A0A087WX22_HUMAN Loading...

Methenyltetrahydrofolate synthetase domain containing

AlphaFold DB , UniProt , Accession A0A087WX22, Species HUMAN (Homo sapiens, Human), Gene MTHFSD, Length 152 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
1P58.6Low81.2Confident180 Ų180115.3 Ų115.3100%1.16965%0.653SS**  0119.307.914.7000110.9A3P1-A3 PolarHBondContact O-N 3.42Å
2R54.9Low82.5Confident243 Ų243115 Ų11592%0.91763%0.634SS**  trans-66.6129.6168-79.4-174.4-172.6170.23.5107.4V4R2-V4 PolarHBondContact O-N 2.86Å
3A60.5Low83.6Confident97 Ų97113.9 Ų113.980%0.80262%0.622SS**  trans-52.7125.1169.500000108.4P1 G5P1-A3 PolarHBondContact O-N 3.42Å; A3-G5 PolarHBondContact O-N 3.2Å
4V70.8Confident84.6Confident150 Ų150115.5 Ų115.591%0.90962%0.623SS**  trans-71.787.3173.5-177.90000106.1R2R2-V4 PolarHBondContact O-N 2.86Å
5G81.8Confident85.4Confident54 Ų54113.3 Ų113.356%0.55761%0.609SS**PPolyproline II helixtrans-75153.2175.200000110.8A3 S7A3-G5 PolarHBondContact O-N 3.2Å; G5-S7 PolarHBondContact O-N 3.07Å
6V91.1Very high86.1Confident109 Ų109107.6 Ų107.666%0.66158%0.576SS**PPolyproline II helixtrans-54.4123.7174.5178.70000109.8D10 I11V6-D10 HydrophobicContact CG1-CB 3.92Å; V6-I11 HydrophobicContact CG1-CD1 4.17Å; V6-I11 HydrophobicContact CG1-CG1 3.62Å
7S95.1Very high86.8Confident45 Ų45103.1 Ų103.132%0.31556%0.562SS.*PPolyproline II helixtrans-81.5161.1179.893.80000111.6G5 Q9 D10 I11G5-S7 PolarHBondContact O-N 3.07Å; S7-Q9 PolarHBondContact O-N 3.36Å; S7-Q9 WeakPolarHBondContact OG-CB 3.45Å; S7-Q9 PolarHBondContact OG-N 3.23Å; S7-D10 WeakPolarHBondContact CB-OD2 3.35Å; S7-D10 PolarHBondContact N-OD2 3.25Å; S7-D10 PolarHBondContact O-N 3.35Å; S7-D10 PolarHBondContact OG-N 3.35Å; S7-D10 VanDerWaalsContact OG-N 3.07Å; S7-D10 PolarHBondContact OG-OD1 3.23Å; S7-D10 PolarHBondContact OG-OD2 2.68Å; S7-I11 PolarHBondContact O-N 3.42Å
8K94.6Very high87.4Confident167 Ų167104.7 Ų104.773%0.72656%0.559SS**Hα-helixtrans-59.6-27.7170.3-71.3-177.4180175.80112.2R12K8-R12 WeakPolarHBondContact O-CG 3.31Å; K8-R12 PolarHBondContact O-N 2.87Å; K8-R12 PolarHBondContact O-NH1 3.21Å
9Q95.2Very high88Confident63 Ų63100.4 Ų100.429%0.29454%0.536SS..Hα-helixtrans-73.9-42.5178.8-178.15720.900110.6S7 I11 R12 E13S7-Q9 PolarHBondContact O-N 3.36Å; S7-Q9 WeakPolarHBondContact OG-CB 3.45Å; S7-Q9 PolarHBondContact OG-N 3.23Å; Q9-I11 VanDerWaalsContact C-N 3.29Å; Q9-I11 PolarHBondContact O-N 2.99Å; Q9-R12 WeakPolarHBondContact O-CB 3.42Å; Q9-R12 PolarHBondContact O-N 3.02Å; Q9-E13 PolarHBondContact NE2-OE1 2.77Å; Q9-E13 PolarHBondContact O-N 3.03Å
10D95.6Very high88.4Confident74 Ų7497.2 Ų97.240%0.39652%0.517SS..Hα-helixtrans-58.4-43.7178.3-48.9-7.8000110.5V6 S7 R12 E13 Q14V6-D10 HydrophobicContact CG1-CB 3.92Å; S7-D10 WeakPolarHBondContact CB-OD2 3.35Å; S7-D10 PolarHBondContact N-OD2 3.25Å; S7-D10 PolarHBondContact O-N 3.35Å; S7-D10 PolarHBondContact OG-N 3.35Å; S7-D10 VanDerWaalsContact OG-N 3.07Å; S7-D10 PolarHBondContact OG-OD1 3.23Å; S7-D10 PolarHBondContact OG-OD2 2.68Å; D10-R12 PolarHBondContact O-N 3.31Å; D10-E13 PolarHBondContact O-N 3.07Å; D10-Q14 WeakPolarHBondContact O-CB 3.48Å; D10-Q14 PolarHBondContact O-N 3.05Å
11I95.5Very high88.9Confident86 Ų8696.6 Ų96.644%0.44152%0.521SS..Hα-helixtrans-63.7-41.1176.3-60.8172.5000111.2V6 S7 Q9 Q14 I15V6-I11 HydrophobicContact CG1-CD1 4.17Å; V6-I11 HydrophobicContact CG1-CG1 3.62Å; S7-I11 PolarHBondContact O-N 3.42Å; Q9-I11 VanDerWaalsContact C-N 3.29Å; Q9-I11 PolarHBondContact O-N 2.99Å; I11-Q14 PolarHBondContact O-N 3.06Å; I11-I15 HydrophobicContact CG2-CG1 4.24Å; I11-I15 WeakPolarHBondContact O-CB 3.45Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.36Å; I11-I15 PolarHBondContact O-N 2.75Å
12R96.9Very high90.7Very high112 Ų11293.1 Ų93.142%0.42349%0.489SS..Hα-helixtrans-63.3-45.3178.4-74-179.2-162.3109.50.5111.1K8 Q9 D10 I15 W16K8-R12 WeakPolarHBondContact O-CG 3.31Å; K8-R12 PolarHBondContact O-N 2.87Å; K8-R12 PolarHBondContact O-NH1 3.21Å; Q9-R12 WeakPolarHBondContact O-CB 3.42Å; Q9-R12 PolarHBondContact O-N 3.02Å; D10-R12 PolarHBondContact O-N 3.31Å; R12-I15 PolarHBondContact O-N 3.46Å; R12-W16 HydrophobicContact CB-CD2 4.18Å; R12-W16 HydrophobicContact CB-CE3 3.98Å; R12-W16 HydrophobicContact CB-CH2 3.91Å; R12-W16 HydrophobicContact CB-CZ2 4.12Å; R12-W16 HydrophobicContact CB-CZ3 3.85Å; R12-W16 HydrophobicContact CG-CH2 4.36Å; R12-W16 HydrophobicContact CG-CZ2 4.35Å; R12-W16 VanDerWaalsContact O-CB 3.23Å; R12-W16 WeakPolarHBondContact O-CB 3.2Å; R12-W16 VanDerWaalsContact O-CD2 3.25Å; R12-W16 PolarHBondContact O-N 3.44Å
13E96.9Very high92.7Very high101 Ų10185.3 Ų85.347%0.47247%0.465SS..Hα-helixtrans-61.9-44.4178.1-71.5178.4-165.200111.3Q9 D10 I15 W16 G17Q9-E13 PolarHBondContact NE2-OE1 2.77Å; Q9-E13 PolarHBondContact O-N 3.03Å; D10-E13 PolarHBondContact O-N 3.07Å; E13-I15 PolarHBondContact O-N 3.5Å; E13-W16 PolarHBondContact O-N 3.34Å; E13-G17 PolarHBondContact O-N 2.95Å
14Q96.9Very high94.5Very high136 Ų13684 Ų8464%0.63645%0.445SS*.Hα-helixtrans-58.4-50.3175.4-174.7-175.62.200111.9D10 I11 Y18D10-Q14 WeakPolarHBondContact O-CB 3.48Å; D10-Q14 PolarHBondContact O-N 3.05Å; I11-Q14 PolarHBondContact O-N 3.06Å; Q14-Y18 WeakPolarHBondContact O-CB 3.2Å; Q14-Y18 PolarHBondContact O-N 3.37Å
15I96.7Very high95.7Very high82 Ų8277 Ų7742%0.42140%0.402SS..Hα-helixtrans-68.8-42-178.3-65.5-61.6000111.4I11 R12 E13 Y18 M19I11-I15 HydrophobicContact CG2-CG1 4.24Å; I11-I15 WeakPolarHBondContact O-CB 3.45Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.36Å; I11-I15 PolarHBondContact O-N 2.75Å; R12-I15 PolarHBondContact O-N 3.46Å; E13-I15 PolarHBondContact O-N 3.5Å; I15-Y18 PolarHBondContact O-N 3.1Å; I15-M19 HydrophobicContact CG2-CG 4.39Å; I15-M19 HydrophobicContact CG2-SD 4.25Å; I15-M19 VanDerWaalsContact O-CG 3.29Å; I15-M19 WeakPolarHBondContact O-CG 3.45Å; I15-M19 PolarHBondContact O-N 2.95Å
16W97.2Very high96.4Very high22 Ų2278.4 Ų78.48%0.08340%0.397CS..Hα-helixtrans-61.5-46.3176.1-71.2-27.5000111.6R12 E13 Y18 M19 E20 V31 H32R12-W16 HydrophobicContact CB-CD2 4.18Å; R12-W16 HydrophobicContact CB-CE3 3.98Å; R12-W16 HydrophobicContact CB-CH2 3.91Å; R12-W16 HydrophobicContact CB-CZ2 4.12Å; R12-W16 HydrophobicContact CB-CZ3 3.85Å; R12-W16 HydrophobicContact CG-CH2 4.36Å; R12-W16 HydrophobicContact CG-CZ2 4.35Å; R12-W16 VanDerWaalsContact O-CB 3.23Å; R12-W16 WeakPolarHBondContact O-CB 3.2Å; R12-W16 VanDerWaalsContact O-CD2 3.25Å; R12-W16 PolarHBondContact O-N 3.44Å; E13-W16 PolarHBondContact O-N 3.34Å; W16-Y18 VanDerWaalsContact C-N 3.34Å; W16-Y18 PolarHBondContact O-N 2.95Å; W16-M19 PolarHBondContact O-N 3.46Å; W16-E20 WeakPolarHBondContact O-CG 3.44Å; W16-E20 PolarHBondContact O-N 3.49Å; W16-V31 HydrophobicContact CB-CG2 3.73Å; W16-V31 HydrophobicContact CG-CG2 3.84Å; W16-H32 HydrophobicContact CE3-CB 4.29Å; W16-H32 AromaticContact CE3-CD2 3.89Å
17G97.4Very high96.5Very high32 Ų3281 Ų8133%0.3340%0.4SS..Hα-helixtrans-61.2-41.7175.900000112.5E13 E20 S21E13-G17 PolarHBondContact O-N 2.95Å; G17-E20 PolarHBondContact O-N 3.38Å; G17-S21 WeakPolarHBondContact O-CB 3.23Å; G17-S21 PolarHBondContact O-N 3.4Å; G17-S21 PolarHBondContact O-OG 3.22Å
18Y98Very high96.4Very high132 Ų13280.6 Ų80.652%0.51840%0.396SS..Hα-helixtrans-61-47.8173.9-178.8-101.4000112Q14 I15 W16 E20 S21 Q22 L24Q14-Y18 WeakPolarHBondContact O-CB 3.2Å; Q14-Y18 PolarHBondContact O-N 3.37Å; I15-Y18 PolarHBondContact O-N 3.1Å; W16-Y18 VanDerWaalsContact C-N 3.34Å; W16-Y18 PolarHBondContact O-N 2.95Å; Y18-E20 VanDerWaalsContact C-N 3.32Å; Y18-E20 PolarHBondContact O-N 2.82Å; Y18-S21 PolarHBondContact O-N 2.6Å; Y18-S21 PolarHBondContact O-OG 3.35Å; Y18-S21 VanDerWaalsContact O-OG 3.11Å; Y18-Q22 HydrophobicContact CD1-CG 4.49Å; Y18-Q22 HydrophobicContact CD2-CG 3.76Å; Y18-Q22 HydrophobicContact CE1-CG 4.23Å; Y18-Q22 HydrophobicContact CE2-CG 3.44Å; Y18-Q22 VanDerWaalsContact CE2-CG 3.44Å; Y18-Q22 HydrophobicContact CG-CG 4.28Å; Y18-Q22 VanDerWaalsContact O-CB 3.31Å; Y18-Q22 WeakPolarHBondContact O-CB 3.37Å; Y18-Q22 WeakPolarHBondContact O-CG 3.29Å; Y18-Q22 PolarHBondContact O-N 2.95Å; Y18-L24 HydrophobicContact CD1-CD1 3.98Å; Y18-L24 HydrophobicContact CE1-CD1 3.5Å; Y18-L24 VanDerWaalsContact CE1-CD1 3.5Å
