G4VI89_SCHMA Loading...

Small nuclear ribonucleoprotein G

Plays a role in pre-mRNA splicing.

AlphaFold DB , UniProt , Accession G4VI89, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 76 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
1M46.8Very low74.8Confident238 Ų238124.9 Ų124.9100%1.17263%0.627SS**  0116.90-72.5-160.5-91.700108.1K3M1-K3 PolarHBondContact O-N 3.39Å
2S59.1Low76.4Confident119 Ų119118.6 Ų118.683%0.83259%0.591SS**PPolyproline II helixtrans-58.6130.617249.70000108.6A4S2-A4 PolarHBondContact O-N 3.05Å; S2-A4 VanDerWaalsContact O-N 3.17Å
3K60.8Low77.8Confident201 Ų201114.2 Ų114.287%0.87457%0.571SS**PPolyproline II helixtrans-54.9126.5170.5-77.5-178.5177.51790107.1M1 H5M1-K3 PolarHBondContact O-N 3.39Å; K3-H5 PolarHBondContact O-N 3.17Å
4A64.6Low79.1Confident71 Ų71113.5 Ų113.559%0.58757%0.569SS**PPolyproline II helixtrans-54.4118.8171.400000107.4S2 Q6S2-A4 PolarHBondContact O-N 3.05Å; S2-A4 VanDerWaalsContact O-N 3.17Å; A4-Q6 PolarHBondContact O-N 3.37Å
5H71.9Confident80.3Confident149 Ų149110.9 Ų110.969%0.6955%0.553SS**PPolyproline II helixtrans-64.7118.2176.2-178.778.9000107K3K3-H5 PolarHBondContact O-N 3.17Å
6Q76.3Confident81.3Confident147 Ų147108.4 Ų108.469%0.68754%0.535SS*.PPolyproline II helixtrans-64.6132.2-179.3-75.3-172.9-17.400109A4 E8A4-Q6 PolarHBondContact O-N 3.37Å; Q6-E8 PolarHBondContact O-N 3.18Å
7P80.4Confident82.2Confident22 Ų22102.1 Ų102.114%0.14350%0.504CS..PPolyproline II helixtrans-57.2133.4176.2-2433.4000111.2L9 F34 M38P7-L9 HydrophobicContact CB-CD1 4.12Å; P7-L9 HydrophobicContact CB-CG 4Å; P7-L9 PolarHBondContact O-N 3.18Å; P7-F34 HydrophobicContact CB-CD2 4.41Å; P7-F34 HydrophobicContact CB-CE2 4.5Å; P7-F34 WeakPolarHBondContact O-CE2 3.29Å; P7-M38 HydrophobicContact CB-CG 3.95Å; P7-M38 HydrophobicContact CG-CB 4.47Å; P7-M38 HydrophobicContact CG-CG 3.35Å; P7-M38 HydrophobicContact CG-SD 4.39Å
8E87.1Confident83.1Confident136 Ų136101.8 Ų101.864%0.63650%0.496SS*.SBendtrans-78.148.4175.9-64.2-169.3173.200112.3Q6Q6-E8 PolarHBondContact O-N 3.18Å
9L91Very high83.8Confident16 Ų1696.5 Ų96.58%0.08447%0.47CS..  trans-87.8-7.5-179.7-67.7178.2000113.3P7 K11 Y12 L31 F34 I40 V70P7-L9 HydrophobicContact CB-CD1 4.12Å; P7-L9 HydrophobicContact CB-CG 4Å; P7-L9 PolarHBondContact O-N 3.18Å; L9-K11 PolarHBondContact O-N 2.86Å; L9-Y12 HydrophobicContact CD2-CD2 4.09Å; L9-Y12 WeakPolarHBondContact O-CA 3.38Å; L9-Y12 WeakPolarHBondContact O-CB 3.49Å; L9-Y12 PolarHBondContact O-N 2.87Å; L9-L31 HydrophobicContact CB-CD2 4.14Å; L9-F34 HydrophobicContact CB-CD1 3.78Å; L9-F34 HydrophobicContact CB-CD2 4.06Å; L9-F34 HydrophobicContact CB-CE1 3.85Å; L9-F34 HydrophobicContact CB-CE2 4.11Å; L9-F34 HydrophobicContact CB-CG 3.9Å; L9-F34 HydrophobicContact CB-CZ 4.02Å; L9-F34 HydrophobicContact CD1-CB 4.1Å; L9-F34 HydrophobicContact CD1-CD2 4.35Å; L9-F34 HydrophobicContact CD1-CG 4.15Å; L9-I40 HydrophobicContact CD1-CD1 3.92Å; L9-I40 HydrophobicContact CD1-CG1 4.23Å; L9-V70 HydrophobicContact CD2-CG1 4.21Å
10K92.3Very high84.5Confident165 Ų16595.3 Ų95.372%0.71746%0.462SS*.G310 helixtrans-56.1-36.9-177.5-168.8176.8-179.2-179.90113Y12 L13 F34K10-Y12 PolarHBondContact O-N 3.21Å; K10-L13 HydrophobicContact CG-CD1 4.02Å; K10-L13 WeakPolarHBondContact O-CG 3.45Å; K10-L13 PolarHBondContact O-N 2.9Å; K10-F34 HydrophobicContact CB-CE1 4.48Å; K10-F34 HydrophobicContact CB-CZ 4.23Å
11K92.1Very high85.1Confident110 Ų11091.2 Ų91.248%0.47844%0.443SS..G310 helixtrans-69.1-14177.768.2-175.2178.9-171.50114.1L9 I76L9-K11 PolarHBondContact O-N 2.86Å; K11-I76 HydrophobicContact CD-CD1 4.2Å; K11-I76 HydrophobicContact CG-CD1 4.34Å
12Y94.4Very high87.5Confident49 Ų4982.9 Ų82.919%0.19240%0.403CS..G310 helixtrans-101.31.2178.8-61.4-85.1000113L9 K10 D14 K15 L17 L31 I76L9-Y12 HydrophobicContact CD2-CD2 4.09Å; L9-Y12 WeakPolarHBondContact O-CA 3.38Å; L9-Y12 WeakPolarHBondContact O-CB 3.49Å; L9-Y12 PolarHBondContact O-N 2.87Å; K10-Y12 PolarHBondContact O-N 3.21Å; Y12-D14 PolarHBondContact O-N 3.47Å; Y12-K15 VanDerWaalsContact O-CB 3.27Å; Y12-K15 WeakPolarHBondContact O-CB 3.47Å; Y12-K15 PolarHBondContact O-N 3.3Å; Y12-L17 HydrophobicContact CD1-CD2 3.66Å; Y12-L17 HydrophobicContact CE1-CD2 4.43Å; Y12-L17 HydrophobicContact CG-CD2 3.99Å; Y12-L31 WeakPolarHBondContact O-CB 3.5Å; Y12-I76 HydrophobicContact CD1-CD1 3.9Å; Y12-I76 HydrophobicContact CD1-CG1 4.38Å; Y12-I76 HydrophobicContact CE1-CD1 3.23Å; Y12-I76 HydrophobicContact CE1-CG1 4.03Å; Y12-I76 HydrophobicContact CE2-CD1 4.33Å; Y12-I76 VanDerWaalsContact CZ-CD1 3.47Å
