G4VIQ2_SCHMA Loading...

Putative signal recognition particle 19 kD protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). Binds directly to 7SL RNA. Mediates binding of SRP54 to the SRP complex.

AlphaFold DB , UniProt , Accession G4VIQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 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
1M55.2Low80.3Confident224 Ų224120.6 Ų120.6100%1.10362%0.621SS**  0119.60-70.6-169.1-142.400107.7
2E60.7Low81.5Confident191 Ų191122.9 Ų122.989%0.89364%0.635SS**  trans-59.4138.6171.8-67.7-175147.200109.7P4E2-P4 WeakPolarHBondContact O-CD 3.23Å
3R68.2Low82.6Confident213 Ų213117.4 Ų117.480%0.80461%0.607SS**  trans-74.2115.9174.9-79.2-179.1-94.3179.2-6.8107L5R3-L5 PolarHBondContact O-N 3.29Å
4P71.1Confident83.6Confident52 Ų52113.6 Ų113.634%0.33859%0.593SS.*  trans-62.8127.1177.925.6-32.7000109.3E2 L6 L67E2-P4 WeakPolarHBondContact O-CD 3.23Å; P4-L6 VanDerWaalsContact C-N 3.31Å; P4-L6 HydrophobicContact CB-CD2 4.33Å; P4-L6 HydrophobicContact CB-CG 4.34Å; P4-L6 PolarHBondContact O-N 3.13Å; P4-L67 HydrophobicContact CB-CD2 4.34Å; P4-L67 HydrophobicContact CG-CD1 3.73Å; P4-L67 HydrophobicContact CG-CD2 3.53Å; P4-L67 HydrophobicContact CG-CG 4.13Å
5L80.8Confident84.4Confident174 Ų174110.7 Ų110.791%0.91157%0.572SS**  trans-78.187.9170.3-63.1179.2000107.7R3R3-L5 PolarHBondContact O-N 3.29Å
6L88.7Confident85.1Confident47 Ų47107.1 Ų107.125%0.24656%0.56CS.*PPolyproline II helixtrans-83141.8172.9-63.2-176.3000110.3P4 K18 E19 L67P4-L6 VanDerWaalsContact C-N 3.31Å; P4-L6 HydrophobicContact CB-CD2 4.33Å; P4-L6 HydrophobicContact CB-CG 4.34Å; P4-L6 PolarHBondContact O-N 3.13Å; L6-K18 HydrophobicContact CD1-CB 4.26Å; L6-K18 HydrophobicContact CD2-CB 3.75Å; L6-K18 HydrophobicContact CD2-CD 4.29Å; L6-E19 HydrophobicContact CB-CG 4.2Å; L6-L67 HydrophobicContact CD1-CD2 3.82Å; L6-L67 HydrophobicContact CG-CD2 4.47Å
7S89.9Confident85.8Confident57 Ų57101.9 Ų101.940%0.39954%0.536SS..PPolyproline II helixtrans-70.7164.3170.962.10000111.3E19S7-E19 PolarHBondContact N-OE1 3.3Å; S7-E19 WeakPolarHBondContact O-CG 3.43Å; S7-E19 VanDerWaalsContact OG-CD 3.28Å; S7-E19 WeakPolarHBondContact OG-CG 3.35Å; S7-E19 PolarHBondContact OG-OE1 3.14Å
8P91.1Very high86.4Confident114 Ų114101.5 Ų101.574%0.7453%0.529SS*.PPolyproline II helixtrans-56.5150.7170.3-24.735.3000111.8S10P8-S10 PolarHBondContact O-N 3.08Å
9F92.4Very high86.8Confident131 Ų13197.6 Ų97.658%0.57551%0.508SS*.PPolyproline II helixtrans-58.1132.6174.6172.4-88.3000110.5P11F9-P11 HydrophobicContact CE1-CB 4.33Å; F9-P11 HydrophobicContact CZ-CB 4.49Å
10S93.1Very high87.3Confident39 Ų3994.9 Ų94.927%0.27349%0.49SS..  trans-135.3131.1169.7171.30000109.7P8 N12 L13 R20P8-S10 PolarHBondContact O-N 3.08Å; S10-N12 PolarHBondContact O-N 3.12Å; S10-N12 VanDerWaalsContact O-N 3.15Å; S10-N12 PolarHBondContact OG-N 2.99Å; S10-L13 PolarHBondContact O-N 3.14Å; S10-R20 VanDerWaalsContact O-CD 3.25Å; S10-R20 WeakPolarHBondContact O-CD 3.25Å
11P92.6Very high87.8Confident85 Ų8591.5 Ų91.555%0.55247%0.472SS*.THydrogen-bonded Turntrans-69.1-5.2177.231.4-36.5000113.5F9 R20F9-P11 HydrophobicContact CE1-CB 4.33Å; F9-P11 HydrophobicContact CZ-CB 4.49Å; P11-R20 PolarHBondContact O-NH1 3.48Å
12N94.5Very high89.8Confident148 Ų14882.4 Ų82.479%0.79143%0.429SS*.THydrogen-bonded Turntrans-91.7-11.6177.4-59.7-21.4000112.7S10S10-N12 PolarHBondContact O-N 3.12Å; S10-N12 VanDerWaalsContact O-N 3.15Å; S10-N12 PolarHBondContact OG-N 2.99Å
13L95.2Very high91.5Very high51 Ų5174.7 Ų74.727%0.26740%0.395SS..SBendtrans-72.5145.3175.1-69.3171.7000110.7S10 A17 E19 R20S10-L13 PolarHBondContact O-N 3.14Å; L13-A17 HydrophobicContact CB-CB 3.99Å; L13-E19 HydrophobicContact CD1-CB 3.78Å; L13-E19 HydrophobicContact CD1-CG 4.14Å; L13-R20 HydrophobicContact CB-CG 3.81Å; L13-R20 PolarHBondContact O-NH1 3.06Å
14P96.4Very high92.9Very high64 Ų6464.6 Ų64.642%0.41636%0.357SS..  trans-59.6151.2173.926.7-34.4000111S16 A17 R20 D95P14-S16 PolarHBondContact O-N 3.44Å; P14-A17 HydrophobicContact CG-CB 4.25Å; P14-A17 WeakPolarHBondContact O-CB 3.38Å; P14-A17 PolarHBondContact O-N 2.97Å; P14-R20 VanDerWaalsContact O-CG 3.29Å; P14-R20 WeakPolarHBondContact O-CG 3.41Å; P14-D95 VanDerWaalsContact CB-OD1 3.26Å; P14-D95 WeakPolarHBondContact CB-OD1 3.44Å