19M97.8Very high96.3Very high22 Ų2277.6 Ų77.611%0.10838%0.38CS..Hα-helixtrans-60.6-39.1178.7-71.9-176.673.900113.2I15 W16 N23 L24 A25 V31 P36 F38I15-M19 HydrophobicContact CG2-CG 4.39Å; I15-M19 HydrophobicContact CG2-SD 4.25Å; I15-M19 VanDerWaalsContact O-CG 3.29Å; I15-M19 WeakPolarHBondContact O-CG 3.45Å; I15-M19 PolarHBondContact O-N 2.95Å; W16-M19 PolarHBondContact O-N 3.46Å; M19-N23 PolarHBondContact O-N 3.48Å; M19-L24 PolarHBondContact O-N 2.82Å; M19-A25 PolarHBondContact O-N 2.89Å; M19-V31 HydrophobicContact CB-CG2 4.46Å; M19-P36 HydrophobicContact CE-CB 3.51Å; M19-P36 HydrophobicContact CE-CG 4.47Å; M19-P36 HydrophobicContact SD-CB 3.63Å; M19-P36 HydrophobicContact SD-CG 3.96Å; M19-F38 HydrophobicContact CE-CB 3.72Å
20E97.4Very high96.3Very high37 Ų3778.2 Ų78.217%0.17339%0.39CS..Hα-helixtrans-71.6-49.3178.2-67.7-66.9171.800111.8W16 G17 Y18 Q22 N23 R29 P30 V31W16-E20 WeakPolarHBondContact O-CG 3.44Å; W16-E20 PolarHBondContact O-N 3.49Å; G17-E20 PolarHBondContact O-N 3.38Å; Y18-E20 VanDerWaalsContact C-N 3.32Å; Y18-E20 PolarHBondContact O-N 2.82Å; E20-Q22 VanDerWaalsContact C-N 3.34Å; E20-Q22 PolarHBondContact O-N 3.11Å; E20-N23 PolarHBondContact O-N 3.43Å; E20-N23 VanDerWaalsContact O-N 3.11Å; E20-R29 PolarHBondContact O-NH2 3.38Å; E20-R29 IonicContact OE2-CZ 2.82Å; E20-R29 IonicContact OE2-NE 3.54Å; E20-R29 PolarHBondContact OE2-NE 2.91Å; E20-R29 IonicContact OE2-NH2 3.59Å; E20-R29 PolarHBondContact OE2-NH2 3.09Å; E20-P30 WeakPolarHBondContact OE1-CA 3.48Å; E20-V31 HydrophobicContact CG-CG2 3.98Å; E20-V31 PolarHBondContact OE1-N 3.02Å
21S97.7Very high96.3Very high84 Ų8474.7 Ų74.759%0.58737%0.371SS*.Hα-helixtrans-64.6-36.1-177.961.40000113.1G17 Y18 N23G17-S21 WeakPolarHBondContact O-CB 3.23Å; G17-S21 PolarHBondContact O-N 3.4Å; G17-S21 PolarHBondContact O-OG 3.22Å; Y18-S21 PolarHBondContact O-N 2.6Å; Y18-S21 PolarHBondContact O-OG 3.35Å; Y18-S21 VanDerWaalsContact O-OG 3.11Å; S21-N23 VanDerWaalsContact C-N 3.28Å
22Q97.9Very high96.3Very high107 Ų10773.8 Ų73.850%0.537%0.365SS..THydrogen-bonded Turntrans-87.95.1177.3-59.2-51.3-65.300112.9Y18 E20 L24Y18-Q22 HydrophobicContact CD1-CG 4.49Å; Y18-Q22 HydrophobicContact CD2-CG 3.76Å; Y18-Q22 HydrophobicContact CE1-CG 4.23Å; Y18-Q22 HydrophobicContact CE2-CG 3.44Å; Y18-Q22 VanDerWaalsContact CE2-CG 3.44Å; Y18-Q22 HydrophobicContact CG-CG 4.28Å; Y18-Q22 VanDerWaalsContact O-CB 3.31Å; Y18-Q22 WeakPolarHBondContact O-CB 3.37Å; Y18-Q22 WeakPolarHBondContact O-CG 3.29Å; Y18-Q22 PolarHBondContact O-N 2.95Å; E20-Q22 VanDerWaalsContact C-N 3.34Å; E20-Q22 PolarHBondContact O-N 3.11Å; Q22-L24 HydrophobicContact CB-CD1 3.89Å; Q22-L24 HydrophobicContact CB-CD2 4.44Å; Q22-L24 HydrophobicContact CB-CG 3.72Å; Q22-L24 PolarHBondContact O-N 3.34Å
23N96.7Very high96Very high79 Ų7975.8 Ų75.842%0.42238%0.378SS..THydrogen-bonded Turntrans51.839.2-178.6-165.435.5000112.8M19 E20 S21 R29 K39M19-N23 PolarHBondContact O-N 3.48Å; E20-N23 PolarHBondContact O-N 3.43Å; E20-N23 VanDerWaalsContact O-N 3.11Å; S21-N23 VanDerWaalsContact C-N 3.28Å; N23-R29 PolarHBondContact OD1-NH1 2.96Å; N23-K39 PolarHBondContact ND2-NZ 3.33Å; N23-K39 WeakPolarHBondContact O-CD 2.78Å; N23-K39 WeakPolarHBondContact O-CE 3.19Å; N23-K39 PolarHBondContact O-NZ 2.88Å
24L97.2Very high95.7Very high70 Ų7077.9 Ų77.937%0.36638%0.382SS..  trans-86.8-23.6178-60.2174.5000111.6Y18 M19 Q22 F38 K39Y18-L24 HydrophobicContact CD1-CD1 3.98Å; Y18-L24 HydrophobicContact CE1-CD1 3.5Å; Y18-L24 VanDerWaalsContact CE1-CD1 3.5Å; M19-L24 PolarHBondContact O-N 2.82Å; Q22-L24 HydrophobicContact CB-CD1 3.89Å; Q22-L24 HydrophobicContact CB-CD2 4.44Å; Q22-L24 HydrophobicContact CB-CG 3.72Å; Q22-L24 PolarHBondContact O-N 3.34Å; L24-F38 CarbonylContact O-C 3.49Å; L24-F38 VanDerWaalsContact O-CA 3.31Å; L24-F38 WeakPolarHBondContact O-CA 3.2Å; L24-K39 PolarHBondContact O-N 3.17Å
25A97.1Very high95.5Very high2 Ų275.1 Ų75.12%0.01737%0.371CS..BIsolated β-bridgetrans-69.9144.517700000112.1M19 R29 V31 N37M19-A25 PolarHBondContact O-N 2.89Å; A25-R29 HydrophobicContact CB-CG 4.17Å; A25-V31 HydrophobicContact CB-CG1 3.43Å; A25-V31 VanDerWaalsContact CB-CG1 3.43Å; A25-N37 VanDerWaalsContact CA-O 3.32Å; A25-N37 WeakPolarHBondContact CA-O 3.25Å
26D96Very high95.4Very high84 Ų8472.7 Ų72.745%0.44936%0.361SS..  trans-113.5165.9168.4-164.37.1000109.7N37D26-N37 HydrophobicContact CB-CB 4.49Å; D26-N37 PolarHBondContact N-O 3.49Å
27F92.8Very high95.3Very high163 Ų16372.5 Ų72.572%0.71536%0.361SS*.SBendtrans-57.4136.3179.1-179.6-89.4000110.8N37F27-N37 PolarHBondContact O-ND2 3.38Å
28P92.4Very high95.3Very high38 Ų3874.9 Ų74.925%0.24736%0.362CS..SBendcis-84.3138.97.732.7-34.4000114.5
29R93.1Very high95.3Very high104 Ų10474.1 Ų74.139%0.39236%0.362SS..  trans-117.3157174.7-67.3177.676.8170.14.6110.7E20 N23 A25E20-R29 PolarHBondContact O-NH2 3.38Å; E20-R29 IonicContact OE2-CZ 2.82Å; E20-R29 IonicContact OE2-NE 3.54Å; E20-R29 PolarHBondContact OE2-NE 2.91Å; E20-R29 IonicContact OE2-NH2 3.59Å; E20-R29 PolarHBondContact OE2-NH2 3.09Å; N23-R29 PolarHBondContact OD1-NH1 2.96Å; A25-R29 HydrophobicContact CB-CG 4.17Å
30P94.3Very high95.2Very high76 Ų7675.1 Ų75.149%0.49438%0.378SS..  cis-72.4157.2-7.731.6-35.3000112.4E20 H32E20-P30 WeakPolarHBondContact OE1-CA 3.48Å; P30-H32 VanDerWaalsContact C-N 3.27Å; P30-H32 PolarHBondContact O-N 3.37Å
31V95.9Very high95.2Very high0 Ų073.9 Ų73.90%037%0.374CS..  trans-75.1-15.7-177.5-58.80000113.7W16 M19 E20 A25 H33 R34 P36W16-V31 HydrophobicContact CB-CG2 3.73Å; W16-V31 HydrophobicContact CG-CG2 3.84Å; M19-V31 HydrophobicContact CB-CG2 4.46Å; E20-V31 HydrophobicContact CG-CG2 3.98Å; E20-V31 PolarHBondContact OE1-N 3.02Å; A25-V31 HydrophobicContact CB-CG1 3.43Å; A25-V31 VanDerWaalsContact CB-CG1 3.43Å; V31-H33 PolarHBondContact O-N 3.32Å; V31-R34 PolarHBondContact O-N 3.43Å; V31-R34 VanDerWaalsContact O-N 3.11Å; V31-P36 HydrophobicContact CB-CB 3.79Å; V31-P36 HydrophobicContact CB-CG 4Å; V31-P36 HydrophobicContact CG1-CB 3.8Å; V31-P36 HydrophobicContact CG2-CG 4.49Å
32H95.4Very high95.1Very high67 Ų6773.2 Ų73.231%0.3137%0.369SS..THydrogen-bonded Turntrans-54.2133.9179.5-64.683.4000111.4W16 P30 R34W16-H32 HydrophobicContact CE3-CB 4.29Å; W16-H32 AromaticContact CE3-CD2 3.89Å; P30-H32 VanDerWaalsContact C-N 3.27Å; P30-H32 PolarHBondContact O-N 3.37Å; H32-R34 PolarHBondContact O-N 3.38Å
33H92.1Very high95Very high153 Ų15373.8 Ų73.871%0.70837%0.372SS*.THydrogen-bonded Turntrans61.320-178.8-45.5-72.6000115.1V31V31-H33 PolarHBondContact O-N 3.32Å
34R90Very high95Very high146 Ų14672.4 Ų72.455%0.55137%0.371SS*.SBendtrans-129.9170.7178.2-58.7177-172.4-114.10.8111V31 H32 P36V31-R34 PolarHBondContact O-N 3.43Å; V31-R34 VanDerWaalsContact O-N 3.11Å; H32-R34 PolarHBondContact O-N 3.38Å; R34-P36 VanDerWaalsContact O-CD 3.28Å; R34-P36 WeakPolarHBondContact O-CD 3.25Å
35I91.6Very high95Very high78 Ų7869.6 Ų69.640%0.436%0.358SS..  trans-77.6112.2160.3-68.9168.3000106.8N37 D65 P67I35-N37 PolarHBondContact O-N 3.13Å; I35-D65 HydrophobicContact CB-CB 4.17Å; I35-D65 HydrophobicContact CD1-CB 4.42Å; I35-D65 VanDerWaalsContact CD1-CG 3.48Å; I35-D65 WeakPolarHBondContact CD1-OD2 3.38Å; I35-D65 HydrophobicContact CG2-CB 4.17Å; I35-P67 HydrophobicContact CG2-CG 3.84Å
36P94.8Very high95Very high31 Ų3173.5 Ų73.520%0.20138%0.376CS..  trans-63.9129.9-173.3-24.436.6000112.1M19 V31 R34 P67M19-P36 HydrophobicContact CE-CB 3.51Å; M19-P36 HydrophobicContact CE-CG 4.47Å; M19-P36 HydrophobicContact SD-CB 3.63Å; M19-P36 HydrophobicContact SD-CG 3.96Å; V31-P36 HydrophobicContact CB-CB 3.79Å; V31-P36 HydrophobicContact CB-CG 4Å; V31-P36 HydrophobicContact CG1-CB 3.8Å; V31-P36 HydrophobicContact CG2-CG 4.49Å; R34-P36 VanDerWaalsContact O-CD 3.28Å; R34-P36 WeakPolarHBondContact O-CD 3.25Å; P36-P67 WeakPolarHBondContact O-CG 3.43Å
37N96.3Very high95.1Very high18 Ų1873.4 Ų73.410%0.09637%0.373CS..  trans-80.9148.1160.8-164.118.6000109.4A25 D26 F27 I35 A66 P67A25-N37 VanDerWaalsContact CA-O 3.32Å; A25-N37 WeakPolarHBondContact CA-O 3.25Å; D26-N37 HydrophobicContact CB-CB 4.49Å; D26-N37 PolarHBondContact N-O 3.49Å; F27-N37 PolarHBondContact O-ND2 3.38Å; I35-N37 PolarHBondContact O-N 3.13Å; N37-A66 HydrophobicContact CB-CB 4.18Å; N37-P67 WeakPolarHBondContact OD1-CA 3.43Å
