A0A087WT35_HUMAN Loading...

Phosphatidylinositol-5-phosphate 4-kinase type 2 beta

AlphaFold DB , UniProt , Accession A0A087WT35, Species HUMAN (Homo sapiens, Human), Gene PIP4K2B, Length 71 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
1M82.9Confident94.9Very high231 Ų231105.1 Ų105.1100%1.13853%0.531SS*.  0137.60-170.2169.9179.900107.6
2L93.3Very high95.2Very high45 Ų45107.3 Ų107.324%0.23654%0.535CS..  trans-80.1138.8178.7-65.5170.7000110.2D6 F7 M37 V38 N41L2-D6 HydrophobicContact CD2-CB 4.37Å; L2-F7 HydrophobicContact CB-CE2 4.04Å; L2-F7 HydrophobicContact CB-CZ 4.47Å; L2-F7 HydrophobicContact CD1-CE2 4.37Å; L2-F7 HydrophobicContact CD1-CZ 4.02Å; L2-M37 HydrophobicContact CD2-CB 4.14Å; L2-V38 HydrophobicContact CD1-CB 4.35Å; L2-V38 HydrophobicContact CD1-CG1 4.21Å; L2-V38 HydrophobicContact CD1-CG2 4.19Å; L2-V38 HydrophobicContact CD2-CG2 4.34Å; L2-N41 HydrophobicContact CD1-CB 4.19Å; L2-N41 HydrophobicContact CD2-CB 4.3Å; L2-N41 HydrophobicContact CG-CB 4.45Å
3M95.5Very high95.3Very high120 Ų120105.5 Ų105.559%0.59153%0.527SS*.  trans-94.5156.1175.8-61.3-60.1-75.900110.4D5 D6M3-D5 PolarHBondContact O-N 3Å; M3-D5 VanDerWaalsContact O-N 3.13Å; M3-D6 PolarHBondContact N-OD2 3.13Å; M3-D6 VanDerWaalsContact O-CB 3.3Å; M3-D6 WeakPolarHBondContact O-CB 3.37Å; M3-D6 PolarHBondContact O-N 3.31Å
4P96Very high95.5Very high95 Ų95108.3 Ų108.362%0.61753%0.534SS*.G310 helixtrans-54.7-32.9178.1-2836.1000114D6 F7P4-D6 VanDerWaalsContact C-N 3.28Å; P4-D6 PolarHBondContact O-N 2.78Å; P4-F7 PolarHBondContact O-N 2.91Å
5D96.1Very high95.5Very high118 Ų118103.3 Ų103.363%0.63151%0.512SS*.G310 helixtrans-68.4-26.2178.7-68.1-20.7000112.9M3 F7 K8 A9M3-D5 PolarHBondContact O-N 3Å; M3-D5 VanDerWaalsContact O-N 3.13Å; D5-F7 PolarHBondContact O-N 3.19Å; D5-K8 PolarHBondContact O-N 3.41Å; D5-A9 PolarHBondContact O-N 2.97Å
6D96.6Very high95.5Very high34 Ų34102.3 Ų102.318%0.18251%0.509CS..G310 helixtrans-62.4-26.9177.1-66.1-42.1000111.9L2 M3 P4 K8 C35 M37 V38L2-D6 HydrophobicContact CD2-CB 4.37Å; M3-D6 PolarHBondContact N-OD2 3.13Å; M3-D6 VanDerWaalsContact O-CB 3.3Å; M3-D6 WeakPolarHBondContact O-CB 3.37Å; M3-D6 PolarHBondContact O-N 3.31Å; P4-D6 VanDerWaalsContact C-N 3.28Å; P4-D6 PolarHBondContact O-N 2.78Å; D6-K8 VanDerWaalsContact C-N 3.3Å; D6-C35 WeakPolarHBondContact O-CA 3.4Å; D6-C35 WeakPolarHBondContact O-CB 3.41Å; D6-M37 HydrophobicContact CB-CB 4.31Å; D6-V38 HydrophobicContact CB-CG2 3.89Å; D6-V38 WeakPolarHBondContact O-CG2 3.3Å
7F96.6Very high95.4Very high118 Ų11898.6 Ų98.652%0.51849%0.492SS..G310 helixtrans-81.4-8.3177.6-66.8-92.8000113.8L2 P4 D5 C35 V38L2-F7 HydrophobicContact CB-CE2 4.04Å; L2-F7 HydrophobicContact CB-CZ 4.47Å; L2-F7 HydrophobicContact CD1-CE2 4.37Å; L2-F7 HydrophobicContact CD1-CZ 4.02Å; P4-F7 PolarHBondContact O-N 2.91Å; D5-F7 PolarHBondContact O-N 3.19Å; F7-C35 VanDerWaalsContact C-SG 3.54Å; F7-C35 PolarHBondContact O-SG 3Å; F7-V38 HydrophobicContact CD1-CG1 4.17Å; F7-V38 HydrophobicContact CD1-CG2 3.97Å; F7-V38 HydrophobicContact CD2-CG2 4.25Å; F7-V38 HydrophobicContact CE1-CG1 3.73Å; F7-V38 HydrophobicContact CE1-CG2 4.04Å; F7-V38 HydrophobicContact CE2-CG2 4.3Å; F7-V38 HydrophobicContact CG-CG2 4.08Å; F7-V38 HydrophobicContact CZ-CG1 4.26Å; F7-V38 HydrophobicContact CZ-CG2 4.2Å
8K95.9Very high95.3Very high167 Ų167102.1 Ų102.173%0.72651%0.506SS*.THydrogen-bonded Turntrans-113.6-14.4175.1-62.2177.2-175.7171.10112.2D5 D6D5-K8 PolarHBondContact O-N 3.41Å; D6-K8 VanDerWaalsContact C-N 3.3Å
9A97Very high94.9Very high36 Ų36103.6 Ų103.630%0.29852%0.515SS..  trans-61.1147.5179.800000111.6D5 C35D5-A9 PolarHBondContact O-N 2.97Å; A9-C35 WeakPolarHBondContact O-CA 3.38Å; A9-C35 PolarHBondContact O-N 3.18Å
