A0A087X2D0_HUMAN Loading...

Serine and arginine rich splicing factor 3

AlphaFold DB , UniProt , Accession A0A087X2D0, Species HUMAN (Homo sapiens, Human), Gene SRSF3, Length 95 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
1M38.4Very low52.4Low232 Ų232129.1 Ų129.1100%1.14366%0.663SS**  099.50-62.3-77.9172.900105.6R3M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.11Å
2H45.2Very low54.5Low191 Ų191118.3 Ų118.388%0.88461%0.608SS**  trans-64.394.8-173.5-66.592.8000108.9D4H2-D4 PolarHBondContact O-N 3.12Å
3R50.3Low56.3Low225 Ų225114.3 Ų114.385%0.84958%0.581SS**  trans-65.6122.3171-128.7165.3167.7150.1-7.4105.7M1M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.11Å
4D42.2Very low57.8Low124 Ų124106.1 Ų106.166%0.66354%0.54SS*.  trans77.956.1158.3-35.3-52.8000115.8H2 C6H2-D4 PolarHBondContact O-N 3.12Å; D4-C6 PolarHBondContact O-N 2.88Å
5S50.4Low59Low112 Ų11299.3 Ų99.378%0.78351%0.506SS*.  trans-67.991.2140-70.90000107P7S5-P7 WeakPolarHBondContact O-CD 3.17Å
6C47.5Very low59.5Low67 Ų6798.8 Ų98.845%0.45350%0.504SS..  trans-95.496.4164.7-67.10000107.8D4 L8 D9D4-C6 PolarHBondContact O-N 2.88Å; C6-L8 PolarHBondContact O-N 2.95Å; C6-D9 WeakPolarHBondContact CB-OD1 3.47Å
7P50.2Low60Low105 Ų10593.9 Ų93.968%0.68248%0.48SS*.  trans-87.824.2171.833.4-36.2000112.4S5S5-P7 WeakPolarHBondContact O-CD 3.17Å
8L49.1Very low60.2Low166 Ų16691.4 Ų91.487%0.86948%0.482SS*.SBendtrans-124.9-3.2-170.4-62.9173.2000114.1C6C6-L8 PolarHBondContact O-N 2.95Å
9D58.3Low60.3Low72 Ų7296.2 Ų96.239%0.38551%0.508SS..  trans-1131.8-167.465.3-75.8000116C6 K11 P56C6-D9 WeakPolarHBondContact CB-OD1 3.47Å; D9-K11 PolarHBondContact O-N 3.37Å; D9-P56 WeakPolarHBondContact OD2-CB 3.12Å
10C69.4Low60.4Low15 Ų1597.1 Ų97.110%0.10151%0.513CS..  trans-71.82.7179.9-46.70000114.7E52 F53C10-E52 CarbonylContact O-C 3.48Å; C10-E52 VanDerWaalsContact O-CA 3.3Å; C10-E52 WeakPolarHBondContact O-CA 3.31Å; C10-F53 HydrophobicContact CB-CB 4.16Å; C10-F53 WeakPolarHBondContact CB-O 2.95Å; C10-F53 PolarHBondContact O-N 3.13Å
11K75.1Confident60.7Low111 Ų11193.7 Ų93.748%0.48350%0.501SS..EExtended strand (participates in β ladder)trans-96.4109.4-177.1-179.6164-78.6145.60111.2D9 F50 V51 E52D9-K11 PolarHBondContact O-N 3.37Å; K11-F50 HydrophobicContact CD-CD1 4.16Å; K11-F50 HydrophobicContact CG-CD1 4.22Å; K11-V51 CarbonylContact C-O 3.53Å; K11-V51 WeakPolarHBondContact CA-O 3.33Å; K11-E52 WeakPolarHBondContact CE-OE2 3.25Å; K11-E52 IonicContact NZ-OE2 2.79Å; K11-E52 PolarHBondContact NZ-OE2 3.42Å
12V77.8Confident62.4Low0 Ų085.9 Ų85.90%046%0.464CS..EExtended strand (participates in β ladder)trans-93.6126.4175.2-1770000109.9V14 F30 F50 V51 F53 A59 V63 A78V12-V14 HydrophobicContact CG1-CG2 4.25Å; V12-F30 HydrophobicContact CB-CE1 4.44Å; V12-F30 HydrophobicContact CG1-CE1 3.92Å; V12-F30 HydrophobicContact CG1-CZ 4.35Å; V12-F50 CarbonylContact O-C 3.58Å; V12-F50 WeakPolarHBondContact O-CA 3.48Å; V12-V51 HydrophobicContact CB-CB 4.37Å; V12-V51 PolarHBondContact N-O 3.47Å; V12-V51 PolarHBondContact O-N 3.43Å; V12-F53 HydrophobicContact CG2-CD2 4.05Å; V12-F53 HydrophobicContact CG2-CE2 3.98Å; V12-A59 HydrophobicContact CG2-CB 4.07Å; V12-V63 HydrophobicContact CB-CG2 4.1Å; V12-V63 HydrophobicContact CG1-CG2 3.46Å; V12-V63 VanDerWaalsContact CG1-CG2 3.46Å; V12-V63 HydrophobicContact CG2-CG2 3.53Å; V12-A78 HydrophobicContact CG1-CB 4.35Å
13Y77.6Confident64.3Low66 Ų6681 Ų8126%0.25944%0.44SS..EExtended strand (participates in β ladder)trans-86.3137.4169.1172.5-105.1000110F48 F50 L77 A78Y13-F48 HydrophobicContact CE1-CD1 4.49Å; Y13-F48 AromaticContact CE2-CD1 3.78Å; Y13-F48 HydrophobicContact CE2-CD1 3.78Å; Y13-F48 AromaticContact CZ-CD1 3.48Å; Y13-F48 VanDerWaalsContact CZ-CD1 3.48Å; Y13-F48 AromaticContact CZ-CE1 3.88Å; Y13-F48 WeakPolarHBondContact OH-CD1 3.46Å; Y13-F48 WeakPolarHBondContact OH-CE1 3.26Å; Y13-F50 HydrophobicContact CD2-CD1 4.09Å; Y13-F50 HydrophobicContact CD2-CD2 4.48Å; Y13-F50 AromaticContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE1 3.52Å; Y13-F50 AromaticContact CD2-CE2 3.98Å; Y13-F50 HydrophobicContact CD2-CE2 3.98Å; Y13-F50 AromaticContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CD2-CZ 3.47Å; Y13-F50 VanDerWaalsContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CE2-CE1 4.33Å; Y13-F50 HydrophobicContact CE2-CE2 4.19Å; Y13-F50 AromaticContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CG-CE1 4.35Å; Y13-L77 VanDerWaalsContact CD1-O 3.31Å; Y13-L77 WeakPolarHBondContact CD1-O 3.44Å; Y13-A78 VanDerWaalsContact O-CA 3.31Å; Y13-A78 WeakPolarHBondContact O-CA 3.33Å
14V77.4Confident65.9Low0 Ų073.9 Ų73.90%042%0.422CS..EExtended strand (participates in β ladder)trans-128.298.9-179.3-164.50000108V12 L17 L26 F30 F48 A49 V51 I76V12-V14 HydrophobicContact CG1-CG2 4.25Å; V14-L17 HydrophobicContact CB-CD1 4.19Å; V14-L17 HydrophobicContact CG1-CD1 3.88Å; V14-L17 HydrophobicContact CG1-CD2 3.83Å; V14-L17 HydrophobicContact CG1-CG 3.77Å; V14-L26 HydrophobicContact CB-CD2 4.45Å; V14-L26 HydrophobicContact CG1-CD1 4.2Å; V14-L26 HydrophobicContact CG2-CD2 4.19Å; V14-F30 HydrophobicContact CG1-CE2 4.46Å; V14-F30 HydrophobicContact CG1-CZ 4.39Å; V14-F30 HydrophobicContact CG2-CE1 4.39Å; V14-F30 HydrophobicContact CG2-CE2 3.85Å; V14-F30 HydrophobicContact CG2-CZ 3.47Å; V14-F30 VanDerWaalsContact CG2-CZ 3.47Å; V14-F48 CarbonylContact O-C 3.55Å; V14-F48 WeakPolarHBondContact O-CA 3.48Å; V14-A49 HydrophobicContact CB-CB 4.34Å; V14-A49 PolarHBondContact N-O 3.24Å; V14-A49 PolarHBondContact O-N 2.97Å; V14-V51 HydrophobicContact CG2-CG2 4.05Å; V14-I76 HydrophobicContact CB-CG2 4.47Å; V14-I76 HydrophobicContact CG1-CD1 4.47Å; V14-I76 HydrophobicContact CG1-CG2 3.36Å
