A0A077YVE1_TRITR Loading...

Transcription initiation factor TFIID subunit 13

AlphaFold DB , UniProt , Accession A0A077YVE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 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
1M46.9Very low46Very low246 Ų246138.2 Ų138.2100%1.21282%0.815SS**  0112.40-76.4175.8173.500105.9
2E42.7Very low46.9Very low200 Ų200134.6 Ų134.694%0.93581%0.812SS**  trans-62.6135.8-172.3-70.1178.814800111.2G4E2-G4 PolarHBondContact O-N 3.39Å
3G40Very low48Very low74 Ų74137 Ų13776%0.76381%0.809SS**  trans-67.2121.1-177.300000110.6E5G3-E5 PolarHBondContact O-N 3.29Å; G3-E5 VanDerWaalsContact O-N 3.09Å
4G46.2Very low49.1Very low73 Ų73140.8 Ų140.875%0.75381%0.814SS**  trans-64.2107.4168.300000109.3E2 S6E2-G4 PolarHBondContact O-N 3.39Å; G4-S6 PolarHBondContact O-N 3.03Å
5E46.5Very low50.9Low190 Ų190142 Ų14289%0.88880%0.8SS**  trans-58.8107.3164-68.7-175.1157.300107.5G3 F7G3-E5 PolarHBondContact O-N 3.29Å; G3-E5 VanDerWaalsContact O-N 3.09Å; E5-F7 VanDerWaalsContact C-N 3.34Å; E5-F7 PolarHBondContact O-N 3Å
6S44Very low53.2Low116 Ų116143.1 Ų143.181%0.81179%0.793SS**  trans-65.599.4171.8-62.40000106.8G4 N8G4-S6 PolarHBondContact O-N 3.03Å; S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.46Å
7F43.4Very low55.4Low198 Ų198139.5 Ų139.587%0.86877%0.765SS**  trans-60101.3171.4-157.3-97000106.3E5 S9E5-F7 VanDerWaalsContact C-N 3.34Å; E5-F7 PolarHBondContact O-N 3Å; F7-S9 PolarHBondContact O-N 3.44Å
8N46.8Very low57.5Low138 Ų138140.2 Ų140.274%0.73876%0.755SS**  trans-62.794176-170.622.1000106S6 S10S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.46Å; N8-S10 PolarHBondContact O-N 2.99Å
9S48Very low59.6Low98 Ų98135.4 Ų135.469%0.68573%0.729SS**  trans-65.981.7160.275.10000104.3F7 S11F7-S9 PolarHBondContact O-N 3.44Å; S9-S11 PolarHBondContact O-N 3.42Å
10S49.4Very low61.4Low92 Ų92130.8 Ų130.864%0.64371%0.706SS**  trans-45.5108.7156.547.90000103.6N8 A12N8-S10 PolarHBondContact O-N 2.99Å; S10-A12 PolarHBondContact O-N 2.67Å
11S51.9Low63Low95 Ų95132.1 Ų132.166%0.66471%0.705SS**  trans-36121.7176.646.10000105.7S9 E13S9-S11 PolarHBondContact O-N 3.42Å; S11-E13 WeakPolarHBondContact O-CA 3.4Å; S11-E13 PolarHBondContact O-N 3.27Å
12A57.3Low65.4Low95 Ų95125.3 Ų125.379%0.78567%0.671SS**  trans-57.385175.300000106.2S10 H14S10-A12 PolarHBondContact O-N 2.67Å; A12-H14 PolarHBondContact O-N 2.98Å
13E60.3Low68Low166 Ų166116.1 Ų116.178%0.77663%0.628SS**  trans-60.4115.8-169.5-173.1169.3-164.100102.7S11 R15S11-E13 WeakPolarHBondContact O-CA 3.4Å; S11-E13 PolarHBondContact O-N 3.27Å; E13-R15 WeakPolarHBondContact O-CG 2.82Å; E13-R15 PolarHBondContact O-N 3.28Å
14H64.2Low70.8Confident190 Ų190116.2 Ų116.288%0.8861%0.605SS**  trans-52.589.9-168.9-75.3-76.9000109A12 K16A12-H14 PolarHBondContact O-N 2.98Å; H14-K16 PolarHBondContact O-N 3.21Å; H14-K16 VanDerWaalsContact O-N 3.08Å
15R76.3Confident73.2Confident159 Ų159117 Ų11760%0.660%0.598SS**PPolyproline II helixtrans-68.4116.8-176.8-78.3-155.1-76.1-100.41.7104.7E13 R17 D46E13-R15 WeakPolarHBondContact O-CG 2.82Å; E13-R15 PolarHBondContact O-N 3.28Å; R15-R17 PolarHBondContact O-N 3.06Å; R15-R17 VanDerWaalsContact O-N 3.1Å; R15-D46 IonicContact CZ-OD1 3.78Å; R15-D46 IonicContact CZ-OD2 3.51Å; R15-D46 IonicContact NE-OD1 3.01Å; R15-D46 PolarHBondContact NE-OD1 3.17Å; R15-D46 IonicContact NE-OD2 3.46Å; R15-D46 PolarHBondContact NE-OD2 3.35Å; R15-D46 IonicContact NH2-OD1 3.76Å; R15-D46 IonicContact NH2-OD2 2.76Å; R15-D46 PolarHBondContact NH2-OD2 3.27Å
16K87.2Confident75.7Confident159 Ų159112.7 Ų112.769%0.69158%0.579SS**PPolyproline II helixtrans-55.9121.3176.7-70.9-177.9-179.1177.40107.6H14 Y18H14-K16 PolarHBondContact O-N 3.21Å; H14-K16 VanDerWaalsContact O-N 3.08Å; K16-Y18 HydrophobicContact CB-CE2 3.99Å; K16-Y18 WeakPolarHBondContact O-CD2 3.34Å; K16-Y18 WeakPolarHBondContact O-CE2 3.39Å
17R91.2Very high78.3Confident82 Ų82108.2 Ų108.231%0.30955%0.546SS..PPolyproline II helixtrans-86.3128.1174.7-55.6-56.3-173.3-160.24.9108.6R15 T20 D42 D46R15-R17 PolarHBondContact O-N 3.06Å; R15-R17 VanDerWaalsContact O-N 3.1Å; R17-T20 VanDerWaalsContact CB-OG1 3.23Å; R17-T20 WeakPolarHBondContact CB-OG1 3.37Å; R17-D42 IonicContact CZ-OD2 3.09Å; R17-D42 VanDerWaalsContact NE-CG 3.33Å; R17-D42 IonicContact NE-OD1 2.69Å; R17-D42 IonicContact NE-OD2 3.83Å; R17-D42 PolarHBondContact NE-OD2 3Å; R17-D42 VanDerWaalsContact NE-OD2 3.09Å; R17-D42 IonicContact NH2-OD2 3.4Å; R17-D42 PolarHBondContact NH2-OD2 3.28Å; R17-D46 IonicContact CZ-OD1 3.53Å; R17-D46 IonicContact NH1-OD1 3.98Å; R17-D46 PolarHBondContact NH1-OD1 3.47Å; R17-D46 IonicContact NH1-OD2 2.91Å; R17-D46 IonicContact NH2-OD2 3.89Å
18Y93.4Very high80.9Confident152 Ų152105.3 Ų105.360%0.59653%0.53SS*.SBendtrans-106.3-31.8-172.8-66.6-84.4000112.4K16 D45 I49K16-Y18 HydrophobicContact CB-CE2 3.99Å; K16-Y18 WeakPolarHBondContact O-CD2 3.34Å; K16-Y18 WeakPolarHBondContact O-CE2 3.39Å; Y18-D45 PolarHBondContact N-OD2 3.11Å; Y18-D45 VanDerWaalsContact N-OD2 3.15Å; Y18-I49 HydrophobicContact CD2-CD1 3.82Å; Y18-I49 HydrophobicContact CD2-CG1 4.3Å; Y18-I49 HydrophobicContact CG-CD1 4.31Å
19L96.2Very high83.3Confident50 Ų50102 Ų10226%0.26253%0.529SS..SBendtrans-122.114.9-166-57.2174.3000112.4K21 E22 L23 D45 V48L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.82Å; L19-E22 WeakPolarHBondContact CA-OE2 3.49Å; L19-E22 PolarHBondContact O-N 3.27Å; L19-L23 HydrophobicContact CB-CD1 3.84Å; L19-L23 HydrophobicContact CB-CG 3.82Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.15Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 2.98Å; L19-D45 PolarHBondContact N-OD2 2.81Å; L19-V48 HydrophobicContact CD1-CB 4.31Å; L19-V48 HydrophobicContact CD1-CG1 3.55Å
20T95.4Very high85.6Confident43 Ų43105.5 Ų105.526%0.26453%0.532SS..Hα-helixtrans-52.5-43.7-174.2-57.40000113.1R17 R24 V41R17-T20 VanDerWaalsContact CB-OG1 3.23Å; R17-T20 WeakPolarHBondContact CB-OG1 3.37Å; T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 3.15Å; T20-R24 VanDerWaalsContact O-N 3.16Å; T20-V41 HydrophobicContact CG2-CG1 3.99Å
21K95.9Very high87.9Confident159 Ų159104.4 Ų104.469%0.69154%0.535SS*.Hα-helixtrans-70.6-46.7-176.7-177.2-176.2176.6-174.30110.7L19 R24 C25L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.82Å; K21-R24 PolarHBondContact O-N 2.91Å; K21-C25 PolarHBondContact O-N 3.47Å
22E97.3Very high90.1Very high103 Ų103102.5 Ų102.548%0.48152%0.518SS..Hα-helixtrans-64.2-44.8-179.1-65.269.2-153.800110.6L19 C25 M26L19-E22 WeakPolarHBondContact CA-OE2 3.49Å; L19-E22 PolarHBondContact O-N 3.27Å; E22-C25 PolarHBondContact O-N 2.92Å; E22-M26 VanDerWaalsContact O-CB 3.27Å; E22-M26 WeakPolarHBondContact O-CB 3.27Å; E22-M26 PolarHBondContact O-N 3.18Å
