A0A096NMB2_PAPAN Loading...

Cytosolic iron-sulfur assembly component 2A

AlphaFold DB (Q9H5X1), UniProt , Accession A0A096NMB2, Species PAPAN (Papio anubis, Olive baboon), Gene CIAO2A, Length 160 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
1M44.2Very low53.5Low238 Ų238139.5 Ų139.5100%1.17272%0.715SS**  089.20-75.5160.4157.800108.2
2Q46.1Very low54Low197 Ų197137.1 Ų137.192%0.92170%0.703SS**  trans17866.2175.3-105.6161.210.600111
3R51.9Low54.3Low247 Ų247131.5 Ų131.593%0.93268%0.684SS**  trans-156.862.3169.4-74.8-163.7178.5166.6-1.4110.5
4V53.9Low54.6Low113 Ų113135.8 Ų135.869%0.68569%0.687SS**  trans-141.7-8.6176.2-145.90000114.5
5S55.3Low54.8Low105 Ų105132.3 Ų132.373%0.73468%0.675SS**Hα-helixtrans-76.7-27.1-176.361.30000114.8S9S5-S9 PolarHBondContact O-N 3.47Å
6G51.7Low54.9Low42 Ų42129.6 Ų129.643%0.43366%0.662SS.*Hα-helixtrans-68.1-39.8-173.900000114.2S9 W10G6-S9 PolarHBondContact O-N 3.48Å; G6-W10 PolarHBondContact O-N 3.07Å
7L57Low54.9Low138 Ų138135.4 Ų135.472%0.72367%0.674SS**Hα-helixtrans-68.5-38.9-177-89.9134.9000112.6W10 T11L7-W10 PolarHBondContact O-N 3.08Å; L7-T11 WeakPolarHBondContact O-CG2 3.38Å; L7-T11 PolarHBondContact O-N 3.28Å; L7-T11 VanDerWaalsContact O-N 3.07Å; L7-T11 PolarHBondContact O-OG1 3.49Å; L7-T11 VanDerWaalsContact O-OG1 3.08Å
8L52.4Low55.2Low111 Ų111135.9 Ų135.958%0.58168%0.678SS**Hα-helixtrans-66.2-41.2179.2-74.6166.4000111.7T11 L12L8-T11 WeakPolarHBondContact CA-OG1 3.41Å; L8-T11 PolarHBondContact O-N 3.17Å; L8-T11 PolarHBondContact O-OG1 2.96Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 VanDerWaalsContact O-CG 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 3.28Å
9S57.9Low55.3Low65 Ų65132.5 Ų132.546%0.45567%0.669SS.*Hα-helixtrans-61.1-46.8177.4168.70000111.8S5 G6 T11 L12 S13S5-S9 PolarHBondContact O-N 3.47Å; G6-S9 PolarHBondContact O-N 3.48Å; S9-T11 PolarHBondContact O-N 3.47Å; S9-L12 PolarHBondContact O-N 2.95Å; S9-S13 PolarHBondContact O-N 2.87Å; S9-S13 PolarHBondContact O-OG 3.42Å
10W55.7Low55.3Low205 Ų205129.3 Ų129.378%0.77767%0.67SS**Hα-helixtrans-67.2-38.3-179.6-75.855.8000112.3G6 L7 R14G6-W10 PolarHBondContact O-N 3.07Å; L7-W10 PolarHBondContact O-N 3.08Å; W10-R14 VanDerWaalsContact O-CB 3.31Å; W10-R14 WeakPolarHBondContact O-CB 3.42Å; W10-R14 PolarHBondContact O-N 2.91Å
11T62Low55.1Low73 Ų73129.1 Ų129.145%0.44867%0.67SS.*Hα-helixtrans-66.7-38.7175.452.40000112.1L7 L8 S9 R14 V15L7-T11 WeakPolarHBondContact O-CG2 3.38Å; L7-T11 PolarHBondContact O-N 3.28Å; L7-T11 VanDerWaalsContact O-N 3.07Å; L7-T11 PolarHBondContact O-OG1 3.49Å; L7-T11 VanDerWaalsContact O-OG1 3.08Å; L8-T11 WeakPolarHBondContact CA-OG1 3.41Å; L8-T11 PolarHBondContact O-N 3.17Å; L8-T11 PolarHBondContact O-OG1 2.96Å; S9-T11 PolarHBondContact O-N 3.47Å; T11-R14 PolarHBondContact O-N 3.13Å; T11-V15 WeakPolarHBondContact O-CB 3.31Å; T11-V15 WeakPolarHBondContact O-CG2 3.46Å; T11-V15 PolarHBondContact O-N 3.06Å
12L60.3Low55.5Low111 Ų111122.1 Ų122.158%0.58165%0.645SS**Hα-helixtrans-68-45.5178.6-74168.8000111.3L8 S9 R14 V15 L16L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 VanDerWaalsContact O-CG 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.39Å; L8-L12 PolarHBondContact O-N 3.28Å; S9-L12 PolarHBondContact O-N 2.95Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.99Å; L12-V15 PolarHBondContact O-N 3.38Å; L12-L16 WeakPolarHBondContact O-CB 3.21Å; L12-L16 PolarHBondContact O-N 3.43Å
13S57.5Low56Low65 Ų65119.5 Ų119.546%0.45563%0.632SS.*Hα-helixtrans-59.6-41.5175.3-60.80000111.7S9 L16 W17S9-S13 PolarHBondContact O-N 2.87Å; S9-S13 PolarHBondContact O-OG 3.42Å; S13-L16 PolarHBondContact O-N 2.86Å; S13-W17 VanDerWaalsContact O-CD1 3.28Å; S13-W17 PolarHBondContact O-N 3.3Å
14R57.8Low56.3Low191 Ų191112.6 Ų112.672%0.72162%0.62SS**Hα-helixtrans-71-35.4179.9-163.9173.7177.5-163.8-1.2112.8W10 T11 L12 L18W10-R14 VanDerWaalsContact O-CB 3.31Å; W10-R14 WeakPolarHBondContact O-CB 3.42Å; W10-R14 PolarHBondContact O-N 2.91Å; T11-R14 PolarHBondContact O-N 3.13Å; L12-R14 VanDerWaalsContact C-N 3.3Å; L12-R14 PolarHBondContact O-N 2.99Å; R14-L18 HydrophobicContact CG-CD1 4.46Å; R14-L18 WeakPolarHBondContact O-CG 3.42Å; R14-L18 PolarHBondContact O-N 3.34Å; R14-L18 VanDerWaalsContact O-N 3.13Å
15V58.8Low56.5Low84 Ų84109.3 Ų109.351%0.50961%0.608SS.*Hα-helixtrans-67.3-41.9171.9170.20000110.3T11 L12 W17 L18 S19T11-V15 WeakPolarHBondContact O-CB 3.31Å; T11-V15 WeakPolarHBondContact O-CG2 3.46Å; T11-V15 PolarHBondContact O-N 3.06Å; L12-V15 PolarHBondContact O-N 3.38Å; V15-W17 PolarHBondContact O-N 2.61Å; V15-L18 PolarHBondContact O-N 3.2Å; V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.31Å; V15-S19 PolarHBondContact O-N 3.44Å; V15-S19 PolarHBondContact O-OG 3.48Å
16L55.7Low56.8Low89 Ų89107.3 Ų107.347%0.46660%0.598SS.*Hα-helixtrans-60.7-45.5177.1-128.681.6000111.8L12 S13 L18 S19L12-L16 WeakPolarHBondContact O-CB 3.21Å; L12-L16 PolarHBondContact O-N 3.43Å; S13-L16 PolarHBondContact O-N 2.86Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.97Å; L16-S19 PolarHBondContact O-N 3.24Å
17W55.5Low57.6Low228 Ų228108.2 Ų108.286%0.86460%0.602SS**Hα-helixtrans-60.3-39.5175.4-92.882.2000113S13 V15 S19S13-W17 VanDerWaalsContact O-CD1 3.28Å; S13-W17 PolarHBondContact O-N 3.3Å; V15-W17 PolarHBondContact O-N 2.61Å; W17-S19 VanDerWaalsContact C-N 3.34Å
18L59.3Low58.3Low144 Ų144109.7 Ų109.775%0.75460%0.598SS**Hα-helixtrans-76.2-21178.2-77.2164.3000113.4R14 V15 L16 G20R14-L18 HydrophobicContact CG-CD1 4.46Å; R14-L18 WeakPolarHBondContact O-CG 3.42Å; R14-L18 PolarHBondContact O-N 3.34Å; R14-L18 VanDerWaalsContact O-N 3.13Å; V15-L18 PolarHBondContact O-N 3.2Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 2.97Å; L18-G20 VanDerWaalsContact C-N 3.31Å; L18-G20 PolarHBondContact O-N 3.45Å
19S57.6Low59.4Low71 Ų71107.5 Ų107.550%0.49758%0.584SS.*THydrogen-bonded Turntrans-87.15.1-174.4-55.60000113.6V15 L16 W17 L21V15-S19 VanDerWaalsContact O-CB 3.31Å; V15-S19 WeakPolarHBondContact O-CB 3.31Å; V15-S19 PolarHBondContact O-N 3.44Å; V15-S19 PolarHBondContact O-OG 3.48Å; L16-S19 PolarHBondContact O-N 3.24Å; W17-S19 VanDerWaalsContact C-N 3.34Å; S19-L21 PolarHBondContact O-N 2.94Å
20G55.1Low60.4Low68 Ų68107.4 Ų107.470%0.70158%0.582SS**THydrogen-bonded Turntrans64.112.6176.300000114.8L18 S22L18-G20 VanDerWaalsContact C-N 3.31Å; L18-G20 PolarHBondContact O-N 3.45Å; G20-S22 PolarHBondContact O-N 3.05Å
21L51.5Low61.9Low126 Ų126105.8 Ų105.866%0.6658%0.576SS**  trans-77.473167.7-88.4145.5000107.9S19 E23S19-L21 PolarHBondContact O-N 2.94Å; L21-E23 PolarHBondContact O-N 2.91Å
22S53.4Low63.2Low92 Ų92105.1 Ų105.164%0.64357%0.569SS**  trans-60.4116.4166.7-171.80000107.7G20G20-S22 PolarHBondContact O-N 3.05Å
23E55Low64.7Low142 Ų142101 Ų10166%0.66455%0.547SS*.  trans-56.8130.6177.3-69.3-16210900109L21 G25 A26L21-E23 PolarHBondContact O-N 2.91Å; E23-G25 PolarHBondContact O-N 2.87Å; E23-A26 PolarHBondContact O-N 3.21Å
24P58.2Low66.4Low102 Ų102104.1 Ų104.166%0.66255%0.554SS**THydrogen-bonded Turntrans-54-18.6-179.6-26.733.5000114.4R28P24-R28 WeakPolarHBondContact O-CD 3.49Å; P24-R28 WeakPolarHBondContact O-CG 3.18Å
25G59.2Low68.2Low43 Ų43100.6 Ų100.644%0.44355%0.546SS..THydrogen-bonded Turntrans-72.7-33175.100000114.3E23 A27 R28 Q29E23-G25 PolarHBondContact O-N 2.87Å; G25-A27 VanDerWaalsContact C-N 3.32Å; G25-A27 PolarHBondContact O-N 2.89Å; G25-R28 PolarHBondContact O-N 3.38Å; G25-Q29 PolarHBondContact O-N 2.66Å
26A62.1Low70Confident63 Ų6398.3 Ų98.352%0.52153%0.529SS..THydrogen-bonded Turntrans-65.4-34-173.300000112.9E23 P30E23-A26 PolarHBondContact O-N 3.21Å; A26-P30 WeakPolarHBondContact O-CD 3.41Å
27A67.5Low71.9Confident62 Ų6294.8 Ų94.851%0.51251%0.513SS..THydrogen-bonded Turntrans-81.9-17176.300000113.7G25G25-A27 VanDerWaalsContact C-N 3.32Å; G25-A27 PolarHBondContact O-N 2.89Å
28R72.1Confident73.9Confident169 Ų16987.3 Ų87.364%0.63849%0.49SS*.Hα-helixtrans-79.7-38.1178.5-71.4176.2179-165.6-1.9111.4P24 G25 R31 I32P24-R28 WeakPolarHBondContact O-CD 3.49Å; P24-R28 WeakPolarHBondContact O-CG 3.18Å; G25-R28 PolarHBondContact O-N 3.38Å; R28-R31 PolarHBondContact O-N 2.74Å; R28-I32 HydrophobicContact CB-CD1 4.46Å; R28-I32 WeakPolarHBondContact O-CG1 3.27Å; R28-I32 PolarHBondContact O-N 2.95Å; R28-I32 VanDerWaalsContact O-N 3.11Å
29Q75Confident75.7Confident64 Ų6483.9 Ų83.930%0.29947%0.47SS..Hα-helixtrans-53.8-51.8-177.6-160.863.426.700114.9G25 R31 I32 M33 E71G25-Q29 PolarHBondContact O-N 2.66Å; Q29-R31 VanDerWaalsContact C-N 3.29Å; Q29-R31 PolarHBondContact O-N 3.35Å; Q29-I32 PolarHBondContact O-N 2.75Å; Q29-M33 WeakPolarHBondContact O-CG 3.49Å; Q29-M33 PolarHBondContact O-N 3.23Å; Q29-M33 VanDerWaalsContact O-N 3.11Å; Q29-E71 VanDerWaalsContact CD-OE2 3.32Å; Q29-E71 PolarHBondContact NE2-OE2 2.81Å
30P79.8Confident77.6Confident63 Ų6380.5 Ų80.541%0.40945%0.446SS..Hα-helixtrans-62.2-37-17922.4-32.9000112.5A26 M33 E34A26-P30 WeakPolarHBondContact O-CD 3.41Å; P30-M33 PolarHBondContact O-N 3.06Å; P30-E34 WeakPolarHBondContact O-CG 3.37Å; P30-E34 PolarHBondContact O-N 3.29Å
31R87Confident79.6Confident172 Ų17278.4 Ų78.465%0.64942%0.417SS*.Hα-helixtrans-65.1-41.8177.8-64.4-175.1179.3-167-1.8112.2R28 Q29 M33 E34 E35R28-R31 PolarHBondContact O-N 2.74Å; Q29-R31 VanDerWaalsContact C-N 3.29Å; Q29-R31 PolarHBondContact O-N 3.35Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 3.03Å; R31-E34 PolarHBondContact O-N 2.75Å; R31-E35 WeakPolarHBondContact O-CG 3.27Å; R31-E35 PolarHBondContact O-N 2.99Å
32I88.7Confident81.8Confident59 Ų5976.6 Ų76.630%0.30341%0.408SS..Hα-helixtrans-63.1-40.6176.9-62.5165.6000110R28 Q29 E35 K36R28-I32 HydrophobicContact CB-CD1 4.46Å; R28-I32 WeakPolarHBondContact O-CG1 3.27Å; R28-I32 PolarHBondContact O-N 2.95Å; R28-I32 VanDerWaalsContact O-N 3.11Å; Q29-I32 PolarHBondContact O-N 2.75Å; I32-E35 PolarHBondContact O-N 2.83Å; I32-K36 HydrophobicContact CG2-CG 4.48Å; I32-K36 WeakPolarHBondContact O-CB 3.46Å; I32-K36 WeakPolarHBondContact O-CG 3.4Å; I32-K36 PolarHBondContact O-N 3.25Å
33M92.3Very high83.8Confident25 Ų2573.8 Ų73.812%0.12339%0.386CS..Hα-helixtrans-66.6-41178.3-62.6-51.989.800112Q29 P30 R31 K36 A37 V69 E71 Y77Q29-M33 WeakPolarHBondContact O-CG 3.49Å; Q29-M33 PolarHBondContact O-N 3.23Å; Q29-M33 VanDerWaalsContact O-N 3.11Å; P30-M33 PolarHBondContact O-N 3.06Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 3.03Å; M33-K36 PolarHBondContact O-N 3.11Å; M33-A37 WeakPolarHBondContact O-CB 3.15Å; M33-A37 PolarHBondContact O-N 3.24Å; M33-V69 HydrophobicContact SD-CG1 4.25Å; M33-E71 HydrophobicContact CE-CB 4.47Å; M33-E71 HydrophobicContact SD-CB 4.25Å; M33-Y77 HydrophobicContact CE-CD1 3.94Å; M33-Y77 HydrophobicContact CE-CE1 3.46Å; M33-Y77 VanDerWaalsContact CE-CE1 3.46Å; M33-Y77 HydrophobicContact SD-CD1 4.16Å; M33-Y77 HydrophobicContact SD-CE1 4.28Å
34E93.7Very high85.9Confident129 Ų12967 Ų6760%0.60335%0.354SS*.Hα-helixtrans-61.9-46.2175.2-74170.1-173.400111.6P30 R31 K36 A37 L38P30-E34 WeakPolarHBondContact O-CG 3.37Å; P30-E34 PolarHBondContact O-N 3.29Å; R31-E34 PolarHBondContact O-N 2.75Å; E34-K36 VanDerWaalsContact C-N 3.3Å; E34-K36 PolarHBondContact O-N 3.33Å; E34-A37 PolarHBondContact O-N 3.11Å; E34-L38 WeakPolarHBondContact O-CG 3.37Å; E34-L38 PolarHBondContact O-N 2.78Å