38F96.9Very high95.4Very high81 Ų8167.8 Ų67.836%0.35535%0.35SS..BIsolated β-bridgetrans-144.5150.8-173.565.9-83.1000112.3M19 L24 G40 A41 A44 P67M19-F38 HydrophobicContact CE-CB 3.72Å; L24-F38 CarbonylContact O-C 3.49Å; L24-F38 VanDerWaalsContact O-CA 3.31Å; L24-F38 WeakPolarHBondContact O-CA 3.2Å; F38-G40 PolarHBondContact O-N 3.01Å; F38-A41 HydrophobicContact CD1-CB 4.04Å; F38-A41 HydrophobicContact CD2-CB 4.38Å; F38-A41 HydrophobicContact CE1-CB 3.79Å; F38-A41 HydrophobicContact CE2-CB 4.14Å; F38-A41 HydrophobicContact CG-CB 4.32Å; F38-A41 HydrophobicContact CZ-CB 3.85Å; F38-A41 VanDerWaalsContact O-CB 3.31Å; F38-A41 WeakPolarHBondContact O-CB 3.45Å; F38-A41 PolarHBondContact O-N 3.15Å; F38-A41 VanDerWaalsContact O-N 3.07Å; F38-A44 HydrophobicContact CE2-CB 4.39Å; F38-A44 HydrophobicContact CZ-CB 4.17Å; F38-P67 HydrophobicContact CD1-CB 4.35Å; F38-P67 HydrophobicContact CE1-CB 4.22Å
39K97.1Very high95.6Very high117 Ų11767.7 Ų67.751%0.50935%0.35SS..THydrogen-bonded Turntrans-60.3123.6172.9-67.5177.7179.8170.10109.3N23 L24N23-K39 PolarHBondContact ND2-NZ 3.33Å; N23-K39 WeakPolarHBondContact O-CD 2.78Å; N23-K39 WeakPolarHBondContact O-CE 3.19Å; N23-K39 PolarHBondContact O-NZ 2.88Å; L24-K39 PolarHBondContact O-N 3.17Å
40G96.6Very high95.8Very high43 Ų4370.4 Ų70.444%0.44336%0.36SS..THydrogen-bonded Turntrans95.32.2-175.800000115F38 S42 H43 A44F38-G40 PolarHBondContact O-N 3.01Å; G40-S42 VanDerWaalsContact C-N 3.26Å; G40-S42 PolarHBondContact O-N 3.3Å; G40-H43 PolarHBondContact O-N 3.05Å; G40-A44 PolarHBondContact O-N 2.86Å
41A96.7Very high96Very high10 Ų1071.5 Ų71.58%0.08336%0.361CS..Hα-helixtrans-54.3-40.2176.300000113.3F38 A45 P67F38-A41 HydrophobicContact CD1-CB 4.04Å; F38-A41 HydrophobicContact CD2-CB 4.38Å; F38-A41 HydrophobicContact CE1-CB 3.79Å; F38-A41 HydrophobicContact CE2-CB 4.14Å; F38-A41 HydrophobicContact CG-CB 4.32Å; F38-A41 HydrophobicContact CZ-CB 3.85Å; F38-A41 VanDerWaalsContact O-CB 3.31Å; F38-A41 WeakPolarHBondContact O-CB 3.45Å; F38-A41 PolarHBondContact O-N 3.15Å; F38-A41 VanDerWaalsContact O-N 3.07Å; A41-A45 PolarHBondContact O-N 2.9Å; A41-A45 VanDerWaalsContact O-N 3.08Å; A41-P67 HydrophobicContact CB-CB 4.2Å
42S95.3Very high96.1Very high71 Ų7177.5 Ų77.550%0.49739%0.389SS..Hα-helixtrans-63.9-43.5175.2-67.10000112.8G40 A45 E46 S70G40-S42 VanDerWaalsContact C-N 3.26Å; G40-S42 PolarHBondContact O-N 3.3Å; S42-A45 WeakPolarHBondContact O-CB 3.28Å; S42-A45 PolarHBondContact O-N 2.96Å; S42-E46 PolarHBondContact O-N 3.42Å; S42-S70 PolarHBondContact OG-OG 3.23Å
43H97Very high96.3Very high118 Ų11877.9 Ų77.955%0.54640%0.404SS..Hα-helixtrans-67.3-41179.2-175.861000111.6G40 A45 E46G40-H43 PolarHBondContact O-N 3.05Å; H43-A45 PolarHBondContact O-N 2.65Å; H43-E46 IonicContact CE1-OE2 3.98Å; H43-E46 IonicContact CG-OE2 3.86Å; H43-E46 IonicContact ND1-OE2 2.71Å; H43-E46 PolarHBondContact ND1-OE2 2.87Å; H43-E46 VanDerWaalsContact O-CB 3.32Å; H43-E46 WeakPolarHBondContact O-CB 3.41Å; H43-E46 PolarHBondContact O-N 3.35Å; H43-E46 VanDerWaalsContact O-N 3.09Å
44A97Very high96.6Very high51 Ų5171 Ų7142%0.42137%0.372SS..Hα-helixtrans-58.2-39.2172.800000111.7F38 G40 E46 Q47F38-A44 HydrophobicContact CE2-CB 4.39Å; F38-A44 HydrophobicContact CZ-CB 4.17Å; G40-A44 PolarHBondContact O-N 2.86Å; A44-E46 PolarHBondContact O-N 2.92Å; A44-Q47 PolarHBondContact O-N 3.36Å
45A97.4Very high96.9Very high11 Ų1169.6 Ų69.69%0.09137%0.37CS..Hα-helixtrans-66.4-21.9178.100000113.7A41 S42 H43 Q47 L48 F74A41-A45 PolarHBondContact O-N 2.9Å; A41-A45 VanDerWaalsContact O-N 3.08Å; S42-A45 WeakPolarHBondContact O-CB 3.28Å; S42-A45 PolarHBondContact O-N 2.96Å; H43-A45 PolarHBondContact O-N 2.65Å; A45-Q47 PolarHBondContact O-N 3.26Å; A45-L48 WeakPolarHBondContact O-CB 3.13Å; A45-L48 PolarHBondContact O-N 3.36Å; A45-F74 VanDerWaalsContact C-CE2 3.48Å; A45-F74 HydrophobicContact CB-CD2 4.17Å; A45-F74 HydrophobicContact CB-CE2 3.93Å; A45-F74 WeakPolarHBondContact O-CD2 3.34Å; A45-F74 WeakPolarHBondContact O-CE2 3.31Å
46E97.3Very high97.3Very high84 Ų8470.5 Ų70.539%0.39338%0.379SS..THydrogen-bonded Turntrans-65.2-18.6176.2-67165.6-170.800112.9S42 H43 A44 L48 P49 F74S42-E46 PolarHBondContact O-N 3.42Å; H43-E46 IonicContact CE1-OE2 3.98Å; H43-E46 IonicContact CG-OE2 3.86Å; H43-E46 IonicContact ND1-OE2 2.71Å; H43-E46 PolarHBondContact ND1-OE2 2.87Å; H43-E46 VanDerWaalsContact O-CB 3.32Å; H43-E46 WeakPolarHBondContact O-CB 3.41Å; H43-E46 PolarHBondContact O-N 3.35Å; H43-E46 VanDerWaalsContact O-N 3.09Å; A44-E46 PolarHBondContact O-N 2.92Å; E46-L48 VanDerWaalsContact C-N 3.31Å; E46-P49 WeakPolarHBondContact O-CD 3.32Å; E46-F74 HydrophobicContact CB-CZ 4.48Å; E46-F74 HydrophobicContact CG-CE2 4.22Å; E46-F74 HydrophobicContact CG-CZ 3.86Å
47Q97.9Very high97.4Very high81 Ų8170.3 Ų70.338%0.37938%0.38SS..THydrogen-bonded Turntrans-75.7-22.5173.9-55.5-52-46.500112.2A44 A45 R50A44-Q47 PolarHBondContact O-N 3.36Å; A45-Q47 PolarHBondContact O-N 3.26Å; Q47-R50 WeakPolarHBondContact O-CB 3.31Å; Q47-R50 PolarHBondContact O-N 3.44Å
48L97.5Very high97.5Very high45 Ų4579.7 Ų79.724%0.23641%0.414CS..G310 helixtrans-58-48.2-174.8176.666.1000112.6A45 E46 R50 L51 F54 A71A45-L48 WeakPolarHBondContact O-CB 3.13Å; A45-L48 PolarHBondContact O-N 3.36Å; E46-L48 VanDerWaalsContact C-N 3.31Å; L48-R50 PolarHBondContact O-N 2.97Å; L48-R50 VanDerWaalsContact O-N 3.14Å; L48-L51 HydrophobicContact CD1-CD1 4.23Å; L48-L51 PolarHBondContact O-N 3.11Å; L48-F54 HydrophobicContact CD1-CB 4.43Å; L48-F54 HydrophobicContact CD1-CD2 3.7Å; L48-F54 HydrophobicContact CD1-CE2 4.4Å; L48-F54 HydrophobicContact CD1-CG 4.4Å; L48-F54 HydrophobicContact CD2-CD2 3.99Å; L48-F54 HydrophobicContact CD2-CE2 3.82Å; L48-F54 HydrophobicContact CG-CD2 3.47Å; L48-F54 VanDerWaalsContact CG-CD2 3.47Å; L48-F54 HydrophobicContact CG-CE2 3.74Å; L48-F54 HydrophobicContact CG-CG 4.24Å; L48-F54 WeakPolarHBondContact O-CB 3.08Å; L48-F54 WeakPolarHBondContact O-CG 3.39Å; L48-A71 HydrophobicContact CD2-CB 3.73Å
49P97.9Very high97.4Very high37 Ų3779.4 Ų79.424%0.2442%0.419CS..G310 helixtrans-62.8-18.6176.9-24.436.4000115.1E46 F54 K55 F74E46-P49 WeakPolarHBondContact O-CD 3.32Å; P49-F54 HydrophobicContact CB-CD1 4.32Å; P49-F54 HydrophobicContact CB-CE1 4.11Å; P49-F54 HydrophobicContact CG-CE1 4.4Å; P49-K55 WeakPolarHBondContact O-CE 3.33Å; P49-F74 HydrophobicContact CG-CB 3.96Å; P49-F74 HydrophobicContact CG-CD1 4.01Å; P49-F74 HydrophobicContact CG-CD2 4.37Å; P49-F74 HydrophobicContact CG-CG 3.87Å
50R97.7Very high97.5Very high160 Ų16075.1 Ų75.160%0.60440%0.401SS*.G310 helixtrans-79.1-23.8-178.8-55.9-179.5-178.6-173.3-8.5112.2Q47 L48 K55Q47-R50 WeakPolarHBondContact O-CB 3.31Å; Q47-R50 PolarHBondContact O-N 3.44Å; L48-R50 PolarHBondContact O-N 2.97Å; L48-R50 VanDerWaalsContact O-N 3.14Å; R50-K55 VanDerWaalsContact O-CE 3.31Å; R50-K55 WeakPolarHBondContact O-CE 3.38Å; R50-K55 PolarHBondContact O-NZ 2.78Å
51L98.3Very high97.4Very high99 Ų9977.8 Ų77.852%0.51840%0.401SS..SBendtrans-67.3133.1-178.9-60.2178.6000111.5L48 A53 F54 K55L48-L51 HydrophobicContact CD1-CD1 4.23Å; L48-L51 PolarHBondContact O-N 3.11Å; L51-A53 VanDerWaalsContact C-N 3.27Å; L51-A53 PolarHBondContact O-N 2.87Å; L51-F54 HydrophobicContact CB-CB 4.21Å; L51-F54 WeakPolarHBondContact O-CB 3.4Å; L51-F54 PolarHBondContact O-N 3.46Å; L51-K55 PolarHBondContact O-N 3.48Å; L51-K55 VanDerWaalsContact O-N 3.08Å
52Q98.1Very high97.4Very high127 Ų12777.7 Ų77.759%0.59340%0.399SS*.Hα-helixtrans-59.9-39178.9-170.960.216.500112.2F54 K55 T56Q52-F54 VanDerWaalsContact C-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.12Å; Q52-K55 PolarHBondContact O-N 3.44Å; Q52-K55 VanDerWaalsContact O-N 3.15Å; Q52-T56 PolarHBondContact O-N 2.9Å; Q52-T56 PolarHBondContact O-OG1 2.73Å
53A97.9Very high97.3Very high75 Ų7576.2 Ų76.262%0.6239%0.386SS*.Hα-helixtrans-59.2-35.817500000112.7L51 T56 A57L51-A53 VanDerWaalsContact C-N 3.27Å; L51-A53 PolarHBondContact O-N 2.87Å; A53-T56 PolarHBondContact O-OG1 2.65Å; A53-A57 WeakPolarHBondContact O-CB 3.43Å; A53-A57 PolarHBondContact O-N 2.82Å; A53-A57 VanDerWaalsContact O-N 3.13Å
