A0A3Q0KF93_SCHMA Loading...

Small ubiquitin-related modifier

AlphaFold DB (Q2VU48), UniProt , Accession A0A3Q0KF93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.9Very low49.9Very low248 Ų248133.1 Ų133.1100%1.22277%0.768SS**  0118.90-76.314817300106.5
2T40.1Very low52.9Low134 Ų134130.3 Ų130.382%0.82274%0.743SS**  trans-64.3121.2-173.143.40000111.5
3D44.5Very low55.9Low157 Ų157124.4 Ų124.484%0.8471%0.705SS**  trans-163.390.6146-100.8-51.3000108A5D3-A5 PolarHBondContact O-N 3.22Å
4S52.6Low58.6Low127 Ų127115.8 Ų115.889%0.88866%0.656SS**  trans-73.176.4165.3-65.90000107.7N6S4-N6 PolarHBondContact O-N 3.38Å
5A50.9Low60.9Low86 Ų86111.7 Ų111.771%0.71163%0.631SS**  trans-66.784.6163.600000107.5D3 K7D3-A5 PolarHBondContact O-N 3.22Å; A5-K7 PolarHBondContact O-N 2.86Å
6N49.9Very low63.1Low114 Ų114104.7 Ų104.761%0.6159%0.592SS**  trans-66.589.4170.9-167.924.9000107.7S4 E8S4-N6 PolarHBondContact O-N 3.38Å; N6-E8 VanDerWaalsContact ND2-CG 3.31Å; N6-E8 WeakPolarHBondContact ND2-CG 3.46Å; N6-E8 PolarHBondContact ND2-OE1 3.45Å; N6-E8 PolarHBondContact O-N 3.48Å
7K45.3Very low65Low206 Ų206102.2 Ų102.290%0.89657%0.573SS**  trans-67.873.3163-85.9-178.4173.7178.10107.6A5 A9A5-K7 PolarHBondContact O-N 2.86Å; K7-A9 PolarHBondContact O-N 3.05Å
8E47.7Very low66.7Low135 Ų13596.6 Ų96.663%0.63154%0.541SS*.  trans-69.6125.9168.6-95.2171.4-172.900108.1N6N6-E8 VanDerWaalsContact ND2-CG 3.31Å; N6-E8 WeakPolarHBondContact ND2-CG 3.46Å; N6-E8 PolarHBondContact ND2-OE1 3.45Å; N6-E8 PolarHBondContact O-N 3.48Å
9A53Low68.2Low77 Ų7795.7 Ų95.764%0.63653%0.533SS*.  trans-41.6149.3165.400000110.1K7 S11K7-A9 PolarHBondContact O-N 3.05Å; A9-S11 VanDerWaalsContact C-N 3.3Å; A9-S11 WeakPolarHBondContact O-CA 3.25Å; A9-S11 PolarHBondContact O-N 2.84Å
10P57.5Low69.4Low134 Ų13491.3 Ų91.387%0.8751%0.509SS*.  trans-49.598.5-174.918.9-31.1000109.7E12P10-E12 PolarHBondContact O-N 3.39Å
11S65.5Low70.2Confident46 Ų4692.2 Ų92.232%0.32251%0.51SS..  trans-69.9122.2-172161.90000105.1A9 H13A9-S11 VanDerWaalsContact C-N 3.3Å; A9-S11 WeakPolarHBondContact O-CA 3.25Å; A9-S11 PolarHBondContact O-N 2.84Å; S11-H13 WeakPolarHBondContact CB-O 3.42Å; S11-H13 PolarHBondContact O-N 3.1Å; S11-H13 PolarHBondContact OG-N 3.3Å; S11-H13 PolarHBondContact OG-O 3.13Å
12E85.7Confident72.2Confident100 Ų10089 Ų8947%0.46749%0.491SS..SBendtrans-57.7-20.4177.2-160.5-167.4153.400111.1P10 R31 K32P10-E12 PolarHBondContact O-N 3.39Å; E12-R31 CarbonylContact O-C 3.51Å; E12-R31 WeakPolarHBondContact O-CA 3.31Å; E12-R31 IonicContact OE1-CZ 3.65Å; E12-R31 IonicContact OE1-NE 3.66Å; E12-R31 IonicContact OE1-NH1 3.68Å; E12-R31 PolarHBondContact OE1-NH1 3.14Å; E12-R31 IonicContact OE2-CZ 2.73Å; E12-R31 IonicContact OE2-NH1 3.99Å; E12-R31 PolarHBondContact OE2-NH1 3.43Å; E12-K32 PolarHBondContact O-N 3.32Å
13H91.9Very high74.3Confident53 Ų5384.9 Ų84.925%0.24548%0.476CS..EExtended strand (participates in β ladder)trans-103.8144.4175.8-53.773.9000110.9S11 K29 I30 R31S11-H13 WeakPolarHBondContact CB-O 3.42Å; S11-H13 PolarHBondContact O-N 3.1Å; S11-H13 PolarHBondContact OG-N 3.3Å; S11-H13 PolarHBondContact OG-O 3.13Å; H13-K29 HydrophobicContact CB-CG 4.05Å; H13-I30 CarbonylContact C-O 3.55Å; H13-I30 VanDerWaalsContact CA-O 3.24Å; H13-I30 WeakPolarHBondContact CA-O 3.28Å; H13-R31 WeakPolarHBondContact CD2-CG 3.31Å; H13-R31 PolarHBondContact CE1-NE 2.75Å; H13-R31 PolarHBondContact CE1-NH2 2.77Å; H13-R31 WeakPolarHBondContact NE2-CG 3.45Å; H13-R31 PolarHBondContact NE2-NE 3.01Å
14I93.4Very high76.3Confident4 Ų479.4 Ų79.42%0.02145%0.45CS..EExtended strand (participates in β ladder)trans-121.6149.316860.1169.5000110.5I16 K29 I30 K32 P69 M74 E76I14-I16 HydrophobicContact CD1-CD1 3.84Å; I14-I16 HydrophobicContact CD1-CG1 3.81Å; I14-I16 HydrophobicContact CG1-CD1 4.05Å; I14-I16 HydrophobicContact CG1-CG1 3.81Å; I14-K29 WeakPolarHBondContact O-CA 3.36Å; I14-I30 PolarHBondContact N-O 2.95Å; I14-I30 PolarHBondContact O-N 3.47Å; I14-K32 HydrophobicContact CG2-CD 4.28Å; I14-K32 HydrophobicContact CG2-CG 3.97Å; I14-P69 HydrophobicContact CD1-CB 3.43Å; I14-P69 VanDerWaalsContact CD1-CB 3.43Å; I14-P69 HydrophobicContact CD1-CG 4.22Å; I14-P69 HydrophobicContact CG1-CB 4.16Å; I14-M74 HydrophobicContact CD1-CB 3.71Å; I14-E76 VanDerWaalsContact CA-OE2 3.22Å; I14-E76 WeakPolarHBondContact CA-OE2 3.48Å
15N94.3Very high78.2Confident54 Ų5477.6 Ų77.629%0.28943%0.43SS..EExtended strand (participates in β ladder)trans-87.6125.6166.7-63.2-66000109.6F28 K29 E76 N77N15-F28 CarbonylContact C-O 3.5Å; N15-F28 WeakPolarHBondContact CA-O 3.3Å; N15-K29 WeakPolarHBondContact OD1-CB 3.37Å; N15-E76 WeakPolarHBondContact CB-OE1 3.47Å; N15-E76 PolarHBondContact N-OE2 3.29Å; N15-E76 PolarHBondContact ND2-OE1 2.9Å; N15-N77 VanDerWaalsContact O-CA 3.26Å; N15-N77 WeakPolarHBondContact O-CA 3.38Å; N15-N77 PolarHBondContact O-N 3.19Å
16I94.6Very high80.2Confident0 Ų074.2 Ų74.20%040%0.4CS..EExtended strand (participates in β ladder)trans-118.9136.4179.8-42.9-176.4000108.1I14 H27 F28 I30 F36 L39 P69 M74 V80I14-I16 HydrophobicContact CD1-CD1 3.84Å; I14-I16 HydrophobicContact CD1-CG1 3.81Å; I14-I16 HydrophobicContact CG1-CD1 4.05Å; I14-I16 HydrophobicContact CG1-CG1 3.81Å; I16-H27 WeakPolarHBondContact O-CA 3.3Å; I16-F28 PolarHBondContact N-O 2.99Å; I16-F28 PolarHBondContact O-N 3.34Å; I16-I30 HydrophobicContact CD1-CD1 3.52Å; I16-I30 HydrophobicContact CD1-CG1 3.55Å; I16-I30 HydrophobicContact CG1-CG1 4.24Å; I16-F36 HydrophobicContact CD1-CZ 3.9Å; I16-L39 HydrophobicContact CD1-CD1 4.49Å; I16-P69 HydrophobicContact CD1-CB 4.31Å; I16-P69 HydrophobicContact CD1-CG 3.93Å; I16-M74 HydrophobicContact CD1-SD 4.06Å; I16-V80 HydrophobicContact CG2-CG2 3.71Å
17K95.8Very high82.3Confident63 Ų6374.5 Ų74.527%0.27440%0.397SS..EExtended strand (participates in β ladder)trans-94129.5171.5-62.4173.7-160140.20108.7I25 N77 D78 T79 V80K17-I25 HydrophobicContact CB-CG2 4.23Å; K17-N77 PolarHBondContact NZ-O 3.18Å; K17-N77 VanDerWaalsContact NZ-O 3.1Å; K17-D78 PolarHBondContact N-O 3.06Å; K17-T79 HydrophobicContact CB-CG2 4.37Å; K17-T79 CarbonylContact O-C 3.54Å; K17-T79 VanDerWaalsContact O-CA 3.32Å; K17-T79 WeakPolarHBondContact O-CA 3.46Å; K17-V80 PolarHBondContact O-N 3.19Å