35E94.7Very high87.7Confident117 Ų11766 Ų6655%0.54734%0.337SS..Hα-helixtrans-58.7-41.8175.3-73.2171.2-174.300111.6R31 I32 L38 E39R31-E35 WeakPolarHBondContact O-CG 3.27Å; R31-E35 PolarHBondContact O-N 2.99Å; I32-E35 PolarHBondContact O-N 2.83Å; E35-L38 PolarHBondContact O-N 3.27Å; E35-E39 WeakPolarHBondContact O-CG 3.33Å; E35-E39 PolarHBondContact O-N 3.37Å
36K96Very high89.4Confident37 Ų3765.1 Ų65.116%0.16132%0.323CS..Hα-helixtrans-68.7-36.4176.8-68.3-75.1161.5-1400112.8I32 M33 E34 L38 E39 V40 V69 F110I32-K36 HydrophobicContact CG2-CG 4.48Å; I32-K36 WeakPolarHBondContact O-CB 3.46Å; I32-K36 WeakPolarHBondContact O-CG 3.4Å; I32-K36 PolarHBondContact O-N 3.25Å; M33-K36 PolarHBondContact O-N 3.11Å; E34-K36 VanDerWaalsContact C-N 3.3Å; E34-K36 PolarHBondContact O-N 3.33Å; K36-L38 VanDerWaalsContact C-N 3.34Å; K36-E39 IonicContact NZ-OE1 3.73Å; K36-E39 PolarHBondContact NZ-OE1 2.64Å; K36-E39 IonicContact NZ-OE2 3.75Å; K36-E39 PolarHBondContact NZ-OE2 2.92Å; K36-E39 PolarHBondContact O-N 3.03Å; K36-V40 VanDerWaalsContact O-CG2 3.3Å; K36-V40 WeakPolarHBondContact O-CG2 3.34Å; K36-V40 PolarHBondContact O-N 2.84Å; K36-V69 HydrophobicContact CB-CB 4.27Å; K36-V69 HydrophobicContact CB-CG1 3.91Å; K36-V69 HydrophobicContact CB-CG2 4.25Å; K36-F110 HydrophobicContact CD-CD1 3.67Å; K36-F110 HydrophobicContact CD-CE1 3.42Å; K36-F110 VanDerWaalsContact CD-CE1 3.42Å; K36-F110 HydrophobicContact CD-CG 4.31Å; K36-F110 HydrophobicContact CD-CZ 3.88Å
37A97.3Very high91.1Very high15 Ų1562.2 Ų62.212%0.12430%0.299CS..Hα-helixtrans-65-40.3174.900000111.3M33 E34 V40 Y41 V67 V69M33-A37 WeakPolarHBondContact O-CB 3.15Å; M33-A37 PolarHBondContact O-N 3.24Å; E34-A37 PolarHBondContact O-N 3.11Å; A37-V40 PolarHBondContact O-N 2.91Å; A37-Y41 WeakPolarHBondContact O-CB 3.45Å; A37-Y41 PolarHBondContact O-N 2.67Å; A37-V67 HydrophobicContact CB-CG1 4.11Å; A37-V69 HydrophobicContact CB-CG2 4.01Å
38L96.8Very high92.4Very high71 Ų7165.4 Ų65.437%0.37230%0.298SS..Hα-helixtrans-61.8-45.6172.7-72171.1000112.1E34 E35 K36 V40 Y41 D42 E64E34-L38 WeakPolarHBondContact O-CG 3.37Å; E34-L38 PolarHBondContact O-N 2.78Å; E35-L38 PolarHBondContact O-N 3.27Å; K36-L38 VanDerWaalsContact C-N 3.34Å; L38-V40 VanDerWaalsContact C-N 3.3Å; L38-V40 PolarHBondContact O-N 2.81Å; L38-Y41 PolarHBondContact O-N 3.03Å; L38-D42 PolarHBondContact O-N 3.48Å; L38-E64 VanDerWaalsContact CD2-CD 3.47Å; L38-E64 HydrophobicContact CD2-CG 3.88Å; L38-E64 VanDerWaalsContact CD2-OE1 3.24Å; L38-E64 WeakPolarHBondContact CD2-OE1 3.39Å
39E96.4Very high93.3Very high71 Ų7157.7 Ų57.733%0.33227%0.269SS..Hα-helixtrans-57-43.2174.7-74.9175.8-154.300111.9E35 K36 L43 F110E35-E39 WeakPolarHBondContact O-CG 3.33Å; E35-E39 PolarHBondContact O-N 3.37Å; K36-E39 IonicContact NZ-OE1 3.73Å; K36-E39 PolarHBondContact NZ-OE1 2.64Å; K36-E39 IonicContact NZ-OE2 3.75Å; K36-E39 PolarHBondContact NZ-OE2 2.92Å; K36-E39 PolarHBondContact O-N 3.03Å; E39-L43 WeakPolarHBondContact O-CG 3.37Å; E39-L43 PolarHBondContact O-N 3.06Å; E39-F110 WeakPolarHBondContact OE2-CE1 3.29Å
40V97.9Very high94.1Very high0 Ų056.3 Ų56.30%027%0.266CS..Hα-helixtrans-64.9-45.3176.5169.60000110.7K36 A37 L38 L43 I44 V67 V69 V79 I81 L104 L108 F110K36-V40 VanDerWaalsContact O-CG2 3.3Å; K36-V40 WeakPolarHBondContact O-CG2 3.34Å; K36-V40 PolarHBondContact O-N 2.84Å; A37-V40 PolarHBondContact O-N 2.91Å; L38-V40 VanDerWaalsContact C-N 3.3Å; L38-V40 PolarHBondContact O-N 2.81Å; V40-L43 PolarHBondContact O-N 3.35Å; V40-I44 PolarHBondContact O-N 2.87Å; V40-V67 HydrophobicContact CB-CG1 3.77Å; V40-V67 HydrophobicContact CG1-CG1 3.48Å; V40-V67 VanDerWaalsContact CG1-CG1 3.48Å; V40-V67 HydrophobicContact CG1-CG2 4.25Å; V40-V69 HydrophobicContact CG2-CG2 4.3Å; V40-V79 HydrophobicContact CB-CG1 4.47Å; V40-V79 HydrophobicContact CG1-CG1 3.77Å; V40-V79 HydrophobicContact CG2-CG1 3.88Å; V40-V79 HydrophobicContact CG2-CG2 4.09Å; V40-I81 HydrophobicContact CG1-CD1 3.94Å; V40-I81 HydrophobicContact CG1-CG1 4.44Å; V40-L104 HydrophobicContact CG1-CD1 4.28Å; V40-L104 HydrophobicContact CG1-CD2 3.95Å; V40-L108 HydrophobicContact CB-CD2 4.49Å; V40-L108 HydrophobicContact CG2-CD1 4.24Å; V40-L108 HydrophobicContact CG2-CD2 3.65Å; V40-F110 HydrophobicContact CG2-CZ 4.1Å
41Y98Very high94.5Very high24 Ų2459.4 Ų59.49%0.09428%0.275CS..Hα-helixtrans-60.1-46.1179.9178.8-111.9000111.9A37 L38 L43 I44 R45 E57 E64A37-Y41 WeakPolarHBondContact O-CB 3.45Å; A37-Y41 PolarHBondContact O-N 2.67Å; L38-Y41 PolarHBondContact O-N 3.03Å; Y41-L43 PolarHBondContact O-N 2.96Å; Y41-I44 HydrophobicContact CD2-CG1 4.45Å; Y41-I44 WeakPolarHBondContact O-CG1 3.49Å; Y41-I44 PolarHBondContact O-N 3.38Å; Y41-I44 VanDerWaalsContact O-N 3.09Å; Y41-R45 HydrophobicContact CD2-CB 4.45Å; Y41-R45 HydrophobicContact CE1-CB 4.22Å; Y41-R45 HydrophobicContact CE2-CB 4.01Å; Y41-R45 WeakPolarHBondContact O-CB 3.12Å; Y41-R45 WeakPolarHBondContact O-CG 3.46Å; Y41-R45 PolarHBondContact O-N 3.32Å; Y41-E57 VanDerWaalsContact OH-CD 3.28Å; Y41-E57 WeakPolarHBondContact OH-CG 3.45Å; Y41-E57 PolarHBondContact OH-OE1 3.36Å; Y41-E64 HydrophobicContact CD1-CB 4.17Å; Y41-E64 HydrophobicContact CD1-CG 4.35Å; Y41-E64 HydrophobicContact CD2-CB 4.37Å; Y41-E64 HydrophobicContact CE1-CB 4.22Å; Y41-E64 HydrophobicContact CE2-CB 4.43Å; Y41-E64 HydrophobicContact CG-CB 4.23Å; Y41-E64 HydrophobicContact CG-CG 4.45Å
42D96.5Very high94.6Very high88 Ų8855 Ų5547%0.47126%0.26SS..Hα-helixtrans-58.8-31.3179.1-91.2-33000113.2L38 R45L38-D42 PolarHBondContact O-N 3.48Å; D42-R45 IonicContact OD1-CZ 2.69Å; D42-R45 IonicContact OD1-NE 3.47Å; D42-R45 PolarHBondContact OD1-NE 3.28Å; D42-R45 IonicContact OD1-NH2 2.61Å
43L96.6Very high94.7Very high34 Ų3457.9 Ų57.918%0.17828%0.283CS..Hα-helixtrans-76.6-34.8176.7-68.6175.8000113.3E39 V40 Y41 K103 L104 C107 L108E39-L43 WeakPolarHBondContact O-CG 3.37Å; E39-L43 PolarHBondContact O-N 3.06Å; V40-L43 PolarHBondContact O-N 3.35Å; Y41-L43 PolarHBondContact O-N 2.96Å; L43-K103 WeakPolarHBondContact O-CE 3.4Å; L43-K103 WeakPolarHBondContact O-CG 3.41Å; L43-L104 HydrophobicContact CB-CD2 4.16Å; L43-L104 HydrophobicContact CD1-CD2 4.15Å; L43-C107 HydrophobicContact CD1-CB 3.81Å; L43-C107 HydrophobicContact CD2-CB 3.66Å; L43-C107 HydrophobicContact CG-CB 4.31Å; L43-L108 HydrophobicContact CD1-CD2 3.55Å; L43-L108 HydrophobicContact CD1-CG 3.95Å
44I97.2Very high94.8Very high0 Ų059.5 Ų59.50%029%0.292CS..Hα-helixtrans-92.4-26.1-173.563.9178.9000113.3V40 Y41 T46 I47 V62 V67 I81 L100 L104V40-I44 PolarHBondContact O-N 2.87Å; Y41-I44 HydrophobicContact CD2-CG1 4.45Å; Y41-I44 WeakPolarHBondContact O-CG1 3.49Å; Y41-I44 PolarHBondContact O-N 3.38Å; Y41-I44 VanDerWaalsContact O-N 3.09Å; I44-T46 PolarHBondContact O-N 2.96Å; I44-I47 HydrophobicContact CB-CD1 4.1Å; I44-I47 HydrophobicContact CG2-CD1 4.22Å; I44-I47 WeakPolarHBondContact O-CB 3.34Å; I44-I47 WeakPolarHBondContact O-CG1 3.28Å; I44-I47 PolarHBondContact O-N 3.46Å; I44-V62 HydrophobicContact CD1-CB 4.28Å; I44-V62 HydrophobicContact CD1-CG1 4.26Å; I44-V62 HydrophobicContact CG1-CG2 4.38Å; I44-V67 HydrophobicContact CD1-CG2 3.72Å; I44-I81 HydrophobicContact CD1-CD1 4.05Å; I44-I81 HydrophobicContact CD1-CG2 4.33Å; I44-I81 HydrophobicContact CG2-CD1 4.45Å; I44-L100 HydrophobicContact CB-CD2 3.62Å; I44-L100 HydrophobicContact CD1-CD2 4.24Å; I44-L100 HydrophobicContact CG1-CD2 4.46Å; I44-L100 HydrophobicContact CG2-CD2 3.66Å; I44-L104 HydrophobicContact CG2-CD1 3.93Å; I44-L104 HydrophobicContact CG2-CD2 3.73Å; I44-L104 HydrophobicContact CG2-CG 3.83Å
45R96.7Very high94.9Very high80 Ų8054.7 Ų54.730%0.30227%0.272SS..THydrogen-bonded Turntrans-62.6-28.1-175.569.9179.9-175.771.79.8113.4Y41 D42 T55 E57Y41-R45 HydrophobicContact CD2-CB 4.45Å; Y41-R45 HydrophobicContact CE1-CB 4.22Å; Y41-R45 HydrophobicContact CE2-CB 4.01Å; Y41-R45 WeakPolarHBondContact O-CB 3.12Å; Y41-R45 WeakPolarHBondContact O-CG 3.46Å; Y41-R45 PolarHBondContact O-N 3.32Å; D42-R45 IonicContact OD1-CZ 2.69Å; D42-R45 IonicContact OD1-NE 3.47Å; D42-R45 PolarHBondContact OD1-NE 3.28Å; D42-R45 IonicContact OD1-NH2 2.61Å; R45-T55 VanDerWaalsContact O-CB 3.23Å; R45-T55 WeakPolarHBondContact O-CB 3.19Å; R45-T55 PolarHBondContact O-OG1 3.2Å; R45-E57 HydrophobicContact CB-CB 3.87Å; R45-E57 HydrophobicContact CB-CG 4.45Å; R45-E57 IonicContact NH1-OE2 2.88Å; R45-E57 PolarHBondContact NH1-OE2 2.92Å; R45-E57 WeakPolarHBondContact O-CB 3.45Å; R45-E57 PolarHBondContact O-N 3.03Å
46T96.1Very high94.9Very high25 Ų2549.2 Ų49.215%0.15325%0.246CC..THydrogen-bonded Turntrans-89.8-6.8-178.860.80000114.3I44 R48I44-T46 PolarHBondContact O-N 2.96Å; T46-R48 PolarHBondContact O-N 3.33Å
47I96.4Very high95Very high2 Ų250.8 Ų50.81%0.0125%0.254CS..PPolyproline II helixtrans-58.1135.5176-64.9172.2000108.7I44 T55 L56 C99 L100 K103 C155I44-I47 HydrophobicContact CB-CD1 4.1Å; I44-I47 HydrophobicContact CG2-CD1 4.22Å; I44-I47 WeakPolarHBondContact O-CB 3.34Å; I44-I47 WeakPolarHBondContact O-CG1 3.28Å; I44-I47 PolarHBondContact O-N 3.46Å; I47-T55 CarbonylContact O-C 3.56Å; I47-T55 VanDerWaalsContact O-CA 3.23Å; I47-T55 WeakPolarHBondContact O-CA 3.33Å; I47-L56 HydrophobicContact CB-CD1 3.84Å; I47-L56 HydrophobicContact CB-CG 3.98Å; I47-L56 HydrophobicContact CD1-CD1 4.39Å; I47-L56 HydrophobicContact CG2-CD1 3.78Å; I47-L56 HydrophobicContact CG2-CG 3.99Å; I47-L56 WeakPolarHBondContact O-CG 3.25Å; I47-L56 PolarHBondContact O-N 3.01Å; I47-C99 HydrophobicContact CG2-CB 3.9Å; I47-L100 HydrophobicContact CD1-CD2 3.89Å; I47-K103 HydrophobicContact CD1-CB 3.72Å; I47-K103 HydrophobicContact CD1-CG 3.91Å; I47-K103 HydrophobicContact CG1-CB 4.3Å; I47-K103 HydrophobicContact CG1-CD 4.38Å; I47-K103 HydrophobicContact CG1-CG 4.1Å; I47-C155 HydrophobicContact CG2-CB 4.34Å
48R94.5Very high94.9Very high128 Ų12855.8 Ų55.848%0.48328%0.275SS..BIsolated β-bridgetrans-82.8142.2177-66.6-177.8171.5-172.5-0.7111.5T46 C155T46-R48 PolarHBondContact O-N 3.33Å; R48-C155 PolarHBondContact N-O 3.21Å; R48-C155 WeakPolarHBondContact O-CB 3.3Å; R48-C155 PolarHBondContact O-SG 3.48Å; R48-C155 VanDerWaalsContact O-SG 3.36Å
49D92.5Very high94.8Very high7 Ų754.3 Ų54.34%0.03727%0.267CS..PPolyproline II helixtrans-64.3137.7170-176-85.3000110.5E51 K52 N54 L56 L59D49-E51 PolarHBondContact O-N 2.96Å; D49-E51 WeakPolarHBondContact OD1-CA 3.37Å; D49-E51 WeakPolarHBondContact OD1-CB 3.34Å; D49-E51 PolarHBondContact OD1-N 2.99Å; D49-K52 HydrophobicContact CB-CB 4.11Å; D49-K52 VanDerWaalsContact O-O 3.09Å; D49-K52 PolarHBondContact OD1-N 3.35Å; D49-N54 PolarHBondContact N-O 3.02Å; D49-L56 HydrophobicContact CB-CD2 4.43Å; D49-L59 HydrophobicContact CB-CD1 3.41Å; D49-L59 VanDerWaalsContact CB-CD1 3.41Å
50P91.2Very high94.8Very high36 Ų3659 Ų5923%0.23429%0.289CS..SBendtrans-64.5-18.6-179-22.632.9000114.8L92 L95 I96 I151P50-L92 HydrophobicContact CB-CD2 4.32Å; P50-L95 HydrophobicContact CG-CB 4.14Å; P50-I96 HydrophobicContact CG-CG1 4.33Å; P50-I151 HydrophobicContact CB-CG2 4.31Å