54F98.4Very high97Very high9 Ų972.1 Ų72.14%0.03937%0.37CS..Hα-helixtrans-70.5-43.9175.2-178.9-85.2000111.2L48 P49 L51 Q52 T56 A57 I60 F74 V75 S78 K80L48-F54 HydrophobicContact CD1-CB 4.43Å; L48-F54 HydrophobicContact CD1-CD2 3.7Å; L48-F54 HydrophobicContact CD1-CE2 4.4Å; L48-F54 HydrophobicContact CD1-CG 4.4Å; L48-F54 HydrophobicContact CD2-CD2 3.99Å; L48-F54 HydrophobicContact CD2-CE2 3.82Å; L48-F54 HydrophobicContact CG-CD2 3.47Å; L48-F54 VanDerWaalsContact CG-CD2 3.47Å; L48-F54 HydrophobicContact CG-CE2 3.74Å; L48-F54 HydrophobicContact CG-CG 4.24Å; L48-F54 WeakPolarHBondContact O-CB 3.08Å; L48-F54 WeakPolarHBondContact O-CG 3.39Å; P49-F54 HydrophobicContact CB-CD1 4.32Å; P49-F54 HydrophobicContact CB-CE1 4.11Å; P49-F54 HydrophobicContact CG-CE1 4.4Å; L51-F54 HydrophobicContact CB-CB 4.21Å; L51-F54 WeakPolarHBondContact O-CB 3.4Å; L51-F54 PolarHBondContact O-N 3.46Å; Q52-F54 VanDerWaalsContact C-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.12Å; F54-T56 VanDerWaalsContact C-N 3.33Å; F54-T56 PolarHBondContact O-N 3.48Å; F54-A57 PolarHBondContact O-N 3.02Å; F54-I60 HydrophobicContact CD2-CD1 3.29Å; F54-I60 HydrophobicContact CE2-CD1 3.34Å; F54-I60 HydrophobicContact CG-CD1 4.09Å; F54-I60 HydrophobicContact CZ-CD1 4.17Å; F54-F74 HydrophobicContact CZ-CB 4.5Å; F54-V75 HydrophobicContact CE2-CG2 3.89Å; F54-S78 WeakPolarHBondContact CE1-OG 3.42Å; F54-K80 HydrophobicContact CE1-CD 4.06Å; F54-K80 HydrophobicContact CE2-CD 4.48Å; F54-K80 HydrophobicContact CZ-CD 4.03Å; F54-K80 WeakPolarHBondContact O-CE 3.19Å; F54-K80 PolarHBondContact O-NZ 2.74Å
55K98.2Very high96.8Very high116 Ų11672.1 Ų72.150%0.50436%0.363SS..Hα-helixtrans-58.1-46.2-179.4-66.8175.3-172.9169.90111.2P49 R50 L51 Q52 K80P49-K55 WeakPolarHBondContact O-CE 3.33Å; R50-K55 VanDerWaalsContact O-CE 3.31Å; R50-K55 WeakPolarHBondContact O-CE 3.38Å; R50-K55 PolarHBondContact O-NZ 2.78Å; L51-K55 PolarHBondContact O-N 3.48Å; L51-K55 VanDerWaalsContact O-N 3.08Å; Q52-K55 PolarHBondContact O-N 3.44Å; Q52-K55 VanDerWaalsContact O-N 3.15Å; K55-K80 PolarHBondContact O-NZ 3.44Å
56T98.1Very high96.6Very high97 Ų9773.5 Ų73.560%0.59537%0.374SS*.Hα-helixtrans-78.5-26.4-178.158.20000113.9Q52 A53 F54 R58Q52-T56 PolarHBondContact O-N 2.9Å; Q52-T56 PolarHBondContact O-OG1 2.73Å; A53-T56 PolarHBondContact O-OG1 2.65Å; F54-T56 VanDerWaalsContact C-N 3.33Å; F54-T56 PolarHBondContact O-N 3.48Å; T56-R58 PolarHBondContact O-N 3.41Å
57A98.1Very high96.5Very high26 Ų2670.4 Ų70.422%0.21536%0.361CS..  trans-66.6133.5-179.200000112.6A53 F54 I60 K80A53-A57 WeakPolarHBondContact O-CB 3.43Å; A53-A57 PolarHBondContact O-N 2.82Å; A53-A57 VanDerWaalsContact O-N 3.13Å; F54-A57 PolarHBondContact O-N 3.02Å; A57-I60 HydrophobicContact CB-CD1 4.18Å; A57-I60 HydrophobicContact CB-CG1 3.91Å; A57-K80 WeakPolarHBondContact O-CD 3.42Å; A57-K80 PolarHBondContact O-NZ 3.08Å
58R97.4Very high96.4Very high216 Ų21669.2 Ų69.282%0.81536%0.355SS*.SBendtrans-90.7-28.1171.4-66.9-174.4-71.4-179.3-2.5113T56 T81T56-R58 PolarHBondContact O-N 3.41Å; R58-T81 PolarHBondContact O-N 3.42Å
59T96.4Very high96.3Very high75 Ų7571.6 Ų71.646%0.4636%0.364SS..EExtended strand (participates in β ladder)trans-131.1130.7-177-57.60000109.3T81 L83T59-T81 CarbonylContact C-O 3.59Å; T59-T81 WeakPolarHBondContact CA-O 3.21Å; T59-T81 HydrophobicContact CG2-CG2 3.96Å; T59-L83 HydrophobicContact CG2-CD1 3.69Å; T59-L83 HydrophobicContact CG2-CG 3.83Å
60I97.3Very high96.3Very high26 Ų2671 Ų7113%0.13336%0.361CS..EExtended strand (participates in β ladder)trans-132.8131.5-176.5-59178000108.7F54 A57 V62 V75 K80 T81 L83F54-I60 HydrophobicContact CD2-CD1 3.29Å; F54-I60 HydrophobicContact CE2-CD1 3.34Å; F54-I60 HydrophobicContact CG-CD1 4.09Å; F54-I60 HydrophobicContact CZ-CD1 4.17Å; A57-I60 HydrophobicContact CB-CD1 4.18Å; A57-I60 HydrophobicContact CB-CG1 3.91Å; I60-V62 HydrophobicContact CG2-CG2 3.9Å; I60-V75 HydrophobicContact CB-CG1 4.07Å; I60-V75 HydrophobicContact CB-CG2 3.94Å; I60-V75 HydrophobicContact CD1-CG2 4.03Å; I60-V75 HydrophobicContact CG2-CG2 3.82Å; I60-K80 HydrophobicContact CD1-CD 3.71Å; I60-T81 PolarHBondContact N-O 2.92Å; I60-L83 PolarHBondContact O-N 3.37Å
61K95.8Very high96.3Very high99 Ų9964.1 Ų64.143%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-97.4131.1172.7176-95164.9173.80110.1N63 L83 P85 F94K61-N63 WeakPolarHBondContact CE-OD1 3.34Å; K61-N63 PolarHBondContact NZ-OD1 2.96Å; K61-L83 CarbonylContact C-O 3.58Å; K61-L83 VanDerWaalsContact CA-O 3.25Å; K61-L83 WeakPolarHBondContact CA-O 3.34Å; K61-L83 HydrophobicContact CB-CB 4.15Å; K61-L83 HydrophobicContact CG-CB 4.44Å; K61-P85 HydrophobicContact CD-CG 4.44Å; K61-F94 HydrophobicContact CD-CE1 4.38Å; K61-F94 HydrophobicContact CG-CD1 4.1Å; K61-F94 HydrophobicContact CG-CE1 3.7Å
62V95.6Very high96.2Very high8 Ų859.6 Ų59.65%0.04831%0.314CS..  trans-133.8138.2177.7-170.80000108.7I60 Q68 A71 R72 V75 L82 L83 P85I60-V62 HydrophobicContact CG2-CG2 3.9Å; V62-Q68 HydrophobicContact CG1-CB 3.67Å; V62-Q68 HydrophobicContact CG1-CG 4.46Å; V62-Q68 VanDerWaalsContact CG1-OE1 3.26Å; V62-A71 HydrophobicContact CG1-CB 4.13Å; V62-R72 HydrophobicContact CB-CG 3.63Å; V62-R72 HydrophobicContact CG1-CG 3.48Å; V62-R72 VanDerWaalsContact CG1-CG 3.48Å; V62-R72 HydrophobicContact CG2-CG 4.28Å; V62-V75 HydrophobicContact CG2-CG2 4.05Å; V62-L82 HydrophobicContact CB-CD1 3.95Å; V62-L82 HydrophobicContact CG2-CD1 3.71Å; V62-L83 PolarHBondContact N-O 3.13Å; V62-P85 VanDerWaalsContact O-CD 3.25Å; V62-P85 WeakPolarHBondContact O-CD 3.09Å
63N92.9Very high96.2Very high40 Ų4054.6 Ų54.621%0.21429%0.29CS..  trans-67.7160.2178.8-75-19.6000111.5K61 D65 R72K61-N63 WeakPolarHBondContact CE-OD1 3.34Å; K61-N63 PolarHBondContact NZ-OD1 2.96Å; N63-D65 VanDerWaalsContact C-N 3.28Å; N63-D65 WeakPolarHBondContact CB-OD2 3.37Å; N63-D65 PolarHBondContact O-N 2.92Å; N63-R72 PolarHBondContact O-NH1 3.33Å
64P91.2Very high96.2Very high33 Ų3352.6 Ų52.621%0.21427%0.268CS..SBendtrans-76.7-7.4178.131.2-36.1000114.6R72 V84 S114P64-R72 VanDerWaalsContact C-NH1 3.29Å; P64-R72 PolarHBondContact O-NH1 3.08Å; P64-V84 HydrophobicContact CB-CG1 3.85Å; P64-V84 HydrophobicContact CG-CG1 4.42Å; P64-S114 VanDerWaalsContact O-CB 3.32Å; P64-S114 WeakPolarHBondContact O-CB 3.44Å; P64-S114 PolarHBondContact O-OG 3.14Å
65D93Very high96.2Very high51 Ų5152.2 Ų52.227%0.27327%0.266SS..SBendtrans-60.5151.4-174.4-52.6-85.9000113.1I35 N63 P67 Q68 R72I35-D65 HydrophobicContact CB-CB 4.17Å; I35-D65 HydrophobicContact CD1-CB 4.42Å; I35-D65 VanDerWaalsContact CD1-CG 3.48Å; I35-D65 WeakPolarHBondContact CD1-OD2 3.38Å; I35-D65 HydrophobicContact CG2-CB 4.17Å; N63-D65 VanDerWaalsContact C-N 3.28Å; N63-D65 WeakPolarHBondContact CB-OD2 3.37Å; N63-D65 PolarHBondContact O-N 2.92Å; D65-P67 HydrophobicContact CB-CG 4.34Å; D65-Q68 PolarHBondContact O-N 2.73Å; D65-Q68 VanDerWaalsContact O-N 3.13Å; D65-R72 PolarHBondContact O-NH1 3.3Å
66A92.9Very high96.1Very high39 Ų3947.1 Ų47.132%0.32224%0.244SC..G310 helixtrans-50.8-48.5-178.800000114.8N37 Q68 K69N37-A66 HydrophobicContact CB-CB 4.18Å; A66-Q68 PolarHBondContact O-N 3.02Å; A66-K69 WeakPolarHBondContact O-CB 3.47Å; A66-K69 PolarHBondContact O-N 3.08Å; A66-K69 VanDerWaalsContact O-N 3.08Å
67P95.1Very high96Very high19 Ų1945.3 Ų45.312%0.12323%0.229CC..G310 helixtrans-62.6-20.2-178.523.1-35.1000113.7I35 P36 N37 F38 A41 D65I35-P67 HydrophobicContact CG2-CG 3.84Å; P36-P67 WeakPolarHBondContact O-CG 3.43Å; N37-P67 WeakPolarHBondContact OD1-CA 3.43Å; F38-P67 HydrophobicContact CD1-CB 4.35Å; F38-P67 HydrophobicContact CE1-CB 4.22Å; A41-P67 HydrophobicContact CB-CB 4.2Å; D65-P67 HydrophobicContact CB-CG 4.34Å
68Q95.7Very high96Very high57 Ų5746.4 Ų46.427%0.26624%0.235SC..G310 helixtrans-95.16.8-178.8-57.8-172.120.500113.3V62 D65 A66 S70 A71 R72V62-Q68 HydrophobicContact CG1-CB 3.67Å; V62-Q68 HydrophobicContact CG1-CG 4.46Å; V62-Q68 VanDerWaalsContact CG1-OE1 3.26Å; D65-Q68 PolarHBondContact O-N 2.73Å; D65-Q68 VanDerWaalsContact O-N 3.13Å; A66-Q68 PolarHBondContact O-N 3.02Å; Q68-S70 PolarHBondContact O-N 3.41Å; Q68-A71 WeakPolarHBondContact O-CB 3.46Å; Q68-A71 PolarHBondContact O-N 3.14Å; Q68-R72 PolarHBondContact O-N 3.25Å; Q68-R72 PolarHBondContact O-NH1 2.89Å
69K95.9Very high95.9Very high94 Ų9445.7 Ų45.741%0.40924%0.238SC..Hα-helixtrans-57.5-47.3178.3-178.9179.8170.5179.40112.3A66 A71 R72 F73 T113A66-K69 WeakPolarHBondContact O-CB 3.47Å; A66-K69 PolarHBondContact O-N 3.08Å; A66-K69 VanDerWaalsContact O-N 3.08Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.03Å; K69-R72 WeakPolarHBondContact O-CB 3.49Å; K69-R72 PolarHBondContact O-N 3.22Å; K69-F73 PolarHBondContact O-N 3.24Å; K69-T113 HydrophobicContact CD-CG2 4.2Å
70S97.3Very high95.8Very high25 Ų2544 Ų4418%0.17522%0.224CC..Hα-helixtrans-68-34.7-179.7-57.70000111.8S42 Q68 F73 F74S42-S70 PolarHBondContact OG-OG 3.23Å; Q68-S70 PolarHBondContact O-N 3.41Å; S70-F73 WeakPolarHBondContact O-CB 3.36Å; S70-F73 PolarHBondContact O-N 3.02Å; S70-F74 WeakPolarHBondContact O-CD2 3.31Å; S70-F74 PolarHBondContact O-N 3.26Å