18V95.6Very high84.7Confident0 Ų066.2 Ų66.20%036%0.361CS..EExtended strand (participates in β ladder)trans-110.7111.4174.3-176.60000107.5I25 I26 F28 L39 Y43 F56 V80 V82V18-I25 CarbonylContact O-C 3.53Å; V18-I25 WeakPolarHBondContact O-CA 3.29Å; V18-I26 PolarHBondContact N-O 3.39Å; V18-I26 PolarHBondContact O-N 2.85Å; V18-F28 HydrophobicContact CB-CD2 4.27Å; V18-F28 HydrophobicContact CB-CE2 4.23Å; V18-F28 HydrophobicContact CG2-CD2 3.53Å; V18-F28 HydrophobicContact CG2-CE2 3.84Å; V18-L39 HydrophobicContact CG2-CD1 4.09Å; V18-L39 HydrophobicContact CG2-CD2 3.9Å; V18-L39 HydrophobicContact CG2-CG 4.31Å; V18-Y43 HydrophobicContact CB-CD2 4.24Å; V18-Y43 HydrophobicContact CB-CE2 4.32Å; V18-Y43 HydrophobicContact CG1-CD2 3.5Å; V18-Y43 VanDerWaalsContact CG1-CD2 3.5Å; V18-Y43 HydrophobicContact CG1-CE2 3.45Å; V18-Y43 VanDerWaalsContact CG1-CE2 3.45Å; V18-Y43 HydrophobicContact CG1-CG 4.34Å; V18-F56 HydrophobicContact CG1-CD1 4.44Å; V18-F56 HydrophobicContact CG1-CE1 4.01Å; V18-V80 CarbonylContact C-O 3.52Å; V18-V80 WeakPolarHBondContact CA-O 3.36Å; V18-V80 HydrophobicContact CG2-CB 4.47Å; V18-V82 HydrophobicContact CG1-CG2 3.33Å
19Q95.1Very high86.9Confident81 Ų8166.2 Ų66.238%0.37936%0.359SS..EExtended strand (participates in β ladder)trans-104.5117.2-175.6-177.5173.3-1100110.3S24 I25 T79 V80 E81 V82Q19-S24 CarbonylContact C-O 3.6Å; Q19-S24 WeakPolarHBondContact CA-O 3.38Å; Q19-I25 HydrophobicContact CB-CG1 4.4Å; Q19-I25 HydrophobicContact CG-CG1 4.19Å; Q19-T79 HydrophobicContact CB-CG2 4.02Å; Q19-V80 PolarHBondContact N-O 2.89Å; Q19-E81 CarbonylContact O-C 3.56Å; Q19-V82 PolarHBondContact O-N 3.07Å
20G91.8Very high88.8Confident6 Ų663.5 Ų63.56%0.06233%0.333CS..EExtended strand (participates in β ladder)trans-85167.4172.300000113.2E22 G23 S24G20-E22 VanDerWaalsContact C-N 3.27Å; G20-E22 PolarHBondContact O-N 2.98Å; G20-G23 PolarHBondContact O-N 2.78Å; G20-G23 VanDerWaalsContact O-N 3.14Å; G20-S24 PolarHBondContact N-O 2.98Å
21Q86.4Confident90.5Very high112 Ų11261.8 Ų61.852%0.52331%0.31SS..THydrogen-bonded Turntrans-61.8-30.2-179-63.5-173.5-27.200114.2G23 V82 F83Q21-G23 PolarHBondContact O-N 2.94Å; Q21-V82 WeakPolarHBondContact CG-O 3.27Å; Q21-F83 HydrophobicContact CG-CD1 4.49Å; Q21-F83 VanDerWaalsContact NE2-CA 3.35Å
22E84.6Confident91.7Very high179 Ų17963.7 Ų63.784%0.83631%0.312SS*.THydrogen-bonded Turntrans-82.510.6179.8-60.1-172.216200113G20 S24G20-E22 VanDerWaalsContact C-N 3.27Å; G20-E22 PolarHBondContact O-N 2.98Å; E22-S24 VanDerWaalsContact C-N 3.26Å; E22-S24 PolarHBondContact O-N 3.35Å
23G83.4Confident92.1Very high49 Ų4962.5 Ų62.551%0.50532%0.315SS..SBendtrans788.7-175.600000113.9G20 Q21 I25G20-G23 PolarHBondContact O-N 2.78Å; G20-G23 VanDerWaalsContact O-N 3.14Å; Q21-G23 PolarHBondContact O-N 2.94Å; G23-I25 PolarHBondContact O-N 3.45Å
24S87.9Confident92.1Very high41 Ų4161.3 Ų61.329%0.28731%0.311SS..  trans-68.2126172.655.70000110.1Q19 G20 E22Q19-S24 CarbonylContact C-O 3.6Å; Q19-S24 WeakPolarHBondContact CA-O 3.38Å; G20-S24 PolarHBondContact N-O 2.98Å; E22-S24 VanDerWaalsContact C-N 3.26Å; E22-S24 PolarHBondContact O-N 3.35Å
25I92.3Very high92.3Very high90 Ų9064 Ų6446%0.46233%0.329SS..EExtended strand (participates in β ladder)trans-116.8123.4176.9-59.6175.3000108.5K17 V18 Q19 G23K17-I25 HydrophobicContact CB-CG2 4.23Å; V18-I25 CarbonylContact O-C 3.53Å; V18-I25 WeakPolarHBondContact O-CA 3.29Å; Q19-I25 HydrophobicContact CB-CG1 4.4Å; Q19-I25 HydrophobicContact CG-CG1 4.19Å; G23-I25 PolarHBondContact O-N 3.45Å
26I93Very high92.3Very high15 Ų1561.4 Ų61.48%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-118.1123.4176.8-54.3-178.6000108.5V18 F28 Y43V18-I26 PolarHBondContact N-O 3.39Å; V18-I26 PolarHBondContact O-N 2.85Å; I26-F28 HydrophobicContact CB-CD2 4.49Å; I26-F28 HydrophobicContact CB-CE2 3.93Å; I26-F28 HydrophobicContact CG2-CD2 3.96Å; I26-F28 HydrophobicContact CG2-CE2 3.37Å; I26-F28 HydrophobicContact CG2-CZ 3.81Å; I26-Y43 HydrophobicContact CD1-CD2 3.81Å; I26-Y43 HydrophobicContact CD1-CE2 3.84Å; I26-Y43 HydrophobicContact CG1-CE2 4.44Å
27H94.3Very high92.4Very high120 Ų12066.5 Ų66.556%0.55634%0.337SS*.EExtended strand (participates in β ladder)trans-89.1132176.9-65-108.2000110.1I16I16-H27 WeakPolarHBondContact O-CA 3.3Å
28F94.3Very high92.2Very high32 Ų3271 Ų7114%0.1436%0.357CS..EExtended strand (participates in β ladder)trans-121.4138.5174.4-74.4-88.8000110.1N15 I16 V18 I26 I30 L39 A42 Y43N15-F28 CarbonylContact C-O 3.5Å; N15-F28 WeakPolarHBondContact CA-O 3.3Å; I16-F28 PolarHBondContact N-O 2.99Å; I16-F28 PolarHBondContact O-N 3.34Å; V18-F28 HydrophobicContact CB-CD2 4.27Å; V18-F28 HydrophobicContact CB-CE2 4.23Å; V18-F28 HydrophobicContact CG2-CD2 3.53Å; V18-F28 HydrophobicContact CG2-CE2 3.84Å; I26-F28 HydrophobicContact CB-CD2 4.49Å; I26-F28 HydrophobicContact CB-CE2 3.93Å; I26-F28 HydrophobicContact CG2-CD2 3.96Å; I26-F28 HydrophobicContact CG2-CE2 3.37Å; I26-F28 HydrophobicContact CG2-CZ 3.81Å; F28-I30 HydrophobicContact CB-CG2 4.34Å; F28-L39 HydrophobicContact CB-CD1 3.97Å; F28-L39 HydrophobicContact CD1-CG 4.29Å; F28-L39 HydrophobicContact CD2-CD1 4.14Å; F28-L39 HydrophobicContact CD2-CG 4.06Å; F28-L39 HydrophobicContact CE2-CG 4.28Å; F28-L39 HydrophobicContact CG-CD1 4Å; F28-L39 HydrophobicContact CG-CG 4.04Å; F28-A42 HydrophobicContact CE1-CB 3.86Å; F28-A42 HydrophobicContact CZ-CB 4.34Å; F28-Y43 HydrophobicContact CE2-CD2 4.4Å
29K93.7Very high92.2Very high134 Ų13471.1 Ų71.158%0.58336%0.357SS*.EExtended strand (participates in β ladder)trans-106.7112167.7-173.5172.1-176.9170.70108.7H13 I14 N15H13-K29 HydrophobicContact CB-CG 4.05Å; I14-K29 WeakPolarHBondContact O-CA 3.36Å; N15-K29 WeakPolarHBondContact OD1-CB 3.37Å