10Y97.3Very high94.8Very high141 Ų141105.3 Ų105.355%0.55352%0.519SS*.EExtended strand (participates in β ladder)trans-149150.4169.861.8-94.7000110.2K12 K32 E33Y10-K12 HydrophobicContact CD2-CB 4.28Å; Y10-K12 HydrophobicContact CE2-CB 4.42Å; Y10-K32 HydrophobicContact CD2-CD 4.44Å; Y10-K32 VanDerWaalsContact CD2-CE 3.48Å; Y10-K32 VanDerWaalsContact CG-CE 3.41Å; Y10-E33 CarbonylContact C-O 3.47Å; Y10-E33 WeakPolarHBondContact CA-O 3.46Å; Y10-E33 WeakPolarHBondContact CB-O 3.19Å
11S97.2Very high94.5Very high51 Ų51103 Ų10336%0.35751%0.509SS..EExtended strand (participates in β ladder)trans-107.3132.7167.8-177.20000108.8K32 E33S11-K32 CarbonylContact O-C 3.51Å; S11-K32 VanDerWaalsContact O-CA 3.26Å; S11-K32 WeakPolarHBondContact O-CA 3.42Å; S11-E33 PolarHBondContact N-O 2.85Å; S11-E33 PolarHBondContact O-N 3.46Å
12K97.6Very high94.7Very high131 Ų13197.6 Ų97.657%0.5748%0.48SS*.EExtended strand (participates in β ladder)trans-129.8124.1179.5-173.5177.5-179.1177.80110.2Y10 F31 K32Y10-K12 HydrophobicContact CD2-CB 4.28Å; Y10-K12 HydrophobicContact CE2-CB 4.42Å; K12-F31 CarbonylContact C-O 3.49Å; K12-F31 WeakPolarHBondContact CA-O 3.47Å; K12-K32 HydrophobicContact CB-CG 4.41Å
13I97.6Very high94.6Very high85 Ų85104 Ų10444%0.43651%0.508SS..EExtended strand (participates in β ladder)trans-114.3134.9179.6-55.6172.6000108V15 K30 F31I13-V15 HydrophobicContact CG2-CG2 4.01Å; I13-K30 CarbonylContact O-C 3.57Å; I13-K30 VanDerWaalsContact O-CA 3.22Å; I13-K30 WeakPolarHBondContact O-CA 3.39Å; I13-F31 HydrophobicContact CB-CB 4.47Å; I13-F31 HydrophobicContact CD1-CD1 4.46Å; I13-F31 PolarHBondContact N-O 3.07Å; I13-F31 PolarHBondContact O-N 3.21Å
14K97.2Very high94.4Very high144 Ų144104.4 Ų104.463%0.62651%0.513SS*.EExtended strand (participates in β ladder)trans-122.6125.2170.4-180-172.9175.4-162.50107.6K30K14-K30 HydrophobicContact CB-CG 4.17Å; K14-K30 HydrophobicContact CG-CG 3.98Å
15V96.3Very high94.1Very high33 Ų33103.6 Ų103.620%0.250%0.503CS..EExtended strand (participates in β ladder)trans-112.8131.7177.7-179.10000108.7I13 N17 R28 F29I13-V15 HydrophobicContact CG2-CG2 4.01Å; V15-N17 WeakPolarHBondContact CG1-OD1 3.38Å; V15-R28 WeakPolarHBondContact O-CA 3.45Å; V15-F29 HydrophobicContact CB-CD1 3.98Å; V15-F29 HydrophobicContact CB-CD2 4.49Å; V15-F29 HydrophobicContact CB-CE1 3.62Å; V15-F29 HydrophobicContact CB-CE2 4.17Å; V15-F29 HydrophobicContact CB-CG 4.41Å; V15-F29 HydrophobicContact CB-CZ 3.73Å; V15-F29 HydrophobicContact CG1-CD1 4.32Å; V15-F29 HydrophobicContact CG1-CE1 3.69Å; V15-F29 HydrophobicContact CG1-CZ 4.05Å; V15-F29 HydrophobicContact CG2-CD2 4.46Å; V15-F29 HydrophobicContact CG2-CE1 3.99Å; V15-F29 HydrophobicContact CG2-CE2 3.79Å; V15-F29 HydrophobicContact CG2-CZ 3.53Å; V15-F29 PolarHBondContact N-O 3.42Å; V15-F29 PolarHBondContact O-N 3.15Å; V15-F29 VanDerWaalsContact O-N 3.15Å
16D95.4Very high94Very high87 Ų87102 Ų10247%0.46550%0.499SS..EExtended strand (participates in β ladder)trans-138.398.1174.6-163.4-12.9000108.6S27 R28D16-S27 CarbonylContact C-O 3.54Å; D16-S27 WeakPolarHBondContact CA-O 3.37Å; D16-R28 HydrophobicContact CB-CG 4.46Å; D16-R28 VanDerWaalsContact OD1-CG 3.28Å; D16-R28 WeakPolarHBondContact OD1-CG 3.29Å; D16-R28 IonicContact OD1-CZ 3.46Å; D16-R28 IonicContact OD1-NE 2.78Å; D16-R28 PolarHBondContact OD1-NE 3.24Å; D16-R28 IonicContact OD1-NH2 3.08Å; D16-R28 IonicContact OD2-NE 2.87Å
17N92.8Very high93.8Very high40 Ų40102.2 Ų102.221%0.21450%0.503CS..  trans-100.5131.4-176.1-69.7-19.2000110V15 F20 S27V15-N17 WeakPolarHBondContact CG1-OD1 3.38Å; N17-F20 HydrophobicContact CB-CB 4.34Å; N17-S27 PolarHBondContact N-O 3.49Å
