A0A077ZKZ2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKZ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 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
1M62.8Low73.1Confident186 Ų186114.2 Ų114.292%0.91661%0.606SS**  0-60.10-69.7-64149.100112.3L3 L4 F5M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 3.04Å; M1-F5 PolarHBondContact O-N 3.5Å
2L67.7Low72.9Confident121 Ų121116.7 Ų116.763%0.63461%0.611SS**Hα-helixtrans-60.3-33.2-176.7-132.8154.1000115F5 L6L2-F5 WeakPolarHBondContact O-CB 3.46Å; L2-F5 PolarHBondContact O-N 3.25Å; L2-L6 HydrophobicContact CD2-CD1 4.16Å; L2-L6 PolarHBondContact O-N 2.85Å
3L69.6Low72.8Confident148 Ų148116.5 Ų116.578%0.77561%0.61SS**Hα-helixtrans-71.2-33.7-179.9-146144.3000112.5M1 L6 L7M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.25Å; L3-L6 PolarHBondContact O-N 3.33Å; L3-L7 PolarHBondContact O-N 3.38Å
4L75.9Confident72.4Confident119 Ų119115.7 Ų115.762%0.62361%0.606SS**Hα-helixtrans-68.1-39.2172.3-69.6166.6000110.7M1 L6 L7 G8M1-L4 PolarHBondContact O-N 3.04Å; L4-L6 VanDerWaalsContact C-N 3.35Å; L4-L6 PolarHBondContact O-N 3.11Å; L4-L7 PolarHBondContact O-N 3.05Å; L4-G8 PolarHBondContact O-N 3.48Å
5F72.6Confident71.9Confident165 Ų165114.7 Ų114.772%0.72461%0.613SS**Hα-helixtrans-61.9-40.4172.1-102.1-81.8000112.4M1 L2 G8 A9M1-F5 PolarHBondContact O-N 3.5Å; L2-F5 WeakPolarHBondContact O-CB 3.46Å; L2-F5 PolarHBondContact O-N 3.25Å; F5-G8 PolarHBondContact O-N 3.35Å; F5-A9 VanDerWaalsContact O-CB 3.25Å; F5-A9 WeakPolarHBondContact O-CB 3.32Å; F5-A9 PolarHBondContact O-N 3.32Å
6L76.4Confident71.1Confident111 Ų111112.1 Ų112.158%0.58161%0.612SS**Hα-helixtrans-67.1-40.6176.9-125.4101000111.9L2 L3 L4 A9 F10L2-L6 HydrophobicContact CD2-CD1 4.16Å; L2-L6 PolarHBondContact O-N 2.85Å; L3-L6 PolarHBondContact O-N 3.33Å; L4-L6 VanDerWaalsContact C-N 3.35Å; L4-L6 PolarHBondContact O-N 3.11Å; L6-A9 PolarHBondContact O-N 3.2Å; L6-F10 VanDerWaalsContact O-CB 3.31Å; L6-F10 WeakPolarHBondContact O-CB 3.42Å; L6-F10 PolarHBondContact O-N 3.36Å
7L77.3Confident70Confident111 Ų111109.9 Ų109.958%0.58160%0.603SS**Hα-helixtrans-67.8-40.3177.1-163.772.7000111.2L3 L4 F10 T11L3-L7 PolarHBondContact O-N 3.38Å; L4-L7 PolarHBondContact O-N 3.05Å; L7-F10 PolarHBondContact O-N 2.9Å; L7-T11 WeakPolarHBondContact O-CG2 3.44Å; L7-T11 PolarHBondContact O-N 2.83Å; L7-T11 PolarHBondContact O-OG1 3.01Å
8G76Confident68.7Low30 Ų30109.7 Ų109.731%0.30961%0.607SS.*Hα-helixtrans-61.8-45171.500000112.2L4 F5 F10 T11 H12L4-G8 PolarHBondContact O-N 3.48Å; F5-G8 PolarHBondContact O-N 3.35Å; G8-F10 VanDerWaalsContact C-N 3.33Å; G8-F10 PolarHBondContact O-N 3.49Å; G8-T11 VanDerWaalsContact CA-OG1 3.32Å; G8-T11 WeakPolarHBondContact CA-OG1 3.43Å; G8-T11 PolarHBondContact O-N 3.26Å; G8-T11 PolarHBondContact O-OG1 3.23Å; G8-H12 WeakPolarHBondContact O-CB 3.14Å; G8-H12 PolarHBondContact O-N 3.2Å
9A75.8Confident67.8Low57 Ų57110.7 Ų110.747%0.47161%0.611SS.*Hα-helixtrans-64.6-37.8174.400000111.6F5 L6 H12 L13F5-A9 VanDerWaalsContact O-CB 3.25Å; F5-A9 WeakPolarHBondContact O-CB 3.32Å; F5-A9 PolarHBondContact O-N 3.32Å; L6-A9 PolarHBondContact O-N 3.2Å; A9-H12 PolarHBondContact O-N 2.89Å; A9-L13 VanDerWaalsContact O-CB 3.26Å; A9-L13 WeakPolarHBondContact O-CB 3.34Å; A9-L13 PolarHBondContact O-N 3.42Å
10F75.6Confident66.8Low126 Ų126108.8 Ų108.855%0.55361%0.605SS**Hα-helixtrans-71-37.7178.7-151.5-94.4000112.1L6 L7 G8 L13 L14L6-F10 VanDerWaalsContact O-CB 3.31Å; L6-F10 WeakPolarHBondContact O-CB 3.42Å; L6-F10 PolarHBondContact O-N 3.36Å; L7-F10 PolarHBondContact O-N 2.9Å; G8-F10 VanDerWaalsContact C-N 3.33Å; G8-F10 PolarHBondContact O-N 3.49Å; F10-L13 PolarHBondContact O-N 3.46Å; F10-L14 HydrophobicContact CD1-CD1 3.62Å; F10-L14 HydrophobicContact CD1-CG 3.95Å; F10-L14 HydrophobicContact CE1-CD1 3.8Å; F10-L14 HydrophobicContact CE1-CD2 4.29Å; F10-L14 HydrophobicContact CE1-CG 4Å; F10-L14 WeakPolarHBondContact O-CB 3.26Å; F10-L14 VanDerWaalsContact O-CG 3.24Å; F10-L14 WeakPolarHBondContact O-CG 3.25Å; F10-L14 PolarHBondContact O-N 2.8Å
11T74.4Confident66Low82 Ų82110.7 Ų110.750%0.50361%0.609SS.*Hα-helixtrans-67.8-41.3173.145.50000111.3L7 G8 L14 S15L7-T11 WeakPolarHBondContact O-CG2 3.44Å; L7-T11 PolarHBondContact O-N 2.83Å; L7-T11 PolarHBondContact O-OG1 3.01Å; G8-T11 VanDerWaalsContact CA-OG1 3.32Å; G8-T11 WeakPolarHBondContact CA-OG1 3.43Å; G8-T11 PolarHBondContact O-N 3.26Å; G8-T11 PolarHBondContact O-OG1 3.23Å; T11-L14 PolarHBondContact O-N 3.43Å; T11-S15 WeakPolarHBondContact O-CB 3.33Å; T11-S15 PolarHBondContact O-N 2.97Å
12H70.9Confident65.2Low144 Ų144107.1 Ų107.167%0.66759%0.594SS**Hα-helixtrans-62.4-41.4170-112.2-67.8000112.2G8 A9 S15 A16G8-H12 WeakPolarHBondContact O-CB 3.14Å; G8-H12 PolarHBondContact O-N 3.2Å; A9-H12 PolarHBondContact O-N 2.89Å; H12-S15 PolarHBondContact O-N 2.87Å; H12-A16 WeakPolarHBondContact O-CB 3.24Å; H12-A16 PolarHBondContact O-N 3.49Å
13L72.1Confident64.2Low114 Ų114108 Ų10860%0.59760%0.595SS**Hα-helixtrans-65.7-43.8177.9-146.895.8000110.3A9 F10 S15 A16 V17A9-L13 VanDerWaalsContact O-CB 3.26Å; A9-L13 WeakPolarHBondContact O-CB 3.34Å; A9-L13 PolarHBondContact O-N 3.42Å; F10-L13 PolarHBondContact O-N 3.46Å; L13-S15 VanDerWaalsContact C-N 3.35Å; L13-A16 CarbonylContact O-C 3.33Å; L13-A16 PolarHBondContact O-N 2.81Å; L13-A16 VanDerWaalsContact O-N 3.15Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.3Å
