X5D9E5_HUMAN Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession X5D9E5, Species HUMAN (Homo sapiens, Human), Gene OTUD7A, Length 122 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
1M44.4Very low45.1Very low244 Ų244127.8 Ų127.8100%1.20277%0.765SS**  0110.10-74.4166.7171.400107.3S3M1-S3 PolarHBondContact O-N 2.92Å
2V39.3Very low45Very low128 Ų128123.8 Ų123.878%0.77676%0.755SS**  trans-67.2111.8179.953.30000108.8S4V2-S4 VanDerWaalsContact CG2-OG 3.3Å; V2-S4 WeakPolarHBondContact CG2-OG 3.44Å
3S38Very low44.9Very low120 Ų120125.5 Ų125.584%0.83975%0.75SS**  trans-98.586.8159.9-840000106.6M1 V5M1-S3 PolarHBondContact O-N 2.92Å; S3-V5 PolarHBondContact O-N 3.05Å
4S43.8Very low44.5Very low101 Ų101121.4 Ų121.471%0.70673%0.729SS**  trans-65.786163-64.30000107.3V2 L6V2-S4 VanDerWaalsContact CG2-OG 3.3Å; V2-S4 WeakPolarHBondContact CG2-OG 3.44Å; S4-L6 PolarHBondContact O-N 3.13Å
5V52.3Low43.8Very low137 Ų137125.7 Ų125.783%0.8373%0.728SS**  trans-62.2125.716779.80000106.7S3S3-V5 PolarHBondContact O-N 3.05Å
6L52.1Low44Very low147 Ų147123.3 Ų123.377%0.7773%0.727SS**  trans-50.2150.6-169.8-76.191.4000113S4 N8S4-L6 PolarHBondContact O-N 3.13Å; L6-N8 PolarHBondContact O-N 3.28Å; L6-N8 VanDerWaalsContact O-N 3.09Å
7P46.9Very low44Very low118 Ų118121 Ų12177%0.76673%0.725SS**  trans-59.4115.9157.727.3-31.2000108.1P9P7-P9 WeakPolarHBondContact O-CD 3.49Å
8N46.1Very low44Very low134 Ų134121.4 Ų121.472%0.71772%0.722SS**  trans-62.7115.4164.4176.3-100.2000107.5L6 T10L6-N8 PolarHBondContact O-N 3.28Å; L6-N8 VanDerWaalsContact O-N 3.09Å; N8-T10 PolarHBondContact O-N 2.8Å
9P44Very low44.3Very low87 Ų87122.8 Ų122.857%0.56573%0.725SS**  trans-67.5119.4163.528.6-30.3000107P7 S11P7-P9 WeakPolarHBondContact O-CD 3.49Å; P9-S11 PolarHBondContact O-N 2.68Å
10T46.2Very low44.5Very low103 Ų103123.4 Ų123.463%0.63272%0.72SS**  trans-25.9126.5170-58.50000112.9N8 A12 E13N8-T10 PolarHBondContact O-N 2.8Å; T10-A12 HydrophobicContact CG2-CB 4.22Å; T10-A12 PolarHBondContact O-N 3.13Å; T10-E13 PolarHBondContact O-N 3.44Å
11S42.9Very low44.4Very low87 Ų87122.4 Ų122.461%0.60871%0.712SS**THydrogen-bonded Turntrans-48.48175.4-170.60000117.5P9P9-S11 PolarHBondContact O-N 2.68Å
12A44.3Very low44.8Very low79 Ų79116 Ų11665%0.65369%0.688SS**THydrogen-bonded Turntrans-90.5-20176.500000113.7T10T10-A12 HydrophobicContact CG2-CB 4.22Å; T10-A12 PolarHBondContact O-N 3.13Å
13E43.8Very low45.3Very low147 Ų147117.9 Ų117.969%0.68769%0.691SS**SBendtrans-101.8-16.8-179-57.1-166.310600113.1T10 W15 A16T10-E13 PolarHBondContact O-N 3.44Å; E13-W15 VanDerWaalsContact C-N 3.32Å; E13-W15 PolarHBondContact O-N 3.22Å; E13-A16 WeakPolarHBondContact O-CB 3.17Å; E13-A16 PolarHBondContact O-N 3.19Å; E13-A16 VanDerWaalsContact O-N 3.11Å
14C39.5Very low45.9Very low68 Ų68117.3 Ų117.346%0.45968%0.682SS.*THydrogen-bonded Turntrans-67.5-22.6-179-83.90000115L18C14-L18 WeakPolarHBondContact O-CD1 3.16Å
15W33.5Very low46.6Very low186 Ų186116.5 Ų116.571%0.70567%0.67SS**THydrogen-bonded Turntrans-83.3-18.3173.7-64.7105.8000112.9E13 A17E13-W15 VanDerWaalsContact C-N 3.32Å; E13-W15 PolarHBondContact O-N 3.22Å; W15-A17 VanDerWaalsContact C-N 3.26Å; W15-A17 PolarHBondContact O-N 2.72Å
16A46.8Very low47.8Very low87 Ų87114.6 Ų114.672%0.71966%0.655SS**THydrogen-bonded Turntrans-74.5-19.9177.700000112.3E13E13-A16 WeakPolarHBondContact O-CB 3.17Å; E13-A16 PolarHBondContact O-N 3.19Å; E13-A16 VanDerWaalsContact O-N 3.11Å
17A43.6Very low49.2Very low84 Ų84112.5 Ų112.569%0.69464%0.642SS**SBendtrans-106.2-7.3-178.200000114.8W15W15-A17 VanDerWaalsContact C-N 3.26Å; W15-A17 PolarHBondContact O-N 2.72Å
18L45.3Very low50.9Low129 Ų129111.9 Ų111.968%0.67563%0.633SS**SBendtrans-98.7-1.9-176.8-85167000114.7C14C14-L18 WeakPolarHBondContact O-CD1 3.16Å
19L49.7Very low52.6Low147 Ų147107.3 Ų107.377%0.7761%0.613SS**SBendtrans-122.4-3-174.8-86.3171.3000115.8
20H47.4Very low54.6Low134 Ų134103.7 Ų103.762%0.6259%0.59SS**  trans-117.485.1171-131.178.3000106.8P22H20-P22 WeakPolarHBondContact O-CD 3.15Å
21D41.9Very low56.6Low103 Ų103100.4 Ų100.455%0.55157%0.568SS**  trans-64.8112.8160.6-177-86.4000106.6M23D21-M23 PolarHBondContact O-N 3.2Å; D21-M23 WeakPolarHBondContact OD1-CA 3.3Å; D21-M23 WeakPolarHBondContact OD1-CB 3.5Å; D21-M23 PolarHBondContact OD1-N 3.31Å
22P54.3Low58.7Low109 Ų10999.1 Ų99.171%0.70856%0.559SS**THydrogen-bonded Turntrans-75.12.5-178.331.6-34.2000112.8H20H20-P22 WeakPolarHBondContact O-CD 3.15Å
23M48.9Very low60.8Low169 Ų16998 Ų9883%0.83354%0.542SS*.THydrogen-bonded Turntrans-92.4-14.6-170.2-152.7172.9-179.400113.3D21D21-M23 PolarHBondContact O-N 3.2Å; D21-M23 WeakPolarHBondContact OD1-CA 3.3Å; D21-M23 WeakPolarHBondContact OD1-CB 3.5Å; D21-M23 PolarHBondContact OD1-N 3.31Å
24T49.9Very low62.9Low108 Ų10891 Ų9166%0.66351%0.509SS*.SBendtrans-112.681.4162.664.80000108.5D26T24-D26 VanDerWaalsContact C-N 3.25Å; T24-D26 PolarHBondContact O-N 3.4Å
25L60.3Low65.3Low84 Ų8489.8 Ų89.844%0.4450%0.5SS..  trans-6191.5177.1-167.5142.9000108.6M27 V30 W54L25-M27 PolarHBondContact O-N 3.25Å; L25-V30 HydrophobicContact CD2-CG2 4.08Å; L25-V30 HydrophobicContact CG-CG1 4.4Å; L25-W54 HydrophobicContact CD1-CB 3.92Å; L25-W54 HydrophobicContact CD2-CB 3.39Å; L25-W54 HydrophobicContact CD2-CD2 4.16Å; L25-W54 HydrophobicContact CD2-CE3 4.35Å; L25-W54 HydrophobicContact CD2-CG 3.78Å; L25-W54 HydrophobicContact CG-CB 4.29Å