71A97.8Very high95.7Very high15 Ų1545.1 Ų45.112%0.12423%0.232CC..Hα-helixtrans-60.8-45.7171.500000112L48 V62 Q68 K69 F73 F74 V75L48-A71 HydrophobicContact CD2-CB 3.73Å; V62-A71 HydrophobicContact CG1-CB 4.13Å; Q68-A71 WeakPolarHBondContact O-CB 3.46Å; Q68-A71 PolarHBondContact O-N 3.14Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.03Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-F73 PolarHBondContact O-N 2.9Å; A71-F74 PolarHBondContact O-N 3.03Å; A71-V75 WeakPolarHBondContact O-CG2 3.31Å; A71-V75 PolarHBondContact O-N 3.22Å; A71-V75 VanDerWaalsContact O-N 3.13Å
72R97.5Very high95.7Very high5 Ų540.4 Ų40.42%0.01921%0.212CC..Hα-helixtrans-58.9-42.5174.2-69.9-171.7-57.9-87.82.4111.9V62 N63 P64 D65 Q68 K69 V75 L76 L82 A112V62-R72 HydrophobicContact CB-CG 3.63Å; V62-R72 HydrophobicContact CG1-CG 3.48Å; V62-R72 VanDerWaalsContact CG1-CG 3.48Å; V62-R72 HydrophobicContact CG2-CG 4.28Å; N63-R72 PolarHBondContact O-NH1 3.33Å; P64-R72 VanDerWaalsContact C-NH1 3.29Å; P64-R72 PolarHBondContact O-NH1 3.08Å; D65-R72 PolarHBondContact O-NH1 3.3Å; Q68-R72 PolarHBondContact O-N 3.25Å; Q68-R72 PolarHBondContact O-NH1 2.89Å; K69-R72 WeakPolarHBondContact O-CB 3.49Å; K69-R72 PolarHBondContact O-N 3.22Å; R72-V75 PolarHBondContact O-N 3.42Å; R72-L76 WeakPolarHBondContact O-CG 3.32Å; R72-L76 PolarHBondContact O-N 3.48Å; R72-L82 HydrophobicContact CB-CD2 3.83Å; R72-L82 HydrophobicContact CG-CD1 4.14Å; R72-L82 HydrophobicContact CG-CD2 4.04Å; R72-A112 HydrophobicContact CB-CB 3.85Å; R72-A112 PolarHBondContact NE-O 3.31Å; R72-A112 PolarHBondContact NH2-O 3.34Å
73F97.6Very high95.5Very high21 Ų2141.2 Ų41.29%0.09222%0.216CC..Hα-helixtrans-58.3-48.9175.6168.2-96.9000111.8K69 S70 A71 V75 L76 E77 K105 L108 R109 A112K69-F73 PolarHBondContact O-N 3.24Å; S70-F73 WeakPolarHBondContact O-CB 3.36Å; S70-F73 PolarHBondContact O-N 3.02Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-F73 PolarHBondContact O-N 2.9Å; F73-V75 VanDerWaalsContact C-N 3.31Å; F73-V75 PolarHBondContact O-N 3.13Å; F73-L76 PolarHBondContact O-N 3.27Å; F73-L76 VanDerWaalsContact O-N 3.11Å; F73-E77 HydrophobicContact CE1-CB 4.33Å; F73-E77 VanDerWaalsContact CE1-OE2 3.22Å; F73-E77 WeakPolarHBondContact CE1-OE2 3.32Å; F73-E77 HydrophobicContact CZ-CB 4.25Å; F73-E77 HydrophobicContact CZ-CG 4.36Å; F73-E77 WeakPolarHBondContact O-CB 3.33Å; F73-E77 PolarHBondContact O-N 3.07Å; F73-K105 HydrophobicContact CE2-CB 4.34Å; F73-K105 HydrophobicContact CZ-CB 4.43Å; F73-L108 HydrophobicContact CD2-CB 3.92Å; F73-L108 HydrophobicContact CE2-CB 3.87Å; F73-R109 HydrophobicContact CD2-CB 4.41Å; F73-R109 HydrophobicContact CD2-CG 3.59Å; F73-R109 HydrophobicContact CE2-CG 3.69Å; F73-R109 HydrophobicContact CG-CG 4.4Å; F73-A112 HydrophobicContact CB-CB 3.91Å
74F98.2Very high95.5Very high34 Ų3440 Ų4015%0.14921%0.209CC..Hα-helixtrans-63.4-34.1-179.7-71.2-53.1000113.6A45 E46 P49 F54 S70 A71 S78A45-F74 VanDerWaalsContact C-CE2 3.48Å; A45-F74 HydrophobicContact CB-CD2 4.17Å; A45-F74 HydrophobicContact CB-CE2 3.93Å; A45-F74 WeakPolarHBondContact O-CD2 3.34Å; A45-F74 WeakPolarHBondContact O-CE2 3.31Å; E46-F74 HydrophobicContact CB-CZ 4.48Å; E46-F74 HydrophobicContact CG-CE2 4.22Å; E46-F74 HydrophobicContact CG-CZ 3.86Å; P49-F74 HydrophobicContact CG-CB 3.96Å; P49-F74 HydrophobicContact CG-CD1 4.01Å; P49-F74 HydrophobicContact CG-CD2 4.37Å; P49-F74 HydrophobicContact CG-CG 3.87Å; F54-F74 HydrophobicContact CZ-CB 4.5Å; S70-F74 WeakPolarHBondContact O-CD2 3.31Å; S70-F74 PolarHBondContact O-N 3.26Å; A71-F74 PolarHBondContact O-N 3.03Å; F74-S78 VanDerWaalsContact O-CB 3.28Å; F74-S78 WeakPolarHBondContact O-CB 3.28Å; F74-S78 PolarHBondContact O-N 3.24Å; F74-S78 PolarHBondContact O-OG 2.92Å
75V97.9Very high95.3Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-60.3-48.5172.6177.40000110.4F54 I60 V62 A71 R72 F73 S78 K80 L82F54-V75 HydrophobicContact CE2-CG2 3.89Å; I60-V75 HydrophobicContact CB-CG1 4.07Å; I60-V75 HydrophobicContact CB-CG2 3.94Å; I60-V75 HydrophobicContact CD1-CG2 4.03Å; I60-V75 HydrophobicContact CG2-CG2 3.82Å; V62-V75 HydrophobicContact CG2-CG2 4.05Å; A71-V75 WeakPolarHBondContact O-CG2 3.31Å; A71-V75 PolarHBondContact O-N 3.22Å; A71-V75 VanDerWaalsContact O-N 3.13Å; R72-V75 PolarHBondContact O-N 3.42Å; F73-V75 VanDerWaalsContact C-N 3.31Å; F73-V75 PolarHBondContact O-N 3.13Å; V75-S78 PolarHBondContact O-N 2.93Å; V75-K80 HydrophobicContact CG1-CB 3.9Å; V75-K80 PolarHBondContact O-N 3.39Å; V75-K80 VanDerWaalsContact O-N 3.1Å; V75-L82 HydrophobicContact CB-CB 4.47Å; V75-L82 HydrophobicContact CB-CD1 4.3Å; V75-L82 HydrophobicContact CG1-CB 3.75Å; V75-L82 HydrophobicContact CG1-CD1 4.12Å; V75-L82 HydrophobicContact CG1-CG 4.47Å; V75-L82 HydrophobicContact CG2-CD1 4.43Å
76L96.3Very high94.8Very high9 Ų937.8 Ų37.85%0.04720%0.198CC..Hα-helixtrans-68.2-42-179.4-63.3176.8000112.4R72 F73 S78 K79 L82 I97 P99 L108 C111 A112R72-L76 WeakPolarHBondContact O-CG 3.32Å; R72-L76 PolarHBondContact O-N 3.48Å; F73-L76 PolarHBondContact O-N 3.27Å; F73-L76 VanDerWaalsContact O-N 3.11Å; L76-S78 PolarHBondContact O-N 2.74Å; L76-K79 PolarHBondContact O-N 2.82Å; L76-L82 HydrophobicContact CD1-CD2 4.1Å; L76-L82 HydrophobicContact CD2-CB 3.75Å; L76-L82 HydrophobicContact CD2-CD2 3.93Å; L76-L82 HydrophobicContact CD2-CG 4.5Å; L76-L82 HydrophobicContact CG-CB 4.42Å; L76-L82 HydrophobicContact CG-CD2 3.87Å; L76-I97 HydrophobicContact CD1-CG2 4.17Å; L76-I97 HydrophobicContact CD2-CB 4.47Å; L76-I97 HydrophobicContact CD2-CG2 4.04Å; L76-P99 HydrophobicContact CB-CG 4.42Å; L76-P99 HydrophobicContact CD1-CG 4.43Å; L76-P99 HydrophobicContact CD2-CG 3.83Å; L76-P99 HydrophobicContact CG-CG 4.46Å; L76-L108 HydrophobicContact CB-CD2 4.2Å; L76-C111 HydrophobicContact CD1-CB 3.43Å; L76-C111 VanDerWaalsContact CD1-CB 3.43Å; L76-A112 HydrophobicContact CD1-CB 4.5Å
77E96.9Very high93.9Very high60 Ų6040.3 Ų40.328%0.2821%0.211SC..Hα-helixtrans-61.7-35.2176.7-174.1175-137.600111.5F73 K79 K105 L108F73-E77 HydrophobicContact CE1-CB 4.33Å; F73-E77 VanDerWaalsContact CE1-OE2 3.22Å; F73-E77 WeakPolarHBondContact CE1-OE2 3.32Å; F73-E77 HydrophobicContact CZ-CB 4.25Å; F73-E77 HydrophobicContact CZ-CG 4.36Å; F73-E77 WeakPolarHBondContact O-CB 3.33Å; F73-E77 PolarHBondContact O-N 3.07Å; E77-K79 PolarHBondContact O-N 3.46Å; E77-K105 WeakPolarHBondContact OE1-CD 3.13Å; E77-K105 WeakPolarHBondContact OE1-CE 3.45Å; E77-K105 IonicContact OE1-NZ 2.69Å; E77-K105 PolarHBondContact OE1-NZ 3.05Å; E77-L108 HydrophobicContact CB-CD1 4.14Å
78S96.8Very high92.9Very high49 Ų4949.1 Ų49.134%0.34324%0.242SC..THydrogen-bonded Turntrans-77.66.9175.1-55.80000113.7F54 F74 V75 L76 K80F54-S78 WeakPolarHBondContact CE1-OG 3.42Å; F74-S78 VanDerWaalsContact O-CB 3.28Å; F74-S78 WeakPolarHBondContact O-CB 3.28Å; F74-S78 PolarHBondContact O-N 3.24Å; F74-S78 PolarHBondContact O-OG 2.92Å; V75-S78 PolarHBondContact O-N 2.93Å; L76-S78 PolarHBondContact O-N 2.74Å; S78-K80 PolarHBondContact O-N 2.91Å
79K95.4Very high91.8Very high200 Ų20051.9 Ų51.987%0.8726%0.258SS*.THydrogen-bonded Turntrans55.331.7-177.9-55.1179-179177.40113.3L76 E77L76-K79 PolarHBondContact O-N 2.82Å; E77-K79 PolarHBondContact O-N 3.46Å
80K95.6Very high90.5Very high40 Ų4056.8 Ų56.817%0.17427%0.274CS..PPolyproline II helixtrans-93.2158.1177.4-63.3175.5-174.5-67.30110.5F54 K55 A57 I60 V75 S78 L82F54-K80 HydrophobicContact CE1-CD 4.06Å; F54-K80 HydrophobicContact CE2-CD 4.48Å; F54-K80 HydrophobicContact CZ-CD 4.03Å; F54-K80 WeakPolarHBondContact O-CE 3.19Å; F54-K80 PolarHBondContact O-NZ 2.74Å; K55-K80 PolarHBondContact O-NZ 3.44Å; A57-K80 WeakPolarHBondContact O-CD 3.42Å; A57-K80 PolarHBondContact O-NZ 3.08Å; I60-K80 HydrophobicContact CD1-CD 3.71Å; V75-K80 HydrophobicContact CG1-CB 3.9Å; V75-K80 PolarHBondContact O-N 3.39Å; V75-K80 VanDerWaalsContact O-N 3.1Å; S78-K80 PolarHBondContact O-N 2.91Å; K80-L82 PolarHBondContact O-N 3.07Å
81T94.4Very high89Confident50 Ų5059.5 Ų59.531%0.30729%0.289SS..EExtended strand (participates in β ladder)trans-73.2119.4175.2-61.80000109.8R58 T59 I60 L83 K96R58-T81 PolarHBondContact O-N 3.42Å; T59-T81 CarbonylContact C-O 3.59Å; T59-T81 WeakPolarHBondContact CA-O 3.21Å; T59-T81 HydrophobicContact CG2-CG2 3.96Å; I60-T81 PolarHBondContact N-O 2.92Å; T81-L83 HydrophobicContact CG2-CD2 4.18Å; T81-K96 HydrophobicContact CG2-CD 4.28Å; T81-K96 HydrophobicContact CG2-CG 3.99Å