14L66.1Low63.1Low106 Ų106104.4 Ų104.456%0.55558%0.579SS**Hα-helixtrans-64.5-37.2176.1-76.1171.7000112.2F10 T11 A16F10-L14 HydrophobicContact CD1-CD1 3.62Å; F10-L14 HydrophobicContact CD1-CG 3.95Å; F10-L14 HydrophobicContact CE1-CD1 3.8Å; F10-L14 HydrophobicContact CE1-CD2 4.29Å; F10-L14 HydrophobicContact CE1-CG 4Å; F10-L14 WeakPolarHBondContact O-CB 3.26Å; F10-L14 VanDerWaalsContact O-CG 3.24Å; F10-L14 WeakPolarHBondContact O-CG 3.25Å; F10-L14 PolarHBondContact O-N 2.8Å; T11-L14 PolarHBondContact O-N 3.43Å; L14-A16 VanDerWaalsContact C-N 3.33Å
15S65Low61.6Low100 Ų100102.2 Ų102.270%0.69957%0.567SS**Hα-helixtrans-68.3-33.3171.4169.20000112.3T11 H12 L13T11-S15 WeakPolarHBondContact O-CB 3.33Å; T11-S15 PolarHBondContact O-N 2.97Å; H12-S15 PolarHBondContact O-N 2.87Å; L13-S15 VanDerWaalsContact C-N 3.35Å
16A59.8Low60.3Low73 Ų7399.2 Ų99.260%0.60356%0.563SS**Hα-helixtrans-90.6-4.8179.400000113H12 L13 L14 P18H12-A16 WeakPolarHBondContact O-CB 3.24Å; H12-A16 PolarHBondContact O-N 3.49Å; L13-A16 CarbonylContact O-C 3.33Å; L13-A16 PolarHBondContact O-N 2.81Å; L13-A16 VanDerWaalsContact O-N 3.15Å; L14-A16 VanDerWaalsContact C-N 3.33Å; A16-P18 WeakPolarHBondContact O-CD 3.26Å; A16-P18 VanDerWaalsContact O-N 3.08Å
17V52Low58.8Low76 Ų76104.2 Ų104.246%0.46157%0.574SS.*SBendtrans-64.8108.1162.1172.50000103.2L13 I19L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.41Å; L13-V17 PolarHBondContact O-N 3.3Å; V17-I19 PolarHBondContact O-N 2.87Å
18P46.4Very low57Low105 Ų105105.5 Ų105.568%0.68258%0.577SS**  trans-56.3119.7167.926.1-31.6000104.3A16 S20A16-P18 WeakPolarHBondContact O-CD 3.26Å; A16-P18 VanDerWaalsContact O-N 3.08Å; P18-S20 VanDerWaalsContact C-N 3.27Å; P18-S20 WeakPolarHBondContact O-CA 3.31Å; P18-S20 PolarHBondContact O-N 3.39Å
19I52.5Low55.4Low130 Ų130110 Ų11067%0.66759%0.593SS**  trans-43108.3165.8-67.4162.7000103.6V17 Q21V17-I19 PolarHBondContact O-N 2.87Å; I19-Q21 PolarHBondContact O-N 2.86Å
20S47.8Very low53.8Low71 Ų71114.4 Ų114.450%0.49761%0.609SS.*  trans-57.2122.2-169.542.30000104.5P18 N22 E23P18-S20 VanDerWaalsContact C-N 3.27Å; P18-S20 WeakPolarHBondContact O-CA 3.31Å; P18-S20 PolarHBondContact O-N 3.39Å; S20-N22 PolarHBondContact O-N 3.41Å; S20-E23 PolarHBondContact O-N 2.8Å
21Q49.5Very low52.2Low149 Ų149112 Ų11270%0.69661%0.612SS**THydrogen-bonded Turntrans-52.3-7.7179.7-70.3171.1-27.400112I19 E23 V24 L25I19-Q21 PolarHBondContact O-N 2.86Å; Q21-E23 VanDerWaalsContact C-N 3.26Å; Q21-E23 PolarHBondContact O-N 3.36Å; Q21-V24 CarbonylContact O-C 3.48Å; Q21-V24 PolarHBondContact O-N 2.82Å; Q21-L25 HydrophobicContact CB-CD1 4.18Å; Q21-L25 WeakPolarHBondContact O-CA 3.28Å; Q21-L25 WeakPolarHBondContact O-CB 3.32Å; Q21-L25 WeakPolarHBondContact O-CD1 3.38Å; Q21-L25 WeakPolarHBondContact O-CG 3.47Å; Q21-L25 PolarHBondContact O-N 2.88Å
22N46.1Very low50.5Low112 Ų112109.9 Ų109.960%0.59961%0.607SS**Hα-helixtrans-54.8-31.9166.8-68.3-10000114.5S20 T26S20-N22 PolarHBondContact O-N 3.41Å; N22-T26 WeakPolarHBondContact O-CG2 3.02Å; N22-T26 PolarHBondContact O-N 3.4Å; N22-T26 PolarHBondContact O-OG1 3.13Å
23E46.9Very low49.6Very low139 Ų139108.8 Ų108.865%0.6561%0.613SS**Hα-helixtrans-80.5-31.3176.5-148.3170.6-154.900111.7S20 Q21 T26S20-E23 PolarHBondContact O-N 2.8Å; Q21-E23 VanDerWaalsContact C-N 3.26Å; Q21-E23 PolarHBondContact O-N 3.36Å; E23-T26 WeakPolarHBondContact CA-OG1 3.44Å; E23-T26 PolarHBondContact O-OG1 2.75Å
24V46.5Very low48.3Very low72 Ų72113.5 Ų113.544%0.43662%0.624SS.*Hα-helixtrans-75.9-32.6170.2-177.20000111.1Q21 T26 R27 E28Q21-V24 CarbonylContact O-C 3.48Å; Q21-V24 PolarHBondContact O-N 2.82Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-R27 CarbonylContact O-C 3.38Å; V24-R27 WeakPolarHBondContact O-CA 3.44Å; V24-R27 PolarHBondContact O-N 3.32Å; V24-E28 HydrophobicContact CG1-CG 4.17Å; V24-E28 WeakPolarHBondContact O-CB 3.31Å; V24-E28 PolarHBondContact O-N 2.8Å
25L43.4Very low47.1Very low74 Ų74112.7 Ų112.739%0.38763%0.627SS.*Hα-helixtrans-68.8-31.9172-88.3148.4000110Q21 R27 L29Q21-L25 HydrophobicContact CB-CD1 4.18Å; Q21-L25 WeakPolarHBondContact O-CA 3.28Å; Q21-L25 WeakPolarHBondContact O-CB 3.32Å; Q21-L25 WeakPolarHBondContact O-CD1 3.38Å; Q21-L25 WeakPolarHBondContact O-CG 3.47Å; Q21-L25 PolarHBondContact O-N 2.88Å; L25-R27 PolarHBondContact O-N 3.49Å; L25-L29 HydrophobicContact CD2-CB 4.39Å; L25-L29 HydrophobicContact CD2-CD1 3.57Å; L25-L29 WeakPolarHBondContact O-CA 3.39Å; L25-L29 WeakPolarHBondContact O-CB 3.35Å; L25-L29 PolarHBondContact O-N 3.1Å
26T45.9Very low45.9Very low101 Ų101111.9 Ų111.962%0.6262%0.621SS**Hα-helixtrans-68.2-13.7166.945.90000113.9N22 E23 V24N22-T26 WeakPolarHBondContact O-CG2 3.02Å; N22-T26 PolarHBondContact O-N 3.4Å; N22-T26 PolarHBondContact O-OG1 3.13Å; E23-T26 WeakPolarHBondContact CA-OG1 3.44Å; E23-T26 PolarHBondContact O-OG1 2.75Å; V24-T26 VanDerWaalsContact C-N 3.34Å
27R44.3Very low45.3Very low217 Ų217115.9 Ų115.982%0.81964%0.638SS**Hα-helixtrans-103.1-26.3173.5-78.2-173.8172.3-176.4-1.6114.3V24 L25V24-R27 CarbonylContact O-C 3.38Å; V24-R27 WeakPolarHBondContact O-CA 3.44Å; V24-R27 PolarHBondContact O-N 3.32Å; L25-R27 PolarHBondContact O-N 3.49Å