26D77.1Confident67.6Low97 Ų9789.8 Ų89.852%0.51950%0.5SS..  trans-74.6101.6-179.1-153.9-72.9000106.1T24 D28 A29 V30T24-D26 VanDerWaalsContact C-N 3.25Å; T24-D26 PolarHBondContact O-N 3.4Å; D26-D28 PolarHBondContact O-N 2.99Å; D26-D28 VanDerWaalsContact O-N 3.07Å; D26-A29 HydrophobicContact CB-CB 3.84Å; D26-A29 WeakPolarHBondContact O-CA 3.37Å; D26-A29 WeakPolarHBondContact O-CB 3.38Å; D26-A29 PolarHBondContact O-N 2.93Å; D26-V30 PolarHBondContact O-N 3.39Å
27M80.9Confident69.2Low102 Ų10289 Ų8950%0.50249%0.489SS..Hα-helixtrans-50.2-34.7-176.7-66.5164.18000110.9L25 V30 L31 W54L25-M27 PolarHBondContact O-N 3.25Å; M27-V30 WeakPolarHBondContact O-CG2 3.5Å; M27-L31 WeakPolarHBondContact O-CB 3.32Å; M27-L31 PolarHBondContact O-N 2.96Å; M27-W54 HydrophobicContact CB-CE3 4.23Å; M27-W54 HydrophobicContact CB-CH2 3.77Å; M27-W54 HydrophobicContact CB-CZ2 4.39Å; M27-W54 HydrophobicContact CB-CZ3 3.68Å; M27-W54 HydrophobicContact CE-CH2 3.53Å; M27-W54 HydrophobicContact CE-CZ2 3.15Å; M27-W54 HydrophobicContact CG-CD2 4.31Å; M27-W54 HydrophobicContact CG-CE3 4.25Å; M27-W54 HydrophobicContact CG-CH2 3.95Å; M27-W54 HydrophobicContact CG-CZ2 4.06Å; M27-W54 HydrophobicContact CG-CZ3 4.05Å; M27-W54 HydrophobicContact SD-CZ2 4.41Å
28D82Confident71Confident106 Ų10686.1 Ų86.157%0.56746%0.463SS*.Hα-helixtrans-72.6-36.2177.7-165.3-100.1000112.4D26 S32D26-D28 PolarHBondContact O-N 2.99Å; D26-D28 VanDerWaalsContact O-N 3.07Å; D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.26Å; D28-S32 PolarHBondContact O-OG 2.96Å
29A82.5Confident72.9Confident37 Ų3783.1 Ų83.131%0.30646%0.463SS..Hα-helixtrans-68.7-45.8176.300000112.4D26 S32 D33D26-A29 HydrophobicContact CB-CB 3.84Å; D26-A29 WeakPolarHBondContact O-CA 3.37Å; D26-A29 WeakPolarHBondContact O-CB 3.38Å; D26-A29 PolarHBondContact O-N 2.93Å; A29-S32 PolarHBondContact O-N 3.29Å; A29-D33 WeakPolarHBondContact O-CB 3.41Å; A29-D33 PolarHBondContact O-N 3.46Å
30V85.3Confident74.5Confident12 Ų1276.6 Ų76.67%0.07343%0.43CS..Hα-helixtrans-69.4-35.8177.4-65.80000111.8L25 D26 M27 F34 L49 W54L25-V30 HydrophobicContact CD2-CG2 4.08Å; L25-V30 HydrophobicContact CG-CG1 4.4Å; D26-V30 PolarHBondContact O-N 3.39Å; M27-V30 WeakPolarHBondContact O-CG2 3.5Å; V30-F34 WeakPolarHBondContact O-CB 3.01Å; V30-F34 PolarHBondContact O-N 3.43Å; V30-L49 HydrophobicContact CG2-CD1 4.41Å; V30-W54 HydrophobicContact CG2-CE3 3.47Å; V30-W54 VanDerWaalsContact CG2-CE3 3.47Å; V30-W54 HydrophobicContact CG2-CZ3 3.99Å
31L89.1Confident76.3Confident33 Ų3377.2 Ų77.217%0.17343%0.433CS..Hα-helixtrans-65.4-46.8173.5-176.566.4000111.2M27 F34 V35 A45 R46 L49M27-L31 WeakPolarHBondContact O-CB 3.32Å; M27-L31 PolarHBondContact O-N 2.96Å; L31-F34 PolarHBondContact O-N 2.77Å; L31-V35 WeakPolarHBondContact O-CB 3.34Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.47Å; L31-V35 PolarHBondContact O-N 2.97Å; L31-A45 HydrophobicContact CD1-CB 3.52Å; L31-R46 HydrophobicContact CD1-CB 3.94Å; L31-L49 HydrophobicContact CB-CD1 4.25Å; L31-L49 HydrophobicContact CD1-CD1 4.02Å
32S86.5Confident78.3Confident60 Ų6075.6 Ų75.642%0.4243%0.428SS..Hα-helixtrans-62.3-42.4177.3-730000111.8D28 A29 V35 R36D28-S32 WeakPolarHBondContact O-CB 3.45Å; D28-S32 PolarHBondContact O-N 3.26Å; D28-S32 PolarHBondContact O-OG 2.96Å; A29-S32 PolarHBondContact O-N 3.29Å; S32-V35 PolarHBondContact O-N 3.41Å; S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.5Å
33D88.6Confident80Confident55 Ų5573 Ų7329%0.29442%0.421SS..Hα-helixtrans-68.3-40.1178-159.2-90.3000111.6A29 R36 S37 L56A29-D33 WeakPolarHBondContact O-CB 3.41Å; A29-D33 PolarHBondContact O-N 3.46Å; D33-R36 PolarHBondContact O-N 2.86Å; D33-S37 WeakPolarHBondContact O-CB 3.02Å; D33-S37 PolarHBondContact O-N 3.4Å; D33-S37 PolarHBondContact O-OG 2.84Å; D33-S37 PolarHBondContact OD1-OG 3.41Å; D33-L56 HydrophobicContact CB-CD2 4.09Å
34F88.4Confident81.8Confident0 Ų069.2 Ų69.20%040%0.404CS..Hα-helixtrans-59.4-51.9173.5-173.8-83.4000111.4V30 L31 R36 S37 T38 A40 A45 L48 L49 L56 A59 L60 Y63V30-F34 WeakPolarHBondContact O-CB 3.01Å; V30-F34 PolarHBondContact O-N 3.43Å; L31-F34 PolarHBondContact O-N 2.77Å; F34-R36 VanDerWaalsContact C-N 3.32Å; F34-R36 PolarHBondContact O-N 2.67Å; F34-S37 PolarHBondContact O-N 2.76Å; F34-T38 HydrophobicContact CD1-CG2 4.28Å; F34-T38 HydrophobicContact CD2-CG2 4.32Å; F34-T38 HydrophobicContact CE1-CG2 4.11Å; F34-T38 HydrophobicContact CE2-CG2 4.1Å; F34-T38 HydrophobicContact CG-CG2 4.42Å; F34-T38 HydrophobicContact CZ-CG2 4.02Å; F34-T38 VanDerWaalsContact O-CB 3.29Å; F34-T38 WeakPolarHBondContact O-CB 3.49Å; F34-T38 WeakPolarHBondContact O-CG2 2.89Å; F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 2.9Å; F34-A40 HydrophobicContact CD1-CB 4.49Å; F34-A40 HydrophobicContact CE1-CB 3.85Å; F34-A45 HydrophobicContact CD1-CB 3.2Å; F34-A45 HydrophobicContact CE1-CB 3.59Å; F34-A45 HydrophobicContact CG-CB 4.12Å; F34-L48 HydrophobicContact CE1-CD1 4.38Å; F34-L48 HydrophobicContact CZ-CD1 3.69Å; F34-L49 HydrophobicContact CB-CD1 4.05Å; F34-L49 HydrophobicContact CG-CD1 4.45Å; F34-L56 HydrophobicContact CB-CD1 3.8Å; F34-L56 HydrophobicContact CD2-CD1 4.21Å; F34-A59 HydrophobicContact CD2-CB 3.86Å; F34-A59 HydrophobicContact CE2-CB 3.64Å; F34-L60 HydrophobicContact CD2-CD2 4.39Å; F34-L60 HydrophobicContact CD2-CG 4.38Å; F34-Y63 HydrophobicContact CZ-CD2 4.34Å; F34-Y63 HydrophobicContact CZ-CG 4.13Å