23L98.1Very high92Very high7 Ų7100.6 Ų100.64%0.03750%0.498CS..Hα-helixtrans-67.2-36-180-69178.5000112.5L19 M26 L27 V41 L44 D45 V48L19-L23 HydrophobicContact CB-CD1 3.84Å; L19-L23 HydrophobicContact CB-CG 3.82Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.15Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 2.98Å; L23-M26 HydrophobicContact CD2-SD 4.42Å; L23-M26 PolarHBondContact O-N 3.46Å; L23-L27 WeakPolarHBondContact O-CB 3.14Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 2.79Å; L23-V41 HydrophobicContact CB-CG1 4.15Å; L23-L44 HydrophobicContact CB-CD2 4.44Å; L23-L44 HydrophobicContact CD1-CB 4.23Å; L23-L44 HydrophobicContact CD1-CD2 4.48Å; L23-L44 HydrophobicContact CD1-CG 4.13Å; L23-L44 HydrophobicContact CD2-CD2 3.79Å; L23-L44 HydrophobicContact CD2-CG 3.99Å; L23-L44 HydrophobicContact CG-CD2 4.45Å; L23-D45 VanDerWaalsContact CD1-CA 3.5Å; L23-D45 HydrophobicContact CD1-CB 3.79Å; L23-V48 HydrophobicContact CD2-CG2 4.44Å
24R97.7Very high93.7Very high75 Ų75101 Ų10128%0.28350%0.498SS..Hα-helixtrans-61.1-47.4173.4-78.8177.2-175.1-74.70.9112T20 K21 M26 Y28 P36 T38 V41T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 3.15Å; T20-R24 VanDerWaalsContact O-N 3.16Å; K21-R24 PolarHBondContact O-N 2.91Å; R24-M26 VanDerWaalsContact C-N 3.32Å; R24-Y28 PolarHBondContact O-N 3.39Å; R24-P36 PolarHBondContact NH1-O 3.35Å; R24-T38 PolarHBondContact NH2-OG1 3.18Å; R24-V41 HydrophobicContact CG-CB 4.47Å; R24-V41 HydrophobicContact CG-CG1 4.08Å; R24-V41 HydrophobicContact CG-CG2 3.55Å
25C97.6Very high95.2Very high90 Ų9099.9 Ų99.961%0.60849%0.493SS*.Hα-helixtrans-64.6-39.5176.3-68.40000111.7K21 E22 G29K21-C25 PolarHBondContact O-N 3.47Å; E22-C25 PolarHBondContact O-N 2.92Å; C25-G29 PolarHBondContact O-N 3.02Å
26M97.7Very high96.2Very high99 Ų9992.6 Ų92.649%0.48847%0.466SS..Hα-helixtrans-65.3-48.1179.4-174.3173.4-66.200111.7E22 L23 R24 Y28 G29 F30E22-M26 VanDerWaalsContact O-CB 3.27Å; E22-M26 WeakPolarHBondContact O-CB 3.27Å; E22-M26 PolarHBondContact O-N 3.18Å; L23-M26 HydrophobicContact CD2-SD 4.42Å; L23-M26 PolarHBondContact O-N 3.46Å; R24-M26 VanDerWaalsContact C-N 3.32Å; M26-Y28 VanDerWaalsContact C-N 3.32Å; M26-Y28 PolarHBondContact O-N 3.39Å; M26-G29 CarbonylContact O-C 3.48Å; M26-G29 WeakPolarHBondContact O-CA 3.05Å; M26-G29 PolarHBondContact O-N 3.11Å; M26-F30 HydrophobicContact CG-CD2 3.58Å; M26-F30 HydrophobicContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact O-CD2 3.22Å; M26-F30 WeakPolarHBondContact O-CD2 3.29Å; M26-F30 PolarHBondContact O-N 3.01Å; M26-F30 HydrophobicContact SD-CE2 4Å
27L98.3Very high96.7Very high22 Ų2293.2 Ų93.212%0.11547%0.465CS..Hα-helixtrans-54.6-47.5176.4-79.3168000111.3L23 G29 F30 G31 D32 P36 T40 V41 L44L23-L27 WeakPolarHBondContact O-CB 3.14Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 2.79Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.72Å; L27-F30 CarbonylContact O-C 3.49Å; L27-F30 WeakPolarHBondContact O-CA 3.31Å; L27-F30 PolarHBondContact O-N 2.93Å; L27-G31 PolarHBondContact O-N 3.35Å; L27-G31 VanDerWaalsContact O-N 3.17Å; L27-D32 HydrophobicContact CB-CB 3.84Å; L27-D32 VanDerWaalsContact O-CB 3.23Å; L27-D32 WeakPolarHBondContact O-CB 3.48Å; L27-D32 PolarHBondContact O-N 2.95Å; L27-P36 HydrophobicContact CB-CB 4.39Å; L27-P36 HydrophobicContact CB-CG 3.94Å; L27-P36 HydrophobicContact CD1-CB 3.89Å; L27-P36 HydrophobicContact CD1-CG 4.24Å; L27-T40 HydrophobicContact CD1-CG2 4.13Å; L27-T40 HydrophobicContact CD2-CG2 4.35Å; L27-V41 HydrophobicContact CD1-CG2 3.76Å; L27-L44 HydrophobicContact CD1-CD2 4.29Å; L27-L44 HydrophobicContact CD2-CD2 3.85Å; L27-L44 HydrophobicContact CG-CD2 3.96Å
28Y97.7Very high96.9Very high138 Ų13892.6 Ų92.654%0.54147%0.471SS..Hα-helixtrans-59.8-42.4174.6-178.4-122000112.1R24 M26 F30 G31 D32 K34R24-Y28 PolarHBondContact O-N 3.39Å; M26-Y28 VanDerWaalsContact C-N 3.32Å; M26-Y28 PolarHBondContact O-N 3.39Å; Y28-F30 PolarHBondContact O-N 2.75Å; Y28-G31 PolarHBondContact O-N 3.41Å; Y28-D32 WeakPolarHBondContact CD2-O 3.47Å; Y28-K34 HydrophobicContact CD2-CB 4.42Å; Y28-K34 HydrophobicContact CE2-CB 4.28Å
29G97.7Very high97.1Very high68 Ų6892 Ų9270%0.70147%0.474SS*.Hα-helixtrans-62.8-26.4174.200000114.3C25 M26 L27 G31C25-G29 PolarHBondContact O-N 3.02Å; M26-G29 CarbonylContact O-C 3.48Å; M26-G29 WeakPolarHBondContact O-CA 3.05Å; M26-G29 PolarHBondContact O-N 3.11Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.72Å; G29-G31 VanDerWaalsContact C-N 3.34Å
30F97.3Very high97.1Very high172 Ų17292.2 Ų92.275%0.75448%0.477SS*.THydrogen-bonded Turntrans-88.32.8173.3-80.7-74.8000113.8M26 L27 Y28M26-F30 HydrophobicContact CG-CD2 3.58Å; M26-F30 HydrophobicContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact O-CD2 3.22Å; M26-F30 WeakPolarHBondContact O-CD2 3.29Å; M26-F30 PolarHBondContact O-N 3.01Å; M26-F30 HydrophobicContact SD-CE2 4Å; L27-F30 CarbonylContact O-C 3.49Å; L27-F30 WeakPolarHBondContact O-CA 3.31Å; L27-F30 PolarHBondContact O-N 2.93Å; Y28-F30 PolarHBondContact O-N 2.75Å
31G97.6Very high97.2Very high69 Ų6990.1 Ų90.171%0.71146%0.464SS*.THydrogen-bonded Turntrans9811.817500000115.4L27 Y28 G29L27-G31 PolarHBondContact O-N 3.35Å; L27-G31 VanDerWaalsContact O-N 3.17Å; Y28-G31 PolarHBondContact O-N 3.41Å; G29-G31 VanDerWaalsContact C-N 3.34Å
32D97.4Very high97.2Very high55 Ų5584.5 Ų84.529%0.29444%0.442SS..  trans-69.4174.2166.2-152.6-41.7000110.7L27 Y28 P36L27-D32 HydrophobicContact CB-CB 3.84Å; L27-D32 VanDerWaalsContact O-CB 3.23Å; L27-D32 WeakPolarHBondContact O-CB 3.48Å; L27-D32 PolarHBondContact O-N 2.95Å; Y28-D32 WeakPolarHBondContact CD2-O 3.47Å; D32-P36 HydrophobicContact CB-CG 4.47Å
33S96.5Very high97.2Very high55 Ų5584.7 Ų84.739%0.38545%0.445SS..  trans-62.2158.1173.367.20000112.9Q35 P36S33-Q35 PolarHBondContact O-N 3.42Å; S33-Q35 VanDerWaalsContact OG-C 3.24Å; S33-Q35 PolarHBondContact OG-O 3.19Å; S33-P36 VanDerWaalsContact O-CD 3.24Å; S33-P36 WeakPolarHBondContact O-CD 3.04Å; S33-P36 WeakPolarHBondContact O-CG 3.44Å; S33-P36 WeakPolarHBondContact OG-CA 3.32Å
34K96.3Very high97.2Very high174 Ų17486.6 Ų86.676%0.75746%0.455SS*.SBendtrans-61.3-24.7174.7-175.3176.9178.8-179.40112.7Y28Y28-K34 HydrophobicContact CD2-CB 4.42Å; Y28-K34 HydrophobicContact CE2-CB 4.28Å
35Q95.8Very high97.2Very high166 Ų16683.1 Ų83.178%0.77644%0.442SS*.SBendtrans-124.776.8176-63.5179.736.400109S33S33-Q35 PolarHBondContact O-N 3.42Å; S33-Q35 VanDerWaalsContact OG-C 3.24Å; S33-Q35 PolarHBondContact OG-O 3.19Å
36P97.6Very high97.1Very high6 Ų680.7 Ų80.74%0.03942%0.423CS..  trans-58145.6179.2-22.133000111.2R24 L27 D32 S33 T38 V41R24-P36 PolarHBondContact NH1-O 3.35Å; L27-P36 HydrophobicContact CB-CB 4.39Å; L27-P36 HydrophobicContact CB-CG 3.94Å; L27-P36 HydrophobicContact CD1-CB 3.89Å; L27-P36 HydrophobicContact CD1-CG 4.24Å; D32-P36 HydrophobicContact CB-CG 4.47Å; S33-P36 VanDerWaalsContact O-CD 3.24Å; S33-P36 WeakPolarHBondContact O-CD 3.04Å; S33-P36 WeakPolarHBondContact O-CG 3.44Å; S33-P36 WeakPolarHBondContact OG-CA 3.32Å; P36-T38 PolarHBondContact O-N 3.32Å; P36-V41 HydrophobicContact CB-CG2 4.06Å