15G75.4Confident67.9Low3 Ų372.4 Ų72.43%0.03141%0.411CS..  trans-93.5166.8173.700000112.4L17 G47 I76G15-L17 PolarHBondContact O-N 3.06Å; G15-L17 VanDerWaalsContact O-N 3.13Å; G15-G47 CarbonylContact C-O 3.55Å; G15-I76 WeakPolarHBondContact O-CA 3.35Å
16N68.3Low69.4Low91 Ų9167.3 Ų67.349%0.48738%0.375SS..  trans57.227.9174.1-152.514.8000115G18 G47 V75N16-G18 VanDerWaalsContact C-N 3.29Å; N16-G18 PolarHBondContact O-N 2.94Å; N16-G47 PolarHBondContact N-O 3.3Å; N16-V75 WeakPolarHBondContact CB-O 3.42Å; N16-V75 PolarHBondContact ND2-N 3.44Å; N16-V75 PolarHBondContact ND2-O 3.28Å; N16-V75 VanDerWaalsContact ND2-O 3.13Å
17L68.1Low71.3Confident16 Ų1667.6 Ų67.68%0.08437%0.369CS..  trans-6199.8158.9-73.8174000105.6V14 G15 L26 G47 A49 I76V14-L17 HydrophobicContact CB-CD1 4.19Å; V14-L17 HydrophobicContact CG1-CD1 3.88Å; V14-L17 HydrophobicContact CG1-CD2 3.83Å; V14-L17 HydrophobicContact CG1-CG 3.77Å; G15-L17 PolarHBondContact O-N 3.06Å; G15-L17 VanDerWaalsContact O-N 3.13Å; L17-L26 HydrophobicContact CD1-CD1 3.72Å; L17-L26 HydrophobicContact CD1-CD2 4.24Å; L17-L26 HydrophobicContact CD2-CD1 3.62Å; L17-L26 HydrophobicContact CG-CD1 4.31Å; L17-G47 PolarHBondContact N-O 3.43Å; L17-G47 VanDerWaalsContact O-CA 3.22Å; L17-G47 WeakPolarHBondContact O-CA 3.48Å; L17-A49 HydrophobicContact CD1-CB 3.42Å; L17-A49 VanDerWaalsContact CD1-CB 3.42Å; L17-I76 HydrophobicContact CD2-CD1 4.06Å
18G62.2Low72.9Confident50 Ų5071.4 Ų71.452%0.51537%0.37SS..  trans-56.1-170.2178.600000111.9N16 N20 G21N16-G18 VanDerWaalsContact C-N 3.29Å; N16-G18 PolarHBondContact O-N 2.94Å; G18-N20 PolarHBondContact O-N 3.47Å; G18-G21 PolarHBondContact O-N 3.43Å
19N62Low74.5Confident182 Ų18265.4 Ų65.497%0.97335%0.345SS*.THydrogen-bonded Turntrans-59.3-6.5-175.4-149.494.8000115.2
20N62.4Low75.7Confident114 Ų11462.2 Ų62.261%0.6133%0.327SS*.THydrogen-bonded Turntrans-100.8-13.6176.9-155.366.9000114.6G18 N22 E25G18-N20 PolarHBondContact O-N 3.47Å; N20-N22 PolarHBondContact O-N 2.88Å; N20-N22 VanDerWaalsContact O-N 3.1Å; N20-N22 PolarHBondContact O-ND2 3.46Å; N20-E25 PolarHBondContact ND2-OE1 2.94Å
21G66.6Low76.4Confident26 Ų2663.3 Ų63.327%0.26834%0.341SS..  trans-74.1108.4-174.400000111.6G18G18-G21 PolarHBondContact O-N 3.43Å
22N75.5Confident76.9Confident67 Ų6767.4 Ų67.436%0.35836%0.355SS..  trans-124.6164.8-177.958.866000110.5N20 T24 E25 L26N20-N22 PolarHBondContact O-N 2.88Å; N20-N22 VanDerWaalsContact O-N 3.1Å; N20-N22 PolarHBondContact O-ND2 3.46Å; N22-T24 PolarHBondContact O-N 2.98Å; N22-T24 WeakPolarHBondContact OD1-CB 3.47Å; N22-T24 PolarHBondContact OD1-N 3.41Å; N22-E25 PolarHBondContact O-N 3.14Å; N22-E25 PolarHBondContact OD1-N 2.98Å; N22-L26 PolarHBondContact O-N 3.39Å; N22-L26 VanDerWaalsContact O-N 3.13Å
23K83.7Confident77.3Confident90 Ų9070 Ų7039%0.39137%0.365SS..Hα-helixtrans-54.2-40.4-177.5177.1173.1176.7-76.20111.5L26 E27 V39 V41K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 3.38Å; K23-E27 HydrophobicContact CG-CG 4.3Å; K23-E27 WeakPolarHBondContact CG-OE2 3.48Å; K23-E27 IonicContact NZ-OE1 2.68Å; K23-E27 PolarHBondContact NZ-OE1 2.83Å; K23-E27 IonicContact NZ-OE2 2.7Å; K23-E27 PolarHBondContact NZ-OE2 3.09Å; K23-E27 WeakPolarHBondContact O-CB 3.24Å; K23-E27 WeakPolarHBondContact O-CG 3.48Å; K23-E27 PolarHBondContact O-N 2.79Å; K23-V39 WeakPolarHBondContact CE-O 3.19Å; K23-V39 HydrophobicContact CG-CB 4.12Å; K23-V39 HydrophobicContact CG-CG1 3.8Å; K23-V41 HydrophobicContact CB-CG2 3.64Å; K23-V41 HydrophobicContact CG-CG2 4.45Å
24T85.6Confident77.6Confident75 Ų7567.3 Ų67.346%0.4636%0.358SS..Hα-helixtrans-64.3-42.8-178.1-49.80000112.2N22 L26 E27 R28N22-T24 PolarHBondContact O-N 2.98Å; N22-T24 WeakPolarHBondContact OD1-CB 3.47Å; N22-T24 PolarHBondContact OD1-N 3.41Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-E27 PolarHBondContact O-N 3.26Å; T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 VanDerWaalsContact O-CG 3.25Å; T24-R28 WeakPolarHBondContact O-CG 2.98Å; T24-R28 PolarHBondContact O-N 2.98Å
25E82.8Confident78.1Confident92 Ų9270.5 Ų70.543%0.4338%0.379SS..Hα-helixtrans-62.2-45.1175.2-165.993.494.200110.4N20 N22 R28 A29N20-E25 PolarHBondContact ND2-OE1 2.94Å; N22-E25 PolarHBondContact O-N 3.14Å; N22-E25 PolarHBondContact OD1-N 2.98Å; E25-R28 PolarHBondContact O-N 3.43Å; E25-A29 VanDerWaalsContact O-CB 3.26Å; E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 2.74Å
26L83.1Confident78.6Confident5 Ų572.4 Ų72.43%0.02639%0.388CS..Hα-helixtrans-61-47.4176.1-118.964.7000111.9V14 L17 N22 K23 T24 R28 A29 F30 V39 A49 V51V14-L26 HydrophobicContact CB-CD2 4.45Å; V14-L26 HydrophobicContact CG1-CD1 4.2Å; V14-L26 HydrophobicContact CG2-CD2 4.19Å; L17-L26 HydrophobicContact CD1-CD1 3.72Å; L17-L26 HydrophobicContact CD1-CD2 4.24Å; L17-L26 HydrophobicContact CD2-CD1 3.62Å; L17-L26 HydrophobicContact CG-CD1 4.31Å; N22-L26 PolarHBondContact O-N 3.39Å; N22-L26 VanDerWaalsContact O-N 3.13Å; K23-L26 WeakPolarHBondContact O-CB 3.3Å; K23-L26 PolarHBondContact O-N 3.38Å; T24-L26 VanDerWaalsContact C-N 3.34Å; L26-R28 VanDerWaalsContact C-N 3.25Å; L26-R28 PolarHBondContact O-N 3.46Å; L26-A29 PolarHBondContact O-N 3.41Å; L26-F30 HydrophobicContact CB-CD2 4.3Å; L26-F30 HydrophobicContact CD1-CD2 4.32Å; L26-F30 HydrophobicContact CD1-CE2 3.89Å; L26-F30 HydrophobicContact CD2-CE2 4.49Å; L26-F30 HydrophobicContact CG-CD2 3.72Å; L26-F30 HydrophobicContact CG-CE2 3.64Å; L26-F30 VanDerWaalsContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CB 3.01Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 PolarHBondContact O-N 3.29Å; L26-V39 HydrophobicContact CB-CG1 3.97Å; L26-V39 HydrophobicContact CD2-CG1 3.95Å; L26-A49 HydrophobicContact CD2-CB 3.26Å; L26-V51 HydrophobicContact CB-CG2 4.37Å; L26-V51 HydrophobicContact CD2-CG2 3.33Å; L26-V51 HydrophobicContact CG-CG2 3.69Å