28E39.9Very low44.8Very low138 Ų138119.2 Ų119.265%0.64565%0.653SS**Hα-helixtrans-103.6-21.3-179.5-78.6-161.8157.400113.4V24 D30 A31V24-E28 HydrophobicContact CG1-CG 4.17Å; V24-E28 WeakPolarHBondContact O-CB 3.31Å; V24-E28 PolarHBondContact O-N 2.8Å; E28-D30 PolarHBondContact O-N 3.04Å; E28-A31 CarbonylContact O-C 3.48Å; E28-A31 WeakPolarHBondContact O-CA 3.47Å; E28-A31 PolarHBondContact O-N 3.16Å
29L42.5Very low44.6Very low125 Ų125117.2 Ų117.265%0.65465%0.645SS**THydrogen-bonded Turntrans-74.7-8.8173.5-151.889.8000112.2L25 A31L25-L29 HydrophobicContact CD2-CB 4.39Å; L25-L29 HydrophobicContact CD2-CD1 3.57Å; L25-L29 WeakPolarHBondContact O-CA 3.39Å; L25-L29 WeakPolarHBondContact O-CB 3.35Å; L25-L29 PolarHBondContact O-N 3.1Å; L29-A31 VanDerWaalsContact C-N 3.32Å
30D41.4Very low44.1Very low148 Ų148121.3 Ų121.379%0.79166%0.658SS**THydrogen-bonded Turntrans-83.2-5.6162.3-96.8-12.2000113.1E28E28-D30 PolarHBondContact O-N 3.04Å
31A43.8Very low44Very low76 Ų76127.4 Ų127.463%0.62867%0.67SS**  trans-121.637.5-179.100000112.2E28 L29E28-A31 CarbonylContact O-C 3.48Å; E28-A31 WeakPolarHBondContact O-CA 3.47Å; E28-A31 PolarHBondContact O-N 3.16Å; L29-A31 VanDerWaalsContact C-N 3.32Å
32G37.1Very low43.8Very low38 Ų38125.3 Ų125.339%0.39267%0.673SS.*  trans-81122.4166.300000111Y34 S35G32-Y34 PolarHBondContact O-N 2.94Å; G32-S35 PolarHBondContact O-N 2.72Å; G32-S35 VanDerWaalsContact O-N 3.09Å
33P52Low43.8Very low121 Ų121124.3 Ų124.379%0.78667%0.667SS**THydrogen-bonded Turntrans-68.24.2-174.525.5-33.2000115.5
34Y44.8Very low43.7Very low213 Ų213122.7 Ų122.784%0.83566%0.662SS**THydrogen-bonded Turntrans-126.817.1176.7-62.4-77.6000113.1G32 S36G32-Y34 PolarHBondContact O-N 2.94Å; Y34-S36 PolarHBondContact O-N 3.15Å
35S41.3Very low44Very low89 Ų89125.8 Ų125.862%0.62268%0.675SS**SBendtrans-75.369.8170.5-174.30000110.3G32G32-S35 PolarHBondContact O-N 2.72Å; G32-S35 VanDerWaalsContact O-N 3.09Å
36S40.9Very low44.5Very low83 Ų83128 Ų12858%0.5869%0.692SS**  trans62.1121-179.277.10000115.7Y34 L38Y34-S36 PolarHBondContact O-N 3.15Å; S36-L38 PolarHBondContact O-N 3.45Å
37T46.2Very low44.7Very low156 Ų156126 Ų12696%0.95768%0.682SS**  trans-59.532.7155.237.70000112.8A39T37-A39 PolarHBondContact O-N 2.84Å
38L41.6Very low45.2Very low146 Ų146124.2 Ų124.276%0.76468%0.683SS**  trans-97.464.4178.4-136.4152000109S36S36-L38 PolarHBondContact O-N 3.45Å
39A42Very low45.9Very low64 Ų64120.8 Ų120.853%0.52968%0.678SS.*  trans48108.9155.300000116.9T37 R41T37-A39 PolarHBondContact O-N 2.84Å; A39-R41 HydrophobicContact CB-CB 4.43Å; A39-R41 HydrophobicContact CB-CG 3.92Å; A39-R41 PolarHBondContact O-N 3.29Å
40K42.9Very low46.2Very low215 Ų215115.2 Ų115.294%0.93565%0.651SS**  -48.471.1128.9-74.3173.5169.8176.70109.8S42K40-S42 PolarHBondContact O-N 3.1Å
41R44.3Very low46.7Very low199 Ų199116.9 Ų116.975%0.75165%0.648SS**  trans-80.486.6151.8-84.8-179.6-178.6169.7-0.1103.7A39 L43A39-R41 HydrophobicContact CB-CB 4.43Å; A39-R41 HydrophobicContact CB-CG 3.92Å; A39-R41 PolarHBondContact O-N 3.29Å; R41-L43 PolarHBondContact O-N 2.97Å
42S46.1Very low47.1Very low106 Ų106120.3 Ų120.374%0.74165%0.651SS**  trans-48.5101.9154.245.10000106K40 D44K40-S42 PolarHBondContact O-N 3.1Å; S42-D44 PolarHBondContact O-N 3.37Å
43L45.4Very low47.9Very low91 Ų91123.4 Ų123.448%0.47666%0.655SS.*  trans-73.884.9179.8-150.7137.6000104.8R41 I45R41-L43 PolarHBondContact O-N 2.97Å; L43-I45 HydrophobicContact CD2-CG1 4.44Å; L43-I45 PolarHBondContact O-N 2.98Å; L43-I45 VanDerWaalsContact O-N 3.08Å
44D45.8Very low47.7Very low105 Ų105122.7 Ų122.756%0.56164%0.641SS**  trans-69.6103.2173.8-139.1-11000105.5S42 T46 S47S42-D44 PolarHBondContact O-N 3.37Å; D44-T46 VanDerWaalsContact CG-OG1 3.26Å; D44-T46 PolarHBondContact O-N 3.49Å; D44-T46 PolarHBondContact OD1-OG1 3.32Å; D44-T46 VanDerWaalsContact OD1-OG1 3.11Å; D44-S47 WeakPolarHBondContact O-CB 3.45Å; D44-S47 PolarHBondContact O-N 3.04Å
45I53Low48.3Very low136 Ų136115.3 Ų115.370%0.69762%0.618SS**THydrogen-bonded Turntrans-65.6-5.7-176.8-45.5168.8000110.5L43L43-I45 HydrophobicContact CD2-CG1 4.44Å; L43-I45 PolarHBondContact O-N 2.98Å; L43-I45 VanDerWaalsContact O-N 3.08Å
46T53Low49.1Very low121 Ų121116.9 Ų116.974%0.74262%0.62SS**THydrogen-bonded Turntrans-86.2-10.8173.853.30000113.6D44D44-T46 VanDerWaalsContact CG-OG1 3.26Å; D44-T46 PolarHBondContact O-N 3.49Å; D44-T46 PolarHBondContact OD1-OG1 3.32Å; D44-T46 VanDerWaalsContact OD1-OG1 3.11Å
47S51Low49.9Very low60 Ų60119 Ų11942%0.4262%0.623SS.*SBendtrans-90.8134.8178.4175.70000111.2D44 A49 G50D44-S47 WeakPolarHBondContact O-CB 3.45Å; D44-S47 PolarHBondContact O-N 3.04Å; S47-A49 PolarHBondContact O-N 2.96Å; S47-G50 PolarHBondContact O-N 2.75Å
48E55.2Low50.3Low179 Ų179116.9 Ų116.984%0.83660%0.603SS**Hα-helixtrans-48.1-34.6175.2-121.8175.3170.900112.7G50 Y51E48-G50 VanDerWaalsContact C-N 3.29Å; E48-G50 PolarHBondContact O-N 2.75Å; E48-Y51 PolarHBondContact O-N 2.93Å
49A54.7Low50.9Low65 Ų65115.8 Ų115.854%0.53759%0.593SS.*Hα-helixtrans-69.6-21.7177.900000114.1S47S47-A49 PolarHBondContact O-N 2.96Å