30I92.9Very high92.1Very high20 Ų2067.9 Ų67.910%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-133.6153.7-177.665.3167.2000111.8H13 I14 I16 F28 F36 L39 P69H13-I30 CarbonylContact C-O 3.55Å; H13-I30 VanDerWaalsContact CA-O 3.24Å; H13-I30 WeakPolarHBondContact CA-O 3.28Å; I14-I30 PolarHBondContact N-O 2.95Å; I14-I30 PolarHBondContact O-N 3.47Å; I16-I30 HydrophobicContact CD1-CD1 3.52Å; I16-I30 HydrophobicContact CD1-CG1 3.55Å; I16-I30 HydrophobicContact CG1-CG1 4.24Å; F28-I30 HydrophobicContact CB-CG2 4.34Å; I30-F36 HydrophobicContact CD1-CZ 4.48Å; I30-L39 HydrophobicContact CD1-CD1 4.06Å; I30-P69 HydrophobicContact CD1-CG 3.44Å; I30-P69 VanDerWaalsContact CD1-CG 3.44Å; I30-P69 HydrophobicContact CG1-CG 3.89Å
31R93Very high92.2Very high99 Ų9969.6 Ų69.637%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-70.6144.9174.9-64.4176178.7-116.9-7.5110.5E12 H13 S33 T34E12-R31 CarbonylContact O-C 3.51Å; E12-R31 WeakPolarHBondContact O-CA 3.31Å; E12-R31 IonicContact OE1-CZ 3.65Å; E12-R31 IonicContact OE1-NE 3.66Å; E12-R31 IonicContact OE1-NH1 3.68Å; E12-R31 PolarHBondContact OE1-NH1 3.14Å; E12-R31 IonicContact OE2-CZ 2.73Å; E12-R31 IonicContact OE2-NH1 3.99Å; E12-R31 PolarHBondContact OE2-NH1 3.43Å; H13-R31 WeakPolarHBondContact CD2-CG 3.31Å; H13-R31 PolarHBondContact CE1-NE 2.75Å; H13-R31 PolarHBondContact CE1-NH2 2.77Å; H13-R31 WeakPolarHBondContact NE2-CG 3.45Å; H13-R31 PolarHBondContact NE2-NE 3.01Å; R31-S33 PolarHBondContact O-N 3.29Å; R31-S33 VanDerWaalsContact O-N 3.08Å; R31-T34 PolarHBondContact O-N 2.73Å
32K92.6Very high92.6Very high85 Ų8566.2 Ų66.237%0.3734%0.343SS..THydrogen-bonded Turntrans-57.5-24174.1-66-165.2177.3-155.10113.3E12 I14 T68 P69 G70E12-K32 PolarHBondContact O-N 3.32Å; I14-K32 HydrophobicContact CG2-CD 4.28Å; I14-K32 HydrophobicContact CG2-CG 3.97Å; K32-T68 WeakPolarHBondContact O-CB 3.4Å; K32-P69 WeakPolarHBondContact O-CD 3.32Å; K32-G70 PolarHBondContact O-N 3.02Å
33S92.9Very high93Very high76 Ų7658 Ų5853%0.53131%0.305SS..THydrogen-bonded Turntrans-91.4-8.5177.757.10000114.7R31R31-S33 PolarHBondContact O-N 3.29Å; R31-S33 VanDerWaalsContact O-N 3.08Å
34T93Very high93.4Very high28 Ų2855.8 Ų55.817%0.17228%0.281CS..SBendtrans-84.1129.2-176.8-66.20000110.7R31 K38 P69R31-T34 PolarHBondContact O-N 2.73Å; T34-K38 HydrophobicContact CG2-CD 4.07Å; T34-P69 VanDerWaalsContact O-CD 3.29Å; T34-P69 WeakPolarHBondContact O-CD 3.19Å
35P96Very high93.6Very high59 Ų5959.5 Ų59.538%0.38330%0.298SS..  trans-63.1146.4175.7-23.633.6000113.4K37 K38 E65 D67 T68P35-K37 PolarHBondContact O-N 2.78Å; P35-K37 VanDerWaalsContact O-N 3.09Å; P35-K38 PolarHBondContact O-N 2.79Å; P35-E65 WeakPolarHBondContact CB-O 3.4Å; P35-D67 CarbonylContact C-O 3.53Å; P35-D67 VanDerWaalsContact CA-O 3.27Å; P35-D67 WeakPolarHBondContact CA-O 3.45Å; P35-T68 HydrophobicContact CG-CG2 4.41Å
36F95.5Very high93.6Very high0 Ų063.9 Ų63.90%031%0.309CS..THydrogen-bonded Turntrans-61.1-18179.2-97-93.8000113.7I16 I30 K38 L39 I40 V63 E65 D67 P69 L72 M74 V80I16-F36 HydrophobicContact CD1-CZ 3.9Å; I30-F36 HydrophobicContact CD1-CZ 4.48Å; F36-K38 PolarHBondContact O-N 2.85Å; F36-K38 VanDerWaalsContact O-N 3.07Å; F36-L39 HydrophobicContact CD1-CB 4.26Å; F36-L39 HydrophobicContact CD1-CD1 4.08Å; F36-L39 HydrophobicContact CD1-CD2 4.01Å; F36-L39 HydrophobicContact CD1-CG 4.35Å; F36-L39 HydrophobicContact CE1-CD1 3.73Å; F36-L39 HydrophobicContact CE1-CD2 4.19Å; F36-L39 HydrophobicContact CE1-CG 4.44Å; F36-L39 WeakPolarHBondContact O-CA 3.49Å; F36-L39 WeakPolarHBondContact O-CB 3.49Å; F36-L39 PolarHBondContact O-N 3.43Å; F36-I40 HydrophobicContact CB-CD1 4.33Å; F36-I40 WeakPolarHBondContact O-CG1 3.45Å; F36-I40 PolarHBondContact O-N 3.14Å; F36-V63 HydrophobicContact CB-CG1 4.03Å; F36-V63 HydrophobicContact CD1-CG1 3.72Å; F36-V63 HydrophobicContact CD2-CG1 3.96Å; F36-V63 HydrophobicContact CE1-CG1 4.16Å; F36-V63 HydrophobicContact CE2-CG1 4.37Å; F36-V63 HydrophobicContact CG-CG1 3.62Å; F36-V63 HydrophobicContact CZ-CG1 4.49Å; F36-E65 PolarHBondContact N-O 3.42Å; F36-D67 WeakPolarHBondContact CD2-O 3.19Å; F36-D67 PolarHBondContact N-O 3Å; F36-P69 HydrophobicContact CE2-CB 4.4Å; F36-P69 HydrophobicContact CE2-CG 3.79Å; F36-P69 HydrophobicContact CZ-CG 4.34Å; F36-L72 HydrophobicContact CE2-CD1 4.14Å; F36-M74 HydrophobicContact CE2-CE 4.23Å; F36-M74 HydrophobicContact CE2-SD 3.75Å; F36-M74 HydrophobicContact CZ-CE 3.64Å; F36-M74 HydrophobicContact CZ-SD 3.47Å; F36-M74 WeakPolarHBondContact CZ-SD 3.46Å; F36-V80 HydrophobicContact CE1-CG2 4.13Å; F36-V80 HydrophobicContact CZ-CG2 4.32Å
37K95.5Very high93.3Very high108 Ų10867 Ų6747%0.4733%0.325SS..Hα-helixtrans-44.1-43.9174.1-168.6-177.7-170.3860113.5P35 T41 E65P35-K37 PolarHBondContact O-N 2.78Å; P35-K37 VanDerWaalsContact O-N 3.09Å; K37-T41 WeakPolarHBondContact O-CB 3.35Å; K37-T41 PolarHBondContact O-N 2.93Å; K37-T41 PolarHBondContact O-OG1 3.07Å; K37-E65 HydrophobicContact CB-CB 3.98Å; K37-E65 WeakPolarHBondContact CB-O 3.37Å; K37-E65 HydrophobicContact CG-CB 4.32Å; K37-E65 PolarHBondContact N-O 2.96Å; K37-E65 IonicContact NZ-OE2 3.93Å; K37-E65 PolarHBondContact NZ-OE2 2.67Å
38K93.1Very high93.1Very high156 Ų15664.6 Ų64.668%0.67833%0.333SS*.Hα-helixtrans-68.3-42.4179.4-74.5-172.7178.4177.80112.3T34 P35 F36 A42T34-K38 HydrophobicContact CG2-CD 4.07Å; P35-K38 PolarHBondContact O-N 2.79Å; F36-K38 PolarHBondContact O-N 2.85Å; F36-K38 VanDerWaalsContact O-N 3.07Å; K38-A42 VanDerWaalsContact O-CB 3.3Å; K38-A42 WeakPolarHBondContact O-CB 3.44Å; K38-A42 PolarHBondContact O-N 3.09Å