13L95Very high89.3Confident62 Ų6281 Ų8133%0.32540%0.395SS..THydrogen-bonded Turntrans-57.2137.3174.9-73.4169.7000110K10 K15 L31 F34K10-L13 HydrophobicContact CG-CD1 4.02Å; K10-L13 WeakPolarHBondContact O-CG 3.45Å; K10-L13 PolarHBondContact O-N 2.9Å; L13-K15 PolarHBondContact O-N 3.28Å; L13-K15 VanDerWaalsContact O-N 3.1Å; L13-L31 HydrophobicContact CD2-CD2 4.18Å; L13-L31 HydrophobicContact CD2-CG 4.17Å; L13-F34 HydrophobicContact CD2-CD1 4.29Å; L13-F34 HydrophobicContact CD2-CE1 4.27Å; L13-F34 HydrophobicContact CG-CE1 4.39Å
14D96Very high90.9Very high104 Ų10478.3 Ų78.356%0.55639%0.39SS*.THydrogen-bonded Turntrans58.315.4-174.3-58.2-55.9000114.8Y12 L31 R32Y12-D14 PolarHBondContact O-N 3.47Å; D14-L31 PolarHBondContact N-O 2.74Å; D14-R32 IonicContact OD1-CZ 3.96Å; D14-R32 IonicContact OD1-NH1 3.39Å; D14-R32 PolarHBondContact OD1-NH1 3.1Å
15K96.6Very high92.4Very high74 Ų7480.5 Ų80.532%0.32238%0.383SS..SBendtrans-101.8152.3171.8-56.1-62.2-176.1167.30111Y12 L13 L17 V30 L31 D74Y12-K15 VanDerWaalsContact O-CB 3.27Å; Y12-K15 WeakPolarHBondContact O-CB 3.47Å; Y12-K15 PolarHBondContact O-N 3.3Å; L13-K15 PolarHBondContact O-N 3.28Å; L13-K15 VanDerWaalsContact O-N 3.1Å; K15-L17 PolarHBondContact O-N 3.32Å; K15-V30 WeakPolarHBondContact O-CA 3.18Å; K15-L31 PolarHBondContact O-N 3.21Å; K15-D74 HydrophobicContact CD-CB 4.49Å
16R96.7Very high93.6Very high72 Ų7275 Ų7527%0.27236%0.358SS..EExtended strand (participates in β ladder)trans-74.2125.6173.5-171.1172.3-65.8-79.1-1.5110.2V28 G29 V73 D74R16-V28 HydrophobicContact CG-CG1 3.73Å; R16-G29 WeakPolarHBondContact CA-O 3.5Å; R16-V73 HydrophobicContact CB-CB 4.13Å; R16-V73 HydrophobicContact CG-CB 4.04Å; R16-V73 HydrophobicContact CG-CG1 4.48Å; R16-V73 HydrophobicContact CG-CG2 4.07Å; R16-V73 PolarHBondContact O-N 2.82Å; R16-D74 WeakPolarHBondContact CB-OD2 3.45Å; R16-D74 PolarHBondContact N-OD2 3.4Å
17L96.7Very high94.6Very high0 Ų068.7 Ų68.70%033%0.329CS..EExtended strand (participates in β ladder)trans-113.4144.3175-65.1-174.8000110.5Y12 K15 L19 V28 G29 L31 V70 E71Y12-L17 HydrophobicContact CD1-CD2 3.66Å; Y12-L17 HydrophobicContact CE1-CD2 4.43Å; Y12-L17 HydrophobicContact CG-CD2 3.99Å; K15-L17 PolarHBondContact O-N 3.32Å; L17-L19 HydrophobicContact CB-CD2 4.17Å; L17-L19 HydrophobicContact CD1-CD2 4.44Å; L17-V28 CarbonylContact O-C 3.6Å; L17-V28 VanDerWaalsContact O-CA 3.28Å; L17-V28 WeakPolarHBondContact O-CA 3.48Å; L17-V28 WeakPolarHBondContact O-CG1 3.02Å; L17-G29 PolarHBondContact N-O 3.46Å; L17-G29 PolarHBondContact O-N 2.92Å; L17-L31 HydrophobicContact CD1-CB 3.7Å; L17-L31 HydrophobicContact CD1-CD1 4.16Å; L17-L31 HydrophobicContact CD1-CD2 3.98Å; L17-L31 HydrophobicContact CD1-CG 4.14Å; L17-L31 HydrophobicContact CG-CB 4.14Å; L17-V70 HydrophobicContact CD1-CG1 3.8Å; L17-V70 HydrophobicContact CD2-CG1 4.13Å; L17-V70 HydrophobicContact CG-CG1 4.42Å; L17-E71 CarbonylContact C-O 3.56Å; L17-E71 WeakPolarHBondContact CA-O 3.32Å
18R97.2Very high95.4Very high98 Ų9867.7 Ų67.737%0.3732%0.322SS..EExtended strand (participates in β ladder)trans-103.6120.2164.3167.2179.2-80.1170.5-7.5108.3E26 V28 E71 V73R18-E26 VanDerWaalsContact CD-OE1 3.31Å; R18-E26 WeakPolarHBondContact CD-OE1 3.41Å; R18-E26 HydrophobicContact CG-CG 4.04Å; R18-E26 IonicContact CZ-OE1 2.74Å; R18-E26 VanDerWaalsContact CZ-OE1 3.3Å; R18-E26 IonicContact NE-OE1 3.72Å; R18-E26 PolarHBondContact NE-OE1 3.41Å; R18-E26 IonicContact NH2-OE1 3.81Å; R18-E26 PolarHBondContact NH2-OE1 3.25Å; R18-V28 HydrophobicContact CB-CG2 4.09Å; R18-V28 HydrophobicContact CG-CG2 4.23Å; R18-E71 HydrophobicContact CB-CB 4.18Å; R18-E71 VanDerWaalsContact CD-OE2 3.3Å; R18-E71 WeakPolarHBondContact CD-OE2 2.94Å; R18-E71 PolarHBondContact N-O 2.61Å; R18-E71 PolarHBondContact O-N 2.9Å; R18-V73 HydrophobicContact CB-CG2 3.93Å
19L97.3Very high96Very high0 Ų061.2 Ų61.20%029%0.292CS..EExtended strand (participates in β ladder)trans-107.7112.6-178.7-52.5179.3000108.8L17 L21 E26 V27 I40 V42 V62 V70L17-L19 HydrophobicContact CB-CD2 4.17Å; L17-L19 HydrophobicContact CD1-CD2 4.44Å; L19-L21 HydrophobicContact CB-CD2 4.03Å; L19-E26 WeakPolarHBondContact O-CA 3.48Å; L19-V27 WeakPolarHBondContact CA-O 3.42Å; L19-V27 WeakPolarHBondContact CB-O 3.27Å; L19-V27 PolarHBondContact N-O 2.81Å; L19-V27 PolarHBondContact O-N 3.16Å; L19-I40 HydrophobicContact CD1-CG2 4.11Å; L19-I40 HydrophobicContact CD2-CD1 3.96Å; L19-V42 HydrophobicContact CD1-CG1 4.03Å; L19-V62 HydrophobicContact CD1-CB 4.42Å; L19-V62 HydrophobicContact CD1-CG2 3.98Å; L19-V70 HydrophobicContact CD2-CB 4.35Å; L19-V70 HydrophobicContact CD2-CG1 3.96Å; L19-V70 HydrophobicContact CD2-CG2 3.95Å