82L94.9Very high88Confident0 Ų059.3 Ų59.30%029%0.289CS..EExtended strand (participates in β ladder)trans-97.4123.8175.9174.960.8000111V62 R72 V75 L76 K80 V84 K96 I97V62-L82 HydrophobicContact CB-CD1 3.95Å; V62-L82 HydrophobicContact CG2-CD1 3.71Å; R72-L82 HydrophobicContact CB-CD2 3.83Å; R72-L82 HydrophobicContact CG-CD1 4.14Å; R72-L82 HydrophobicContact CG-CD2 4.04Å; V75-L82 HydrophobicContact CB-CB 4.47Å; V75-L82 HydrophobicContact CB-CD1 4.3Å; V75-L82 HydrophobicContact CG1-CB 3.75Å; V75-L82 HydrophobicContact CG1-CD1 4.12Å; V75-L82 HydrophobicContact CG1-CG 4.47Å; V75-L82 HydrophobicContact CG2-CD1 4.43Å; L76-L82 HydrophobicContact CD1-CD2 4.1Å; L76-L82 HydrophobicContact CD2-CB 3.75Å; L76-L82 HydrophobicContact CD2-CD2 3.93Å; L76-L82 HydrophobicContact CD2-CG 4.5Å; L76-L82 HydrophobicContact CG-CB 4.42Å; L76-L82 HydrophobicContact CG-CD2 3.87Å; K80-L82 PolarHBondContact O-N 3.07Å; L82-V84 HydrophobicContact CD1-CG2 4.21Å; L82-V84 HydrophobicContact CD2-CG2 4.16Å; L82-V84 HydrophobicContact CG-CG2 3.98Å; L82-K96 WeakPolarHBondContact O-CA 3.42Å; L82-I97 HydrophobicContact CB-CB 4.23Å; L82-I97 HydrophobicContact CD2-CB 4.05Å; L82-I97 HydrophobicContact CD2-CG1 4.07Å; L82-I97 HydrophobicContact CD2-CG2 4.36Å; L82-I97 HydrophobicContact CG-CB 4.22Å; L82-I97 HydrophobicContact CG-CG1 4.23Å; L82-I97 PolarHBondContact O-N 3.02Å
83L93Very high87.3Confident24 Ų2461.9 Ų61.913%0.12630%0.303CS..EExtended strand (participates in β ladder)trans-107.9128.8170.5-58.2-175.7000110.4T59 I60 K61 V62 T81 F94 K96 I127T59-L83 HydrophobicContact CG2-CD1 3.69Å; T59-L83 HydrophobicContact CG2-CG 3.83Å; I60-L83 PolarHBondContact O-N 3.37Å; K61-L83 CarbonylContact C-O 3.58Å; K61-L83 VanDerWaalsContact CA-O 3.25Å; K61-L83 WeakPolarHBondContact CA-O 3.34Å; K61-L83 HydrophobicContact CB-CB 4.15Å; K61-L83 HydrophobicContact CG-CB 4.44Å; V62-L83 PolarHBondContact N-O 3.13Å; T81-L83 HydrophobicContact CG2-CD2 4.18Å; L83-F94 HydrophobicContact CB-CB 4.21Å; L83-F94 HydrophobicContact CB-CD1 4.37Å; L83-F94 HydrophobicContact CB-CG 4.36Å; L83-K96 HydrophobicContact CD2-CB 3.89Å; L83-K96 HydrophobicContact CD2-CG 4.2Å; L83-I127 HydrophobicContact CD1-CD1 4.19Å; L83-I127 HydrophobicContact CD2-CD1 3.51Å
84V91.6Very high86.8Confident14 Ų1463.8 Ų63.89%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-120.3126.1176.8-175.90000109.4P64 L82 T86 F94 N95 I97P64-V84 HydrophobicContact CB-CG1 3.85Å; P64-V84 HydrophobicContact CG-CG1 4.42Å; L82-V84 HydrophobicContact CD1-CG2 4.21Å; L82-V84 HydrophobicContact CD2-CG2 4.16Å; L82-V84 HydrophobicContact CG-CG2 3.98Å; V84-T86 PolarHBondContact O-N 3.05Å; V84-F94 CarbonylContact O-C 3.58Å; V84-F94 WeakPolarHBondContact O-CA 3.46Å; V84-N95 PolarHBondContact N-O 2.87Å; V84-N95 PolarHBondContact O-N 3.2Å; V84-I97 HydrophobicContact CG2-CD1 4.46Å; V84-I97 HydrophobicContact CG2-CG1 3.85Å
85P88.2Confident86.2Confident25 Ų2563.6 Ų63.616%0.16231%0.312CS..EExtended strand (participates in β ladder)trans-54.8138.3176.5-27.534.8000112.9K61 V62 L93 F94K61-P85 HydrophobicContact CD-CG 4.44Å; V62-P85 VanDerWaalsContact O-CD 3.25Å; V62-P85 WeakPolarHBondContact O-CD 3.09Å; P85-L93 WeakPolarHBondContact CA-O 3.41Å; P85-F94 HydrophobicContact CB-CD1 4.47Å; P85-F94 HydrophobicContact CG-CD1 4.17Å; P85-F94 HydrophobicContact CG-CE1 4.05Å
86T82.1Confident85.8Confident13 Ų1366.8 Ų66.88%0.0833%0.325CS..PPolyproline II helixtrans-77.4125.4174-44.10000109.6V84 R88 L89 G92 L93 N95V84-T86 PolarHBondContact O-N 3.05Å; T86-R88 PolarHBondContact O-N 3.17Å; T86-L89 PolarHBondContact O-N 2.72Å; T86-G92 WeakPolarHBondContact CB-O 3.32Å; T86-G92 PolarHBondContact OG1-O 2.81Å; T86-L93 PolarHBondContact N-O 2.9Å; T86-L93 VanDerWaalsContact N-O 3.09Å; T86-N95 PolarHBondContact OG1-OD1 3.1Å; T86-N95 VanDerWaalsContact OG1-OD1 3.12Å
87P73.6Confident85.4Confident92 Ų9267.1 Ų67.160%0.59733%0.327SS*.G310 helixtrans-55.9135.3176.7-2533.9000111.4L89P87-L89 PolarHBondContact O-N 3.11Å
88R73.9Confident84.8Confident204 Ų20466.6 Ų66.677%0.7733%0.328SS*.G310 helixtrans60.810.8175.3-49.2178.6-176.7-171-0.1115.4T86 R90T86-R88 PolarHBondContact O-N 3.17Å; R88-R90 HydrophobicContact CB-CG 4.26Å; R88-R90 PolarHBondContact O-N 3.13Å
89L73.8Confident84.3Confident115 Ų11565.9 Ų65.960%0.60232%0.322SS*.G310 helixtrans52.322.3172.2-57.5177.3000116.3T86 P87 T91 L93T86-L89 PolarHBondContact O-N 2.72Å; P87-L89 PolarHBondContact O-N 3.11Å; L89-T91 VanDerWaalsContact C-N 3.34Å; L89-T91 PolarHBondContact O-N 3.39Å; L89-L93 HydrophobicContact CD2-CD2 4.11Å
90R67.9Low83.9Confident198 Ų19858.7 Ų58.775%0.74730%0.296SS*.SBendtrans-70-25.8-170.4-70-174.3174.5-177.2-5.1114.7R88R88-R90 HydrophobicContact CB-CG 4.26Å; R88-R90 PolarHBondContact O-N 3.13Å
91T66.5Low83.4Confident81 Ų8163.2 Ų63.250%0.49733%0.33SS..SBendtrans-133.7-6.9-169.644.80000114.3L89 R126L89-T91 VanDerWaalsContact C-N 3.34Å; L89-T91 PolarHBondContact O-N 3.39Å; T91-R126 WeakPolarHBondContact O-CD 3.44Å; T91-R126 PolarHBondContact OG1-NH1 3.24Å
92G75.4Confident83.2Confident12 Ų1264.7 Ų64.712%0.12436%0.355CS..  trans170172.7-178.200000111.3T86T86-G92 WeakPolarHBondContact CB-O 3.32Å; T86-G92 PolarHBondContact OG1-O 2.81Å
93L83.9Confident82.9Confident59 Ų5966 Ų6631%0.30937%0.365SS..SBendtrans-85.8-46.2179.6-66.9-179.2000111.8P85 T86 L89 I127 K129P85-L93 WeakPolarHBondContact CA-O 3.41Å; T86-L93 PolarHBondContact N-O 2.9Å; T86-L93 VanDerWaalsContact N-O 3.09Å; L89-L93 HydrophobicContact CD2-CD2 4.11Å; L93-I127 PolarHBondContact N-O 3.18Å; L93-K129 HydrophobicContact CD1-CG 3.82Å; L93-K129 HydrophobicContact CD2-CG 4.41Å; L93-K129 HydrophobicContact CG-CG 4.14Å
94F86.5Confident83Confident60 Ų6068.5 Ų68.526%0.26338%0.382SS..EExtended strand (participates in β ladder)trans-134.7148.7-176.4-55.1-75.9000112.1K61 L83 V84 P85 I127K61-F94 HydrophobicContact CD-CE1 4.38Å; K61-F94 HydrophobicContact CG-CD1 4.1Å; K61-F94 HydrophobicContact CG-CE1 3.7Å; L83-F94 HydrophobicContact CB-CB 4.21Å; L83-F94 HydrophobicContact CB-CD1 4.37Å; L83-F94 HydrophobicContact CB-CG 4.36Å; V84-F94 CarbonylContact O-C 3.58Å; V84-F94 WeakPolarHBondContact O-CA 3.46Å; P85-F94 HydrophobicContact CB-CD1 4.47Å; P85-F94 HydrophobicContact CG-CD1 4.17Å; P85-F94 HydrophobicContact CG-CE1 4.05Å; F94-I127 HydrophobicContact CB-CB 4.38Å; F94-I127 PolarHBondContact N-O 3.43Å; F94-I127 PolarHBondContact O-N 2.87Å
95N86.3Confident83.1Confident30 Ų3073.3 Ų73.316%0.1640%0.402CS..EExtended strand (participates in β ladder)trans-99.1119.8166.7-69-11.7000107.8V84 T86 Q124 R126V84-N95 PolarHBondContact N-O 2.87Å; V84-N95 PolarHBondContact O-N 3.2Å; T86-N95 PolarHBondContact OG1-OD1 3.1Å; T86-N95 VanDerWaalsContact OG1-OD1 3.12Å; N95-Q124 HydrophobicContact CB-CG 4.06Å; N95-R126 PolarHBondContact OD1-NH1 2.98Å
96K89.3Confident83.3Confident67 Ų6776.7 Ų76.729%0.29142%0.418SS..EExtended strand (participates in β ladder)trans-83.2116171.1179.1-173.9169.1-164.90109.4T81 L82 L83 Q124 D125T81-K96 HydrophobicContact CG2-CD 4.28Å; T81-K96 HydrophobicContact CG2-CG 3.99Å; L82-K96 WeakPolarHBondContact O-CA 3.42Å; L83-K96 HydrophobicContact CD2-CB 3.89Å; L83-K96 HydrophobicContact CD2-CG 4.2Å; K96-Q124 PolarHBondContact O-NE2 2.78Å; K96-D125 HydrophobicContact CB-CB 4.22Å; K96-D125 WeakPolarHBondContact CB-O 3.42Å; K96-D125 HydrophobicContact CD-CB 4.29Å; K96-D125 PolarHBondContact N-O 3.21Å; K96-D125 IonicContact NZ-OD2 2.92Å
97I87.9Confident83.7Confident17 Ų1778.9 Ų78.99%0.08743%0.429CS..EExtended strand (participates in β ladder)trans-88.9119.8-176.7-58.3-79.8000109.1L76 L82 V84 C111 L121L76-I97 HydrophobicContact CD1-CG2 4.17Å; L76-I97 HydrophobicContact CD2-CB 4.47Å; L76-I97 HydrophobicContact CD2-CG2 4.04Å; L82-I97 HydrophobicContact CB-CB 4.23Å; L82-I97 HydrophobicContact CD2-CB 4.05Å; L82-I97 HydrophobicContact CD2-CG1 4.07Å; L82-I97 HydrophobicContact CD2-CG2 4.36Å; L82-I97 HydrophobicContact CG-CB 4.22Å; L82-I97 HydrophobicContact CG-CG1 4.23Å; L82-I97 PolarHBondContact O-N 3.02Å; V84-I97 HydrophobicContact CG2-CD1 4.46Å; V84-I97 HydrophobicContact CG2-CG1 3.85Å; I97-C111 HydrophobicContact CG2-CB 4.28Å; I97-L121 HydrophobicContact CD1-CD2 4.12Å; I97-L121 HydrophobicContact CG2-CD2 3.66Å