50G48.9Very low51.7Low9 Ų9114.5 Ų114.59%0.09359%0.586CS.*Hα-helixtrans-76.1-25.1174.600000113.2S47 E48 H54S47-G50 PolarHBondContact O-N 2.75Å; E48-G50 VanDerWaalsContact C-N 3.29Å; E48-G50 PolarHBondContact O-N 2.75Å; G50-H54 PolarHBondContact O-N 2.88Å
51Y50.2Low52.1Low183 Ų183109.3 Ų109.372%0.71857%0.565SS**Hα-helixtrans-72.3-41.7-178.3-143.1-89.2000111.6E48 Q53 H54 T55E48-Y51 PolarHBondContact O-N 2.93Å; Y51-Q53 PolarHBondContact O-N 3.4Å; Y51-H54 PolarHBondContact O-N 2.9Å; Y51-T55 PolarHBondContact O-N 3.03Å; Y51-T55 PolarHBondContact O-OG1 2.79Å; Y51-T55 VanDerWaalsContact O-OG1 3.06Å
52E53.6Low52.6Low148 Ų148105.1 Ų105.169%0.69256%0.557SS**Hα-helixtrans-63.2-40.2179.3-67-168.916000112.4H54 T55 D56E52-H54 VanDerWaalsContact C-N 3.33Å; E52-H54 PolarHBondContact O-N 3.28Å; E52-T55 WeakPolarHBondContact CA-OG1 3.47Å; E52-T55 PolarHBondContact O-N 3.03Å; E52-T55 PolarHBondContact O-OG1 2.69Å; E52-D56 PolarHBondContact O-N 3.4Å
53Q53.9Low53.2Low103 Ų103105.2 Ų105.248%0.48155%0.553SS.*Hα-helixtrans-68.4-30.1177.5-79.5-166.9-49.300113.4Y51 L57Y51-Q53 PolarHBondContact O-N 3.4Å; Q53-L57 PolarHBondContact O-N 2.63Å
54H47.5Very low53.7Low106 Ų106109.7 Ų109.749%0.49156%0.564SS.*Hα-helixtrans-71.1-39.5176.7-124.8-83.5000111.2G50 Y51 E52 D56 L57 E58G50-H54 PolarHBondContact O-N 2.88Å; Y51-H54 PolarHBondContact O-N 2.9Å; E52-H54 VanDerWaalsContact C-N 3.33Å; E52-H54 PolarHBondContact O-N 3.28Å; H54-D56 PolarHBondContact O-N 3.24Å; H54-L57 PolarHBondContact O-N 3.22Å; H54-E58 IonicContact ND1-OE1 3.85Å; H54-E58 WeakPolarHBondContact O-CG 3.36Å; H54-E58 PolarHBondContact O-N 2.71Å
55T57Low54.2Low57 Ų57109.8 Ų109.835%0.3556%0.563SS.*Hα-helixtrans-60.1-43.9175.519.40000112.5Y51 E52 L57 E58 H59Y51-T55 PolarHBondContact O-N 3.03Å; Y51-T55 PolarHBondContact O-OG1 2.79Å; Y51-T55 VanDerWaalsContact O-OG1 3.06Å; E52-T55 WeakPolarHBondContact CA-OG1 3.47Å; E52-T55 PolarHBondContact O-N 3.03Å; E52-T55 PolarHBondContact O-OG1 2.69Å; T55-L57 VanDerWaalsContact C-N 3.34Å; T55-L57 PolarHBondContact O-N 3.35Å; T55-E58 PolarHBondContact O-N 2.98Å; T55-H59 PolarHBondContact O-N 3.2Å; T55-H59 PolarHBondContact O-ND1 2.9Å
56D57.2Low54.3Low123 Ų123113.2 Ų113.266%0.65857%0.568SS**Hα-helixtrans-65.1-38179.6-78.6-12.1000112.5E52 H54 H59 G60E52-D56 PolarHBondContact O-N 3.4Å; H54-D56 PolarHBondContact O-N 3.24Å; D56-H59 PolarHBondContact O-N 2.91Å; D56-G60 PolarHBondContact O-N 2.97Å
57L57.8Low54.2Low126 Ų126109.7 Ų109.766%0.6656%0.555SS**Hα-helixtrans-68.5-38.6178.3-124.5125.3000111.7Q53 H54 T55 G60 H61Q53-L57 PolarHBondContact O-N 2.63Å; H54-L57 PolarHBondContact O-N 3.22Å; T55-L57 VanDerWaalsContact C-N 3.34Å; T55-L57 PolarHBondContact O-N 3.35Å; L57-G60 PolarHBondContact O-N 3Å; L57-H61 PolarHBondContact O-N 3.39Å
58E54.3Low54.2Low113 Ų113110.2 Ų110.253%0.52856%0.563SS.*Hα-helixtrans-67.3-41.5174.7-73.5-170.8-176.900112.2H54 T55 G60 H61 L62H54-E58 IonicContact ND1-OE1 3.85Å; H54-E58 WeakPolarHBondContact O-CG 3.36Å; H54-E58 PolarHBondContact O-N 2.71Å; T55-E58 PolarHBondContact O-N 2.98Å; E58-G60 PolarHBondContact O-N 3.25Å; E58-H61 PolarHBondContact O-N 3Å; E58-L62 WeakPolarHBondContact O-CG 3.45Å; E58-L62 PolarHBondContact O-N 3.49Å
59H55.6Low53.9Low122 Ų122109.6 Ų109.657%0.56556%0.56SS**Hα-helixtrans-62.7-42.2175.5-76.478.6000111.5T55 D56 H61 L62 V63T55-H59 PolarHBondContact O-N 3.2Å; T55-H59 PolarHBondContact O-ND1 2.9Å; D56-H59 PolarHBondContact O-N 2.91Å; H59-H61 VanDerWaalsContact C-N 3.33Å; H59-H61 PolarHBondContact O-N 3.38Å; H59-L62 PolarHBondContact O-N 2.85Å; H59-V63 VanDerWaalsContact O-CG2 3.31Å; H59-V63 WeakPolarHBondContact O-CG2 2.86Å; H59-V63 PolarHBondContact O-N 3.34Å
60G57.4Low53.6Low37 Ų37113 Ų11338%0.38157%0.565SS.*Hα-helixtrans-62.6-37.5175.400000113.2D56 L57 E58 R64D56-G60 PolarHBondContact O-N 2.97Å; L57-G60 PolarHBondContact O-N 3Å; E58-G60 PolarHBondContact O-N 3.25Å; G60-R64 PolarHBondContact O-N 3.33Å
61H52.7Low53.8Low106 Ų106119 Ų11949%0.49160%0.603SS.*Hα-helixtrans-71.5-39.8176.8-120.9-85.4000112.4L57 E58 H59 R64 L65L57-H61 PolarHBondContact O-N 3.39Å; E58-H61 PolarHBondContact O-N 3Å; H59-H61 VanDerWaalsContact C-N 3.33Å; H59-H61 PolarHBondContact O-N 3.38Å; H61-R64 PolarHBondContact O-N 3.47Å; H61-L65 WeakPolarHBondContact O-CG 3.38Å; H61-L65 PolarHBondContact O-N 3.1Å
62L54.6Low53.8Low112 Ų112112.3 Ų112.359%0.58659%0.589SS**Hα-helixtrans-65.6-37.7175.4-73.1173.5000112.1E58 H59 L65 R66E58-L62 WeakPolarHBondContact O-CG 3.45Å; E58-L62 PolarHBondContact O-N 3.49Å; H59-L62 PolarHBondContact O-N 2.85Å; L62-L65 PolarHBondContact O-N 3.05Å; L62-R66 WeakPolarHBondContact O-CB 3.36Å; L62-R66 PolarHBondContact O-N 3.23Å
63V58.2Low53.6Low107 Ų107109.2 Ų109.265%0.64859%0.589SS**Hα-helixtrans-65.3-38.9174.2172.40000111.4H59 G67H59-V63 VanDerWaalsContact O-CG2 3.31Å; H59-V63 WeakPolarHBondContact O-CG2 2.86Å; H59-V63 PolarHBondContact O-N 3.34Å; V63-G67 PolarHBondContact O-N 2.87Å
64R57.2Low53.4Low186 Ų186112.3 Ų112.370%0.70261%0.608SS**Hα-helixtrans-67-38174-80.1-174.7-169.31494.9112.9G60 H61 G67 A68G60-R64 PolarHBondContact O-N 3.33Å; H61-R64 PolarHBondContact O-N 3.47Å; R64-G67 PolarHBondContact O-N 2.94Å; R64-A68 PolarHBondContact O-N 3.32Å; R64-A68 VanDerWaalsContact O-N 3.13Å
