.4Very high41 Ų4194.4 Ų94.425%0.24848%0.479CS..  trans-138.1141.7172.8-62.70000109.5Y18 H21 K22 H26Y18-V28 HydrophobicContact CD2-CG2 4.16Å; Y18-V28 HydrophobicContact CE2-CG2 3.94Å; H21-V28 HydrophobicContact CB-CG1 3.46Å; H21-V28 VanDerWaalsContact CB-CG1 3.46Å; K22-V28 HydrophobicContact CD-CG2 3.46Å; K22-V28 VanDerWaalsContact CD-CG2 3.46Å; K22-V28 HydrophobicContact CG-CG2 3.64Å; K22-V28 PolarHBondContact NZ-O 2.78Å; H26-V28 PolarHBondContact O-N 3.47Å
29E96.8Very high96.2Very high179 Ų179102.9 Ų102.984%0.83652%0.517SS*.PPolyproline II helixtrans-60.7143.3175.3-64.6-174176.600111.1Y18 V31Y18-E29 WeakPolarHBondContact CE2-O 3.47Å; E29-V31 PolarHBondContact O-N 3.32Å
30D94.1Very high96.1Very high121 Ų121110.5 Ų110.565%0.64754%0.542SS*.PPolyproline II helixtrans-69.5129.9-179.4-77.3-14.2000111.4K22K22-D30 IonicContact NZ-OD1 3.28Å; K22-D30 PolarHBondContact NZ-OD1 2.95Å
31V95.4Very high96Very high71 Ų71107.8 Ų107.843%0.4353%0.533SS..PPolyproline II helixtrans-101.6134.8179.9176.30000110.4Y18 E29 P64Y18-V31 HydrophobicContact CD2-CB 4.03Å; Y18-V31 HydrophobicContact CD2-CG2 3.48Å; Y18-V31 VanDerWaalsContact CD2-CG2 3.48Å; Y18-V31 HydrophobicContact CE2-CB 3.95Å; Y18-V31 HydrophobicContact CE2-CG2 3.66Å; Y18-V31 HydrophobicContact CG-CG2 4.43Å; E29-V31 PolarHBondContact O-N 3.32Å; V31-P64 HydrophobicContact CB-CG 4.29Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.45Å
32I95.9Very high95.8Very high128 Ų128106.1 Ų106.166%0.65653%0.527SS*.PPolyproline II helixtrans-103.1120.3172.2-58.6177.3000109.4K34 Q62I32-K34 PolarHBondContact O-N 3.39Å; I32-Q62 CarbonylContact C-O 3.6Å; I32-Q62 WeakPolarHBondContact CA-O 3.47Å; I32-Q62 HydrophobicContact CG2-CB 4.4Å
33I95.3Very high95.8Very high69 Ų69103 Ų10335%0.35451%0.514SS..PPolyproline II helixtrans-74121.8171.1-60.4178000108.4C35 Q62 P64I33-C35 PolarHBondContact O-N 3.49Å; I33-Q62 PolarHBondContact N-O 3.48Å; I33-P64 HydrophobicContact CD1-CB 4.15Å
34K93.9Very high95.7Very high204 Ų204106 Ų10689%0.88753%0.525SS*.  trans-76112.9170.9-66.4-177.5-178.71770108.7I32I32-K34 PolarHBondContact O-N 3.39Å
35C92.4Very high95.6Very high32 Ų32106.1 Ų106.122%0.21655%0.546CS..  trans-140.1155.9174.667.60000110.1I33 L37 L61I33-C35 PolarHBondContact O-N 3.49Å; C35-L37 PolarHBondContact O-N 3.11Å; C35-L61 PolarHBondContact SG-O 3.16Å
36Q93.3Very high95.6Very high185 Ų185105.8 Ų105.886%0.86453%0.528SS*.  trans-78.1110.9168.7-68.9-169.8-11.100108.7
37L95.3Very high95.6Very high60 Ų60105 Ų10531%0.31453%0.532SS..  trans-69.3141.2175.6-68.1177.7000110.5C35 F41 K58 L61 Q62C35-L37 PolarHBondContact O-N 3.11Å; L37-F41 HydrophobicContact CB-CZ 4.45Å; L37-F41 HydrophobicContact CD2-CE1 4.42Å; L37-F41 HydrophobicContact CD2-CZ 4.47Å; L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; L37-L61 HydrophobicContact CD2-CB 4.06Å; L37-L61 HydrophobicContact CD2-CD1 4.18Å; L37-Q62 HydrophobicContact CD2-CG 4.02Å
38P94.8Very high95.6Very high33 Ų33104.9 Ų104.921%0.21452%0.524CS..  trans-68.3146.4178.831.4-37.1000110.5R40 F41 L61P38-R40 WeakPolarHBondContact CB-O 3.33Å; P38-R40 PolarHBondContact O-N 3.36Å; P38-F41 HydrophobicContact CG-CD1 3.75Å; P38-F41 HydrophobicContact CG-CE1 3.79Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.45Å; P38-L61 HydrophobicContact CG-CD1 4.46Å
39K93.7Very high95.6Very high219 Ų219103.9 Ų103.995%0.95252%0.517SS*.SBendtrans-63.1-28.2174.2-65.7-176.8-179.9179.70112.6
40R94.9Very high95.7Very high203 Ų20399.2 Ų99.277%0.76650%0.498SS*.  trans-131.6127.4175.1-67.9-174.2-178.4-170.21.2109.1P38P38-R40 WeakPolarHBondContact CB-O 3.33Å; P38-R40 PolarHBondContact O-N 3.36Å