37Y97.7Very high97.1Very high172 Ų17280.4 Ų80.468%0.67542%0.423SS*.  trans-55.3138.4175.4-65.4-62.3000110.6E39 T40 V41Y37-E39 PolarHBondContact O-N 3.41Å; Y37-T40 WeakPolarHBondContact O-CB 3.45Å; Y37-T40 PolarHBondContact O-N 3.4Å; Y37-T40 VanDerWaalsContact O-N 3.12Å; Y37-V41 WeakPolarHBondContact O-CG2 3.33Å; Y37-V41 PolarHBondContact O-N 2.93Å; Y37-V41 VanDerWaalsContact O-N 3.14Å
38T96.3Very high97Very high70 Ų7081.2 Ų81.243%0.42943%0.429SS..Hα-helixtrans-61.8-36.5-178.3-62.80000110.7R24 P36 T40 V41 D42R24-T38 PolarHBondContact NH2-OG1 3.18Å; P36-T38 PolarHBondContact O-N 3.32Å; T38-T40 VanDerWaalsContact C-N 3.33Å; T38-T40 PolarHBondContact O-N 2.8Å; T38-V41 PolarHBondContact O-N 3.39Å; T38-D42 VanDerWaalsContact O-CB 3.27Å; T38-D42 WeakPolarHBondContact O-CB 3.49Å; T38-D42 PolarHBondContact O-N 2.97Å
39E96.5Very high97Very high140 Ų14077.7 Ų77.765%0.65442%0.418SS*.Hα-helixtrans-60.6-39.9176-6180179.800111.9Y37 L43Y37-E39 PolarHBondContact O-N 3.41Å; E39-L43 VanDerWaalsContact O-CB 3.23Å; E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 PolarHBondContact O-N 3.41Å
40T97.1Very high97Very high53 Ų5378.8 Ų78.833%0.32541%0.405SS..Hα-helixtrans-66.9-43.7175.7-58.20000111.3L27 Y37 T38 L44L27-T40 HydrophobicContact CD1-CG2 4.13Å; L27-T40 HydrophobicContact CD2-CG2 4.35Å; Y37-T40 WeakPolarHBondContact O-CB 3.45Å; Y37-T40 PolarHBondContact O-N 3.4Å; Y37-T40 VanDerWaalsContact O-N 3.12Å; T38-T40 VanDerWaalsContact C-N 3.33Å; T38-T40 PolarHBondContact O-N 2.8Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 PolarHBondContact O-N 2.99Å
41V97.7Very high97Very high0 Ų076.3 Ų76.30%039%0.394CS..Hα-helixtrans-64.7-44.7178.1179.40000110.5T20 L23 R24 L27 P36 Y37 T38 L44 D45T20-V41 HydrophobicContact CG2-CG1 3.99Å; L23-V41 HydrophobicContact CB-CG1 4.15Å; R24-V41 HydrophobicContact CG-CB 4.47Å; R24-V41 HydrophobicContact CG-CG1 4.08Å; R24-V41 HydrophobicContact CG-CG2 3.55Å; L27-V41 HydrophobicContact CD1-CG2 3.76Å; P36-V41 HydrophobicContact CB-CG2 4.06Å; Y37-V41 WeakPolarHBondContact O-CG2 3.33Å; Y37-V41 PolarHBondContact O-N 2.93Å; Y37-V41 VanDerWaalsContact O-N 3.14Å; T38-V41 PolarHBondContact O-N 3.39Å; V41-L44 PolarHBondContact O-N 3.4Å; V41-D45 WeakPolarHBondContact O-CB 3.42Å; V41-D45 PolarHBondContact O-N 3.48Å
42D96.4Very high96.9Very high41 Ų4176.9 Ų76.922%0.21938%0.38CS..Hα-helixtrans-64.6-43.6179.8-88.424.8000112.1R17 T38 L44 D45 D46R17-D42 IonicContact CZ-OD2 3.09Å; R17-D42 VanDerWaalsContact NE-CG 3.33Å; R17-D42 IonicContact NE-OD1 2.69Å; R17-D42 IonicContact NE-OD2 3.83Å; R17-D42 PolarHBondContact NE-OD2 3Å; R17-D42 VanDerWaalsContact NE-OD2 3.09Å; R17-D42 IonicContact NH2-OD2 3.4Å; R17-D42 PolarHBondContact NH2-OD2 3.28Å; T38-D42 VanDerWaalsContact O-CB 3.27Å; T38-D42 WeakPolarHBondContact O-CB 3.49Å; T38-D42 PolarHBondContact O-N 2.97Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-D45 PolarHBondContact O-N 3.42Å; D42-D46 PolarHBondContact O-N 3.34Å
43L96.7Very high96.8Very high106 Ų10680.2 Ų80.256%0.55539%0.392SS*.Hα-helixtrans-62.5-42.4174.4177.461.2000111.1E39 D46 I47E39-L43 VanDerWaalsContact O-CB 3.23Å; E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 PolarHBondContact O-N 3.41Å; L43-D46 PolarHBondContact O-N 2.91Å; L43-I47 HydrophobicContact CD1-CD1 4.17Å; L43-I47 HydrophobicContact CD1-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 3.96Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.08Å
44L97.7Very high96.9Very high47 Ų4781.9 Ų81.925%0.24640%0.397CS..Hα-helixtrans-67.2-37.8178.7-172.460.2000111.8L23 L27 T40 V41 D42 I47 V48L23-L44 HydrophobicContact CB-CD2 4.44Å; L23-L44 HydrophobicContact CD1-CB 4.23Å; L23-L44 HydrophobicContact CD1-CD2 4.48Å; L23-L44 HydrophobicContact CD1-CG 4.13Å; L23-L44 HydrophobicContact CD2-CD2 3.79Å; L23-L44 HydrophobicContact CD2-CG 3.99Å; L23-L44 HydrophobicContact CG-CD2 4.45Å; L27-L44 HydrophobicContact CD1-CD2 4.29Å; L27-L44 HydrophobicContact CD2-CD2 3.85Å; L27-L44 HydrophobicContact CG-CD2 3.96Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 PolarHBondContact O-N 2.99Å; V41-L44 PolarHBondContact O-N 3.4Å; D42-L44 VanDerWaalsContact C-N 3.33Å; L44-I47 PolarHBondContact O-N 2.98Å; L44-V48 HydrophobicContact CD1-CG2 4.32Å; L44-V48 HydrophobicContact CG-CG2 4.41Å; L44-V48 WeakPolarHBondContact O-CB 3.45Å; L44-V48 VanDerWaalsContact O-CG2 3.25Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 3.36Å
45D97.1Very high96.9Very high2 Ų275.8 Ų75.81%0.01137%0.37CS..Hα-helixtrans-58.2-49172.5-167-75.2000110.2Y18 L19 L23 V41 D42 I47 V48 I49Y18-D45 PolarHBondContact N-OD2 3.11Å; Y18-D45 VanDerWaalsContact N-OD2 3.15Å; L19-D45 PolarHBondContact N-OD2 2.81Å; L23-D45 VanDerWaalsContact CD1-CA 3.5Å; L23-D45 HydrophobicContact CD1-CB 3.79Å; V41-D45 WeakPolarHBondContact O-CB 3.42Å; V41-D45 PolarHBondContact O-N 3.48Å; D42-D45 PolarHBondContact O-N 3.42Å; D45-I47 PolarHBondContact O-N 2.92Å; D45-V48 PolarHBondContact O-N 3.16Å; D45-I49 WeakPolarHBondContact O-CB 3.46Å; D45-I49 VanDerWaalsContact O-CG1 3.25Å; D45-I49 WeakPolarHBondContact O-CG1 3.42Å; D45-I49 PolarHBondContact O-N 3.46Å
46D96.1Very high96.8Very high39 Ų3970.4 Ų70.421%0.20935%0.349CS..Hα-helixtrans-58.6-45.2176.6-75.5-24.7000111.9R15 R17 D42 L43 Q50R15-D46 IonicContact CZ-OD1 3.78Å; R15-D46 IonicContact CZ-OD2 3.51Å; R15-D46 IonicContact NE-OD1 3.01Å; R15-D46 PolarHBondContact NE-OD1 3.17Å; R15-D46 IonicContact NE-OD2 3.46Å; R15-D46 PolarHBondContact NE-OD2 3.35Å; R15-D46 IonicContact NH2-OD1 3.76Å; R15-D46 IonicContact NH2-OD2 2.76Å; R15-D46 PolarHBondContact NH2-OD2 3.27Å; R17-D46 IonicContact CZ-OD1 3.53Å; R17-D46 IonicContact NH1-OD1 3.98Å; R17-D46 PolarHBondContact NH1-OD1 3.47Å; R17-D46 IonicContact NH1-OD2 2.91Å; R17-D46 IonicContact NH2-OD2 3.89Å; D42-D46 PolarHBondContact O-N 3.34Å; L43-D46 PolarHBondContact O-N 2.91Å; D46-Q50 VanDerWaalsContact O-CB 3.26Å; D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 PolarHBondContact O-N 3.34Å
47I97.7Very high96.7Very high93 Ų9373.4 Ų73.448%0.47737%0.367SS..Hα-helixtrans-63.1-44.6178.6-69.2166.2000111.3L43 L44 D45 Q50 F51L43-I47 HydrophobicContact CD1-CD1 4.17Å; L43-I47 HydrophobicContact CD1-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 3.96Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.08Å; L44-I47 PolarHBondContact O-N 2.98Å; D45-I47 PolarHBondContact O-N 2.92Å; I47-Q50 PolarHBondContact O-N 3.32Å; I47-F51 WeakPolarHBondContact O-CB 3.49Å; I47-F51 PolarHBondContact O-N 2.99Å
48V97.2Very high96.5Very high40 Ų4066.6 Ų66.624%0.24235%0.346CS..Hα-helixtrans-67.3-44.8-178.4171.40000110.9L19 L23 L44 D45 Q50 F51 I52L19-V48 HydrophobicContact CD1-CB 4.31Å; L19-V48 HydrophobicContact CD1-CG1 3.55Å; L23-V48 HydrophobicContact CD2-CG2 4.44Å; L44-V48 HydrophobicContact CD1-CG2 4.32Å; L44-V48 HydrophobicContact CG-CG2 4.41Å; L44-V48 WeakPolarHBondContact O-CB 3.45Å; L44-V48 VanDerWaalsContact O-CG2 3.25Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 3.36Å; D45-V48 PolarHBondContact O-N 3.16Å; V48-Q50 VanDerWaalsContact C-N 3.33Å; V48-Q50 PolarHBondContact O-N 3.43Å; V48-F51 WeakPolarHBondContact O-CB 3.43Å; V48-F51 PolarHBondContact O-N 3.49Å; V48-I52 HydrophobicContact CG1-CD1 3.93Å; V48-I52 WeakPolarHBondContact O-CG1 3.28Å; V48-I52 PolarHBondContact O-N 2.94Å