15Y96.5Very high94.2Very high71 Ų7163 Ų6328%0.27835%0.345SS..THydrogen-bonded Turntrans-62.1-25.5-179.1-76.2-78.4000113.1A17 R20 W21 K93 N94 D95Y15-A17 PolarHBondContact O-N 3.38Å; Y15-R20 PolarHBondContact OH-NH2 3.33Å; Y15-W21 VanDerWaalsContact O-CD1 3.31Å; Y15-W21 PolarHBondContact O-NE1 3.46Å; Y15-K93 VanDerWaalsContact CB-O 3.29Å; Y15-K93 WeakPolarHBondContact CB-O 3.14Å; Y15-K93 HydrophobicContact CD1-CB 3.79Å; Y15-K93 HydrophobicContact CD1-CD 3.8Å; Y15-K93 HydrophobicContact CD1-CG 4.4Å; Y15-K93 HydrophobicContact CD2-CB 4.43Å; Y15-K93 HydrophobicContact CE1-CB 4.33Å; Y15-K93 HydrophobicContact CE1-CD 3.48Å; Y15-K93 VanDerWaalsContact CE1-CD 3.48Å; Y15-K93 HydrophobicContact CG-CB 3.84Å; Y15-K93 HydrophobicContact CG-CD 4.43Å; Y15-N94 WeakPolarHBondContact CB-O 3.4Å; Y15-N94 WeakPolarHBondContact CD2-O 3.43Å; Y15-D95 WeakPolarHBondContact CA-OD1 3.35Å; Y15-D95 PolarHBondContact N-OD1 3.07Å
16S95.6Very high95Very high53 Ų5354.8 Ų54.837%0.37130%0.301SS..THydrogen-bonded Turntrans-63.8-24.9171.460.10000113.1P14 K18 W21 D95P14-S16 PolarHBondContact O-N 3.44Å; S16-K18 PolarHBondContact O-N 3.49Å; S16-W21 PolarHBondContact O-NE1 3.04Å; S16-W21 VanDerWaalsContact O-NE1 3.17Å; S16-D95 WeakPolarHBondContact CB-OD1 3.32Å; S16-D95 WeakPolarHBondContact CB-OD2 3.43Å; S16-D95 PolarHBondContact N-OD1 3.19Å; S16-D95 VanDerWaalsContact OG-CG 3.27Å; S16-D95 PolarHBondContact OG-OD1 3.33Å; S16-D95 VanDerWaalsContact OG-OD1 3.04Å; S16-D95 PolarHBondContact OG-OD2 2.97Å
17A96.2Very high95.4Very high19 Ų1952.5 Ų52.516%0.15729%0.29CS..SBendtrans-64.8129.7174.500000111.1L13 P14 Y15 E19 R20L13-A17 HydrophobicContact CB-CB 3.99Å; P14-A17 HydrophobicContact CG-CB 4.25Å; P14-A17 WeakPolarHBondContact O-CB 3.38Å; P14-A17 PolarHBondContact O-N 2.97Å; Y15-A17 PolarHBondContact O-N 3.38Å; A17-E19 PolarHBondContact O-N 2.64Å; A17-R20 HydrophobicContact CB-CG 4.46Å; A17-R20 WeakPolarHBondContact O-CB 3.23Å; A17-R20 PolarHBondContact O-N 2.98Å
18K96.1Very high95.8Very high94 Ų9451.2 Ų51.241%0.40928%0.276SS..G310 helixtrans-58.9-27-175.9-67.2177.4-178.3174.40113L6 S16 R20 W21 L67 R89L6-K18 HydrophobicContact CD1-CB 4.26Å; L6-K18 HydrophobicContact CD2-CB 3.75Å; L6-K18 HydrophobicContact CD2-CD 4.29Å; S16-K18 PolarHBondContact O-N 3.49Å; K18-R20 VanDerWaalsContact C-N 3.26Å; K18-R20 PolarHBondContact O-N 3.12Å; K18-W21 HydrophobicContact CB-CD2 4.42Å; K18-W21 HydrophobicContact CG-CD2 4.31Å; K18-W21 HydrophobicContact CG-CE3 4.41Å; K18-W21 HydrophobicContact CG-CH2 3.99Å; K18-W21 HydrophobicContact CG-CZ2 3.86Å; K18-W21 HydrophobicContact CG-CZ3 4.25Å; K18-W21 WeakPolarHBondContact O-CB 3.5Å; K18-W21 PolarHBondContact O-N 2.76Å; K18-L67 HydrophobicContact CD-CD2 4.26Å; K18-R89 WeakPolarHBondContact O-CD 3.35Å; K18-R89 PolarHBondContact O-NH1 2.92Å
19E95.4Very high96.1Very high27 Ų2745.8 Ų45.813%0.12624%0.241CC..G310 helixtrans-60.1-35.2173.7-7083.1174.900112.6L6 S7 L13 A17 R89L6-E19 HydrophobicContact CB-CG 4.2Å; S7-E19 PolarHBondContact N-OE1 3.3Å; S7-E19 WeakPolarHBondContact O-CG 3.43Å; S7-E19 VanDerWaalsContact OG-CD 3.28Å; S7-E19 WeakPolarHBondContact OG-CG 3.35Å; S7-E19 PolarHBondContact OG-OE1 3.14Å; L13-E19 HydrophobicContact CD1-CB 3.78Å; L13-E19 HydrophobicContact CD1-CG 4.14Å; A17-E19 PolarHBondContact O-N 2.64Å; E19-R89 PolarHBondContact O-NH1 2.96Å; E19-R89 VanDerWaalsContact O-NH1 3.11Å
20R95.7Very high96.4Very high43 Ų4339.7 Ų39.716%0.16222%0.215CC..G310 helixtrans-81-17.4-179.2-70.7-69.5-60.9-107.66.5114.2S10 P11 L13 P14 Y15 A17 K18S10-R20 VanDerWaalsContact O-CD 3.25Å; S10-R20 WeakPolarHBondContact O-CD 3.25Å; P11-R20 PolarHBondContact O-NH1 3.48Å; L13-R20 HydrophobicContact CB-CG 3.81Å; L13-R20 PolarHBondContact O-NH1 3.06Å; P14-R20 VanDerWaalsContact O-CG 3.29Å; P14-R20 WeakPolarHBondContact O-CG 3.41Å; Y15-R20 PolarHBondContact OH-NH2 3.33Å; A17-R20 HydrophobicContact CB-CG 4.46Å; A17-R20 WeakPolarHBondContact O-CB 3.23Å; A17-R20 PolarHBondContact O-N 2.98Å; K18-R20 VanDerWaalsContact C-N 3.26Å; K18-R20 PolarHBondContact O-N 3.12Å
21W97.5Very high96.5Very high25 Ų2540.7 Ų40.710%0.09522%0.217CC..SBendtrans-60.3145.2-178.1-68.510.6000111.8Y15 S16 K18 D65 L67 R89 V90 H91Y15-W21 VanDerWaalsContact O-CD1 3.31Å; Y15-W21 PolarHBondContact O-NE1 3.46Å; S16-W21 PolarHBondContact O-NE1 3.04Å; S16-W21 VanDerWaalsContact O-NE1 3.17Å; K18-W21 HydrophobicContact CB-CD2 4.42Å; K18-W21 HydrophobicContact CG-CD2 4.31Å; K18-W21 HydrophobicContact CG-CE3 4.41Å; K18-W21 HydrophobicContact CG-CH2 3.99Å; K18-W21 HydrophobicContact CG-CZ2 3.86Å; K18-W21 HydrophobicContact CG-CZ3 4.25Å; K18-W21 WeakPolarHBondContact O-CB 3.5Å; K18-W21 PolarHBondContact O-N 2.76Å; W21-D65 HydrophobicContact CH2-CB 3.78Å; W21-D65 HydrophobicContact CZ2-CB 4.29Å; W21-D65 HydrophobicContact CZ3-CB 4.31Å; W21-L67 HydrophobicContact CE3-CB 4.44Å; W21-L67 HydrophobicContact CZ3-CB 4.13Å; W21-R89 HydrophobicContact CB-CB 3.95Å; W21-R89 HydrophobicContact CE3-CB 4.07Å; W21-V90 WeakPolarHBondContact CB-O 3.36Å; W21-H91 AromaticContact CD1-CD2 3.7Å; W21-H91 HydrophobicContact CD2-CB 3.81Å; W21-H91 AromaticContact CE2-CD2 3.96Å; W21-H91 AromaticContact CE2-CG 3.78Å; W21-H91 HydrophobicContact CE3-CB 4.31Å; W21-H91 HydrophobicContact CG-CB 4.22Å; W21-H91 HydrophobicContact CH2-CB 4.28Å; W21-H91 HydrophobicContact CZ2-CB 3.79Å; W21-H91 AromaticContact NE1-CD2 3.29Å; W21-H91 PolarHBondContact NE1-CD2 3.45Å; W21-H91 VanDerWaalsContact NE1-CD2 3.29Å; W21-H91 AromaticContact NE1-CG 3.6Å