39L94.2Very high92.8Very high3 Ų365.7 Ų65.72%0.01634%0.342CS..Hα-helixtrans-65.4-47.1178180156.4000110.6I16 V18 F28 I30 F36 T41 A42 Y43 F56I16-L39 HydrophobicContact CD1-CD1 4.49Å; V18-L39 HydrophobicContact CG2-CD1 4.09Å; V18-L39 HydrophobicContact CG2-CD2 3.9Å; V18-L39 HydrophobicContact CG2-CG 4.31Å; F28-L39 HydrophobicContact CB-CD1 3.97Å; F28-L39 HydrophobicContact CD1-CG 4.29Å; F28-L39 HydrophobicContact CD2-CD1 4.14Å; F28-L39 HydrophobicContact CD2-CG 4.06Å; F28-L39 HydrophobicContact CE2-CG 4.28Å; F28-L39 HydrophobicContact CG-CD1 4Å; F28-L39 HydrophobicContact CG-CG 4.04Å; I30-L39 HydrophobicContact CD1-CD1 4.06Å; F36-L39 HydrophobicContact CD1-CB 4.26Å; F36-L39 HydrophobicContact CD1-CD1 4.08Å; F36-L39 HydrophobicContact CD1-CD2 4.01Å; F36-L39 HydrophobicContact CD1-CG 4.35Å; F36-L39 HydrophobicContact CE1-CD1 3.73Å; F36-L39 HydrophobicContact CE1-CD2 4.19Å; F36-L39 HydrophobicContact CE1-CG 4.44Å; F36-L39 WeakPolarHBondContact O-CA 3.49Å; F36-L39 WeakPolarHBondContact O-CB 3.49Å; F36-L39 PolarHBondContact O-N 3.43Å; L39-T41 PolarHBondContact O-N 2.81Å; L39-A42 PolarHBondContact O-N 2.94Å; L39-Y43 VanDerWaalsContact O-CB 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.36Å; L39-Y43 PolarHBondContact O-N 2.85Å; L39-F56 HydrophobicContact CD2-CD1 4.34Å; L39-F56 HydrophobicContact CD2-CE1 3.97Å
40I94.1Very high92.6Very high13 Ų1364.3 Ų64.37%0.06734%0.341CS..Hα-helixtrans-58.7-48.6177.9-68173.9000110.6F36 Y43 C44 Q51 F56 E65F36-I40 HydrophobicContact CB-CD1 4.33Å; F36-I40 WeakPolarHBondContact O-CG1 3.45Å; F36-I40 PolarHBondContact O-N 3.14Å; I40-Y43 PolarHBondContact O-N 2.87Å; I40-C44 WeakPolarHBondContact O-CB 3.39Å; I40-C44 PolarHBondContact O-N 2.79Å; I40-C44 PolarHBondContact O-SG 3.26Å; I40-Q51 HydrophobicContact CG2-CB 4.49Å; I40-Q51 HydrophobicContact CG2-CG 4.05Å; I40-F56 HydrophobicContact CB-CE2 4.11Å; I40-F56 HydrophobicContact CB-CZ 4.27Å; I40-F56 HydrophobicContact CD1-CD2 4.09Å; I40-F56 HydrophobicContact CD1-CE2 4.37Å; I40-F56 HydrophobicContact CG1-CD1 4.42Å; I40-F56 HydrophobicContact CG1-CD2 3.8Å; I40-F56 HydrophobicContact CG1-CE1 4.31Å; I40-F56 HydrophobicContact CG1-CE2 3.7Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 3.96Å; I40-F56 HydrophobicContact CG2-CD2 4.47Å; I40-F56 HydrophobicContact CG2-CE2 3.77Å; I40-F56 HydrophobicContact CG2-CZ 4.25Å; I40-E65 HydrophobicContact CD1-CB 4.24Å
41T94.2Very high92.5Very high42 Ų4267 Ų6726%0.25835%0.353SS..Hα-helixtrans-61.1-49.4178.9-54.60000110.9K37 L39 Y43 C44 D45 Q51K37-T41 WeakPolarHBondContact O-CB 3.35Å; K37-T41 PolarHBondContact O-N 2.93Å; K37-T41 PolarHBondContact O-OG1 3.07Å; L39-T41 PolarHBondContact O-N 2.81Å; T41-Y43 VanDerWaalsContact C-N 3.33Å; T41-Y43 PolarHBondContact O-N 2.81Å; T41-C44 PolarHBondContact O-N 2.83Å; T41-D45 WeakPolarHBondContact O-CB 3.42Å; T41-D45 PolarHBondContact O-N 3.46Å; T41-Q51 PolarHBondContact OG1-NE2 2.94Å
42A93.7Very high92.3Very high42 Ų4266.2 Ų66.235%0.34736%0.363SS..Hα-helixtrans-63.6-36.7-18000000113.2F28 K38 L39 R46F28-A42 HydrophobicContact CE1-CB 3.86Å; F28-A42 HydrophobicContact CZ-CB 4.34Å; K38-A42 VanDerWaalsContact O-CB 3.3Å; K38-A42 WeakPolarHBondContact O-CB 3.44Å; K38-A42 PolarHBondContact O-N 3.09Å; L39-A42 PolarHBondContact O-N 2.94Å; A42-R46 VanDerWaalsContact O-CB 3.25Å; A42-R46 WeakPolarHBondContact O-CB 3.33Å; A42-R46 PolarHBondContact O-N 3.21Å; A42-R46 VanDerWaalsContact O-N 3.1Å
43Y93.3Very high92.2Very high7 Ų764.1 Ų64.13%0.02736%0.362CS..Hα-helixtrans-64.2-48.1174.3-179.6-89.1000111.2V18 I26 F28 L39 I40 T41 R46 L47 F56 V82V18-Y43 HydrophobicContact CB-CD2 4.24Å; V18-Y43 HydrophobicContact CB-CE2 4.32Å; V18-Y43 HydrophobicContact CG1-CD2 3.5Å; V18-Y43 VanDerWaalsContact CG1-CD2 3.5Å; V18-Y43 HydrophobicContact CG1-CE2 3.45Å; V18-Y43 VanDerWaalsContact CG1-CE2 3.45Å; V18-Y43 HydrophobicContact CG1-CG 4.34Å; I26-Y43 HydrophobicContact CD1-CD2 3.81Å; I26-Y43 HydrophobicContact CD1-CE2 3.84Å; I26-Y43 HydrophobicContact CG1-CE2 4.44Å; F28-Y43 HydrophobicContact CE2-CD2 4.4Å; L39-Y43 VanDerWaalsContact O-CB 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.36Å; L39-Y43 PolarHBondContact O-N 2.85Å; I40-Y43 PolarHBondContact O-N 2.87Å; T41-Y43 VanDerWaalsContact C-N 3.33Å; T41-Y43 PolarHBondContact O-N 2.81Å; Y43-R46 PolarHBondContact O-N 3.44Å; Y43-L47 HydrophobicContact CD1-CD1 4.17Å; Y43-L47 HydrophobicContact CE1-CD1 3.43Å; Y43-L47 VanDerWaalsContact CE1-CD1 3.43Å; Y43-L47 HydrophobicContact CE1-CG 4.44Å; Y43-L47 HydrophobicContact CE2-CD1 3.96Å; Y43-L47 PolarHBondContact O-N 3.49Å; Y43-L47 VanDerWaalsContact O-N 3.13Å; Y43-L47 WeakPolarHBondContact OH-CD1 3.48Å; Y43-F56 HydrophobicContact CD1-CE1 4.09Å; Y43-F56 AromaticContact CD1-CZ 3.62Å; Y43-F56 HydrophobicContact CD1-CZ 3.62Å; Y43-F56 HydrophobicContact CE1-CZ 4.23Å; Y43-F56 HydrophobicContact CG-CE1 4.11Å; Y43-F56 AromaticContact CG-CZ 3.97Å; Y43-F56 HydrophobicContact CG-CZ 3.97Å; Y43-V82 HydrophobicContact CE1-CB 4.29Å; Y43-V82 HydrophobicContact CE1-CG1 3.75Å; Y43-V82 HydrophobicContact CE1-CG2 4.13Å; Y43-V82 HydrophobicContact CE2-CG2 4.18Å
44C92.1Very high92.1Very high1 Ų161.1 Ų61.11%0.00734%0.34CS..Hα-helixtrans-64-45-179.9-68.20000112.1I40 T41 R46 L47 G48 V49 Q51I40-C44 WeakPolarHBondContact O-CB 3.39Å; I40-C44 PolarHBondContact O-N 2.79Å; I40-C44 PolarHBondContact O-SG 3.26Å; T41-C44 PolarHBondContact O-N 2.83Å; C44-R46 VanDerWaalsContact C-N 3.29Å; C44-R46 PolarHBondContact O-N 3.1Å; C44-L47 PolarHBondContact O-N 2.83Å; C44-G48 WeakPolarHBondContact O-CA 3.44Å; C44-G48 PolarHBondContact O-N 3.02Å; C44-V49 HydrophobicContact CB-CG2 4.19Å; C44-V49 WeakPolarHBondContact CB-O 3.22Å; C44-V49 PolarHBondContact O-N 2.83Å; C44-Q51 HydrophobicContact CB-CG 4.02Å
45D92.9Very high92.1Very high120 Ų12066.6 Ų66.664%0.64236%0.358SS*.Hα-helixtrans-61.1-39.1176.9-69.7-14.1000111.6T41 G48T41-D45 WeakPolarHBondContact O-CB 3.42Å; T41-D45 PolarHBondContact O-N 3.46Å; D45-G48 PolarHBondContact O-N 2.79Å
46R90.4Very high92.1Very high182 Ų18264.1 Ų64.169%0.68734%0.341SS*.Hα-helixtrans-70.1-32.6-179.8-176.7162.9178.4173.82.5113.3A42 Y43 C44A42-R46 VanDerWaalsContact O-CB 3.25Å; A42-R46 WeakPolarHBondContact O-CB 3.33Å; A42-R46 PolarHBondContact O-N 3.21Å; A42-R46 VanDerWaalsContact O-N 3.1Å; Y43-R46 PolarHBondContact O-N 3.44Å; C44-R46 VanDerWaalsContact C-N 3.29Å; C44-R46 PolarHBondContact O-N 3.1Å