98T84.3Confident84.7Confident48 Ų4875.3 Ų75.329%0.29440%0.404SS..  trans-118.6110.2178.2-48.30000109.4G122 R123T98-G122 CarbonylContact O-C 3.59Å; T98-G122 VanDerWaalsContact O-CA 3.23Å; T98-G122 WeakPolarHBondContact O-CA 3.38Å; T98-G122 PolarHBondContact O-N 3.41Å; T98-R123 WeakPolarHBondContact CB-O 3.23Å; T98-R123 PolarHBondContact OG1-O 3.37Å; T98-R123 VanDerWaalsContact OG1-O 3.14Å
99P86.9Confident85.6Confident34 Ų3470.9 Ų70.922%0.22139%0.388CS..PPolyproline II helixtrans-62.8152.1171.6-2133.5000111.4L76 A103 L108L76-P99 HydrophobicContact CB-CG 4.42Å; L76-P99 HydrophobicContact CD1-CG 4.43Å; L76-P99 HydrophobicContact CD2-CG 3.83Å; L76-P99 HydrophobicContact CG-CG 4.46Å; P99-A103 HydrophobicContact CB-CB 3.84Å; P99-L108 HydrophobicContact CB-CD2 3.59Å; P99-L108 HydrophobicContact CG-CD2 3.57Å
100P85.9Confident86.4Confident49 Ų4972.1 Ų72.132%0.31839%0.388SS..PPolyproline II helixtrans-62.1153.4172.327-33.5000111.2G102 A103 I107P100-G102 PolarHBondContact O-N 2.92Å; P100-A103 HydrophobicContact CG-CB 4.14Å; P100-A103 VanDerWaalsContact O-CB 3.26Å; P100-A103 WeakPolarHBondContact O-CB 3.41Å; P100-A103 PolarHBondContact O-N 3.35Å; P100-A103 VanDerWaalsContact O-N 3.14Å; P100-I107 HydrophobicContact CG-CG2 3.76Å
101P86.1Confident87.4Confident136 Ų13662.8 Ų62.888%0.88335%0.353SS*.THydrogen-bonded Turntrans-53.4136.3173.8-24.734.2000111.4A103P101-A103 VanDerWaalsContact C-N 3.27Å; P101-A103 PolarHBondContact O-N 3.09Å
102G88.6Confident88.7Confident81 Ų8158.9 Ų58.984%0.83533%0.33SS*.THydrogen-bonded Turntrans70.715.5-179.100000115.3P100 T104P100-G102 PolarHBondContact O-N 2.92Å; G102-T104 PolarHBondContact O-N 2.83Å
103A88.8Confident89.3Confident26 Ų2660.1 Ų60.122%0.21534%0.335CS..  trans-52.9125.3-179.900000113.3P99 P100 P101 I107 L108P99-A103 HydrophobicContact CB-CB 3.84Å; P100-A103 HydrophobicContact CG-CB 4.14Å; P100-A103 VanDerWaalsContact O-CB 3.26Å; P100-A103 WeakPolarHBondContact O-CB 3.41Å; P100-A103 PolarHBondContact O-N 3.35Å; P100-A103 VanDerWaalsContact O-N 3.14Å; P101-A103 VanDerWaalsContact C-N 3.27Å; P101-A103 PolarHBondContact O-N 3.09Å; A103-I107 HydrophobicContact CB-CB 4.04Å; A103-I107 HydrophobicContact CB-CG2 3.71Å; A103-L108 HydrophobicContact CB-CD2 3.77Å; A103-L108 HydrophobicContact CB-CG 4.45Å
104T94.8Very high88.5Confident77 Ų7761 Ų6147%0.47235%0.346SS..  trans-72.3164.6171.668.20000111.3G102 D106 I107 L108G102-T104 PolarHBondContact O-N 2.83Å; T104-D106 PolarHBondContact O-N 3.11Å; T104-D106 VanDerWaalsContact O-N 3.15Å; T104-I107 WeakPolarHBondContact O-CA 3.2Å; T104-I107 WeakPolarHBondContact O-CB 3.23Å; T104-I107 PolarHBondContact O-N 3.37Å; T104-I107 PolarHBondContact OG1-N 2.99Å; T104-L108 WeakPolarHBondContact O-CG 3.08Å; T104-L108 PolarHBondContact O-N 3.27Å
105K95.1Very high87Confident116 Ų11666.1 Ų66.150%0.50437%0.371SS..Hα-helixtrans-54.7-35176.6-64.6-166.6-176-150.60112.7F73 E77 L108 R109F73-K105 HydrophobicContact CE2-CB 4.34Å; F73-K105 HydrophobicContact CZ-CB 4.43Å; E77-K105 WeakPolarHBondContact OE1-CD 3.13Å; E77-K105 WeakPolarHBondContact OE1-CE 3.45Å; E77-K105 IonicContact OE1-NZ 2.69Å; E77-K105 PolarHBondContact OE1-NZ 3.05Å; K105-L108 PolarHBondContact O-N 3.14Å; K105-R109 WeakPolarHBondContact O-CG 3.44Å; K105-R109 PolarHBondContact O-N 3.2Å
106D92.8Very high85.2Confident95 Ų9566.5 Ų66.551%0.50837%0.374SS..Hα-helixtrans-68.3-37.8177.4-65.5-32.6000112.6T104 L108 R109 K110T104-D106 PolarHBondContact O-N 3.11Å; T104-D106 VanDerWaalsContact O-N 3.15Å; D106-L108 VanDerWaalsContact C-N 3.33Å; D106-R109 PolarHBondContact O-N 3.2Å; D106-R109 IonicContact OD1-CZ 3.14Å; D106-R109 IonicContact OD1-NH1 2.65Å; D106-R109 PolarHBondContact OD1-NH1 3.44Å; D106-K110 WeakPolarHBondContact O-CG 3.19Å; D106-K110 PolarHBondContact O-N 3.34Å
107I90.6Very high83Confident59 Ų5966.3 Ų66.330%0.30338%0.379SS..Hα-helixtrans-63.7-42.7172-65.1171.4000109.7P100 A103 T104 R109 K110 C111P100-I107 HydrophobicContact CG-CG2 3.76Å; A103-I107 HydrophobicContact CB-CB 4.04Å; A103-I107 HydrophobicContact CB-CG2 3.71Å; T104-I107 WeakPolarHBondContact O-CA 3.2Å; T104-I107 WeakPolarHBondContact O-CB 3.23Å; T104-I107 PolarHBondContact O-N 3.37Å; T104-I107 PolarHBondContact OG1-N 2.99Å; I107-R109 VanDerWaalsContact C-N 3.34Å; I107-R109 PolarHBondContact O-N 3.24Å; I107-K110 WeakPolarHBondContact O-CB 3.22Å; I107-K110 PolarHBondContact O-N 3.02Å; I107-C111 PolarHBondContact O-N 2.97Å; I107-C111 PolarHBondContact O-SG 2.76Å
108L93Very high81.1Confident17 Ų1769.6 Ų69.69%0.08940%0.402CS..Hα-helixtrans-62.9-38.5176.5-58.4-174000112.3F73 L76 E77 P99 A103 T104 K105 D106 K110 C111 A112F73-L108 HydrophobicContact CD2-CB 3.92Å; F73-L108 HydrophobicContact CE2-CB 3.87Å; L76-L108 HydrophobicContact CB-CD2 4.2Å; E77-L108 HydrophobicContact CB-CD1 4.14Å; P99-L108 HydrophobicContact CB-CD2 3.59Å; P99-L108 HydrophobicContact CG-CD2 3.57Å; A103-L108 HydrophobicContact CB-CD2 3.77Å; A103-L108 HydrophobicContact CB-CG 4.45Å; T104-L108 WeakPolarHBondContact O-CG 3.08Å; T104-L108 PolarHBondContact O-N 3.27Å; K105-L108 PolarHBondContact O-N 3.14Å; D106-L108 VanDerWaalsContact C-N 3.33Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.38Å; L108-C111 WeakPolarHBondContact O-CB 3.45Å; L108-C111 PolarHBondContact O-N 2.92Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 3.02Å
109R93.5Very high79.1Confident112 Ų11275.8 Ų75.842%0.42343%0.428SS..Hα-helixtrans-62.6-38.8174.5-73.1177.9-171.5107.61.7111.9F73 K105 D106 I107 A112F73-R109 HydrophobicContact CD2-CB 4.41Å; F73-R109 HydrophobicContact CD2-CG 3.59Å; F73-R109 HydrophobicContact CE2-CG 3.69Å; F73-R109 HydrophobicContact CG-CG 4.4Å; K105-R109 WeakPolarHBondContact O-CG 3.44Å; K105-R109 PolarHBondContact O-N 3.2Å; D106-R109 PolarHBondContact O-N 3.2Å; D106-R109 IonicContact OD1-CZ 3.14Å; D106-R109 IonicContact OD1-NH1 2.65Å; D106-R109 PolarHBondContact OD1-NH1 3.44Å; I107-R109 VanDerWaalsContact C-N 3.34Å; I107-R109 PolarHBondContact O-N 3.24Å; R109-A112 PolarHBondContact O-N 2.87Å
110K90.6Very high77Confident140 Ų14084.3 Ų84.361%0.60946%0.455SS*.Hα-helixtrans-64.6-47.5172.7-68.4172.4-177.6177.90110.5D106 I107 L108 A112 T113 V116D106-K110 WeakPolarHBondContact O-CG 3.19Å; D106-K110 PolarHBondContact O-N 3.34Å; I107-K110 WeakPolarHBondContact O-CB 3.22Å; I107-K110 PolarHBondContact O-N 3.02Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.38Å; K110-A112 PolarHBondContact O-N 3.06Å; K110-T113 PolarHBondContact O-N 3.09Å; K110-T113 PolarHBondContact O-OG1 3.39Å; K110-V116 WeakPolarHBondContact O-CG2 3.49Å
111C89.8Confident75Confident2 Ų282.8 Ų82.81%0.01445%0.445CS..Hα-helixtrans-55.9-34.3175.9-63.10000113.5L76 I97 I107 L108 T113 L121L76-C111 HydrophobicContact CD1-CB 3.43Å; L76-C111 VanDerWaalsContact CD1-CB 3.43Å; I97-C111 HydrophobicContact CG2-CB 4.28Å; I107-C111 PolarHBondContact O-N 2.97Å; I107-C111 PolarHBondContact O-SG 2.76Å; L108-C111 WeakPolarHBondContact O-CB 3.45Å; L108-C111 PolarHBondContact O-N 2.92Å; C111-T113 PolarHBondContact O-N 3.37Å; C111-L121 VanDerWaalsContact CA-CD1 3.48Å; C111-L121 VanDerWaalsContact CA-CD2 3.49Å; C111-L121 HydrophobicContact CB-CD1 3.91Å; C111-L121 HydrophobicContact CB-CD2 3.7Å; C111-L121 HydrophobicContact CB-CG 4.06Å; C111-L121 WeakPolarHBondContact SG-CD1 3.26Å
112A91.9Very high73.4Confident0 Ų077.5 Ų77.50%041%0.414CS..THydrogen-bonded Turntrans-76.6-4.9-179.700000113.8R72 F73 L76 L108 R109 K110R72-A112 HydrophobicContact CB-CB 3.85Å; R72-A112 PolarHBondContact NE-O 3.31Å; R72-A112 PolarHBondContact NH2-O 3.34Å; F73-A112 HydrophobicContact CB-CB 3.91Å; L76-A112 HydrophobicContact CD1-CB 4.5Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 3.02Å; R109-A112 PolarHBondContact O-N 2.87Å; K110-A112 PolarHBondContact O-N 3.06Å
113T88.7Confident71.7Confident37 Ų3783.4 Ų83.423%0.22741%0.412CS..SBendtrans-81.9151.8175.6650000111.7K69 K110 C111 Q115 V116K69-T113 HydrophobicContact CD-CG2 4.2Å; K110-T113 PolarHBondContact O-N 3.09Å; K110-T113 PolarHBondContact O-OG1 3.39Å; C111-T113 PolarHBondContact O-N 3.37Å; T113-Q115 PolarHBondContact O-N 2.71Å; T113-V116 WeakPolarHBondContact OG1-CG2 3.41Å
114S67.9Low70.1Confident79 Ų7984.3 Ų84.355%0.55241%0.411SS*.THydrogen-bonded Turntrans-78.2-1.2174.343.90000113.7P64P64-S114 VanDerWaalsContact O-CB 3.32Å; P64-S114 WeakPolarHBondContact O-CB 3.44Å; P64-S114 PolarHBondContact O-OG 3.14Å