22V97.3Very high96.6Very high33 Ų3344 Ų4420%0.222%0.218CC..EExtended strand (participates in β ladder)trans-69.5143.3-178.5-58.10000110.2R89 V90 L92 R107 L110V22-R89 CarbonylContact O-C 3.57Å; V22-R89 VanDerWaalsContact O-CA 3.24Å; V22-R89 WeakPolarHBondContact O-CA 3.27Å; V22-V90 HydrophobicContact CG2-CB 4Å; V22-V90 WeakPolarHBondContact CG2-O 3.2Å; V22-V90 PolarHBondContact N-O 3.45Å; V22-V90 PolarHBondContact O-N 3.42Å; V22-L92 HydrophobicContact CB-CD1 4.43Å; V22-L92 HydrophobicContact CG1-CD1 4.08Å; V22-L92 HydrophobicContact CG2-CD1 3.5Å; V22-L92 VanDerWaalsContact CG2-CD1 3.5Å; V22-L92 HydrophobicContact CG2-CG 3.87Å; V22-R107 HydrophobicContact CB-CB 4.4Å; V22-R107 HydrophobicContact CB-CG 4.45Å; V22-R107 HydrophobicContact CG1-CB 4.3Å; V22-L110 HydrophobicContact CG2-CD2 4.28Å
23C97.4Very high96.7Very high29 Ų2938.6 Ų38.620%0.19619%0.187CC..EExtended strand (participates in β ladder)trans-95.5139.6179.4-620000111.3Y25 Y28 R87 V88C23-Y25 HydrophobicContact CB-CD2 4.43Å; C23-Y25 HydrophobicContact CB-CE2 4.24Å; C23-Y28 WeakPolarHBondContact O-CE2 3.44Å; C23-R87 HydrophobicContact CB-CG 4.13Å; C23-V88 CarbonylContact C-O 3.59Å
24V98.2Very high96.8Very high0 Ų039.3 Ų39.30%019%0.193CC..EExtended strand (participates in β ladder)trans-120.2121.3167.9-177.10000108L29 W86 R87 V88 V90 L110 L111 L114V24-L29 HydrophobicContact CG1-CD1 4.06Å; V24-W86 HydrophobicContact CG1-CH2 4.38Å; V24-W86 HydrophobicContact CG1-CZ3 4.18Å; V24-W86 WeakPolarHBondContact O-CZ3 3.22Å; V24-R87 WeakPolarHBondContact O-CA 3.48Å; V24-V88 HydrophobicContact CB-CB 4.43Å; V24-V88 PolarHBondContact N-O 3.27Å; V24-V88 PolarHBondContact O-N 3.08Å; V24-V90 HydrophobicContact CG2-CG2 4.33Å; V24-L110 HydrophobicContact CG2-CD2 4.29Å; V24-L111 HydrophobicContact CG1-CD2 3.91Å; V24-L111 HydrophobicContact CG2-CD2 4.08Å; V24-L114 HydrophobicContact CG1-CD1 4.29Å; V24-L114 HydrophobicContact CG2-CD1 4.44Å
25Y98.2Very high96.8Very high20 Ų2045.4 Ų45.48%0.07821%0.208CC..  trans-111.2155.7173-77.6-83.8000109.9C23 A27 Y28 K71 H73 W86 R87C23-Y25 HydrophobicContact CB-CD2 4.43Å; C23-Y25 HydrophobicContact CB-CE2 4.24Å; Y25-A27 PolarHBondContact O-N 3.22Å; Y25-Y28 HydrophobicContact CD2-CE1 4.24Å; Y25-Y28 AromaticContact CD2-CE2 3.89Å; Y25-Y28 HydrophobicContact CD2-CE2 3.89Å; Y25-Y28 AromaticContact CD2-CZ 3.62Å; Y25-Y28 WeakPolarHBondContact CD2-OH 3.37Å; Y25-Y28 WeakPolarHBondContact O-CB 3.33Å; Y25-Y28 PolarHBondContact O-N 2.59Å; Y25-K71 HydrophobicContact CE1-CB 4.41Å; Y25-H73 HydrophobicContact CD1-CB 3.63Å; Y25-H73 AromaticContact CD2-CD2 3.7Å; Y25-H73 HydrophobicContact CE1-CB 4.02Å; Y25-H73 HydrophobicContact CG-CB 3.86Å; Y25-H73 AromaticContact CG-CD2 3.81Å; Y25-W86 WeakPolarHBondContact CD1-O 3.45Å; Y25-R87 HydrophobicContact CD1-CB 4.08Å; Y25-R87 HydrophobicContact CD1-CG 4.44Å; Y25-R87 HydrophobicContact CD2-CG 4.45Å; Y25-R87 HydrophobicContact CE1-CB 3.78Å; Y25-R87 HydrophobicContact CE1-CG 4.13Å; Y25-R87 HydrophobicContact CE2-CG 4.13Å; Y25-R87 WeakPolarHBondContact OH-CD 3.41Å; Y25-R87 PolarHBondContact OH-NH1 3.36Å
26P97.4Very high96.8Very high0 Ų045.7 Ų45.70%023%0.225CC..Hα-helixtrans-55.8-41.9177.715.7-26000112.1Y28 L29 N30 P50 N84 W86P26-Y28 PolarHBondContact O-N 3.15Å; P26-L29 PolarHBondContact O-N 3.44Å; P26-L29 VanDerWaalsContact O-N 3.13Å; P26-N30 WeakPolarHBondContact O-CB 3.32Å; P26-N30 PolarHBondContact O-N 2.99Å; P26-N30 VanDerWaalsContact O-N 3.16Å; P26-P50 HydrophobicContact CB-CG 4.18Å; P26-P50 WeakPolarHBondContact O-CG 3.49Å; P26-N84 WeakPolarHBondContact CG-O 3.44Å; P26-W86 HydrophobicContact CB-CD2 4.48Å; P26-W86 HydrophobicContact CB-CH2 4.28Å; P26-W86 HydrophobicContact CB-CZ2 3.45Å; P26-W86 VanDerWaalsContact CB-CZ2 3.45Å; P26-W86 WeakPolarHBondContact CD-O 3.44Å; P26-W86 HydrophobicContact CG-CD2 4.19Å; P26-W86 HydrophobicContact CG-CG 4.47Å; P26-W86 HydrophobicContact CG-CZ2 4.04Å
27A97.3Very high96.8Very high0 Ų045.1 Ų45.10%022%0.216CC..Hα-helixtrans-56.9-24.8-179.700000113.8Y25 L29 G38 R39 H73Y25-A27 PolarHBondContact O-N 3.22Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 2.67Å; A27-G38 CarbonylContact O-C 3.48Å; A27-R39 WeakPolarHBondContact O-CA 3.43Å; A27-R39 PolarHBondContact O-N 2.94Å; A27-H73 HydrophobicContact CB-CB 4.5Å