41F96.6Very high95.9Very high33 Ų33101.2 Ų101.215%0.14550%0.503CS..  trans-80.9-27.9-179.7-73.4-78.5000113.3L37 P38 A43 L49 V54 V57 K58 L61 T82 H86L37-F41 HydrophobicContact CB-CZ 4.45Å; L37-F41 HydrophobicContact CD2-CE1 4.42Å; L37-F41 HydrophobicContact CD2-CZ 4.47Å; P38-F41 HydrophobicContact CG-CD1 3.75Å; P38-F41 HydrophobicContact CG-CE1 3.79Å; P38-F41 HydrophobicContact CG-CG 4.39Å; P38-F41 HydrophobicContact CG-CZ 4.45Å; F41-A43 PolarHBondContact O-N 3.29Å; F41-L49 HydrophobicContact CB-CD1 4.44Å; F41-V54 HydrophobicContact CB-CG1 4.32Å; F41-V54 HydrophobicContact CB-CG2 4.37Å; F41-V54 HydrophobicContact CD2-CG1 3.68Å; F41-V54 HydrophobicContact CE2-CG1 4.27Å; F41-V54 HydrophobicContact CG-CG1 4.11Å; F41-V57 HydrophobicContact CD1-CB 4.12Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.31Å; F41-K58 HydrophobicContact CE1-CB 3.85Å; F41-K58 HydrophobicContact CE1-CG 4.38Å; F41-K58 HydrophobicContact CE2-CB 4.44Å; F41-K58 HydrophobicContact CZ-CB 3.71Å; F41-K58 HydrophobicContact CZ-CD 4.32Å; F41-K58 HydrophobicContact CZ-CG 3.9Å; F41-L61 HydrophobicContact CE1-CD1 4.24Å; F41-T82 WeakPolarHBondContact O-CG2 3.33Å; F41-H86 PolarHBondContact O-NE2 3.46Å
42T94.8Very high96Very high37 Ų37101.6 Ų101.623%0.22751%0.509CS..SBendtrans-64.2128.1175-64.70000111Y48 L49T42-Y48 HydrophobicContact CG2-CD1 4.06Å; T42-Y48 HydrophobicContact CG2-CE1 4.48Å; T42-L49 PolarHBondContact OG1-N 2.91Å
43A96.9Very high96.1Very high3 Ų396.5 Ų96.53%0.02548%0.482CS..PPolyproline II helixtrans-77.1149.4175.100000111.4F41 G45 L46 T82 Y85F41-A43 PolarHBondContact O-N 3.29Å; A43-G45 PolarHBondContact O-N 3.43Å; A43-L46 HydrophobicContact CB-CB 4.36Å; A43-L46 HydrophobicContact CB-CD1 3.86Å; A43-L46 HydrophobicContact CB-CG 4.18Å; A43-L46 PolarHBondContact O-N 2.92Å; A43-T82 HydrophobicContact CB-CG2 4.18Å; A43-Y85 HydrophobicContact CB-CD1 3.61Å; A43-Y85 HydrophobicContact CB-CD2 4.11Å; A43-Y85 HydrophobicContact CB-CE1 4.11Å; A43-Y85 HydrophobicContact CB-CG 3.62Å
44Q96.1Very high96.3Very high169 Ų16995.3 Ų95.379%0.7948%0.478SS*.THydrogen-bonded Turntrans-61.4132.9174.5-173.8177.910.400110.7L46Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 3.43Å
45G96.6Very high96.5Very high82 Ų8292.6 Ų92.685%0.84546%0.463SS*.THydrogen-bonded Turntrans80.31.3-179.700000115A43A43-G45 PolarHBondContact O-N 3.43Å
46L97.6Very high96.8Very high59 Ų5991.9 Ų91.931%0.30946%0.46SS..SBendtrans-109.3155.9173.7-64.3-173000111.8A43 Q44 V78 A81 T82A43-L46 HydrophobicContact CB-CB 4.36Å; A43-L46 HydrophobicContact CB-CD1 3.86Å; A43-L46 HydrophobicContact CB-CG 4.18Å; A43-L46 PolarHBondContact O-N 2.92Å; Q44-L46 VanDerWaalsContact C-N 3.28Å; Q44-L46 PolarHBondContact O-N 3.43Å; L46-V78 HydrophobicContact CB-CG1 4.45Å; L46-A81 HydrophobicContact CD1-CB 3.68Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.34Å
47P97.8Very high97Very high79 Ų7983.1 Ų83.151%0.51342%0.419SS..PPolyproline II helixtrans-55.7152.9173.3-25.334.5000113L49 V78P47-L49 PolarHBondContact O-N 3.21Å; P47-V78 HydrophobicContact CG-CG1 4.46Å; P47-V78 HydrophobicContact CG-CG2 4.43Å
48Y97.8Very high97.1Very high196 Ų19684.8 Ų84.877%0.76942%0.424SS*.PPolyproline II helixtrans-59.4138.3171.9-75.1-74.6000111T42T42-Y48 HydrophobicContact CG2-CD1 4.06Å; T42-Y48 HydrophobicContact CG2-CE1 4.48Å