27E86.4Confident79.6Confident74 Ų7476.1 Ų76.135%0.34640%0.395SS..Hα-helixtrans-61-36.9178.1-80.4178.1130.100112.2K23 T24 G31 L36 V39K23-E27 HydrophobicContact CG-CG 4.3Å; K23-E27 WeakPolarHBondContact CG-OE2 3.48Å; K23-E27 IonicContact NZ-OE1 2.68Å; K23-E27 PolarHBondContact NZ-OE1 2.83Å; K23-E27 IonicContact NZ-OE2 2.7Å; K23-E27 PolarHBondContact NZ-OE2 3.09Å; K23-E27 WeakPolarHBondContact O-CB 3.24Å; K23-E27 WeakPolarHBondContact O-CG 3.48Å; K23-E27 PolarHBondContact O-N 2.79Å; T24-E27 PolarHBondContact O-N 3.26Å; E27-G31 WeakPolarHBondContact O-CA 3.46Å; E27-G31 PolarHBondContact O-N 3.46Å; E27-L36 HydrophobicContact CB-CD1 4.22Å; E27-L36 HydrophobicContact CG-CD1 4.14Å; E27-L36 WeakPolarHBondContact O-CD1 3.14Å; E27-V39 HydrophobicContact CG-CB 3.97Å; E27-V39 HydrophobicContact CG-CG1 4.37Å; E27-V39 HydrophobicContact CG-CG2 3.54Å
28R84.9Confident80.3Confident184 Ų18478.7 Ų78.769%0.69441%0.414SS*.Hα-helixtrans-73.8-44.8177.3-71.5172.2-176.8-95.91.2112.2T24 E25 L26 Y32T24-R28 WeakPolarHBondContact O-CB 3.42Å; T24-R28 VanDerWaalsContact O-CG 3.25Å; T24-R28 WeakPolarHBondContact O-CG 2.98Å; T24-R28 PolarHBondContact O-N 2.98Å; E25-R28 PolarHBondContact O-N 3.43Å; L26-R28 VanDerWaalsContact C-N 3.25Å; L26-R28 PolarHBondContact O-N 3.46Å; R28-Y32 PolarHBondContact O-N 3Å
29A81.3Confident81.5Confident41 Ų4176.9 Ų76.934%0.33939%0.393SS..Hα-helixtrans-68.1-50.7-178.500000111.1E25 L26 Y32 Y33E25-A29 VanDerWaalsContact O-CB 3.26Å; E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 2.74Å; L26-A29 PolarHBondContact O-N 3.41Å; A29-Y32 WeakPolarHBondContact O-CB 3.23Å; A29-Y33 VanDerWaalsContact O-CD2 3.23Å; A29-Y33 WeakPolarHBondContact O-CD2 3.17Å; A29-Y33 WeakPolarHBondContact O-CE2 3.2Å
30F83.8Confident82.7Confident4 Ų475.7 Ų75.72%0.01838%0.375CS..Hα-helixtrans-76.9-32.3-179.7-70.8-92000112V12 V14 L26 Y32 Y33 G34 L36 V51 F53 A62 L66V12-F30 HydrophobicContact CB-CE1 4.44Å; V12-F30 HydrophobicContact CG1-CE1 3.92Å; V12-F30 HydrophobicContact CG1-CZ 4.35Å; V14-F30 HydrophobicContact CG1-CE2 4.46Å; V14-F30 HydrophobicContact CG1-CZ 4.39Å; V14-F30 HydrophobicContact CG2-CE1 4.39Å; V14-F30 HydrophobicContact CG2-CE2 3.85Å; V14-F30 HydrophobicContact CG2-CZ 3.47Å; V14-F30 VanDerWaalsContact CG2-CZ 3.47Å; L26-F30 HydrophobicContact CB-CD2 4.3Å; L26-F30 HydrophobicContact CD1-CD2 4.32Å; L26-F30 HydrophobicContact CD1-CE2 3.89Å; L26-F30 HydrophobicContact CD2-CE2 4.49Å; L26-F30 HydrophobicContact CG-CD2 3.72Å; L26-F30 HydrophobicContact CG-CE2 3.64Å; L26-F30 VanDerWaalsContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CB 3.01Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.34Å; L26-F30 PolarHBondContact O-N 3.29Å; F30-Y32 PolarHBondContact O-N 3.02Å; F30-Y33 PolarHBondContact O-N 2.96Å; F30-G34 PolarHBondContact O-N 3.18Å; F30-L36 HydrophobicContact CB-CD1 4.03Å; F30-L36 HydrophobicContact CB-CD2 3.62Å; F30-L36 HydrophobicContact CB-CG 4.45Å; F30-V51 HydrophobicContact CB-CG1 3.86Å; F30-V51 HydrophobicContact CD1-CB 4.34Å; F30-V51 HydrophobicContact CD1-CG1 4.03Å; F30-V51 HydrophobicContact CD1-CG2 4.37Å; F30-V51 HydrophobicContact CD2-CG1 4.5Å; F30-V51 HydrophobicContact CD2-CG2 3.8Å; F30-V51 HydrophobicContact CE1-CG2 4.49Å; F30-V51 HydrophobicContact CE2-CG2 3.95Å; F30-V51 HydrophobicContact CG-CB 4.33Å; F30-V51 HydrophobicContact CG-CG1 3.88Å; F30-V51 HydrophobicContact CG-CG2 4Å; F30-V51 HydrophobicContact CZ-CG2 4.28Å; F30-F53 HydrophobicContact CB-CE1 4.48Å; F30-F53 HydrophobicContact CB-CE2 4.24Å; F30-F53 HydrophobicContact CB-CZ 3.69Å; F30-F53 AromaticContact CD1-CE2 3.59Å; F30-F53 HydrophobicContact CD1-CE2 3.59Å; F30-F53 AromaticContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CE1-CE2 4.4Å; F30-F53 HydrophobicContact CG-CE2 4.34Å; F30-F53 HydrophobicContact CG-CZ 4.14Å; F30-F53 WeakPolarHBondContact O-CE1 3.26Å; F30-A62 HydrophobicContact CD1-CB 3.99Å; F30-A62 HydrophobicContact CE1-CB 4.37Å; F30-L66 HydrophobicContact CD1-CD1 3.81Å; F30-L66 HydrophobicContact CD2-CD1 4.39Å; F30-L66 HydrophobicContact CE1-CD1 3.24Å; F30-L66 HydrophobicContact CE2-CD1 3.89Å; F30-L66 HydrophobicContact CG-CD1 4.39Å; F30-L66 HydrophobicContact CZ-CD1 3.3Å
31G85Confident83.7Confident38 Ų3871.9 Ų71.939%0.39236%0.356SS..Hα-helixtrans-68.2-13.5177.100000114E27 Y33 G34E27-G31 WeakPolarHBondContact O-CA 3.46Å; E27-G31 PolarHBondContact O-N 3.46Å; G31-Y33 VanDerWaalsContact C-N 3.35Å; G31-G34 WeakPolarHBondContact CA-O 3.36Å
32Y85.9Confident84.3Confident197 Ų19771.1 Ų71.177%0.77335%0.347SS*.THydrogen-bonded Turntrans-68.8-33.9169.5-178.7-100.3000112.3R28 A29 F30R28-Y32 PolarHBondContact O-N 3Å; A29-Y32 WeakPolarHBondContact O-CB 3.23Å; F30-Y32 PolarHBondContact O-N 3.02Å