47L88.3Confident92.1Very high79 Ų7966.6 Ų66.641%0.41435%0.352SS..Hα-helixtrans-93.9-8.8177-63.8-175000113.3Y43 C44 V49Y43-L47 HydrophobicContact CD1-CD1 4.17Å; Y43-L47 HydrophobicContact CE1-CD1 3.43Å; Y43-L47 VanDerWaalsContact CE1-CD1 3.43Å; Y43-L47 HydrophobicContact CE1-CG 4.44Å; Y43-L47 HydrophobicContact CE2-CD1 3.96Å; Y43-L47 PolarHBondContact O-N 3.49Å; Y43-L47 VanDerWaalsContact O-N 3.13Å; Y43-L47 WeakPolarHBondContact OH-CD1 3.48Å; C44-L47 PolarHBondContact O-N 2.83Å; L47-V49 VanDerWaalsContact C-N 3.28Å; L47-V49 HydrophobicContact CB-CG1 4.1Å; L47-V49 HydrophobicContact CB-CG2 4.12Å; L47-V49 PolarHBondContact O-N 2.8Å
48G89.5Confident92.1Very high71 Ų7162.9 Ų62.973%0.73234%0.336SS*.THydrogen-bonded Turntrans66.728.7-17500000113.3C44 D45C44-G48 WeakPolarHBondContact O-CA 3.44Å; C44-G48 PolarHBondContact O-N 3.02Å; D45-G48 PolarHBondContact O-N 2.79Å
49V88.6Confident92.1Very high55 Ų5562.1 Ų62.133%0.33334%0.339SS..  trans-104.5153.6-179.6-60.10000111.2C44 L47 V54C44-V49 HydrophobicContact CB-CG2 4.19Å; C44-V49 WeakPolarHBondContact CB-O 3.22Å; C44-V49 PolarHBondContact O-N 2.83Å; L47-V49 VanDerWaalsContact C-N 3.28Å; L47-V49 HydrophobicContact CB-CG1 4.1Å; L47-V49 HydrophobicContact CB-CG2 4.12Å; L47-V49 PolarHBondContact O-N 2.8Å; V49-V54 HydrophobicContact CG2-CG1 4.07Å
50N89.9Confident92Very high105 Ų10564.9 Ų64.956%0.56137%0.368SS*.  trans-76.9140.2174.1-163.9-50.2000110.3S52 A53N50-S52 PolarHBondContact O-N 2.96Å; N50-S52 PolarHBondContact OD1-N 2.8Å; N50-S52 PolarHBondContact OD1-OG 3.44Å; N50-S52 VanDerWaalsContact OD1-OG 3.07Å; N50-A53 HydrophobicContact CB-CB 4.24Å; N50-A53 WeakPolarHBondContact O-CA 3.37Å; N50-A53 VanDerWaalsContact O-CB 3.31Å; N50-A53 WeakPolarHBondContact O-CB 3.24Å; N50-A53 PolarHBondContact O-N 3.08Å
51Q89.5Confident92Very high76 Ų7669.3 Ų69.336%0.35539%0.392SS..G310 helixtrans-56.3-32.9174.7-64.6-175.317.600112.4I40 T41 C44 A53 V54I40-Q51 HydrophobicContact CG2-CB 4.49Å; I40-Q51 HydrophobicContact CG2-CG 4.05Å; T41-Q51 PolarHBondContact OG1-NE2 2.94Å; C44-Q51 HydrophobicContact CB-CG 4.02Å; Q51-A53 PolarHBondContact O-N 2.82Å; Q51-V54 PolarHBondContact O-N 2.76Å; Q51-V54 VanDerWaalsContact O-O 3.11Å
52S89.4Confident92Very high83 Ų8370.1 Ų70.158%0.5840%0.399SS*.G310 helixtrans-70.2-18.9176.368.30000113.5N50 A85N50-S52 PolarHBondContact O-N 2.96Å; N50-S52 PolarHBondContact OD1-N 2.8Å; N50-S52 PolarHBondContact OD1-OG 3.44Å; N50-S52 VanDerWaalsContact OD1-OG 3.07Å; S52-A85 VanDerWaalsContact O-CB 3.29Å; S52-A85 WeakPolarHBondContact O-CB 3.42Å
53A89.6Confident92.1Very high41 Ų4168.6 Ų68.634%0.33939%0.386SS..G310 helixtrans-88.9-1.6-178.800000112.9N50 Q51 Q84 A85N50-A53 HydrophobicContact CB-CB 4.24Å; N50-A53 WeakPolarHBondContact O-CA 3.37Å; N50-A53 VanDerWaalsContact O-CB 3.31Å; N50-A53 WeakPolarHBondContact O-CB 3.24Å; N50-A53 PolarHBondContact O-N 3.08Å; Q51-A53 PolarHBondContact O-N 2.82Å; A53-Q84 CarbonylContact O-C 3.51Å; A53-Q84 VanDerWaalsContact O-CA 3.31Å; A53-Q84 WeakPolarHBondContact O-CA 3.47Å; A53-A85 PolarHBondContact O-N 2.9Å
54V92Very high92.2Very high12 Ų1273.3 Ų73.37%0.07341%0.408CS..EExtended strand (participates in β ladder)trans-133.3152.5179.5-68.10000111.8V49 Q51 F56 V82 F83V49-V54 HydrophobicContact CG2-CG1 4.07Å; Q51-V54 PolarHBondContact O-N 2.76Å; Q51-V54 VanDerWaalsContact O-O 3.11Å; V54-F56 HydrophobicContact CB-CE2 4.41Å; V54-F56 HydrophobicContact CG2-CE2 3.73Å; V54-F56 HydrophobicContact CG2-CZ 4.37Å; V54-V82 HydrophobicContact CB-CG1 3.85Å; V54-V82 HydrophobicContact CG1-CG1 4.06Å; V54-F83 CarbonylContact C-O 3.48Å; V54-F83 VanDerWaalsContact CA-O 3.28Å; V54-F83 WeakPolarHBondContact CA-O 3.3Å
55R93.3Very high92.3Very high143 Ų14377.5 Ų77.554%0.5443%0.427SS..EExtended strand (participates in β ladder)trans-132.3133.7175.6-63.5-64179.1144.8-0.6108.8F57 V82 F83 A85R55-F57 HydrophobicContact CB-CD2 4.34Å; R55-F57 HydrophobicContact CB-CE2 3.64Å; R55-F57 HydrophobicContact CB-CZ 4.48Å; R55-V82 WeakPolarHBondContact O-CA 3.41Å; R55-F83 PolarHBondContact N-O 3.26Å; R55-F83 PolarHBondContact O-N 2.75Å; R55-A85 HydrophobicContact CG-CB 4.26Å
56F94.9Very high92.4Very high7 Ų777 Ų773%0.03143%0.428CS..EExtended strand (participates in β ladder)trans-101.7136.9-178.3-67.5-103.7000108.7V18 L39 I40 Y43 V54 V63 V80 E81 V82V18-F56 HydrophobicContact CG1-CD1 4.44Å; V18-F56 HydrophobicContact CG1-CE1 4.01Å; L39-F56 HydrophobicContact CD2-CD1 4.34Å; L39-F56 HydrophobicContact CD2-CE1 3.97Å; I40-F56 HydrophobicContact CB-CE2 4.11Å; I40-F56 HydrophobicContact CB-CZ 4.27Å; I40-F56 HydrophobicContact CD1-CD2 4.09Å; I40-F56 HydrophobicContact CD1-CE2 4.37Å; I40-F56 HydrophobicContact CG1-CD1 4.42Å; I40-F56 HydrophobicContact CG1-CD2 3.8Å; I40-F56 HydrophobicContact CG1-CE1 4.31Å; I40-F56 HydrophobicContact CG1-CE2 3.7Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 3.96Å; I40-F56 HydrophobicContact CG2-CD2 4.47Å; I40-F56 HydrophobicContact CG2-CE2 3.77Å; I40-F56 HydrophobicContact CG2-CZ 4.25Å; Y43-F56 HydrophobicContact CD1-CE1 4.09Å; Y43-F56 AromaticContact CD1-CZ 3.62Å; Y43-F56 HydrophobicContact CD1-CZ 3.62Å; Y43-F56 HydrophobicContact CE1-CZ 4.23Å; Y43-F56 HydrophobicContact CG-CE1 4.11Å; Y43-F56 AromaticContact CG-CZ 3.97Å; Y43-F56 HydrophobicContact CG-CZ 3.97Å; V54-F56 HydrophobicContact CB-CE2 4.41Å; V54-F56 HydrophobicContact CG2-CE2 3.73Å; V54-F56 HydrophobicContact CG2-CZ 4.37Å; F56-V63 HydrophobicContact CB-CB 3.97Å; F56-V63 PolarHBondContact O-N 2.58Å; F56-V80 HydrophobicContact CB-CG1 4.05Å; F56-V80 HydrophobicContact CD1-CG1 3.84Å; F56-V80 HydrophobicContact CG-CG1 4.46Å; F56-E81 CarbonylContact C-O 3.59Å; F56-E81 WeakPolarHBondContact CA-O 3.33Å; F56-V82 HydrophobicContact CD1-CG2 3.57Å; F56-V82 HydrophobicContact CE1-CG1 4.36Å; F56-V82 HydrophobicContact CE1-CG2 3.49Å; F56-V82 VanDerWaalsContact CE1-CG2 3.49Å; F56-V82 HydrophobicContact CE2-CG1 4.49Å; F56-V82 HydrophobicContact CG-CG2 4.36Å; F56-V82 HydrophobicContact CZ-CG1 4.3Å; F56-V82 HydrophobicContact CZ-CG2 4.22Å