28Y98.2Very high96.9Very high29 Ų2944.3 Ų44.311%0.11421%0.21CC..Hα-helixtrans-70-32.1-178.4-64-8.3000112.8C23 Y25 P26 G38 K40 H73 L111C23-Y28 WeakPolarHBondContact O-CE2 3.44Å; Y25-Y28 HydrophobicContact CD2-CE1 4.24Å; Y25-Y28 AromaticContact CD2-CE2 3.89Å; Y25-Y28 HydrophobicContact CD2-CE2 3.89Å; Y25-Y28 AromaticContact CD2-CZ 3.62Å; Y25-Y28 WeakPolarHBondContact CD2-OH 3.37Å; Y25-Y28 WeakPolarHBondContact O-CB 3.33Å; Y25-Y28 PolarHBondContact O-N 2.59Å; P26-Y28 PolarHBondContact O-N 3.15Å; Y28-G38 WeakPolarHBondContact CD1-O 3.43Å; Y28-K40 HydrophobicContact CD1-CD 4.41Å; Y28-K40 HydrophobicContact CD1-CG 3.58Å; Y28-K40 HydrophobicContact CD2-CG 4.25Å; Y28-K40 HydrophobicContact CE1-CG 4.12Å; Y28-K40 HydrophobicContact CG-CG 3.65Å; Y28-K40 PolarHBondContact O-N 3.27Å; Y28-K40 VanDerWaalsContact O-N 3.13Å; Y28-H73 AromaticContact CE1-CD2 3.58Å; Y28-H73 AromaticContact CE1-NE2 3.44Å; Y28-H73 WeakPolarHBondContact CE1-NE2 3.18Å; Y28-L111 HydrophobicContact CD2-CD1 4.4Å; Y28-L111 HydrophobicContact CD2-CD2 4.37Å
29L97.6Very high96.9Very high0 Ų041.8 Ų41.80%020%0.198CC..Hα-helixtrans-110-5.3-172-60.5173.4000112.9V24 P26 A27 L41 C46 V47 P50 V55 L111 L114 L118V24-L29 HydrophobicContact CG1-CD1 4.06Å; P26-L29 PolarHBondContact O-N 3.44Å; P26-L29 VanDerWaalsContact O-N 3.13Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 2.67Å; L29-L41 HydrophobicContact CD2-CD1 3.72Å; L29-C46 CarbonylContact O-C 3.48Å; L29-C46 WeakPolarHBondContact O-CA 3.18Å; L29-C46 VanDerWaalsContact O-CB 3.22Å; L29-C46 WeakPolarHBondContact O-CB 3.48Å; L29-V47 PolarHBondContact O-N 3.43Å; L29-P50 HydrophobicContact CB-CB 4.35Å; L29-P50 HydrophobicContact CB-CG 4.18Å; L29-V55 HydrophobicContact CD1-CG2 4.47Å; L29-L111 HydrophobicContact CD2-CB 4.15Å; L29-L111 HydrophobicContact CD2-CD2 3.79Å; L29-L111 WeakPolarHBondContact CD2-O 3.39Å; L29-L111 HydrophobicContact CG-CD2 4.16Å; L29-L114 HydrophobicContact CD1-CB 4.02Å; L29-L114 HydrophobicContact CD1-CD1 4.19Å; L29-L114 HydrophobicContact CD2-CB 4.38Å; L29-L118 HydrophobicContact CD1-CD1 4.08Å
30N96.9Very high97Very high4 Ų445.3 Ų45.32%0.02121%0.213CC..BIsolated β-bridgetrans-84120.9-174.4-166.5-26.3000111.6P26 R32 R33 V47 P50P26-N30 WeakPolarHBondContact O-CB 3.32Å; P26-N30 PolarHBondContact O-N 2.99Å; P26-N30 VanDerWaalsContact O-N 3.16Å; N30-R32 VanDerWaalsContact C-N 3.28Å; N30-R32 PolarHBondContact O-N 2.88Å; N30-R32 VanDerWaalsContact OD1-CB 3.32Å; N30-R32 WeakPolarHBondContact OD1-CB 3.22Å; N30-R32 PolarHBondContact OD1-N 3.4Å; N30-R33 HydrophobicContact CB-CG 4.03Å; N30-R33 PolarHBondContact O-N 3.44Å; N30-V47 CarbonylContact C-O 3.56Å; N30-V47 WeakPolarHBondContact CA-O 3.48Å; N30-P50 HydrophobicContact CB-CG 4.1Å
31N96.7Very high97.1Very high59 Ų5943.6 Ų43.632%0.31621%0.207SC..THydrogen-bonded Turntrans-71.3-19.8179.466.65.2000113.3R33 V43 C46 V47 D48N31-R33 PolarHBondContact O-N 3.06Å; N31-V43 HydrophobicContact CB-CG1 4.2Å; N31-C46 HydrophobicContact CB-CB 3.61Å; N31-V47 PolarHBondContact N-O 3.21Å; N31-V47 PolarHBondContact OD1-O 3.15Å; N31-D48 WeakPolarHBondContact OD1-CA 3.37Å
32R95Very high97Very high155 Ų15544.7 Ų44.759%0.58522%0.218SC*.THydrogen-bonded Turntrans-73.8-12.8173.6-57.7-170-177.7-175.77.1113.3N30 D48 N49N30-R32 VanDerWaalsContact C-N 3.28Å; N30-R32 PolarHBondContact O-N 2.88Å; N30-R32 VanDerWaalsContact OD1-CB 3.32Å; N30-R32 WeakPolarHBondContact OD1-CB 3.22Å; N30-R32 PolarHBondContact OD1-N 3.4Å; R32-D48 WeakPolarHBondContact CD-OD1 3.44Å; R32-D48 IonicContact CZ-OD1 3.99Å; R32-D48 IonicContact CZ-OD2 2.64Å; R32-D48 IonicContact NE-OD1 3.83Å; R32-D48 PolarHBondContact NE-OD1 3.26Å; R32-D48 IonicContact NE-OD2 3.3Å; R32-D48 VanDerWaalsContact NH2-CG 3.29Å; R32-D48 IonicContact NH2-OD1 2.96Å; R32-D48 PolarHBondContact NH2-OD1 3.22Å; R32-D48 IonicContact NH2-OD2 3.71Å; R32-D48 PolarHBondContact NH2-OD2 2.91Å; R32-N49 VanDerWaalsContact CZ-ND2 3.33Å; R32-N49 PolarHBondContact NH1-ND2 3.02Å; R32-N49 PolarHBondContact NH2-ND2 3.41Å