51E88.3Confident94.7Very high128 Ų12859 Ų5960%0.59829%0.289SS*.SBendtrans-113.3-32.3-175.8-172.6-179.4178.100112.4D49 L92D49-E51 PolarHBondContact O-N 2.96Å; D49-E51 WeakPolarHBondContact OD1-CA 3.37Å; D49-E51 WeakPolarHBondContact OD1-CB 3.34Å; D49-E51 PolarHBondContact OD1-N 2.99Å; E51-L92 HydrophobicContact CB-CD1 3.72Å; E51-L92 HydrophobicContact CG-CD1 4.29Å; E51-L92 WeakPolarHBondContact OE2-CD1 3.31Å
52K88.5Confident94.7Very high79 Ų7958 Ų5834%0.34329%0.286SS..SBendtrans-109.8148.9-174.5-62.8179.1-175.5170.90112.1D49 N54 L59D49-K52 HydrophobicContact CB-CB 4.11Å; D49-K52 VanDerWaalsContact O-O 3.09Å; D49-K52 PolarHBondContact OD1-N 3.35Å; K52-N54 PolarHBondContact O-N 3Å; K52-L59 HydrophobicContact CB-CD1 4.12Å; K52-L59 HydrophobicContact CD-CD1 3.92Å; K52-L59 HydrophobicContact CD-CD2 3.73Å
53P91.1Very high94.7Very high120 Ų12056.1 Ų56.178%0.77928%0.279SS*.SBendtrans-75.922.7178.735.4-38.3000113.5
54N93.9Very high94.7Very high59 Ų5959.8 Ų59.832%0.31630%0.295SS..SBendtrans-114.2158.8-173.4-70.4103.8000110.8D49 K52 E58 L59D49-N54 PolarHBondContact N-O 3.02Å; K52-N54 PolarHBondContact O-N 3Å; N54-E58 WeakPolarHBondContact CA-OE2 3.3Å; N54-E58 HydrophobicContact CB-CB 4.13Å; N54-E58 VanDerWaalsContact CB-OE2 3.24Å; N54-E58 WeakPolarHBondContact CB-OE2 3.48Å; N54-E58 PolarHBondContact ND2-OE2 3.29Å; N54-L59 HydrophobicContact CB-CD1 3.95Å; N54-L59 HydrophobicContact CB-CD2 3.92Å; N54-L59 HydrophobicContact CB-CG 3.71Å
55T95.8Very high94.7Very high28 Ų2864.9 Ų64.917%0.17233%0.331CS..BIsolated β-bridgetrans-78163.2172.674.30000111.8R45 I47 E57 E58 L59R45-T55 VanDerWaalsContact O-CB 3.23Å; R45-T55 WeakPolarHBondContact O-CB 3.19Å; R45-T55 PolarHBondContact O-OG1 3.2Å; I47-T55 CarbonylContact O-C 3.56Å; I47-T55 VanDerWaalsContact O-CA 3.23Å; I47-T55 WeakPolarHBondContact O-CA 3.33Å; T55-E57 PolarHBondContact O-N 2.87Å; T55-E57 PolarHBondContact OG1-N 3.1Å; T55-E58 PolarHBondContact N-OE2 3.49Å; T55-E58 PolarHBondContact O-N 2.81Å; T55-E58 WeakPolarHBondContact OG1-CG 3.4Å; T55-E58 PolarHBondContact OG1-N 2.84Å; T55-E58 VanDerWaalsContact OG1-N 3.14Å; T55-L59 WeakPolarHBondContact O-CG 3.35Å; T55-L59 PolarHBondContact O-N 3.13Å
56L96.2Very high94.6Very high1 Ų161.7 Ų61.71%0.00532%0.321CS..THydrogen-bonded Turntrans-61.5-32.2174.4-62.9-170.8000112I47 D49 E60 V61 V62 I96 L100I47-L56 HydrophobicContact CB-CD1 3.84Å; I47-L56 HydrophobicContact CB-CG 3.98Å; I47-L56 HydrophobicContact CD1-CD1 4.39Å; I47-L56 HydrophobicContact CG2-CD1 3.78Å; I47-L56 HydrophobicContact CG2-CG 3.99Å; I47-L56 WeakPolarHBondContact O-CG 3.25Å; I47-L56 PolarHBondContact O-N 3.01Å; D49-L56 HydrophobicContact CB-CD2 4.43Å; L56-E60 PolarHBondContact O-N 3.03Å; L56-V61 HydrophobicContact CB-CB 4.08Å; L56-V61 HydrophobicContact CB-CG1 4.41Å; L56-V61 HydrophobicContact CD2-CB 4.14Å; L56-V61 HydrophobicContact CD2-CG1 4.01Å; L56-V61 HydrophobicContact CD2-CG2 4.37Å; L56-V61 WeakPolarHBondContact O-CB 3.2Å; L56-V61 PolarHBondContact O-N 2.83Å; L56-V62 HydrophobicContact CB-CG1 4.3Å; L56-V62 HydrophobicContact CB-CG2 3.68Å; L56-V62 HydrophobicContact CD1-CG1 4.22Å; L56-V62 PolarHBondContact O-N 3.26Å; L56-I96 HydrophobicContact CD1-CG2 4.03Å; L56-I96 HydrophobicContact CD2-CG2 4.2Å; L56-L100 HydrophobicContact CD1-CD2 4.01Å; L56-L100 HydrophobicContact CD1-CG 4.35Å
57E96.8Very high94.7Very high71 Ų7161.1 Ų61.133%0.33232%0.317SS..THydrogen-bonded Turntrans-68.1-46.7173.9171.9177.3-128.500111.7Y41 R45 T55 L59 E60Y41-E57 VanDerWaalsContact OH-CD 3.28Å; Y41-E57 WeakPolarHBondContact OH-CG 3.45Å; Y41-E57 PolarHBondContact OH-OE1 3.36Å; R45-E57 HydrophobicContact CB-CB 3.87Å; R45-E57 HydrophobicContact CB-CG 4.45Å; R45-E57 IonicContact NH1-OE2 2.88Å; R45-E57 PolarHBondContact NH1-OE2 2.92Å; R45-E57 WeakPolarHBondContact O-CB 3.45Å; R45-E57 PolarHBondContact O-N 3.03Å; T55-E57 PolarHBondContact O-N 2.87Å; T55-E57 PolarHBondContact OG1-N 3.1Å; E57-L59 PolarHBondContact O-N 3.44Å; E57-L59 VanDerWaalsContact O-N 3.17Å; E57-E60 PolarHBondContact O-N 3.35Å
58E96.1Very high94.8Very high119 Ų11964.1 Ų64.156%0.55633%0.331SS*.THydrogen-bonded Turntrans-61-26.6178.9-73.3174.8161.100113.1N54 T55N54-E58 WeakPolarHBondContact CA-OE2 3.3Å; N54-E58 HydrophobicContact CB-CB 4.13Å; N54-E58 VanDerWaalsContact CB-OE2 3.24Å; N54-E58 WeakPolarHBondContact CB-OE2 3.48Å; N54-E58 PolarHBondContact ND2-OE2 3.29Å; T55-E58 PolarHBondContact N-OE2 3.49Å; T55-E58 PolarHBondContact O-N 2.81Å; T55-E58 WeakPolarHBondContact OG1-CG 3.4Å; T55-E58 PolarHBondContact OG1-N 2.84Å; T55-E58 VanDerWaalsContact OG1-N 3.14Å
59L95.2Very high94.9Very high40 Ų4058.5 Ų58.521%0.20931%0.311CS..THydrogen-bonded Turntrans-96.45.8178.5-64.1172.2000113.5D49 K52 N54 T55 E57 V61 T86D49-L59 HydrophobicContact CB-CD1 3.41Å; D49-L59 VanDerWaalsContact CB-CD1 3.41Å; K52-L59 HydrophobicContact CB-CD1 4.12Å; K52-L59 HydrophobicContact CD-CD1 3.92Å; K52-L59 HydrophobicContact CD-CD2 3.73Å; N54-L59 HydrophobicContact CB-CD1 3.95Å; N54-L59 HydrophobicContact CB-CD2 3.92Å; N54-L59 HydrophobicContact CB-CG 3.71Å; T55-L59 WeakPolarHBondContact O-CG 3.35Å; T55-L59 PolarHBondContact O-N 3.13Å; E57-L59 PolarHBondContact O-N 3.44Å; E57-L59 VanDerWaalsContact O-N 3.17Å; L59-V61 HydrophobicContact CB-CG2 3.82Å; L59-V61 PolarHBondContact O-N 3Å; L59-V61 VanDerWaalsContact O-N 3.11Å; L59-T86 HydrophobicContact CB-CG2 4.13Å; L59-T86 HydrophobicContact CD1-CG2 4.11Å
60E95.6Very high95Very high169 Ų16962 Ų6279%0.7933%0.327SS*.THydrogen-bonded Turntrans55.325.5-176.1-55.9-179.3173.700113.2L56 E57L56-E60 PolarHBondContact O-N 3.03Å; E57-E60 PolarHBondContact O-N 3.35Å
61V95.9Very high95.2Very high2 Ų264.2 Ų64.21%0.01234%0.335CS..SBendtrans-73.2-35.3175.7175.20000110.2L56 L59 F83 T84 T86 I96L56-V61 HydrophobicContact CB-CB 4.08Å; L56-V61 HydrophobicContact CB-CG1 4.41Å; L56-V61 HydrophobicContact CD2-CB 4.14Å; L56-V61 HydrophobicContact CD2-CG1 4.01Å; L56-V61 HydrophobicContact CD2-CG2 4.37Å; L56-V61 WeakPolarHBondContact O-CB 3.2Å; L56-V61 PolarHBondContact O-N 2.83Å; L59-V61 HydrophobicContact CB-CG2 3.82Å; L59-V61 PolarHBondContact O-N 3Å; L59-V61 VanDerWaalsContact O-N 3.11Å; V61-F83 HydrophobicContact CG1-CB 4.27Å; V61-F83 HydrophobicContact CG1-CD2 4.01Å; V61-F83 CarbonylContact O-C 3.45Å; V61-F83 VanDerWaalsContact O-CA 3.3Å; V61-F83 WeakPolarHBondContact O-CA 3.5Å; V61-F83 WeakPolarHBondContact O-CB 3.3Å; V61-T84 WeakPolarHBondContact CA-O 3.5Å; V61-T84 WeakPolarHBondContact CG1-O 3.43Å; V61-T84 WeakPolarHBondContact CG2-O 3.32Å; V61-T84 PolarHBondContact O-N 2.88Å; V61-T86 HydrophobicContact CG2-CG2 3.6Å; V61-I96 HydrophobicContact CG1-CD1 4.39Å; V61-I96 HydrophobicContact CG1-CG2 3.9Å
62V97.4Very high95.5Very high3 Ų361.4 Ų61.42%0.01832%0.323CS..SBendtrans-128.7150.2172.8-60.20000110.2I44 L56 F83 L100I44-V62 HydrophobicContact CD1-CB 4.28Å; I44-V62 HydrophobicContact CD1-CG1 4.26Å; I44-V62 HydrophobicContact CG1-CG2 4.38Å; L56-V62 HydrophobicContact CB-CG1 4.3Å; L56-V62 HydrophobicContact CB-CG2 3.68Å; L56-V62 HydrophobicContact CD1-CG1 4.22Å; L56-V62 PolarHBondContact O-N 3.26Å; V62-F83 HydrophobicContact CG1-CB 4.17Å; V62-L100 HydrophobicContact CG1-CD2 4.17Å
63S97.1Very high95.7Very high47 Ų4761 Ų6133%0.32933%0.325SS..  trans-143.1162.7174.7650000109.8S65 C66S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 PolarHBondContact OG-OG 3.38Å; S63-C66 PolarHBondContact N-SG 3.09Å; S63-C66 VanDerWaalsContact N-SG 3.37Å; S63-C66 VanDerWaalsContact O-CB 3.31Å; S63-C66 WeakPolarHBondContact O-CB 3.42Å; S63-C66 PolarHBondContact O-N 2.85Å; S63-C66 PolarHBondContact O-SG 3.38Å
64E96.9Very high95.5Very high111 Ų11163.6 Ų63.652%0.51933%0.326SS..G310 helixtrans-56.4-40.4179.3-170.3-175.114600111.9L38 Y41 C66 V67L38-E64 VanDerWaalsContact CD2-CD 3.47Å; L38-E64 HydrophobicContact CD2-CG 3.88Å; L38-E64 VanDerWaalsContact CD2-OE1 3.24Å; L38-E64 WeakPolarHBondContact CD2-OE1 3.39Å; Y41-E64 HydrophobicContact CD1-CB 4.17Å; Y41-E64 HydrophobicContact CD1-CG 4.35Å; Y41-E64 HydrophobicContact CD2-CB 4.37Å; Y41-E64 HydrophobicContact CE1-CB 4.22Å; Y41-E64 HydrophobicContact CE2-CB 4.43Å; Y41-E64 HydrophobicContact CG-CB 4.23Å; Y41-E64 HydrophobicContact CG-CG 4.45Å; E64-C66 PolarHBondContact O-N 3.26Å; E64-V67 PolarHBondContact O-N 3.29Å
65S96.3Very high95.3Very high108 Ų10868.3 Ų68.376%0.75535%0.346SS*.G310 helixtrans-69.8-10.9178.157.90000114.8S63 V67S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 PolarHBondContact OG-OG 3.38Å; S65-V67 VanDerWaalsContact C-N 3.29Å
66C96Very high95.3Very high13 Ų1368 Ų689%0.08834%0.343CS..G310 helixtrans-86-6.8-179.296.90000112.5S63 E64 I81 R82S63-C66 PolarHBondContact N-SG 3.09Å; S63-C66 VanDerWaalsContact N-SG 3.37Å; S63-C66 VanDerWaalsContact O-CB 3.31Å; S63-C66 WeakPolarHBondContact O-CB 3.42Å; S63-C66 PolarHBondContact O-N 2.85Å; S63-C66 PolarHBondContact O-SG 3.38Å; E64-C66 PolarHBondContact O-N 3.26Å; C66-I81 WeakPolarHBondContact O-CA 3.23Å; C66-R82 WeakPolarHBondContact CB-O 3.07Å; C66-R82 PolarHBondContact O-N 3.04Å; C66-R82 PolarHBondContact SG-O 3.37Å
67V98.1Very high95.3Very high12 Ų1269.4 Ų69.47%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-105.8129.6-179.1-177.40000110.1A37 V40 I44 E64 S65 V69 I81A37-V67 HydrophobicContact CB-CG1 4.11Å; V40-V67 HydrophobicContact CB-CG1 3.77Å; V40-V67 HydrophobicContact CG1-CG1 3.48Å; V40-V67 VanDerWaalsContact CG1-CG1 3.48Å; V40-V67 HydrophobicContact CG1-CG2 4.25Å; I44-V67 HydrophobicContact CD1-CG2 3.72Å; E64-V67 PolarHBondContact O-N 3.29Å; S65-V67 VanDerWaalsContact C-N 3.29Å; V67-V69 HydrophobicContact CG1-CG2 4.42Å; V67-I81 HydrophobicContact CG2-CG1 4.46Å
68E97.2Very high95.3Very high65 Ų6567.1 Ų67.130%0.30434%0.338SS..EExtended strand (participates in β ladder)trans-129.9133.2176.3179.3-176.6169.300109.1Q70 I80 R82E68-Q70 HydrophobicContact CG-CG 4.47Å; E68-Q70 PolarHBondContact OE1-NE2 2.74Å; E68-I80 HydrophobicContact CB-CB 4.23Å; E68-I80 PolarHBondContact N-O 3.35Å; E68-I80 PolarHBondContact O-N 3.32Å; E68-R82 IonicContact OE2-CZ 3.79Å; E68-R82 IonicContact OE2-NH1 3.57Å; E68-R82 IonicContact OE2-NH2 3.06Å; E68-R82 PolarHBondContact OE2-NH2 3.4Å
69V97.3Very high95.4Very high11 Ų1161.4 Ų61.47%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-123131178.2-176.30000109.5M33 K36 A37 V40 V67 Y77 L78 V79M33-V69 HydrophobicContact SD-CG1 4.25Å; K36-V69 HydrophobicContact CB-CB 4.27Å; K36-V69 HydrophobicContact CB-CG1 3.91Å; K36-V69 HydrophobicContact CB-CG2 4.25Å; A37-V69 HydrophobicContact CB-CG2 4.01Å; V40-V69 HydrophobicContact CG2-CG2 4.3Å; V67-V69 HydrophobicContact CG1-CG2 4.42Å; V69-Y77 HydrophobicContact CG1-CD1 4.05Å; V69-Y77 HydrophobicContact CG1-CG 4.32Å; V69-L78 WeakPolarHBondContact CA-O 3.32Å; V69-V79 HydrophobicContact CG2-CG2 4.35Å