65L55.2Low53.6Low106 Ų106113.5 Ų113.556%0.55562%0.617SS**Hα-helixtrans-71.1-39.5177.4-72.4170.5000111.7H61 L62 G67 A68 E69H61-L65 WeakPolarHBondContact O-CG 3.38Å; H61-L65 PolarHBondContact O-N 3.1Å; L62-L65 PolarHBondContact O-N 3.05Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.08Å; L65-A68 WeakPolarHBondContact O-CB 3.49Å; L65-A68 PolarHBondContact O-N 3.09Å; L65-E69 PolarHBondContact O-N 2.91Å
66R55.4Low53.3Low209 Ų209116.5 Ų116.579%0.78964%0.637SS**Hα-helixtrans-62.6-37.2171.9-175.8-178.8-100-167-4.5111.8L62 A68 E69L62-R66 WeakPolarHBondContact O-CB 3.36Å; L62-R66 PolarHBondContact O-N 3.23Å; R66-A68 PolarHBondContact O-N 3.24Å; R66-E69 PolarHBondContact O-N 3.11Å
67G50.3Low53.3Low47 Ų47115.2 Ų115.249%0.48563%0.633SS.*Hα-helixtrans-69.4-17.1172.700000114.4V63 R64 L65V63-G67 PolarHBondContact O-N 2.87Å; R64-G67 PolarHBondContact O-N 2.94Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.08Å
68A52.2Low53.4Low70 Ų70111.8 Ų111.858%0.57962%0.62SS**Hα-helixtrans-87.5-11.9176.400000113.2R64 L65 R66 E70R64-A68 PolarHBondContact O-N 3.32Å; R64-A68 VanDerWaalsContact O-N 3.13Å; L65-A68 WeakPolarHBondContact O-CB 3.49Å; L65-A68 PolarHBondContact O-N 3.09Å; R66-A68 PolarHBondContact O-N 3.24Å; A68-E70 PolarHBondContact O-N 2.89Å
69E47.9Very low53.6Low167 Ų167111.2 Ų111.278%0.7863%0.626SS**THydrogen-bonded Turntrans-77.58.6168.4-73.6-165.5157.700113.2L65 R66 P71L65-E69 PolarHBondContact O-N 2.91Å; R66-E69 PolarHBondContact O-N 3.11Å; E69-P71 WeakPolarHBondContact O-CD 3.4Å
70E48.8Very low53.8Low137 Ų137112 Ų11264%0.6463%0.63SS**  trans-67.9108.8162.8-81.1-87.314500109A68 G72 A73A68-E70 PolarHBondContact O-N 2.89Å; E70-G72 PolarHBondContact O-N 3.21Å; E70-A73 PolarHBondContact O-N 3.35Å
71P52Low54Low135 Ų135115.9 Ų115.988%0.87764%0.638SS**THydrogen-bonded Turntrans-75.634.2-175.333.8-34.5000112.9E69E69-P71 WeakPolarHBondContact O-CD 3.4Å
72G50Low54.2Low41 Ų41116.4 Ų116.442%0.42364%0.641SS.*THydrogen-bonded Turntrans-128.2-17.3179.200000114.9E70 L74E70-G72 PolarHBondContact O-N 3.21Å; G72-L74 PolarHBondContact O-N 2.7Å
73A49.6Very low54.4Low84 Ų84117 Ų11769%0.69464%0.64SS**THydrogen-bonded Turntrans-77.9-18.8-173.900000114.3E70E70-A73 PolarHBondContact O-N 3.35Å
74L50.7Low54.4Low168 Ų168117.4 Ų117.488%0.8864%0.635SS**THydrogen-bonded Turntrans-101.214.9178.4-66.9175.5000113.5G72 P76G72-L74 PolarHBondContact O-N 2.7Å; L74-P76 WeakPolarHBondContact O-CD 3.16Å; L74-P76 VanDerWaalsContact O-N 3.09Å
75L52Low54.5Low131 Ų131118.2 Ų118.269%0.68664%0.639SS**SBendtrans-58.9120.2168.7-75.3175.7000108V77L75-V77 PolarHBondContact O-N 2.94Å
76P51Low54.5Low120 Ų120119.3 Ų119.378%0.77964%0.639SS**  trans-58.8115.2-179.223.2-32000107.5L74 S78L74-P76 WeakPolarHBondContact O-CD 3.16Å; L74-P76 VanDerWaalsContact O-N 3.09Å; P76-S78 PolarHBondContact O-N 2.93Å
77V55.9Low54.6Low95 Ų95116.4 Ų116.458%0.57663%0.632SS**  trans-49.2111.3176.5175.60000107.3L75 Q81L75-V77 PolarHBondContact O-N 2.94Å; V77-Q81 HydrophobicContact CG1-CB 3.96Å
78S59.2Low55.2Low55 Ų55125 Ų12539%0.38565%0.65SS.*  trans-45.1134.8-174.5167.20000110.6P76 E80 Q81P76-S78 PolarHBondContact O-N 2.93Å; S78-E80 PolarHBondContact O-N 3.26Å; S78-Q81 PolarHBondContact O-N 2.92Å
79P59.1Low56Low100 Ų100123.1 Ų123.165%0.64964%0.638SS**Hα-helixtrans-54.2-23.5-17520.8-33.2000113.2H82 Q83P79-H82 PolarHBondContact O-N 3.2Å; P79-Q83 WeakPolarHBondContact O-CG 3.43Å; P79-Q83 PolarHBondContact O-N 2.76Å
80E60.9Low57.1Low139 Ų139122.1 Ų122.165%0.6564%0.636SS**Hα-helixtrans-64.6-39176.6-59.8-168.6165.700113.4S78 Q83 Q84S78-E80 PolarHBondContact O-N 3.26Å; E80-Q83 PolarHBondContact O-N 3.25Å; E80-Q84 PolarHBondContact O-N 2.83Å
81Q60.8Low58.2Low119 Ų119116.7 Ų116.756%0.55662%0.617SS**Hα-helixtrans-70.6-35.1178.9-73.2-171.7-9.500111.8V77 S78 Q83 Q84 R85V77-Q81 HydrophobicContact CG1-CB 3.96Å; S78-Q81 PolarHBondContact O-N 2.92Å; Q81-Q83 VanDerWaalsContact C-N 3.32Å; Q81-Q83 PolarHBondContact O-N 2.99Å; Q81-Q84 PolarHBondContact O-N 3.01Å; Q81-R85 PolarHBondContact O-N 3.08Å; Q81-R85 VanDerWaalsContact O-N 3.1Å
82H56.8Low59.3Low116 Ų116117.1 Ų117.154%0.53761%0.605SS.*Hα-helixtrans-64.4-38.3176.7-138.5-80.8000111.6P79 Q84 R85 F86P79-H82 PolarHBondContact O-N 3.2Å; H82-Q84 PolarHBondContact O-N 2.88Å; H82-R85 PolarHBondContact O-N 3.04Å; H82-F86 AromaticContact ND1-CD2 3.96Å; H82-F86 PolarHBondContact O-N 3.02Å; H82-F86 VanDerWaalsContact O-N 3.08Å
83Q58.7Low60.7Low124 Ų124123 Ų12358%0.57962%0.619SS**Hα-helixtrans-64.9-37.9174.5-68.6-172.914.300112.5P79 E80 Q81 F86 K87P79-Q83 WeakPolarHBondContact O-CG 3.43Å; P79-Q83 PolarHBondContact O-N 2.76Å; E80-Q83 PolarHBondContact O-N 3.25Å; Q81-Q83 VanDerWaalsContact C-N 3.32Å; Q81-Q83 PolarHBondContact O-N 2.99Å; Q83-F86 PolarHBondContact O-N 3.06Å; Q83-K87 WeakPolarHBondContact O-CG 3.38Å; Q83-K87 PolarHBondContact O-N 3.08Å
84Q59.1Low62.1Low116 Ų116124.5 Ų124.554%0.54262%0.615SS.*Hα-helixtrans-67-41177.7-69.5-170.217.200112.3E80 Q81 H82 F86 K87 R88E80-Q84 PolarHBondContact O-N 2.83Å; Q81-Q84 PolarHBondContact O-N 3.01Å; H82-Q84 PolarHBondContact O-N 2.88Å; Q84-F86 VanDerWaalsContact C-N 3.35Å; Q84-F86 PolarHBondContact O-N 3.4Å; Q84-K87 WeakPolarHBondContact O-CB 3.49Å; Q84-K87 PolarHBondContact O-N 3.5Å; Q84-R88 PolarHBondContact O-N 2.97Å