49L98.1Very high97.3Very high20 Ų2084.3 Ų84.311%0.10542%0.421CS..PPolyproline II helixtrans-84.1138.5178.8-62.2-170.8000109.4F41 T42 P47 Q53 V54 V57 V78 T82F41-L49 HydrophobicContact CB-CD1 4.44Å; T42-L49 PolarHBondContact OG1-N 2.91Å; P47-L49 PolarHBondContact O-N 3.21Å; L49-Q53 HydrophobicContact CB-CB 3.96Å; L49-Q53 HydrophobicContact CD1-CB 4.39Å; L49-Q53 HydrophobicContact CD2-CB 4.13Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; L49-V54 HydrophobicContact CB-CG2 3.66Å; L49-V54 HydrophobicContact CD1-CG2 4.4Å; L49-V57 HydrophobicContact CD1-CG2 3.68Å; L49-V78 HydrophobicContact CD2-CG1 3.91Å; L49-T82 HydrophobicContact CD1-CG2 3.85Å
50N97.8Very high97.5Very high81 Ų8175.2 Ų75.243%0.43338%0.383SS..  trans-77.9177.21687031.7000111S52 Q53 V54N50-S52 PolarHBondContact O-N 3.28Å; N50-S52 PolarHBondContact OD1-N 3.12Å; N50-S52 VanDerWaalsContact OD1-N 3.16Å; N50-S52 PolarHBondContact OD1-OG 3.18Å; N50-Q53 PolarHBondContact O-N 3.43Å; N50-Q53 VanDerWaalsContact OD1-CG 3.25Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.16Å; N50-V54 WeakPolarHBondContact O-CG2 3.34Å; N50-V54 PolarHBondContact O-N 2.94Å
51H97.9Very high97.6Very high162 Ų16265.8 Ų65.875%0.7535%0.348SS*.Hα-helixtrans-57.4-45.1-176.1-175.478000113.8Q53 V54 Y55H51-Q53 PolarHBondContact O-N 2.96Å; H51-V54 PolarHBondContact O-N 2.95Å; H51-Y55 WeakPolarHBondContact O-CB 3.5Å; H51-Y55 PolarHBondContact O-N 2.93Å
52S98.2Very high97.6Very high79 Ų7966.9 Ų66.955%0.55235%0.354SS*.Hα-helixtrans-69.7-34.6-178.159.90000112.2N50 Y55 A56N50-S52 PolarHBondContact O-N 3.28Å; N50-S52 PolarHBondContact OD1-N 3.12Å; N50-S52 VanDerWaalsContact OD1-N 3.16Å; N50-S52 PolarHBondContact OD1-OG 3.18Å; S52-Y55 PolarHBondContact O-N 2.93Å; S52-A56 WeakPolarHBondContact O-CB 3.48Å; S52-A56 PolarHBondContact O-N 3.28Å
53Q98.5Very high97.8Very high21 Ų2171.2 Ų71.210%0.09837%0.366CS..Hα-helixtrans-69.5-42.9174.8-65.2167.9-18.600111.3L49 N50 H51 Y55 A56 V57 T74 T79L49-Q53 HydrophobicContact CB-CB 3.96Å; L49-Q53 HydrophobicContact CD1-CB 4.39Å; L49-Q53 HydrophobicContact CD2-CB 4.13Å; L49-Q53 HydrophobicContact CG-CB 4.38Å; N50-Q53 PolarHBondContact O-N 3.43Å; N50-Q53 VanDerWaalsContact OD1-CG 3.25Å; N50-Q53 WeakPolarHBondContact OD1-CG 3.36Å; N50-Q53 PolarHBondContact OD1-N 3.16Å; H51-Q53 PolarHBondContact O-N 2.96Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.21Å; Q53-A56 WeakPolarHBondContact O-CB 3.39Å; Q53-A56 PolarHBondContact O-N 3.36Å; Q53-V57 WeakPolarHBondContact O-CG2 3.49Å; Q53-V57 PolarHBondContact O-N 3.44Å; Q53-T74 PolarHBondContact NE2-O 3.46Å; Q53-T79 HydrophobicContact CB-CG2 4.48Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.43Å
54V98.4Very high97.8Very high45 Ų4572.7 Ų72.727%0.27338%0.375SS..Hα-helixtrans-58.6-45173.2170.60000110.8F41 L49 N50 H51 A56 V57 K58F41-V54 HydrophobicContact CB-CG1 4.32Å; F41-V54 HydrophobicContact CB-CG2 4.37Å; F41-V54 HydrophobicContact CD2-CG1 3.68Å; F41-V54 HydrophobicContact CE2-CG1 4.27Å; F41-V54 HydrophobicContact CG-CG1 4.11Å; L49-V54 HydrophobicContact CB-CG2 3.66Å; L49-V54 HydrophobicContact CD1-CG2 4.4Å; N50-V54 WeakPolarHBondContact O-CG2 3.34Å; N50-V54 PolarHBondContact O-N 2.94Å; H51-V54 PolarHBondContact O-N 2.95Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.38Å; V54-V57 PolarHBondContact O-N 3.48Å; V54-K58 WeakPolarHBondContact O-CB 3.41Å; V54-K58 PolarHBondContact O-N 3.4Å
55Y98.3Very high97.8Very high146 Ų14668.3 Ų68.357%0.57336%0.357SS*.Hα-helixtrans-60.3-43.5176.1178.7-98.9000112H51 S52 Q53 K58 T59H51-Y55 WeakPolarHBondContact O-CB 3.5Å; H51-Y55 PolarHBondContact O-N 2.93Å; S52-Y55 PolarHBondContact O-N 2.93Å; Q53-Y55 VanDerWaalsContact C-N 3.31Å; Q53-Y55 PolarHBondContact O-N 3.21Å; Y55-K58 PolarHBondContact O-N 2.93Å; Y55-T59 WeakPolarHBondContact O-CB 3.44Å; Y55-T59 PolarHBondContact O-N 3.5Å; Y55-T59 PolarHBondContact O-OG1 2.97Å