20K97.4Very high96.3Very high72 Ų7261.2 Ų61.231%0.31329%0.293SS..EExtended strand (participates in β ladder)trans-88.4121.9170-69.8173.8174.6160.50108.7N68 I69 E71K20-N68 WeakPolarHBondContact O-CB 3.37Å; K20-N68 PolarHBondContact O-N 2.83Å; K20-I69 HydrophobicContact CB-CB 4.09Å; K20-I69 HydrophobicContact CD-CB 4.2Å; K20-I69 HydrophobicContact CD-CD1 4Å; K20-I69 HydrophobicContact CD-CG1 4.44Å; K20-I69 PolarHBondContact N-O 2.91Å; K20-I69 PolarHBondContact O-N 2.88Å; K20-E71 WeakPolarHBondContact CE-OE1 3.4Å; K20-E71 IonicContact NZ-OE1 2.65Å; K20-E71 PolarHBondContact NZ-OE1 2.92Å; K20-E71 IonicContact NZ-OE2 2.61Å
21L97.7Very high96.5Very high11 Ų1153.4 Ų53.46%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-109.2171.6-173.1-49.6-178.5000111.6L19 R25 V27 V62 S66 I67 N68L19-L21 HydrophobicContact CB-CD2 4.03Å; L21-R25 HydrophobicContact CB-CB 4.19Å; L21-R25 PolarHBondContact N-O 2.93Å; L21-V27 HydrophobicContact CD1-CB 4.46Å; L21-V27 HydrophobicContact CD1-CG2 3.79Å; L21-V62 HydrophobicContact CD1-CG1 4.37Å; L21-V62 HydrophobicContact CD2-CG1 3.61Å; L21-S66 CarbonylContact C-O 3.55Å; L21-S66 WeakPolarHBondContact CA-O 3.23Å; L21-I67 HydrophobicContact CD2-CB 4.46Å; L21-I67 HydrophobicContact CD2-CG1 3.94Å; L21-N68 VanDerWaalsContact C-ND2 3.3Å; L21-N68 PolarHBondContact O-ND2 3.06Å
22N97.2Very high96.8Very high62 Ų6254 Ų5433%0.33226%0.258SS..THydrogen-bonded Turntrans-54.4147.6169.7-70.7-18.3000112.3R25 N65 S66 N68N22-R25 PolarHBondContact O-NE 3.4Å; N22-R25 VanDerWaalsContact O-NE 3.15Å; N22-N65 PolarHBondContact ND2-O 2.9Å; N22-S66 PolarHBondContact N-O 2.93Å; N22-N68 PolarHBondContact N-ND2 3.25Å; N22-N68 PolarHBondContact OD1-ND2 2.92Å; N22-N68 VanDerWaalsContact OD1-ND2 3.14Å; N22-N68 PolarHBondContact OD1-OD1 3.15Å
23A96Very high96.9Very high79 Ų7952.6 Ų52.665%0.65326%0.259SS*.THydrogen-bonded Turntrans64.133.2-177.300000114.6R25A23-R25 PolarHBondContact O-N 2.75Å
24N94.1Very high97Very high145 Ų14552.8 Ų52.878%0.77526%0.257SS*.THydrogen-bonded Turntrans55.436.3178.6-59.8-31.1000113
25R96.8Very high96.9Very high117 Ų11750.7 Ų50.744%0.44225%0.246SC..EExtended strand (participates in β ladder)trans-92.1148.6171.8-67-179.6-63.6151.70.7109.1L21 N22 A23L21-R25 HydrophobicContact CB-CB 4.19Å; L21-R25 PolarHBondContact N-O 2.93Å; N22-R25 PolarHBondContact O-NE 3.4Å; N22-R25 VanDerWaalsContact O-NE 3.15Å; A23-R25 PolarHBondContact O-N 2.75Å
26E97.4Very high96.7Very high35 Ų3549.4 Ų49.416%0.16425%0.249CC..EExtended strand (participates in β ladder)trans-133.1132.7179.9-178.5177.5139.400109.6R18 L19 V28 E47 V48R18-E26 VanDerWaalsContact CD-OE1 3.31Å; R18-E26 WeakPolarHBondContact CD-OE1 3.41Å; R18-E26 HydrophobicContact CG-CG 4.04Å; R18-E26 IonicContact CZ-OE1 2.74Å; R18-E26 VanDerWaalsContact CZ-OE1 3.3Å; R18-E26 IonicContact NE-OE1 3.72Å; R18-E26 PolarHBondContact NE-OE1 3.41Å; R18-E26 IonicContact NH2-OE1 3.81Å; R18-E26 PolarHBondContact NH2-OE1 3.25Å; L19-E26 WeakPolarHBondContact O-CA 3.48Å; E26-V28 HydrophobicContact CG-CG2 4.5Å; E26-E47 WeakPolarHBondContact O-CA 3.34Å; E26-V48 HydrophobicContact CB-CB 4.1Å; E26-V48 HydrophobicContact CG-CB 4.17Å; E26-V48 HydrophobicContact CG-CG2 4.31Å; E26-V48 PolarHBondContact O-N 3.18Å
27V97.8Very high96.4Very high13 Ų1353.5 Ų53.58%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-125.2131.3174.9174.50000108.3L19 L21 V42 A45 Y46 I57L19-V27 WeakPolarHBondContact CA-O 3.42Å; L19-V27 WeakPolarHBondContact CB-O 3.27Å; L19-V27 PolarHBondContact N-O 2.81Å; L19-V27 PolarHBondContact O-N 3.16Å; L21-V27 HydrophobicContact CD1-CB 4.46Å; L21-V27 HydrophobicContact CD1-CG2 3.79Å; V27-V42 HydrophobicContact CG1-CG2 4.42Å; V27-A45 HydrophobicContact CG1-CB 4.26Å; V27-Y46 WeakPolarHBondContact CA-O 3.45Å; V27-I57 HydrophobicContact CG2-CD1 4.46Å
28V97.6Very high96.3Very high1 Ų157.7 Ų57.71%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-116.3133.5174.5-177.80000108.5R16 L17 R18 E26 A45 Y46 V48 V73R16-V28 HydrophobicContact CG-CG1 3.73Å; L17-V28 CarbonylContact O-C 3.6Å; L17-V28 VanDerWaalsContact O-CA 3.28Å; L17-V28 WeakPolarHBondContact O-CA 3.48Å; L17-V28 WeakPolarHBondContact O-CG1 3.02Å; R18-V28 HydrophobicContact CB-CG2 4.09Å; R18-V28 HydrophobicContact CG-CG2 4.23Å; E26-V28 HydrophobicContact CG-CG2 4.5Å; V28-A45 CarbonylContact O-C 3.55Å; V28-A45 VanDerWaalsContact O-CA 3.23Å; V28-A45 WeakPolarHBondContact O-CA 3.41Å; V28-Y46 HydrophobicContact CB-CD1 4.42Å; V28-Y46 HydrophobicContact CB-CD2 4.24Å; V28-Y46 HydrophobicContact CB-CE1 3.87Å; V28-Y46 HydrophobicContact CB-CE2 3.64Å; V28-Y46 VanDerWaalsContact CB-CZ 3.45Å; V28-Y46 HydrophobicContact CG1-CE1 3.91Å; V28-Y46 HydrophobicContact CG1-CE2 4.32Å; V28-Y46 WeakPolarHBondContact CG1-OH 3.23Å; V28-Y46 HydrophobicContact CG2-CE2 3.9Å; V28-Y46 PolarHBondContact N-O 2.82Å; V28-Y46 PolarHBondContact O-N 2.98Å; V28-V48 HydrophobicContact CG2-CG2 3.99Å; V28-V73 HydrophobicContact CG1-CG2 4.44Å