85R58.4Low63.4Low204 Ų204122.6 Ų122.677%0.7760%0.599SS**Hα-helixtrans-62.4-41.1172.9-73.6-171.4-178.7-1622111.6Q81 H82 K87 R88 G89Q81-R85 PolarHBondContact O-N 3.08Å; Q81-R85 VanDerWaalsContact O-N 3.1Å; H82-R85 PolarHBondContact O-N 3.04Å; R85-K87 VanDerWaalsContact C-N 3.31Å; R85-K87 PolarHBondContact O-N 3.25Å; R85-R88 PolarHBondContact O-N 3.37Å; R85-G89 PolarHBondContact O-N 2.84Å
86F55.9Low64.9Low129 Ų129123.8 Ų123.857%0.56660%0.599SS**Hα-helixtrans-61.7-35.7174.3-106.7-82.4000113.3H82 Q83 Q84 R88H82-F86 AromaticContact ND1-CD2 3.96Å; H82-F86 PolarHBondContact O-N 3.02Å; H82-F86 VanDerWaalsContact O-N 3.08Å; Q83-F86 PolarHBondContact O-N 3.06Å; Q84-F86 VanDerWaalsContact C-N 3.35Å; Q84-F86 PolarHBondContact O-N 3.4Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 3.46Å
87K56.7Low66.3Low147 Ų147125.5 Ų125.564%0.63959%0.594SS**Hα-helixtrans-66.8-28.7176.7-79.6176.6-179.1175.20113Q83 Q84 R85 K92Q83-K87 WeakPolarHBondContact O-CG 3.38Å; Q83-K87 PolarHBondContact O-N 3.08Å; Q84-K87 WeakPolarHBondContact O-CB 3.49Å; Q84-K87 PolarHBondContact O-N 3.5Å; R85-K87 VanDerWaalsContact C-N 3.31Å; R85-K87 PolarHBondContact O-N 3.25Å; K87-K92 WeakPolarHBondContact O-CD 3.36Å
88R62.4Low67.5Low227 Ų227129.9 Ų129.986%0.85760%0.6SS**Hα-helixtrans-102-16.4-178-64.5-175.7179.7175.11.2114.5Q84 R85 F86Q84-R88 PolarHBondContact O-N 2.97Å; R85-R88 PolarHBondContact O-N 3.37Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 3.46Å
89G69.8Low68.6Low32 Ų32134.7 Ų134.733%0.3361%0.61SS.*SBendtrans-95.8-171.1-172.100000117.5R85 G91 K92R85-G89 PolarHBondContact O-N 2.84Å; G89-G91 PolarHBondContact O-N 3.18Å; G89-K92 PolarHBondContact O-N 3.49Å
90I72Confident69.7Low146 Ų146133.5 Ų133.575%0.74960%0.604SS**Hα-helixtrans-48-32.8176.5-63.5167.6000111.9K92 K93 L94I90-K92 VanDerWaalsContact C-N 3.28Å; I90-K92 PolarHBondContact O-N 3.37Å; I90-K93 WeakPolarHBondContact O-CB 3.47Å; I90-K93 PolarHBondContact O-N 2.93Å; I90-L94 PolarHBondContact O-N 3.21Å
91G71.7Confident70.6Confident22 Ų22131.2 Ų131.223%0.22760%0.6CS.*Hα-helixtrans-54.7-37.3175.900000114.1G89 K95G89-G91 PolarHBondContact O-N 3.18Å; G91-K95 VanDerWaalsContact O-CB 3.24Å; G91-K95 WeakPolarHBondContact O-CB 3.37Å; G91-K95 PolarHBondContact O-N 2.91Å
92K74.9Confident71.5Confident144 Ų144132.8 Ų132.863%0.62660%0.604SS**Hα-helixtrans-68-39.9175.4-171.6177.3179.5-1790111.7K87 G89 I90 K96K87-K92 WeakPolarHBondContact O-CD 3.36Å; G89-K92 PolarHBondContact O-N 3.49Å; I90-K92 VanDerWaalsContact C-N 3.28Å; I90-K92 PolarHBondContact O-N 3.37Å; K92-K96 WeakPolarHBondContact O-CB 3.33Å; K92-K96 PolarHBondContact O-N 3.29Å
93K79.7Confident72.7Confident165 Ų165134.5 Ų134.572%0.71761%0.61SS**Hα-helixtrans-64.8-45.5176.4-70-177.2178.5177.90110.8I90 K96 K97I90-K93 WeakPolarHBondContact O-CB 3.47Å; I90-K93 PolarHBondContact O-N 2.93Å; K93-K96 PolarHBondContact O-N 3.37Å; K93-K97 PolarHBondContact O-N 3Å
94L78.1Confident73.7Confident116 Ų116130.2 Ų130.261%0.60760%0.6SS**Hα-helixtrans-61.9-47.1176.3-169.770.7000111.3I90 K96 K97 W98I90-L94 PolarHBondContact O-N 3.21Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.46Å; L94-K97 PolarHBondContact O-N 2.94Å; L94-W98 WeakPolarHBondContact O-CB 3.47Å; L94-W98 PolarHBondContact O-N 3.45Å
95K79.2Confident74.6Confident128 Ų128129 Ų12956%0.55760%0.6SS**Hα-helixtrans-59.6-38.8175.6-172.5173.8-175.6171.30112.3G91 R99G91-K95 VanDerWaalsContact O-CB 3.24Å; G91-K95 WeakPolarHBondContact O-CB 3.37Å; G91-K95 PolarHBondContact O-N 2.91Å; K95-R99 WeakPolarHBondContact O-CB 3.46Å; K95-R99 WeakPolarHBondContact O-CG 3.49Å; K95-R99 PolarHBondContact O-N 3.22Å
96K82.1Confident75.5Confident156 Ų156122 Ų12268%0.67858%0.582SS**Hα-helixtrans-65.9-46.8175.7-168.2178.5-179-176.90111.1K92 K93 L94 W98 R99 S100K92-K96 WeakPolarHBondContact O-CB 3.33Å; K92-K96 PolarHBondContact O-N 3.29Å; K93-K96 PolarHBondContact O-N 3.37Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.46Å; K96-W98 PolarHBondContact O-N 2.79Å; K96-R99 PolarHBondContact O-N 3.44Å; K96-S100 PolarHBondContact O-N 3.31Å; K96-S100 VanDerWaalsContact O-N 3.08Å; K96-S100 PolarHBondContact O-OG 3.35Å
97K80.3Confident76.6Confident156 Ų156123 Ų12368%0.67859%0.587SS**Hα-helixtrans-58.4-47174.5-77.9-169.6174.4-171.90111.4K93 L94 R99 S100 V101K93-K97 PolarHBondContact O-N 3Å; L94-K97 PolarHBondContact O-N 2.94Å; K97-R99 VanDerWaalsContact C-N 3.35Å; K97-R99 PolarHBondContact O-N 3.23Å; K97-S100 WeakPolarHBondContact O-CB 3.39Å; K97-S100 PolarHBondContact O-N 3.43Å; K97-S100 VanDerWaalsContact O-N 3.1Å; K97-V101 WeakPolarHBondContact O-CG2 3.44Å; K97-V101 PolarHBondContact O-N 3.01Å
98W82.4Confident77.4Confident187 Ų187121.1 Ų121.171%0.70858%0.583SS**Hα-helixtrans-61.2-40.9178.9-161.1-92.8000112.8L94 K96 S100 V101 K102L94-W98 WeakPolarHBondContact O-CB 3.47Å; L94-W98 PolarHBondContact O-N 3.45Å; K96-W98 PolarHBondContact O-N 2.79Å; W98-S100 VanDerWaalsContact C-N 3.34Å; W98-S100 PolarHBondContact O-N 3.06Å; W98-V101 PolarHBondContact O-N 3.37Å; W98-K102 WeakPolarHBondContact O-CB 3.24Å; W98-K102 PolarHBondContact O-N 3.34Å
99R81.3Confident78.1Confident155 Ų155113 Ų11359%0.58556%0.564SS**Hα-helixtrans-61.8-40.8174-78.2177.4174.8-170.3-3.5112K95 K96 K97 K103K95-R99 WeakPolarHBondContact O-CB 3.46Å; K95-R99 WeakPolarHBondContact O-CG 3.49Å; K95-R99 PolarHBondContact O-N 3.22Å; K96-R99 PolarHBondContact O-N 3.44Å; K97-R99 VanDerWaalsContact C-N 3.35Å; K97-R99 PolarHBondContact O-N 3.23Å; R99-K103 WeakPolarHBondContact O-CG 3.45Å; R99-K103 PolarHBondContact O-N 3.47Å