56A98.5Very high97.9Very high18 Ų1866.4 Ų66.415%0.14933%0.33CS..Hα-helixtrans-60.9-49.6176.300000111.6S52 Q53 V54 K58 T59 V60 T79S52-A56 WeakPolarHBondContact O-CB 3.48Å; S52-A56 PolarHBondContact O-N 3.28Å; Q53-A56 WeakPolarHBondContact O-CB 3.39Å; Q53-A56 PolarHBondContact O-N 3.36Å; V54-A56 VanDerWaalsContact C-N 3.34Å; V54-A56 PolarHBondContact O-N 3.38Å; A56-K58 PolarHBondContact O-N 3.46Å; A56-T59 PolarHBondContact O-N 2.76Å; A56-V60 WeakPolarHBondContact O-CB 3.11Å; A56-V60 WeakPolarHBondContact O-CG2 3.45Å; A56-V60 PolarHBondContact O-N 3.35Å; A56-T79 HydrophobicContact CB-CG2 4.05Å
57V98.2Very high98Very high0 Ų071.9 Ų71.90%036%0.359CS..Hα-helixtrans-59.1-49.3178.3179.60000110.7F41 L49 Q53 V54 T59 V60 L61 T79 T82 I83F41-V57 HydrophobicContact CD1-CB 4.12Å; F41-V57 HydrophobicContact CD1-CG1 3.64Å; F41-V57 HydrophobicContact CE1-CG1 4.31Å; L49-V57 HydrophobicContact CD1-CG2 3.68Å; Q53-V57 WeakPolarHBondContact O-CG2 3.49Å; Q53-V57 PolarHBondContact O-N 3.44Å; V54-V57 PolarHBondContact O-N 3.48Å; V57-T59 VanDerWaalsContact C-N 3.34Å; V57-T59 PolarHBondContact O-N 3.09Å; V57-V60 PolarHBondContact O-N 3.32Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CG 2.88Å; V57-L61 PolarHBondContact O-N 2.95Å; V57-L61 VanDerWaalsContact O-N 3.11Å; V57-T79 HydrophobicContact CG2-CG2 4.03Å; V57-T82 HydrophobicContact CG1-CG2 4.33Å; V57-T82 HydrophobicContact CG2-CG2 4.03Å; V57-I83 HydrophobicContact CB-CG1 4.32Å; V57-I83 HydrophobicContact CG1-CG1 4.23Å; V57-I83 HydrophobicContact CG2-CG1 4.01Å
58K98.1Very high98Very high96 Ų9671.5 Ų71.542%0.41735%0.352SS..Hα-helixtrans-57.2-47.1179.1-178.6-178.8176.2-174.40111.8L37 F41 V54 Y55 A56 L61L37-K58 HydrophobicContact CD1-CD 4.48Å; L37-K58 HydrophobicContact CD1-CG 4.07Å; F41-K58 HydrophobicContact CE1-CB 3.85Å; F41-K58 HydrophobicContact CE1-CG 4.38Å; F41-K58 HydrophobicContact CE2-CB 4.44Å; F41-K58 HydrophobicContact CZ-CB 3.71Å; F41-K58 HydrophobicContact CZ-CD 4.32Å; F41-K58 HydrophobicContact CZ-CG 3.9Å; V54-K58 WeakPolarHBondContact O-CB 3.41Å; V54-K58 PolarHBondContact O-N 3.4Å; Y55-K58 PolarHBondContact O-N 2.93Å; A56-K58 PolarHBondContact O-N 3.46Å; K58-L61 PolarHBondContact O-N 3.37Å
59T98.1Very high98Very high23 Ų2371.3 Ų71.314%0.14136%0.358CS..Hα-helixtrans-64.8-43.4-177.5-58.20000111.5Y55 A56 V57 L61 Q62 R63Y55-T59 WeakPolarHBondContact O-CB 3.44Å; Y55-T59 PolarHBondContact O-N 3.5Å; Y55-T59 PolarHBondContact O-OG1 2.97Å; A56-T59 PolarHBondContact O-N 2.76Å; V57-T59 VanDerWaalsContact C-N 3.34Å; V57-T59 PolarHBondContact O-N 3.09Å; T59-L61 PolarHBondContact O-N 3.17Å; T59-Q62 PolarHBondContact O-N 2.93Å; T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.38Å; T59-R63 PolarHBondContact O-N 2.97Å
60V98.3Very high97.8Very high28 Ų2871.2 Ų71.217%0.1736%0.361CS..Hα-helixtrans-64.8-40.4-178.9172.70000111.6A56 V57 Q62 R63 I68 I83A56-V60 WeakPolarHBondContact O-CB 3.11Å; A56-V60 WeakPolarHBondContact O-CG2 3.45Å; A56-V60 PolarHBondContact O-N 3.35Å; V57-V60 PolarHBondContact O-N 3.32Å; V60-Q62 PolarHBondContact O-N 3.49Å; V60-Q62 VanDerWaalsContact O-N 3.09Å; V60-R63 PolarHBondContact O-N 3.39Å; V60-I68 HydrophobicContact CG2-CD1 3.76Å; V60-I68 HydrophobicContact CG2-CG1 4.09Å; V60-I83 HydrophobicContact CB-CD1 4.09Å; V60-I83 HydrophobicContact CB-CG1 4.38Å; V60-I83 HydrophobicContact CG1-CD1 4.05Å; V60-I83 HydrophobicContact CG1-CG1 4.29Å; V60-I83 HydrophobicContact CG1-CG2 3.67Å; V60-I83 HydrophobicContact CG2-CD1 3.92Å