49I96.5Very high96.5Very high63 Ų6363.2 Ų63.232%0.32333%0.326SS..Hα-helixtrans-62-43.6176.9-66.7-65.2000110.6Y18 D45 F51 I52 K53Y18-I49 HydrophobicContact CD2-CD1 3.82Å; Y18-I49 HydrophobicContact CD2-CG1 4.3Å; Y18-I49 HydrophobicContact CG-CD1 4.31Å; D45-I49 WeakPolarHBondContact O-CB 3.46Å; D45-I49 VanDerWaalsContact O-CG1 3.25Å; D45-I49 WeakPolarHBondContact O-CG1 3.42Å; D45-I49 PolarHBondContact O-N 3.46Å; I49-F51 VanDerWaalsContact C-N 3.34Å; I49-F51 PolarHBondContact O-N 3.12Å; I49-I52 PolarHBondContact O-N 3.03Å; I49-K53 WeakPolarHBondContact O-CB 3.23Å; I49-K53 PolarHBondContact O-N 3.01Å
50Q97.2Very high96.3Very high91 Ų9160.1 Ų60.143%0.42531%0.312SS..Hα-helixtrans-63.7-39.9176.7-172.361.857.300112D46 I47 V48 K53 N54D46-Q50 VanDerWaalsContact O-CB 3.26Å; D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 PolarHBondContact O-N 3.34Å; I47-Q50 PolarHBondContact O-N 3.32Å; V48-Q50 VanDerWaalsContact C-N 3.33Å; V48-Q50 PolarHBondContact O-N 3.43Å; Q50-K53 PolarHBondContact O-N 3.05Å; Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.28Å; Q50-N54 VanDerWaalsContact O-CG 3.23Å; Q50-N54 PolarHBondContact O-N 3.4Å
51F97.5Very high96Very high120 Ų12064.9 Ų64.953%0.52633%0.33SS..Hα-helixtrans-60.8-49.7174.7172.4-96.3000111.5I47 V48 I49 K53 N54 F55I47-F51 WeakPolarHBondContact O-CB 3.49Å; I47-F51 PolarHBondContact O-N 2.99Å; V48-F51 WeakPolarHBondContact O-CB 3.43Å; V48-F51 PolarHBondContact O-N 3.49Å; I49-F51 VanDerWaalsContact C-N 3.34Å; I49-F51 PolarHBondContact O-N 3.12Å; F51-K53 VanDerWaalsContact C-N 3.33Å; F51-K53 PolarHBondContact O-N 2.97Å; F51-N54 PolarHBondContact O-N 3.41Å; F51-F55 HydrophobicContact CE2-CD2 4.41Å; F51-F55 AromaticContact CZ-CD2 3.96Å; F51-F55 HydrophobicContact CZ-CD2 3.96Å; F51-F55 VanDerWaalsContact O-CB 3.24Å; F51-F55 WeakPolarHBondContact O-CB 3.42Å; F51-F55 PolarHBondContact O-N 3.08Å
52I96.2Very high95.7Very high82 Ų8268 Ų6842%0.42135%0.35SS..Hα-helixtrans-59.2-46.3178.5-67.2166.4000110.1V48 I49 F55 T56V48-I52 HydrophobicContact CG1-CD1 3.93Å; V48-I52 WeakPolarHBondContact O-CG1 3.28Å; V48-I52 PolarHBondContact O-N 2.94Å; I49-I52 PolarHBondContact O-N 3.03Å; I52-F55 PolarHBondContact O-N 3.14Å; I52-T56 HydrophobicContact CG2-CG2 4.32Å; I52-T56 VanDerWaalsContact O-CG2 3.32Å; I52-T56 WeakPolarHBondContact O-CG2 3.45Å; I52-T56 PolarHBondContact O-N 3.22Å; I52-T56 PolarHBondContact O-OG1 3.26Å; I52-T56 VanDerWaalsContact O-OG1 3.1Å
53K96.1Very high95.2Very high124 Ų12468 Ų6854%0.53935%0.346SS..Hα-helixtrans-57.3-53.8177.2-177179.7177.4-1780111.4I49 Q50 F51 F55 T56 V57I49-K53 WeakPolarHBondContact O-CB 3.23Å; I49-K53 PolarHBondContact O-N 3.01Å; Q50-K53 PolarHBondContact O-N 3.05Å; F51-K53 VanDerWaalsContact C-N 3.33Å; F51-K53 PolarHBondContact O-N 2.97Å; K53-F55 VanDerWaalsContact C-N 3.28Å; K53-F55 PolarHBondContact O-N 2.98Å; K53-T56 PolarHBondContact O-N 2.96Å; K53-T56 PolarHBondContact O-OG1 3.27Å; K53-V57 WeakPolarHBondContact O-CG2 3.5Å; K53-V57 PolarHBondContact O-N 2.97Å
54N97.2Very high94.5Very high91 Ų9173 Ų7349%0.48736%0.363SS..Hα-helixtrans-60.8-40.3-179.6-70.2-7000111.8Q50 F51 V57 A58Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.28Å; Q50-N54 VanDerWaalsContact O-CG 3.23Å; Q50-N54 PolarHBondContact O-N 3.4Å; F51-N54 PolarHBondContact O-N 3.41Å; N54-V57 PolarHBondContact O-N 3.42Å; N54-A58 WeakPolarHBondContact O-CB 3.46Å; N54-A58 PolarHBondContact O-N 3.29Å
55F96.1Very high93.7Very high46 Ų4675.6 Ų75.620%0.20238%0.382CS..Hα-helixtrans-65.8-42.7179.2-163.6-83.6000111.8F51 I52 K53 A58 A59 I73 L76 I77F51-F55 HydrophobicContact CE2-CD2 4.41Å; F51-F55 AromaticContact CZ-CD2 3.96Å; F51-F55 HydrophobicContact CZ-CD2 3.96Å; F51-F55 VanDerWaalsContact O-CB 3.24Å; F51-F55 WeakPolarHBondContact O-CB 3.42Å; F51-F55 PolarHBondContact O-N 3.08Å; I52-F55 PolarHBondContact O-N 3.14Å; K53-F55 VanDerWaalsContact C-N 3.28Å; K53-F55 PolarHBondContact O-N 2.98Å; F55-A58 PolarHBondContact O-N 3.32Å; F55-A59 WeakPolarHBondContact O-CB 3.33Å; F55-A59 PolarHBondContact O-N 3.07Å; F55-I73 HydrophobicContact CD1-CD1 4.14Å; F55-I73 HydrophobicContact CE1-CB 4.36Å; F55-I73 HydrophobicContact CE1-CD1 3.59Å; F55-I73 HydrophobicContact CE1-CG2 3.86Å; F55-I73 HydrophobicContact CZ-CG2 4.1Å; F55-L76 HydrophobicContact CD1-CD1 4.1Å; F55-L76 HydrophobicContact CD2-CD1 4.47Å; F55-L76 HydrophobicContact CE1-CB 4.41Å; F55-L76 HydrophobicContact CE1-CD1 3.66Å; F55-L76 HydrophobicContact CE2-CB 4.02Å; F55-L76 HydrophobicContact CE2-CD1 4.1Å; F55-L76 HydrophobicContact CG-CD1 4.47Å; F55-L76 HydrophobicContact CZ-CB 3.66Å; F55-L76 HydrophobicContact CZ-CD1 3.67Å; F55-L76 HydrophobicContact CZ-CG 4.35Å; F55-I77 HydrophobicContact CE2-CG2 3.91Å; F55-I77 HydrophobicContact CZ-CG2 3.69Å
56T94.9Very high93.1Very high53 Ų5377.8 Ų77.833%0.32541%0.405SS..Hα-helixtrans-66.8-37.5176.456.50000112.7I52 K53 A59 M60 I68I52-T56 HydrophobicContact CG2-CG2 4.32Å; I52-T56 VanDerWaalsContact O-CG2 3.32Å; I52-T56 WeakPolarHBondContact O-CG2 3.45Å; I52-T56 PolarHBondContact O-N 3.22Å; I52-T56 PolarHBondContact O-OG1 3.26Å; I52-T56 VanDerWaalsContact O-OG1 3.1Å; K53-T56 PolarHBondContact O-N 2.96Å; K53-T56 PolarHBondContact O-OG1 3.27Å; T56-A59 PolarHBondContact O-N 3.39Å; T56-M60 VanDerWaalsContact O-CG 3.28Å; T56-M60 WeakPolarHBondContact O-CG 3.32Å; T56-M60 PolarHBondContact O-N 2.95Å; T56-I68 HydrophobicContact CG2-CD1 3.97Å; T56-I68 WeakPolarHBondContact O-CD1 3.2Å
57V94.5Very high92.8Very high69 Ų6985.6 Ų85.642%0.41843%0.431SS..Hα-helixtrans-62.8-48.8173.3172.20000110.6K53 N54 A59 M60 E61K53-V57 WeakPolarHBondContact O-CG2 3.5Å; K53-V57 PolarHBondContact O-N 2.97Å; N54-V57 PolarHBondContact O-N 3.42Å; V57-A59 PolarHBondContact O-N 2.9Å; V57-M60 WeakPolarHBondContact O-CB 3.4Å; V57-M60 PolarHBondContact O-N 3.31Å; V57-M60 VanDerWaalsContact O-N 3.08Å; V57-E61 WeakPolarHBondContact O-CG 3.29Å; V57-E61 PolarHBondContact O-N 3.13Å
58A94.8Very high92.6Very high28 Ų2884.3 Ų84.323%0.23142%0.424CS..Hα-helixtrans-58.9-37176.100000112.3N54 F55 M60 E61 V62 L76N54-A58 WeakPolarHBondContact O-CB 3.46Å; N54-A58 PolarHBondContact O-N 3.29Å; F55-A58 PolarHBondContact O-N 3.32Å; A58-M60 VanDerWaalsContact C-N 3.35Å; A58-E61 PolarHBondContact O-N 3.25Å; A58-V62 WeakPolarHBondContact O-CG2 3.37Å; A58-V62 PolarHBondContact O-N 2.88Å; A58-L76 HydrophobicContact CB-CD1 4.01Å; A58-L76 HydrophobicContact CB-CD2 4.09Å