33R95.3Very high97Very high35 Ų3546.8 Ų46.813%0.13223%0.231CC..SBendtrans-98142.4-179.9-61.5-63.6-170.7-157.6-3.8110.6N30 N31 Q37 R39 E76 D78N30-R33 HydrophobicContact CB-CG 4.03Å; N30-R33 PolarHBondContact O-N 3.44Å; N31-R33 PolarHBondContact O-N 3.06Å; R33-Q37 HydrophobicContact CB-CB 4.21Å; R33-R39 HydrophobicContact CB-CB 4.45Å; R33-R39 WeakPolarHBondContact O-CD 3.43Å; R33-R39 PolarHBondContact O-NH1 3.27Å; R33-E76 IonicContact CZ-OE1 3.82Å; R33-E76 IonicContact CZ-OE2 3.13Å; R33-E76 IonicContact NE-OE1 3.81Å; R33-E76 IonicContact NE-OE2 3.66Å; R33-E76 VanDerWaalsContact NH2-CD 3.33Å; R33-E76 IonicContact NH2-OE1 2.94Å; R33-E76 PolarHBondContact NH2-OE1 3.43Å; R33-E76 IonicContact NH2-OE2 3.41Å; R33-E76 PolarHBondContact NH2-OE2 2.88Å; R33-D78 IonicContact CZ-OD2 3.85Å; R33-D78 IonicContact NH1-OD2 3.18Å; R33-D78 IonicContact NH2-OD2 3.27Å; R33-D78 PolarHBondContact NH2-OD2 3.32Å
34T97.1Very high96.9Very high66 Ų6652.8 Ų52.841%0.40526%0.256SS..  trans-80167.5170.370.50000111.5A36 Q37 G38 R39T34-A36 PolarHBondContact O-N 2.97Å; T34-A36 PolarHBondContact OG1-N 2.69Å; T34-Q37 CarbonylContact O-C 3.59Å; T34-Q37 PolarHBondContact O-N 3.3Å; T34-Q37 VanDerWaalsContact O-N 3.11Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.33Å; T34-Q37 PolarHBondContact OG1-N 2.88Å; T34-G38 PolarHBondContact O-N 3.09Å; T34-R39 WeakPolarHBondContact O-CB 3.34Å; T34-R39 PolarHBondContact O-N 3.49Å; T34-R39 VanDerWaalsContact O-N 3.09Å
35R96.6Very high96.8Very high192 Ų19255.4 Ų55.473%0.72527%0.268SS*.THydrogen-bonded Turntrans-58.5-39.2172.3-67.2-176.777.4173.93111.6Q37 G38R35-Q37 VanDerWaalsContact C-N 3.27Å; R35-Q37 PolarHBondContact O-N 3.13Å; R35-G38 PolarHBondContact O-N 2.79Å; R35-G38 VanDerWaalsContact O-N 3.14Å
36A96.8Very high96.7Very high76 Ų7655 Ų5563%0.62827%0.268SS*.THydrogen-bonded Turntrans-61.9-36.6176.600000112T34 G38 K75T34-A36 PolarHBondContact O-N 2.97Å; T34-A36 PolarHBondContact OG1-N 2.69Å; A36-G38 VanDerWaalsContact C-N 3.3Å; A36-G38 PolarHBondContact O-N 3.17Å; A36-K75 VanDerWaalsContact O-CD 3.25Å; A36-K75 WeakPolarHBondContact O-CD 3.09Å; A36-K75 PolarHBondContact O-NZ 3.21Å
37Q96.4Very high96.6Very high41 Ų4155.4 Ų55.419%0.19227%0.27CS..THydrogen-bonded Turntrans-80.3-2.1177.4-68.3169.1-20.400114.3R33 T34 R35R33-Q37 HydrophobicContact CB-CB 4.21Å; T34-Q37 CarbonylContact O-C 3.59Å; T34-Q37 PolarHBondContact O-N 3.3Å; T34-Q37 VanDerWaalsContact O-N 3.11Å; T34-Q37 WeakPolarHBondContact OG1-CG 3.33Å; T34-Q37 PolarHBondContact OG1-N 2.88Å; R35-Q37 VanDerWaalsContact C-N 3.27Å; R35-Q37 PolarHBondContact O-N 3.13Å
38G96.9Very high96.5Very high2 Ų258 Ų582%0.02128%0.284CS..THydrogen-bonded Turntrans120.1-7.5171.800000115.8A27 Y28 T34 R35 A36 K40A27-G38 CarbonylContact O-C 3.48Å; Y28-G38 WeakPolarHBondContact CD1-O 3.43Å; T34-G38 PolarHBondContact O-N 3.09Å; R35-G38 PolarHBondContact O-N 2.79Å; R35-G38 VanDerWaalsContact O-N 3.14Å; A36-G38 VanDerWaalsContact C-N 3.3Å; A36-G38 PolarHBondContact O-N 3.17Å; G38-K40 PolarHBondContact O-N 3.21Å
39R97.6Very high96.3Very high41 Ų4159.4 Ų59.416%0.15529%0.294CS..  trans-55.9132.7176-168.2-174.769.5-140.210.1110.9A27 R33 T34 L41 V43 C46A27-R39 WeakPolarHBondContact O-CA 3.43Å; A27-R39 PolarHBondContact O-N 2.94Å; R33-R39 HydrophobicContact CB-CB 4.45Å; R33-R39 WeakPolarHBondContact O-CD 3.43Å; R33-R39 PolarHBondContact O-NH1 3.27Å; T34-R39 WeakPolarHBondContact O-CB 3.34Å; T34-R39 PolarHBondContact O-N 3.49Å; T34-R39 VanDerWaalsContact O-N 3.09Å; R39-L41 WeakPolarHBondContact CD-O 3.49Å; R39-L41 PolarHBondContact NE-O 3.18Å; R39-V43 VanDerWaalsContact CZ-CG2 3.42Å; R39-C46 VanDerWaalsContact CD-SG 3.58Å
40K97.4Very high96.2Very high101 Ų10159.7 Ų59.744%0.43930%0.296SS..  trans-104.7-23-177.5-64-61.6-176.81770113.8Y28 G38 L111Y28-K40 HydrophobicContact CD1-CD 4.41Å; Y28-K40 HydrophobicContact CD1-CG 3.58Å; Y28-K40 HydrophobicContact CD2-CG 4.25Å; Y28-K40 HydrophobicContact CE1-CG 4.12Å; Y28-K40 HydrophobicContact CG-CG 3.65Å; Y28-K40 PolarHBondContact O-N 3.27Å; Y28-K40 VanDerWaalsContact O-N 3.13Å; G38-K40 PolarHBondContact O-N 3.21Å; K40-L111 HydrophobicContact CB-CD1 4.05Å; K40-L111 HydrophobicContact CG-CD1 4.45Å
41L96.8Very high96.2Very high8 Ų864.1 Ų64.14%0.04232%0.315CS..SBendtrans-105170-179.2-53176.8000112.2L29 R39 H45 Q108 L111L29-L41 HydrophobicContact CD2-CD1 3.72Å; R39-L41 WeakPolarHBondContact CD-O 3.49Å; R39-L41 PolarHBondContact NE-O 3.18Å; L41-H45 HydrophobicContact CB-CB 4.2Å; L41-H45 HydrophobicContact CD1-CB 4.18Å; L41-H45 WeakPolarHBondContact CD1-O 3.44Å; L41-Q108 VanDerWaalsContact CD2-NE2 3.3Å; L41-L111 HydrophobicContact CD1-CB 4.1Å; L41-L111 WeakPolarHBondContact CD1-O 3.36Å; L41-L111 HydrophobicContact CD2-CB 3.92Å; L41-L111 HydrophobicContact CG-CB 4.27Å
42S96.6Very high96.1Very high48 Ų4865 Ų6534%0.33632%0.317SS..  trans-64154.4162.854.70000110E44 H45 C46S42-E44 WeakPolarHBondContact CB-OE1 3.33Å; S42-E44 PolarHBondContact O-N 2.99Å; S42-E44 WeakPolarHBondContact OG-CG 3.38Å; S42-E44 PolarHBondContact OG-OE1 3.25Å; S42-H45 PolarHBondContact O-N 3.46Å; S42-H45 VanDerWaalsContact O-N 3.14Å; S42-H45 PolarHBondContact OG-ND1 3.39Å; S42-C46 PolarHBondContact O-N 3.49Å; S42-C46 PolarHBondContact O-SG 3.09Å