70Q95.5Very high95.6Very high81 Ų8160.2 Ų60.238%0.37931%0.305SS..EExtended strand (participates in β ladder)trans-125.4146.4177.9-56.2177.36.900109.8E68 Y77 L78E68-Q70 HydrophobicContact CG-CG 4.47Å; E68-Q70 PolarHBondContact OE1-NE2 2.74Å; Q70-Y77 CarbonylContact O-C 3.46Å; Q70-Y77 VanDerWaalsContact O-CA 3.27Å; Q70-Y77 WeakPolarHBondContact O-CA 3.42Å; Q70-L78 HydrophobicContact CB-CB 4.35Å; Q70-L78 PolarHBondContact N-O 2.92Å; Q70-L78 PolarHBondContact O-N 3.08Å
71E95.2Very high95.7Very high82 Ų8252.1 Ų52.138%0.38327%0.268SS..EExtended strand (participates in β ladder)trans-83.9130.1172.1-171.9177.5-154.200110.3Q29 M33 N73 Y77Q29-E71 VanDerWaalsContact CD-OE2 3.32Å; Q29-E71 PolarHBondContact NE2-OE2 2.81Å; M33-E71 HydrophobicContact CE-CB 4.47Å; M33-E71 HydrophobicContact SD-CB 4.25Å; E71-N73 WeakPolarHBondContact CG-O 3.36Å; E71-Y77 HydrophobicContact CB-CD1 4.43Å; E71-Y77 HydrophobicContact CB-CE1 4.47Å; E71-Y77 HydrophobicContact CG-CE1 4.47Å
72I94.6Very high95.8Very high69 Ų6957.1 Ų57.135%0.35429%0.286SS..EExtended strand (participates in β ladder)trans-93.4-47.7175.4-54.8-179.9000110.2E76 L78 K113I72-E76 HydrophobicContact CB-CG 4.49Å; I72-E76 WeakPolarHBondContact CB-O 3.38Å; I72-E76 HydrophobicContact CD1-CG 4.31Å; I72-E76 PolarHBondContact N-O 2.89Å; I72-L78 HydrophobicContact CD1-CB 3.89Å; I72-L78 HydrophobicContact CG1-CB 3.88Å; I72-K113 HydrophobicContact CD1-CB 4.18Å; I72-K113 HydrophobicContact CD1-CD 3.6Å; I72-K113 HydrophobicContact CD1-CG 3.86Å
73N90.9Very high95.7Very high71 Ų7157 Ų5738%0.3829%0.285SS..EExtended strand (participates in β ladder)trans-155.9176.7175.259.868.4000108.7E71 E75 E76E71-N73 WeakPolarHBondContact CG-O 3.36Å; N73-E75 PolarHBondContact O-N 2.98Å; N73-E76 PolarHBondContact N-O 2.8Å; N73-E76 PolarHBondContact ND2-OE2 2.84Å; N73-E76 PolarHBondContact O-N 2.83Å; N73-E76 WeakPolarHBondContact OD1-CB 3.48Å
74E88.3Confident95.6Very high173 Ų17357.2 Ų57.281%0.80829%0.285SS*.THydrogen-bonded Turntrans-49.8114.8178.8-64.2179.9-17900111E76E74-E76 VanDerWaalsContact C-N 3.3Å; E74-E76 PolarHBondContact O-N 3.44Å
75E88.7Confident95.3Very high158 Ų15852.5 Ų52.574%0.73826%0.264SS*.THydrogen-bonded Turntrans68.510.4-179.7-49.7-176.5161.900116.7N73N73-E75 PolarHBondContact O-N 2.98Å
76E95.5Very high94.8Very high23 Ų2349.2 Ų49.211%0.10724%0.239CC..EExtended strand (participates in β ladder)trans-118.4124.3172.9-169.7175.4171.800112.1I72 N73 E74 K111 K113I72-E76 HydrophobicContact CB-CG 4.49Å; I72-E76 WeakPolarHBondContact CB-O 3.38Å; I72-E76 HydrophobicContact CD1-CG 4.31Å; I72-E76 PolarHBondContact N-O 2.89Å; N73-E76 PolarHBondContact N-O 2.8Å; N73-E76 PolarHBondContact ND2-OE2 2.84Å; N73-E76 PolarHBondContact O-N 2.83Å; N73-E76 WeakPolarHBondContact OD1-CB 3.48Å; E74-E76 VanDerWaalsContact C-N 3.3Å; E74-E76 PolarHBondContact O-N 3.44Å; E76-K111 WeakPolarHBondContact CA-O 3.42Å; E76-K111 HydrophobicContact CB-CD 4.13Å; E76-K111 HydrophobicContact CG-CD 4.01Å; E76-K111 HydrophobicContact CG-CG 4.12Å; E76-K111 WeakPolarHBondContact OE2-CE 3.2Å; E76-K111 IonicContact OE2-NZ 2.74Å; E76-K111 PolarHBondContact OE2-NZ 3.45Å; E76-K113 VanDerWaalsContact OE1-CE 3.27Å; E76-K113 WeakPolarHBondContact OE1-CE 3.43Å
77Y97.1Very high94.1Very high29 Ų2951.4 Ų51.411%0.11425%0.252CS..EExtended strand (participates in β ladder)trans-115149.9-173.9-56.7-87.5000112.7M33 V69 Q70 E71 F110 K111 H112 K113M33-Y77 HydrophobicContact CE-CD1 3.94Å; M33-Y77 HydrophobicContact CE-CE1 3.46Å; M33-Y77 VanDerWaalsContact CE-CE1 3.46Å; M33-Y77 HydrophobicContact SD-CD1 4.16Å; M33-Y77 HydrophobicContact SD-CE1 4.28Å; V69-Y77 HydrophobicContact CG1-CD1 4.05Å; V69-Y77 HydrophobicContact CG1-CG 4.32Å; Q70-Y77 CarbonylContact O-C 3.46Å; Q70-Y77 VanDerWaalsContact O-CA 3.27Å; Q70-Y77 WeakPolarHBondContact O-CA 3.42Å; E71-Y77 HydrophobicContact CB-CD1 4.43Å; E71-Y77 HydrophobicContact CB-CE1 4.47Å; E71-Y77 HydrophobicContact CG-CE1 4.47Å; Y77-F110 HydrophobicContact CD2-CB 4.37Å; Y77-F110 AromaticContact CD2-CD2 3.57Å; Y77-F110 HydrophobicContact CD2-CD2 3.57Å; Y77-F110 HydrophobicContact CD2-CE2 4.13Å; Y77-F110 HydrophobicContact CD2-CG 4.17Å; Y77-F110 HydrophobicContact CE2-CB 4.42Å; Y77-F110 HydrophobicContact CE2-CD2 4.34Å; Y77-F110 HydrophobicContact CG-CD2 4.2Å; Y77-F110 HydrophobicContact CG-CE2 4.31Å; Y77-K111 PolarHBondContact N-O 3.26Å; Y77-H112 CarbonylContact O-C 3.53Å; Y77-H112 WeakPolarHBondContact O-CA 3.3Å; Y77-K113 PolarHBondContact O-N 3.09Å
78L97.5Very high93Very high23 Ų2354 Ų5412%0.1227%0.269CS..EExtended strand (participates in β ladder)trans-100117.6164.9177.560.9000107.9V69 Q70 I72 I80 K113 E115V69-L78 WeakPolarHBondContact CA-O 3.32Å; Q70-L78 HydrophobicContact CB-CB 4.35Å; Q70-L78 PolarHBondContact N-O 2.92Å; Q70-L78 PolarHBondContact O-N 3.08Å; I72-L78 HydrophobicContact CD1-CB 3.89Å; I72-L78 HydrophobicContact CG1-CB 3.88Å; L78-I80 HydrophobicContact CD2-CD1 3.99Å; L78-I80 HydrophobicContact CD2-CG1 4.14Å; L78-I80 HydrophobicContact CG-CD1 4.28Å; L78-I80 HydrophobicContact CG-CG1 3.9Å; L78-K113 HydrophobicContact CD1-CB 3.85Å; L78-E115 HydrophobicContact CD1-CG 3.98Å
79V98.1Very high91.8Very high0 Ų058 Ų580%029%0.287CS..EExtended strand (participates in β ladder)trans-99.1122.4173.4-179.40000107.9V40 V69 I81 L108 F110 H112 K113 L114 E115V40-V79 HydrophobicContact CB-CG1 4.47Å; V40-V79 HydrophobicContact CG1-CG1 3.77Å; V40-V79 HydrophobicContact CG2-CG1 3.88Å; V40-V79 HydrophobicContact CG2-CG2 4.09Å; V69-V79 HydrophobicContact CG2-CG2 4.35Å; V79-I81 HydrophobicContact CG1-CD1 4.22Å; V79-I81 HydrophobicContact CG1-CG1 4.11Å; V79-L108 HydrophobicContact CG2-CD1 4.3Å; V79-F110 HydrophobicContact CG2-CE2 4.05Å; V79-F110 HydrophobicContact CG2-CZ 4.38Å; V79-H112 HydrophobicContact CG2-CB 4.12Å; V79-K113 PolarHBondContact N-O 3.18Å; V79-L114 HydrophobicContact CB-CD1 3.93Å; V79-L114 HydrophobicContact CG1-CD1 3.79Å; V79-L114 WeakPolarHBondContact O-CA 3.23Å; V79-E115 PolarHBondContact O-N 3.37Å
80I98.2Very high90.6Very high14 Ų1458.8 Ų58.87%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-115.6126.4178.1-55.3173.7000107.7E68 L78 E115 Y117E68-I80 HydrophobicContact CB-CB 4.23Å; E68-I80 PolarHBondContact N-O 3.35Å; E68-I80 PolarHBondContact O-N 3.32Å; L78-I80 HydrophobicContact CD2-CD1 3.99Å; L78-I80 HydrophobicContact CD2-CG1 4.14Å; L78-I80 HydrophobicContact CG-CD1 4.28Å; L78-I80 HydrophobicContact CG-CG1 3.9Å; I80-E115 WeakPolarHBondContact CA-O 3.38Å; I80-Y117 HydrophobicContact CG2-CD2 4.01Å; I80-Y117 HydrophobicContact CG2-CE2 4.07Å
81I98.2Very high89.7Confident0 Ų059.7 Ų59.70%031%0.308CS..EExtended strand (participates in β ladder)trans-124.5128.8178.5-61.7175.9000109.1V40 I44 C66 V67 V79 L100 L104 L114 E115 I116 Y117V40-I81 HydrophobicContact CG1-CD1 3.94Å; V40-I81 HydrophobicContact CG1-CG1 4.44Å; I44-I81 HydrophobicContact CD1-CD1 4.05Å; I44-I81 HydrophobicContact CD1-CG2 4.33Å; I44-I81 HydrophobicContact CG2-CD1 4.45Å; C66-I81 WeakPolarHBondContact O-CA 3.23Å; V67-I81 HydrophobicContact CG2-CG1 4.46Å; V79-I81 HydrophobicContact CG1-CD1 4.22Å; V79-I81 HydrophobicContact CG1-CG1 4.11Å; I81-L100 HydrophobicContact CG2-CD1 4.3Å; I81-L104 HydrophobicContact CD1-CD1 3.19Å; I81-L114 HydrophobicContact CD1-CD1 4.12Å; I81-E115 PolarHBondContact N-O 3.01Å; I81-I116 CarbonylContact O-C 3.5Å; I81-I116 WeakPolarHBondContact O-CA 3.44Å; I81-Y117 PolarHBondContact O-N 3.03Å
82R97.6Very high89.3Confident106 Ų10657.2 Ų57.240%0.430%0.298SS..EExtended strand (participates in β ladder)trans-106.8123.3169.5-58.8-178.1-167.894.36.9108.3C66 E68 Y117C66-R82 WeakPolarHBondContact CB-O 3.07Å; C66-R82 PolarHBondContact O-N 3.04Å; C66-R82 PolarHBondContact SG-O 3.37Å; E68-R82 IonicContact OE2-CZ 3.79Å; E68-R82 IonicContact OE2-NH1 3.57Å; E68-R82 IonicContact OE2-NH2 3.06Å; E68-R82 PolarHBondContact OE2-NH2 3.4Å; R82-Y117 CarbonylContact C-O 3.43Å; R82-Y117 VanDerWaalsContact CA-O 3.23Å; R82-Y117 WeakPolarHBondContact CA-O 3.48Å
83F96.7Very high89.2Confident0 Ų054 Ų540%028%0.281CS..EExtended strand (participates in β ladder)trans-123.5150.4179.477.2-82.1000111.1V61 V62 P85 A93 I96 L100 I116 Y117 I118 S119 I133V61-F83 HydrophobicContact CG1-CB 4.27Å; V61-F83 HydrophobicContact CG1-CD2 4.01Å; V61-F83 CarbonylContact O-C 3.45Å; V61-F83 VanDerWaalsContact O-CA 3.3Å; V61-F83 WeakPolarHBondContact O-CA 3.5Å; V61-F83 WeakPolarHBondContact O-CB 3.3Å; V62-F83 HydrophobicContact CG1-CB 4.17Å; F83-P85 HydrophobicContact CD2-CG 4.3Å; F83-P85 HydrophobicContact CE2-CG 3.85Å; F83-A93 WeakPolarHBondContact CZ-O 3.44Å; F83-I96 HydrophobicContact CD2-CB 4.35Å; F83-I96 HydrophobicContact CD2-CG2 3.61Å; F83-I96 HydrophobicContact CE2-CB 3.94Å; F83-I96 HydrophobicContact CE2-CG2 3.69Å; F83-I96 HydrophobicContact CG-CG2 4.36Å; F83-L100 HydrophobicContact CB-CD1 4.09Å; F83-L100 HydrophobicContact CD1-CD1 3.98Å; F83-L100 HydrophobicContact CG-CD1 4.02Å; F83-I116 HydrophobicContact CD1-CG2 3.67Å; F83-I116 HydrophobicContact CE1-CG2 3.74Å; F83-Y117 VanDerWaalsContact CD1-O 3.23Å; F83-Y117 WeakPolarHBondContact CD1-O 3.36Å; F83-Y117 PolarHBondContact N-O 3.15Å; F83-I118 HydrophobicContact CD1-CG1 4.41Å; F83-I118 HydrophobicContact CE1-CG1 3.6Å; F83-I118 HydrophobicContact CE2-CG1 3.96Å; F83-I118 HydrophobicContact CZ-CD1 4.12Å; F83-I118 HydrophobicContact CZ-CG1 3.35Å; F83-I118 CarbonylContact O-C 3.58Å; F83-I118 WeakPolarHBondContact O-CA 3.37Å; F83-S119 PolarHBondContact O-N 2.65Å; F83-S119 PolarHBondContact O-OG 3.02Å; F83-I133 HydrophobicContact CE1-CD1 4.07Å
84T94.4Very high89.2Confident53 Ų5352 Ų5233%0.32527%0.272SS..  trans-111.8106.5-177.8-59.30000109.6V61 S119 T122V61-T84 WeakPolarHBondContact CA-O 3.5Å; V61-T84 WeakPolarHBondContact CG1-O 3.43Å; V61-T84 WeakPolarHBondContact CG2-O 3.32Å; V61-T84 PolarHBondContact O-N 2.88Å; T84-S119 WeakPolarHBondContact OG1-CB 3.47Å; T84-S119 PolarHBondContact OG1-OG 3.2Å; T84-T122 HydrophobicContact CG2-CG2 3.84Å
85P90.2Very high89.4Confident11 Ų1144.7 Ų44.77%0.07124%0.238CC..  trans-58.1147.5177.4-21.631.3000112.2F83 V87 A93 I118 H123F83-P85 HydrophobicContact CD2-CG 4.3Å; F83-P85 HydrophobicContact CE2-CG 3.85Å; P85-V87 PolarHBondContact O-N 3.19Å; P85-A93 HydrophobicContact CB-CB 3.89Å; P85-A93 HydrophobicContact CG-CB 3.63Å; P85-I118 HydrophobicContact CG-CD1 4.1Å; P85-I118 HydrophobicContact CG-CG1 4.14Å; P85-I118 HydrophobicContact CG-CG2 4.2Å; P85-H123 HydrophobicContact CG-CB 4.48Å
86T85.1Confident89.7Confident40 Ų4037.3 Ų37.325%0.24520%0.204CC..SBendtrans-66.9-20.4179.856.70000113.9L59 V61L59-T86 HydrophobicContact CB-CG2 4.13Å; L59-T86 HydrophobicContact CD1-CG2 4.11Å; V61-T86 HydrophobicContact CG2-CG2 3.6Å
87V83Confident89.7Confident59 Ų5936.3 Ų36.336%0.35820%0.199SC..SBendtrans-141.3135.7-178.7-79.70000111.1P85 H89 C90P85-V87 PolarHBondContact O-N 3.19Å; V87-H89 VanDerWaalsContact C-N 3.29Å; V87-H89 PolarHBondContact O-N 2.8Å; V87-C90 HydrophobicContact CB-CB 4.3Å; V87-C90 HydrophobicContact CG2-CB 3.28Å
88P73.4Confident89.6Confident65 Ų6535.3 Ų35.342%0.42220%0.196SC..THydrogen-bonded Turntrans-77.4-2.9-16928.5-35.6000116T122 H123 S124P88-T122 WeakPolarHBondContact CA-O 3.36Å; P88-T122 WeakPolarHBondContact CB-O 3.45Å; P88-H123 PolarHBondContact O-CD2 2.88Å; P88-H123 PolarHBondContact O-NE2 2.82Å; P88-S124 PolarHBondContact O-N 3.25Å; P88-S124 PolarHBondContact O-OG 3.38Å