59A94.7Very high92.3Very high0 Ų087.5 Ų87.50%044%0.437CS..Hα-helixtrans-68-37.7177.700000111.5F55 T56 V57 R63 I68 D72 I73 L76F55-A59 WeakPolarHBondContact O-CB 3.33Å; F55-A59 PolarHBondContact O-N 3.07Å; T56-A59 PolarHBondContact O-N 3.39Å; V57-A59 PolarHBondContact O-N 2.9Å; A59-R63 WeakPolarHBondContact O-CB 3.33Å; A59-R63 PolarHBondContact O-N 2.88Å; A59-I68 HydrophobicContact CB-CD1 4.17Å; A59-I68 HydrophobicContact CB-CG1 4.31Å; A59-I68 HydrophobicContact CB-CG2 4.02Å; A59-D72 HydrophobicContact CB-CB 4.18Å; A59-I73 HydrophobicContact CB-CD1 4.46Å; A59-L76 HydrophobicContact CB-CD1 3.78Å
60M93Very high92Very high74 Ų7488.1 Ų88.137%0.36544%0.44SS..Hα-helixtrans-67.6-36.2175.1-74.1-70.1-63.100112.6T56 V57 A58 R63 G66 I68T56-M60 VanDerWaalsContact O-CG 3.28Å; T56-M60 WeakPolarHBondContact O-CG 3.32Å; T56-M60 PolarHBondContact O-N 2.95Å; V57-M60 WeakPolarHBondContact O-CB 3.4Å; V57-M60 PolarHBondContact O-N 3.31Å; V57-M60 VanDerWaalsContact O-N 3.08Å; A58-M60 VanDerWaalsContact C-N 3.35Å; M60-R63 PolarHBondContact O-N 3.32Å; M60-G66 VanDerWaalsContact CE-O 3.31Å; M60-G66 WeakPolarHBondContact CE-O 3.49Å; M60-I68 HydrophobicContact CG-CD1 3.85Å; M60-I68 HydrophobicContact CG-CG1 3.74Å; M60-I68 HydrophobicContact SD-CD1 4.25Å; M60-I68 HydrophobicContact SD-CG1 3.56Å; M60-I68 VanDerWaalsContact SD-CG1 3.56Å
61E91.9Very high91.7Very high154 Ų15489.3 Ų89.372%0.7245%0.446SS*.Hα-helixtrans-66.6-36.4177.6-72.7174.3170.100112.9V57 A58 R63V57-E61 WeakPolarHBondContact O-CG 3.29Å; V57-E61 PolarHBondContact O-N 3.13Å; A58-E61 PolarHBondContact O-N 3.25Å; E61-R63 PolarHBondContact O-N 3.1Å
62V89.5Confident91.5Very high66 Ų6684.4 Ų84.440%0.443%0.425SS..Hα-helixtrans-68-26.7174.9173.70000111.1A58 Y75 L76A58-V62 WeakPolarHBondContact O-CG2 3.37Å; A58-V62 PolarHBondContact O-N 2.88Å; V62-Y75 HydrophobicContact CB-CD1 4.31Å; V62-Y75 HydrophobicContact CB-CE1 4.46Å; V62-Y75 HydrophobicContact CG1-CD1 3.56Å; V62-Y75 HydrophobicContact CG1-CE1 3.79Å; V62-Y75 HydrophobicContact CG1-CG 4.18Å; V62-Y75 HydrophobicContact CG2-CD1 3.81Å; V62-Y75 HydrophobicContact CG2-CE1 3.73Å; V62-L76 HydrophobicContact CG2-CD2 4.1Å
63R86.4Confident91.2Very high41 Ų4182.5 Ų82.516%0.15542%0.416CS..  trans-99.6138.8-169.9179.5147.2-178.4162.9-2113.8A59 M60 E61 T65 R67 Q69 D72A59-R63 WeakPolarHBondContact O-CB 3.33Å; A59-R63 PolarHBondContact O-N 2.88Å; M60-R63 PolarHBondContact O-N 3.32Å; E61-R63 PolarHBondContact O-N 3.1Å; R63-T65 PolarHBondContact NE-OG1 2.98Å; R63-T65 PolarHBondContact NH2-OG1 3.43Å; R63-T65 VanDerWaalsContact NH2-OG1 3.15Å; R63-R67 WeakPolarHBondContact CD-O 3.27Å; R63-R67 PolarHBondContact NE-O 3.26Å; R63-R67 PolarHBondContact NH1-O 3.34Å; R63-R67 VanDerWaalsContact NH1-O 3.11Å; R63-R67 PolarHBondContact NH2-O 2.98Å; R63-Q69 VanDerWaalsContact CZ-OE1 3.23Å; R63-Q69 VanDerWaalsContact NH1-N 3.19Å; R63-D72 WeakPolarHBondContact CD-OD1 3.24Å; R63-D72 WeakPolarHBondContact CD-OD2 3.46Å; R63-D72 IonicContact CZ-OD2 3.61Å; R63-D72 IonicContact NE-OD2 3.96Å; R63-D72 IonicContact NH1-OD1 2.79Å; R63-D72 IonicContact NH1-OD2 3.72Å; R63-D72 PolarHBondContact NH1-OD2 2.88Å
64K81.5Confident91.1Very high209 Ų20979.2 Ų79.291%0.90940%0.4SS*.SBendtrans-84.1-27.4176.4-60.5-177.1-179.2-179.50114.9
65T82.2Confident90.9Very high103 Ų10380.4 Ų80.463%0.63240%0.398SS*.SBendtrans-103.416.6-164.555.40000115.5R63 R67R63-T65 PolarHBondContact NE-OG1 2.98Å; R63-T65 PolarHBondContact NH2-OG1 3.43Å; R63-T65 VanDerWaalsContact NH2-OG1 3.15Å; T65-R67 PolarHBondContact O-N 2.81Å
66G84.1Confident90.9Very high48 Ų4880.8 Ų80.850%0.49540%0.402SS..SBendtrans70.3-3.7165.300000118.1M60M60-G66 VanDerWaalsContact CE-O 3.31Å; M60-G66 WeakPolarHBondContact CE-O 3.49Å
67R90.7Very high90.9Very high203 Ų20378.8 Ų78.877%0.76639%0.389SS*.SBendtrans-122.3132.2173.5-66.9-174.3178.3-175.4-0.3109.6R63 T65R63-R67 WeakPolarHBondContact CD-O 3.27Å; R63-R67 PolarHBondContact NE-O 3.26Å; R63-R67 PolarHBondContact NH1-O 3.34Å; R63-R67 VanDerWaalsContact NH1-O 3.11Å; R63-R67 PolarHBondContact NH2-O 2.98Å; T65-R67 PolarHBondContact O-N 2.81Å
68I91.9Very high90.9Very high65 Ų6581.3 Ų81.333%0.33339%0.391SS..  trans-74.8135.2179.3-55.3173.2000110.3T56 A59 M60 D72 I73T56-I68 HydrophobicContact CG2-CD1 3.97Å; T56-I68 WeakPolarHBondContact O-CD1 3.2Å; A59-I68 HydrophobicContact CB-CD1 4.17Å; A59-I68 HydrophobicContact CB-CG1 4.31Å; A59-I68 HydrophobicContact CB-CG2 4.02Å; M60-I68 HydrophobicContact CG-CD1 3.85Å; M60-I68 HydrophobicContact CG-CG1 3.74Å; M60-I68 HydrophobicContact SD-CD1 4.25Å; M60-I68 HydrophobicContact SD-CG1 3.56Å; M60-I68 VanDerWaalsContact SD-CG1 3.56Å; I68-D72 HydrophobicContact CG2-CB 4.33Å; I68-I73 HydrophobicContact CG2-CD1 3.86Å; I68-I73 HydrophobicContact CG2-CG1 4.43Å
69Q91.5Very high91Very high107 Ų10789.7 Ų89.750%0.542%0.417SS..  trans-121.1174.2167.1-67.1168.1-36.800110.9R63 E71 D72R63-Q69 VanDerWaalsContact CZ-OE1 3.23Å; R63-Q69 VanDerWaalsContact NH1-N 3.19Å; Q69-E71 VanDerWaalsContact C-N 3.26Å; Q69-E71 WeakPolarHBondContact CB-OE2 3.42Å; Q69-E71 PolarHBondContact O-N 2.69Å; Q69-D72 PolarHBondContact N-OD2 2.87Å; Q69-D72 WeakPolarHBondContact O-CB 3.31Å; Q69-D72 PolarHBondContact O-N 2.94Å
70L90.2Very high91Very high76 Ų7692 Ų9240%0.39843%0.429SS..Hα-helixtrans-61.8-34.4-175.7-164.175.3000112.2D72 I73 W74 L91L70-D72 VanDerWaalsContact C-N 3.25Å; L70-D72 PolarHBondContact O-N 3.44Å; L70-I73 WeakPolarHBondContact O-CB 3.37Å; L70-I73 PolarHBondContact O-N 2.93Å; L70-I73 VanDerWaalsContact O-N 3.16Å; L70-W74 HydrophobicContact CD2-CZ2 4.43Å; L70-W74 VanDerWaalsContact CG-NE1 3.3Å; L70-W74 PolarHBondContact O-N 2.88Å; L70-L91 HydrophobicContact CD1-CD1 3.84Å; L70-L91 HydrophobicContact CD1-CD2 4.15Å; L70-L91 HydrophobicContact CD2-CD1 4.02Å; L70-L91 HydrophobicContact CG-CD1 4.38Å
71E90.9Very high91.2Very high117 Ų11793 Ų9355%0.54744%0.441SS..Hα-helixtrans-60.5-34.8178.2-61.571.6-153.200112.2Q69 W74 Y75Q69-E71 VanDerWaalsContact C-N 3.26Å; Q69-E71 WeakPolarHBondContact CB-OE2 3.42Å; Q69-E71 PolarHBondContact O-N 2.69Å; E71-W74 PolarHBondContact O-N 2.93Å; E71-Y75 WeakPolarHBondContact O-CB 3.35Å; E71-Y75 PolarHBondContact O-N 3.42Å
72D93Very high91.5Very high17 Ų1794 Ų949%0.09144%0.443CS..Hα-helixtrans-68.4-41.4177.5-52.2-51.1000110.4A59 R63 I68 Q69 L70 Y75 L76A59-D72 HydrophobicContact CB-CB 4.18Å; R63-D72 WeakPolarHBondContact CD-OD1 3.24Å; R63-D72 WeakPolarHBondContact CD-OD2 3.46Å; R63-D72 IonicContact CZ-OD2 3.61Å; R63-D72 IonicContact NE-OD2 3.96Å; R63-D72 IonicContact NH1-OD1 2.79Å; R63-D72 IonicContact NH1-OD2 3.72Å; R63-D72 PolarHBondContact NH1-OD2 2.88Å; I68-D72 HydrophobicContact CG2-CB 4.33Å; Q69-D72 PolarHBondContact N-OD2 2.87Å; Q69-D72 WeakPolarHBondContact O-CB 3.31Å; Q69-D72 PolarHBondContact O-N 2.94Å; L70-D72 VanDerWaalsContact C-N 3.25Å; L70-D72 PolarHBondContact O-N 3.44Å; D72-Y75 PolarHBondContact O-N 3.35Å; D72-L76 WeakPolarHBondContact O-CG 3.48Å; D72-L76 PolarHBondContact O-N 3.47Å