35V88.9Confident83.7Confident44 Ų4464 Ų6427%0.26737%0.372SS..Hα-helixtrans-62-39.4178.7171.40000111.1L31 S32 G39 A40 P42 A45L31-V35 WeakPolarHBondContact O-CB 3.34Å; L31-V35 VanDerWaalsContact O-CG2 3.3Å; L31-V35 WeakPolarHBondContact O-CG2 3.47Å; L31-V35 PolarHBondContact O-N 2.97Å; S32-V35 PolarHBondContact O-N 3.41Å; V35-G39 WeakPolarHBondContact O-CA 3.08Å; V35-G39 PolarHBondContact O-N 3.25Å; V35-A40 WeakPolarHBondContact CG1-O 3.43Å; V35-P42 HydrophobicContact CG2-CB 4.19Å; V35-A45 HydrophobicContact CG2-CB 3.7Å
36R81.9Confident85.1Confident185 Ų18566.8 Ų66.870%0.69838%0.377SS*.Hα-helixtrans-73.3-31.8179.4-177.2172.5171.5-95.30.6113.5S32 D33 F34S32-R36 WeakPolarHBondContact O-CB 3.21Å; S32-R36 PolarHBondContact O-N 3.5Å; D33-R36 PolarHBondContact O-N 2.86Å; F34-R36 VanDerWaalsContact C-N 3.32Å; F34-R36 PolarHBondContact O-N 2.67Å
37S80.8Confident85.8Confident70 Ų7067.6 Ų67.649%0.4938%0.381SS..Hα-helixtrans-81.4-35.9178.2-78.20000112.2D33 F34D33-S37 WeakPolarHBondContact O-CB 3.02Å; D33-S37 PolarHBondContact O-N 3.4Å; D33-S37 PolarHBondContact O-OG 2.84Å; D33-S37 PolarHBondContact OD1-OG 3.41Å; F34-S37 PolarHBondContact O-N 2.76Å
38T81.6Confident86.2Confident25 Ų2563.8 Ų63.815%0.15336%0.363CS..Hα-helixtrans-104.9-24.4-173.365.20000114.9F34 A40 L60 Y63F34-T38 HydrophobicContact CD1-CG2 4.28Å; F34-T38 HydrophobicContact CD2-CG2 4.32Å; F34-T38 HydrophobicContact CE1-CG2 4.11Å; F34-T38 HydrophobicContact CE2-CG2 4.1Å; F34-T38 HydrophobicContact CG-CG2 4.42Å; F34-T38 HydrophobicContact CZ-CG2 4.02Å; F34-T38 VanDerWaalsContact O-CB 3.29Å; F34-T38 WeakPolarHBondContact O-CB 3.49Å; F34-T38 WeakPolarHBondContact O-CG2 2.89Å; F34-T38 PolarHBondContact O-N 3.48Å; F34-T38 PolarHBondContact O-OG1 2.9Å; T38-A40 PolarHBondContact O-N 3.5Å; T38-A40 WeakPolarHBondContact OG1-CB 3.34Å; T38-A40 PolarHBondContact OG1-N 2.84Å; T38-A40 VanDerWaalsContact OG1-N 3.13Å; T38-L60 HydrophobicContact CG2-CD2 3.43Å; T38-L60 VanDerWaalsContact CG2-CD2 3.43Å; T38-Y63 HydrophobicContact CG2-CD1 3.51Å; T38-Y63 HydrophobicContact CG2-CE1 3.77Å; T38-Y63 HydrophobicContact CG2-CG 4.16Å; T38-Y63 PolarHBondContact O-OH 2.86Å
39G84.7Confident86.5Confident66 Ų6658.8 Ų58.868%0.6834%0.336SS*.  trans7012.4-169.200000114.4V35V35-G39 WeakPolarHBondContact O-CA 3.08Å; V35-G39 PolarHBondContact O-N 3.25Å
40A82.8Confident86.8Confident9 Ų962.4 Ų62.47%0.07435%0.347CS..  trans-73.5156.4-179.200000112.3F34 V35 T38 L44 Y63F34-A40 HydrophobicContact CD1-CB 4.49Å; F34-A40 HydrophobicContact CE1-CB 3.85Å; V35-A40 WeakPolarHBondContact CG1-O 3.43Å; T38-A40 PolarHBondContact O-N 3.5Å; T38-A40 WeakPolarHBondContact OG1-CB 3.34Å; T38-A40 PolarHBondContact OG1-N 2.84Å; T38-A40 VanDerWaalsContact OG1-N 3.13Å; A40-L44 HydrophobicContact CB-CD2 4.19Å; A40-Y63 HydrophobicContact CB-CD2 4.44Å; A40-Y63 HydrophobicContact CB-CE2 3.77Å
41E87.3Confident86.9Confident148 Ų14864.7 Ų64.769%0.69237%0.373SS*.  trans-58.6137.8174.3-83-82.49300111.3G43 L44 A45E41-G43 PolarHBondContact O-N 3.32Å; E41-G43 VanDerWaalsContact O-N 3.13Å; E41-L44 PolarHBondContact O-N 3.4Å; E41-A45 WeakPolarHBondContact O-CB 3.12Å; E41-A45 PolarHBondContact O-N 2.81Å
42P83.9Confident86.8Confident68 Ų6866.7 Ų66.744%0.44238%0.38SS..Hα-helixtrans-61.1-25.3-178.223.9-33.4000113.3V35 R46V35-P42 HydrophobicContact CG2-CB 4.19Å; P42-R46 WeakPolarHBondContact O-CB 3.29Å; P42-R46 PolarHBondContact O-N 2.96Å
43G89.2Confident86.9Confident55 Ų5570.6 Ų70.657%0.56740%0.396SS*.Hα-helixtrans-69-42.3173.600000113.4E41 D47E41-G43 PolarHBondContact O-N 3.32Å; E41-G43 VanDerWaalsContact O-N 3.13Å; G43-D47 PolarHBondContact O-N 2.76Å
44L87.1Confident86.8Confident89 Ų8970 Ų7047%0.46639%0.39SS..Hα-helixtrans-75.6-38.4179.3-179.5144.7000111.5A40 E41 R46 D47 L48 Y63A40-L44 HydrophobicContact CB-CD2 4.19Å; E41-L44 PolarHBondContact O-N 3.4Å; L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 2.87Å; L44-D47 PolarHBondContact O-N 3.34Å; L44-L48 HydrophobicContact CD2-CD1 3.53Å; L44-L48 HydrophobicContact CD2-CG 4.24Å; L44-L48 HydrophobicContact CG-CD1 4.43Å; L44-L48 PolarHBondContact O-N 2.85Å; L44-Y63 HydrophobicContact CD2-CD2 4.41Å
45A89.7Confident86.7Confident0 Ų073.7 Ų73.70%041%0.41CS..Hα-helixtrans-56.2-43.7173.100000111.7L31 F34 V35 E41 L49L31-A45 HydrophobicContact CD1-CB 3.52Å; F34-A45 HydrophobicContact CD1-CB 3.2Å; F34-A45 HydrophobicContact CE1-CB 3.59Å; F34-A45 HydrophobicContact CG-CB 4.12Å; V35-A45 HydrophobicContact CG2-CB 3.7Å; E41-A45 WeakPolarHBondContact O-CB 3.12Å; E41-A45 PolarHBondContact O-N 2.81Å; A45-L49 VanDerWaalsContact O-CB 3.32Å; A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 WeakPolarHBondContact O-CD1 3.26Å; A45-L49 VanDerWaalsContact O-CG 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.44Å; A45-L49 PolarHBondContact O-N 3.36Å