89H72.3Confident89.5Confident149 Ų14934.2 Ų34.269%0.6919%0.19SC*.THydrogen-bonded Turntrans-135.638.5-172.5-61.1-60.8000113.2V87 S124V87-H89 VanDerWaalsContact C-N 3.29Å; V87-H89 PolarHBondContact O-N 2.8Å; H89-S124 VanDerWaalsContact ND1-CB 3.29Å; H89-S124 WeakPolarHBondContact ND1-CB 3.47Å; H89-S124 PolarHBondContact ND1-OG 3.13Å
90C72.6Confident89.4Confident28 Ų2834.2 Ų34.219%0.18919%0.19CC..  trans-121.5135.4-168-161.60000113.8V87 L92 A93 H123V87-C90 HydrophobicContact CB-CB 4.3Å; V87-C90 HydrophobicContact CG2-CB 3.28Å; C90-L92 HydrophobicContact CB-CB 4.42Å; C90-L92 PolarHBondContact O-N 2.63Å; C90-L92 VanDerWaalsContact O-N 3.15Å; C90-L92 VanDerWaalsContact SG-CB 3.51Å; C90-L92 WeakPolarHBondContact SG-CG 3.34Å; C90-L92 PolarHBondContact SG-N 3.16Å; C90-L92 VanDerWaalsContact SG-N 3.41Å; C90-A93 PolarHBondContact O-N 2.89Å; C90-H123 PolarHBondContact N-NE2 3.4Å; C90-H123 PolarHBondContact O-NE2 3.33Å
91S75.7Confident89.3Confident100 Ų10034.1 Ų34.170%0.69919%0.189SC*.THydrogen-bonded Turntrans-60.4-18.5168.661.40000113.5A93 T94S91-A93 VanDerWaalsContact C-N 3.26Å; S91-A93 PolarHBondContact O-N 2.96Å; S91-T94 PolarHBondContact O-N 3.42Å
92L87.4Confident89.2Confident31 Ų3134.3 Ų34.316%0.16219%0.19CC..Hα-helixtrans-67.8-23.6179.1-64.3179.5000113.3P50 E51 C90 T94 L95 I96P50-L92 HydrophobicContact CB-CD2 4.32Å; E51-L92 HydrophobicContact CB-CD1 3.72Å; E51-L92 HydrophobicContact CG-CD1 4.29Å; E51-L92 WeakPolarHBondContact OE2-CD1 3.31Å; C90-L92 HydrophobicContact CB-CB 4.42Å; C90-L92 PolarHBondContact O-N 2.63Å; C90-L92 VanDerWaalsContact O-N 3.15Å; C90-L92 VanDerWaalsContact SG-CB 3.51Å; C90-L92 WeakPolarHBondContact SG-CG 3.34Å; C90-L92 PolarHBondContact SG-N 3.16Å; C90-L92 VanDerWaalsContact SG-N 3.41Å; L92-T94 PolarHBondContact O-N 3.21Å; L92-L95 HydrophobicContact CD2-CD1 3.74Å; L92-L95 WeakPolarHBondContact O-CA 3.24Å; L92-L95 WeakPolarHBondContact O-CB 3.43Å; L92-L95 PolarHBondContact O-N 2.97Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 PolarHBondContact O-N 2.94Å
93A92.1Very high89.1Confident1 Ų129.7 Ų29.71%0.00817%0.173CC..Hα-helixtrans-58.4-37.1176.300000111.6F83 P85 C90 S91 I96 G97 I118 I129F83-A93 WeakPolarHBondContact CZ-O 3.44Å; P85-A93 HydrophobicContact CB-CB 3.89Å; P85-A93 HydrophobicContact CG-CB 3.63Å; C90-A93 PolarHBondContact O-N 2.89Å; S91-A93 VanDerWaalsContact C-N 3.26Å; S91-A93 PolarHBondContact O-N 2.96Å; A93-I96 PolarHBondContact O-N 3.39Å; A93-G97 PolarHBondContact O-N 3.46Å; A93-G97 VanDerWaalsContact O-N 3.15Å; A93-I118 HydrophobicContact CB-CD1 4.01Å; A93-I129 HydrophobicContact CB-CD1 3.84Å
94T91.4Very high89.1Confident28 Ų2829.7 Ų29.717%0.17217%0.173CC..Hα-helixtrans-64.7-40.4172.7-54.50000111.7S91 L92 G97 L98 I133S91-T94 PolarHBondContact O-N 3.42Å; L92-T94 PolarHBondContact O-N 3.21Å; T94-G97 PolarHBondContact O-N 3.35Å; T94-L98 HydrophobicContact CG2-CD1 4.44Å; T94-L98 WeakPolarHBondContact O-CG 3.49Å; T94-L98 PolarHBondContact O-N 3.23Å; T94-I133 HydrophobicContact CG2-CG2 4.4Å
95L92.9Very high89Confident21 Ų2132.4 Ų32.411%0.1118%0.182CC..Hα-helixtrans-65.5-42.1178.3-73173.9000112.1P50 L92 G97 L98 C99 L148 I151P50-L95 HydrophobicContact CG-CB 4.14Å; L92-L95 HydrophobicContact CD2-CD1 3.74Å; L92-L95 WeakPolarHBondContact O-CA 3.24Å; L92-L95 WeakPolarHBondContact O-CB 3.43Å; L92-L95 PolarHBondContact O-N 2.97Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 3.4Å; L95-L98 HydrophobicContact CD2-CD1 4.24Å; L95-L98 WeakPolarHBondContact O-CB 3.35Å; L95-L98 PolarHBondContact O-N 3.19Å; L95-L98 VanDerWaalsContact O-N 3.13Å; L95-C99 PolarHBondContact O-N 3.04Å; L95-C99 PolarHBondContact O-SG 2.98Å; L95-L148 HydrophobicContact CD2-CD2 3.93Å; L95-I151 HydrophobicContact CD1-CG2 4.45Å
96I94.4Very high89.2Confident3 Ų338.2 Ų38.22%0.01520%0.203CC..Hα-helixtrans-57.4-47.5174.5-65.5168.9000110.1P50 L56 V61 F83 L92 A93 L98 C99 L100P50-I96 HydrophobicContact CG-CG1 4.33Å; L56-I96 HydrophobicContact CD1-CG2 4.03Å; L56-I96 HydrophobicContact CD2-CG2 4.2Å; V61-I96 HydrophobicContact CG1-CD1 4.39Å; V61-I96 HydrophobicContact CG1-CG2 3.9Å; F83-I96 HydrophobicContact CD2-CB 4.35Å; F83-I96 HydrophobicContact CD2-CG2 3.61Å; F83-I96 HydrophobicContact CE2-CB 3.94Å; F83-I96 HydrophobicContact CE2-CG2 3.69Å; F83-I96 HydrophobicContact CG-CG2 4.36Å; L92-I96 WeakPolarHBondContact O-CG1 3.4Å; L92-I96 PolarHBondContact O-N 2.94Å; A93-I96 PolarHBondContact O-N 3.39Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 3.16Å; I96-C99 PolarHBondContact O-N 3.2Å; I96-L100 HydrophobicContact CG2-CD1 4.27Å; I96-L100 WeakPolarHBondContact O-CG 3.29Å; I96-L100 PolarHBondContact O-N 3.37Å
97G95.3Very high89.6Confident1 Ų139 Ų391%0.0121%0.209CC..Hα-helixtrans-59.9-38.1175.700000113.6A93 T94 L95 R101 I116A93-G97 PolarHBondContact O-N 3.46Å; A93-G97 VanDerWaalsContact O-N 3.15Å; T94-G97 PolarHBondContact O-N 3.35Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 3.4Å; G97-R101 WeakPolarHBondContact O-CB 3.31Å; G97-R101 PolarHBondContact O-N 2.9Å; G97-R101 VanDerWaalsContact O-N 3.09Å; G97-I116 WeakPolarHBondContact O-CD1 3.37Å
98L94.7Very high90.2Very high8 Ų837 Ų374%0.04220%0.196CC..Hα-helixtrans-66.2-43.6174-70.4173.3000111.9T94 L95 I96 L100 R101 V102 V139 A142 V152T94-L98 HydrophobicContact CG2-CD1 4.44Å; T94-L98 WeakPolarHBondContact O-CG 3.49Å; T94-L98 PolarHBondContact O-N 3.23Å; L95-L98 HydrophobicContact CD2-CD1 4.24Å; L95-L98 WeakPolarHBondContact O-CB 3.35Å; L95-L98 PolarHBondContact O-N 3.19Å; L95-L98 VanDerWaalsContact O-N 3.13Å; I96-L98 VanDerWaalsContact C-N 3.32Å; I96-L98 PolarHBondContact O-N 3.16Å; L98-L100 PolarHBondContact O-N 3.36Å; L98-R101 PolarHBondContact O-N 2.92Å; L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 WeakPolarHBondContact O-CG2 3.45Å; L98-V102 PolarHBondContact O-N 3.25Å; L98-V139 HydrophobicContact CD2-CB 4.38Å; L98-V139 HydrophobicContact CD2-CG1 4.04Å; L98-V139 HydrophobicContact CD2-CG2 4.04Å; L98-A142 HydrophobicContact CD1-CB 4.2Å; L98-A142 HydrophobicContact CD2-CB 4.49Å; L98-V152 HydrophobicContact CB-CG2 4.18Å
99C95.6Very high91.2Very high1 Ų139 Ų391%0.00721%0.209CC..Hα-helixtrans-59.5-46.8176.5-65.10000111.7I47 L95 I96 R101 V102 K103 C155 V156I47-C99 HydrophobicContact CG2-CB 3.9Å; L95-C99 PolarHBondContact O-N 3.04Å; L95-C99 PolarHBondContact O-SG 2.98Å; I96-C99 PolarHBondContact O-N 3.2Å; C99-R101 VanDerWaalsContact C-N 3.34Å; C99-R101 PolarHBondContact O-N 3.5Å; C99-V102 PolarHBondContact O-N 3.2Å; C99-K103 VanDerWaalsContact O-CB 3.32Å; C99-K103 WeakPolarHBondContact O-CB 3.43Å; C99-K103 PolarHBondContact O-N 3.22Å; C99-C155 HydrophobicContact CB-CB 4.34Å; C99-C155 WeakPolarHBondContact SG-CB 3.17Å; C99-V156 HydrophobicContact CB-CG1 4.12Å
100L97Very high92.2Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-56.1-48.6174.9-71.3169.4000111.3I44 I47 L56 V62 I81 F83 I96 L98 K103 L104 I116I44-L100 HydrophobicContact CB-CD2 3.62Å; I44-L100 HydrophobicContact CD1-CD2 4.24Å; I44-L100 HydrophobicContact CG1-CD2 4.46Å; I44-L100 HydrophobicContact CG2-CD2 3.66Å; I47-L100 HydrophobicContact CD1-CD2 3.89Å; L56-L100 HydrophobicContact CD1-CD2 4.01Å; L56-L100 HydrophobicContact CD1-CG 4.35Å; V62-L100 HydrophobicContact CG1-CD2 4.17Å; I81-L100 HydrophobicContact CG2-CD1 4.3Å; F83-L100 HydrophobicContact CB-CD1 4.09Å; F83-L100 HydrophobicContact CD1-CD1 3.98Å; F83-L100 HydrophobicContact CG-CD1 4.02Å; I96-L100 HydrophobicContact CG2-CD1 4.27Å; I96-L100 WeakPolarHBondContact O-CG 3.29Å; I96-L100 PolarHBondContact O-N 3.37Å; L98-L100 PolarHBondContact O-N 3.36Å; L100-K103 PolarHBondContact O-N 3.1Å; L100-L104 WeakPolarHBondContact O-CB 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.37Å; L100-L104 VanDerWaalsContact O-N 3.11Å; L100-I116 HydrophobicContact CB-CD1 3.92Å; L100-I116 HydrophobicContact CD1-CG2 4.12Å
101R96Very high93.3Very high11 Ų1137.9 Ų37.94%0.04220%0.199CC..Hα-helixtrans-61.5-48.5179.8-177.4168.3-72.7-73.82.2112.1G97 L98 C99 L104 Q105 L114 I116 I133 N134 V139G97-R101 WeakPolarHBondContact O-CB 3.31Å; G97-R101 PolarHBondContact O-N 2.9Å; G97-R101 VanDerWaalsContact O-N 3.09Å; L98-R101 PolarHBondContact O-N 2.92Å; C99-R101 VanDerWaalsContact C-N 3.34Å; C99-R101 PolarHBondContact O-N 3.5Å; R101-L104 PolarHBondContact O-N 2.95Å; R101-Q105 HydrophobicContact CG-CG 4.34Å; R101-Q105 VanDerWaalsContact O-CB 3.29Å; R101-Q105 WeakPolarHBondContact O-CB 3.34Å; R101-Q105 WeakPolarHBondContact O-CG 3.5Å; R101-Q105 PolarHBondContact O-N 3.09Å; R101-L114 HydrophobicContact CB-CD2 4.25Å; R101-L114 HydrophobicContact CG-CD2 4.14Å; R101-L114 PolarHBondContact NH1-O 3.27Å; R101-L114 PolarHBondContact NH2-O 2.91Å; R101-I116 HydrophobicContact CB-CD1 3.77Å; R101-I133 VanDerWaalsContact CZ-O 3.23Å; R101-I133 PolarHBondContact NE-O 3.17Å; R101-I133 PolarHBondContact NH2-O 3.23Å; R101-N134 PolarHBondContact NH2-OD1 3.2Å; R101-N134 VanDerWaalsContact NH2-OD1 3.13Å; R101-V139 HydrophobicContact CG-CG1 4.45Å
102V94.6Very high94.3Very high5 Ų535.3 Ų35.33%0.0318%0.176CC..Hα-helixtrans-65.6-41.9-178.41710000111.4L98 C99 R106 M143 V152L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 WeakPolarHBondContact O-CG2 3.45Å; L98-V102 PolarHBondContact O-N 3.25Å; C99-V102 PolarHBondContact O-N 3.2Å; V102-R106 VanDerWaalsContact O-CG 3.28Å; V102-R106 WeakPolarHBondContact O-CG 3.36Å; V102-R106 PolarHBondContact O-N 3.44Å; V102-M143 HydrophobicContact CG2-CE 3.84Å; V102-M143 HydrophobicContact CG2-CG 4.34Å; V102-M143 HydrophobicContact CG2-SD 3.76Å; V102-V152 HydrophobicContact CB-CG1 3.86Å; V102-V152 HydrophobicContact CG1-CG1 4.02Å; V102-V152 HydrophobicContact CG2-CG1 3.86Å
103K95.8Very high94.8Very high8 Ų838.8 Ų38.84%0.03519%0.19CC..Hα-helixtrans-58.7-51.3177.3-174.271.1173.6-175.30111.3L43 I47 C99 L100 R106 C107 V156 E158L43-K103 WeakPolarHBondContact O-CE 3.4Å; L43-K103 WeakPolarHBondContact O-CG 3.41Å; I47-K103 HydrophobicContact CD1-CB 3.72Å; I47-K103 HydrophobicContact CD1-CG 3.91Å; I47-K103 HydrophobicContact CG1-CB 4.3Å; I47-K103 HydrophobicContact CG1-CD 4.38Å; I47-K103 HydrophobicContact CG1-CG 4.1Å; C99-K103 VanDerWaalsContact O-CB 3.32Å; C99-K103 WeakPolarHBondContact O-CB 3.43Å; C99-K103 PolarHBondContact O-N 3.22Å; L100-K103 PolarHBondContact O-N 3.1Å; K103-R106 PolarHBondContact O-N 3.11Å; K103-C107 WeakPolarHBondContact O-CB 3.38Å; K103-C107 PolarHBondContact O-N 3.31Å; K103-V156 HydrophobicContact CB-CG1 4.08Å; K103-V156 HydrophobicContact CD-CB 4.03Å; K103-V156 HydrophobicContact CD-CG1 4.45Å; K103-V156 PolarHBondContact NZ-O 3.17Å; K103-E158 IonicContact NZ-OE1 3.7Å; K103-E158 PolarHBondContact NZ-OE1 3.07Å