43V96.5Very high96.1Very high76 Ų7659.5 Ų59.546%0.46130%0.302SS..G310 helixtrans-60.9-37-174.5178.70000111.3N31 R39 H45 C46N31-V43 HydrophobicContact CB-CG1 4.2Å; R39-V43 VanDerWaalsContact CZ-CG2 3.42Å; V43-H45 PolarHBondContact O-N 3.11Å; V43-C46 WeakPolarHBondContact O-CB 3.15Å; V43-C46 PolarHBondContact O-N 3.36Å
44E95.4Very high96.1Very high155 Ų15558 Ų5872%0.72430%0.297SS*.G310 helixtrans-61.5-25178.475.7-152.3150.200114S42S42-E44 WeakPolarHBondContact CB-OE1 3.33Å; S42-E44 PolarHBondContact O-N 2.99Å; S42-E44 WeakPolarHBondContact OG-CG 3.38Å; S42-E44 PolarHBondContact OG-OE1 3.25Å
45H95.4Very high96.2Very high55 Ų5554.9 Ų54.926%0.25528%0.277SS..G310 helixtrans-1017178-63.7126.8000112.3L41 S42 V43 G115L41-H45 HydrophobicContact CB-CB 4.2Å; L41-H45 HydrophobicContact CD1-CB 4.18Å; L41-H45 WeakPolarHBondContact CD1-O 3.44Å; S42-H45 PolarHBondContact O-N 3.46Å; S42-H45 VanDerWaalsContact O-N 3.14Å; S42-H45 PolarHBondContact OG-ND1 3.39Å; V43-H45 PolarHBondContact O-N 3.11Å; H45-G115 WeakPolarHBondContact O-CA 3.41Å
46C96.8Very high96.2Very high12 Ų1246.7 Ų46.78%0.08125%0.249CC..  trans-102.5162.1176.7-69.10000110.5L29 N31 R39 S42 V43L29-C46 CarbonylContact O-C 3.48Å; L29-C46 WeakPolarHBondContact O-CA 3.18Å; L29-C46 VanDerWaalsContact O-CB 3.22Å; L29-C46 WeakPolarHBondContact O-CB 3.48Å; N31-C46 HydrophobicContact CB-CB 3.61Å; R39-C46 VanDerWaalsContact CD-SG 3.58Å; S42-C46 PolarHBondContact O-N 3.49Å; S42-C46 PolarHBondContact O-SG 3.09Å; V43-C46 WeakPolarHBondContact O-CB 3.15Å; V43-C46 PolarHBondContact O-N 3.36Å
47V96.4Very high96.1Very high8 Ų846.6 Ų46.65%0.04824%0.236CC..BIsolated β-bridgetrans-121.1160.8177.8-60.40000111.2L29 N30 N31 P50 G115 L118 P119L29-V47 PolarHBondContact O-N 3.43Å; N30-V47 CarbonylContact C-O 3.56Å; N30-V47 WeakPolarHBondContact CA-O 3.48Å; N31-V47 PolarHBondContact N-O 3.21Å; N31-V47 PolarHBondContact OD1-O 3.15Å; V47-P50 HydrophobicContact CG2-CB 3.79Å; V47-P50 HydrophobicContact CG2-CG 4.38Å; V47-G115 WeakPolarHBondContact CG1-O 3.48Å; V47-L118 HydrophobicContact CG1-CB 3.81Å; V47-L118 HydrophobicContact CG1-CD1 4.42Å; V47-L118 HydrophobicContact CG2-CB 4.24Å; V47-L118 HydrophobicContact CG2-CD1 3.66Å; V47-P119 HydrophobicContact CG1-CG 3.7Å
48D94.9Very high96.1Very high55 Ų5544.9 Ų44.929%0.29423%0.228SC..SBendtrans-74.1130.8171.9-172.927.6000111.1N31 R32 R122N31-D48 WeakPolarHBondContact OD1-CA 3.37Å; R32-D48 WeakPolarHBondContact CD-OD1 3.44Å; R32-D48 IonicContact CZ-OD1 3.99Å; R32-D48 IonicContact CZ-OD2 2.64Å; R32-D48 IonicContact NE-OD1 3.83Å; R32-D48 PolarHBondContact NE-OD1 3.26Å; R32-D48 IonicContact NE-OD2 3.3Å; R32-D48 VanDerWaalsContact NH2-CG 3.29Å; R32-D48 IonicContact NH2-OD1 2.96Å; R32-D48 PolarHBondContact NH2-OD1 3.22Å; R32-D48 IonicContact NH2-OD2 3.71Å; R32-D48 PolarHBondContact NH2-OD2 2.91Å; D48-R122 VanDerWaalsContact O-CZ 3.24Å; D48-R122 PolarHBondContact O-NH1 3.34Å; D48-R122 PolarHBondContact O-NH2 2.79Å
49N93.2Very high96.2Very high59 Ų5944.8 Ų44.832%0.31623%0.227SC..SBendtrans4164.7172.2-68.5-24.4000114.9R32 K51 R122R32-N49 VanDerWaalsContact CZ-ND2 3.33Å; R32-N49 PolarHBondContact NH1-ND2 3.02Å; R32-N49 PolarHBondContact NH2-ND2 3.41Å; N49-K51 PolarHBondContact O-N 2.91Å; N49-R122 PolarHBondContact O-NH2 2.85Å
50P96.1Very high96.1Very high5 Ų544.8 Ų44.83%0.03224%0.24CC..  trans-60.3135.2-178.625.2-34000111.9P26 L29 N30 V47 W86 L118P26-P50 HydrophobicContact CB-CG 4.18Å; P26-P50 WeakPolarHBondContact O-CG 3.49Å; L29-P50 HydrophobicContact CB-CB 4.35Å; L29-P50 HydrophobicContact CB-CG 4.18Å; N30-P50 HydrophobicContact CB-CG 4.1Å; V47-P50 HydrophobicContact CG2-CB 3.79Å; V47-P50 HydrophobicContact CG2-CG 4.38Å; P50-W86 HydrophobicContact CB-CZ2 4.37Å; P50-L118 HydrophobicContact CB-CD1 4.27Å
51K95.6Very high96Very high98 Ų9846 Ų4643%0.42625%0.246SC..  trans-105.4139.1179.4-58.7-179.6179-178.10111N49 S53 E54 V55N49-K51 PolarHBondContact O-N 2.91Å; K51-S53 PolarHBondContact O-N 3.16Å; K51-E54 HydrophobicContact CB-CG 4.04Å; K51-E54 PolarHBondContact N-OE2 2.92Å; K51-E54 PolarHBondContact O-N 3.48Å; K51-V55 PolarHBondContact O-N 2.63Å
52H95.7Very high96Very high77 Ų7747 Ų4736%0.35625%0.251SS..Hα-helixtrans-55.5-37.5176.966.479.6000112.2E54 V55 T56 L68 W86H52-E54 PolarHBondContact O-N 3.25Å; H52-V55 PolarHBondContact O-N 3.25Å; H52-T56 WeakPolarHBondContact O-CG2 3.31Å; H52-T56 PolarHBondContact O-N 2.82Å; H52-T56 PolarHBondContact O-OG1 3.06Å; H52-T56 VanDerWaalsContact O-OG1 3.1Å; H52-L68 HydrophobicContact CB-CD1 3.89Å; H52-W86 HydrophobicContact CB-CB 4.04Å; H52-W86 HydrophobicContact CB-CD2 3.67Å; H52-W86 HydrophobicContact CB-CE3 4.06Å; H52-W86 HydrophobicContact CB-CG 3.69Å