18H94.4Very high93.8Very high162 Ų162105.5 Ų105.575%0.7551%0.512SS*.SBendtrans-107.2117.4171.6-172.170.4000109.8F20H18-F20 PolarHBondContact O-N 3.23Å; H18-F20 VanDerWaalsContact O-N 3.12Å
19L87.9Confident93.9Very high130 Ų130100.9 Ų100.968%0.68149%0.492SS*.SBendtrans52.931.6179.2-60.3173.3000114.5
20F91.8Very high93.9Very high137 Ų137105.9 Ų105.960%0.60151%0.507SS*.SBendtrans-129.5134.8-178.7-179.5-102.5000111.4N17 H18 K22N17-F20 HydrophobicContact CB-CB 4.34Å; H18-F20 PolarHBondContact O-N 3.23Å; H18-F20 VanDerWaalsContact O-N 3.12Å; F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 2.81Å; F20-K22 VanDerWaalsContact O-N 3.11Å
21N88.8Confident93.9Very high58 Ų58104.8 Ų104.831%0.3151%0.505SS..SBendtrans48.535.3173.1-161.132000116.3E23 N24 L25N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 2.84Å; N21-N24 PolarHBondContact O-N 3.15Å; N21-N24 WeakPolarHBondContact OD1-CB 3.43Å; N21-N24 PolarHBondContact OD1-ND2 3Å; N21-L25 PolarHBondContact O-N 2.91Å
22K88.2Confident93.9Very high118 Ų118106 Ų10651%0.51350%0.504SS..THydrogen-bonded Turntrans-65.7-27-174.3-72.2-171.9170.9-176.50114.5F20F20-K22 VanDerWaalsContact C-N 3.26Å; F20-K22 PolarHBondContact O-N 2.81Å; F20-K22 VanDerWaalsContact O-N 3.11Å
23E91.3Very high93.9Very high180 Ų180103.2 Ų103.284%0.84149%0.493SS*.THydrogen-bonded Turntrans-74.5-31.7-177.9-57.8-55.5133.900112.4N21N21-E23 VanDerWaalsContact C-N 3.28Å; N21-E23 PolarHBondContact O-N 2.84Å
24N89.9Confident93.9Very high128 Ų128105.5 Ų105.568%0.68450%0.497SS*.THydrogen-bonded Turntrans-100.2-30.5-174.2-60-56000113.4N21N21-N24 PolarHBondContact O-N 3.15Å; N21-N24 WeakPolarHBondContact OD1-CB 3.43Å; N21-N24 PolarHBondContact OD1-ND2 3Å
25L91.1Very high93.9Very high78 Ų7899.6 Ų99.641%0.40847%0.474SS..SBendtrans-137.6147.8-174.5-70.5175.7000112.2N21 S27N21-L25 PolarHBondContact O-N 2.91Å; L25-S27 PolarHBondContact O-N 2.98Å
26P93.2Very high93.9Very high85 Ų8599.7 Ų99.755%0.55248%0.475SS*.  trans-56.1139.2168-22.433.1000111.1R28 F29P26-R28 PolarHBondContact O-N 2.88Å; P26-F29 HydrophobicContact CB-CD1 4.35Å; P26-F29 VanDerWaalsContact O-CD1 3.25Å; P26-F29 WeakPolarHBondContact O-CD1 3.36Å
27S93.2Very high94Very high37 Ų3799.1 Ų99.126%0.25947%0.471SS..SBendtrans-67.5-25.8-179.6-570000113.2D16 N17 L25D16-S27 CarbonylContact C-O 3.54Å; D16-S27 WeakPolarHBondContact CA-O 3.37Å; N17-S27 PolarHBondContact N-O 3.49Å; L25-S27 PolarHBondContact O-N 2.98Å
28R96.3Very high94.3Very high188 Ų18897.9 Ų97.971%0.70947%0.465SS*.EExtended strand (participates in β ladder)trans-135.3111.4-178.6-69.6179.1179164.72.2110.3V15 D16 P26V15-R28 WeakPolarHBondContact O-CA 3.45Å; D16-R28 HydrophobicContact CB-CG 4.46Å; D16-R28 VanDerWaalsContact OD1-CG 3.28Å; D16-R28 WeakPolarHBondContact OD1-CG 3.29Å; D16-R28 IonicContact OD1-CZ 3.46Å; D16-R28 IonicContact OD1-NE 2.78Å; D16-R28 PolarHBondContact OD1-NE 3.24Å; D16-R28 IonicContact OD1-NH2 3.08Å; D16-R28 IonicContact OD2-NE 2.87Å; P26-R28 PolarHBondContact O-N 2.88Å
29F96.4Very high94.4Very high70 Ų7095.5 Ų95.531%0.30745%0.452SS..EExtended strand (participates in β ladder)trans-147.7165.2175.565.8-86.8000111.7V15 P26V15-F29 HydrophobicContact CB-CD1 3.98Å; V15-F29 HydrophobicContact CB-CD2 4.49Å; V15-F29 HydrophobicContact CB-CE1 3.62Å; V15-F29 HydrophobicContact CB-CE2 4.17Å; V15-F29 HydrophobicContact CB-CG 4.41Å; V15-F29 HydrophobicContact CB-CZ 3.73Å; V15-F29 HydrophobicContact CG1-CD1 4.32Å; V15-F29 HydrophobicContact CG1-CE1 3.69Å; V15-F29 HydrophobicContact CG1-CZ 4.05Å; V15-F29 HydrophobicContact CG2-CD2 4.46Å; V15-F29 HydrophobicContact CG2-CE1 3.99Å; V15-F29 HydrophobicContact CG2-CE2 3.79Å; V15-F29 HydrophobicContact CG2-CZ 3.53Å; V15-F29 PolarHBondContact N-O 3.42Å; V15-F29 PolarHBondContact O-N 3.15Å; V15-F29 VanDerWaalsContact O-N 3.15Å; P26-F29 HydrophobicContact CB-CD1 4.35Å; P26-F29 VanDerWaalsContact O-CD1 3.25Å; P26-F29 WeakPolarHBondContact O-CD1 3.36Å