61L97.2Very high97.8Very high4 Ų471.5 Ų71.52%0.02137%0.368CS..THydrogen-bonded Turntrans-63.8-16.3178.8-68.5177.7000113.6C35 L37 P38 F41 V57 K58 T59 H86 L87C35-L61 PolarHBondContact SG-O 3.16Å; L37-L61 HydrophobicContact CD2-CB 4.06Å; L37-L61 HydrophobicContact CD2-CD1 4.18Å; P38-L61 HydrophobicContact CG-CD1 4.46Å; F41-L61 HydrophobicContact CE1-CD1 4.24Å; V57-L61 HydrophobicContact CG1-CD1 4.11Å; V57-L61 HydrophobicContact CG1-CG 4.44Å; V57-L61 WeakPolarHBondContact O-CG 2.88Å; V57-L61 PolarHBondContact O-N 2.95Å; V57-L61 VanDerWaalsContact O-N 3.11Å; K58-L61 PolarHBondContact O-N 3.37Å; T59-L61 PolarHBondContact O-N 3.17Å; L61-H86 HydrophobicContact CD1-CB 4.01Å; L61-H86 HydrophobicContact CD2-CB 4.02Å; L61-L87 HydrophobicContact CD2-CD2 3.74Å; L61-L87 HydrophobicContact CD2-CG 3.94Å
62Q97.3Very high97.7Very high57 Ų5769.9 Ų69.927%0.26637%0.372SS..THydrogen-bonded Turntrans-111.72.5-176.4-59.9-170.7-8500113.3I32 I33 L37 T59 V60I32-Q62 CarbonylContact C-O 3.6Å; I32-Q62 WeakPolarHBondContact CA-O 3.47Å; I32-Q62 HydrophobicContact CG2-CB 4.4Å; I33-Q62 PolarHBondContact N-O 3.48Å; L37-Q62 HydrophobicContact CD2-CG 4.02Å; T59-Q62 PolarHBondContact O-N 2.93Å; V60-Q62 PolarHBondContact O-N 3.49Å; V60-Q62 VanDerWaalsContact O-N 3.09Å
63R97.4Very high97.6Very high128 Ų12870.3 Ų70.348%0.48339%0.388SS..  trans-126.8136.3-176.8-70.4-173.9178.4-174-4.4111.4T59 V60 L65T59-R63 HydrophobicContact CG2-CG 4.48Å; T59-R63 WeakPolarHBondContact O-CG 3.38Å; T59-R63 PolarHBondContact O-N 2.97Å; V60-R63 PolarHBondContact O-N 3.39Å; R63-L65 PolarHBondContact O-N 3.44Å
64P96.8Very high97.5Very high34 Ų3472 Ų7222%0.22140%0.4CS..SBendtrans-68.7-22.2176.829-37.1000113.6Y18 V31 I33Y18-P64 HydrophobicContact CD1-CB 3.87Å; Y18-P64 HydrophobicContact CD1-CG 3.39Å; Y18-P64 HydrophobicContact CD2-CG 4.48Å; Y18-P64 HydrophobicContact CE1-CB 4.13Å; Y18-P64 HydrophobicContact CE1-CG 3.27Å; Y18-P64 HydrophobicContact CE2-CG 4.35Å; Y18-P64 HydrophobicContact CG-CG 4.02Å; V31-P64 HydrophobicContact CB-CG 4.29Å; V31-P64 VanDerWaalsContact O-CD 3.32Å; V31-P64 WeakPolarHBondContact O-CD 3.45Å; I33-P64 HydrophobicContact CD1-CB 4.15Å
65L97.9Very high97.5Very high77 Ų7770.9 Ų70.940%0.40340%0.398SS..SBendtrans-140.1132.1174.4-176.862.5000109.3Y18 K22 R63Y18-L65 HydrophobicContact CE1-CB 4.33Å; K22-L65 HydrophobicContact CB-CD2 4.05Å; R63-L65 PolarHBondContact O-N 3.44Å
66S98.1Very high97.4Very high41 Ų4168 Ų6829%0.28739%0.388SS..  trans-143.3141.9178.2-70.30000110.4
67L98.3Very high97.4Very high174 Ų17472.8 Ų72.891%0.91142%0.416SS*.  trans-112.8125.9170.9-71.9166.3000108.5
68I97.9Very high97.4Very high71 Ų7174.6 Ų74.636%0.36443%0.427SS..  trans-111.4122.8176.4-54.6175.1000108.1V60 I83V60-I68 HydrophobicContact CG2-CD1 3.76Å; V60-I68 HydrophobicContact CG2-CG1 4.09Å; I68-I83 HydrophobicContact CD1-CD1 3.43Å; I68-I83 VanDerWaalsContact CD1-CD1 3.43Å
69Q97.8Very high97.4Very high193 Ų19370.3 Ų70.390%0.90241%0.409SS*.  trans-115.1141.4175.1-173.7-174.2-3.500110
70G95.6Very high97.4Very high17 Ų1772 Ų7218%0.17542%0.421CS..  trans-160.5138.2172.900000112T74 K76G70-T74 VanDerWaalsContact C-OG1 3.31Å; G70-T74 WeakPolarHBondContact CA-OG1 3.46Å; G70-K76 WeakPolarHBondContact O-CD 3.43Å; G70-K76 WeakPolarHBondContact O-CE 3.37Å; G70-K76 PolarHBondContact O-NZ 3.43Å