29G97.7Very high96.2Very high0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-169.4173.3-179.400000112.3R16 L17 S43R16-G29 WeakPolarHBondContact CA-O 3.5Å; L17-G29 PolarHBondContact N-O 3.46Å; L17-G29 PolarHBondContact O-N 2.92Å; G29-S43 CarbonylContact C-O 3.44Å; G29-S43 WeakPolarHBondContact CA-O 3.47Å
30V97.7Very high96.2Very high17 Ų1755.1 Ų55.110%0.10328%0.283CS..EExtended strand (participates in β ladder)trans-87.4125.3178.6179.10000109.5K15 R32 V42 S43K15-V30 WeakPolarHBondContact O-CA 3.18Å; V30-R32 PolarHBondContact O-N 2.87Å; V30-V42 CarbonylContact O-C 3.59Å; V30-V42 VanDerWaalsContact O-CA 3.23Å; V30-V42 WeakPolarHBondContact O-CA 3.4Å; V30-S43 PolarHBondContact N-O 2.96Å; V30-S43 PolarHBondContact O-N 3.01Å
31L97.5Very high96.2Very high0 Ų053.9 Ų53.90%028%0.282CS..EExtended strand (participates in β ladder)trans-67.1119.8178.9179.765000110.7L9 Y12 L13 D14 K15 L17 G33 F34 I40L9-L31 HydrophobicContact CB-CD2 4.14Å; Y12-L31 WeakPolarHBondContact O-CB 3.5Å; L13-L31 HydrophobicContact CD2-CD2 4.18Å; L13-L31 HydrophobicContact CD2-CG 4.17Å; D14-L31 PolarHBondContact N-O 2.74Å; K15-L31 PolarHBondContact O-N 3.21Å; L17-L31 HydrophobicContact CD1-CB 3.7Å; L17-L31 HydrophobicContact CD1-CD1 4.16Å; L17-L31 HydrophobicContact CD1-CD2 3.98Å; L17-L31 HydrophobicContact CD1-CG 4.14Å; L17-L31 HydrophobicContact CG-CB 4.14Å; L31-G33 WeakPolarHBondContact CD1-O 3.34Å; L31-F34 HydrophobicContact CD2-CD1 4.29Å; L31-I40 HydrophobicContact CD1-CB 4.49Å; L31-I40 HydrophobicContact CD1-CG1 4.49Å; L31-I40 HydrophobicContact CD1-CG2 3.53Å
32R97.8Very high96.2Very high124 Ų12453.4 Ų53.447%0.46828%0.279SS..EExtended strand (participates in β ladder)trans-106.4-25.3176.2-62.6-54.4-172.3160.96.8113.8D14 V30 V41 S43 D44D14-R32 IonicContact OD1-CZ 3.96Å; D14-R32 IonicContact OD1-NH1 3.39Å; D14-R32 PolarHBondContact OD1-NH1 3.1Å; V30-R32 PolarHBondContact O-N 2.87Å; R32-V41 HydrophobicContact CB-CB 4.43Å; R32-V41 HydrophobicContact CB-CG1 4.2Å; R32-V41 PolarHBondContact N-O 3.42Å; R32-S43 PolarHBondContact NE-OG 2.89Å; R32-S43 PolarHBondContact NH2-OG 2.79Å; R32-D44 IonicContact NH2-OD2 2.78Å
33G97.1Very high96.3Very high19 Ų1950.9 Ų50.920%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-171.7159.5-178.900000111.9L31 V41L31-G33 WeakPolarHBondContact CD1-O 3.34Å; G33-V41 PolarHBondContact N-O 2.91Å; G33-V41 PolarHBondContact O-N 3.07Å
34F96.5Very high96.3Very high65 Ų6551.2 Ų51.229%0.28526%0.257SS..EExtended strand (participates in β ladder)trans-150.7164.817564.9-82.7000110.3P7 L9 K10 L13 L31 N39 I40P7-F34 HydrophobicContact CB-CD2 4.41Å; P7-F34 HydrophobicContact CB-CE2 4.5Å; P7-F34 WeakPolarHBondContact O-CE2 3.29Å; L9-F34 HydrophobicContact CB-CD1 3.78Å; L9-F34 HydrophobicContact CB-CD2 4.06Å; L9-F34 HydrophobicContact CB-CE1 3.85Å; L9-F34 HydrophobicContact CB-CE2 4.11Å; L9-F34 HydrophobicContact CB-CG 3.9Å; L9-F34 HydrophobicContact CB-CZ 4.02Å; L9-F34 HydrophobicContact CD1-CB 4.1Å; L9-F34 HydrophobicContact CD1-CD2 4.35Å; L9-F34 HydrophobicContact CD1-CG 4.15Å; K10-F34 HydrophobicContact CB-CE1 4.48Å; K10-F34 HydrophobicContact CB-CZ 4.23Å; L13-F34 HydrophobicContact CD2-CD1 4.29Å; L13-F34 HydrophobicContact CD2-CE1 4.27Å; L13-F34 HydrophobicContact CG-CE1 4.39Å; L31-F34 HydrophobicContact CD2-CD1 4.29Å; F34-N39 WeakPolarHBondContact CA-O 3.49Å; F34-I40 HydrophobicContact CB-CG1 4.47Å
35D94.2Very high96.5Very high60 Ų6044.3 Ų44.332%0.32122%0.22SC..  trans-126.6-177174.872.114.9000112.8F37 M38 N39D35-F37 PolarHBondContact O-N 2.85Å; D35-F37 WeakPolarHBondContact OD1-CA 3.43Å; D35-F37 PolarHBondContact OD1-N 2.84Å; D35-M38 PolarHBondContact O-N 2.92Å; D35-M38 VanDerWaalsContact O-N 3.16Å; D35-M38 PolarHBondContact OD1-N 3.27Å; D35-N39 PolarHBondContact N-O 2.86Å; D35-N39 WeakPolarHBondContact OD1-CB 3.28Å; D35-N39 PolarHBondContact OD1-N 3.49Å; D35-N39 PolarHBondContact OD1-ND2 3.27Å; D35-N39 WeakPolarHBondContact OD2-CB 3.3Å; D35-N39 PolarHBondContact OD2-ND2 3.15Å
36A91.7Very high96.6Very high47 Ų4741 Ų4139%0.38821%0.208SC..THydrogen-bonded Turntrans-66.4-14.3-178.800000114.3