30K97.1Very high94.8Very high141 Ų14195 Ų9561%0.61344%0.441SS*.EExtended strand (participates in β ladder)trans-129.4138.5174.8-64.8172.2-172.5167.40108.1I13 K14I13-K30 CarbonylContact O-C 3.57Å; I13-K30 VanDerWaalsContact O-CA 3.22Å; I13-K30 WeakPolarHBondContact O-CA 3.39Å; K14-K30 HydrophobicContact CB-CG 4.17Å; K14-K30 HydrophobicContact CG-CG 3.98Å
31F97.3Very high95.1Very high118 Ų11890.2 Ų90.252%0.51842%0.422SS..EExtended strand (participates in β ladder)trans-122.1139.3173.6-178.4-101.5000108.5K12 I13 E33K12-F31 CarbonylContact C-O 3.49Å; K12-F31 WeakPolarHBondContact CA-O 3.47Å; I13-F31 HydrophobicContact CB-CB 4.47Å; I13-F31 HydrophobicContact CD1-CD1 4.46Å; I13-F31 PolarHBondContact N-O 3.07Å; I13-F31 PolarHBondContact O-N 3.21Å; F31-E33 HydrophobicContact CE1-CB 4.02Å
32K97.8Very high95.5Very high75 Ų7590.6 Ų90.633%0.32642%0.424SS..EExtended strand (participates in β ladder)trans-136.2121.4176.6-173.2176.5177.3-167.50109.5Y10 S11 K12 Y34Y10-K32 HydrophobicContact CD2-CD 4.44Å; Y10-K32 VanDerWaalsContact CD2-CE 3.48Å; Y10-K32 VanDerWaalsContact CG-CE 3.41Å; S11-K32 CarbonylContact O-C 3.51Å; S11-K32 VanDerWaalsContact O-CA 3.26Å; S11-K32 WeakPolarHBondContact O-CA 3.42Å; K12-K32 HydrophobicContact CB-CG 4.41Å; K32-Y34 HydrophobicContact CD-CE1 4.01Å; K32-Y34 HydrophobicContact CD-CE2 3.99Å; K32-Y34 WeakPolarHBondContact CD-OH 3.42Å; K32-Y34 WeakPolarHBondContact CE-OH 3.13Å; K32-Y34 HydrophobicContact CG-CE2 4.12Å; K32-Y34 VanDerWaalsContact NZ-CZ 3.33Å; K32-Y34 PolarHBondContact NZ-OH 3.1Å
33E97.5Very high95.9Very high73 Ų7387.4 Ų87.434%0.34141%0.408SS..EExtended strand (participates in β ladder)trans-102.7128.9173.2-174.4178.3-152.800108.7Y10 S11 F31 P36Y10-E33 CarbonylContact C-O 3.47Å; Y10-E33 WeakPolarHBondContact CA-O 3.46Å; Y10-E33 WeakPolarHBondContact CB-O 3.19Å; S11-E33 PolarHBondContact N-O 2.85Å; S11-E33 PolarHBondContact O-N 3.46Å; F31-E33 HydrophobicContact CE1-CB 4.02Å; E33-P36 HydrophobicContact CG-CB 4.25Å
34Y97.9Very high96.2Very high133 Ų13385.3 Ų85.352%0.52240%0.399SS..EExtended strand (participates in β ladder)trans-98.1141.2178.2-70.2-86000109.8K32 F39K32-Y34 HydrophobicContact CD-CE1 4.01Å; K32-Y34 HydrophobicContact CD-CE2 3.99Å; K32-Y34 WeakPolarHBondContact CD-OH 3.42Å; K32-Y34 WeakPolarHBondContact CE-OH 3.13Å; K32-Y34 HydrophobicContact CG-CE2 4.12Å; K32-Y34 VanDerWaalsContact NZ-CZ 3.33Å; K32-Y34 PolarHBondContact NZ-OH 3.1Å; Y34-F39 WeakPolarHBondContact O-CD2 3.42Å; Y34-F39 WeakPolarHBondContact O-CE2 3.26Å
35C97.5Very high96.5Very high21 Ų2188.1 Ų88.114%0.14240%0.4CS..SBendtrans46.352.6172.3-46.20000113.3D6 F7 A9 M37 V38 F39D6-C35 WeakPolarHBondContact O-CA 3.4Å; D6-C35 WeakPolarHBondContact O-CB 3.41Å; F7-C35 VanDerWaalsContact C-SG 3.54Å; F7-C35 PolarHBondContact O-SG 3Å; A9-C35 WeakPolarHBondContact O-CA 3.38Å; A9-C35 PolarHBondContact O-N 3.18Å; C35-M37 VanDerWaalsContact C-N 3.26Å; C35-M37 PolarHBondContact O-N 3.46Å; C35-M37 VanDerWaalsContact O-N 3.15Å; C35-V38 HydrophobicContact CB-CB 3.78Å; C35-V38 HydrophobicContact CB-CG2 3.79Å; C35-V38 WeakPolarHBondContact O-CA 3.47Å; C35-V38 WeakPolarHBondContact O-CB 3.07Å; C35-V38 PolarHBondContact O-N 3.13Å; C35-F39 HydrophobicContact CB-CD2 4.2Å; C35-F39 HydrophobicContact CB-CE2 4.3Å; C35-F39 PolarHBondContact O-N 3.38Å
36P97.1Very high96.9Very high35 Ų3591.7 Ų91.723%0.22741%0.412CS..Hα-helixtrans-56.3-40-168.321.6-33.7000112.6E33 V38 R40E33-P36 HydrophobicContact CG-CB 4.25Å; P36-V38 VanDerWaalsContact C-N 3.35Å; P36-V38 PolarHBondContact O-N 3.36Å; P36-R40 WeakPolarHBondContact O-CB 3.35Å; P36-R40 PolarHBondContact O-N 3.03Å