100S81.9Confident78.3Confident76 Ų76118.2 Ų118.253%0.53158%0.577SS.*Hα-helixtrans-65.6-44.5176.2-63.80000112K96 K97 W98 K103 G104K96-S100 PolarHBondContact O-N 3.31Å; K96-S100 VanDerWaalsContact O-N 3.08Å; K96-S100 PolarHBondContact O-OG 3.35Å; K97-S100 WeakPolarHBondContact O-CB 3.39Å; K97-S100 PolarHBondContact O-N 3.43Å; K97-S100 VanDerWaalsContact O-N 3.1Å; W98-S100 VanDerWaalsContact C-N 3.34Å; W98-S100 PolarHBondContact O-N 3.06Å; S100-K103 WeakPolarHBondContact O-CB 3.49Å; S100-K103 PolarHBondContact O-N 3.02Å; S100-G104 PolarHBondContact O-N 3.45Å
101V79.9Confident78.5Confident91 Ų91115.6 Ų115.655%0.55257%0.565SS**Hα-helixtrans-60.6-47.7175.8174.40000110.7K97 W98 K103 G104 V105K97-V101 WeakPolarHBondContact O-CG2 3.44Å; K97-V101 PolarHBondContact O-N 3.01Å; W98-V101 PolarHBondContact O-N 3.37Å; V101-K103 VanDerWaalsContact C-N 3.27Å; V101-K103 PolarHBondContact O-N 3.43Å; V101-G104 WeakPolarHBondContact O-CA 3.47Å; V101-G104 PolarHBondContact O-N 3.32Å; V101-V105 HydrophobicContact CG1-CG2 4.33Å; V101-V105 WeakPolarHBondContact O-CG2 3.42Å; V101-V105 PolarHBondContact O-N 2.73Å
102K81.1Confident78.5Confident151 Ų151117.6 Ų117.666%0.65757%0.573SS**Hα-helixtrans-58.2-39177.2-169.7177.7-178.5176.10112.1W98 S106W98-K102 WeakPolarHBondContact O-CB 3.24Å; W98-K102 PolarHBondContact O-N 3.34Å; K102-S106 VanDerWaalsContact O-CB 3.31Å; K102-S106 WeakPolarHBondContact O-CB 3.46Å; K102-S106 PolarHBondContact O-N 3.49Å
103K81.8Confident78.3Confident153 Ų153118.7 Ų118.767%0.66558%0.577SS**Hα-helixtrans-65.2-42.2174.2-76.8-177.9178.9-171.30111.9R99 S100 V101 S106 K107R99-K103 WeakPolarHBondContact O-CG 3.45Å; R99-K103 PolarHBondContact O-N 3.47Å; S100-K103 WeakPolarHBondContact O-CB 3.49Å; S100-K103 PolarHBondContact O-N 3.02Å; V101-K103 VanDerWaalsContact C-N 3.27Å; V101-K103 PolarHBondContact O-N 3.43Å; K103-S106 PolarHBondContact O-N 3.1Å; K103-K107 WeakPolarHBondContact O-CG 3.48Å; K103-K107 PolarHBondContact O-N 3.45Å
104G78.7Confident77.9Confident34 Ų34119.2 Ų119.235%0.35158%0.58SS.*Hα-helixtrans-59.8-50.6175.200000112.2S100 V101 S106 K107 L108S100-G104 PolarHBondContact O-N 3.45Å; V101-G104 WeakPolarHBondContact O-CA 3.47Å; V101-G104 PolarHBondContact O-N 3.32Å; G104-S106 VanDerWaalsContact C-N 3.33Å; G104-S106 PolarHBondContact O-N 3.21Å; G104-K107 PolarHBondContact O-N 3.41Å; G104-L108 PolarHBondContact O-N 3.25Å
105V77.6Confident77.6Confident90 Ų90119.6 Ų119.655%0.54559%0.587SS.*Hα-helixtrans-60.5-41.6176.8176.70000111.3V101 K107 L108 A109V101-V105 HydrophobicContact CG1-CG2 4.33Å; V101-V105 WeakPolarHBondContact O-CG2 3.42Å; V101-V105 PolarHBondContact O-N 2.73Å; V105-K107 PolarHBondContact O-N 2.97Å; V105-L108 PolarHBondContact O-N 3.07Å; V105-A109 WeakPolarHBondContact O-CB 3.4Å; V105-A109 PolarHBondContact O-N 3.43Å
106S78.3Confident76.8Confident58 Ų58118.6 Ų118.641%0.40659%0.587SS.*Hα-helixtrans-63.5-39177.2-177.30000112.7K102 K103 G104 A109 K110K102-S106 VanDerWaalsContact O-CB 3.31Å; K102-S106 WeakPolarHBondContact O-CB 3.46Å; K102-S106 PolarHBondContact O-N 3.49Å; K103-S106 PolarHBondContact O-N 3.1Å; G104-S106 VanDerWaalsContact C-N 3.33Å; G104-S106 PolarHBondContact O-N 3.21Å; S106-A109 PolarHBondContact O-N 3.28Å; S106-K110 WeakPolarHBondContact O-CG 3.5Å; S106-K110 PolarHBondContact O-N 3.33Å
107K78.3Confident75.9Confident150 Ų150116.2 Ų116.265%0.65259%0.587SS**Hα-helixtrans-64.7-43.9174.6-75.1-175.2178.3-173.10111.5K103 G104 V105 K110 N111K103-K107 WeakPolarHBondContact O-CG 3.48Å; K103-K107 PolarHBondContact O-N 3.45Å; G104-K107 PolarHBondContact O-N 3.41Å; V105-K107 PolarHBondContact O-N 2.97Å; K107-K110 PolarHBondContact O-N 2.97Å; K107-N111 PolarHBondContact O-N 3.33Å
108L74.6Confident75.3Confident106 Ų106118.4 Ų118.456%0.55560%0.597SS**Hα-helixtrans-62.3-45.8175.6-73.2171.1000111.7G104 V105 K110 N111 V112G104-L108 PolarHBondContact O-N 3.25Å; V105-L108 PolarHBondContact O-N 3.07Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.86Å; L108-N111 PolarHBondContact O-N 2.9Å; L108-N111 VanDerWaalsContact O-N 3.1Å; L108-V112 WeakPolarHBondContact O-CG2 3.33Å; L108-V112 PolarHBondContact O-N 3.37Å
109A76Confident74.6Confident56 Ų56117.8 Ų117.846%0.46360%0.599SS.*Hα-helixtrans-60.2-40.5176.800000112V105 S106 V112 K113V105-A109 WeakPolarHBondContact O-CB 3.4Å; V105-A109 PolarHBondContact O-N 3.43Å; S106-A109 PolarHBondContact O-N 3.28Å; A109-V112 PolarHBondContact O-N 3.46Å; A109-K113 VanDerWaalsContact O-CB 3.26Å; A109-K113 WeakPolarHBondContact O-CB 3.39Å; A109-K113 PolarHBondContact O-N 3.36Å
110K75.6Confident73.9Confident142 Ų142116.1 Ų116.162%0.61761%0.609SS**Hα-helixtrans-62.8-41.8173.6-76.2-178.5-177.6-171.50112S106 K107 L108 K114S106-K110 WeakPolarHBondContact O-CG 3.5Å; S106-K110 PolarHBondContact O-N 3.33Å; K107-K110 PolarHBondContact O-N 2.97Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.86Å; K110-K114 WeakPolarHBondContact O-CG 3.41Å; K110-K114 PolarHBondContact O-N 2.95Å; K110-K114 VanDerWaalsContact O-N 3.16Å