73I91.2Very high91.8Very high42 Ų4296.3 Ų96.322%0.21545%0.448CS..Hα-helixtrans-62.2-47.6174.6-50.1-60.2000110F55 A59 I68 L70 Y75 L76 I77F55-I73 HydrophobicContact CD1-CD1 4.14Å; F55-I73 HydrophobicContact CE1-CB 4.36Å; F55-I73 HydrophobicContact CE1-CD1 3.59Å; F55-I73 HydrophobicContact CE1-CG2 3.86Å; F55-I73 HydrophobicContact CZ-CG2 4.1Å; A59-I73 HydrophobicContact CB-CD1 4.46Å; I68-I73 HydrophobicContact CG2-CD1 3.86Å; I68-I73 HydrophobicContact CG2-CG1 4.43Å; L70-I73 WeakPolarHBondContact O-CB 3.37Å; L70-I73 PolarHBondContact O-N 2.93Å; L70-I73 VanDerWaalsContact O-N 3.16Å; I73-Y75 VanDerWaalsContact C-N 3.3Å; I73-Y75 PolarHBondContact O-N 3.23Å; I73-L76 PolarHBondContact O-N 3.24Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.32Å; I73-I77 VanDerWaalsContact O-N 3.14Å
74W93.1Very high92.2Very high54 Ų5497.9 Ų97.921%0.20546%0.456CS..Hα-helixtrans-57.4-44.1177.1-72.2126000111.9L70 E71 L76 I77 R78 F84 V87 K88 L91L70-W74 HydrophobicContact CD2-CZ2 4.43Å; L70-W74 VanDerWaalsContact CG-NE1 3.3Å; L70-W74 PolarHBondContact O-N 2.88Å; E71-W74 PolarHBondContact O-N 2.93Å; W74-L76 VanDerWaalsContact C-N 3.32Å; W74-L76 PolarHBondContact O-N 2.85Å; W74-I77 HydrophobicContact CE3-CD1 3.79Å; W74-I77 HydrophobicContact CE3-CG1 4.22Å; W74-I77 HydrophobicContact CZ3-CD1 4Å; W74-I77 PolarHBondContact O-N 3.15Å; W74-R78 WeakPolarHBondContact O-CB 3.42Å; W74-R78 PolarHBondContact O-N 2.81Å; W74-F84 HydrophobicContact CD2-CE2 4.22Å; W74-F84 AromaticContact CE3-CD2 3.56Å; W74-F84 HydrophobicContact CE3-CD2 3.56Å; W74-F84 AromaticContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CG 4.44Å; W74-F84 AromaticContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CZ3-CD1 4.48Å; W74-F84 AromaticContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CE1 4.37Å; W74-F84 AromaticContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CG 4.16Å; W74-F84 AromaticContact CZ3-CZ 3.94Å; W74-F84 HydrophobicContact CZ3-CZ 3.94Å; W74-V87 HydrophobicContact CE3-CG1 4.46Å; W74-V87 HydrophobicContact CH2-CB 4.16Å; W74-V87 HydrophobicContact CH2-CG1 3.65Å; W74-V87 HydrophobicContact CZ2-CG1 4.16Å; W74-V87 HydrophobicContact CZ3-CB 4.07Å; W74-V87 HydrophobicContact CZ3-CG1 3.82Å; W74-K88 HydrophobicContact CH2-CB 3.84Å; W74-K88 HydrophobicContact CZ3-CB 4.44Å; W74-L91 HydrophobicContact CH2-CD1 3.93Å; W74-L91 HydrophobicContact CZ2-CD1 3.38Å
75Y94Very high92.9Very high116 Ų11691.4 Ų91.446%0.45543%0.434SS..Hα-helixtrans-59.9-41.6178.8178.9-95.4000112.3V62 E71 D72 I73 R78V62-Y75 HydrophobicContact CB-CD1 4.31Å; V62-Y75 HydrophobicContact CB-CE1 4.46Å; V62-Y75 HydrophobicContact CG1-CD1 3.56Å; V62-Y75 HydrophobicContact CG1-CE1 3.79Å; V62-Y75 HydrophobicContact CG1-CG 4.18Å; V62-Y75 HydrophobicContact CG2-CD1 3.81Å; V62-Y75 HydrophobicContact CG2-CE1 3.73Å; E71-Y75 WeakPolarHBondContact O-CB 3.35Å; E71-Y75 PolarHBondContact O-N 3.42Å; D72-Y75 PolarHBondContact O-N 3.35Å; I73-Y75 VanDerWaalsContact C-N 3.3Å; I73-Y75 PolarHBondContact O-N 3.23Å; Y75-R78 WeakPolarHBondContact O-CD 3.2Å; Y75-R78 VanDerWaalsContact O-CG 3.23Å; Y75-R78 WeakPolarHBondContact O-CG 3.16Å; Y75-R78 PolarHBondContact O-NE 3.32Å
76L95Very high93.5Very high54 Ų5493.3 Ų93.328%0.28343%0.43SS..Hα-helixtrans-69.1-37.1179.2-69.4177.7000113F55 A58 A59 V62 D72 I73 W74F55-L76 HydrophobicContact CD1-CD1 4.1Å; F55-L76 HydrophobicContact CD2-CD1 4.47Å; F55-L76 HydrophobicContact CE1-CB 4.41Å; F55-L76 HydrophobicContact CE1-CD1 3.66Å; F55-L76 HydrophobicContact CE2-CB 4.02Å; F55-L76 HydrophobicContact CE2-CD1 4.1Å; F55-L76 HydrophobicContact CG-CD1 4.47Å; F55-L76 HydrophobicContact CZ-CB 3.66Å; F55-L76 HydrophobicContact CZ-CD1 3.67Å; F55-L76 HydrophobicContact CZ-CG 4.35Å; A58-L76 HydrophobicContact CB-CD1 4.01Å; A58-L76 HydrophobicContact CB-CD2 4.09Å; A59-L76 HydrophobicContact CB-CD1 3.78Å; V62-L76 HydrophobicContact CG2-CD2 4.1Å; D72-L76 WeakPolarHBondContact O-CG 3.48Å; D72-L76 PolarHBondContact O-N 3.47Å; I73-L76 PolarHBondContact O-N 3.24Å; W74-L76 VanDerWaalsContact C-N 3.32Å; W74-L76 PolarHBondContact O-N 2.85Å
77I95.4Very high94Very high12 Ų1292.9 Ų92.96%0.06242%0.417CS..Hα-helixtrans-92.2-7.1-176.370.2-177.4000114.4F55 I73 W74 R79 D80 F84 V87F55-I77 HydrophobicContact CE2-CG2 3.91Å; F55-I77 HydrophobicContact CZ-CG2 3.69Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.32Å; I73-I77 VanDerWaalsContact O-N 3.14Å; W74-I77 HydrophobicContact CE3-CD1 3.79Å; W74-I77 HydrophobicContact CE3-CG1 4.22Å; W74-I77 HydrophobicContact CZ3-CD1 4Å; W74-I77 PolarHBondContact O-N 3.15Å; I77-R79 PolarHBondContact O-N 3.47Å; I77-D80 PolarHBondContact O-N 3.19Å; I77-F84 HydrophobicContact CG1-CD2 4.16Å; I77-V87 HydrophobicContact CD1-CB 3.82Å; I77-V87 HydrophobicContact CD1-CG1 4.06Å; I77-V87 HydrophobicContact CD1-CG2 3.7Å
78R94.4Very high94.2Very high121 Ų12188.9 Ų88.946%0.45741%0.405SS..THydrogen-bonded Turntrans-55.1-23.5-17371.9-168.9170.184.2-9.1115.8W74 Y75W74-R78 WeakPolarHBondContact O-CB 3.42Å; W74-R78 PolarHBondContact O-N 2.81Å; Y75-R78 WeakPolarHBondContact O-CD 3.2Å; Y75-R78 VanDerWaalsContact O-CG 3.23Å; Y75-R78 WeakPolarHBondContact O-CG 3.16Å; Y75-R78 PolarHBondContact O-NE 3.32Å
79R95.5Very high94.4Very high205 Ų20589.7 Ų89.777%0.77441%0.41SS*.THydrogen-bonded Turntrans-89.3-8179.3-65.6-171.6175.7-164.3-2113.1I77 P81I77-R79 PolarHBondContact O-N 3.47Å; R79-P81 WeakPolarHBondContact O-CD 3.3Å
80D96.7Very high94.6Very high47 Ų4788.3 Ų88.325%0.25141%0.406SS..  trans-109.295.1176.4-173-33.6000109.2I77 K82 K83 F84I77-D80 PolarHBondContact O-N 3.19Å; D80-K82 PolarHBondContact O-N 2.93Å; D80-K82 PolarHBondContact OD1-N 3.03Å; D80-K82 VanDerWaalsContact OD1-N 3.13Å; D80-K83 HydrophobicContact CB-CB 4.05Å; D80-K83 HydrophobicContact CB-CD 4.26Å; D80-K83 HydrophobicContact CB-CG 4.29Å; D80-K83 VanDerWaalsContact CG-CG 3.5Å; D80-K83 PolarHBondContact O-N 3.34Å; D80-K83 PolarHBondContact OD1-N 3.27Å; D80-K83 WeakPolarHBondContact OD2-CD 3.28Å; D80-K83 VanDerWaalsContact OD2-CE 3.27Å; D80-K83 WeakPolarHBondContact OD2-CE 3.25Å; D80-K83 VanDerWaalsContact OD2-CG 3.31Å; D80-K83 WeakPolarHBondContact OD2-CG 3.23Å; D80-K83 IonicContact OD2-NZ 2.72Å; D80-K83 PolarHBondContact OD2-NZ 3.16Å; D80-F84 VanDerWaalsContact O-CB 3.28Å; D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.37Å
81P96.5Very high94.8Very high95 Ų9587.6 Ų87.662%0.61740%0.403SS*.Hα-helixtrans-63.1-29.7-175.524.3-33.7000112.6R79 T85R79-P81 WeakPolarHBondContact O-CD 3.3Å; P81-T85 WeakPolarHBondContact O-CB 3.49Å; P81-T85 PolarHBondContact O-N 3.44Å; P81-T85 PolarHBondContact O-OG1 2.78Å
82K97.3Very high95.1Very high175 Ų17585.2 Ų85.276%0.76140%0.396SS*.Hα-helixtrans-70.2-47.7179.2-67-176.7179.1-179.70110.6D80 R86D80-K82 PolarHBondContact O-N 2.93Å; D80-K82 PolarHBondContact OD1-N 3.03Å; D80-K82 VanDerWaalsContact OD1-N 3.13Å; K82-R86 WeakPolarHBondContact O-CB 3.26Å; K82-R86 PolarHBondContact O-N 3.01Å; K82-R86 VanDerWaalsContact O-N 3.07Å