71P96.4Very high97.5Very high88 Ų8872.6 Ų72.657%0.57143%0.429SS*.  trans-53.5168.5170.8-27.431.8000114.1T74 K76P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.14Å; P71-T74 WeakPolarHBondContact O-CB 3.31Å; P71-T74 WeakPolarHBondContact O-CG2 3.38Å; P71-T74 PolarHBondContact O-N 3.35Å; P71-T74 PolarHBondContact O-OG1 3.48Å; P71-K76 PolarHBondContact O-NZ 3.14Å; P71-K76 VanDerWaalsContact O-NZ 3.1Å
72P97.3Very high97.5Very high127 Ų12772.4 Ų72.483%0.82543%0.428SS*.THydrogen-bonded Turntrans-52.2142.2169.2-24.735.2000111.6T74P72-T74 VanDerWaalsContact C-N 3.27Å; P72-T74 PolarHBondContact O-N 3.09Å
73G95.7Very high97.5Very high88 Ų8870.3 Ų70.391%0.90742%0.419SS*.THydrogen-bonded Turntrans76.5-3.8179.600000116.7G75G73-G75 PolarHBondContact O-N 3.19Å; G73-G75 VanDerWaalsContact O-N 3.14Å
74T96.4Very high97.6Very high56 Ų5668.7 Ų68.734%0.34442%0.423SS..SBendtrans-80.911.8-175.757.90000115.8Q53 G70 P71 P72Q53-T74 PolarHBondContact NE2-O 3.46Å; G70-T74 VanDerWaalsContact C-OG1 3.31Å; G70-T74 WeakPolarHBondContact CA-OG1 3.46Å; P71-T74 HydrophobicContact CB-CG2 3.87Å; P71-T74 HydrophobicContact CG-CG2 4.14Å; P71-T74 WeakPolarHBondContact O-CB 3.31Å; P71-T74 WeakPolarHBondContact O-CG2 3.38Å; P71-T74 PolarHBondContact O-N 3.35Å; P71-T74 PolarHBondContact O-OG1 3.48Å; P72-T74 VanDerWaalsContact C-N 3.27Å; P72-T74 PolarHBondContact O-N 3.09Å
75G97.2Very high97.6Very high22 Ų2270.6 Ų70.623%0.22743%0.427CS..  trans72.328.617500000114.9G73 T77 V78 T79G73-G75 PolarHBondContact O-N 3.19Å; G73-G75 VanDerWaalsContact O-N 3.14Å; G75-T77 VanDerWaalsContact C-N 3.31Å; G75-T77 PolarHBondContact O-N 3.23Å; G75-V78 PolarHBondContact O-N 3.19Å; G75-T79 WeakPolarHBondContact O-CB 3.25Å; G75-T79 PolarHBondContact O-N 3.46Å; G75-T79 PolarHBondContact O-OG1 3.47Å
76K97.8Very high97.5Very high85 Ų8567.6 Ų67.637%0.3741%0.41SS..Hα-helixtrans-50.4-49.1174.1-69.5-172-65.6-69.10112.1G70 P71 V78 T79 S80G70-K76 WeakPolarHBondContact O-CD 3.43Å; G70-K76 WeakPolarHBondContact O-CE 3.37Å; G70-K76 PolarHBondContact O-NZ 3.43Å; P71-K76 PolarHBondContact O-NZ 3.14Å; P71-K76 VanDerWaalsContact O-NZ 3.1Å; K76-V78 PolarHBondContact O-N 3.49Å; K76-T79 WeakPolarHBondContact O-CB 3.44Å; K76-T79 PolarHBondContact O-N 3.28Å; K76-S80 WeakPolarHBondContact O-CB 3.4Å; K76-S80 PolarHBondContact O-N 2.79Å; K76-S80 PolarHBondContact O-OG 2.93Å; K76-S80 VanDerWaalsContact O-OG 3.09Å
77T97.8Very high97.4Very high120 Ų12069.8 Ų69.874%0.73642%0.418SS*.Hα-helixtrans-62.5-42.7179.7-48.90000112.5G75 T79 S80 A81G75-T77 VanDerWaalsContact C-N 3.31Å; G75-T77 PolarHBondContact O-N 3.23Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.81Å; T77-S80 PolarHBondContact O-N 2.96Å; T77-A81 VanDerWaalsContact O-CB 3.31Å; T77-A81 WeakPolarHBondContact O-CB 3.49Å; T77-A81 PolarHBondContact O-N 3.16Å
78V98.3Very high97.3Very high38 Ų3865.3 Ų65.323%0.2341%0.407CS..Hα-helixtrans-63.9-41.4176.4175.50000110.9L46 P47 L49 G75 K76 T82L46-V78 HydrophobicContact CB-CG1 4.45Å; P47-V78 HydrophobicContact CG-CG1 4.46Å; P47-V78 HydrophobicContact CG-CG2 4.43Å; L49-V78 HydrophobicContact CD2-CG1 3.91Å; G75-V78 PolarHBondContact O-N 3.19Å; K76-V78 PolarHBondContact O-N 3.49Å; V78-T82 WeakPolarHBondContact O-CB 3.48Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.41Å
79T98.5Very high97Very high5 Ų570.4 Ų70.43%0.03142%0.421CS..Hα-helixtrans-63.9-47.4176.9-51.60000110.8Q53 A56 V57 G75 K76 T77 T82 I83Q53-T79 HydrophobicContact CB-CG2 4.48Å; Q53-T79 WeakPolarHBondContact CG-OG1 3.43Å; A56-T79 HydrophobicContact CB-CG2 4.05Å; V57-T79 HydrophobicContact CG2-CG2 4.03Å; G75-T79 WeakPolarHBondContact O-CB 3.25Å; G75-T79 PolarHBondContact O-N 3.46Å; G75-T79 PolarHBondContact O-OG1 3.47Å; K76-T79 WeakPolarHBondContact O-CB 3.44Å; K76-T79 PolarHBondContact O-N 3.28Å; T77-T79 VanDerWaalsContact C-N 3.33Å; T77-T79 PolarHBondContact O-N 2.81Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.25Å; T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.46Å; T79-I83 PolarHBondContact O-N 3.23Å