57F95.5Very high92.7Very high52 Ų5269.9 Ų69.923%0.22840%0.404CS..EExtended strand (participates in β ladder)trans-130.1140.9178.9-70.4-100.3000110.3R55 N61 S62 V80 E81 F83R55-F57 HydrophobicContact CB-CD2 4.34Å; R55-F57 HydrophobicContact CB-CE2 3.64Å; R55-F57 HydrophobicContact CB-CZ 4.48Å; F57-N61 CarbonylContact C-O 3.47Å; F57-N61 WeakPolarHBondContact CA-O 3.32Å; F57-S62 VanDerWaalsContact CE1-OG 3.31Å; F57-S62 WeakPolarHBondContact CE1-OG 3.37Å; F57-V80 CarbonylContact O-C 3.53Å; F57-V80 WeakPolarHBondContact O-CA 3.31Å; F57-V80 WeakPolarHBondContact O-CG1 3.35Å; F57-E81 HydrophobicContact CB-CB 4.46Å; F57-E81 PolarHBondContact N-O 3.21Å; F57-E81 PolarHBondContact O-N 2.64Å; F57-F83 HydrophobicContact CB-CE2 4.35Å; F57-F83 AromaticContact CD2-CD2 3.49Å; F57-F83 HydrophobicContact CD2-CD2 3.49Å; F57-F83 VanDerWaalsContact CD2-CD2 3.49Å; F57-F83 AromaticContact CD2-CE2 3.97Å; F57-F83 HydrophobicContact CD2-CE2 3.97Å; F57-F83 HydrophobicContact CD2-CG 4.48Å; F57-F83 AromaticContact CE2-CD2 3.91Å; F57-F83 HydrophobicContact CE2-CD2 3.91Å; F57-F83 HydrophobicContact CG-CD2 4.28Å; F57-F83 HydrophobicContact CG-CE2 4.33Å
58F96Very high93Very high31 Ų3167.5 Ų67.514%0.13639%0.393CS..EExtended strand (participates in β ladder)trans-131.9124.2171.4174.5-111.6000108.1G60 N61 V63 L72 M74 D78 T79F58-G60 PolarHBondContact O-N 3.06Å; F58-N61 PolarHBondContact N-O 2.88Å; F58-N61 WeakPolarHBondContact O-CB 3.49Å; F58-N61 PolarHBondContact O-N 2.74Å; F58-V63 HydrophobicContact CB-CG2 3.59Å; F58-L72 HydrophobicContact CD1-CB 4.18Å; F58-L72 HydrophobicContact CE1-CB 4.4Å; F58-L72 WeakPolarHBondContact CE1-O 3.29Å; F58-M74 HydrophobicContact CB-CE 3.63Å; F58-M74 HydrophobicContact CD1-CE 3.77Å; F58-M74 HydrophobicContact CD1-CG 4.12Å; F58-M74 HydrophobicContact CD2-CE 3.29Å; F58-M74 HydrophobicContact CD2-CG 4.35Å; F58-M74 HydrophobicContact CE1-CE 4.23Å; F58-M74 HydrophobicContact CE1-CG 3.72Å; F58-M74 HydrophobicContact CE2-CE 3.82Å; F58-M74 HydrophobicContact CE2-CG 3.97Å; F58-M74 HydrophobicContact CG-CE 3.25Å; F58-M74 HydrophobicContact CG-CG 4.41Å; F58-M74 HydrophobicContact CZ-CB 4.49Å; F58-M74 HydrophobicContact CZ-CE 4.26Å; F58-M74 HydrophobicContact CZ-CG 3.63Å; F58-D78 HydrophobicContact CE2-CB 3.9Å; F58-D78 WeakPolarHBondContact CE2-OD2 3.36Å; F58-D78 VanDerWaalsContact CZ-OD2 3.3Å; F58-D78 WeakPolarHBondContact CZ-OD2 3.38Å; F58-T79 WeakPolarHBondContact CD2-O 3.47Å
59D93.4Very high93.2Very high139 Ų13964.1 Ų64.174%0.74336%0.358SS*.THydrogen-bonded Turntrans48.444.2-177.9-155.925.6000113N61D59-N61 PolarHBondContact O-N 2.84Å; D59-N61 PolarHBondContact O-ND2 3.43Å
60G92.1Very high93.4Very high61 Ų6163.3 Ų63.363%0.62936%0.361SS*.THydrogen-bonded Turntrans76.2-7.2-178.100000116F58F58-G60 PolarHBondContact O-N 3.06Å
61N93.9Very high93.6Very high106 Ų10661.8 Ų61.857%0.56736%0.358SS*.EExtended strand (participates in β ladder)trans-95.6141.1179.6-62-62.3000111.5F57 F58 D59 V63F57-N61 CarbonylContact C-O 3.47Å; F57-N61 WeakPolarHBondContact CA-O 3.32Å; F58-N61 PolarHBondContact N-O 2.88Å; F58-N61 WeakPolarHBondContact O-CB 3.49Å; F58-N61 PolarHBondContact O-N 2.74Å; D59-N61 PolarHBondContact O-N 2.84Å; D59-N61 PolarHBondContact O-ND2 3.43Å; N61-V63 PolarHBondContact O-N 3.32Å
62S93.9Very high93.9Very high59 Ų5960.1 Ų60.141%0.41335%0.352SS..EExtended strand (participates in β ladder)trans-65.6130.6173.7-72.70000111F57F57-S62 VanDerWaalsContact CE1-OG 3.31Å; F57-S62 WeakPolarHBondContact CE1-OG 3.37Å
63V95.8Very high94Very high11 Ų1164.3 Ų64.37%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-94.1123.3174.31780000109.2F36 F56 F58 N61 D67 L72F36-V63 HydrophobicContact CB-CG1 4.03Å; F36-V63 HydrophobicContact CD1-CG1 3.72Å; F36-V63 HydrophobicContact CD2-CG1 3.96Å; F36-V63 HydrophobicContact CE1-CG1 4.16Å; F36-V63 HydrophobicContact CE2-CG1 4.37Å; F36-V63 HydrophobicContact CG-CG1 3.62Å; F36-V63 HydrophobicContact CZ-CG1 4.49Å; F56-V63 HydrophobicContact CB-CB 3.97Å; F56-V63 PolarHBondContact O-N 2.58Å; F58-V63 HydrophobicContact CB-CG2 3.59Å; N61-V63 PolarHBondContact O-N 3.32Å; V63-D67 HydrophobicContact CG1-CB 4.43Å; V63-L72 HydrophobicContact CB-CD1 4.49Å; V63-L72 HydrophobicContact CG1-CD1 4.04Å; V63-L72 HydrophobicContact CG2-CD1 3.86Å
64H94.9Very high94.2Very high106 Ų10662.5 Ų62.549%0.49135%0.347SS..PPolyproline II helixtrans-95.1158.6175.9-63.5-81.9000111.6T66 D67H64-T66 PolarHBondContact O-N 2.72Å; H64-D67 WeakPolarHBondContact CA-OD2 3.27Å; H64-D67 WeakPolarHBondContact CB-OD2 3.39Å; H64-D67 IonicContact CD2-OD2 2.72Å; H64-D67 IonicContact CG-OD2 2.68Å; H64-D67 PolarHBondContact N-OD2 2.84Å; H64-D67 WeakPolarHBondContact O-CB 3.42Å; H64-D67 PolarHBondContact O-N 2.68Å
65E94.7Very high94.2Very high88 Ų8868.5 Ų68.541%0.41137%0.374SS..THydrogen-bonded Turntrans-64.9-21.9-179.553173.3152.300114.1P35 F36 K37 I40P35-E65 WeakPolarHBondContact CB-O 3.4Å; F36-E65 PolarHBondContact N-O 3.42Å; K37-E65 HydrophobicContact CB-CB 3.98Å; K37-E65 WeakPolarHBondContact CB-O 3.37Å; K37-E65 HydrophobicContact CG-CB 4.32Å; K37-E65 PolarHBondContact N-O 2.96Å; K37-E65 IonicContact NZ-OE2 3.93Å; K37-E65 PolarHBondContact NZ-OE2 2.67Å; I40-E65 HydrophobicContact CD1-CB 4.24Å
66T95.6Very high94.2Very high109 Ų10965.8 Ų65.867%0.66937%0.367SS*.THydrogen-bonded Turntrans-84.8-17.4174.849.70000113.5H64H64-T66 PolarHBondContact O-N 2.72Å
67D96.1Very high94Very high33 Ų3369.2 Ų69.218%0.17639%0.386CS..  trans-68.1153.5179.7-62.6-27000109.9P35 F36 V63 H64 L72P35-D67 CarbonylContact C-O 3.53Å; P35-D67 VanDerWaalsContact CA-O 3.27Å; P35-D67 WeakPolarHBondContact CA-O 3.45Å; F36-D67 WeakPolarHBondContact CD2-O 3.19Å; F36-D67 PolarHBondContact N-O 3Å; V63-D67 HydrophobicContact CG1-CB 4.43Å; H64-D67 WeakPolarHBondContact CA-OD2 3.27Å; H64-D67 WeakPolarHBondContact CB-OD2 3.39Å; H64-D67 IonicContact CD2-OD2 2.72Å; H64-D67 IonicContact CG-OD2 2.68Å; H64-D67 PolarHBondContact N-OD2 2.84Å; H64-D67 WeakPolarHBondContact O-CB 3.42Å; H64-D67 PolarHBondContact O-N 2.68Å; D67-L72 HydrophobicContact CB-CD1 4.01Å; D67-L72 HydrophobicContact CB-CG 4.19Å