83K95.3Very high95.3Very high115 Ų11589.3 Ų89.350%0.542%0.416SS..Hα-helixtrans-65.5-42.5175.8-69.5-176.3-172.4114.80111.5D80 R86 V87D80-K83 HydrophobicContact CB-CB 4.05Å; D80-K83 HydrophobicContact CB-CD 4.26Å; D80-K83 HydrophobicContact CB-CG 4.29Å; D80-K83 VanDerWaalsContact CG-CG 3.5Å; D80-K83 PolarHBondContact O-N 3.34Å; D80-K83 PolarHBondContact OD1-N 3.27Å; D80-K83 WeakPolarHBondContact OD2-CD 3.28Å; D80-K83 VanDerWaalsContact OD2-CE 3.27Å; D80-K83 WeakPolarHBondContact OD2-CE 3.25Å; D80-K83 VanDerWaalsContact OD2-CG 3.31Å; D80-K83 WeakPolarHBondContact OD2-CG 3.23Å; D80-K83 IonicContact OD2-NZ 2.72Å; D80-K83 PolarHBondContact OD2-NZ 3.16Å; K83-R86 PolarHBondContact O-N 3.4Å; K83-V87 WeakPolarHBondContact O-CG2 3.27Å; K83-V87 PolarHBondContact O-N 2.82Å
84F94.9Very high95.5Very high74 Ų7492.3 Ų92.333%0.32543%0.432SS..Hα-helixtrans-57.9-53.1179.5-175.7-87000111.7W74 I77 D80 R86 V87 K88W74-F84 HydrophobicContact CD2-CE2 4.22Å; W74-F84 AromaticContact CE3-CD2 3.56Å; W74-F84 HydrophobicContact CE3-CD2 3.56Å; W74-F84 AromaticContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CG 4.44Å; W74-F84 AromaticContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CZ3-CD1 4.48Å; W74-F84 AromaticContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CE1 4.37Å; W74-F84 AromaticContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CG 4.16Å; W74-F84 AromaticContact CZ3-CZ 3.94Å; W74-F84 HydrophobicContact CZ3-CZ 3.94Å; I77-F84 HydrophobicContact CG1-CD2 4.16Å; D80-F84 VanDerWaalsContact O-CB 3.28Å; D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.37Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 2.88Å; F84-V87 PolarHBondContact O-N 2.96Å; F84-K88 PolarHBondContact O-N 3.31Å
85T96.2Very high95.7Very high73 Ų7393.1 Ų93.145%0.44844%0.438SS..Hα-helixtrans-59.8-45.3177.3-60.40000110.9P81 V87 K88 D89P81-T85 WeakPolarHBondContact O-CB 3.49Å; P81-T85 PolarHBondContact O-N 3.44Å; P81-T85 PolarHBondContact O-OG1 2.78Å; T85-V87 VanDerWaalsContact C-N 3.34Å; T85-V87 PolarHBondContact O-N 3.47Å; T85-K88 WeakPolarHBondContact O-CB 3.29Å; T85-K88 PolarHBondContact O-N 2.88Å; T85-K88 VanDerWaalsContact O-N 3.12Å; T85-D89 VanDerWaalsContact O-CG 3.24Å; T85-D89 PolarHBondContact O-N 3.36Å
86R96.4Very high95.8Very high144 Ų14493.3 Ų93.354%0.54344%0.443SS..Hα-helixtrans-58.9-44179.3-179.255.2176.6158.1-2.1112.9K82 K83 F84 K88 D89 L90K82-R86 WeakPolarHBondContact O-CB 3.26Å; K82-R86 PolarHBondContact O-N 3.01Å; K82-R86 VanDerWaalsContact O-N 3.07Å; K83-R86 PolarHBondContact O-N 3.4Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 2.88Å; R86-K88 VanDerWaalsContact C-N 3.34Å; R86-D89 PolarHBondContact O-N 2.91Å; R86-L90 HydrophobicContact CG-CD1 4.16Å; R86-L90 WeakPolarHBondContact O-CB 3.34Å; R86-L90 VanDerWaalsContact O-CG 3.29Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 2.96Å; R86-L90 VanDerWaalsContact O-N 3.08Å
87V94.6Very high95.9Very high39 Ų3994.9 Ų94.924%0.23645%0.452CS..Hα-helixtrans-64.8-40.9177.8170.90000110.5W74 I77 K83 F84 T85 D89 L90 L91W74-V87 HydrophobicContact CE3-CG1 4.46Å; W74-V87 HydrophobicContact CH2-CB 4.16Å; W74-V87 HydrophobicContact CH2-CG1 3.65Å; W74-V87 HydrophobicContact CZ2-CG1 4.16Å; W74-V87 HydrophobicContact CZ3-CB 4.07Å; W74-V87 HydrophobicContact CZ3-CG1 3.82Å; I77-V87 HydrophobicContact CD1-CB 3.82Å; I77-V87 HydrophobicContact CD1-CG1 4.06Å; I77-V87 HydrophobicContact CD1-CG2 3.7Å; K83-V87 WeakPolarHBondContact O-CG2 3.27Å; K83-V87 PolarHBondContact O-N 2.82Å; F84-V87 PolarHBondContact O-N 2.96Å; T85-V87 VanDerWaalsContact C-N 3.34Å; T85-V87 PolarHBondContact O-N 3.47Å; V87-D89 PolarHBondContact O-N 3.33Å; V87-L90 PolarHBondContact O-N 3.41Å; V87-L91 HydrophobicContact CG1-CD1 3.66Å; V87-L91 HydrophobicContact CG1-CG 4.32Å; V87-L91 VanDerWaalsContact O-CG 3.27Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.01Å
88K93.8Very high95.9Very high118 Ų118100.6 Ų100.651%0.51347%0.472SS..Hα-helixtrans-60.3-46.4176.7-173-178175.5-175.10112.2W74 F84 T85 R86 L91 T92W74-K88 HydrophobicContact CH2-CB 3.84Å; W74-K88 HydrophobicContact CZ3-CB 4.44Å; F84-K88 PolarHBondContact O-N 3.31Å; T85-K88 WeakPolarHBondContact O-CB 3.29Å; T85-K88 PolarHBondContact O-N 2.88Å; T85-K88 VanDerWaalsContact O-N 3.12Å; R86-K88 VanDerWaalsContact C-N 3.34Å; K88-L91 PolarHBondContact O-N 3.02Å; K88-T92 WeakPolarHBondContact O-CB 3.38Å; K88-T92 PolarHBondContact O-N 3.05Å; K88-T92 PolarHBondContact O-OG1 2.93Å
89D96.6Very high96Very high82 Ų82100.9 Ų100.944%0.43948%0.477SS..Hα-helixtrans-62.7-44.6179.2-61.9-20000111T85 R86 V87 L91 T92 M93T85-D89 VanDerWaalsContact O-CG 3.24Å; T85-D89 PolarHBondContact O-N 3.36Å; R86-D89 PolarHBondContact O-N 2.91Å; V87-D89 PolarHBondContact O-N 3.33Å; D89-L91 PolarHBondContact O-N 3.31Å; D89-T92 PolarHBondContact O-N 2.89Å; D89-M93 WeakPolarHBondContact O-CB 3.22Å; D89-M93 PolarHBondContact O-N 3.17Å
90L96.4Very high96Very high79 Ų7994 Ų9441%0.41446%0.464SS..Hα-helixtrans-62.8-42.3178.9-74.3173000112.7R86 V87 N94R86-L90 HydrophobicContact CG-CD1 4.16Å; R86-L90 WeakPolarHBondContact O-CB 3.34Å; R86-L90 VanDerWaalsContact O-CG 3.29Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 2.96Å; R86-L90 VanDerWaalsContact O-N 3.08Å; V87-L90 PolarHBondContact O-N 3.41Å; L90-N94 VanDerWaalsContact O-CB 3.32Å; L90-N94 WeakPolarHBondContact O-CB 3.48Å; L90-N94 PolarHBondContact O-N 3.08Å
91L94.5Very high95.9Very high61 Ų61100.1 Ų100.132%0.31948%0.483SS..Hα-helixtrans-69.7-39.9178.6-68.6166.2000112L70 W74 V87 K88 D89 N94 E95L70-L91 HydrophobicContact CD1-CD1 3.84Å; L70-L91 HydrophobicContact CD1-CD2 4.15Å; L70-L91 HydrophobicContact CD2-CD1 4.02Å; L70-L91 HydrophobicContact CG-CD1 4.38Å; W74-L91 HydrophobicContact CH2-CD1 3.93Å; W74-L91 HydrophobicContact CZ2-CD1 3.38Å; V87-L91 HydrophobicContact CG1-CD1 3.66Å; V87-L91 HydrophobicContact CG1-CG 4.32Å; V87-L91 VanDerWaalsContact O-CG 3.27Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.01Å; K88-L91 PolarHBondContact O-N 3.02Å; D89-L91 PolarHBondContact O-N 3.31Å; L91-N94 PolarHBondContact O-N 3.09Å; L91-E95 WeakPolarHBondContact O-CB 3.23Å; L91-E95 PolarHBondContact O-N 3.1Å
92T96.2Very high95.8Very high66 Ų66101.1 Ų101.141%0.40548%0.478SS..Hα-helixtrans-61.8-50.2176.5-55.60000110.2K88 D89 N94 E95 E96K88-T92 WeakPolarHBondContact O-CB 3.38Å; K88-T92 PolarHBondContact O-N 3.05Å; K88-T92 PolarHBondContact O-OG1 2.93Å; D89-T92 PolarHBondContact O-N 2.89Å; T92-N94 VanDerWaalsContact C-N 3.33Å; T92-N94 PolarHBondContact O-N 3.38Å; T92-E95 PolarHBondContact O-N 2.59Å; T92-E96 WeakPolarHBondContact O-CG 3.23Å; T92-E96 PolarHBondContact O-N 3.29Å
93M97.6Very high95.5Very high104 Ų10495.5 Ų95.551%0.51246%0.464SS..Hα-helixtrans-60.4-41.7177.7-177.9-177.3-68.400112D89 E95 E96 L97D89-M93 WeakPolarHBondContact O-CB 3.22Å; D89-M93 PolarHBondContact O-N 3.17Å; M93-E95 VanDerWaalsContact C-N 3.33Å; M93-E95 PolarHBondContact O-N 2.83Å; M93-E96 PolarHBondContact O-N 2.91Å; M93-L97 HydrophobicContact CG-CD1 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.44Å; M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.24Å; M93-L97 PolarHBondContact O-N 2.72Å