37M97Very high97Very high75 Ų7591 Ų9137%0.36942%0.421SS..Hα-helixtrans-67.5-35.3177.6-65-60.9-66.500112.7L2 D6 C35 N41L2-M37 HydrophobicContact CD2-CB 4.14Å; D6-M37 HydrophobicContact CB-CB 4.31Å; C35-M37 VanDerWaalsContact C-N 3.26Å; C35-M37 PolarHBondContact O-N 3.46Å; C35-M37 VanDerWaalsContact O-N 3.15Å; M37-N41 PolarHBondContact O-N 2.87Å; M37-N41 VanDerWaalsContact O-N 3.07Å
38V97.9Very high97.3Very high14 Ų1492.9 Ų92.99%0.08543%0.427CS..Hα-helixtrans-68.8-49.1178-177.20000110.1L2 D6 F7 C35 P36 R40 N41 L42L2-V38 HydrophobicContact CD1-CB 4.35Å; L2-V38 HydrophobicContact CD1-CG1 4.21Å; L2-V38 HydrophobicContact CD1-CG2 4.19Å; L2-V38 HydrophobicContact CD2-CG2 4.34Å; D6-V38 HydrophobicContact CB-CG2 3.89Å; D6-V38 WeakPolarHBondContact O-CG2 3.3Å; F7-V38 HydrophobicContact CD1-CG1 4.17Å; F7-V38 HydrophobicContact CD1-CG2 3.97Å; F7-V38 HydrophobicContact CD2-CG2 4.25Å; F7-V38 HydrophobicContact CE1-CG1 3.73Å; F7-V38 HydrophobicContact CE1-CG2 4.04Å; F7-V38 HydrophobicContact CE2-CG2 4.3Å; F7-V38 HydrophobicContact CG-CG2 4.08Å; F7-V38 HydrophobicContact CZ-CG1 4.26Å; F7-V38 HydrophobicContact CZ-CG2 4.2Å; C35-V38 HydrophobicContact CB-CB 3.78Å; C35-V38 HydrophobicContact CB-CG2 3.79Å; C35-V38 WeakPolarHBondContact O-CA 3.47Å; C35-V38 WeakPolarHBondContact O-CB 3.07Å; C35-V38 PolarHBondContact O-N 3.13Å; P36-V38 VanDerWaalsContact C-N 3.35Å; P36-V38 PolarHBondContact O-N 3.36Å; V38-R40 VanDerWaalsContact C-N 3.34Å; V38-R40 PolarHBondContact O-N 2.82Å; V38-N41 PolarHBondContact O-N 2.92Å; V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.4Å
39F97.6Very high97.3Very high111 Ų11188 Ų8849%0.48742%0.415SS..Hα-helixtrans-66.5-35.4178.9-79-77.2000112.7Y34 C35 L42 R43Y34-F39 WeakPolarHBondContact O-CD2 3.42Å; Y34-F39 WeakPolarHBondContact O-CE2 3.26Å; C35-F39 HydrophobicContact CB-CD2 4.2Å; C35-F39 HydrophobicContact CB-CE2 4.3Å; C35-F39 PolarHBondContact O-N 3.38Å; F39-L42 HydrophobicContact CD1-CD1 4.11Å; F39-L42 HydrophobicContact CE1-CD1 4.38Å; F39-L42 PolarHBondContact O-N 2.78Å; F39-R43 WeakPolarHBondContact O-CG 3.19Å; F39-R43 PolarHBondContact O-N 3.16Å
40R96.8Very high97.2Very high119 Ų11987.4 Ų87.445%0.44942%0.415SS..Hα-helixtrans-60-46.5171.2-172.8174.169.9167.67.3111.8P36 V38 L42 R43 E44 D50P36-R40 WeakPolarHBondContact O-CB 3.35Å; P36-R40 PolarHBondContact O-N 3.03Å; V38-R40 VanDerWaalsContact C-N 3.34Å; V38-R40 PolarHBondContact O-N 2.82Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.75Å; R40-R43 PolarHBondContact O-N 3.08Å; R40-E44 PolarHBondContact O-N 2.8Å; R40-E44 VanDerWaalsContact O-N 3.13Å; R40-D50 WeakPolarHBondContact CD-OD2 3.47Å; R40-D50 WeakPolarHBondContact CG-OD2 3.36Å
41N96.8Very high97.2Very high38 Ų3887 Ų8720%0.20342%0.416CS..Hα-helixtrans-67.1-31177-171.8-116.1000112.7L2 M37 V38 E44 R45L2-N41 HydrophobicContact CD1-CB 4.19Å; L2-N41 HydrophobicContact CD2-CB 4.3Å; L2-N41 HydrophobicContact CG-CB 4.45Å; M37-N41 PolarHBondContact O-N 2.87Å; M37-N41 VanDerWaalsContact O-N 3.07Å; V38-N41 PolarHBondContact O-N 2.92Å; N41-E44 PolarHBondContact ND2-OE2 2.98Å; N41-E44 VanDerWaalsContact ND2-OE2 3.15Å; N41-R45 VanDerWaalsContact O-CG 3.29Å; N41-R45 WeakPolarHBondContact O-CG 3.22Å; N41-R45 PolarHBondContact O-N 3.28Å; N41-R45 VanDerWaalsContact O-N 3.1Å; N41-R45 PolarHBondContact OD1-NE 3.13Å; N41-R45 PolarHBondContact OD1-NH2 3.44Å