33Y84.3Confident84.1Confident54 Ų5478.5 Ų78.521%0.21237%0.37CS..THydrogen-bonded Turntrans-81.5-35.9-178.7-59.5-85.7000112.1A29 F30 G31 A62 E65 L66A29-Y33 VanDerWaalsContact O-CD2 3.23Å; A29-Y33 WeakPolarHBondContact O-CD2 3.17Å; A29-Y33 WeakPolarHBondContact O-CE2 3.2Å; F30-Y33 PolarHBondContact O-N 2.96Å; G31-Y33 VanDerWaalsContact C-N 3.35Å; Y33-A62 HydrophobicContact CD1-CB 4.23Å; Y33-A62 HydrophobicContact CD2-CB 3.7Å; Y33-A62 HydrophobicContact CE2-CB 4.23Å; Y33-A62 HydrophobicContact CG-CB 3.69Å; Y33-E65 HydrophobicContact CE1-CB 3.64Å; Y33-E65 HydrophobicContact CE1-CG 3.82Å; Y33-E65 WeakPolarHBondContact OH-CB 2.88Å; Y33-E65 VanDerWaalsContact OH-CG 3.25Å; Y33-E65 WeakPolarHBondContact OH-CG 3.29Å; Y33-L66 HydrophobicContact CE2-CD1 4.28Å; Y33-L66 HydrophobicContact CE2-CG 4.43Å
34G85.6Confident83.3Confident11 Ų1181.2 Ų81.211%0.11339%0.389CS..SBendtrans-178.5172.4-179.200000114F30 G31 L36F30-G34 PolarHBondContact O-N 3.18Å; G31-G34 WeakPolarHBondContact CA-O 3.36Å; G34-L36 PolarHBondContact O-N 3.05Å
35P86.6Confident82.4Confident67 Ų6781.3 Ų81.344%0.43539%0.391SS..  trans-60.4125.5176.423.3-30.7000111.2E54P35-E54 HydrophobicContact CB-CB 4.25Å; P35-E54 HydrophobicContact CG-CB 4.02Å; P35-E54 PolarHBondContact O-N 2.77Å
36L87.5Confident81.7Confident42 Ų4282 Ų8222%0.2240%0.403CS..EExtended strand (participates in β ladder)trans-89.1123.9177.9-54.2176.9000109.5E27 F30 G34 V39 V51 E52 F53E27-L36 HydrophobicContact CB-CD1 4.22Å; E27-L36 HydrophobicContact CG-CD1 4.14Å; E27-L36 WeakPolarHBondContact O-CD1 3.14Å; F30-L36 HydrophobicContact CB-CD1 4.03Å; F30-L36 HydrophobicContact CB-CD2 3.62Å; F30-L36 HydrophobicContact CB-CG 4.45Å; G34-L36 PolarHBondContact O-N 3.05Å; L36-V39 HydrophobicContact CB-CG2 4.33Å; L36-V39 HydrophobicContact CD1-CG2 3.82Å; L36-V51 HydrophobicContact CD2-CG1 3.65Å; L36-E52 CarbonylContact C-O 3.51Å; L36-F53 HydrophobicContact CD2-CD1 3.66Å; L36-F53 HydrophobicContact CD2-CD2 4.29Å; L36-F53 HydrophobicContact CD2-CE1 3.37Å; L36-F53 HydrophobicContact CD2-CE2 4.05Å; L36-F53 HydrophobicContact CD2-CG 4.12Å; L36-F53 HydrophobicContact CD2-CZ 3.6Å
37R87.7Confident81.2Confident170 Ų17082.9 Ų82.964%0.64241%0.413SS*.EExtended strand (participates in β ladder)trans-71.5-44.8173.8-179.6171.7175.4-176.8-0.5111.5E52R37-E52 WeakPolarHBondContact CA-O 3.34Å; R37-E52 HydrophobicContact CB-CB 4.34Å; R37-E52 HydrophobicContact CB-CG 4.28Å; R37-E52 WeakPolarHBondContact CB-O 3.4Å; R37-E52 WeakPolarHBondContact CD-OE1 3.3Å; R37-E52 HydrophobicContact CG-CG 4.48Å; R37-E52 IonicContact CZ-OE1 3.59Å; R37-E52 PolarHBondContact N-O 2.98Å; R37-E52 IonicContact NE-OE1 3.2Å; R37-E52 PolarHBondContact NE-OE1 3.16Å; R37-E52 IonicContact NH1-OE1 3.9Å
38S84.2Confident80.9Confident69 Ų6981.9 Ų81.948%0.48341%0.408SS..EExtended strand (participates in β ladder)trans-160.7145.8177.9-1550000112.4E52S38-E52 PolarHBondContact N-O 3.08Å; S38-E52 PolarHBondContact O-N 3.05Å
39V87.4Confident80.9Confident13 Ų1373.1 Ų73.18%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-126.4120.3174.4-177.40000109.6K23 L26 E27 L36 V51K23-V39 WeakPolarHBondContact CE-O 3.19Å; K23-V39 HydrophobicContact CG-CB 4.12Å; K23-V39 HydrophobicContact CG-CG1 3.8Å; L26-V39 HydrophobicContact CB-CG1 3.97Å; L26-V39 HydrophobicContact CD2-CG1 3.95Å; E27-V39 HydrophobicContact CG-CB 3.97Å; E27-V39 HydrophobicContact CG-CG1 4.37Å; E27-V39 HydrophobicContact CG-CG2 3.54Å; L36-V39 HydrophobicContact CB-CG2 4.33Å; L36-V39 HydrophobicContact CD1-CG2 3.82Å; V39-V51 HydrophobicContact CG1-CG2 4.27Å; V39-V51 HydrophobicContact CG2-CG1 4.3Å; V39-V51 HydrophobicContact CG2-CG2 4.45Å
40W86Confident81Confident157 Ų15774.4 Ų74.460%0.59537%0.373SS*.EExtended strand (participates in β ladder)trans-120.1123-179.9-17284.5000110.3A42 A49 F50W40-A42 HydrophobicContact CE3-CB 4.1Å; W40-A42 HydrophobicContact CH2-CB 3.54Å; W40-A42 HydrophobicContact CZ3-CB 3.23Å; W40-A49 CarbonylContact O-C 3.42Å; W40-A49 VanDerWaalsContact O-CA 3.29Å; W40-A49 WeakPolarHBondContact O-CA 2.91Å; W40-F50 AromaticContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CE2 4.2Å; W40-F50 HydrophobicContact CE3-CG 4.4Å; W40-F50 AromaticContact CZ3-CD2 3.76Å; W40-F50 HydrophobicContact CZ3-CD2 3.76Å; W40-F50 AromaticContact CZ3-CE2 3.91Å; W40-F50 HydrophobicContact CZ3-CE2 3.91Å; W40-F50 PolarHBondContact N-O 3.12Å; W40-F50 PolarHBondContact O-N 3.36Å
41V84.4Confident81.1Confident34 Ų3474.2 Ų74.221%0.20637%0.372CS..EExtended strand (participates in β ladder)trans-105.9117178.4-179.50000108.8K23 A49K23-V41 HydrophobicContact CB-CG2 3.64Å; K23-V41 HydrophobicContact CG-CG2 4.45Å; V41-A49 HydrophobicContact CB-CB 4.34Å; V41-A49 HydrophobicContact CG1-CB 4.39Å; V41-A49 HydrophobicContact CG2-CB 3.97Å
42A78.8Confident81.1Confident9 Ų974.2 Ų74.27%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-74.4134.6174.300000109.5W40 F48W40-A42 HydrophobicContact CE3-CB 4.1Å; W40-A42 HydrophobicContact CH2-CB 3.54Å; W40-A42 HydrophobicContact CZ3-CB 3.23Å; A42-F48 WeakPolarHBondContact CA-O 3.43Å; A42-F48 HydrophobicContact CB-CB 3.85Å; A42-F48 WeakPolarHBondContact CB-O 3.44Å; A42-F48 PolarHBondContact N-O 3.2Å; A42-F48 VanDerWaalsContact O-O 3.07Å
43R71.8Confident81.2Confident222 Ų22264.8 Ų64.884%0.83833%0.325SS*.THydrogen-bonded Turntrans-108-7.1175.1-59.9-175.7-170.5-151.41.8112.9P45R43-P45 CarbonylContact C-O 3.54Å
44N66.3Low81.2Confident148 Ų14868.3 Ų68.379%0.79134%0.343SS*.THydrogen-bonded Turntrans-146.3103.3179.3-170.664.2000110.6