68T94.7Very high94Very high29 Ų2968.7 Ų68.718%0.17839%0.386CS..  trans-123.4155.7177.565.20000108.7K32 P35 G70 S71 L72K32-T68 WeakPolarHBondContact O-CB 3.4Å; P35-T68 HydrophobicContact CG-CG2 4.41Å; T68-G70 PolarHBondContact O-N 3.09Å; T68-S71 PolarHBondContact N-OG 2.9Å; T68-S71 PolarHBondContact O-N 3.21Å; T68-S71 VanDerWaalsContact O-N 3.09Å; T68-S71 PolarHBondContact O-OG 3.41Å; T68-S71 WeakPolarHBondContact OG1-CB 3.31Å; T68-S71 PolarHBondContact OG1-N 3.04Å; T68-S71 PolarHBondContact OG1-OG 3.1Å; T68-S71 VanDerWaalsContact OG1-OG 3.04Å; T68-L72 PolarHBondContact O-N 3.1Å; T68-L72 VanDerWaalsContact O-N 3.1Å
69P94.1Very high94Very high0 Ų069.7 Ų69.70%040%0.395CS..THydrogen-bonded Turntrans-59.5-31.9174.6-20.529.5000112.8I14 I16 I30 K32 T34 F36 E73 M74I14-P69 HydrophobicContact CD1-CB 3.43Å; I14-P69 VanDerWaalsContact CD1-CB 3.43Å; I14-P69 HydrophobicContact CD1-CG 4.22Å; I14-P69 HydrophobicContact CG1-CB 4.16Å; I16-P69 HydrophobicContact CD1-CB 4.31Å; I16-P69 HydrophobicContact CD1-CG 3.93Å; I30-P69 HydrophobicContact CD1-CG 3.44Å; I30-P69 VanDerWaalsContact CD1-CG 3.44Å; I30-P69 HydrophobicContact CG1-CG 3.89Å; K32-P69 WeakPolarHBondContact O-CD 3.32Å; T34-P69 VanDerWaalsContact O-CD 3.29Å; T34-P69 WeakPolarHBondContact O-CD 3.19Å; F36-P69 HydrophobicContact CE2-CB 4.4Å; F36-P69 HydrophobicContact CE2-CG 3.79Å; F36-P69 HydrophobicContact CZ-CG 4.34Å; P69-E73 PolarHBondContact O-N 3.44Å; P69-M74 HydrophobicContact CB-CB 3.97Å; P69-M74 HydrophobicContact CB-CG 4.45Å; P69-M74 HydrophobicContact CB-SD 3.9Å; P69-M74 HydrophobicContact CG-SD 4.49Å; P69-M74 WeakPolarHBondContact O-CB 3.26Å; P69-M74 PolarHBondContact O-N 2.81Å
70G92.9Very high94.1Very high38 Ų3863.1 Ų63.139%0.39236%0.359SS..THydrogen-bonded Turntrans-66.4-40.2174.100000113.4K32 T68 L72 E73K32-G70 PolarHBondContact O-N 3.02Å; T68-G70 PolarHBondContact O-N 3.09Å; G70-L72 VanDerWaalsContact C-N 3.3Å; G70-L72 PolarHBondContact O-N 3.49Å; G70-E73 PolarHBondContact O-N 2.88Å
71S94.3Very high94.3Very high73 Ų7364.5 Ų64.551%0.5135%0.349SS..THydrogen-bonded Turntrans-73.2-23.517962.40000113.4T68 E73T68-S71 PolarHBondContact N-OG 2.9Å; T68-S71 PolarHBondContact O-N 3.21Å; T68-S71 VanDerWaalsContact O-N 3.09Å; T68-S71 PolarHBondContact O-OG 3.41Å; T68-S71 WeakPolarHBondContact OG1-CB 3.31Å; T68-S71 PolarHBondContact OG1-N 3.04Å; T68-S71 PolarHBondContact OG1-OG 3.1Å; T68-S71 VanDerWaalsContact OG1-OG 3.04Å; S71-E73 VanDerWaalsContact C-N 3.34Å
72L94.1Very high94.3Very high41 Ų4159.7 Ų59.722%0.21532%0.324CS..THydrogen-bonded Turntrans-93.26.8174.2-64.2176.2000112.6F36 F58 V63 D67 T68 G70 M74F36-L72 HydrophobicContact CE2-CD1 4.14Å; F58-L72 HydrophobicContact CD1-CB 4.18Å; F58-L72 HydrophobicContact CE1-CB 4.4Å; F58-L72 WeakPolarHBondContact CE1-O 3.29Å; V63-L72 HydrophobicContact CB-CD1 4.49Å; V63-L72 HydrophobicContact CG1-CD1 4.04Å; V63-L72 HydrophobicContact CG2-CD1 3.86Å; D67-L72 HydrophobicContact CB-CD1 4.01Å; D67-L72 HydrophobicContact CB-CG 4.19Å; T68-L72 PolarHBondContact O-N 3.1Å; T68-L72 VanDerWaalsContact O-N 3.1Å; G70-L72 VanDerWaalsContact C-N 3.3Å; G70-L72 PolarHBondContact O-N 3.49Å; L72-M74 HydrophobicContact CB-CG 4.03Å; L72-M74 HydrophobicContact CB-SD 4.47Å; L72-M74 HydrophobicContact CD1-CE 4.18Å; L72-M74 HydrophobicContact CD1-SD 4.48Å; L72-M74 PolarHBondContact O-N 2.86Å; L72-M74 VanDerWaalsContact O-N 3.14Å
73E92.6Very high94.2Very high172 Ų17260.9 Ų60.980%0.80432%0.322SS*.THydrogen-bonded Turntrans53.631.8-177.9-56.7-170151.700113.9P69 G70 S71P69-E73 PolarHBondContact O-N 3.44Å; G70-E73 PolarHBondContact O-N 2.88Å; S71-E73 VanDerWaalsContact C-N 3.34Å
74M93.4Very high93.8Very high2 Ų266.5 Ų66.51%0.0135%0.347CS..  trans-68141.6-179.1-72.4176.2152.800112.9I14 I16 F36 F58 P69 L72 D78 V80I14-M74 HydrophobicContact CD1-CB 3.71Å; I16-M74 HydrophobicContact CD1-SD 4.06Å; F36-M74 HydrophobicContact CE2-CE 4.23Å; F36-M74 HydrophobicContact CE2-SD 3.75Å; F36-M74 HydrophobicContact CZ-CE 3.64Å; F36-M74 HydrophobicContact CZ-SD 3.47Å; F36-M74 WeakPolarHBondContact CZ-SD 3.46Å; F58-M74 HydrophobicContact CB-CE 3.63Å; F58-M74 HydrophobicContact CD1-CE 3.77Å; F58-M74 HydrophobicContact CD1-CG 4.12Å; F58-M74 HydrophobicContact CD2-CE 3.29Å; F58-M74 HydrophobicContact CD2-CG 4.35Å; F58-M74 HydrophobicContact CE1-CE 4.23Å; F58-M74 HydrophobicContact CE1-CG 3.72Å; F58-M74 HydrophobicContact CE2-CE 3.82Å; F58-M74 HydrophobicContact CE2-CG 3.97Å; F58-M74 HydrophobicContact CG-CE 3.25Å; F58-M74 HydrophobicContact CG-CG 4.41Å; F58-M74 HydrophobicContact CZ-CB 4.49Å; F58-M74 HydrophobicContact CZ-CE 4.26Å; F58-M74 HydrophobicContact CZ-CG 3.63Å; P69-M74 HydrophobicContact CB-CB 3.97Å; P69-M74 HydrophobicContact CB-CG 4.45Å; P69-M74 HydrophobicContact CB-SD 3.9Å; P69-M74 HydrophobicContact CG-SD 4.49Å; P69-M74 WeakPolarHBondContact O-CB 3.26Å; P69-M74 PolarHBondContact O-N 2.81Å; L72-M74 HydrophobicContact CB-CG 4.03Å; L72-M74 HydrophobicContact CB-SD 4.47Å; L72-M74 HydrophobicContact CD1-CE 4.18Å; L72-M74 HydrophobicContact CD1-SD 4.48Å; L72-M74 PolarHBondContact O-N 2.86Å; L72-M74 VanDerWaalsContact O-N 3.14Å; M74-D78 VanDerWaalsContact CA-OD2 3.27Å; M74-D78 WeakPolarHBondContact CA-OD2 3.22Å; M74-V80 HydrophobicContact CE-CG2 3.38Å
75E92.7Very high93.2Very high138 Ų13862.7 Ų62.765%0.64533%0.334SS*.  trans-106.7174.6177.3-61.5-161.7165.800112.8N77 D78E75-N77 PolarHBondContact O-N 2.88Å; E75-D78 PolarHBondContact N-OD2 3.22Å; E75-D78 WeakPolarHBondContact O-CB 3.47Å; E75-D78 PolarHBondContact O-N 2.71Å
76E92.3Very high92Very high86 Ų8667.1 Ų67.140%0.40236%0.355SS..THydrogen-bonded Turntrans-68.8126.5-179.4-178.661-159.200110.5I14 N15I14-E76 VanDerWaalsContact CA-OE2 3.22Å; I14-E76 WeakPolarHBondContact CA-OE2 3.48Å; N15-E76 WeakPolarHBondContact CB-OE1 3.47Å; N15-E76 PolarHBondContact N-OE2 3.29Å; N15-E76 PolarHBondContact ND2-OE1 2.9Å