42L97.6Very high97.2Very high66 Ų6686.1 Ų86.135%0.34642%0.416SS..Hα-helixtrans-65.1-45.9172.1-74.6171.8000111.5V38 F39 R40 E44 R45 F46V38-L42 HydrophobicContact CG1-CD1 4.35Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 3.4Å; F39-L42 HydrophobicContact CD1-CD1 4.11Å; F39-L42 HydrophobicContact CE1-CD1 4.38Å; F39-L42 PolarHBondContact O-N 2.78Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.75Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.04Å; L42-R45 PolarHBondContact O-N 3.45Å; L42-R45 VanDerWaalsContact O-N 3.13Å; L42-F46 HydrophobicContact CB-CD2 4.47Å; L42-F46 HydrophobicContact CB-CE2 4.38Å; L42-F46 HydrophobicContact CD2-CE2 4.39Å; L42-F46 WeakPolarHBondContact O-CD2 3.39Å; L42-F46 PolarHBondContact O-N 2.9Å
43R97.6Very high97.1Very high50 Ų5087.5 Ų87.519%0.18942%0.42CS..Hα-helixtrans-55.5-47.7176.2-73.1-168.9-60.3-135.5-1.5111.5F39 R40 R45 F46 G47 I48 D50 Y53F39-R43 WeakPolarHBondContact O-CG 3.19Å; F39-R43 PolarHBondContact O-N 3.16Å; R40-R43 PolarHBondContact O-N 3.08Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 2.89Å; R43-F46 CarbonylContact O-C 3.53Å; R43-F46 PolarHBondContact O-N 2.9Å; R43-F46 VanDerWaalsContact O-N 3.08Å; R43-G47 PolarHBondContact O-N 3.15Å; R43-G47 VanDerWaalsContact O-N 3.16Å; R43-I48 CarbonylContact C-O 3.6Å; R43-I48 HydrophobicContact CB-CB 4.21Å; R43-I48 PolarHBondContact O-N 2.88Å; R43-D50 IonicContact CZ-OD1 3.53Å; R43-D50 IonicContact NE-OD1 3.79Å; R43-D50 PolarHBondContact NE-OD1 3.11Å; R43-D50 VanDerWaalsContact NH2-CG 3.3Å; R43-D50 IonicContact NH2-OD1 3.76Å; R43-D50 PolarHBondContact NH2-OD1 3.23Å; R43-D50 IonicContact NH2-OD2 2.75Å; R43-D50 PolarHBondContact NH2-OD2 3.45Å; R43-Y53 VanDerWaalsContact NH1-CE1 3.3Å
44E96.6Very high97.1Very high137 Ų13789.5 Ų89.564%0.6443%0.429SS*.Hα-helixtrans-56-45.9175.3-175.3-173.9-174.600112.1R40 N41 L42 F46 G47R40-E44 PolarHBondContact O-N 2.8Å; R40-E44 VanDerWaalsContact O-N 3.13Å; N41-E44 PolarHBondContact ND2-OE2 2.98Å; N41-E44 VanDerWaalsContact ND2-OE2 3.15Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.04Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å; E44-G47 PolarHBondContact O-N 3.12Å
45R97.1Very high97Very high187 Ų18786.6 Ų86.671%0.70642%0.423SS*.Hα-helixtrans-65.5-28.9177.5-71.5172.9-171.3-120.42.1113.7N41 L42 R43 G47N41-R45 VanDerWaalsContact O-CG 3.29Å; N41-R45 WeakPolarHBondContact O-CG 3.22Å; N41-R45 PolarHBondContact O-N 3.28Å; N41-R45 VanDerWaalsContact O-N 3.1Å; N41-R45 PolarHBondContact OD1-NE 3.13Å; N41-R45 PolarHBondContact OD1-NH2 3.44Å; L42-R45 PolarHBondContact O-N 3.45Å; L42-R45 VanDerWaalsContact O-N 3.13Å; R43-R45 VanDerWaalsContact C-N 3.34Å; R43-R45 PolarHBondContact O-N 2.89Å; R45-G47 VanDerWaalsContact C-N 3.25Å
46F97.8Very high97Very high153 Ų15390 Ų9067%0.67145%0.447SS*.THydrogen-bonded Turntrans-841.7173.4-71.1-62.2000113L42 R43 E44 I48L42-F46 HydrophobicContact CB-CD2 4.47Å; L42-F46 HydrophobicContact CB-CE2 4.38Å; L42-F46 HydrophobicContact CD2-CE2 4.39Å; L42-F46 WeakPolarHBondContact O-CD2 3.39Å; L42-F46 PolarHBondContact O-N 2.9Å; R43-F46 CarbonylContact O-C 3.53Å; R43-F46 PolarHBondContact O-N 2.9Å; R43-F46 VanDerWaalsContact O-N 3.08Å; E44-F46 VanDerWaalsContact C-N 3.28Å; E44-F46 PolarHBondContact O-N 3.45Å; F46-I48 VanDerWaalsContact C-N 3.26Å; F46-I48 HydrophobicContact CB-CD1 4.02Å; F46-I48 HydrophobicContact CB-CG1 4.1Å; F46-I48 PolarHBondContact O-N 2.93Å
47G96.6Very high96.8Very high71 Ų7192 Ų9273%0.73246%0.458SS*.THydrogen-bonded Turntrans6924.9-177.400000113.2R43 E44 R45R43-G47 PolarHBondContact O-N 3.15Å; R43-G47 VanDerWaalsContact O-N 3.16Å; E44-G47 PolarHBondContact O-N 3.12Å; R45-G47 VanDerWaalsContact C-N 3.25Å
48I97.9Very high96.8Very high76 Ų7692.9 Ų92.939%0.3947%0.468SS..  trans-97.7116.9178.1-59.7173.4000108.1R43 F46 Y53R43-I48 CarbonylContact C-O 3.6Å; R43-I48 HydrophobicContact CB-CB 4.21Å; R43-I48 PolarHBondContact O-N 2.88Å; F46-I48 VanDerWaalsContact C-N 3.26Å; F46-I48 HydrophobicContact CB-CD1 4.02Å; F46-I48 HydrophobicContact CB-CG1 4.1Å; F46-I48 PolarHBondContact O-N 2.93Å; I48-Y53 HydrophobicContact CG2-CD2 4.3Å; I48-Y53 HydrophobicContact CG2-CG 4.48Å