53S95.2Very high95.9Very high40 Ų4049.9 Ų49.928%0.2827%0.271SS..Hα-helixtrans-60.3-34.7179.966.20000113K51 T56 M57 R125K51-S53 PolarHBondContact O-N 3.16Å; S53-T56 PolarHBondContact O-OG1 3.22Å; S53-M57 VanDerWaalsContact O-CB 3.3Å; S53-M57 WeakPolarHBondContact O-CB 3.36Å; S53-M57 PolarHBondContact O-N 2.85Å; S53-M57 VanDerWaalsContact O-N 3.16Å; S53-R125 PolarHBondContact OG-NH2 2.89Å
54E95.7Very high96Very high3 Ų346.5 Ų46.51%0.01425%0.25CS..Hα-helixtrans-76.4-41.9-178.9-59.4168.5155.700109.5K51 H52 M57 I58 L118 V121 R122 R125K51-E54 HydrophobicContact CB-CG 4.04Å; K51-E54 PolarHBondContact N-OE2 2.92Å; K51-E54 PolarHBondContact O-N 3.48Å; H52-E54 PolarHBondContact O-N 3.25Å; E54-M57 PolarHBondContact O-N 3.1Å; E54-I58 WeakPolarHBondContact O-CD1 3.49Å; E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.3Å; E54-I58 PolarHBondContact O-N 3.13Å; E54-I58 VanDerWaalsContact O-N 3.08Å; E54-L118 HydrophobicContact CB-CD2 3.31Å; E54-L118 HydrophobicContact CG-CD2 4.44Å; E54-V121 HydrophobicContact CB-CG1 4.1Å; E54-V121 HydrophobicContact CG-CG1 4.16Å; E54-R122 VanDerWaalsContact OE1-CG 3.23Å; E54-R122 WeakPolarHBondContact OE1-CG 3.49Å; E54-R122 IonicContact OE1-CZ 3.06Å; E54-R122 IonicContact OE1-NE 2.59Å; E54-R122 PolarHBondContact OE1-NE 3.04Å; E54-R122 IonicContact OE1-NH2 2.76Å; E54-R122 IonicContact OE2-CZ 2.91Å; E54-R122 IonicContact OE2-NE 2.63Å; E54-R122 PolarHBondContact OE2-NE 2.84Å; E54-R122 VanDerWaalsContact OE2-NE 3.13Å; E54-R122 IonicContact OE2-NH2 2.85Å; E54-R122 PolarHBondContact OE2-NH2 3.06Å; E54-R125 IonicContact OE1-NH1 3.97Å; E54-R125 PolarHBondContact OE1-NH1 3.04Å
55V97.5Very high96.1Very high0 Ų043.6 Ų43.60%024%0.24CC..Hα-helixtrans-60.7-51.7174.8176.10000110.9L29 K51 H52 M57 I58 L59 W86 V88 L114 L118L29-V55 HydrophobicContact CD1-CG2 4.47Å; K51-V55 PolarHBondContact O-N 2.63Å; H52-V55 PolarHBondContact O-N 3.25Å; V55-M57 VanDerWaalsContact C-N 3.3Å; V55-M57 PolarHBondContact O-N 2.93Å; V55-I58 PolarHBondContact O-N 3.18Å; V55-I58 VanDerWaalsContact O-N 3.15Å; V55-L59 HydrophobicContact CG1-CD1 3.93Å; V55-L59 HydrophobicContact CG1-CG 4.37Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 2.9Å; V55-W86 HydrophobicContact CG2-CH2 3.94Å; V55-V88 HydrophobicContact CG1-CG2 4.32Å; V55-L114 HydrophobicContact CG1-CD1 4.13Å; V55-L114 HydrophobicContact CG1-CD2 4.2Å; V55-L118 HydrophobicContact CG2-CD1 4.39Å; V55-L118 HydrophobicContact CG2-CD2 4.22Å
56T96.9Very high96.2Very high20 Ų2045.5 Ų45.512%0.12325%0.245CC..Hα-helixtrans-64.2-34.4-179.156.30000112.2H52 S53 L59 G60 Y66 V88H52-T56 WeakPolarHBondContact O-CG2 3.31Å; H52-T56 PolarHBondContact O-N 2.82Å; H52-T56 PolarHBondContact O-OG1 3.06Å; H52-T56 VanDerWaalsContact O-OG1 3.1Å; S53-T56 PolarHBondContact O-OG1 3.22Å; T56-L59 PolarHBondContact O-N 3.04Å; T56-G60 PolarHBondContact O-N 3.39Å; T56-Y66 HydrophobicContact CG2-CD2 3.89Å; T56-Y66 HydrophobicContact CG2-CE2 3.49Å; T56-Y66 VanDerWaalsContact CG2-CE2 3.49Å; T56-V88 HydrophobicContact CG2-CG2 4.19Å
57M95.7Very high96.2Very high74 Ų7446.3 Ų46.337%0.36525%0.249SC..Hα-helixtrans-65.5-40.3174.4-171.7-175.969.900112S53 E54 V55 K61 V121S53-M57 VanDerWaalsContact O-CB 3.3Å; S53-M57 WeakPolarHBondContact O-CB 3.36Å; S53-M57 PolarHBondContact O-N 2.85Å; S53-M57 VanDerWaalsContact O-N 3.16Å; E54-M57 PolarHBondContact O-N 3.1Å; V55-M57 VanDerWaalsContact C-N 3.3Å; V55-M57 PolarHBondContact O-N 2.93Å; M57-K61 WeakPolarHBondContact O-CG 3.35Å; M57-K61 PolarHBondContact O-N 3.22Å; M57-K61 VanDerWaalsContact O-N 3.17Å; M57-V121 HydrophobicContact CE-CB 3.81Å; M57-V121 HydrophobicContact CE-CG1 3.17Å; M57-V121 HydrophobicContact CE-CG2 3.35Å
58I97Very high96.2Very high5 Ų548.5 Ų48.53%0.02626%0.26CS..Hα-helixtrans-65.6-46.2175.7-66.1161.8000110.2E54 V55 G60 K61 L62 Y113 L114 A117 L118 V121E54-I58 WeakPolarHBondContact O-CD1 3.49Å; E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.3Å; E54-I58 PolarHBondContact O-N 3.13Å; E54-I58 VanDerWaalsContact O-N 3.08Å; V55-I58 PolarHBondContact O-N 3.18Å; V55-I58 VanDerWaalsContact O-N 3.15Å; I58-G60 VanDerWaalsContact C-N 3.33Å; I58-G60 PolarHBondContact O-N 3.21Å; I58-K61 WeakPolarHBondContact O-CB 3.15Å; I58-K61 PolarHBondContact O-N 3.26Å; I58-K61 VanDerWaalsContact O-N 3.14Å; I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.35Å; I58-L62 PolarHBondContact O-N 3.24Å; I58-L62 VanDerWaalsContact O-N 3.15Å; I58-Y113 HydrophobicContact CG2-CD1 4.21Å; I58-Y113 HydrophobicContact CG2-CE1 3.65Å; I58-L114 HydrophobicContact CB-CD2 4.09Å; I58-L114 HydrophobicContact CD1-CD2 4.28Å; I58-L114 HydrophobicContact CG2-CD2 3.84Å; I58-A117 HydrophobicContact CD1-CB 3.79Å; I58-A117 HydrophobicContact CG1-CB 4.32Å; I58-A117 HydrophobicContact CG2-CB 4.24Å; I58-L118 HydrophobicContact CD1-CD2 3.73Å; I58-L118 HydrophobicContact CD1-CG 3.86Å; I58-V121 HydrophobicContact CD1-CG2 4.01Å; I58-V121 HydrophobicContact CG1-CG2 3.7Å