46R89.9Confident86.4Confident141 Ų14173.6 Ų73.653%0.53241%0.407SS..Hα-helixtrans-63.7-45.5176.7179.7178.8170.7179.9-1.6112.2L31 P42 L44 L49 E50 W54L31-R46 HydrophobicContact CD1-CB 3.94Å; P42-R46 WeakPolarHBondContact O-CB 3.29Å; P42-R46 PolarHBondContact O-N 2.96Å; L44-R46 VanDerWaalsContact C-N 3.27Å; L44-R46 PolarHBondContact O-N 2.87Å; R46-L49 PolarHBondContact O-N 3.45Å; R46-E50 WeakPolarHBondContact O-CB 3.18Å; R46-E50 PolarHBondContact O-N 2.92Å; R46-W54 HydrophobicContact CG-CH2 4.36Å
47D90.1Very high86.6Confident114 Ų11470 Ų7061%0.6141%0.406SS*.Hα-helixtrans-60.7-45178.8-175.3-97.6000111.8G43 L44 E50 G51G43-D47 PolarHBondContact O-N 2.76Å; L44-D47 PolarHBondContact O-N 3.34Å; D47-E50 PolarHBondContact O-N 2.62Å; D47-G51 PolarHBondContact O-N 2.87Å
48L90.2Very high86.9Confident23 Ų2368.3 Ų68.312%0.1240%0.396CS..Hα-helixtrans-65.8-44.6176.4-74.2175.8000112.6F34 L44 G51 K52 A59 Y63F34-L48 HydrophobicContact CE1-CD1 4.38Å; F34-L48 HydrophobicContact CZ-CD1 3.69Å; L44-L48 HydrophobicContact CD2-CD1 3.53Å; L44-L48 HydrophobicContact CD2-CG 4.24Å; L44-L48 HydrophobicContact CG-CD1 4.43Å; L44-L48 PolarHBondContact O-N 2.85Å; L48-G51 PolarHBondContact O-N 3.29Å; L48-K52 WeakPolarHBondContact O-CB 3.35Å; L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 3.07Å; L48-A59 HydrophobicContact CB-CB 4.5Å; L48-Y63 HydrophobicContact CD1-CD2 4.45Å
49L89.3Confident87.3Confident0 Ų067.1 Ų67.10%039%0.389CS..Hα-helixtrans-63.1-46.4177-76.4164.9000110.5V30 L31 F34 A45 R46 G51 K52 N53 W54 A59V30-L49 HydrophobicContact CG2-CD1 4.41Å; L31-L49 HydrophobicContact CB-CD1 4.25Å; L31-L49 HydrophobicContact CD1-CD1 4.02Å; F34-L49 HydrophobicContact CB-CD1 4.05Å; F34-L49 HydrophobicContact CG-CD1 4.45Å; A45-L49 VanDerWaalsContact O-CB 3.32Å; A45-L49 WeakPolarHBondContact O-CB 3.36Å; A45-L49 WeakPolarHBondContact O-CD1 3.26Å; A45-L49 VanDerWaalsContact O-CG 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.44Å; A45-L49 PolarHBondContact O-N 3.36Å; R46-L49 PolarHBondContact O-N 3.45Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.04Å; L49-K52 CarbonylContact O-C 3.42Å; L49-K52 PolarHBondContact O-N 2.92Å; L49-N53 PolarHBondContact O-N 3.43Å; L49-W54 HydrophobicContact CB-CD2 4.34Å; L49-W54 HydrophobicContact CB-CE3 3.86Å; L49-W54 HydrophobicContact CB-CZ3 4.24Å; L49-W54 HydrophobicContact CD1-CE3 4.32Å; L49-W54 HydrophobicContact CD1-CZ3 4.34Å; L49-W54 VanDerWaalsContact O-CA 3.27Å; L49-W54 WeakPolarHBondContact O-CA 3.06Å; L49-W54 PolarHBondContact O-N 3.07Å; L49-A59 HydrophobicContact CD2-CB 3.77Å; L49-A59 HydrophobicContact CG-CB 4.2Å
50E88.6Confident87.5Confident113 Ų11366.3 Ų66.353%0.52837%0.369SS..Hα-helixtrans-59.5-42.4176.8-168.7172.5103.600111.4R46 D47 K52 N53R46-E50 WeakPolarHBondContact O-CB 3.18Å; R46-E50 PolarHBondContact O-N 2.92Å; D47-E50 PolarHBondContact O-N 2.62Å; E50-K52 PolarHBondContact O-N 3.49Å; E50-N53 PolarHBondContact O-N 2.91Å
51G86.1Confident87.7Confident60 Ų6069 Ų6962%0.61939%0.387SS*.Hα-helixtrans-68.5-12.9174.300000115.3D47 L48 L49D47-G51 PolarHBondContact O-N 2.87Å; L48-G51 PolarHBondContact O-N 3.29Å; L49-G51 VanDerWaalsContact C-N 3.32Å; L49-G51 PolarHBondContact O-N 3.04Å
52K88.4Confident87.6Confident75 Ų7564.1 Ų64.133%0.32637%0.366SS..THydrogen-bonded Turntrans-114.119.9179-63.2-68125.2146.30112.9L48 L49 E50 W54 D55 A58 A59 D62L48-K52 WeakPolarHBondContact O-CB 3.35Å; L48-K52 WeakPolarHBondContact O-CG 3.32Å; L48-K52 PolarHBondContact O-N 3.07Å; L49-K52 CarbonylContact O-C 3.42Å; L49-K52 PolarHBondContact O-N 2.92Å; E50-K52 PolarHBondContact O-N 3.49Å; K52-W54 PolarHBondContact O-N 3.42Å; K52-D55 WeakPolarHBondContact O-CB 3.44Å; K52-D55 PolarHBondContact O-N 3.25Å; K52-A58 HydrophobicContact CB-CB 4.06Å; K52-A58 HydrophobicContact CD-CB 3.89Å; K52-A58 HydrophobicContact CG-CB 4.14Å; K52-A59 HydrophobicContact CB-CB 4.46Å; K52-A59 HydrophobicContact CG-CB 4.32Å; K52-D62 IonicContact NZ-OD2 2.79Å; K52-D62 PolarHBondContact NZ-OD2 2.78Å
53N87.9Confident87.8Confident142 Ų14263 Ų6376%0.75935%0.353SS*.THydrogen-bonded Turntrans57.136.9-176.4-170.580.5000112.4L49 E50 D55L49-N53 PolarHBondContact O-N 3.43Å; E50-N53 PolarHBondContact O-N 2.91Å; N53-D55 PolarHBondContact O-N 2.95Å; N53-D55 VanDerWaalsContact O-N 3.14Å
54W85.6Confident87.6Confident43 Ų4364.7 Ų64.716%0.16335%0.346CS..THydrogen-bonded Turntrans56.822.8-174.1-60.785.2000114.7L25 M27 V30 R46 L49 K52 L56L25-W54 HydrophobicContact CD1-CB 3.92Å; L25-W54 HydrophobicContact CD2-CB 3.39Å; L25-W54 HydrophobicContact CD2-CD2 4.16Å; L25-W54 HydrophobicContact CD2-CE3 4.35Å; L25-W54 HydrophobicContact CD2-CG 3.78Å; L25-W54 HydrophobicContact CG-CB 4.29Å; M27-W54 HydrophobicContact CB-CE3 4.23Å; M27-W54 HydrophobicContact CB-CH2 3.77Å; M27-W54 HydrophobicContact CB-CZ2 4.39Å; M27-W54 HydrophobicContact CB-CZ3 3.68Å; M27-W54 HydrophobicContact CE-CH2 3.53Å; M27-W54 HydrophobicContact CE-CZ2 3.15Å; M27-W54 HydrophobicContact CG-CD2 4.31Å; M27-W54 HydrophobicContact CG-CE3 4.25Å; M27-W54 HydrophobicContact CG-CH2 3.95Å; M27-W54 HydrophobicContact CG-CZ2 4.06Å; M27-W54 HydrophobicContact CG-CZ3 4.05Å; M27-W54 HydrophobicContact SD-CZ2 4.41Å; V30-W54 HydrophobicContact CG2-CE3 3.47Å; V30-W54 VanDerWaalsContact CG2-CE3 3.47Å; V30-W54 HydrophobicContact CG2-CZ3 3.99Å; R46-W54 HydrophobicContact CG-CH2 4.36Å; L49-W54 HydrophobicContact CB-CD2 4.34Å; L49-W54 HydrophobicContact CB-CE3 3.86Å; L49-W54 HydrophobicContact CB-CZ3 4.24Å; L49-W54 HydrophobicContact CD1-CE3 4.32Å; L49-W54 HydrophobicContact CD1-CZ3 4.34Å; L49-W54 VanDerWaalsContact O-CA 3.27Å; L49-W54 WeakPolarHBondContact O-CA 3.06Å; L49-W54 PolarHBondContact O-N 3.07Å; K52-W54 PolarHBondContact O-N 3.42Å; W54-L56 PolarHBondContact O-N 3.49Å