49D97.2Very high96.6Very high84 Ų84102.8 Ų102.845%0.44950%0.504SS..  trans-70143.4172.3178-95.9000111.4Q51 D52 Y53D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 3.21Å; D49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.36Å; D49-Q51 PolarHBondContact OD1-N 2.92Å; D49-D52 HydrophobicContact CB-CB 4.13Å; D49-D52 PolarHBondContact O-N 3.23Å; D49-D52 PolarHBondContact OD1-N 2.92Å; D49-D52 VanDerWaalsContact OD1-N 3.12Å; D49-Y53 WeakPolarHBondContact O-CB 3.28Å; D49-Y53 PolarHBondContact O-N 3.36Å
50D95.4Very high96.5Very high59 Ų59101.5 Ų101.532%0.31651%0.509SS..Hα-helixtrans-65.4-36.5-176.8-85.7-5.5000112.1R40 R43 Q54R40-D50 WeakPolarHBondContact CD-OD2 3.47Å; R40-D50 WeakPolarHBondContact CG-OD2 3.36Å; R43-D50 IonicContact CZ-OD1 3.53Å; R43-D50 IonicContact NE-OD1 3.79Å; R43-D50 PolarHBondContact NE-OD1 3.11Å; R43-D50 VanDerWaalsContact NH2-CG 3.3Å; R43-D50 IonicContact NH2-OD1 3.76Å; R43-D50 PolarHBondContact NH2-OD1 3.23Å; R43-D50 IonicContact NH2-OD2 2.75Å; R43-D50 PolarHBondContact NH2-OD2 3.45Å; D50-Q54 WeakPolarHBondContact O-CB 3.5Å; D50-Q54 PolarHBondContact O-N 3.37Å
51Q96.4Very high96.3Very high133 Ų133100 Ų10062%0.62152%0.521SS*.Hα-helixtrans-74-40.9179-169.1169.528.800111D49 Q54 N55D49-Q51 VanDerWaalsContact C-N 3.34Å; D49-Q51 PolarHBondContact O-N 3.21Å; D49-Q51 WeakPolarHBondContact OD1-CA 3.37Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.36Å; D49-Q51 PolarHBondContact OD1-N 2.92Å; Q51-Q54 PolarHBondContact O-N 2.8Å; Q51-N55 WeakPolarHBondContact O-CB 3.41Å; Q51-N55 VanDerWaalsContact O-CG 3.26Å; Q51-N55 PolarHBondContact O-N 3.35Å; Q51-N55 PolarHBondContact O-ND2 2.73Å
52D96.2Very high96Very high99 Ų99103.4 Ų103.453%0.52955%0.546SS..Hα-helixtrans-64.2-40.8174-75.2-19.8000111.8D49 N55 S56D49-D52 HydrophobicContact CB-CB 4.13Å; D49-D52 PolarHBondContact O-N 3.23Å; D49-D52 PolarHBondContact OD1-N 2.92Å; D49-D52 VanDerWaalsContact OD1-N 3.12Å; D52-N55 PolarHBondContact O-N 3.29Å; D52-S56 VanDerWaalsContact O-CB 3.28Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.45Å; D52-S56 PolarHBondContact O-OG 2.71Å
53Y97Very high95.8Very high104 Ų104108.3 Ų108.341%0.40857%0.571SS.*Hα-helixtrans-59.3-50.8173.8178.9-102.1000111R43 I48 D49 N55 S56 V57R43-Y53 VanDerWaalsContact NH1-CE1 3.3Å; I48-Y53 HydrophobicContact CG2-CD2 4.3Å; I48-Y53 HydrophobicContact CG2-CG 4.48Å; D49-Y53 WeakPolarHBondContact O-CB 3.28Å; D49-Y53 PolarHBondContact O-N 3.36Å; Y53-N55 PolarHBondContact O-N 2.88Å; Y53-S56 PolarHBondContact O-N 2.87Å; Y53-V57 HydrophobicContact CD2-CG1 4.43Å; Y53-V57 HydrophobicContact CE1-CG2 4.39Å; Y53-V57 HydrophobicContact CE2-CG1 4.05Å; Y53-V57 WeakPolarHBondContact O-CG2 3.28Å; Y53-V57 PolarHBondContact O-N 3.01Å; Y53-V57 VanDerWaalsContact O-N 3.11Å
54Q96.7Very high95.2Very high115 Ų115113 Ų11354%0.53760%0.6SS.*Hα-helixtrans-56.5-51.2178.3-179.5-177.9-23.400111D50 Q51 S56 V57 T58D50-Q54 WeakPolarHBondContact O-CB 3.5Å; D50-Q54 PolarHBondContact O-N 3.37Å; Q51-Q54 PolarHBondContact O-N 2.8Å; Q54-S56 VanDerWaalsContact C-N 3.3Å; Q54-S56 PolarHBondContact O-N 3.3Å; Q54-V57 WeakPolarHBondContact O-CG2 2.94Å; Q54-V57 PolarHBondContact O-N 3.12Å; Q54-T58 PolarHBondContact O-N 3.4Å; Q54-T58 PolarHBondContact O-OG1 2.97Å
55N97Very high94.6Very high71 Ų71110.6 Ų110.638%0.3860%0.598SS.*Hα-helixtrans-60.2-41.7179.6-72.7-29.8000111.7Q51 D52 Y53 V57 R59Q51-N55 WeakPolarHBondContact O-CB 3.41Å; Q51-N55 VanDerWaalsContact O-CG 3.26Å; Q51-N55 PolarHBondContact O-N 3.35Å; Q51-N55 PolarHBondContact O-ND2 2.73Å; D52-N55 PolarHBondContact O-N 3.29Å; Y53-N55 PolarHBondContact O-N 2.88Å; N55-V57 VanDerWaalsContact C-N 3.28Å; N55-V57 PolarHBondContact O-N 3.21Å; N55-R59 WeakPolarHBondContact O-CB 3.43Å; N55-R59 PolarHBondContact O-N 2.8Å