37F91.9Very high96.6Very high158 Ų15842.4 Ų42.469%0.69322%0.215SC*.THydrogen-bonded Turntrans-99.89.3177.7-57.2-73.9000112.4D35 N39 G64D35-F37 PolarHBondContact O-N 2.85Å; D35-F37 WeakPolarHBondContact OD1-CA 3.43Å; D35-F37 PolarHBondContact OD1-N 2.84Å; F37-N39 PolarHBondContact O-N 2.78Å; F37-G64 WeakPolarHBondContact O-CA 3.42Å
38M93.1Very high96.5Very high88 Ų8843.2 Ų43.243%0.43322%0.219SC..  trans5827.5-170.7-59.2-174.4-60.900113.3P7 D35 I40 G64 I67P7-M38 HydrophobicContact CB-CG 3.95Å; P7-M38 HydrophobicContact CG-CB 4.47Å; P7-M38 HydrophobicContact CG-CG 3.35Å; P7-M38 HydrophobicContact CG-SD 4.39Å; D35-M38 PolarHBondContact O-N 2.92Å; D35-M38 VanDerWaalsContact O-N 3.16Å; D35-M38 PolarHBondContact OD1-N 3.27Å; M38-I40 PolarHBondContact O-N 2.8Å; M38-G64 VanDerWaalsContact C-CA 3.48Å; M38-G64 WeakPolarHBondContact O-CA 3.32Å; M38-I67 WeakPolarHBondContact O-CD1 3.34Å
39N96.1Very high96.4Very high44 Ų4444.5 Ų44.524%0.23523%0.227CC..  trans-66.9132162.4-56.6-49.9000107.5F34 D35 F37 V62 R63 G64F34-N39 WeakPolarHBondContact CA-O 3.49Å; D35-N39 PolarHBondContact N-O 2.86Å; D35-N39 WeakPolarHBondContact OD1-CB 3.28Å; D35-N39 PolarHBondContact OD1-N 3.49Å; D35-N39 PolarHBondContact OD1-ND2 3.27Å; D35-N39 WeakPolarHBondContact OD2-CB 3.3Å; D35-N39 PolarHBondContact OD2-ND2 3.15Å; F37-N39 PolarHBondContact O-N 2.78Å; N39-V62 CarbonylContact C-O 3.54Å; N39-V62 VanDerWaalsContact CA-O 3.28Å; N39-V62 WeakPolarHBondContact CA-O 3.38Å; N39-R63 VanDerWaalsContact OD1-CA 3.32Å; N39-R63 WeakPolarHBondContact OD1-CA 3.43Å; N39-G64 PolarHBondContact OD1-N 3.15Å
40I97Very high96.1Very high0 Ų053 Ų530%027%0.265CS..EExtended strand (participates in β ladder)trans-119.8132.8-171.9-70.9-177.1000109.6L9 L19 L31 F34 M38 V42 V61 V62 I67 V70L9-I40 HydrophobicContact CD1-CD1 3.92Å; L9-I40 HydrophobicContact CD1-CG1 4.23Å; L19-I40 HydrophobicContact CD1-CG2 4.11Å; L19-I40 HydrophobicContact CD2-CD1 3.96Å; L31-I40 HydrophobicContact CD1-CB 4.49Å; L31-I40 HydrophobicContact CD1-CG1 4.49Å; L31-I40 HydrophobicContact CD1-CG2 3.53Å; F34-I40 HydrophobicContact CB-CG1 4.47Å; M38-I40 PolarHBondContact O-N 2.8Å; I40-V42 HydrophobicContact CG2-CG1 3.83Å; I40-V61 CarbonylContact O-C 3.57Å; I40-V61 WeakPolarHBondContact O-CA 3.46Å; I40-V62 PolarHBondContact N-O 3.23Å; I40-V62 PolarHBondContact O-N 3Å; I40-I67 HydrophobicContact CB-CD1 4.2Å; I40-I67 HydrophobicContact CD1-CD1 3.63Å; I40-I67 HydrophobicContact CG1-CD1 3.91Å; I40-V70 HydrophobicContact CD1-CG2 4.16Å
41V98Very high96Very high47 Ų4759 Ų5929%0.28530%0.296SS..EExtended strand (participates in β ladder)trans-98.7122.7168.4-173.10000108.3R32 G33 V61R32-V41 HydrophobicContact CB-CB 4.43Å; R32-V41 HydrophobicContact CB-CG1 4.2Å; R32-V41 PolarHBondContact N-O 3.42Å; G33-V41 PolarHBondContact N-O 2.91Å; G33-V41 PolarHBondContact O-N 3.07Å; V41-V61 HydrophobicContact CG2-CG2 4.32Å
42V97.9Very high95.8Very high0 Ų061.3 Ų61.30%032%0.319CS..EExtended strand (participates in β ladder)trans-116.6139.8173.7-74.50000111.4L19 V27 V30 I40 A45 M59 A60L19-V42 HydrophobicContact CD1-CG1 4.03Å; V27-V42 HydrophobicContact CG1-CG2 4.42Å; V30-V42 CarbonylContact O-C 3.59Å; V30-V42 VanDerWaalsContact O-CA 3.23Å; V30-V42 WeakPolarHBondContact O-CA 3.4Å; I40-V42 HydrophobicContact CG2-CG1 3.83Å; V42-A45 HydrophobicContact CB-CB 4.34Å; V42-A45 HydrophobicContact CG2-CB 3.77Å; V42-M59 WeakPolarHBondContact O-CA 3.31Å; V42-A60 HydrophobicContact CG2-CB 4.08Å; V42-A60 PolarHBondContact N-O 2.84Å; V42-A60 PolarHBondContact O-N 3.48Å
43S97.9Very high95.7Very high9 Ų960.2 Ų60.26%0.06332%0.323CS..EExtended strand (participates in β ladder)trans-105.2166.6164.578.60000111.2G29 V30 R32 A45 D58G29-S43 CarbonylContact C-O 3.44Å; G29-S43 WeakPolarHBondContact CA-O 3.47Å; V30-S43 PolarHBondContact N-O 2.96Å; V30-S43 PolarHBondContact O-N 3.01Å; R32-S43 PolarHBondContact NE-OG 2.89Å; R32-S43 PolarHBondContact NH2-OG 2.79Å; S43-A45 PolarHBondContact O-N 3.25Å; S43-A45 VanDerWaalsContact O-N 3.09Å; S43-D58 CarbonylContact C-O 3.32Å; S43-D58 VanDerWaalsContact C-O 3.32Å
44D97.3Very high95.7Very high86 Ų8665.6 Ų65.646%0.4634%0.343SS..EExtended strand (participates in β ladder)trans50.537.2179.6-48.7-64000111.6R32 D58R32-D44 IonicContact NH2-OD2 2.78Å; D44-D58 PolarHBondContact N-O 3.43Å