45P67.3Low81Confident77 Ų7770 Ų7050%0.535%0.349SS..THydrogen-bonded Turncis-67.1158.6-1.725.5-31.7000113R43 F48R43-P45 CarbonylContact C-O 3.54Å; P45-F48 HydrophobicContact CB-CD2 4.04Å; P45-F48 HydrophobicContact CB-CE2 3.66Å; P45-F48 HydrophobicContact CG-CD2 3.64Å; P45-F48 HydrophobicContact CG-CE2 3.4Å; P45-F48 HydrophobicContact CG-CZ 4.26Å; P45-F48 WeakPolarHBondContact O-CD2 3.31Å
46P66.4Low80.4Confident105 Ų10568.6 Ų68.668%0.68234%0.341SS*.THydrogen-bonded Turntrans-74.7146.2-179.929-33.9000111.9F48P46-F48 WeakPolarHBondContact O-CD2 3.23Å; P46-F48 WeakPolarHBondContact O-CE2 3.33Å
47G73.3Confident80.1Confident24 Ų2474.6 Ų74.625%0.24736%0.36CS..SBendtrans91.822.3175.400000115.3G15 N16 L17G15-G47 CarbonylContact C-O 3.55Å; N16-G47 PolarHBondContact N-O 3.3Å; L17-G47 PolarHBondContact N-O 3.43Å; L17-G47 VanDerWaalsContact O-CA 3.22Å; L17-G47 WeakPolarHBondContact O-CA 3.48Å
48F80.3Confident79.9Confident54 Ų5468.3 Ų68.324%0.23734%0.34CS..EExtended strand (participates in β ladder)trans-122.5144.7177.9-59.5-81.2000111.2Y13 V14 A42 P45 P46Y13-F48 HydrophobicContact CE1-CD1 4.49Å; Y13-F48 AromaticContact CE2-CD1 3.78Å; Y13-F48 HydrophobicContact CE2-CD1 3.78Å; Y13-F48 AromaticContact CZ-CD1 3.48Å; Y13-F48 VanDerWaalsContact CZ-CD1 3.48Å; Y13-F48 AromaticContact CZ-CE1 3.88Å; Y13-F48 WeakPolarHBondContact OH-CD1 3.46Å; Y13-F48 WeakPolarHBondContact OH-CE1 3.26Å; V14-F48 CarbonylContact O-C 3.55Å; V14-F48 WeakPolarHBondContact O-CA 3.48Å; A42-F48 WeakPolarHBondContact CA-O 3.43Å; A42-F48 HydrophobicContact CB-CB 3.85Å; A42-F48 WeakPolarHBondContact CB-O 3.44Å; A42-F48 PolarHBondContact N-O 3.2Å; A42-F48 VanDerWaalsContact O-O 3.07Å; P45-F48 HydrophobicContact CB-CD2 4.04Å; P45-F48 HydrophobicContact CB-CE2 3.66Å; P45-F48 HydrophobicContact CG-CD2 3.64Å; P45-F48 HydrophobicContact CG-CE2 3.4Å; P45-F48 HydrophobicContact CG-CZ 4.26Å; P45-F48 WeakPolarHBondContact O-CD2 3.31Å; P46-F48 WeakPolarHBondContact O-CD2 3.23Å; P46-F48 WeakPolarHBondContact O-CE2 3.33Å
49A84.3Confident79.7Confident0 Ų065.1 Ų65.10%032%0.318CS..EExtended strand (participates in β ladder)trans-149164171.600000111.1V14 L17 L26 W40 V41V14-A49 HydrophobicContact CB-CB 4.34Å; V14-A49 PolarHBondContact N-O 3.24Å; V14-A49 PolarHBondContact O-N 2.97Å; L17-A49 HydrophobicContact CD1-CB 3.42Å; L17-A49 VanDerWaalsContact CD1-CB 3.42Å; L26-A49 HydrophobicContact CD2-CB 3.26Å; W40-A49 CarbonylContact O-C 3.42Å; W40-A49 VanDerWaalsContact O-CA 3.29Å; W40-A49 WeakPolarHBondContact O-CA 2.91Å; V41-A49 HydrophobicContact CB-CB 4.34Å; V41-A49 HydrophobicContact CG1-CB 4.39Å; V41-A49 HydrophobicContact CG2-CB 3.97Å
50F84.9Confident79.1Confident67 Ų6766.6 Ų66.629%0.29433%0.331SS..EExtended strand (participates in β ladder)trans-132.1128.2179.5-69-97.3000107.7K11 V12 Y13 W40K11-F50 HydrophobicContact CD-CD1 4.16Å; K11-F50 HydrophobicContact CG-CD1 4.22Å; V12-F50 CarbonylContact O-C 3.58Å; V12-F50 WeakPolarHBondContact O-CA 3.48Å; Y13-F50 HydrophobicContact CD2-CD1 4.09Å; Y13-F50 HydrophobicContact CD2-CD2 4.48Å; Y13-F50 AromaticContact CD2-CE1 3.52Å; Y13-F50 HydrophobicContact CD2-CE1 3.52Å; Y13-F50 AromaticContact CD2-CE2 3.98Å; Y13-F50 HydrophobicContact CD2-CE2 3.98Å; Y13-F50 AromaticContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CD2-CZ 3.47Å; Y13-F50 VanDerWaalsContact CD2-CZ 3.47Å; Y13-F50 HydrophobicContact CE2-CE1 4.33Å; Y13-F50 HydrophobicContact CE2-CE2 4.19Å; Y13-F50 AromaticContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CE2-CZ 3.84Å; Y13-F50 HydrophobicContact CG-CE1 4.35Å; W40-F50 AromaticContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CD2 3.56Å; W40-F50 HydrophobicContact CE3-CE2 4.2Å; W40-F50 HydrophobicContact CE3-CG 4.4Å; W40-F50 AromaticContact CZ3-CD2 3.76Å; W40-F50 HydrophobicContact CZ3-CD2 3.76Å; W40-F50 AromaticContact CZ3-CE2 3.91Å; W40-F50 HydrophobicContact CZ3-CE2 3.91Å; W40-F50 PolarHBondContact N-O 3.12Å; W40-F50 PolarHBondContact O-N 3.36Å
51V86.2Confident78.8Confident0 Ų064 Ų640%033%0.328CS..EExtended strand (participates in β ladder)trans-115.9128.6177.6178.40000107.3K11 V12 V14 L26 F30 L36 V39 F53K11-V51 CarbonylContact C-O 3.53Å; K11-V51 WeakPolarHBondContact CA-O 3.33Å; V12-V51 HydrophobicContact CB-CB 4.37Å; V12-V51 PolarHBondContact N-O 3.47Å; V12-V51 PolarHBondContact O-N 3.43Å; V14-V51 HydrophobicContact CG2-CG2 4.05Å; L26-V51 HydrophobicContact CB-CG2 4.37Å; L26-V51 HydrophobicContact CD2-CG2 3.33Å; L26-V51 HydrophobicContact CG-CG2 3.69Å; F30-V51 HydrophobicContact CB-CG1 3.86Å; F30-V51 HydrophobicContact CD1-CB 4.34Å; F30-V51 HydrophobicContact CD1-CG1 4.03Å; F30-V51 HydrophobicContact CD1-CG2 4.37Å; F30-V51 HydrophobicContact CD2-CG1 4.5Å; F30-V51 HydrophobicContact CD2-CG2 3.8Å; F30-V51 HydrophobicContact CE1-CG2 4.49Å; F30-V51 HydrophobicContact CE2-CG2 3.95Å; F30-V51 HydrophobicContact CG-CB 4.33Å; F30-V51 HydrophobicContact CG-CG1 3.88Å; F30-V51 HydrophobicContact CG-CG2 4Å; F30-V51 HydrophobicContact CZ-CG2 4.28Å; L36-V51 HydrophobicContact CD2-CG1 3.65Å; V39-V51 HydrophobicContact CG1-CG2 4.27Å; V39-V51 HydrophobicContact CG2-CG1 4.3Å; V39-V51 HydrophobicContact CG2-CG2 4.45Å; V51-F53 HydrophobicContact CG1-CD2 4.06Å; V51-F53 HydrophobicContact CG1-CE2 3.74Å; V51-F53 HydrophobicContact CG1-CZ 4.39Å