56S95.6Very high93.8Very high94 Ų94109.5 Ų109.566%0.65761%0.606SS**Hα-helixtrans-64.4-32.4-179.3-59.40000112.8D52 Y53 Q54D52-S56 VanDerWaalsContact O-CB 3.28Å; D52-S56 WeakPolarHBondContact O-CB 3.25Å; D52-S56 PolarHBondContact O-N 3.45Å; D52-S56 PolarHBondContact O-OG 2.71Å; Y53-S56 PolarHBondContact O-N 2.87Å; Q54-S56 VanDerWaalsContact C-N 3.3Å; Q54-S56 PolarHBondContact O-N 3.3Å
57V94.9Very high92.8Very high75 Ų75106 Ų10646%0.45560%0.6SS.*Hα-helixtrans-97.4-17.7-177.3-55.80000114.4Y53 Q54 N55Y53-V57 HydrophobicContact CD2-CG1 4.43Å; Y53-V57 HydrophobicContact CE1-CG2 4.39Å; Y53-V57 HydrophobicContact CE2-CG1 4.05Å; Y53-V57 WeakPolarHBondContact O-CG2 3.28Å; Y53-V57 PolarHBondContact O-N 3.01Å; Y53-V57 VanDerWaalsContact O-N 3.11Å; Q54-V57 WeakPolarHBondContact O-CG2 2.94Å; Q54-V57 PolarHBondContact O-N 3.12Å; N55-V57 VanDerWaalsContact C-N 3.28Å; N55-V57 PolarHBondContact O-N 3.21Å
58T95.2Very high91.1Very high95 Ų95112 Ų11258%0.58361%0.61SS**Hα-helixtrans-117-13.9-177.5690000115.1Q54 S60Q54-T58 PolarHBondContact O-N 3.4Å; Q54-T58 PolarHBondContact O-OG1 2.97Å; T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.47Å
59R95.5Very high89.2Confident221 Ų221111 Ų11183%0.83462%0.617SS**SBendtrans-67.9-28.5-178.6-176.2176.3-176.41762.1112.8N55N55-R59 WeakPolarHBondContact O-CB 3.43Å; N55-R59 PolarHBondContact O-N 2.8Å
60S94.4Very high87Confident85 Ų85119 Ų11959%0.59464%0.641SS**SBendtrans-146.2156.3174.4550000110.6T58T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.47Å
61A92.9Very high84.5Confident86 Ų86125.9 Ų125.971%0.71169%0.692SS**PPolyproline II helixtrans-60.7138.7174.300000110.5
62P91.2Very high83.9Confident110 Ų110125.5 Ų125.571%0.71470%0.695SS**PPolyproline II helixtrans-64.5147.2176.326.7-33.5000110.9
63I91.6Very high83.3Confident169 Ų169126.9 Ų126.987%0.86770%0.704SS**PPolyproline II helixtrans-88122.7175.3-56.6174000107.6S65I63-S65 PolarHBondContact O-N 3.11Å
64N86.6Confident82.5Confident150 Ų150128.2 Ų128.280%0.80272%0.72SS**PPolyproline II helixtrans-67.5129.7173.9-64.6-52.1000109.4
65S83.8Confident81.7Confident86 Ų86128.9 Ų128.960%0.60173%0.731SS**PPolyproline II helixtrans-99.3132.4171.6-176.60000109.1I63 S67I63-S65 PolarHBondContact O-N 3.11Å; S65-S67 PolarHBondContact O-N 3.22Å; S65-S67 PolarHBondContact OG-N 3.42Å; S65-S67 PolarHBondContact OG-OG 3.32Å
66D80.3Confident80.7Confident164 Ų164132.6 Ų132.688%0.87775%0.753SS**  trans-73-1174.2-64.4-34.3000113Q68D66-Q68 PolarHBondContact O-N 2.83Å
67S76.8Confident79.7Confident79 Ų79135.1 Ų135.155%0.55276%0.759SS**SBendtrans-59.9124171.356.40000108.8S65 G69S65-S67 PolarHBondContact O-N 3.22Å; S65-S67 PolarHBondContact OG-N 3.42Å; S65-S67 PolarHBondContact OG-OG 3.32Å; S67-G69 PolarHBondContact O-N 3.21Å
68Q61.3Low78.7Confident198 Ų198139.4 Ų139.493%0.92578%0.781SS**  trans-69.235.5178.1-67.4-178-500112.8D66 R70D66-Q68 PolarHBondContact O-N 2.83Å; Q68-R70 PolarHBondContact O-N 3.43Å
69G57.7Low77.4Confident53 Ų53142.8 Ų142.855%0.54680%0.796SS.*  trans-77.7103.7167.100000108.2S67 C71S67-G69 PolarHBondContact O-N 3.21Å; G69-C71 PolarHBondContact O-N 3.38Å
70R49.5Very low75.9Confident252 Ų252136.3 Ų136.395%0.95179%0.793SS**  trans-38.8109.3172.8-67175.1173.5177.1-2.5111.4Q68Q68-R70 PolarHBondContact O-N 3.43Å
71C44.5Very low74.2Confident204 Ų204141 Ų141100%1.37881%0.811SS**  trans-115.20155.6-71.40000107.4G69G69-C71 PolarHBondContact O-N 3.38Å

Retrieved 71 of 71 residues in 74.3 ms (Link to these results)