80S98.4Very high96.5Very high58 Ų5863.8 Ų63.841%0.40639%0.39SS..Hα-helixtrans-62.8-44.2176.9-61.50000112.5K76 T77 T82 I83 V84K76-S80 WeakPolarHBondContact O-CB 3.4Å; K76-S80 PolarHBondContact O-N 2.79Å; K76-S80 PolarHBondContact O-OG 2.93Å; K76-S80 VanDerWaalsContact O-OG 3.09Å; T77-S80 PolarHBondContact O-N 2.96Å; S80-T82 PolarHBondContact O-N 2.87Å; S80-I83 WeakPolarHBondContact O-CB 3.42Å; S80-I83 PolarHBondContact O-N 3.23Å; S80-I83 VanDerWaalsContact O-N 3.16Å; S80-V84 WeakPolarHBondContact O-CG2 3.41Å; S80-V84 PolarHBondContact O-N 2.99Å
81A98.4Very high95.1Very high41 Ų4166 Ų6634%0.33941%0.413SS..Hα-helixtrans-61.1-37.2176.100000111.5L46 T77 V84 Y85L46-A81 HydrophobicContact CD1-CB 3.68Å; T77-A81 VanDerWaalsContact O-CB 3.31Å; T77-A81 WeakPolarHBondContact O-CB 3.49Å; T77-A81 PolarHBondContact O-N 3.16Å; A81-V84 PolarHBondContact O-N 3.46Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 3.41Å
82T98.4Very high93.5Very high0 Ų068.7 Ų68.70%042%0.423CS..Hα-helixtrans-67.7-39.3175-57.50000112.5F41 A43 L46 L49 V57 V78 T79 S80 Y85 H86F41-T82 WeakPolarHBondContact O-CG2 3.33Å; A43-T82 HydrophobicContact CB-CG2 4.18Å; L46-T82 WeakPolarHBondContact CD1-OG1 3.34Å; L49-T82 HydrophobicContact CD1-CG2 3.85Å; V57-T82 HydrophobicContact CG1-CG2 4.33Å; V57-T82 HydrophobicContact CG2-CG2 4.03Å; V78-T82 WeakPolarHBondContact O-CB 3.48Å; V78-T82 PolarHBondContact O-N 2.99Å; V78-T82 PolarHBondContact O-OG1 3.41Å; T79-T82 WeakPolarHBondContact O-CB 3.49Å; T79-T82 PolarHBondContact O-N 3.25Å; S80-T82 PolarHBondContact O-N 2.87Å; T82-Y85 PolarHBondContact O-N 2.83Å; T82-H86 PolarHBondContact O-CD2 2.65Å; T82-H86 PolarHBondContact O-N 3.23Å; T82-H86 VanDerWaalsContact O-N 3.16Å
83I98.1Very high91.1Very high13 Ų1369.6 Ų69.67%0.06746%0.455CS..Hα-helixtrans-60.1-51.5173.7-70.4160.9000110.2V57 V60 I68 T79 S80 Y85 H86 L87V57-I83 HydrophobicContact CB-CG1 4.32Å; V57-I83 HydrophobicContact CG1-CG1 4.23Å; V57-I83 HydrophobicContact CG2-CG1 4.01Å; V60-I83 HydrophobicContact CB-CD1 4.09Å; V60-I83 HydrophobicContact CB-CG1 4.38Å; V60-I83 HydrophobicContact CG1-CD1 4.05Å; V60-I83 HydrophobicContact CG1-CG1 4.29Å; V60-I83 HydrophobicContact CG1-CG2 3.67Å; V60-I83 HydrophobicContact CG2-CD1 3.92Å; I68-I83 HydrophobicContact CD1-CD1 3.43Å; I68-I83 VanDerWaalsContact CD1-CD1 3.43Å; T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.46Å; T79-I83 PolarHBondContact O-N 3.23Å; S80-I83 WeakPolarHBondContact O-CB 3.42Å; S80-I83 PolarHBondContact O-N 3.23Å; S80-I83 VanDerWaalsContact O-N 3.16Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 3.5Å; I83-H86 PolarHBondContact O-N 2.93Å; I83-L87 HydrophobicContact CG2-CD1 3.76Å; I83-L87 HydrophobicContact CG2-CG 4.29Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 3.26Å
84V97.6Very high90.9Very high94 Ų9468.7 Ų68.757%0.5743%0.433SS*.Hα-helixtrans-59.7-42.7179.7173.50000111S80 A81 H86 L87 A88S80-V84 WeakPolarHBondContact O-CG2 3.41Å; S80-V84 PolarHBondContact O-N 2.99Å; A81-V84 PolarHBondContact O-N 3.46Å; V84-H86 VanDerWaalsContact C-N 3.32Å; V84-H86 PolarHBondContact O-N 3.35Å; V84-L87 PolarHBondContact O-N 3.34Å; V84-A88 WeakPolarHBondContact O-CB 3.5Å; V84-A88 PolarHBondContact O-N 3.09Å