115Q54.8Low68.5Low166 Ų16683.7 Ų83.778%0.77641%0.405SS*.THydrogen-bonded Turntrans-104.3-2.8-168.2-67.9-179-3.100114.2T113 P117T113-Q115 PolarHBondContact O-N 2.71Å; Q115-P117 VanDerWaalsContact O-CD 3.23Å; Q115-P117 WeakPolarHBondContact O-CD 3.37Å
116V48.3Very low67.1Low38 Ų3883.7 Ų83.723%0.2340%0.402CS..  trans-77.5120.8-175.7-1630000109.7K110 T113 R120 L121K110-V116 WeakPolarHBondContact O-CG2 3.49Å; T113-V116 WeakPolarHBondContact OG1-CG2 3.41Å; V116-R120 HydrophobicContact CG1-CB 3.83Å; V116-L121 HydrophobicContact CB-CD1 4.09Å; V116-L121 HydrophobicContact CG1-CB 4.03Å; V116-L121 HydrophobicContact CG1-CD1 3.72Å; V116-L121 HydrophobicContact CG1-CG 4.41Å; V116-L121 HydrophobicContact CG2-CD1 4.02Å
117P43.4Very low65.6Low63 Ų6382.2 Ų82.241%0.40939%0.393SS..  trans-58.6145.9170.9-20.333000109.8Q115 E119 R120Q115-P117 VanDerWaalsContact O-CD 3.23Å; Q115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-E119 PolarHBondContact O-N 3.24Å; P117-R120 PolarHBondContact O-N 3.13Å
118P46.9Very low63.8Low86 Ų8681.8 Ų81.856%0.55840%0.395SS*.THydrogen-bonded Turntrans-52.8-21.3-175.9-25.432.7000115.1
119E41.8Very low61.6Low179 Ų17989.7 Ų89.784%0.83643%0.429SS*.THydrogen-bonded Turntrans-82.9-19.3-175.3-62.4159.8-14900113.9P117P117-E119 PolarHBondContact O-N 3.24Å
120R42.9Very low58.8Low212 Ų21290.4 Ų90.480%0.845%0.446SS*.THydrogen-bonded Turntrans-107.1-6.2-173.1-66-169.5-175-171.21.3114.8V116 P117V116-R120 HydrophobicContact CG1-CB 3.83Å; P117-R120 PolarHBondContact O-N 3.13Å
121L45.2Very low55.9Low18 Ų1888.2 Ų88.29%0.09445%0.448CS..SBendtrans-110.6149.3169.6-132.570.2000106.9I97 C111 V116I97-L121 HydrophobicContact CD1-CD2 4.12Å; I97-L121 HydrophobicContact CG2-CD2 3.66Å; C111-L121 VanDerWaalsContact CA-CD1 3.48Å; C111-L121 VanDerWaalsContact CA-CD2 3.49Å; C111-L121 HydrophobicContact CB-CD1 3.91Å; C111-L121 HydrophobicContact CB-CD2 3.7Å; C111-L121 HydrophobicContact CB-CG 4.06Å; C111-L121 WeakPolarHBondContact SG-CD1 3.26Å; V116-L121 HydrophobicContact CB-CD1 4.09Å; V116-L121 HydrophobicContact CG1-CB 4.03Å; V116-L121 HydrophobicContact CG1-CD1 3.72Å; V116-L121 HydrophobicContact CG1-CG 4.41Å; V116-L121 HydrophobicContact CG2-CD1 4.02Å
122G51.7Low53.1Low24 Ų2493.4 Ų93.425%0.24748%0.484CS..SBendtrans-51166.8176.700000112.9T98 Q124T98-G122 CarbonylContact O-C 3.59Å; T98-G122 VanDerWaalsContact O-CA 3.23Å; T98-G122 WeakPolarHBondContact O-CA 3.38Å; T98-G122 PolarHBondContact O-N 3.41Å; G122-Q124 PolarHBondContact O-N 3.46Å; G122-Q124 VanDerWaalsContact O-N 3.13Å
123R52.8Low50.5Low206 Ų206101.2 Ų101.278%0.77752%0.524SS*.  trans-36.5116.2-172.2-158.3-177.6-153.4158.93.8113.2T98T98-R123 WeakPolarHBondContact CB-O 3.23Å; T98-R123 PolarHBondContact OG1-O 3.37Å; T98-R123 VanDerWaalsContact OG1-O 3.14Å
124Q55.3Low47.8Very low45 Ų45102 Ų10221%0.2154%0.539CS..  trans-94.297.9176.5-169.493.177.700109N95 K96 G122 R126N95-Q124 HydrophobicContact CB-CG 4.06Å; K96-Q124 PolarHBondContact O-NE2 2.78Å; G122-Q124 PolarHBondContact O-N 3.46Å; G122-Q124 VanDerWaalsContact O-N 3.13Å; Q124-R126 PolarHBondContact O-N 2.97Å
125D60.5Low46Very low64 Ų64105.8 Ų105.834%0.34255%0.553SS.*EExtended strand (participates in β ladder)trans-78.3125.5174.7-57.3-35.4000108.9K96K96-D125 HydrophobicContact CB-CB 4.22Å; K96-D125 WeakPolarHBondContact CB-O 3.42Å; K96-D125 HydrophobicContact CD-CB 4.29Å; K96-D125 PolarHBondContact N-O 3.21Å; K96-D125 IonicContact NZ-OD2 2.92Å
126R65.9Low44.8Very low116 Ų116103.8 Ų103.844%0.43856%0.556SS.*EExtended strand (participates in β ladder)trans-89.2121.8177.8-160.1-174.1-59.9-85.28.2109.6T91 N95 Q124T91-R126 WeakPolarHBondContact O-CD 3.44Å; T91-R126 PolarHBondContact OG1-NH1 3.24Å; N95-R126 PolarHBondContact OD1-NH1 2.98Å; Q124-R126 PolarHBondContact O-N 2.97Å
127I61.6Low44Very low63 Ų63109.7 Ų109.732%0.32359%0.585SS.*EExtended strand (participates in β ladder)trans-93.3107.7178.2-53.3-178.5000108.1L83 L93 F94L83-I127 HydrophobicContact CD1-CD1 4.19Å; L83-I127 HydrophobicContact CD2-CD1 3.51Å; L93-I127 PolarHBondContact N-O 3.18Å; F94-I127 HydrophobicContact CB-CB 4.38Å; F94-I127 PolarHBondContact N-O 3.43Å; F94-I127 PolarHBondContact O-N 2.87Å
128S54Low43.6Very low50 Ų50112.6 Ų112.635%0.3560%0.602SS.*  trans-89.7164.5177.1-570000111.2T130S128-T130 PolarHBondContact O-N 3.34Å; S128-T130 VanDerWaalsContact O-N 3.1Å
129K46.1Very low43Very low184 Ų184114 Ų11480%0.861%0.614SS**SBendtrans-57.7-19.8173.8-80.7-176.2177.5-179.20113.6L93 C131L93-K129 HydrophobicContact CD1-CG 3.82Å; L93-K129 HydrophobicContact CD2-CG 4.41Å; L93-K129 HydrophobicContact CG-CG 4.14Å; K129-C131 PolarHBondContact O-N 3.07Å
130T34.1Very low42.6Very low127 Ų127110.9 Ų110.978%0.77961%0.612SS**  trans-81.162.7171.852.50000110.5S128S128-T130 PolarHBondContact O-N 3.34Å; S128-T130 VanDerWaalsContact O-N 3.1Å
131C29.8Very low42Very low94 Ų94108.3 Ų108.364%0.63561%0.614SS**  trans-94108.5146.8-1590000103.4K129 I133K129-C131 PolarHBondContact O-N 3.07Å; C131-I133 PolarHBondContact O-N 2.89Å
132S32Very low41.1Very low110 Ų110119 Ų11977%0.76965%0.653SS**  trans-50.5109.9166.8-62.40000106.1G134S132-G134 PolarHBondContact O-N 3.42Å
133I36.4Very low40.1Very low165 Ų165122.5 Ų122.585%0.84667%0.674SS**  trans-71.873.4172-54169.5000104.7C131C131-I133 PolarHBondContact O-N 2.89Å
134G31.2Very low39.3Very low52 Ų52118.1 Ų118.154%0.53667%0.67SS.*SBendtrans-140.9100.7178.300000105.4S132S132-G134 PolarHBondContact O-N 3.42Å
135N31Very low38.3Very low160 Ų160121.3 Ų121.386%0.85670%0.695SS**SBendtrans90.521.1169.8-61.9-2.2000120.4
136C29Very low37.3Very low123 Ų123122.2 Ų122.283%0.83171%0.711SS**SBendtrans-137.531.7169.8-119.70000115.5
137L32.3Very low36.1Very low162 Ų162122.8 Ų122.885%0.84873%0.73SS**  trans-151.265.4162-73.5179.4000109.7
138T35.4Very low35.7Very low125 Ų125126.4 Ų126.477%0.76775%0.754SS**  trans-115.2135156.751.70000108.4
139S34.6Very low35.2Very low115 Ų115130.1 Ų130.180%0.80477%0.77SS**SBendtrans73.680.5176.160.40000116.7
140S33.6Very low35.3Very low113 Ų113127.6 Ų127.679%0.7977%0.773SS**  trans-166.7100.1131.5-71.30000106.9W142S140-W142 PolarHBondContact O-N 3.26Å
141N29.3Very low35.9Very low158 Ų158125.2 Ų125.285%0.84577%0.766SS**  trans-50.9115.5173-82.6-15.1000109.5S143N141-S143 PolarHBondContact O-N 2.69Å
142W25.8Very low36.6Very low242 Ų242136.1 Ų136.192%0.91779%0.793SS**  trans-7777.7166.4-121.860000107.6S140 V144S140-W142 PolarHBondContact O-N 3.26Å; W142-V144 HydrophobicContact CE3-CG2 4.22Å; W142-V144 HydrophobicContact CZ3-CG2 4.47Å; W142-V144 PolarHBondContact O-N 3.36Å
143S31.2Very low36.8Very low98 Ų98137.4 Ų137.469%0.68580%0.795SS**  trans-82.1105.5167.3-62.10000107.6N141 P145N141-S143 PolarHBondContact O-N 2.69Å; S143-P145 WeakPolarHBondContact O-CD 3.43Å
144V35.7Very low36.8Very low114 Ų114135.9 Ų135.969%0.69179%0.792SS**PPolyproline II helixtrans-72.9116.1163.2-177.10000106.1W142 A146W142-V144 HydrophobicContact CE3-CG2 4.22Å; W142-V144 HydrophobicContact CZ3-CG2 4.47Å; W142-V144 PolarHBondContact O-N 3.36Å; V144-A146 PolarHBondContact O-N 3.48Å
145P35.4Very low37.1Very low113 Ų113140.6 Ų140.673%0.73481%0.806SS**PPolyproline II helixtrans-63.6131.1173.124.3-29.8000108.9S143S143-P145 WeakPolarHBondContact O-CD 3.43Å
146A39.1Very low37.5Very low82 Ų82139.5 Ų139.568%0.67880%0.803SS**PPolyproline II helixtrans-59.1146.7172.500000110V144 V148V144-A146 PolarHBondContact O-N 3.48Å; A146-V148 PolarHBondContact O-N 2.99Å
147P40Very low38Very low129 Ų129140.5 Ų140.584%0.83880%0.801SS**PPolyproline II helixtrans-61.4131.117524.9-31.3000109.9
148V52.8Low38.4Very low139 Ų139139.1 Ų139.184%0.84280%0.798SS**PPolyproline II helixtrans-76.1120.9171.8-169.30000107.2A146A146-V148 PolarHBondContact O-N 2.99Å
149D44.7Very low38.6Very low127 Ų127140.1 Ų140.168%0.67980%0.801SS**PPolyproline II helixtrans-76.1119.8175.6-168.9-6.5000109.5A151D149-A151 PolarHBondContact O-N 3.15Å; D149-A151 VanDerWaalsContact O-N 3.07Å
150P48.8Very low38.9Very low132 Ų132142 Ų14286%0.85780%0.8SS**SBendtrans-85.140-176.136.3-35.2000112.8
151A46.8Very low39.4Very low76 Ų76144.4 Ų144.463%0.62880%0.801SS**  trans-132.869.8175.300000111.3D149D149-A151 PolarHBondContact O-N 3.15Å; D149-A151 VanDerWaalsContact O-N 3.07Å
152R43Very low40.3Very low323 Ų323143.2 Ų143.2100%1.21980%0.797SS**  trans-157.70151.1-109.6-177.3-166-144.92.5110.6

Retrieved 152 of 152 residues in 202.4 ms (Link to these results)

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