45A97.8Very high95.7Very high1 Ų166.6 Ų66.61%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-80.4140.8-171.500000110.7V27 V28 V42 S43 I57 D58V27-A45 HydrophobicContact CG1-CB 4.26Å; V28-A45 CarbonylContact O-C 3.55Å; V28-A45 VanDerWaalsContact O-CA 3.23Å; V28-A45 WeakPolarHBondContact O-CA 3.41Å; V42-A45 HydrophobicContact CB-CB 4.34Å; V42-A45 HydrophobicContact CG2-CB 3.77Å; S43-A45 PolarHBondContact O-N 3.25Å; S43-A45 VanDerWaalsContact O-N 3.09Å; A45-I57 HydrophobicContact CB-CB 4.3Å; A45-I57 PolarHBondContact O-N 2.65Å; A45-D58 WeakPolarHBondContact CB-O 3.49Å; A45-D58 PolarHBondContact N-O 2.96Å; A45-D58 PolarHBondContact O-N 2.76Å
46Y97.9Very high95.9Very high48 Ų4870.9 Ų70.919%0.18837%0.366CS..EExtended strand (participates in β ladder)trans-136144168.259.2-91.9000110.3V27 V28 V48 Q54 I55V27-Y46 WeakPolarHBondContact CA-O 3.45Å; V28-Y46 HydrophobicContact CB-CD1 4.42Å; V28-Y46 HydrophobicContact CB-CD2 4.24Å; V28-Y46 HydrophobicContact CB-CE1 3.87Å; V28-Y46 HydrophobicContact CB-CE2 3.64Å; V28-Y46 VanDerWaalsContact CB-CZ 3.45Å; V28-Y46 HydrophobicContact CG1-CE1 3.91Å; V28-Y46 HydrophobicContact CG1-CE2 4.32Å; V28-Y46 WeakPolarHBondContact CG1-OH 3.23Å; V28-Y46 HydrophobicContact CG2-CE2 3.9Å; V28-Y46 PolarHBondContact N-O 2.82Å; V28-Y46 PolarHBondContact O-N 2.98Å; Y46-V48 HydrophobicContact CD2-CG2 3.92Å; Y46-V48 HydrophobicContact CE2-CG2 3.64Å; Y46-Q54 HydrophobicContact CD2-CB 3.88Å; Y46-Q54 HydrophobicContact CD2-CG 3.7Å; Y46-Q54 HydrophobicContact CE2-CB 4.44Å; Y46-Q54 VanDerWaalsContact CE2-CD 3.48Å; Y46-Q54 HydrophobicContact CE2-CG 3.79Å; Y46-Q54 HydrophobicContact CG-CB 4.38Å; Y46-I55 CarbonylContact C-O 3.46Å; Y46-I55 WeakPolarHBondContact CA-O 3.44Å; Y46-I55 WeakPolarHBondContact CB-O 3.28Å
47E97.6Very high96.1Very high63 Ų6371.9 Ų71.929%0.29436%0.364SS..EExtended strand (participates in β ladder)trans-79.3136.7166.9172.9172.4-158.900109.4E26 Q54 I55 I57E26-E47 WeakPolarHBondContact O-CA 3.34Å; E47-Q54 CarbonylContact O-C 3.59Å; E47-Q54 VanDerWaalsContact O-CA 3.32Å; E47-Q54 WeakPolarHBondContact O-CA 3.43Å; E47-I55 HydrophobicContact CB-CB 4.44Å; E47-I55 PolarHBondContact N-O 2.79Å; E47-I55 PolarHBondContact O-N 3.04Å; E47-I57 HydrophobicContact CB-CD1 3.91Å
48V97Very high96.4Very high30 Ų3067.8 Ų67.818%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-96.7109.2167.6-178.30000107.2E26 V28 Y46E26-V48 HydrophobicContact CB-CB 4.1Å; E26-V48 HydrophobicContact CG-CB 4.17Å; E26-V48 HydrophobicContact CG-CG2 4.31Å; E26-V48 PolarHBondContact O-N 3.18Å; V28-V48 HydrophobicContact CG2-CG2 3.99Å; Y46-V48 HydrophobicContact CD2-CG2 3.92Å; Y46-V48 HydrophobicContact CE2-CG2 3.64Å
49T95Very high96.6Very high28 Ų2869.9 Ų69.917%0.17236%0.36CS..  trans-71.6165.3178.375.60000110.7D51 G52 N53 I55T49-D51 PolarHBondContact O-N 3.09Å; T49-D51 VanDerWaalsContact O-N 3.15Å; T49-D51 PolarHBondContact OG1-N 2.92Å; T49-G52 PolarHBondContact O-N 2.78Å; T49-N53 HydrophobicContact CG2-CB 4.28Å; T49-N53 PolarHBondContact N-O 2.82Å; T49-N53 WeakPolarHBondContact OG1-CB 3.38Å; T49-N53 PolarHBondContact OG1-N 2.95Å; T49-I55 HydrophobicContact CG2-CD1 3.46Å; T49-I55 VanDerWaalsContact CG2-CD1 3.46Å; T49-I55 HydrophobicContact CG2-CG1 3.85Å
50K92.1Very high96.6Very high180 Ų18068.8 Ų68.878%0.78336%0.357SS*.THydrogen-bonded Turntrans-58.7-27176.4-64.5-179-178.9176.20113.2G52K50-G52 VanDerWaalsContact C-N 3.27Å
51D94.4Very high96.7Very high142 Ų14274.2 Ų74.276%0.75939%0.39SS*.THydrogen-bonded Turntrans-85.30.6177.9-50.9-45.2000112.7T49 N53T49-D51 PolarHBondContact O-N 3.09Å; T49-D51 VanDerWaalsContact O-N 3.15Å; T49-D51 PolarHBondContact OG1-N 2.92Å; D51-N53 VanDerWaalsContact C-N 3.34Å
52G93.1Very high96.6Very high48 Ų4872.6 Ų72.650%0.49538%0.38SS..SBendtrans843.1-178.200000114.8T49 K50T49-G52 PolarHBondContact O-N 2.78Å; K50-G52 VanDerWaalsContact C-N 3.27Å
53N96.3Very high96.6Very high102 Ų10280.9 Ų80.955%0.54541%0.411SS..  trans-70.9148.1175.8-66.6-43000110.8T49 D51T49-N53 HydrophobicContact CG2-CB 4.28Å; T49-N53 PolarHBondContact N-O 2.82Å; T49-N53 WeakPolarHBondContact OG1-CB 3.38Å; T49-N53 PolarHBondContact OG1-N 2.95Å; D51-N53 VanDerWaalsContact C-N 3.34Å
54Q96.9Very high96.5Very high131 Ų13180.6 Ų80.661%0.61241%0.41SS*.EExtended strand (participates in β ladder)trans-105.4115.8176.2-63.5-177.213.300109.9Y46 E47Y46-Q54 HydrophobicContact CD2-CB 3.88Å; Y46-Q54 HydrophobicContact CD2-CG 3.7Å; Y46-Q54 HydrophobicContact CE2-CB 4.44Å; Y46-Q54 VanDerWaalsContact CE2-CD 3.48Å; Y46-Q54 HydrophobicContact CE2-CG 3.79Å; Y46-Q54 HydrophobicContact CG-CB 4.38Å; E47-Q54 CarbonylContact O-C 3.59Å; E47-Q54 VanDerWaalsContact O-CA 3.32Å; E47-Q54 WeakPolarHBondContact O-CA 3.43Å