104L96.6Very high95Very high0 Ų039.5 Ų39.50%019%0.194CC..Hα-helixtrans-70.3-37.3-176.1-67.6172.8000112.7V40 L43 I44 I81 L100 R101 R106 L108 L114V40-L104 HydrophobicContact CG1-CD1 4.28Å; V40-L104 HydrophobicContact CG1-CD2 3.95Å; L43-L104 HydrophobicContact CB-CD2 4.16Å; L43-L104 HydrophobicContact CD1-CD2 4.15Å; I44-L104 HydrophobicContact CG2-CD1 3.93Å; I44-L104 HydrophobicContact CG2-CD2 3.73Å; I44-L104 HydrophobicContact CG2-CG 3.83Å; I81-L104 HydrophobicContact CD1-CD1 3.19Å; L100-L104 WeakPolarHBondContact O-CB 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.37Å; L100-L104 VanDerWaalsContact O-N 3.11Å; R101-L104 PolarHBondContact O-N 2.95Å; L104-R106 PolarHBondContact O-N 2.83Å; L104-L108 HydrophobicContact CB-CD1 3.86Å; L104-L108 HydrophobicContact CB-CG 4.18Å; L104-L108 HydrophobicContact CD2-CD1 3.82Å; L104-L108 HydrophobicContact CD2-CD2 4.07Å; L104-L108 HydrophobicContact CD2-CG 3.73Å; L104-L108 HydrophobicContact CG-CD1 4.33Å; L104-L108 VanDerWaalsContact O-CB 3.31Å; L104-L108 WeakPolarHBondContact O-CB 3.46Å; L104-L108 PolarHBondContact O-N 3.19Å; L104-L108 VanDerWaalsContact O-N 3.1Å; L104-L114 HydrophobicContact CB-CD2 4.02Å; L104-L114 HydrophobicContact CD1-CD1 3.74Å; L104-L114 HydrophobicContact CD1-CD2 3.99Å
105Q93.5Very high95.3Very high111 Ų11141.5 Ų41.552%0.51920%0.201SC..Hα-helixtrans-60.7-28.5173.6-77.9176.3-2500113.1R101R101-Q105 HydrophobicContact CG-CG 4.34Å; R101-Q105 VanDerWaalsContact O-CB 3.29Å; R101-Q105 WeakPolarHBondContact O-CB 3.34Å; R101-Q105 WeakPolarHBondContact O-CG 3.5Å; R101-Q105 PolarHBondContact O-N 3.09Å
106R93.9Very high95.5Very high132 Ų13240.5 Ų40.550%0.49820%0.196SC..Hα-helixtrans-91.9-37.2-178.7-70.7174.6-177.6-176.91.7113.6V102 K103 L104 E153V102-R106 VanDerWaalsContact O-CG 3.28Å; V102-R106 WeakPolarHBondContact O-CG 3.36Å; V102-R106 PolarHBondContact O-N 3.44Å; K103-R106 PolarHBondContact O-N 3.11Å; L104-R106 PolarHBondContact O-N 2.83Å; R106-E153 IonicContact CZ-OE1 2.82Å; R106-E153 IonicContact CZ-OE2 2.8Å; R106-E153 VanDerWaalsContact NH1-CD 3.3Å; R106-E153 IonicContact NH1-OE1 3.21Å; R106-E153 PolarHBondContact NH1-OE1 2.84Å; R106-E153 IonicContact NH1-OE2 2.65Å; R106-E153 PolarHBondContact NH1-OE2 2.98Å; R106-E153 IonicContact NH2-OE1 3.36Å; R106-E153 PolarHBondContact NH2-OE1 2.95Å; R106-E153 IonicContact NH2-OE2 3.62Å
107C94.5Very high95.7Very high56 Ų5644.1 Ų44.138%0.37821%0.21SC..Hα-helixtrans-108.3-18-164.8-61.80000114.2L43 K103 P109L43-C107 HydrophobicContact CD1-CB 3.81Å; L43-C107 HydrophobicContact CD2-CB 3.66Å; L43-C107 HydrophobicContact CG-CB 4.31Å; K103-C107 WeakPolarHBondContact O-CB 3.38Å; K103-C107 PolarHBondContact O-N 3.31Å; C107-P109 WeakPolarHBondContact O-CD 3.41Å
108L94.4Very high95.7Very high18 Ų1844.2 Ų44.29%0.09421%0.21CC..  trans-71.4126179.8-78.4177.2000111.8V40 L43 V79 L104 F110V40-L108 HydrophobicContact CB-CD2 4.49Å; V40-L108 HydrophobicContact CG2-CD1 4.24Å; V40-L108 HydrophobicContact CG2-CD2 3.65Å; L43-L108 HydrophobicContact CD1-CD2 3.55Å; L43-L108 HydrophobicContact CD1-CG 3.95Å; V79-L108 HydrophobicContact CG2-CD1 4.3Å; L104-L108 HydrophobicContact CB-CD1 3.86Å; L104-L108 HydrophobicContact CB-CG 4.18Å; L104-L108 HydrophobicContact CD2-CD1 3.82Å; L104-L108 HydrophobicContact CD2-CD2 4.07Å; L104-L108 HydrophobicContact CD2-CG 3.73Å; L104-L108 HydrophobicContact CG-CD1 4.33Å; L104-L108 VanDerWaalsContact O-CB 3.31Å; L104-L108 WeakPolarHBondContact O-CB 3.46Å; L104-L108 PolarHBondContact O-N 3.19Å; L104-L108 VanDerWaalsContact O-N 3.1Å; L108-F110 VanDerWaalsContact C-N 3.26Å; L108-F110 HydrophobicContact CD1-CE2 4.37Å; L108-F110 HydrophobicContact CD1-CZ 4.23Å; L108-F110 HydrophobicContact CD2-CE1 3.73Å; L108-F110 HydrophobicContact CD2-CZ 3.7Å; L108-F110 HydrophobicContact CG-CZ 4.45Å; L108-F110 PolarHBondContact O-N 3.19Å
109P93.8Very high95.7Very high107 Ų10745 Ų4570%0.69522%0.216SC*.  trans-85.612.4-173.535-36.5000114.1C107C107-P109 WeakPolarHBondContact O-CD 3.41Å
110F94Very high95.5Very high26 Ų2653.5 Ų53.511%0.11426%0.256CS..SBendtrans-136.2156.9-177.455.2-97.8000112K36 E39 V40 Y77 V79 L108 H112K36-F110 HydrophobicContact CD-CD1 3.67Å; K36-F110 HydrophobicContact CD-CE1 3.42Å; K36-F110 VanDerWaalsContact CD-CE1 3.42Å; K36-F110 HydrophobicContact CD-CG 4.31Å; K36-F110 HydrophobicContact CD-CZ 3.88Å; E39-F110 WeakPolarHBondContact OE2-CE1 3.29Å; V40-F110 HydrophobicContact CG2-CZ 4.1Å; Y77-F110 HydrophobicContact CD2-CB 4.37Å; Y77-F110 AromaticContact CD2-CD2 3.57Å; Y77-F110 HydrophobicContact CD2-CD2 3.57Å; Y77-F110 HydrophobicContact CD2-CE2 4.13Å; Y77-F110 HydrophobicContact CD2-CG 4.17Å; Y77-F110 HydrophobicContact CE2-CB 4.42Å; Y77-F110 HydrophobicContact CE2-CD2 4.34Å; Y77-F110 HydrophobicContact CG-CD2 4.2Å; Y77-F110 HydrophobicContact CG-CE2 4.31Å; V79-F110 HydrophobicContact CG2-CE2 4.05Å; V79-F110 HydrophobicContact CG2-CZ 4.38Å; L108-F110 VanDerWaalsContact C-N 3.26Å; L108-F110 HydrophobicContact CD1-CE2 4.37Å; L108-F110 HydrophobicContact CD1-CZ 4.23Å; L108-F110 HydrophobicContact CD2-CE1 3.73Å; L108-F110 HydrophobicContact CD2-CZ 3.7Å; L108-F110 HydrophobicContact CG-CZ 4.45Å; L108-F110 PolarHBondContact O-N 3.19Å; F110-H112 HydrophobicContact CD2-CB 3.99Å; F110-H112 HydrophobicContact CE2-CB 3.9Å; F110-H112 PolarHBondContact O-N 2.91Å; F110-H112 PolarHBondContact O-ND1 2.92Å
111K96.1Very high95.2Very high128 Ų12857 Ų5756%0.55729%0.292SS*.EExtended strand (participates in β ladder)trans-68.9125.1178.6-172.3-171.3177.8-156.50109.5E76 Y77E76-K111 WeakPolarHBondContact CA-O 3.42Å; E76-K111 HydrophobicContact CB-CD 4.13Å; E76-K111 HydrophobicContact CG-CD 4.01Å; E76-K111 HydrophobicContact CG-CG 4.12Å; E76-K111 WeakPolarHBondContact OE2-CE 3.2Å; E76-K111 IonicContact OE2-NZ 2.74Å; E76-K111 PolarHBondContact OE2-NZ 3.45Å; Y77-K111 PolarHBondContact N-O 3.26Å
112H96.9Very high94.8Very high45 Ų4558.4 Ų58.421%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-146154.1-174.962.6-82.3000113.8Y77 V79 F110Y77-H112 CarbonylContact O-C 3.53Å; Y77-H112 WeakPolarHBondContact O-CA 3.3Å; V79-H112 HydrophobicContact CG2-CB 4.12Å; F110-H112 HydrophobicContact CD2-CB 3.99Å; F110-H112 HydrophobicContact CE2-CB 3.9Å; F110-H112 PolarHBondContact O-N 2.91Å; F110-H112 PolarHBondContact O-ND1 2.92Å
113K96.7Very high94.4Very high105 Ų10558.8 Ų58.846%0.45730%0.304SS..EExtended strand (participates in β ladder)trans-99148156.6-62-174.1-168.61670108.2I72 E76 Y77 L78 V79I72-K113 HydrophobicContact CD1-CB 4.18Å; I72-K113 HydrophobicContact CD1-CD 3.6Å; I72-K113 HydrophobicContact CD1-CG 3.86Å; E76-K113 VanDerWaalsContact OE1-CE 3.27Å; E76-K113 WeakPolarHBondContact OE1-CE 3.43Å; Y77-K113 PolarHBondContact O-N 3.09Å; L78-K113 HydrophobicContact CD1-CB 3.85Å; V79-K113 PolarHBondContact N-O 3.18Å
114L97.4Very high94Very high16 Ų1661.9 Ų61.98%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-128.8119.4-176.6-179.763.7000110.6V79 I81 R101 L104 I116V79-L114 HydrophobicContact CB-CD1 3.93Å; V79-L114 HydrophobicContact CG1-CD1 3.79Å; V79-L114 WeakPolarHBondContact O-CA 3.23Å; I81-L114 HydrophobicContact CD1-CD1 4.12Å; R101-L114 HydrophobicContact CB-CD2 4.25Å; R101-L114 HydrophobicContact CG-CD2 4.14Å; R101-L114 PolarHBondContact NH1-O 3.27Å; R101-L114 PolarHBondContact NH2-O 2.91Å; L104-L114 HydrophobicContact CB-CD2 4.02Å; L104-L114 HydrophobicContact CD1-CD1 3.74Å; L104-L114 HydrophobicContact CD1-CD2 3.99Å; L114-I116 HydrophobicContact CD1-CG1 4.11Å; L114-I116 HydrophobicContact CD2-CD1 3.98Å; L114-I116 HydrophobicContact CD2-CG1 4.27Å; L114-I116 HydrophobicContact CG-CD1 4.2Å; L114-I116 HydrophobicContact CG-CG1 3.93Å
115E97.4Very high93.7Very high69 Ų6964.9 Ų64.932%0.32234%0.344SS..EExtended strand (participates in β ladder)trans-114.9129.8170.9-66.5-178.4-168.900109.4L78 V79 I80 I81 Y117 N134L78-E115 HydrophobicContact CD1-CG 3.98Å; V79-E115 PolarHBondContact O-N 3.37Å; I80-E115 WeakPolarHBondContact CA-O 3.38Å; I81-E115 PolarHBondContact N-O 3.01Å; E115-Y117 HydrophobicContact CB-CE2 3.63Å; E115-Y117 PolarHBondContact OE2-OH 3.44Å; E115-N134 WeakPolarHBondContact CA-OD1 3.39Å
116I97.6Very high93.6Very high0 Ų061.5 Ų61.50%033%0.329CS..EExtended strand (participates in β ladder)trans-123.9132.9-178.8-52.9173.9000107.6I81 F83 G97 L100 R101 L114 I133 N134I81-I116 CarbonylContact O-C 3.5Å; I81-I116 WeakPolarHBondContact O-CA 3.44Å; F83-I116 HydrophobicContact CD1-CG2 3.67Å; F83-I116 HydrophobicContact CE1-CG2 3.74Å; G97-I116 WeakPolarHBondContact O-CD1 3.37Å; L100-I116 HydrophobicContact CB-CD1 3.92Å; L100-I116 HydrophobicContact CD1-CG2 4.12Å; R101-I116 HydrophobicContact CB-CD1 3.77Å; L114-I116 HydrophobicContact CD1-CG1 4.11Å; L114-I116 HydrophobicContact CD2-CD1 3.98Å; L114-I116 HydrophobicContact CD2-CG1 4.27Å; L114-I116 HydrophobicContact CG-CD1 4.2Å; L114-I116 HydrophobicContact CG-CG1 3.93Å; I116-I133 HydrophobicContact CB-CD1 3.99Å; I116-I133 HydrophobicContact CB-CG1 4.37Å; I116-I133 HydrophobicContact CG2-CD1 3.9Å; I116-I133 WeakPolarHBondContact O-CD1 3.43Å; I116-N134 PolarHBondContact N-OD1 3.11Å; I116-N134 PolarHBondContact O-ND2 3.44Å
117Y97.1Very high93.5Very high79 Ų7961.3 Ų61.331%0.3133%0.333SS..EExtended strand (participates in β ladder)trans-130.8142.9179.4-59.3-77.9000109.6I80 I81 R82 F83 E115 N130I80-Y117 HydrophobicContact CG2-CD2 4.01Å; I80-Y117 HydrophobicContact CG2-CE2 4.07Å; I81-Y117 PolarHBondContact O-N 3.03Å; R82-Y117 CarbonylContact C-O 3.43Å; R82-Y117 VanDerWaalsContact CA-O 3.23Å; R82-Y117 WeakPolarHBondContact CA-O 3.48Å; F83-Y117 VanDerWaalsContact CD1-O 3.23Å; F83-Y117 WeakPolarHBondContact CD1-O 3.36Å; F83-Y117 PolarHBondContact N-O 3.15Å; E115-Y117 HydrophobicContact CB-CE2 3.63Å; E115-Y117 PolarHBondContact OE2-OH 3.44Å; Y117-N130 WeakPolarHBondContact CA-OD1 3.42Å; Y117-N130 HydrophobicContact CD1-CB 4.32Å
118I95.5Very high93.4Very high3 Ų362.8 Ų62.82%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-69.4139.6160.2-72.6174.5000108F83 P85 A93 E120 T122 H123 E126 I129 N130F83-I118 HydrophobicContact CD1-CG1 4.41Å; F83-I118 HydrophobicContact CE1-CG1 3.6Å; F83-I118 HydrophobicContact CE2-CG1 3.96Å; F83-I118 HydrophobicContact CZ-CD1 4.12Å; F83-I118 HydrophobicContact CZ-CG1 3.35Å; F83-I118 CarbonylContact O-C 3.58Å; F83-I118 WeakPolarHBondContact O-CA 3.37Å; P85-I118 HydrophobicContact CG-CD1 4.1Å; P85-I118 HydrophobicContact CG-CG1 4.14Å; P85-I118 HydrophobicContact CG-CG2 4.2Å; A93-I118 HydrophobicContact CB-CD1 4.01Å; I118-E120 PolarHBondContact O-N 3.44Å; I118-T122 WeakPolarHBondContact CG2-OG1 3.5Å; I118-H123 HydrophobicContact CD1-CB 4.13Å; I118-H123 HydrophobicContact CG2-CB 3.88Å; I118-E126 HydrophobicContact CB-CG 3.94Å; I118-E126 HydrophobicContact CG2-CB 4.43Å; I118-E126 HydrophobicContact CG2-CG 3.91Å; I118-I129 HydrophobicContact CD1-CB 3.76Å; I118-I129 HydrophobicContact CD1-CD1 3.72Å; I118-I129 HydrophobicContact CD1-CG1 4.36Å; I118-I129 HydrophobicContact CD1-CG2 3.59Å; I118-I129 HydrophobicContact CG1-CG2 4.38Å; I118-N130 PolarHBondContact N-OD1 2.99Å