77N92.1Very high90.3Very high80 Ų8068.2 Ų68.243%0.42836%0.361SS..THydrogen-bonded Turntrans74.515.7-176.5-54.6-67.7000116.6N15 K17 E75N15-N77 VanDerWaalsContact O-CA 3.26Å; N15-N77 WeakPolarHBondContact O-CA 3.38Å; N15-N77 PolarHBondContact O-N 3.19Å; K17-N77 PolarHBondContact NZ-O 3.18Å; K17-N77 VanDerWaalsContact NZ-O 3.1Å; E75-N77 PolarHBondContact O-N 2.88Å
78D95.5Very high88.1Confident41 Ų4169.7 Ų69.722%0.21939%0.385CS..  trans-58.8154.8171.7-86.8-3.1000112.8K17 F58 M74 E75K17-D78 PolarHBondContact N-O 3.06Å; F58-D78 HydrophobicContact CE2-CB 3.9Å; F58-D78 WeakPolarHBondContact CE2-OD2 3.36Å; F58-D78 VanDerWaalsContact CZ-OD2 3.3Å; F58-D78 WeakPolarHBondContact CZ-OD2 3.38Å; M74-D78 VanDerWaalsContact CA-OD2 3.27Å; M74-D78 WeakPolarHBondContact CA-OD2 3.22Å; E75-D78 PolarHBondContact N-OD2 3.22Å; E75-D78 WeakPolarHBondContact O-CB 3.47Å; E75-D78 PolarHBondContact O-N 2.71Å
79T95.5Very high85.6Confident52 Ų5271.7 Ų71.732%0.31941%0.411SS..EExtended strand (participates in β ladder)trans-115.9127.7-175.9-54.60000111K17 Q19 F58K17-T79 HydrophobicContact CB-CG2 4.37Å; K17-T79 CarbonylContact O-C 3.54Å; K17-T79 VanDerWaalsContact O-CA 3.32Å; K17-T79 WeakPolarHBondContact O-CA 3.46Å; Q19-T79 HydrophobicContact CB-CG2 4.02Å; F58-T79 WeakPolarHBondContact CD2-O 3.47Å
80V96Very high82.8Confident0 Ų083.7 Ų83.70%047%0.474CS..EExtended strand (participates in β ladder)trans-104.9124171.3176.60000107.9I16 K17 V18 Q19 F36 F56 F57 M74I16-V80 HydrophobicContact CG2-CG2 3.71Å; K17-V80 PolarHBondContact O-N 3.19Å; V18-V80 CarbonylContact C-O 3.52Å; V18-V80 WeakPolarHBondContact CA-O 3.36Å; V18-V80 HydrophobicContact CG2-CB 4.47Å; Q19-V80 PolarHBondContact N-O 2.89Å; F36-V80 HydrophobicContact CE1-CG2 4.13Å; F36-V80 HydrophobicContact CZ-CG2 4.32Å; F56-V80 HydrophobicContact CB-CG1 4.05Å; F56-V80 HydrophobicContact CD1-CG1 3.84Å; F56-V80 HydrophobicContact CG-CG1 4.46Å; F57-V80 CarbonylContact O-C 3.53Å; F57-V80 WeakPolarHBondContact O-CA 3.31Å; F57-V80 WeakPolarHBondContact O-CG1 3.35Å; M74-V80 HydrophobicContact CE-CG2 3.38Å
81E95.1Very high82.3Confident90 Ų9086 Ų8642%0.42148%0.478SS..EExtended strand (participates in β ladder)trans-88.7139.2178-59.7-177.214700110Q19 F56 F57 F83Q19-E81 CarbonylContact O-C 3.56Å; F56-E81 CarbonylContact C-O 3.59Å; F56-E81 WeakPolarHBondContact CA-O 3.33Å; F57-E81 HydrophobicContact CB-CB 4.46Å; F57-E81 PolarHBondContact N-O 3.21Å; F57-E81 PolarHBondContact O-N 2.64Å; E81-F83 HydrophobicContact CB-CD2 4.37Å; E81-F83 HydrophobicContact CB-CE2 3.63Å; E81-F83 HydrophobicContact CB-CZ 4.29Å
82V94.1Very high81.7Confident5 Ų586.6 Ų86.63%0.0348%0.476CS..EExtended strand (participates in β ladder)trans-117.5122.9177.4-170.40000109.5V18 Q19 Q21 Y43 V54 R55 F56V18-V82 HydrophobicContact CG1-CG2 3.33Å; Q19-V82 PolarHBondContact O-N 3.07Å; Q21-V82 WeakPolarHBondContact CG-O 3.27Å; Y43-V82 HydrophobicContact CE1-CB 4.29Å; Y43-V82 HydrophobicContact CE1-CG1 3.75Å; Y43-V82 HydrophobicContact CE1-CG2 4.13Å; Y43-V82 HydrophobicContact CE2-CG2 4.18Å; V54-V82 HydrophobicContact CB-CG1 3.85Å; V54-V82 HydrophobicContact CG1-CG1 4.06Å; R55-V82 WeakPolarHBondContact O-CA 3.41Å; F56-V82 HydrophobicContact CD1-CG2 3.57Å; F56-V82 HydrophobicContact CE1-CG1 4.36Å; F56-V82 HydrophobicContact CE1-CG2 3.49Å; F56-V82 VanDerWaalsContact CE1-CG2 3.49Å; F56-V82 HydrophobicContact CE2-CG1 4.49Å; F56-V82 HydrophobicContact CG-CG2 4.36Å; F56-V82 HydrophobicContact CZ-CG1 4.3Å; F56-V82 HydrophobicContact CZ-CG2 4.22Å
83F91.4Very high81Confident85 Ų8589.2 Ų89.237%0.37349%0.491SS..EExtended strand (participates in β ladder)trans-111143.9175.1-63.5-96.1000110Q21 V54 R55 F57 E81 A85Q21-F83 HydrophobicContact CG-CD1 4.49Å; Q21-F83 VanDerWaalsContact NE2-CA 3.35Å; V54-F83 CarbonylContact C-O 3.48Å; V54-F83 VanDerWaalsContact CA-O 3.28Å; V54-F83 WeakPolarHBondContact CA-O 3.3Å; R55-F83 PolarHBondContact N-O 3.26Å; R55-F83 PolarHBondContact O-N 2.75Å; F57-F83 HydrophobicContact CB-CE2 4.35Å; F57-F83 AromaticContact CD2-CD2 3.49Å; F57-F83 HydrophobicContact CD2-CD2 3.49Å; F57-F83 VanDerWaalsContact CD2-CD2 3.49Å; F57-F83 AromaticContact CD2-CE2 3.97Å; F57-F83 HydrophobicContact CD2-CE2 3.97Å; F57-F83 HydrophobicContact CD2-CG 4.48Å; F57-F83 AromaticContact CE2-CD2 3.91Å; F57-F83 HydrophobicContact CE2-CD2 3.91Å; F57-F83 HydrophobicContact CG-CD2 4.28Å; F57-F83 HydrophobicContact CG-CE2 4.33Å; E81-F83 HydrophobicContact CB-CD2 4.37Å; E81-F83 HydrophobicContact CB-CE2 3.63Å; E81-F83 HydrophobicContact CB-CZ 4.29Å; F83-A85 PolarHBondContact O-N 3.14Å
84Q88.2Confident80.3Confident128 Ų12884.3 Ų84.360%0.59847%0.472SS*.EExtended strand (participates in β ladder)trans-65.8134.2166.7-67.7-169.518.300108.8A53 Q86A53-Q84 CarbonylContact O-C 3.51Å; A53-Q84 VanDerWaalsContact O-CA 3.31Å; A53-Q84 WeakPolarHBondContact O-CA 3.47Å; Q84-Q86 PolarHBondContact O-N 2.86Å
85A82.1Confident79.5Confident26 Ų2689.4 Ų89.422%0.21550%0.501CS..  trans-63.4106.5166.800000106.3S52 A53 R55 F83 T87S52-A85 VanDerWaalsContact O-CB 3.29Å; S52-A85 WeakPolarHBondContact O-CB 3.42Å; A53-A85 PolarHBondContact O-N 2.9Å; R55-A85 HydrophobicContact CG-CB 4.26Å; F83-A85 PolarHBondContact O-N 3.14Å; A85-T87 PolarHBondContact O-N 2.85Å
86Q68.5Low78.6Confident181 Ų18186.2 Ų86.285%0.84649%0.491SS*.  trans-65.492.7173.8-165.9174.614.700107Q84 G88Q84-Q86 PolarHBondContact O-N 2.86Å; Q86-G88 PolarHBondContact O-N 2.85Å
87T60.5Low77.7Confident132 Ų13286.2 Ų86.281%0.8150%0.498SS*.  trans-61.3100.1153.535.40000104.3A85 G89A85-T87 PolarHBondContact O-N 2.85Å; T87-G89 PolarHBondContact O-N 3.43Å
88G49.4Very low76.5Confident65 Ų6586.7 Ų86.767%0.6750%0.503SS*.  trans-42.8116.2178.700000109Q86Q86-G88 PolarHBondContact O-N 2.85Å
89G42.5Very low75Confident70 Ų7090.5 Ų90.572%0.72253%0.527SS*.  trans-59.8137.6169.700000108.3T87T87-G89 PolarHBondContact O-N 3.43Å
90L36.3Very low73.1Confident252 Ų25294 Ų94100%1.31955%0.546SS*.  trans-41.90171-79.9155.7000113.1

Retrieved 90 of 90 residues in 92.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).