55D86.7Confident87.4Confident78 Ų7866.1 Ų66.142%0.41735%0.351SS..  trans-78.8102.7176-164.9-78.5000110K52 N53 T57 A58 A59K52-D55 WeakPolarHBondContact O-CB 3.44Å; K52-D55 PolarHBondContact O-N 3.25Å; N53-D55 PolarHBondContact O-N 2.95Å; N53-D55 VanDerWaalsContact O-N 3.14Å; D55-T57 PolarHBondContact O-N 3.25Å; D55-T57 WeakPolarHBondContact OD1-CB 3.1Å; D55-T57 PolarHBondContact OD1-N 3.39Å; D55-A58 HydrophobicContact CB-CB 3.95Å; D55-A58 PolarHBondContact O-N 3.28Å; D55-A58 WeakPolarHBondContact OD1-CB 3.22Å; D55-A58 PolarHBondContact OD1-N 3Å; D55-A59 WeakPolarHBondContact O-CB 3.22Å; D55-A59 PolarHBondContact O-N 3.05Å
56L83.7Confident86.9Confident42 Ų4270.1 Ų70.122%0.2237%0.371CS..Hα-helixtrans-56.9-37.6-178.9179.763.8000112D33 F34 W54 L60D33-L56 HydrophobicContact CB-CD2 4.09Å; F34-L56 HydrophobicContact CB-CD1 3.8Å; F34-L56 HydrophobicContact CD2-CD1 4.21Å; W54-L56 PolarHBondContact O-N 3.49Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.32Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 VanDerWaalsContact O-CB 3.31Å; L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 VanDerWaalsContact O-CG 3.23Å; L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 2.71Å
57T84.5Confident86.3Confident109 Ų10968.4 Ų68.467%0.66937%0.365SS*.Hα-helixtrans-67.3-46.9-179.5-52.20000110.9D55 L60 S61D55-T57 PolarHBondContact O-N 3.25Å; D55-T57 WeakPolarHBondContact OD1-CB 3.1Å; D55-T57 PolarHBondContact OD1-N 3.39Å; T57-L60 PolarHBondContact O-N 3.05Å; T57-S61 PolarHBondContact O-N 2.78Å; T57-S61 VanDerWaalsContact O-N 3.07Å
58A88.6Confident85.3Confident35 Ų3568.3 Ų68.329%0.28936%0.361SS..Hα-helixtrans-65.8-41.7177.800000112K52 D55 S61 D62K52-A58 HydrophobicContact CB-CB 4.06Å; K52-A58 HydrophobicContact CD-CB 3.89Å; K52-A58 HydrophobicContact CG-CB 4.14Å; D55-A58 HydrophobicContact CB-CB 3.95Å; D55-A58 PolarHBondContact O-N 3.28Å; D55-A58 WeakPolarHBondContact OD1-CB 3.22Å; D55-A58 PolarHBondContact OD1-N 3Å; A58-S61 PolarHBondContact O-N 3.1Å; A58-D62 PolarHBondContact O-N 2.91Å
59A90.1Very high84Confident0 Ų071.9 Ų71.90%038%0.383CS..Hα-helixtrans-63.1-45176.700000111.7F34 L48 L49 K52 D55 S61 D62 Y63F34-A59 HydrophobicContact CD2-CB 3.86Å; F34-A59 HydrophobicContact CE2-CB 3.64Å; L48-A59 HydrophobicContact CB-CB 4.5Å; L49-A59 HydrophobicContact CD2-CB 3.77Å; L49-A59 HydrophobicContact CG-CB 4.2Å; K52-A59 HydrophobicContact CB-CB 4.46Å; K52-A59 HydrophobicContact CG-CB 4.32Å; D55-A59 WeakPolarHBondContact O-CB 3.22Å; D55-A59 PolarHBondContact O-N 3.05Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.38Å; A59-D62 PolarHBondContact O-N 2.79Å; A59-Y63 PolarHBondContact O-N 3.28Å; A59-Y63 VanDerWaalsContact O-N 3.07Å
60L87.5Confident82.6Confident48 Ų4878.8 Ų78.825%0.25142%0.415SS..Hα-helixtrans-58.2-44.2176.2-80.9168.3000111.4F34 T38 L56 T57 D62 Y63 E64F34-L60 HydrophobicContact CD2-CD2 4.39Å; F34-L60 HydrophobicContact CD2-CG 4.38Å; T38-L60 HydrophobicContact CG2-CD2 3.43Å; T38-L60 VanDerWaalsContact CG2-CD2 3.43Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 HydrophobicContact CD1-CG 4.32Å; L56-L60 HydrophobicContact CG-CD1 4.02Å; L56-L60 VanDerWaalsContact O-CB 3.31Å; L56-L60 WeakPolarHBondContact O-CB 3.36Å; L56-L60 VanDerWaalsContact O-CG 3.23Å; L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 2.71Å; T57-L60 PolarHBondContact O-N 3.05Å; L60-D62 PolarHBondContact O-N 3.39Å; L60-Y63 PolarHBondContact O-N 3.19Å; L60-E64 WeakPolarHBondContact O-CB 3.27Å; L60-E64 WeakPolarHBondContact O-CG 3.45Å; L60-E64 PolarHBondContact O-N 3.26Å
61S87.3Confident80.8Confident65 Ų6577.1 Ų77.146%0.45541%0.413SS..Hα-helixtrans-61.8-42.9177.6-170.40000112.2T57 A58 A59 E64 Q65T57-S61 PolarHBondContact O-N 2.78Å; T57-S61 VanDerWaalsContact O-N 3.07Å; A58-S61 PolarHBondContact O-N 3.1Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3.38Å; S61-E64 PolarHBondContact O-N 3.02Å; S61-Q65 VanDerWaalsContact O-CB 3.22Å; S61-Q65 WeakPolarHBondContact O-CB 3.37Å; S61-Q65 PolarHBondContact O-N 2.74Å
62D86.2Confident79.1Confident47 Ų4778 Ų7825%0.25142%0.415SS..Hα-helixtrans-63.3-45179.9-142.7-79.2000110.9K52 A58 A59 L60 Q65 L66K52-D62 IonicContact NZ-OD2 2.79Å; K52-D62 PolarHBondContact NZ-OD2 2.78Å; A58-D62 PolarHBondContact O-N 2.91Å; A59-D62 PolarHBondContact O-N 2.79Å; L60-D62 PolarHBondContact O-N 3.39Å; D62-Q65 PolarHBondContact O-N 3.29Å; D62-L66 PolarHBondContact O-N 3.28Å