85Y97.4Very high90.6Very high75 Ų7569.4 Ų69.429%0.29444%0.437SS..Hα-helixtrans-55.1-45.8175.9173.6-91.7000112.4A43 A81 T82 I83 R89A43-Y85 HydrophobicContact CB-CD1 3.61Å; A43-Y85 HydrophobicContact CB-CD2 4.11Å; A43-Y85 HydrophobicContact CB-CE1 4.11Å; A43-Y85 HydrophobicContact CB-CG 3.62Å; A81-Y85 WeakPolarHBondContact O-CB 3.49Å; A81-Y85 PolarHBondContact O-N 3.41Å; T82-Y85 PolarHBondContact O-N 2.83Å; I83-Y85 VanDerWaalsContact C-N 3.3Å; I83-Y85 PolarHBondContact O-N 3.5Å; Y85-R89 VanDerWaalsContact CE1-CD 3.48Å; Y85-R89 VanDerWaalsContact CZ-CD 3.45Å; Y85-R89 VanDerWaalsContact O-CG 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 3.47Å; Y85-R89 PolarHBondContact O-N 2.96Å
86H96.9Very high90.2Very high14 Ų1472 Ų727%0.06545%0.449CS..Hα-helixtrans-73.3-39.9179.4-69.8-56.5000112.6F41 L61 T82 I83 V84 A88 R89 Q90F41-H86 PolarHBondContact O-NE2 3.46Å; L61-H86 HydrophobicContact CD1-CB 4.01Å; L61-H86 HydrophobicContact CD2-CB 4.02Å; T82-H86 PolarHBondContact O-CD2 2.65Å; T82-H86 PolarHBondContact O-N 3.23Å; T82-H86 VanDerWaalsContact O-N 3.16Å; I83-H86 PolarHBondContact O-N 2.93Å; V84-H86 VanDerWaalsContact C-N 3.32Å; V84-H86 PolarHBondContact O-N 3.35Å; H86-A88 PolarHBondContact O-N 2.76Å; H86-R89 PolarHBondContact O-N 3.2Å; H86-Q90 WeakPolarHBondContact O-CG 3.31Å; H86-Q90 PolarHBondContact O-N 2.89Å
87L95.6Very high89.8Confident86 Ų8671.2 Ų71.245%0.4545%0.454SS..Hα-helixtrans-60.1-45.3176.4-72.2173.8000111.6L61 I83 V84 R89 Q90L61-L87 HydrophobicContact CD2-CD2 3.74Å; L61-L87 HydrophobicContact CD2-CG 3.94Å; I83-L87 HydrophobicContact CG2-CD1 3.76Å; I83-L87 HydrophobicContact CG2-CG 4.29Å; I83-L87 WeakPolarHBondContact O-CG 3.44Å; I83-L87 PolarHBondContact O-N 3.26Å; V84-L87 PolarHBondContact O-N 3.34Å; L87-R89 PolarHBondContact O-N 3.1Å; L87-Q90 PolarHBondContact O-N 3.35Å; L87-Q90 VanDerWaalsContact O-N 3.12Å
88A94.8Very high89.3Confident81 Ų8168.2 Ų68.267%0.66944%0.436SS*.Hα-helixtrans-60.7-28.1178.300000113V84 H86V84-A88 WeakPolarHBondContact O-CB 3.5Å; V84-A88 PolarHBondContact O-N 3.09Å; H86-A88 PolarHBondContact O-N 2.76Å
89R92.9Very high88.7Confident177 Ų17770.2 Ų70.267%0.66845%0.45SS*.Hα-helixtrans-87.8-10.1-179.8-69.3175.562.678.25.7114.1Y85 H86 L87 G91Y85-R89 VanDerWaalsContact CE1-CD 3.48Å; Y85-R89 VanDerWaalsContact CZ-CD 3.45Å; Y85-R89 VanDerWaalsContact O-CG 3.31Å; Y85-R89 WeakPolarHBondContact O-CG 3.47Å; Y85-R89 PolarHBondContact O-N 2.96Å; H86-R89 PolarHBondContact O-N 3.2Å; L87-R89 PolarHBondContact O-N 3.1Å; R89-G91 VanDerWaalsContact C-N 3.26Å
90Q87Confident87.9Confident54 Ų5474.9 Ų74.925%0.25248%0.48SS..THydrogen-bonded Turntrans-77.2-13.7175.5-73179.28.900112.7H86 L87 N92H86-Q90 WeakPolarHBondContact O-CG 3.31Å; H86-Q90 PolarHBondContact O-N 2.89Å; L87-Q90 PolarHBondContact O-N 3.35Å; L87-Q90 VanDerWaalsContact O-N 3.12Å; Q90-N92 VanDerWaalsContact C-N 3.25Å; Q90-N92 PolarHBondContact O-N 3.45Å
91G67.3Low87.1Confident63 Ų6376.2 Ų76.265%0.64949%0.485SS*.  trans69.31717200000115.2R89 G93R89-G91 VanDerWaalsContact C-N 3.26Å; G91-G93 VanDerWaalsContact C-N 3.28Å; G91-G93 PolarHBondContact O-N 3.14Å
92N62.3Low86.2Confident146 Ų14679.1 Ų79.178%0.78150%0.498SS*.  trans-93.732.7177.7-67.5-22.7000112.5Q90Q90-N92 VanDerWaalsContact C-N 3.25Å; Q90-N92 PolarHBondContact O-N 3.45Å
93G46.1Very low85.1Confident146 Ų14686.3 Ų86.3100%1.50554%0.543SS*.  trans-98.80176.500000111.5G91G91-G93 VanDerWaalsContact C-N 3.28Å; G91-G93 PolarHBondContact O-N 3.14Å

Retrieved 93 of 93 residues in 27.2 ms (Link to these results)