119S94.5Very high93.4Very high25 Ų2562.2 Ų62.218%0.17534%0.335CS..PPolyproline II helixtrans-57.6131.3173.9-63.50000110.8F83 T84 G121 T122F83-S119 PolarHBondContact O-N 2.65Å; F83-S119 PolarHBondContact O-OG 3.02Å; T84-S119 WeakPolarHBondContact OG1-CB 3.47Å; T84-S119 PolarHBondContact OG1-OG 3.2Å; S119-G121 PolarHBondContact O-N 3.5Å; S119-T122 WeakPolarHBondContact O-CB 3.28Å; S119-T122 WeakPolarHBondContact O-CG2 3.49Å; S119-T122 PolarHBondContact O-N 3.34Å; S119-T122 VanDerWaalsContact O-N 3.16Å; S119-T122 PolarHBondContact O-OG1 2.96Å
120E92.5Very high93.4Very high179 Ų17958.2 Ų58.284%0.83631%0.307SS*.THydrogen-bonded Turntrans-54.1129.6-173-64.7-177.8-178.700112.6I118 T122 E126I118-E120 PolarHBondContact O-N 3.44Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 2.88Å; E120-E126 WeakPolarHBondContact CA-OE2 3.32Å
121G90.5Very high93.4Very high75 Ų7562.5 Ų62.577%0.77333%0.326SS*.THydrogen-bonded Turntrans79.36.4175.600000115S119 E126S119-G121 PolarHBondContact O-N 3.5Å; G121-E126 PolarHBondContact N-OE2 3.15Å
122T87.2Confident93.2Very high39 Ų3959.9 Ų59.924%0.23932%0.316CS..SBendtrans-93.9-13.4-178.366.60000114T84 P88 I118 S119 E120T84-T122 HydrophobicContact CG2-CG2 3.84Å; P88-T122 WeakPolarHBondContact CA-O 3.36Å; P88-T122 WeakPolarHBondContact CB-O 3.45Å; I118-T122 WeakPolarHBondContact CG2-OG1 3.5Å; S119-T122 WeakPolarHBondContact O-CB 3.28Å; S119-T122 WeakPolarHBondContact O-CG2 3.49Å; S119-T122 PolarHBondContact O-N 3.34Å; S119-T122 VanDerWaalsContact O-N 3.16Å; S119-T122 PolarHBondContact O-OG1 2.96Å; E120-T122 VanDerWaalsContact C-N 3.29Å; E120-T122 PolarHBondContact O-N 2.88Å
123H86.8Confident93.1Very high14 Ų1457.8 Ų57.87%0.06531%0.306CS..  trans-141140.5-179.2-162.9-91.7000112.8P85 P88 C90 I118 T125 E126 I129P85-H123 HydrophobicContact CG-CB 4.48Å; P88-H123 PolarHBondContact O-CD2 2.88Å; P88-H123 PolarHBondContact O-NE2 2.82Å; C90-H123 PolarHBondContact N-NE2 3.4Å; C90-H123 PolarHBondContact O-NE2 3.33Å; I118-H123 HydrophobicContact CD1-CB 4.13Å; I118-H123 HydrophobicContact CG2-CB 3.88Å; H123-T125 VanDerWaalsContact C-N 3.35Å; H123-T125 PolarHBondContact CE1-OG1 3.37Å; H123-T125 PolarHBondContact ND1-N 2.91Å; H123-T125 VanDerWaalsContact ND1-N 3.19Å; H123-T125 PolarHBondContact ND1-OG1 3.49Å; H123-T125 VanDerWaalsContact ND1-OG1 3.17Å; H123-T125 PolarHBondContact O-N 2.69Å; H123-E126 HydrophobicContact CB-CB 4.47Å; H123-E126 WeakPolarHBondContact O-CB 3.44Å; H123-E126 PolarHBondContact O-N 3.29Å; H123-I129 WeakPolarHBondContact CE1-CD1 3.42Å; H123-I129 WeakPolarHBondContact ND1-CD1 3.46Å
124S87.6Confident93Very high73 Ų7354.9 Ų54.951%0.5130%0.296SS..THydrogen-bonded Turntrans-65.1-31.5-177.251.10000115.3P88 H89P88-S124 PolarHBondContact O-N 3.25Å; P88-S124 PolarHBondContact O-OG 3.38Å; H89-S124 VanDerWaalsContact ND1-CB 3.29Å; H89-S124 WeakPolarHBondContact ND1-CB 3.47Å; H89-S124 PolarHBondContact ND1-OG 3.13Å
125T89.5Confident92.9Very high62 Ų6256.8 Ų56.838%0.3831%0.306SS..THydrogen-bonded Turntrans-113.934.517963.90000111.4H123 E127 D128 I129H123-T125 VanDerWaalsContact C-N 3.35Å; H123-T125 PolarHBondContact CE1-OG1 3.37Å; H123-T125 PolarHBondContact ND1-N 2.91Å; H123-T125 VanDerWaalsContact ND1-N 3.19Å; H123-T125 PolarHBondContact ND1-OG1 3.49Å; H123-T125 VanDerWaalsContact ND1-OG1 3.17Å; H123-T125 PolarHBondContact O-N 2.69Å; T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 3.41Å; T125-D128 PolarHBondContact O-N 3.35Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.15Å; T125-I129 VanDerWaalsContact O-N 3.09Å; T125-I129 WeakPolarHBondContact OG1-CD1 3.48Å
126E91.7Very high92.7Very high40 Ų4061.4 Ų61.419%0.18733%0.325CS..Hα-helixtrans-48.7-51.3-177.8178.9-176144.100112.6I118 E120 G121 H123 D128 I129 N130I118-E126 HydrophobicContact CB-CG 3.94Å; I118-E126 HydrophobicContact CG2-CB 4.43Å; I118-E126 HydrophobicContact CG2-CG 3.91Å; E120-E126 WeakPolarHBondContact CA-OE2 3.32Å; G121-E126 PolarHBondContact N-OE2 3.15Å; H123-E126 HydrophobicContact CB-CB 4.47Å; H123-E126 WeakPolarHBondContact O-CB 3.44Å; H123-E126 PolarHBondContact O-N 3.29Å; E126-D128 PolarHBondContact O-N 3.27Å; E126-I129 PolarHBondContact O-N 3.42Å; E126-N130 WeakPolarHBondContact O-CB 3.23Å; E126-N130 PolarHBondContact O-N 2.94Å
127E92.4Very high92.6Very high128 Ų12869.1 Ų69.160%0.59836%0.361SS*.Hα-helixtrans-60.6-43.2-176.4-169.5-173.7161.300112.4T125 N130 K131T125-E127 VanDerWaalsContact C-N 3.34Å; T125-E127 PolarHBondContact O-N 3.41Å; E127-N130 PolarHBondContact O-N 2.96Å; E127-K131 WeakPolarHBondContact O-CG 3.49Å; E127-K131 PolarHBondContact O-N 3.23Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3Å
128D92.4Very high92.4Very high88 Ų8872.1 Ų72.147%0.47137%0.372SS..Hα-helixtrans-69.1-37.8-179.7-72.2-29.9000111.9T125 E126 K131 Q132T125-D128 PolarHBondContact O-N 3.35Å; E126-D128 PolarHBondContact O-N 3.27Å; D128-K131 PolarHBondContact O-N 2.61Å; D128-Q132 VanDerWaalsContact O-CG 3.25Å; D128-Q132 WeakPolarHBondContact O-CG 3.43Å; D128-Q132 PolarHBondContact O-N 3.22Å
129I92.7Very high92.4Very high6 Ų672.4 Ų72.43%0.03137%0.373CS..Hα-helixtrans-69.5-45176.7-63.3170.4000109.9A93 I118 H123 T125 E126 K131 Q132 I133A93-I129 HydrophobicContact CB-CD1 3.84Å; I118-I129 HydrophobicContact CD1-CB 3.76Å; I118-I129 HydrophobicContact CD1-CD1 3.72Å; I118-I129 HydrophobicContact CD1-CG1 4.36Å; I118-I129 HydrophobicContact CD1-CG2 3.59Å; I118-I129 HydrophobicContact CG1-CG2 4.38Å; H123-I129 WeakPolarHBondContact CE1-CD1 3.42Å; H123-I129 WeakPolarHBondContact ND1-CD1 3.46Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.15Å; T125-I129 VanDerWaalsContact O-N 3.09Å; T125-I129 WeakPolarHBondContact OG1-CD1 3.48Å; E126-I129 PolarHBondContact O-N 3.42Å; I129-K131 VanDerWaalsContact C-N 3.25Å; I129-K131 PolarHBondContact O-N 2.96Å; I129-Q132 PolarHBondContact O-N 3.37Å; I129-I133 HydrophobicContact CG2-CD1 4.37Å; I129-I133 HydrophobicContact CG2-CG2 3.96Å; I129-I133 WeakPolarHBondContact O-CG1 3.17Å; I129-I133 WeakPolarHBondContact O-CG2 3.49Å; I129-I133 PolarHBondContact O-N 3.5Å
130N95.2Very high92.4Very high23 Ų2373.9 Ų73.912%0.12339%0.387CS..Hα-helixtrans-56.7-39.7176-72.5-11.3000111.6Y117 I118 E126 E127 N134Y117-N130 WeakPolarHBondContact CA-OD1 3.42Å; Y117-N130 HydrophobicContact CD1-CB 4.32Å; I118-N130 PolarHBondContact N-OD1 2.99Å; E126-N130 WeakPolarHBondContact O-CB 3.23Å; E126-N130 PolarHBondContact O-N 2.94Å; E127-N130 PolarHBondContact O-N 2.96Å; N130-N134 WeakPolarHBondContact O-CB 3.47Å; N130-N134 PolarHBondContact O-N 3.23Å; N130-N134 PolarHBondContact O-ND2 3.27Å
131K94Very high92.5Very high115 Ų11568.5 Ų68.550%0.537%0.373SS..Hα-helixtrans-64.5-45.9172.2-73.9171.4-173.3163.30111.9E127 D128 I129 D135E127-K131 WeakPolarHBondContact O-CG 3.49Å; E127-K131 PolarHBondContact O-N 3.23Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3Å; D128-K131 PolarHBondContact O-N 2.61Å; I129-K131 VanDerWaalsContact C-N 3.25Å; I129-K131 PolarHBondContact O-N 2.96Å; K131-D135 VanDerWaalsContact O-CB 3.3Å; K131-D135 WeakPolarHBondContact O-CB 3.49Å; K131-D135 PolarHBondContact O-N 3.35Å; K131-D135 VanDerWaalsContact O-N 3.1Å
132Q92.5Very high92.6Very high73 Ų7365.9 Ų65.934%0.34134%0.344SS..Hα-helixtrans-64.2-44.9-178.4-74.1173.240.200112.9D128 I129 N134D128-Q132 VanDerWaalsContact O-CG 3.25Å; D128-Q132 WeakPolarHBondContact O-CG 3.43Å; D128-Q132 PolarHBondContact O-N 3.22Å; I129-Q132 PolarHBondContact O-N 3.37Å; Q132-N134 VanDerWaalsContact C-N 3.31Å; Q132-N134 PolarHBondContact O-N 3.25Å
133I93.4Very high93Very high1 Ų165.5 Ų65.51%0.00534%0.34CS..Hα-helixtrans-74.8-18.8-17666.7-170.4000113.3F83 T94 R101 I116 I129F83-I133 HydrophobicContact CE1-CD1 4.07Å; T94-I133 HydrophobicContact CG2-CG2 4.4Å; R101-I133 VanDerWaalsContact CZ-O 3.23Å; R101-I133 PolarHBondContact NE-O 3.17Å; R101-I133 PolarHBondContact NH2-O 3.23Å; I116-I133 HydrophobicContact CB-CD1 3.99Å; I116-I133 HydrophobicContact CB-CG1 4.37Å; I116-I133 HydrophobicContact CG2-CD1 3.9Å; I116-I133 WeakPolarHBondContact O-CD1 3.43Å; I129-I133 HydrophobicContact CG2-CD1 4.37Å; I129-I133 HydrophobicContact CG2-CG2 3.96Å; I129-I133 WeakPolarHBondContact O-CG1 3.17Å; I129-I133 WeakPolarHBondContact O-CG2 3.49Å; I129-I133 PolarHBondContact O-N 3.5Å
134N95.2Very high93.4Very high45 Ų4572.6 Ų72.624%0.24137%0.373CS..Hα-helixtrans-101.3-10.4177-67.5-57000114.1R101 E115 I116 N130 Q132 K136R101-N134 PolarHBondContact NH2-OD1 3.2Å; R101-N134 VanDerWaalsContact NH2-OD1 3.13Å; E115-N134 WeakPolarHBondContact CA-OD1 3.39Å; I116-N134 PolarHBondContact N-OD1 3.11Å; I116-N134 PolarHBondContact O-ND2 3.44Å; N130-N134 WeakPolarHBondContact O-CB 3.47Å; N130-N134 PolarHBondContact O-N 3.23Å; N130-N134 PolarHBondContact O-ND2 3.27Å; Q132-N134 VanDerWaalsContact C-N 3.31Å; Q132-N134 PolarHBondContact O-N 3.25Å; N134-K136 PolarHBondContact O-N 3Å
135D95.8Very high93.7Very high55 Ų5572.1 Ų72.129%0.29437%0.365SS..  trans-79.5108.5171.7-178.1-30.8000110.1K131 E137 R138 V139K131-D135 VanDerWaalsContact O-CB 3.3Å; K131-D135 WeakPolarHBondContact O-CB 3.49Å; K131-D135 PolarHBondContact O-N 3.35Å; K131-D135 VanDerWaalsContact O-N 3.1Å; D135-E137 VanDerWaalsContact C-N 3.29Å; D135-E137 PolarHBondContact O-N 3.17Å; D135-E137 PolarHBondContact OD1-N 3.35Å; D135-R138 HydrophobicContact CB-CB 3.96Å; D135-R138 HydrophobicContact CB-CG 3.98Å; D135-R138 VanDerWaalsContact CG-CG 3.46Å; D135-R138 PolarHBondContact O-N 3.47Å; D135-R138 PolarHBondContact OD1-N 2.57Å; D135-R138 VanDerWaalsContact OD2-CD 3.28Å; D135-R138 WeakPolarHBondContact OD2-CD 3.29Å; D135-R138 WeakPolarHBondContact OD2-CG 3.4Å; D135-R138 IonicContact OD2-NE 3.2Å; D135-R138 PolarHBondContact OD2-NE 3.05Å; D135-V139 WeakPolarHBondContact O-CG2 3.33Å; D135-V139 PolarHBondContact O-N 2.84Å
136K92.4Very high94Very high166 Ų16672.9 Ų72.972%0.72237%0.371SS*.Hα-helixtrans-61.1-35.6-176.9-65.2-177.1-179.5-178.80113N134 A140N134-K136 PolarHBondContact O-N 3Å; K136-A140 WeakPolarHBondContact O-CB 3.36Å; K136-A140 PolarHBondContact O-N 3.33Å
137E95.6Very high94Very high162 Ų16276.3 Ų76.376%0.75739%0.39SS*.Hα-helixtrans-71.8-40.9-179.2-63.4-173.5173.700110.3D135 A140 A141D135-E137 VanDerWaalsContact C-N 3.29Å; D135-E137 PolarHBondContact O-N 3.17Å; D135-E137 PolarHBondContact OD1-N 3.35Å; E137-A140 PolarHBondContact O-N 3.46Å; E137-A141 WeakPolarHBondContact O-CB 3.35Å; E137-A141 PolarHBondContact O-N 2.82Å
138R94.1Very high94.1Very high143 Ų14372.6 Ų72.654%0.5438%0.375SS..Hα-helixtrans-64.7-43.3174.7-70.2-179.9-176.4-126.3-2.3112.5D135 A141 A142D135-R138 HydrophobicContact CB-CB 3.96Å; D135-R138 HydrophobicContact CB-CG 3.98Å; D135-R138 VanDerWaalsContact CG-CG 3.46Å; D135-R138 PolarHBondContact O-N 3.47Å; D135-R138 PolarHBondContact OD1-N 2.57Å; D135-R138 VanDerWaalsContact OD2-CD 3.28Å; D135-R138 WeakPolarHBondContact OD2-CD 3.29Å; D135-R138 WeakPolarHBondContact OD2-CG 3.4Å; D135-R138 IonicContact OD2-NE 3.2Å; D135-R138 PolarHBondContact OD2-NE 3.05Å; R138-A141 PolarHBondContact O-N 2.92Å; R138-A142 WeakPolarHBondContact O-CB 3.25Å; R138-A142 PolarHBondContact O-N 2.88Å