111N74.6Confident73.2Confident91 Ų91119.7 Ų119.749%0.48762%0.62SS.*Hα-helixtrans-67.5-45.1177.3-71.9-9.8000111.6K107 L108 K113 K114 V115K107-N111 PolarHBondContact O-N 3.33Å; L108-N111 PolarHBondContact O-N 2.9Å; L108-N111 VanDerWaalsContact O-N 3.1Å; N111-K113 VanDerWaalsContact C-N 3.32Å; N111-K113 PolarHBondContact O-N 3.02Å; N111-K114 WeakPolarHBondContact O-CB 3.42Å; N111-K114 PolarHBondContact O-N 3.42Å; N111-V115 WeakPolarHBondContact O-CG2 3.31Å; N111-V115 PolarHBondContact O-N 3.13Å; N111-V115 VanDerWaalsContact O-N 3.1Å
112V72.7Confident72.6Confident65 Ų65120.5 Ų120.539%0.39463%0.627SS.*Hα-helixtrans-61.9-40.5176.5172.50000111L108 A109 K114 V115 L116L108-V112 WeakPolarHBondContact O-CG2 3.33Å; L108-V112 PolarHBondContact O-N 3.37Å; A109-V112 PolarHBondContact O-N 3.46Å; V112-K114 PolarHBondContact O-N 3.23Å; V112-V115 PolarHBondContact O-N 3.42Å; V112-V115 VanDerWaalsContact O-N 3.13Å; V112-L116 HydrophobicContact CG1-CD1 3.64Å; V112-L116 HydrophobicContact CG1-CG 4.23Å; V112-L116 PolarHBondContact O-N 3.29Å
113K70.8Confident72.2Confident166 Ų166120 Ų12072%0.72263%0.63SS**Hα-helixtrans-62.9-28.7174.6-173176.3-178.31780112.9A109 N111A109-K113 VanDerWaalsContact O-CB 3.26Å; A109-K113 WeakPolarHBondContact O-CB 3.39Å; A109-K113 PolarHBondContact O-N 3.36Å; N111-K113 VanDerWaalsContact C-N 3.32Å; N111-K113 PolarHBondContact O-N 3.02Å
114K70.9Confident71.9Confident177 Ų177118.2 Ų118.277%0.7763%0.627SS**Hα-helixtrans-74.2-35.6173.1-73.8-179176.1-172.20112.3K110 N111 V112K110-K114 WeakPolarHBondContact O-CG 3.41Å; K110-K114 PolarHBondContact O-N 2.95Å; K110-K114 VanDerWaalsContact O-N 3.16Å; N111-K114 WeakPolarHBondContact O-CB 3.42Å; N111-K114 PolarHBondContact O-N 3.42Å; V112-K114 PolarHBondContact O-N 3.23Å
115V70.5Confident71.7Confident124 Ų124122.9 Ų122.975%0.75264%0.643SS**Hα-helixtrans-81.2-31.9-177.2178.30000112N111 V112N111-V115 WeakPolarHBondContact O-CG2 3.31Å; N111-V115 PolarHBondContact O-N 3.13Å; N111-V115 VanDerWaalsContact O-N 3.1Å; V112-V115 PolarHBondContact O-N 3.42Å; V112-V115 VanDerWaalsContact O-N 3.13Å
116L64.3Low71.6Confident107 Ų107128.2 Ų128.256%0.5666%0.655SS**SBendtrans-65.9124.4176.8-81.8161.1000110.2V112 K118V112-L116 HydrophobicContact CG1-CD1 3.64Å; V112-L116 HydrophobicContact CG1-CG 4.23Å; V112-L116 PolarHBondContact O-N 3.29Å; L116-K118 PolarHBondContact O-N 3.38Å
117P62.8Low71.4Confident106 Ų106131.2 Ų131.269%0.68867%0.671SS**  trans-60.7125.1174.624.2-31.2000108.9K119P117-K119 PolarHBondContact O-N 3.46Å
118K66.9Low71.1Confident201 Ų201134.2 Ų134.287%0.87468%0.678SS**SBendtrans-64.6-21.2178.3-69.6-179-179.4175.80112.8L116L116-K118 PolarHBondContact O-N 3.38Å
119K68.2Low70.9Confident175 Ų175140.3 Ų140.376%0.76169%0.694SS**SBendtrans-85.3126.6-176.8-65.8-173.2178.3-177.10109P117 I121P117-K119 PolarHBondContact O-N 3.46Å; K119-I121 PolarHBondContact O-N 2.95Å
120P66.6Low71Confident120 Ų120149.4 Ų149.478%0.77972%0.724SS**PPolyproline II helixtrans-58.7139.8168.925.4-31.6000108.9
121I66.7Low70.7Confident151 Ų151149.8 Ų149.877%0.77473%0.729SS**PPolyproline II helixtrans-58.9125.1172.9-61.1165.9000106.4K119 I123K119-I121 PolarHBondContact O-N 2.95Å; I121-I123 PolarHBondContact O-N 2.9Å
122P67.8Low70.5Confident107 Ų107152.9 Ų152.970%0.69574%0.742SS**PPolyproline II helixtrans-61.6116.1178.923.6-31.1000108.6I124P122-I124 PolarHBondContact O-N 3.18Å; P122-I124 VanDerWaalsContact O-N 3.11Å
123I73.1Confident70.4Confident142 Ų142157.8 Ų157.873%0.72876%0.761SS**  trans-73.2103.3170.5-58.4172.1000105.3I121 N125I121-I123 PolarHBondContact O-N 2.9Å; I123-N125 WeakPolarHBondContact CG2-OD1 3.15Å; I123-N125 PolarHBondContact O-N 2.99Å
124I75.4Confident70.4Confident115 Ų115157.3 Ų157.359%0.5976%0.764SS**  trans-70.8101.7175.1-59.9172.9000106.6P122 Y126P122-I124 PolarHBondContact O-N 3.18Å; P122-I124 VanDerWaalsContact O-N 3.11Å; I124-Y126 HydrophobicContact CB-CE2 4.5Å; I124-Y126 HydrophobicContact CG2-CD2 4.49Å; I124-Y126 HydrophobicContact CG2-CE1 4.1Å; I124-Y126 HydrophobicContact CG2-CE2 4.07Å; I124-Y126 PolarHBondContact O-N 3.36Å
125N74.6Confident70.4Confident131 Ų131156.1 Ų156.170%0.70176%0.763SS**  trans-80.3110.1173.3-70.7-27.4000108.5I123 T127I123-N125 WeakPolarHBondContact CG2-OD1 3.15Å; I123-N125 PolarHBondContact O-N 2.99Å; N125-T127 PolarHBondContact O-N 3.47Å
126Y75.4Confident70.4Confident203 Ų203158.2 Ų158.280%0.79676%0.764SS**  trans-77.7107.9169.5-61.9-82.9000108.7I124I124-Y126 HydrophobicContact CB-CE2 4.5Å; I124-Y126 HydrophobicContact CG2-CD2 4.49Å; I124-Y126 HydrophobicContact CG2-CE1 4.1Å; I124-Y126 HydrophobicContact CG2-CE2 4.07Å; I124-Y126 PolarHBondContact O-N 3.36Å
127T73.5Confident70.8Confident121 Ų121161.9 Ų161.974%0.74278%0.778SS**  trans-87113.1164.942.20000108.5N125 R129N125-T127 PolarHBondContact O-N 3.47Å; T127-R129 PolarHBondContact O-N 2.77Å
128R72.3Confident71.4Confident212 Ų212166.2 Ų166.280%0.879%0.785SS**  trans-67.9115.3172.9-162.8-179.2-164.8-168.63.6107.7
129R70.1Confident71.8Confident235 Ų235163.3 Ų163.389%0.88778%0.778SS**  trans-85126.4168.3-71.4-174.1176.8-179.2-1.7108.1T127T127-R129 PolarHBondContact O-N 2.77Å
130F77.7Confident72.1Confident247 Ų247162.2 Ų162.2100%1.08378%0.78SS**  trans-850167.2-69.3-84.8000109.2

Retrieved 130 of 130 residues in 28.6 ms (Link to these results)