63Y86.3Confident77.3Confident45 Ų4581.4 Ų81.418%0.17644%0.437CS..Hα-helixtrans-65.7-43.4177.2-178.5-100.7000113.1F34 T38 A40 L44 L48 A59 L60 Q65 L66 R67F34-Y63 HydrophobicContact CZ-CD2 4.34Å; F34-Y63 HydrophobicContact CZ-CG 4.13Å; T38-Y63 HydrophobicContact CG2-CD1 3.51Å; T38-Y63 HydrophobicContact CG2-CE1 3.77Å; T38-Y63 HydrophobicContact CG2-CG 4.16Å; T38-Y63 PolarHBondContact O-OH 2.86Å; A40-Y63 HydrophobicContact CB-CD2 4.44Å; A40-Y63 HydrophobicContact CB-CE2 3.77Å; L44-Y63 HydrophobicContact CD2-CD2 4.41Å; L48-Y63 HydrophobicContact CD1-CD2 4.45Å; A59-Y63 PolarHBondContact O-N 3.28Å; A59-Y63 VanDerWaalsContact O-N 3.07Å; L60-Y63 PolarHBondContact O-N 3.19Å; Y63-Q65 VanDerWaalsContact C-N 3.29Å; Y63-Q65 PolarHBondContact O-N 3.06Å; Y63-L66 PolarHBondContact O-N 2.94Å; Y63-R67 HydrophobicContact CD1-CG 4.37Å; Y63-R67 HydrophobicContact CE1-CG 4.05Å; Y63-R67 HydrophobicContact CE2-CG 4.47Å; Y63-R67 VanDerWaalsContact CZ-CD 3.4Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.12Å; Y63-R67 PolarHBondContact O-N 3.47Å
64E85.1Confident75.5Confident90 Ų9080.6 Ų80.642%0.42143%0.431SS..Hα-helixtrans-60.4-41.6173.9-73.4-110.593.100110.9L60 S61 R67 Q68L60-E64 WeakPolarHBondContact O-CB 3.27Å; L60-E64 WeakPolarHBondContact O-CG 3.45Å; L60-E64 PolarHBondContact O-N 3.26Å; S61-E64 PolarHBondContact O-N 3.02Å; E64-R67 PolarHBondContact O-N 3.14Å; E64-R67 IonicContact OE1-NH1 3.29Å; E64-R67 PolarHBondContact OE1-NH1 3.03Å; E64-Q68 WeakPolarHBondContact O-CB 3.47Å; E64-Q68 WeakPolarHBondContact O-CG 3.41Å; E64-Q68 PolarHBondContact O-N 3.32Å
65Q83.8Confident73.7Confident119 Ų11983.8 Ų83.856%0.55646%0.458SS*.Hα-helixtrans-70.2-39.7-177.9-154.9161-94.100112.1S61 D62 Y63 Q68 V69S61-Q65 VanDerWaalsContact O-CB 3.22Å; S61-Q65 WeakPolarHBondContact O-CB 3.37Å; S61-Q65 PolarHBondContact O-N 2.74Å; D62-Q65 PolarHBondContact O-N 3.29Å; Y63-Q65 VanDerWaalsContact C-N 3.29Å; Y63-Q65 PolarHBondContact O-N 3.06Å; Q65-Q68 PolarHBondContact O-N 2.93Å; Q65-V69 WeakPolarHBondContact O-CB 3.44Å; Q65-V69 WeakPolarHBondContact O-CG2 3.23Å; Q65-V69 PolarHBondContact O-N 2.86Å
66L79.1Confident71.9Confident83 Ų8388.3 Ų88.344%0.43548%0.476SS..Hα-helixtrans-61.9-48.5170.7-82.9156000111.4D62 Y63 Q68 V69 H70D62-L66 PolarHBondContact O-N 3.28Å; Y63-L66 PolarHBondContact O-N 2.94Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 3.2Å; L66-V69 PolarHBondContact O-N 3.07Å; L66-H70 WeakPolarHBondContact O-CB 3.38Å; L66-H70 PolarHBondContact O-CD2 3.49Å; L66-H70 VanDerWaalsContact O-CD2 3.28Å; L66-H70 PolarHBondContact O-N 3.35Å
67R76.9Confident70.3Confident106 Ų10691.9 Ų91.940%0.450%0.499SS..Hα-helixtrans-60.2-42.2175.6-78.8-178.760.4-114.22.8111.8Y63 E64 T71Y63-R67 HydrophobicContact CD1-CG 4.37Å; Y63-R67 HydrophobicContact CE1-CG 4.05Å; Y63-R67 HydrophobicContact CE2-CG 4.47Å; Y63-R67 VanDerWaalsContact CZ-CD 3.4Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.12Å; Y63-R67 PolarHBondContact O-N 3.47Å; E64-R67 PolarHBondContact O-N 3.14Å; E64-R67 IonicContact OE1-NH1 3.29Å; E64-R67 PolarHBondContact OE1-NH1 3.03Å; R67-T71 WeakPolarHBondContact O-CA 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.43Å; R67-T71 PolarHBondContact O-N 3.17Å; R67-T71 PolarHBondContact O-OG1 3.4Å
68Q69.3Low68.2Low111 Ų11194.7 Ų94.752%0.51950%0.502SS..Hα-helixtrans-67-39.9178.1-75.7171.129.200111.4E64 Q65 L66 T71 A72E64-Q68 WeakPolarHBondContact O-CB 3.47Å; E64-Q68 WeakPolarHBondContact O-CG 3.41Å; E64-Q68 PolarHBondContact O-N 3.32Å; Q65-Q68 PolarHBondContact O-N 2.93Å; L66-Q68 VanDerWaalsContact C-N 3.3Å; L66-Q68 PolarHBondContact O-N 3.2Å; Q68-T71 PolarHBondContact O-N 3.33Å; Q68-A72 WeakPolarHBondContact O-CA 3.44Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.26Å
69V63.5Low66Low99 Ų99100 Ų10060%0.653%0.526SS*.Hα-helixtrans-67.8-41176.5161.50000111.9Q65 L66Q65-V69 WeakPolarHBondContact O-CB 3.44Å; Q65-V69 WeakPolarHBondContact O-CG2 3.23Å; Q65-V69 PolarHBondContact O-N 2.86Å; L66-V69 PolarHBondContact O-N 3.07Å
70H60.2Low64Low144 Ų144107 Ų10767%0.66756%0.559SS**Hα-helixtrans-73.1-30.2175.9-80.7-87.1000112.9L66L66-H70 WeakPolarHBondContact O-CB 3.38Å; L66-H70 PolarHBondContact O-CD2 3.49Å; L66-H70 VanDerWaalsContact O-CD2 3.28Å; L66-H70 PolarHBondContact O-N 3.35Å
71T51.1Low61.8Low78 Ų78107.6 Ų107.648%0.47958%0.576SS.*Hα-helixtrans-83-32.8175.7-620000112R67 Q68 N73 L74R67-T71 WeakPolarHBondContact O-CA 3.31Å; R67-T71 WeakPolarHBondContact O-CB 3.43Å; R67-T71 PolarHBondContact O-N 3.17Å; R67-T71 PolarHBondContact O-OG1 3.4Å; Q68-T71 PolarHBondContact O-N 3.33Å; T71-N73 PolarHBondContact O-N 2.93Å; T71-L74 CarbonylContact O-C 3.41Å; T71-L74 WeakPolarHBondContact O-CA 3.4Å; T71-L74 PolarHBondContact O-N 3.31Å
72A49.1Very low59.7Low80 Ų80116.5 Ų116.566%0.66160%0.6SS**THydrogen-bonded Turntrans-76.8-4.4-17900000113.4Q68Q68-A72 WeakPolarHBondContact O-CA 3.44Å; Q68-A72 WeakPolarHBondContact O-CB 3.44Å; Q68-A72 PolarHBondContact O-N 3.26Å
73N50Low57.1Low146 Ų146116.8 Ų116.878%0.78161%0.614SS**THydrogen-bonded Turntrans-76.6-15161.9-142.4-95.5000112.1T71T71-N73 PolarHBondContact O-N 2.93Å
74L50.8Low54.9Low124 Ų124120.3 Ų120.365%0.64964%0.642SS**SBendtrans-108.2148.1163.8-83.195.2000110.4T71 H76T71-L74 CarbonylContact O-C 3.41Å; T71-L74 WeakPolarHBondContact O-CA 3.4Å; T71-L74 PolarHBondContact O-N 3.31Å; L74-H76 PolarHBondContact O-N 3.22Å
75P47.4Very low52.6Low111 Ų111124.7 Ų124.772%0.72166%0.66SS**  trans-57.8128172.923.6-31.3000109.6V77P75-V77 PolarHBondContact O-N 3.36Å