94N96.2Very high95.3Very high105 Ų10596 Ų9656%0.56147%0.466SS*.Hα-helixtrans-62.1-41.9177.4-17117.9000111.7L90 L91 T92 L97 R98L90-N94 VanDerWaalsContact O-CB 3.32Å; L90-N94 WeakPolarHBondContact O-CB 3.48Å; L90-N94 PolarHBondContact O-N 3.08Å; L91-N94 PolarHBondContact O-N 3.09Å; T92-N94 VanDerWaalsContact C-N 3.33Å; T92-N94 PolarHBondContact O-N 3.38Å; N94-L97 PolarHBondContact O-N 2.76Å; N94-R98 WeakPolarHBondContact O-CB 3.36Å; N94-R98 PolarHBondContact O-N 3.46Å
95E96.2Very high95.1Very high71 Ų7197.2 Ų97.233%0.33248%0.476SS..Hα-helixtrans-66.6-39.4177.3-17957.6-161.600112.3L91 T92 M93 R98 K99L91-E95 WeakPolarHBondContact O-CB 3.23Å; L91-E95 PolarHBondContact O-N 3.1Å; T92-E95 PolarHBondContact O-N 2.59Å; M93-E95 VanDerWaalsContact C-N 3.33Å; M93-E95 PolarHBondContact O-N 2.83Å; E95-R98 PolarHBondContact O-N 3.01Å; E95-R98 IonicContact OE1-CZ 3.46Å; E95-R98 IonicContact OE1-NE 2.81Å; E95-R98 IonicContact OE1-NH2 3.27Å; E95-R98 PolarHBondContact OE1-NH2 2.99Å; E95-R98 IonicContact OE2-CZ 2.67Å; E95-R98 IonicContact OE2-NE 3.53Å; E95-R98 PolarHBondContact OE2-NE 3.14Å; E95-R98 IonicContact OE2-NH2 3.73Å; E95-R98 PolarHBondContact OE2-NH2 2.91Å; E95-K99 WeakPolarHBondContact O-CG 3.34Å; E95-K99 PolarHBondContact O-N 2.97Å; E95-K99 WeakPolarHBondContact OE1-CE 3.46Å
96E96.9Very high94.6Very high119 Ų11999.4 Ų99.456%0.55648%0.482SS*.Hα-helixtrans-61.6-47.4173.3-72.5173.1175.500111.7T92 M93 R98 K99 A100T92-E96 WeakPolarHBondContact O-CG 3.23Å; T92-E96 PolarHBondContact O-N 3.29Å; M93-E96 PolarHBondContact O-N 2.91Å; E96-R98 VanDerWaalsContact C-N 3.3Å; E96-R98 PolarHBondContact O-N 3.25Å; E96-K99 PolarHBondContact O-N 2.56Å; E96-A100 WeakPolarHBondContact O-CB 3.23Å; E96-A100 PolarHBondContact O-N 2.98Å
97L96.6Very high93.8Very high88 Ų8896.2 Ų96.246%0.46149%0.486SS..Hα-helixtrans-60.9-39.4176-72171.6000111.8M93 N94 A100 R101M93-L97 HydrophobicContact CG-CD1 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.44Å; M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.24Å; M93-L97 PolarHBondContact O-N 2.72Å; N94-L97 PolarHBondContact O-N 2.76Å; L97-A100 PolarHBondContact O-N 2.84Å; L97-R101 WeakPolarHBondContact O-CB 3.35Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.42Å; L97-R101 PolarHBondContact O-N 3.32Å
98R96.2Very high92.8Very high132 Ų132100.8 Ų100.850%0.49850%0.503SS..Hα-helixtrans-63.9-45.2177.1-169.4-173.871.782-0.7111.6N94 E95 E96 K102N94-R98 WeakPolarHBondContact O-CB 3.36Å; N94-R98 PolarHBondContact O-N 3.46Å; E95-R98 PolarHBondContact O-N 3.01Å; E95-R98 IonicContact OE1-CZ 3.46Å; E95-R98 IonicContact OE1-NE 2.81Å; E95-R98 IonicContact OE1-NH2 3.27Å; E95-R98 PolarHBondContact OE1-NH2 2.99Å; E95-R98 IonicContact OE2-CZ 2.67Å; E95-R98 IonicContact OE2-NE 3.53Å; E95-R98 PolarHBondContact OE2-NE 3.14Å; E95-R98 IonicContact OE2-NH2 3.73Å; E95-R98 PolarHBondContact OE2-NH2 2.91Å; E96-R98 VanDerWaalsContact C-N 3.3Å; E96-R98 PolarHBondContact O-N 3.25Å; R98-K102 PolarHBondContact O-N 3.23Å; R98-K102 VanDerWaalsContact O-N 3.11Å
99K95.9Very high91Very high126 Ų126108 Ų10855%0.54853%0.529SS..Hα-helixtrans-63.3-45.1175.9-73175.8-177.7174.70111.8E95 E96 R101 K102 A103E95-K99 WeakPolarHBondContact O-CG 3.34Å; E95-K99 PolarHBondContact O-N 2.97Å; E95-K99 WeakPolarHBondContact OE1-CE 3.46Å; E96-K99 PolarHBondContact O-N 2.56Å; K99-R101 PolarHBondContact O-N 3.43Å; K99-K102 PolarHBondContact O-N 3.45Å; K99-A103 PolarHBondContact O-N 3.17Å
100A94.6Very high90.7Very high61 Ų61109.3 Ų109.350%0.50453%0.533SS..Hα-helixtrans-61.4-43.8179.500000112.1E96 L97 A103 F104E96-A100 WeakPolarHBondContact O-CB 3.23Å; E96-A100 PolarHBondContact O-N 2.98Å; L97-A100 PolarHBondContact O-N 2.84Å; A100-A103 PolarHBondContact O-N 3.12Å; A100-F104 PolarHBondContact O-N 3.03Å
101R94.3Very high90.4Very high175 Ų175110.9 Ų110.966%0.6654%0.54SS*.Hα-helixtrans-61.7-45.1175.3-72.9173.1-177.4-169.41.4112L97 K99 A103 F104 D105L97-R101 WeakPolarHBondContact O-CB 3.35Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.42Å; L97-R101 PolarHBondContact O-N 3.32Å; K99-R101 PolarHBondContact O-N 3.43Å; R101-A103 PolarHBondContact O-N 2.8Å; R101-F104 PolarHBondContact O-N 2.72Å; R101-D105 PolarHBondContact O-N 2.76Å
102K94.3Very high90.1Very high117 Ų117113.7 Ų113.751%0.50955%0.552SS.*Hα-helixtrans-60.2-45.4177.9-176.3175.6171179.40112.2R98 K99 F104 D105 E106R98-K102 PolarHBondContact O-N 3.23Å; R98-K102 VanDerWaalsContact O-N 3.11Å; K99-K102 PolarHBondContact O-N 3.45Å; K102-F104 VanDerWaalsContact C-N 3.3Å; K102-F104 PolarHBondContact O-N 3.19Å; K102-D105 PolarHBondContact O-N 2.86Å; K102-E106 WeakPolarHBondContact CE-OE1 3.46Å; K102-E106 IonicContact NZ-OE1 3.57Å; K102-E106 WeakPolarHBondContact O-CG 3.27Å; K102-E106 PolarHBondContact O-N 2.92Å
103A91.7Very high89.8Confident56 Ų56116.5 Ų116.546%0.46356%0.56SS.*Hα-helixtrans-63.1-36.5177.200000112.5K99 A100 R101 A107K99-A103 PolarHBondContact O-N 3.17Å; A100-A103 PolarHBondContact O-N 3.12Å; R101-A103 PolarHBondContact O-N 2.8Å; A103-A107 WeakPolarHBondContact O-CB 3.45Å; A103-A107 PolarHBondContact O-N 2.98Å
104F90.8Very high89.3Confident125 Ų125117.3 Ų117.355%0.54856%0.563SS.*Hα-helixtrans-68.1-38.2176.1-178-102.6000112.8A100 R101 K102 K108A100-F104 PolarHBondContact O-N 3.03Å; R101-F104 PolarHBondContact O-N 2.72Å; K102-F104 VanDerWaalsContact C-N 3.3Å; K102-F104 PolarHBondContact O-N 3.19Å; F104-K108 HydrophobicContact CE1-CD 4.4Å
105D90.3Very high88.8Confident100 Ų100118.1 Ų118.154%0.53556%0.564SS.*Hα-helixtrans-70.9-34.9176.7-67.9-25.9000111.8R101 K102R101-D105 PolarHBondContact O-N 2.76Å; K102-D105 PolarHBondContact O-N 2.86Å
106E87Confident88.3Confident120 Ų120121.4 Ų121.456%0.56158%0.58SS**Hα-helixtrans-70.9-35.2175.5-73.4173176.300112.7K102 K108K102-E106 WeakPolarHBondContact CE-OE1 3.46Å; K102-E106 IonicContact NZ-OE1 3.57Å; K102-E106 WeakPolarHBondContact O-CG 3.27Å; K102-E106 PolarHBondContact O-N 2.92Å; E106-K108 PolarHBondContact O-N 3.09Å
107A78.6Confident87.6Confident77 Ų77121.6 Ų121.664%0.63658%0.582SS**THydrogen-bonded Turntrans-75.1-5.1-179.900000114.6A103 Y109A103-A107 WeakPolarHBondContact O-CB 3.45Å; A103-A107 PolarHBondContact O-N 2.98Å; A107-Y109 PolarHBondContact O-N 3.36Å
108K73.3Confident86.9Confident135 Ų135124.4 Ų124.459%0.58759%0.592SS**THydrogen-bonded Turntrans-81.17.7178.1-83.6-175.9176.4177.20114.4F104 E106F104-K108 HydrophobicContact CE1-CD 4.4Å; E106-K108 PolarHBondContact O-N 3.09Å
109Y55.8Low86.1Confident269 Ų269123.7 Ų123.7100%1.05560%0.601SS**  trans-132.30174.1-66.2-80.9000110.6A107A107-Y109 PolarHBondContact O-N 3.36Å

Retrieved 109 of 109 residues in 65.4 ms (Link to these results)