55I97.5Very high96.5Very high87 Ų8782.6 Ų82.645%0.44642%0.421SS..EExtended strand (participates in β ladder)trans-103.6118.9177-58.7176.8000108.4Y46 E47 T49Y46-I55 CarbonylContact C-O 3.46Å; Y46-I55 WeakPolarHBondContact CA-O 3.44Å; Y46-I55 WeakPolarHBondContact CB-O 3.28Å; E47-I55 HydrophobicContact CB-CB 4.44Å; E47-I55 PolarHBondContact N-O 2.79Å; E47-I55 PolarHBondContact O-N 3.04Å; T49-I55 HydrophobicContact CG2-CD1 3.46Å; T49-I55 VanDerWaalsContact CG2-CD1 3.46Å; T49-I55 HydrophobicContact CG2-CG1 3.85Å
56K97.6Very high96.5Very high150 Ų15084 Ų8465%0.65243%0.43SS*.EExtended strand (participates in β ladder)trans-68.5131.6-178.6-164.8-179.8-171.9-116.10111.1D58K56-D58 WeakPolarHBondContact CE-OD1 3.13Å; K56-D58 IonicContact NZ-OD1 2.92Å; K56-D58 PolarHBondContact NZ-OD1 3.14Å; K56-D58 IonicContact NZ-OD2 3.3Å; K56-D58 PolarHBondContact NZ-OD2 2.96Å
57I96.5Very high96.4Very high67 Ų6782.7 Ų82.734%0.34443%0.426SS..EExtended strand (participates in β ladder)trans-115.2-27.4176.2-60.8170000111.3V27 A45 E47 M59 A60V27-I57 HydrophobicContact CG2-CD1 4.46Å; A45-I57 HydrophobicContact CB-CB 4.3Å; A45-I57 PolarHBondContact O-N 2.65Å; E47-I57 HydrophobicContact CB-CD1 3.91Å; I57-M59 PolarHBondContact O-N 3.39Å; I57-A60 HydrophobicContact CG2-CB 3.91Å
58D96.8Very high96.4Very high73 Ų7384.4 Ų84.439%0.3944%0.438SS..EExtended strand (participates in β ladder)trans71.4-94.4-172.4-69.7-49.8000113.6S43 D44 A45 K56S43-D58 CarbonylContact C-O 3.32Å; S43-D58 VanDerWaalsContact C-O 3.32Å; D44-D58 PolarHBondContact N-O 3.43Å; A45-D58 WeakPolarHBondContact CB-O 3.49Å; A45-D58 PolarHBondContact N-O 2.96Å; A45-D58 PolarHBondContact O-N 2.76Å; K56-D58 WeakPolarHBondContact CE-OD1 3.13Å; K56-D58 IonicContact NZ-OD1 2.92Å; K56-D58 PolarHBondContact NZ-OD1 3.14Å; K56-D58 IonicContact NZ-OD2 3.3Å; K56-D58 PolarHBondContact NZ-OD2 2.96Å
59M97.4Very high96.3Very high132 Ų13286.8 Ų86.865%0.6545%0.449SS*.EExtended strand (participates in β ladder)trans-112.8129-178.9-174.8172-78.400110.2V42 I57V42-M59 WeakPolarHBondContact O-CA 3.31Å; I57-M59 PolarHBondContact O-N 3.39Å
60A97.3Very high96.3Very high21 Ų2187.9 Ų87.917%0.17446%0.455CS..EExtended strand (participates in β ladder)trans-139147.117900000112.1V42 I57V42-A60 HydrophobicContact CG2-CB 4.08Å; V42-A60 PolarHBondContact N-O 2.84Å; V42-A60 PolarHBondContact O-N 3.48Å; I57-A60 HydrophobicContact CG2-CB 3.91Å
61V97.7Very high96.5Very high113 Ų11382.2 Ų82.269%0.68543%0.431SS*.EExtended strand (participates in β ladder)trans-105.5118.7167.3-175.80000108I40 V41I40-V61 CarbonylContact O-C 3.57Å; I40-V61 WeakPolarHBondContact O-CA 3.46Å; V41-V61 HydrophobicContact CG2-CG2 4.32Å
62V97.5Very high96.4Very high14 Ų1477.3 Ų77.39%0.08541%0.414CS..EExtended strand (participates in β ladder)trans-101.3123.1179.4-175.90000108.8L19 L21 N39 I40 G64 I67L19-V62 HydrophobicContact CD1-CB 4.42Å; L19-V62 HydrophobicContact CD1-CG2 3.98Å; L21-V62 HydrophobicContact CD1-CG1 4.37Å; L21-V62 HydrophobicContact CD2-CG1 3.61Å; N39-V62 CarbonylContact C-O 3.54Å; N39-V62 VanDerWaalsContact CA-O 3.28Å; N39-V62 WeakPolarHBondContact CA-O 3.38Å; I40-V62 PolarHBondContact N-O 3.23Å; I40-V62 PolarHBondContact O-N 3Å; V62-G64 PolarHBondContact O-N 3.39Å; V62-I67 HydrophobicContact CB-CD1 4.33Å; V62-I67 HydrophobicContact CG1-CD1 3.8Å; V62-I67 HydrophobicContact CG1-CG1 3.61Å
63R97.5Very high96.4Very high173 Ų17378.6 Ų78.665%0.65341%0.412SS*.  trans-67130175.3-174.8178.5-179.4176.5-0.1110.3N39 N65 S66N39-R63 VanDerWaalsContact OD1-CA 3.32Å; N39-R63 WeakPolarHBondContact OD1-CA 3.43Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 HydrophobicContact CG-CB 4.47Å; R63-N65 PolarHBondContact O-N 2.91Å; R63-S66 VanDerWaalsContact O-CB 3.29Å; R63-S66 WeakPolarHBondContact O-CB 3.15Å; R63-S66 PolarHBondContact O-N 2.9Å
64G95.9Very high95.7Very high3 Ų377.3 Ų77.33%0.03141%0.405CS..G310 helixtrans-59.7-36.3-17500000114.5F37 M38 N39 V62 S66 I67F37-G64 WeakPolarHBondContact O-CA 3.42Å; M38-G64 VanDerWaalsContact C-CA 3.48Å; M38-G64 WeakPolarHBondContact O-CA 3.32Å; N39-G64 PolarHBondContact OD1-N 3.15Å; V62-G64 PolarHBondContact O-N 3.39Å; G64-S66 PolarHBondContact O-N 2.83Å; G64-S66 VanDerWaalsContact O-N 3.07Å; G64-I67 WeakPolarHBondContact O-CB 3.36Å; G64-I67 PolarHBondContact O-N 3.25Å
65N96.4Very high94.6Very high128 Ų12882.4 Ų82.468%0.68442%0.419SS*.G310 helixtrans-63.6-14.2175-16771.3000114.1N22 R63N22-N65 PolarHBondContact ND2-O 2.9Å; R63-N65 VanDerWaalsContact C-N 3.31Å; R63-N65 HydrophobicContact CG-CB 4.47Å; R63-N65 PolarHBondContact O-N 2.91Å