52E85Confident78.5Confident38 Ų3862.3 Ų62.318%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-112.1123.7174.6-161.9170.594.200108C10 K11 L36 R37 S38C10-E52 CarbonylContact O-C 3.48Å; C10-E52 VanDerWaalsContact O-CA 3.3Å; C10-E52 WeakPolarHBondContact O-CA 3.31Å; K11-E52 WeakPolarHBondContact CE-OE2 3.25Å; K11-E52 IonicContact NZ-OE2 2.79Å; K11-E52 PolarHBondContact NZ-OE2 3.42Å; L36-E52 CarbonylContact C-O 3.51Å; R37-E52 WeakPolarHBondContact CA-O 3.34Å; R37-E52 HydrophobicContact CB-CB 4.34Å; R37-E52 HydrophobicContact CB-CG 4.28Å; R37-E52 WeakPolarHBondContact CB-O 3.4Å; R37-E52 WeakPolarHBondContact CD-OE1 3.3Å; R37-E52 HydrophobicContact CG-CG 4.48Å; R37-E52 IonicContact CZ-OE1 3.59Å; R37-E52 PolarHBondContact N-O 2.98Å; R37-E52 IonicContact NE-OE1 3.2Å; R37-E52 PolarHBondContact NE-OE1 3.16Å; R37-E52 IonicContact NH1-OE1 3.9Å; S38-E52 PolarHBondContact N-O 3.08Å; S38-E52 PolarHBondContact O-N 3.05Å
53F86.3Confident78.3Confident0 Ų062.5 Ų62.50%032%0.319CS..EExtended strand (participates in β ladder)trans-89.2157.9174.9-78.2-94.8000111.4C10 V12 F30 L36 V51 D55 D58 A59 A62C10-F53 HydrophobicContact CB-CB 4.16Å; C10-F53 WeakPolarHBondContact CB-O 2.95Å; C10-F53 PolarHBondContact O-N 3.13Å; V12-F53 HydrophobicContact CG2-CD2 4.05Å; V12-F53 HydrophobicContact CG2-CE2 3.98Å; F30-F53 HydrophobicContact CB-CE1 4.48Å; F30-F53 HydrophobicContact CB-CE2 4.24Å; F30-F53 HydrophobicContact CB-CZ 3.69Å; F30-F53 AromaticContact CD1-CE2 3.59Å; F30-F53 HydrophobicContact CD1-CE2 3.59Å; F30-F53 AromaticContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CD1-CZ 3.6Å; F30-F53 HydrophobicContact CE1-CE2 4.4Å; F30-F53 HydrophobicContact CG-CE2 4.34Å; F30-F53 HydrophobicContact CG-CZ 4.14Å; F30-F53 WeakPolarHBondContact O-CE1 3.26Å; L36-F53 HydrophobicContact CD2-CD1 3.66Å; L36-F53 HydrophobicContact CD2-CD2 4.29Å; L36-F53 HydrophobicContact CD2-CE1 3.37Å; L36-F53 HydrophobicContact CD2-CE2 4.05Å; L36-F53 HydrophobicContact CD2-CG 4.12Å; L36-F53 HydrophobicContact CD2-CZ 3.6Å; V51-F53 HydrophobicContact CG1-CD2 4.06Å; V51-F53 HydrophobicContact CG1-CE2 3.74Å; V51-F53 HydrophobicContact CG1-CZ 4.39Å; F53-D55 WeakPolarHBondContact CB-O 3.28Å; F53-D58 HydrophobicContact CD1-CB 3.86Å; F53-D58 HydrophobicContact CE1-CB 4.21Å; F53-A59 HydrophobicContact CB-CB 3.94Å; F53-A59 HydrophobicContact CD2-CB 3.61Å; F53-A59 HydrophobicContact CE2-CB 4.33Å; F53-A59 HydrophobicContact CG-CB 3.9Å; F53-A62 HydrophobicContact CE1-CB 4.4Å; F53-A62 HydrophobicContact CE2-CB 3.95Å; F53-A62 HydrophobicContact CZ-CB 3.53Å
54E84.6Confident78.4Confident128 Ų12861.3 Ų61.360%0.59831%0.314SS*.SBendtrans-72.1-41.2168-163.8159.191.300110.6P35P35-E54 HydrophobicContact CB-CB 4.25Å; P35-E54 HydrophobicContact CG-CB 4.02Å; P35-E54 PolarHBondContact O-N 2.77Å
55D81.6Confident78.7Confident45 Ų4559.5 Ų59.524%0.24130%0.301CS..  trans-108.5132.1179.5-89.3-94.5000112.6F53 R57 D58 A59F53-D55 WeakPolarHBondContact CB-O 3.28Å; D55-R57 VanDerWaalsContact C-N 3.26Å; D55-R57 PolarHBondContact O-N 2.7Å; D55-R57 IonicContact OD1-CZ 3.6Å; D55-R57 IonicContact OD1-NE 3.55Å; D55-R57 IonicContact OD1-NH2 2.79Å; D55-R57 PolarHBondContact OD1-NH2 2.86Å; D55-D58 HydrophobicContact CB-CB 4.25Å; D55-D58 WeakPolarHBondContact CB-OD2 3.47Å; D55-D58 PolarHBondContact O-N 2.89Å; D55-A59 PolarHBondContact O-N 2.82Å
56P74.9Confident78.8Confident39 Ų3957 Ų5725%0.25328%0.283SS..Hα-helixtrans-69-25.7177.425.5-32.1000113D9 A59 A60D9-P56 WeakPolarHBondContact OD2-CB 3.12Å; P56-A59 PolarHBondContact O-N 2.85Å; P56-A60 WeakPolarHBondContact O-CB 3.44Å; P56-A60 PolarHBondContact O-N 3.35Å
57R80.6Confident78.6Confident167 Ų16756.9 Ų56.963%0.6328%0.277SS*.Hα-helixtrans-64.4-48.5175.9-63.9173.6-67.6172.11.9110.4D55 A59 A60 D61D55-R57 VanDerWaalsContact C-N 3.26Å; D55-R57 PolarHBondContact O-N 2.7Å; D55-R57 IonicContact OD1-CZ 3.6Å; D55-R57 IonicContact OD1-NE 3.55Å; D55-R57 IonicContact OD1-NH2 2.79Å; D55-R57 PolarHBondContact OD1-NH2 2.86Å; R57-A59 VanDerWaalsContact C-N 3.31Å; R57-A59 PolarHBondContact O-N 2.75Å; R57-A60 WeakPolarHBondContact O-CB 3.44Å; R57-A60 PolarHBondContact O-N 2.81Å; R57-A60 VanDerWaalsContact O-N 3.14Å; R57-D61 PolarHBondContact O-N 3.28Å
58D84.2Confident77.4Confident39 Ų3958.2 Ų58.221%0.20929%0.291CS..Hα-helixtrans-65-37.7178.3-56.1-9.1000111.1F53 D55 D61 A62F53-D58 HydrophobicContact CD1-CB 3.86Å; F53-D58 HydrophobicContact CE1-CB 4.21Å; D55-D58 HydrophobicContact CB-CB 4.25Å; D55-D58 WeakPolarHBondContact CB-OD2 3.47Å; D55-D58 PolarHBondContact O-N 2.89Å; D58-D61 PolarHBondContact O-N 2.74Å; D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.01Å
59A78.6Confident75.8Confident2 Ų264.8 Ų64.82%0.01731%0.314CS..Hα-helixtrans-60.1-44.7172.900000111.9V12 F53 D55 P56 R57 V63V12-A59 HydrophobicContact CG2-CB 4.07Å; F53-A59 HydrophobicContact CB-CB 3.94Å; F53-A59 HydrophobicContact CD2-CB 3.61Å; F53-A59 HydrophobicContact CE2-CB 4.33Å; F53-A59 HydrophobicContact CG-CB 3.9Å; D55-A59 PolarHBondContact O-N 2.82Å; P56-A59 PolarHBondContact O-N 2.85Å; R57-A59 VanDerWaalsContact C-N 3.31Å; R57-A59 PolarHBondContact O-N 2.75Å; A59-V63 WeakPolarHBondContact O-CB 3.25Å; A59-V63 VanDerWaalsContact O-CG2 3.23Å; A59-V63 WeakPolarHBondContact O-CG2 3.46Å; A59-V63 PolarHBondContact O-N 3.26Å
60A75.2Confident74Confident43 Ų4367.4 Ų67.436%0.35533%0.328SS..Hα-helixtrans-65.4-44.6178.800000111.7P56 R57 V63 R64P56-A60 WeakPolarHBondContact O-CB 3.44Å; P56-A60 PolarHBondContact O-N 3.35Å; R57-A60 WeakPolarHBondContact O-CB 3.44Å; R57-A60 PolarHBondContact O-N 2.81Å; R57-A60 VanDerWaalsContact O-N 3.14Å; A60-V63 PolarHBondContact O-N 3.33Å; A60-R64 WeakPolarHBondContact O-CB 3.15Å; A60-R64 WeakPolarHBondContact O-CG 2.87Å; A60-R64 PolarHBondContact O-N 2.92Å