76H50.5Low50.2Low173 Ų173126.7 Ų126.780%0.80167%0.669SS**SBendtrans-45.558.2172.3177.596.2000114.5L74L74-H76 PolarHBondContact O-N 3.22Å
77V48.2Very low48.3Very low117 Ų117126.5 Ų126.571%0.70967%0.673SS**  trans-138.472.1-177.4-172.60000109.4P75P75-V77 PolarHBondContact O-N 3.36Å
78F41.6Very low46.6Very low167 Ų167129.1 Ų129.173%0.73269%0.69SS**  176.280.8127-123.1-114.6000108.6E80F78-E80 HydrophobicContact CD1-CG 3.56Å; F78-E80 WeakPolarHBondContact CD1-OE2 3.4Å; F78-E80 HydrophobicContact CE1-CG 3.44Å; F78-E80 VanDerWaalsContact CE1-CG 3.44Å; F78-E80 WeakPolarHBondContact CE1-OE2 3.45Å; F78-E80 HydrophobicContact CZ-CG 4.44Å
79N41.8Very low45.5Very low146 Ų146134.3 Ų134.378%0.78171%0.705SS**  trans-103.382.1156.9-165.838.2000106.1G81N79-G81 PolarHBondContact O-N 3.03Å
80E47.9Very low44.3Very low148 Ų148136 Ų13669%0.69271%0.706SS**  trans-48.1123.9167-83.9170.375.800109.2F78F78-E80 HydrophobicContact CD1-CG 3.56Å; F78-E80 WeakPolarHBondContact CD1-OE2 3.4Å; F78-E80 HydrophobicContact CE1-CG 3.44Å; F78-E80 VanDerWaalsContact CE1-CG 3.44Å; F78-E80 WeakPolarHBondContact CE1-OE2 3.45Å; F78-E80 HydrophobicContact CZ-CG 4.44Å
81G41.3Very low43.3Very low60 Ų60135.4 Ų135.462%0.61971%0.707SS**  trans48.8114156.600000115.2N79 G83N79-G81 PolarHBondContact O-N 3.03Å; G81-G83 VanDerWaalsContact CA-N 3.26Å; G81-G83 PolarHBondContact O-N 3.35Å
82R43.7Very low42.6Very low253 Ų253136 Ų13696%0.95571%0.714SS**  -4.751.275.8-53.6-164-150.9-150.46.8115.6P84R82-P84 WeakPolarHBondContact O-CD 3.17Å
83G31.9Very low42.3Very low52 Ų52136.2 Ų136.254%0.53671%0.706SS.*  trans-76.8117.3153.400000105.2G81 K85G81-G83 VanDerWaalsContact CA-N 3.26Å; G81-G83 PolarHBondContact O-N 3.35Å; G83-K85 PolarHBondContact O-N 3.48Å
84P40.2Very low41.9Very low120 Ų120135 Ų13578%0.77970%0.699SS**  trans-54.8113165.323.5-30.2000106.2R82 Q86R82-P84 WeakPolarHBondContact O-CD 3.17Å; P84-Q86 PolarHBondContact O-N 3.46Å; P84-Q86 VanDerWaalsContact O-N 3.1Å
85K36.9Very low41.7Very low181 Ų181138.6 Ų138.679%0.78770%0.704SS**  trans-47126.6165.8-89.5-176.7164.6161.60106.4G83G83-K85 PolarHBondContact O-N 3.48Å
86Q33.6Very low41.6Very low162 Ų162136.7 Ų136.776%0.75770%0.697SS**  trans-52147.6-156.9-65.5153.9-67.300112.3P84 E88P84-Q86 PolarHBondContact O-N 3.46Å; P84-Q86 VanDerWaalsContact O-N 3.1Å; Q86-E88 PolarHBondContact O-N 2.98Å
87P38.9Very low41.5Very low79 Ų79137.1 Ų137.151%0.51369%0.692SS.*  trans-71.564.8179.630.8-35.7000112.3R89 E90P87-R89 PolarHBondContact O-N 2.93Å; P87-E90 HydrophobicContact CB-CB 4.2Å; P87-E90 HydrophobicContact CB-CG 4.01Å; P87-E90 VanDerWaalsContact CB-OE2 3.31Å; P87-E90 WeakPolarHBondContact CB-OE2 3.37Å; P87-E90 PolarHBondContact O-N 3.4Å
88E41.1Very low41.6Very low160 Ų160140.1 Ų140.175%0.74869%0.691SS**Hα-helixtrans-65.9-20.6161.3-81-172.376.400111.2Q86 E90 L91Q86-E88 PolarHBondContact O-N 2.98Å; E88-E90 PolarHBondContact O-N 3.34Å; E88-L91 PolarHBondContact O-N 3.21Å
89R45.4Very low41.9Very low220 Ų220137.4 Ų137.483%0.8368%0.684SS**Hα-helixtrans-65.7-20.1171-85.3-177.6161.3-148.6-2.5113.9P87 V93P87-R89 PolarHBondContact O-N 2.93Å; R89-V93 WeakPolarHBondContact O-CG2 3.11Å; R89-V93 PolarHBondContact O-N 3.3Å
90E39.4Very low42.4Very low135 Ų135140.3 Ų140.363%0.63168%0.684SS**Hα-helixtrans-77.8-24.9176.5-81-173.673.400113.3P87 E88 C92 V93 L94P87-E90 HydrophobicContact CB-CB 4.2Å; P87-E90 HydrophobicContact CB-CG 4.01Å; P87-E90 VanDerWaalsContact CB-OE2 3.31Å; P87-E90 WeakPolarHBondContact CB-OE2 3.37Å; P87-E90 PolarHBondContact O-N 3.4Å; E88-E90 PolarHBondContact O-N 3.34Å; E90-C92 VanDerWaalsContact C-N 3.34Å; E90-C92 PolarHBondContact O-N 3.01Å; E90-V93 PolarHBondContact O-N 3.48Å; E90-L94 WeakPolarHBondContact O-CB 3.38Å; E90-L94 PolarHBondContact O-N 2.93Å
91L39.5Very low42.5Very low131 Ų131136.1 Ų136.169%0.68668%0.675SS**Hα-helixtrans-68.2-33.1175-91.2153.7000112.1E88 R95E88-L91 PolarHBondContact O-N 3.21Å; L91-R95 WeakPolarHBondContact O-CB 3.43Å; L91-R95 PolarHBondContact O-N 2.98Å; L91-R95 VanDerWaalsContact O-N 3.17Å
92C34.6Very low43.2Very low92 Ų92137.8 Ų137.862%0.62267%0.669SS**Hα-helixtrans-74.9-37.3173.7-97.50000112.9E90 R95 A96E90-C92 VanDerWaalsContact C-N 3.34Å; E90-C92 PolarHBondContact O-N 3.01Å; C92-R95 PolarHBondContact O-N 3.31Å; C92-A96 PolarHBondContact O-N 3.33Å
93V43.5Very low43.7Very low83 Ų83131.7 Ų131.750%0.50365%0.654SS.*Hα-helixtrans-71.9-35.2178.31770000111.4R89 E90 A96 R97R89-V93 WeakPolarHBondContact O-CG2 3.11Å; R89-V93 PolarHBondContact O-N 3.3Å; E90-V93 PolarHBondContact O-N 3.48Å; V93-A96 PolarHBondContact O-N 3.42Å; V93-R97 WeakPolarHBondContact O-CB 3.19Å; V93-R97 PolarHBondContact O-N 3.26Å
94L42.2Very low44.9Very low120 Ų120135.8 Ų135.863%0.62866%0.664SS**Hα-helixtrans-70-33.1172.7-159.980.2000111.7E90 R97 R98E90-L94 WeakPolarHBondContact O-CB 3.38Å; E90-L94 PolarHBondContact O-N 2.93Å; L94-R97 PolarHBondContact O-N 3.21Å; L94-R98 WeakPolarHBondContact O-CB 3.3Å; L94-R98 PolarHBondContact O-N 3.46Å
95R46.9Very low45.8Very low201 Ų201137.1 Ų137.176%0.75866%0.663SS**Hα-helixtrans-65.5-43.1172.6-131.7176.6-168.7175.43.4111.8L91 C92 R98 D99L91-R95 WeakPolarHBondContact O-CB 3.43Å; L91-R95 PolarHBondContact O-N 2.98Å; L91-R95 VanDerWaalsContact O-N 3.17Å; C92-R95 PolarHBondContact O-N 3.31Å; R95-R98 PolarHBondContact O-N 3.49Å; R95-D99 PolarHBondContact O-N 3.3Å