139V93.9Very high94.1Very high9 Ų974.6 Ų74.66%0.05538%0.376CS..Hα-helixtrans-60.8-47.1175.6170.50000110.4L98 R101 D135 A141 A142 M143L98-V139 HydrophobicContact CD2-CB 4.38Å; L98-V139 HydrophobicContact CD2-CG1 4.04Å; L98-V139 HydrophobicContact CD2-CG2 4.04Å; R101-V139 HydrophobicContact CG-CG1 4.45Å; D135-V139 WeakPolarHBondContact O-CG2 3.33Å; D135-V139 PolarHBondContact O-N 2.84Å; V139-A141 PolarHBondContact O-N 3.34Å; V139-A142 PolarHBondContact O-N 3.23Å; V139-M143 WeakPolarHBondContact O-CG 3.44Å; V139-M143 PolarHBondContact O-N 3.47Å
140A94.4Very high94.2Very high55 Ų5579.8 Ų79.846%0.45540%0.4SS..Hα-helixtrans-59.4-47.1178.400000111.2K136 E137 A142 M143 E144K136-A140 WeakPolarHBondContact O-CB 3.36Å; K136-A140 PolarHBondContact O-N 3.33Å; E137-A140 PolarHBondContact O-N 3.46Å; A140-A142 VanDerWaalsContact C-N 3.3Å; A140-A142 PolarHBondContact O-N 2.95Å; A140-M143 PolarHBondContact O-N 3.4Å; A140-M143 VanDerWaalsContact O-N 3.16Å; A140-E144 PolarHBondContact O-N 3.2Å
141A95.3Very high94.1Very high66 Ų6681.7 Ų81.755%0.54541%0.409SS..Hα-helixtrans-61.2-36.3176.500000113.1E137 R138 V139 E144E137-A141 WeakPolarHBondContact O-CB 3.35Å; E137-A141 PolarHBondContact O-N 2.82Å; R138-A141 PolarHBondContact O-N 2.92Å; V139-A141 PolarHBondContact O-N 3.34Å; A141-E144 PolarHBondContact O-N 2.94Å
142A93.4Very high94.1Very high21 Ų2176.2 Ų76.217%0.17439%0.385CS..Hα-helixtrans-66.2-38.7175.600000112.1L98 R138 V139 A140 E144 N145 L148L98-A142 HydrophobicContact CD1-CB 4.2Å; L98-A142 HydrophobicContact CD2-CB 4.49Å; R138-A142 WeakPolarHBondContact O-CB 3.25Å; R138-A142 PolarHBondContact O-N 2.88Å; V139-A142 PolarHBondContact O-N 3.23Å; A140-A142 VanDerWaalsContact C-N 3.3Å; A140-A142 PolarHBondContact O-N 2.95Å; A142-E144 VanDerWaalsContact C-N 3.3Å; A142-E144 PolarHBondContact O-N 3.22Å; A142-N145 WeakPolarHBondContact O-CB 3.46Å; A142-N145 PolarHBondContact O-N 3.21Å; A142-N145 VanDerWaalsContact O-N 3.15Å; A142-L148 HydrophobicContact CB-CD1 4.16Å
143M93.7Very high94.2Very high31 Ų3175.1 Ų75.115%0.15338%0.38CS..Hα-helixtrans-74-17.3179-66.6-52.8-59.400114.1V102 V139 A140 N145 R149 V152V102-M143 HydrophobicContact CG2-CE 3.84Å; V102-M143 HydrophobicContact CG2-CG 4.34Å; V102-M143 HydrophobicContact CG2-SD 3.76Å; V139-M143 WeakPolarHBondContact O-CG 3.44Å; V139-M143 PolarHBondContact O-N 3.47Å; A140-M143 PolarHBondContact O-N 3.4Å; A140-M143 VanDerWaalsContact O-N 3.16Å; M143-N145 VanDerWaalsContact C-N 3.27Å; M143-R149 HydrophobicContact CE-CB 4.28Å; M143-R149 HydrophobicContact CE-CG 3.95Å; M143-V152 HydrophobicContact CE-CB 4.31Å; M143-V152 HydrophobicContact CE-CG1 4.12Å; M143-V152 HydrophobicContact SD-CG1 4.37Å; M143-V152 HydrophobicContact SD-CG2 4.36Å
144E95.5Very high94.2Very high163 Ų16380.3 Ų80.376%0.76240%0.404SS*.THydrogen-bonded Turntrans-74.7-16.4169-67.4-60.1140.700112.6A140 A141 A142 P146A140-E144 PolarHBondContact O-N 3.2Å; A141-E144 PolarHBondContact O-N 2.94Å; A142-E144 VanDerWaalsContact C-N 3.3Å; A142-E144 PolarHBondContact O-N 3.22Å; E144-P146 WeakPolarHBondContact O-CD 3.35Å
145N94.7Very high94.1Very high63 Ų6378.5 Ų78.534%0.33740%0.395SS..SBendtrans-77.1116.4174.2-175.2-31.5000109.9A142 M143 N147 L148 R149A142-N145 WeakPolarHBondContact O-CB 3.46Å; A142-N145 PolarHBondContact O-N 3.21Å; A142-N145 VanDerWaalsContact O-N 3.15Å; M143-N145 VanDerWaalsContact C-N 3.27Å; N145-N147 VanDerWaalsContact C-N 3.27Å; N145-N147 PolarHBondContact O-N 3.37Å; N145-N147 WeakPolarHBondContact OD1-CB 3.01Å; N145-N147 PolarHBondContact OD1-N 3.26Å; N145-L148 HydrophobicContact CB-CB 4.2Å; N145-L148 HydrophobicContact CB-CD1 4.06Å; N145-L148 HydrophobicContact CB-CG 4.06Å; N145-L148 PolarHBondContact O-N 3.46Å; N145-R149 WeakPolarHBondContact O-CB 3.41Å; N145-R149 PolarHBondContact O-N 3.26Å
146P95.3Very high94.1Very high77 Ų7776.4 Ų76.450%0.538%0.384SS..Hα-helixtrans-60.9-34.4-174.823.9-33.9000113.2E144 E150E144-P146 WeakPolarHBondContact O-CD 3.35Å; P146-E150 WeakPolarHBondContact O-CB 3.45Å; P146-E150 PolarHBondContact O-N 3.24Å
147N93.1Very high93.8Very high112 Ų11273.7 Ų73.760%0.59938%0.377SS*.Hα-helixtrans-68.8-44.2-179.6-60.4-28.5000111.2N145 I151N145-N147 VanDerWaalsContact C-N 3.27Å; N145-N147 PolarHBondContact O-N 3.37Å; N145-N147 WeakPolarHBondContact OD1-CB 3.01Å; N145-N147 PolarHBondContact OD1-N 3.26Å; N147-I151 WeakPolarHBondContact O-CG1 3.44Å; N147-I151 PolarHBondContact O-N 3.04Å
148L92.5Very high92.9Very high51 Ų5171 Ų7127%0.26736%0.364SS..Hα-helixtrans-68-43.1177.9-62.8-176.9000110.6L95 A142 N145 E150 I151 V152L95-L148 HydrophobicContact CD2-CD2 3.93Å; A142-L148 HydrophobicContact CB-CD1 4.16Å; N145-L148 HydrophobicContact CB-CB 4.2Å; N145-L148 HydrophobicContact CB-CD1 4.06Å; N145-L148 HydrophobicContact CB-CG 4.06Å; N145-L148 PolarHBondContact O-N 3.46Å; L148-E150 PolarHBondContact O-N 3.36Å; L148-I151 PolarHBondContact O-N 3.16Å; L148-V152 VanDerWaalsContact O-CG2 3.29Å; L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.14Å
149R94.1Very high91.5Very high130 Ų13067.8 Ų67.849%0.49136%0.363SS..Hα-helixtrans-57.5-49.4177.1-173.3174.269.21063.5110.9M143 N145 I151 V152 E153M143-R149 HydrophobicContact CE-CB 4.28Å; M143-R149 HydrophobicContact CE-CG 3.95Å; N145-R149 WeakPolarHBondContact O-CB 3.41Å; N145-R149 PolarHBondContact O-N 3.26Å; R149-I151 PolarHBondContact O-N 3.41Å; R149-V152 PolarHBondContact O-N 3.48Å; R149-E153 HydrophobicContact CG-CG 4.24Å; R149-E153 VanDerWaalsContact O-CG 3.25Å; R149-E153 WeakPolarHBondContact O-CG 3.23Å; R149-E153 PolarHBondContact O-N 3.12Å
150E94.6Very high89.6Confident115 Ų11579 Ų7954%0.53742%0.422SS..Hα-helixtrans-58.2-44.7179.7-176172.4-168.700112.7P146 L148 E153 Q154P146-E150 WeakPolarHBondContact O-CB 3.45Å; P146-E150 PolarHBondContact O-N 3.24Å; L148-E150 PolarHBondContact O-N 3.36Å; E150-E153 PolarHBondContact O-N 3.14Å; E150-Q154 VanDerWaalsContact O-CG 3.3Å; E150-Q154 WeakPolarHBondContact O-CG 3.4Å; E150-Q154 PolarHBondContact O-N 2.93Å
151I92.8Very high89.4Confident62 Ų6280.2 Ų80.232%0.31842%0.42SS..Hα-helixtrans-61.5-47.7176.1-65.4166.1000110.5P50 L95 N147 L148 R149 E153 Q154 C155P50-I151 HydrophobicContact CB-CG2 4.31Å; L95-I151 HydrophobicContact CD1-CG2 4.45Å; N147-I151 WeakPolarHBondContact O-CG1 3.44Å; N147-I151 PolarHBondContact O-N 3.04Å; L148-I151 PolarHBondContact O-N 3.16Å; R149-I151 PolarHBondContact O-N 3.41Å; I151-E153 PolarHBondContact O-N 3.46Å; I151-Q154 PolarHBondContact O-N 2.84Å; I151-C155 PolarHBondContact O-N 2.83Å; I151-C155 PolarHBondContact O-SG 2.94Å; I151-C155 VanDerWaalsContact O-SG 3.37Å
152V94.2Very high89.1Confident0 Ų080.9 Ų80.90%041%0.414CS..Hα-helixtrans-62.4-43.5179.9171.90000111.1L98 V102 M143 L148 R149 Q154 C155 V156L98-V152 HydrophobicContact CB-CG2 4.18Å; V102-V152 HydrophobicContact CB-CG1 3.86Å; V102-V152 HydrophobicContact CG1-CG1 4.02Å; V102-V152 HydrophobicContact CG2-CG1 3.86Å; M143-V152 HydrophobicContact CE-CB 4.31Å; M143-V152 HydrophobicContact CE-CG1 4.12Å; M143-V152 HydrophobicContact SD-CG1 4.37Å; M143-V152 HydrophobicContact SD-CG2 4.36Å; L148-V152 VanDerWaalsContact O-CG2 3.29Å; L148-V152 WeakPolarHBondContact O-CG2 3.45Å; L148-V152 PolarHBondContact O-N 3.14Å; R149-V152 PolarHBondContact O-N 3.48Å; V152-Q154 PolarHBondContact O-N 3.39Å; V152-C155 PolarHBondContact O-N 3.18Å; V152-V156 HydrophobicContact CG1-CG1 4.45Å; V152-V156 WeakPolarHBondContact O-CG1 3.35Å; V152-V156 WeakPolarHBondContact O-CG2 3.24Å; V152-V156 PolarHBondContact O-N 3.27Å; V152-V156 VanDerWaalsContact O-N 3.12Å
153E94.1Very high88.8Confident51 Ų5184.2 Ų84.224%0.23843%0.427CS..Hα-helixtrans-56.2-50.7174.8-68.3-58.9160.300110.6R106 R149 E150 I151 C155 V156 L157R106-E153 IonicContact CZ-OE1 2.82Å; R106-E153 IonicContact CZ-OE2 2.8Å; R106-E153 VanDerWaalsContact NH1-CD 3.3Å; R106-E153 IonicContact NH1-OE1 3.21Å; R106-E153 PolarHBondContact NH1-OE1 2.84Å; R106-E153 IonicContact NH1-OE2 2.65Å; R106-E153 PolarHBondContact NH1-OE2 2.98Å; R106-E153 IonicContact NH2-OE1 3.36Å; R106-E153 PolarHBondContact NH2-OE1 2.95Å; R106-E153 IonicContact NH2-OE2 3.62Å; R149-E153 HydrophobicContact CG-CG 4.24Å; R149-E153 VanDerWaalsContact O-CG 3.25Å; R149-E153 WeakPolarHBondContact O-CG 3.23Å; R149-E153 PolarHBondContact O-N 3.12Å; E150-E153 PolarHBondContact O-N 3.14Å; I151-E153 PolarHBondContact O-N 3.46Å; E153-C155 PolarHBondContact O-N 2.93Å; E153-V156 WeakPolarHBondContact O-CG2 3.13Å; E153-V156 PolarHBondContact O-N 3.27Å; E153-V156 VanDerWaalsContact O-N 3.14Å; E153-L157 WeakPolarHBondContact O-CG 3.36Å; E153-L157 PolarHBondContact O-N 3.01Å; E153-L157 VanDerWaalsContact O-N 3.16Å
154Q93.1Very high88.5Confident109 Ų10987.4 Ų87.451%0.50944%0.443SS..Hα-helixtrans-58.5-36.2179.5-72.5173.70.600112.9E150 I151 V152E150-Q154 VanDerWaalsContact O-CG 3.3Å; E150-Q154 WeakPolarHBondContact O-CG 3.4Å; E150-Q154 PolarHBondContact O-N 2.93Å; I151-Q154 PolarHBondContact O-N 2.84Å; V152-Q154 PolarHBondContact O-N 3.39Å
155C94Very high88.1Confident7 Ų782.6 Ų82.65%0.04742%0.423CS..Hα-helixtrans-71.7-32.3178.2-72.30000113.7I47 R48 C99 I151 V152 E153I47-C155 HydrophobicContact CG2-CB 4.34Å; R48-C155 PolarHBondContact N-O 3.21Å; R48-C155 WeakPolarHBondContact O-CB 3.3Å; R48-C155 PolarHBondContact O-SG 3.48Å; R48-C155 VanDerWaalsContact O-SG 3.36Å; C99-C155 HydrophobicContact CB-CB 4.34Å; C99-C155 WeakPolarHBondContact SG-CB 3.17Å; I151-C155 PolarHBondContact O-N 2.83Å; I151-C155 PolarHBondContact O-SG 2.94Å; I151-C155 VanDerWaalsContact O-SG 3.37Å; V152-C155 PolarHBondContact O-N 3.18Å; E153-C155 PolarHBondContact O-N 2.93Å
156V94.4Very high87.7Confident11 Ų1183.9 Ų83.97%0.06743%0.429CS..Hα-helixtrans-96.2-6.6-173.9-58.50000114.4C99 K103 V152 E153 E158C99-V156 HydrophobicContact CB-CG1 4.12Å; K103-V156 HydrophobicContact CB-CG1 4.08Å; K103-V156 HydrophobicContact CD-CB 4.03Å; K103-V156 HydrophobicContact CD-CG1 4.45Å; K103-V156 PolarHBondContact NZ-O 3.17Å; V152-V156 HydrophobicContact CG1-CG1 4.45Å; V152-V156 WeakPolarHBondContact O-CG1 3.35Å; V152-V156 WeakPolarHBondContact O-CG2 3.24Å; V152-V156 PolarHBondContact O-N 3.27Å; V152-V156 VanDerWaalsContact O-N 3.12Å; E153-V156 WeakPolarHBondContact O-CG2 3.13Å; E153-V156 PolarHBondContact O-N 3.27Å; E153-V156 VanDerWaalsContact O-N 3.14Å; V156-E158 PolarHBondContact O-N 2.91Å
157L88.1Confident87.1Confident110 Ų11084.4 Ų84.458%0.57642%0.424SS*.PPolyproline II helixtrans-58131.9173.9-75.9171.9000110.4E153E153-L157 WeakPolarHBondContact O-CG 3.36Å; E153-L157 PolarHBondContact O-N 3.01Å; E153-L157 VanDerWaalsContact O-N 3.16Å
158E75.2Confident86.7Confident104 Ų10482.3 Ų82.349%0.48641%0.41SS..PPolyproline II helixtrans-64.1140.1168.8-64.9-63.1161.400109.1K103 V156 D160K103-E158 IonicContact NZ-OE1 3.7Å; K103-E158 PolarHBondContact NZ-OE1 3.07Å; V156-E158 PolarHBondContact O-N 2.91Å; E158-D160 PolarHBondContact O-N 2.85Å
159P65Low86.2Confident77 Ų7784.9 Ų84.950%0.542%0.422SS..PPolyproline II helixtrans-60.6137166.926.9-31.4000109.4
160D54.5Low85.4Confident243 Ų24380.8 Ų80.8100%1.29942%0.416SS*.  trans-54.60173.2-68.1-47.2000112.9E158E158-D160 PolarHBondContact O-N 2.85Å

Retrieved 160 of 160 residues in 40.4 ms (Link to these results)

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