61D79.3Confident71.6Confident102 Ų10272.9 Ų72.955%0.54535%0.354SS..Hα-helixtrans-63.5-43.8175.8-84.5-72.3000112R57 D58 V63 R64 E65R57-D61 PolarHBondContact O-N 3.28Å; D58-D61 PolarHBondContact O-N 2.74Å; D61-V63 VanDerWaalsContact C-N 3.35Å; D61-V63 PolarHBondContact O-N 3.07Å; D61-R64 PolarHBondContact O-N 2.8Å; D61-E65 WeakPolarHBondContact O-CB 3.43Å; D61-E65 PolarHBondContact O-N 2.79Å
62A79.2Confident69.4Low0 Ų078.3 Ų78.30%039%0.391CS..Hα-helixtrans-60.1-44.3176.100000111.8F30 Y33 F53 D58 L66F30-A62 HydrophobicContact CD1-CB 3.99Å; F30-A62 HydrophobicContact CE1-CB 4.37Å; Y33-A62 HydrophobicContact CD1-CB 4.23Å; Y33-A62 HydrophobicContact CD2-CB 3.7Å; Y33-A62 HydrophobicContact CE2-CB 4.23Å; Y33-A62 HydrophobicContact CG-CB 3.69Å; F53-A62 HydrophobicContact CE1-CB 4.4Å; F53-A62 HydrophobicContact CE2-CB 3.95Å; F53-A62 HydrophobicContact CZ-CB 3.53Å; D58-A62 VanDerWaalsContact O-CB 3.24Å; D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.01Å; A62-L66 WeakPolarHBondContact O-CB 3.15Å; A62-L66 WeakPolarHBondContact O-CD1 3.49Å; A62-L66 WeakPolarHBondContact O-CG 3.43Å; A62-L66 PolarHBondContact O-N 2.93Å
63V74.8Confident67.1Low13 Ų1385.1 Ų85.18%0.07943%0.428CS..Hα-helixtrans-62.9-47176170.40000110.5V12 A59 A60 D61 E65 L66 D67 A78V12-V63 HydrophobicContact CB-CG2 4.1Å; V12-V63 HydrophobicContact CG1-CG2 3.46Å; V12-V63 VanDerWaalsContact CG1-CG2 3.46Å; V12-V63 HydrophobicContact CG2-CG2 3.53Å; A59-V63 WeakPolarHBondContact O-CB 3.25Å; A59-V63 VanDerWaalsContact O-CG2 3.23Å; A59-V63 WeakPolarHBondContact O-CG2 3.46Å; A59-V63 PolarHBondContact O-N 3.26Å; A60-V63 PolarHBondContact O-N 3.33Å; D61-V63 VanDerWaalsContact C-N 3.35Å; D61-V63 PolarHBondContact O-N 3.07Å; V63-E65 PolarHBondContact O-N 3Å; V63-L66 PolarHBondContact O-N 3.13Å; V63-D67 HydrophobicContact CG1-CB 4.48Å; V63-D67 WeakPolarHBondContact O-CA 3.47Å; V63-D67 WeakPolarHBondContact O-CB 3.43Å; V63-D67 PolarHBondContact O-N 2.82Å; V63-A78 HydrophobicContact CB-CB 4.43Å; V63-A78 HydrophobicContact CG1-CB 3.88Å; V63-A78 WeakPolarHBondContact CG1-O 3.47Å; V63-A78 HydrophobicContact CG2-CB 4.22Å
64R73.1Confident64.9Low197 Ų19786.4 Ų86.474%0.74344%0.441SS*.Hα-helixtrans-62.3-40.8-178.8-70.6173.976.7143.79.5113A60 D61 G68A60-R64 WeakPolarHBondContact O-CB 3.15Å; A60-R64 WeakPolarHBondContact O-CG 2.87Å; A60-R64 PolarHBondContact O-N 2.92Å; D61-R64 PolarHBondContact O-N 2.8Å; R64-G68 PolarHBondContact O-N 2.72Å
65E73.5Confident62.8Low109 Ų10984.6 Ų84.651%0.50944%0.439SS..Hα-helixtrans-72.4-34.5179.3-161.991.783.700111.8Y33 D61 V63 R69Y33-E65 HydrophobicContact CE1-CB 3.64Å; Y33-E65 HydrophobicContact CE1-CG 3.82Å; Y33-E65 WeakPolarHBondContact OH-CB 2.88Å; Y33-E65 VanDerWaalsContact OH-CG 3.25Å; Y33-E65 WeakPolarHBondContact OH-CG 3.29Å; D61-E65 WeakPolarHBondContact O-CB 3.43Å; D61-E65 PolarHBondContact O-N 2.79Å; V63-E65 PolarHBondContact O-N 3Å; E65-R69 WeakPolarHBondContact O-CB 3.07Å; E65-R69 WeakPolarHBondContact O-CG 3.22Å; E65-R69 PolarHBondContact O-N 2.97Å
66L68.8Low61.3Low26 Ų2684.3 Ų84.314%0.13644%0.437CS..Hα-helixtrans-84.8-31-179.4-68167.5000113.3F30 Y33 A62 V63 G68F30-L66 HydrophobicContact CD1-CD1 3.81Å; F30-L66 HydrophobicContact CD2-CD1 4.39Å; F30-L66 HydrophobicContact CE1-CD1 3.24Å; F30-L66 HydrophobicContact CE2-CD1 3.89Å; F30-L66 HydrophobicContact CG-CD1 4.39Å; F30-L66 HydrophobicContact CZ-CD1 3.3Å; Y33-L66 HydrophobicContact CE2-CD1 4.28Å; Y33-L66 HydrophobicContact CE2-CG 4.43Å; A62-L66 WeakPolarHBondContact O-CB 3.15Å; A62-L66 WeakPolarHBondContact O-CD1 3.49Å; A62-L66 WeakPolarHBondContact O-CG 3.43Å; A62-L66 PolarHBondContact O-N 2.93Å; V63-L66 PolarHBondContact O-N 3.13Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.2Å
67D62.6Low60.1Low102 Ų10286.1 Ų86.155%0.54544%0.444SS..Hα-helixtrans-69.5-23.5175-167.7-110.2000111.6V63V63-D67 HydrophobicContact CG1-CB 4.48Å; V63-D67 WeakPolarHBondContact O-CA 3.47Å; V63-D67 WeakPolarHBondContact O-CB 3.43Å; V63-D67 PolarHBondContact O-N 2.82Å
68G47.9Very low58.7Low52 Ų5278.4 Ų78.454%0.53642%0.416SS..Hα-helixtrans-98.3-16.5178.300000116.5R64 L66 L70R64-G68 PolarHBondContact O-N 2.72Å; L66-G68 VanDerWaalsContact C-N 3.26Å; L66-G68 PolarHBondContact O-N 3.2Å; G68-L70 VanDerWaalsContact C-N 3.35Å; G68-L70 PolarHBondContact O-N 3.3Å
69R46.8Very low57Low192 Ų19284 Ų8473%0.72543%0.434SS*.THydrogen-bonded Turntrans-864.1-173.2-86.6-174.568.8155.51115.4E65E65-R69 WeakPolarHBondContact O-CB 3.07Å; E65-R69 WeakPolarHBondContact O-CG 3.22Å; E65-R69 PolarHBondContact O-N 2.97Å
70L45.6Very low55.3Low55 Ų5586 Ų8629%0.28845%0.448SS..THydrogen-bonded Turntrans-123.731.2-170.7-67.7161.4000114.4G68 C72 G74 I76G68-L70 VanDerWaalsContact C-N 3.35Å; G68-L70 PolarHBondContact O-N 3.3Å; L70-C72 PolarHBondContact O-N 3.17Å; L70-G74 VanDerWaalsContact CD1-O 3.3Å; L70-G74 WeakPolarHBondContact CD1-O 3.34Å; L70-G74 VanDerWaalsContact CD2-O 3.26Å; L70-G74 WeakPolarHBondContact CD2-O 3.44Å; L70-G74 WeakPolarHBondContact CG-O 3.49Å; L70-I76 HydrophobicContact CD1-CB 3.41Å; L70-I76 VanDerWaalsContact CD1-CB 3.41Å; L70-I76 HydrophobicContact CD1-CD1 3.96Å; L70-I76 HydrophobicContact CD1-CG1 3.61Å
71E35.9Very low54Low182 Ų18290.9 Ų90.985%0.8547%0.468SS*.THydrogen-bonded Turntrans-68.916.3165.6-74.2-76.39900113.3
72C38.3Very low52.7Low113 Ų11392.7 Ų92.776%0.76448%0.477SS*.THydrogen-bonded Turntrans-151.1103.1172.1-76.10000109.7L70L70-C72 PolarHBondContact O-N 3.17Å