66S97.6Very high93.3Very high30 Ų3084.9 Ų84.921%0.2143%0.431CS..G310 helixtrans-91.6-9.6176.1-59.60000113L21 N22 R63 G64L21-S66 CarbonylContact C-O 3.55Å; L21-S66 WeakPolarHBondContact CA-O 3.23Å; N22-S66 PolarHBondContact N-O 2.93Å; R63-S66 VanDerWaalsContact O-CB 3.29Å; R63-S66 WeakPolarHBondContact O-CB 3.15Å; R63-S66 PolarHBondContact O-N 2.9Å; G64-S66 PolarHBondContact O-N 2.83Å; G64-S66 VanDerWaalsContact O-N 3.07Å
67I97Very high93.1Very high21 Ų2181.6 Ų81.611%0.10842%0.42CS..EExtended strand (participates in β ladder)trans-93.7119.4-173.4-52.9-178.6000109.1L21 M38 I40 V62 G64 V70L21-I67 HydrophobicContact CD2-CB 4.46Å; L21-I67 HydrophobicContact CD2-CG1 3.94Å; M38-I67 WeakPolarHBondContact O-CD1 3.34Å; I40-I67 HydrophobicContact CB-CD1 4.2Å; I40-I67 HydrophobicContact CD1-CD1 3.63Å; I40-I67 HydrophobicContact CG1-CD1 3.91Å; V62-I67 HydrophobicContact CB-CD1 4.33Å; V62-I67 HydrophobicContact CG1-CD1 3.8Å; V62-I67 HydrophobicContact CG1-CG1 3.61Å; G64-I67 WeakPolarHBondContact O-CB 3.36Å; G64-I67 PolarHBondContact O-N 3.25Å; I67-V70 HydrophobicContact CG2-CG2 3.61Å
68N96.6Very high92.9Very high99 Ų9982.4 Ų82.453%0.52942%0.424SS..EExtended strand (participates in β ladder)trans-91.4-44175.7-67.7-38.2000111.5K20 L21 N22K20-N68 WeakPolarHBondContact O-CB 3.37Å; K20-N68 PolarHBondContact O-N 2.83Å; L21-N68 VanDerWaalsContact C-ND2 3.3Å; L21-N68 PolarHBondContact O-ND2 3.06Å; N22-N68 PolarHBondContact N-ND2 3.25Å; N22-N68 PolarHBondContact OD1-ND2 2.92Å; N22-N68 VanDerWaalsContact OD1-ND2 3.14Å; N22-N68 PolarHBondContact OD1-OD1 3.15Å
69I95.8Very high92.7Very high81 Ų8182.9 Ų82.942%0.41543%0.426SS..EExtended strand (participates in β ladder)trans-141.4139.1-178.1-49-179.7000109.5K20 E71K20-I69 HydrophobicContact CB-CB 4.09Å; K20-I69 HydrophobicContact CD-CB 4.2Å; K20-I69 HydrophobicContact CD-CD1 4Å; K20-I69 HydrophobicContact CD-CG1 4.44Å; K20-I69 PolarHBondContact N-O 2.91Å; K20-I69 PolarHBondContact O-N 2.88Å; I69-E71 HydrophobicContact CG2-CG 3.8Å
70V95.3Very high92.4Very high50 Ų5080 Ų8030%0.30341%0.413SS..EExtended strand (participates in β ladder)trans-114117.5169.2-177.50000108.4L9 L17 L19 I40 I67L9-V70 HydrophobicContact CD2-CG1 4.21Å; L17-V70 HydrophobicContact CD1-CG1 3.8Å; L17-V70 HydrophobicContact CD2-CG1 4.13Å; L17-V70 HydrophobicContact CG-CG1 4.42Å; L19-V70 HydrophobicContact CD2-CB 4.35Å; L19-V70 HydrophobicContact CD2-CG1 3.96Å; L19-V70 HydrophobicContact CD2-CG2 3.95Å; I40-V70 HydrophobicContact CD1-CG2 4.16Å; I67-V70 HydrophobicContact CG2-CG2 3.61Å
71E95Very high92.1Very high62 Ų6283.7 Ų83.729%0.2943%0.428SS..EExtended strand (participates in β ladder)trans-115.1130.3179-67172.3-16900109.7L17 R18 K20 I69L17-E71 CarbonylContact C-O 3.56Å; L17-E71 WeakPolarHBondContact CA-O 3.32Å; R18-E71 HydrophobicContact CB-CB 4.18Å; R18-E71 VanDerWaalsContact CD-OE2 3.3Å; R18-E71 WeakPolarHBondContact CD-OE2 2.94Å; R18-E71 PolarHBondContact N-O 2.61Å; R18-E71 PolarHBondContact O-N 2.9Å; K20-E71 WeakPolarHBondContact CE-OE1 3.4Å; K20-E71 IonicContact NZ-OE1 2.65Å; K20-E71 PolarHBondContact NZ-OE1 2.92Å; K20-E71 IonicContact NZ-OE2 2.61Å; I69-E71 HydrophobicContact CG2-CG 3.8Å
72G93.9Very high91.8Very high38 Ų3881.7 Ų81.739%0.39241%0.411SS..EExtended strand (participates in β ladder)trans-76.4124.7169.300000110.1
73V91.7Very high91.3Very high75 Ų7586.6 Ų86.646%0.45543%0.434SS..  trans-83.1-39.5176.8-179.70000110.3R16 R18 V28R16-V73 HydrophobicContact CB-CB 4.13Å; R16-V73 HydrophobicContact CG-CB 4.04Å; R16-V73 HydrophobicContact CG-CG1 4.48Å; R16-V73 HydrophobicContact CG-CG2 4.07Å; R16-V73 PolarHBondContact O-N 2.82Å; R18-V73 HydrophobicContact CB-CG2 3.93Å; V28-V73 HydrophobicContact CG1-CG2 4.44Å
74D82.8Confident90.9Very high75 Ų7579.9 Ų79.940%0.40142%0.417SS..SBendtrans-84.6149.2177.9-57.7-41000111K15 R16 I76K15-D74 HydrophobicContact CD-CB 4.49Å; R16-D74 WeakPolarHBondContact CB-OD2 3.45Å; R16-D74 PolarHBondContact N-OD2 3.4Å; D74-I76 PolarHBondContact O-N 3.19Å
75R73.6Confident90.5Very high239 Ų23986.3 Ų86.390%0.90245%0.45SS*.  trans-65.3132.9167.4-68.6-176.1178.9-169.8-0.3109.1
76I69.7Low89.9Confident138 Ų13882.5 Ų82.571%0.70843%0.428SS*.  trans-82.40172.4-52174.1000108.7K11 Y12 D74K11-I76 HydrophobicContact CD-CD1 4.2Å; K11-I76 HydrophobicContact CG-CD1 4.34Å; Y12-I76 HydrophobicContact CD1-CD1 3.9Å; Y12-I76 HydrophobicContact CD1-CG1 4.38Å; Y12-I76 HydrophobicContact CE1-CD1 3.23Å; Y12-I76 HydrophobicContact CE1-CG1 4.03Å; Y12-I76 HydrophobicContact CE2-CD1 4.33Å; Y12-I76 VanDerWaalsContact CZ-CD1 3.47Å; D74-I76 PolarHBondContact O-N 3.19Å

Retrieved 76 of 76 residues in 35.3 ms (Link to these results)