96A45.3Very low46.6Very low70 Ų70135.5 Ų135.558%0.57966%0.663SS**Hα-helixtrans-70.8-31177.200000113C92 V93 D99C92-A96 PolarHBondContact O-N 3.33Å; V93-A96 PolarHBondContact O-N 3.42Å; A96-D99 PolarHBondContact O-N 3.36Å
97R48.1Very low47.4Very low182 Ų182133.7 Ų133.769%0.68766%0.657SS**Hα-helixtrans-76.1-24.6174.4-149.1-167.8-67.4-169.71.2112.7V93 L94 D99V93-R97 WeakPolarHBondContact O-CB 3.19Å; V93-R97 PolarHBondContact O-N 3.26Å; L94-R97 PolarHBondContact O-N 3.21Å; R97-D99 VanDerWaalsContact C-N 3.28Å
98R50.7Low47.8Very low180 Ų180135.6 Ų135.668%0.67967%0.669SS**Hα-helixtrans-75.7-16.2174.3-150.8168.290.5147.25.3113.3L94 R95 L102L94-R98 WeakPolarHBondContact O-CB 3.3Å; L94-R98 PolarHBondContact O-N 3.46Å; R95-R98 PolarHBondContact O-N 3.49Å; R98-L102 PolarHBondContact O-N 2.93Å
99D48.1Very low48.6Very low110 Ų110140 Ų14059%0.58868%0.679SS**Hα-helixtrans-76.8-34.3174.5-152.5-103.6000111.9R95 A96 R97 A101 L102 L103R95-D99 PolarHBondContact O-N 3.3Å; A96-D99 PolarHBondContact O-N 3.36Å; R97-D99 VanDerWaalsContact C-N 3.28Å; D99-A101 VanDerWaalsContact C-N 3.32Å; D99-A101 PolarHBondContact O-N 2.7Å; D99-L102 PolarHBondContact O-N 3.41Å; D99-L103 PolarHBondContact O-N 2.99Å
100R51.8Low48.8Very low207 Ų207132.6 Ų132.678%0.78167%0.672SS**Hα-helixtrans-73.7-21.8176.5-155.7173.2169.9152.9-1.2113.6
101A50.5Low49Very low61 Ų61131.1 Ų131.150%0.50468%0.683SS.*Hα-helixtrans-82.8-31.617000000112.3D99 L103 L104 L105D99-A101 VanDerWaalsContact C-N 3.32Å; D99-A101 PolarHBondContact O-N 2.7Å; A101-L103 VanDerWaalsContact C-N 3.34Å; A101-L104 PolarHBondContact O-N 3.11Å; A101-L105 PolarHBondContact O-N 2.83Å
102L54.1Low49.3Very low94 Ų94128.9 Ų128.949%0.49268%0.683SS.*Hα-helixtrans-69.3-31.3171-101.6157000112.3R98 D99 L104 L105 L106R98-L102 PolarHBondContact O-N 2.93Å; D99-L102 PolarHBondContact O-N 3.41Å; L102-L104 PolarHBondContact O-N 3.21Å; L102-L105 CarbonylContact O-C 3.57Å; L102-L105 PolarHBondContact O-N 2.99Å; L102-L106 PolarHBondContact O-N 3.09Å
103L55.7Low50.1Low125 Ų125129.7 Ų129.765%0.65470%0.696SS**Hα-helixtrans-62.9-27.5172.9-161.774.1000112.8D99 A101D99-L103 PolarHBondContact O-N 2.99Å; A101-L103 VanDerWaalsContact C-N 3.34Å
104L57.2Low50.4Low139 Ų139130.5 Ų130.573%0.72871%0.712SS**Hα-helixtrans-83.8-19.4172.5-101.2144.5000113.2A101 L102A101-L104 PolarHBondContact O-N 3.11Å; L102-L104 PolarHBondContact O-N 3.21Å
105L58.7Low50.8Low147 Ų147129.5 Ų129.577%0.7772%0.721SS**Hα-helixtrans-86.3-15.4172.6-139.590.3000112.9A101 L102 L107A101-L105 PolarHBondContact O-N 2.83Å; L102-L105 CarbonylContact O-C 3.57Å; L102-L105 PolarHBondContact O-N 2.99Å; L105-L107 VanDerWaalsContact C-N 3.32Å
106L54.1Low51Low148 Ų148132.2 Ų132.278%0.77573%0.731SS**THydrogen-bonded Turntrans-96.324.6168.9-157.373.7000112L102L102-L106 PolarHBondContact O-N 3.09Å
107L50.8Low51.1Low124 Ų124132.4 Ų132.465%0.64974%0.74SS**SBendtrans-74.4124.9160.3-16273.5000107.2L105 R109L105-L107 VanDerWaalsContact C-N 3.32Å; L107-R109 PolarHBondContact O-N 3.13Å
108P46.6Very low51.3Low118 Ų118128.9 Ų128.977%0.76675%0.75SS**  trans-63100.8-17925.6-33.2000109.5G110P108-G110 VanDerWaalsContact C-N 3.32Å; P108-G110 PolarHBondContact O-N 3.33Å
109R58.4Low51.3Low252 Ų252132.2 Ų132.295%0.95176%0.762SS**  trans-69.194.6163.5-81.6-178.372.1140.6-0.6107.9L107L107-R109 PolarHBondContact O-N 3.13Å
110G49.1Very low51.4Low65 Ų65130.1 Ų130.167%0.6777%0.766SS**  trans90.794.2152.100000116.3P108 A112P108-G110 VanDerWaalsContact C-N 3.32Å; P108-G110 PolarHBondContact O-N 3.33Å; G110-A112 VanDerWaalsContact C-N 3.34Å
111A43.3Very low51.9Low105 Ų105126.8 Ų126.887%0.86877%0.772SS**  trans-87.785.4135.300000105.7
112A46.1Very low51.7Low84 Ų84132.4 Ų132.469%0.69482%0.818SS**  60.383.893.500000110.6G110 A114G110-A112 VanDerWaalsContact C-N 3.34Å; A112-A114 PolarHBondContact O-N 2.9Å; A112-A114 VanDerWaalsContact O-N 3.13Å
113A50.7Low51.5Low109 Ų109134.3 Ų134.390%0.90183%0.834SS**  trans-51.9110.816000000109.6
114A50.3Low51.3Low100 Ų100134.8 Ų134.883%0.82684%0.844SS**  trans-12183.3172.400000109.1A112A112-A114 PolarHBondContact O-N 2.9Å; A112-A114 VanDerWaalsContact O-N 3.13Å
115A51.3Low51Low98 Ų98134.6 Ų134.681%0.8185%0.85SS**  trans-158.365.8163.600000110.8
116R49.6Very low50.5Low258 Ų258133.8 Ų133.897%0.97486%0.855SS**  trans-159.5112.4158.5-119.4177.6174.8-161.7-2.3109.8
117G47.3Very low50.3Low75 Ų75132.9 Ų132.977%0.77386%0.86SS**  trans166.236.4174.700000116.8R119G117-R119 VanDerWaalsContact C-N 3.29Å; G117-R119 PolarHBondContact O-N 3.31Å
118A52.4Low50.3Low108 Ų108133.5 Ų133.589%0.89387%0.874SS**  trans-68.492158.600000108.4
119R51.3Low50.6Low250 Ų250134.6 Ų134.694%0.94388%0.881SS**  trans-67.2128147.8-91.2179.3161.1-163.1-4.6105.1G117G117-R119 VanDerWaalsContact C-N 3.29Å; G117-R119 PolarHBondContact O-N 3.31Å
120G50.3Low50Low65 Ų65125.6 Ų125.667%0.6788%0.876SS**  cis115.2139.539.100000107.3
121P61.8Low50Low138 Ų138130.7 Ų130.790%0.89689%0.893SS**  trans-85.5154.4-157.835.4-36.9000114.4
122A45.8Very low50.6Low178 Ų178133 Ų133100%1.47190%0.896SS**  trans-167.20141.800000108.8

Retrieved 122 of 122 residues in 64.5 ms (Link to these results)