73N37.6Very low51.2Low181 Ų18197.8 Ų97.897%0.96851%0.511SS*.THydrogen-bonded Turntrans78.815.5156.3-97.618.7000122.7
74G39.9Very low49.7Very low27 Ų27103.4 Ų103.428%0.27854%0.54SS..  trans-17596.3168.300000113.7L70 I76L70-G74 VanDerWaalsContact CD1-O 3.3Å; L70-G74 WeakPolarHBondContact CD1-O 3.34Å; L70-G74 VanDerWaalsContact CD2-O 3.26Å; L70-G74 WeakPolarHBondContact CD2-O 3.44Å; L70-G74 WeakPolarHBondContact CG-O 3.49Å; G74-I76 PolarHBondContact O-N 2.8Å
75V41.5Very low48.4Very low90 Ų90102.5 Ų102.555%0.54555%0.549SS..  trans-76.385.8-165.1-163.90000112.4N16 L77N16-V75 WeakPolarHBondContact CB-O 3.42Å; N16-V75 PolarHBondContact ND2-N 3.44Å; N16-V75 PolarHBondContact ND2-O 3.28Å; N16-V75 VanDerWaalsContact ND2-O 3.13Å; V75-L77 HydrophobicContact CG1-CD1 4.42Å; V75-L77 PolarHBondContact O-N 3.21Å; V75-L77 VanDerWaalsContact O-N 3.08Å
76I48.3Very low47Very low40 Ų4099.9 Ų99.921%0.20555%0.552CS.*  trans-69.8106.1166.4-64.4-179.8000108.1V14 G15 L17 L70 G74 A78V14-I76 HydrophobicContact CB-CG2 4.47Å; V14-I76 HydrophobicContact CG1-CD1 4.47Å; V14-I76 HydrophobicContact CG1-CG2 3.36Å; G15-I76 WeakPolarHBondContact O-CA 3.35Å; L17-I76 HydrophobicContact CD2-CD1 4.06Å; L70-I76 HydrophobicContact CD1-CB 3.41Å; L70-I76 VanDerWaalsContact CD1-CB 3.41Å; L70-I76 HydrophobicContact CD1-CD1 3.96Å; L70-I76 HydrophobicContact CD1-CG1 3.61Å; G74-I76 PolarHBondContact O-N 2.8Å; I76-A78 PolarHBondContact O-N 3.13Å; I76-A78 VanDerWaalsContact O-N 3.16Å
77L50.6Low45.8Very low76 Ų76104.7 Ų104.740%0.39859%0.587SS.*  trans-84.490.9-179.9-157.891000109Y13 V75 R79Y13-L77 VanDerWaalsContact CD1-O 3.31Å; Y13-L77 WeakPolarHBondContact CD1-O 3.44Å; V75-L77 HydrophobicContact CG1-CD1 4.42Å; V75-L77 PolarHBondContact O-N 3.21Å; V75-L77 VanDerWaalsContact O-N 3.08Å; L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 HydrophobicContact CD2-CG 3.71Å; L77-R79 HydrophobicContact CG-CG 4.06Å; L77-R79 PolarHBondContact O-N 3.29Å; L77-R79 VanDerWaalsContact O-N 3.12Å
78A52.2Low45.2Very low5 Ų5104.4 Ų104.44%0.04159%0.593CS.*  trans-83.876.3175.200000110.3V12 Y13 V63 I76 C80V12-A78 HydrophobicContact CG1-CB 4.35Å; Y13-A78 VanDerWaalsContact O-CA 3.31Å; Y13-A78 WeakPolarHBondContact O-CA 3.33Å; V63-A78 HydrophobicContact CB-CB 4.43Å; V63-A78 HydrophobicContact CG1-CB 3.88Å; V63-A78 WeakPolarHBondContact CG1-O 3.47Å; V63-A78 HydrophobicContact CG2-CB 4.22Å; I76-A78 PolarHBondContact O-N 3.13Å; I76-A78 VanDerWaalsContact O-N 3.16Å; A78-C80 PolarHBondContact O-N 2.7Å; A78-C80 VanDerWaalsContact O-N 3.09Å
79R46.8Very low45.4Very low157 Ų157109.2 Ų109.259%0.59261%0.607SS**  trans-76101.7173.8-74.6-179.889.5128.1-1.6109.4L77L77-R79 VanDerWaalsContact C-N 3.33Å; L77-R79 HydrophobicContact CD2-CG 3.71Å; L77-R79 HydrophobicContact CG-CG 4.06Å; L77-R79 PolarHBondContact O-N 3.29Å; L77-R79 VanDerWaalsContact O-N 3.12Å
80C44.4Very low45.7Very low45 Ų45104.6 Ų104.630%0.30460%0.604SS.*  trans-60.5138.2147.4-77.50000107.8A78 L82A78-C80 PolarHBondContact O-N 2.7Å; A78-C80 VanDerWaalsContact O-N 3.09Å; C80-L82 HydrophobicContact CB-CB 3.89Å; C80-L82 PolarHBondContact O-N 2.68Å
81N47.5Very low46.4Very low145 Ų145107.8 Ų107.878%0.77563%0.628SS**G310 helixtrans-69.221.3170.4-16447000112.6C83N81-C83 VanDerWaalsContact C-N 3.29Å; N81-C83 PolarHBondContact O-N 2.78Å
82L52.7Low46.9Very low140 Ų140103.8 Ų103.873%0.73363%0.626SS**G310 helixtrans-71.1-16.3-167.4-17358.9000113.7C80C80-L82 HydrophobicContact CB-CB 3.89Å; C80-L82 PolarHBondContact O-N 2.68Å
83C46.4Very low47.9Very low107 Ų107104.4 Ų104.472%0.72363%0.632SS**G310 helixtrans-138.452.1-172.5-71.20000115N81N81-C83 VanDerWaalsContact C-N 3.29Å; N81-C83 PolarHBondContact O-N 2.78Å
84L43.9Very low48.4Very low130 Ų130100.4 Ų100.468%0.68162%0.624SS**SBendtrans-115.7-2.9157.2-82168.8000114.2
85L44.8Very low48.5Very low179 Ų179107.9 Ų107.994%0.93768%0.682SS**SBendtrans-134.248.5173.6-147.881.8000111.3
86G44.7Very low48.8Very low54 Ų54108.8 Ų108.856%0.55769%0.689SS**  trans-131.622.4-179.700000113.3S88G86-S88 PolarHBondContact O-N 2.74Å
87S43.7Very low48.9Very low127 Ų127112.4 Ų112.489%0.88872%0.715SS**  trans-73.872161.9-54.80000108.9
88S50.1Low48.8Very low96 Ų96114.4 Ų114.467%0.67173%0.732SS**  trans-146.367.6158.18.30000108.2G86 S90G86-S88 PolarHBondContact O-N 2.74Å; S88-S90 VanDerWaalsContact C-N 3.26Å; S88-S90 PolarHBondContact O-N 2.91Å; S88-S90 VanDerWaalsContact O-N 3.12Å
89D51.3Low48.6Very low153 Ų153120.8 Ų120.882%0.81877%0.773SS**  trans-6298.3146.4-157.8-73.5000106.6
90S53Low48.7Very low95 Ų95118.6 Ų118.666%0.66478%0.784SS**  trans-143.694.2168.5-69.70000108.1S88 A92S88-S90 VanDerWaalsContact C-N 3.26Å; S88-S90 PolarHBondContact O-N 2.91Å; S88-S90 VanDerWaalsContact O-N 3.12Å; S90-A92 PolarHBondContact O-N 3.1Å; S90-A92 VanDerWaalsContact O-N 3.11Å
91P60Low49Very low122 Ų122123.5 Ų123.579%0.79282%0.816SS**  trans-77.990.9165.632.2-29.2000107.6
92A48.4Very low49.1Very low97 Ų97121.9 Ų121.980%0.80282%0.819SS**  trans-134.970.5169.700000109.9S90S90-A92 PolarHBondContact O-N 3.1Å; S90-A92 VanDerWaalsContact O-N 3.11Å
93S58.2Low48.8Very low127 Ų127120.5 Ų120.589%0.88883%0.826SS**  trans-131.695.4153.4-162.70000107.4
94A47.5Very low49Very low97 Ų97121.7 Ų121.780%0.80283%0.834SS**  trans-158.2108159.600000108
95A42.5Very low49.5Very low183 Ų183120.9 Ų120.9100%1.51285%0.848SS**  trans44.70152.500000119.9

Retrieved 95 of 95 residues in 48.7 ms (Link to these results)