59L97.6Very high96.2Very high0 Ų046.8 Ų46.80%025%0.25CS..Hα-helixtrans-60.6-41.6178.5-65.6173.6000112.3V55 T56 K61 L62 S63 L64 Y66 V88 V90 L110V55-L59 HydrophobicContact CG1-CD1 3.93Å; V55-L59 HydrophobicContact CG1-CG 4.37Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 2.9Å; T56-L59 PolarHBondContact O-N 3.04Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.15Å; L59-L62 CarbonylContact O-C 3.36Å; L59-L62 PolarHBondContact O-N 3.13Å; L59-L62 VanDerWaalsContact O-N 3.1Å; L59-S63 PolarHBondContact O-N 3.23Å; L59-L64 HydrophobicContact CD2-CD1 4.07Å; L59-L64 PolarHBondContact O-N 3.16Å; L59-Y66 HydrophobicContact CB-CD1 3.82Å; L59-Y66 HydrophobicContact CB-CE1 4.28Å; L59-Y66 HydrophobicContact CB-CG 4.44Å; L59-Y66 HydrophobicContact CD1-CD1 4.32Å; L59-Y66 HydrophobicContact CD1-CG 4.11Å; L59-V88 HydrophobicContact CD1-CG1 3.61Å; L59-V90 HydrophobicContact CD1-CG2 3.69Å; L59-V90 HydrophobicContact CD2-CG1 4.16Å; L59-V90 HydrophobicContact CD2-CG2 4.21Å; L59-L110 HydrophobicContact CD2-CD1 3.88Å
60G96.3Very high96.3Very high42 Ų4248.4 Ų48.443%0.43326%0.262SS..Hα-helixtrans-62-36.7174.800000113.1T56 I58 L62 S63T56-G60 PolarHBondContact O-N 3.39Å; I58-G60 VanDerWaalsContact C-N 3.33Å; I58-G60 PolarHBondContact O-N 3.21Å; G60-L62 VanDerWaalsContact C-N 3.26Å; G60-L62 PolarHBondContact O-N 3.19Å; G60-S63 PolarHBondContact O-N 3.43Å
61K95.6Very high96.3Very high127 Ų12753.2 Ų53.255%0.55228%0.283SS*.Hα-helixtrans-68.5-25174.2-73.2-178.7179.9-170.30113.6M57 I58 L59 S63M57-K61 WeakPolarHBondContact O-CG 3.35Å; M57-K61 PolarHBondContact O-N 3.22Å; M57-K61 VanDerWaalsContact O-N 3.17Å; I58-K61 WeakPolarHBondContact O-CB 3.15Å; I58-K61 PolarHBondContact O-N 3.26Å; I58-K61 VanDerWaalsContact O-N 3.14Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.15Å; K61-S63 VanDerWaalsContact C-N 3.32Å
62L95.9Very high96.3Very high28 Ų2850.6 Ų50.615%0.14728%0.275CS..THydrogen-bonded Turntrans-89.4-0.3176.9-63.2172.9000112.7I58 L59 G60 L64 F104 Y113I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.35Å; I58-L62 PolarHBondContact O-N 3.24Å; I58-L62 VanDerWaalsContact O-N 3.15Å; L59-L62 CarbonylContact O-C 3.36Å; L59-L62 PolarHBondContact O-N 3.13Å; L59-L62 VanDerWaalsContact O-N 3.1Å; G60-L62 VanDerWaalsContact C-N 3.26Å; G60-L62 PolarHBondContact O-N 3.19Å; L62-L64 HydrophobicContact CB-CD1 4.18Å; L62-L64 HydrophobicContact CB-CG 4.06Å; L62-L64 HydrophobicContact CD1-CD1 4.18Å; L62-L64 PolarHBondContact O-N 3.44Å; L62-F104 HydrophobicContact CD1-CD2 4.49Å; L62-F104 HydrophobicContact CD1-CE2 3.62Å; L62-F104 HydrophobicContact CD1-CZ 3.72Å; L62-F104 HydrophobicContact CD2-CE2 3.95Å; L62-F104 HydrophobicContact CD2-CZ 4.1Å; L62-F104 HydrophobicContact CG-CE2 4.24Å; L62-Y113 HydrophobicContact CD1-CD1 4.03Å; L62-Y113 HydrophobicContact CD1-CE1 3.7Å; L62-Y113 HydrophobicContact CD2-CE1 4.18Å; L62-Y113 HydrophobicContact CG-CE1 4.33Å
63S95.8Very high96.4Very high108 Ų10847.8 Ų47.876%0.75526%0.262SS*.THydrogen-bonded Turntrans53.434.2-173.8-550000113.4L59 G60 K61L59-S63 PolarHBondContact O-N 3.23Å; G60-S63 PolarHBondContact O-N 3.43Å; K61-S63 VanDerWaalsContact C-N 3.32Å
64L97.2Very high96.4Very high6 Ų651.5 Ų51.53%0.03129%0.285CS..  trans-91.7132.6174.7-69.9175.5000110.4L59 L62 Y66 V90 L92 V100 N101 F104 L110L59-L64 HydrophobicContact CD2-CD1 4.07Å; L59-L64 PolarHBondContact O-N 3.16Å; L62-L64 HydrophobicContact CB-CD1 4.18Å; L62-L64 HydrophobicContact CB-CG 4.06Å; L62-L64 HydrophobicContact CD1-CD1 4.18Å; L62-L64 PolarHBondContact O-N 3.44Å; L64-Y66 WeakPolarHBondContact O-CD1 3.41Å; L64-V90 HydrophobicContact CB-CG1 4.27Å; L64-V90 HydrophobicContact CD1-CG1 4.31Å; L64-L92 HydrophobicContact CD1-CD2 4.34Å; L64-L92 HydrophobicContact CD2-CD2 4.5Å; L64-V100 HydrophobicContact CD2-CG1 4.45Å; L64-N101 HydrophobicContact CD2-CB 4.01Å; L64-F104 HydrophobicContact CD1-CD2 3.91Å; L64-F104 HydrophobicContact CD1-CE2 4.41Å; L64-L110 HydrophobicContact CD1-CD1 4.07Å
65D97.5Very high96.4Very high93 Ų9357 Ų5750%0.49731%0.309SS..  trans-67.3136174.3-62.4-47.3000111.3W21 V90 H91W21-D65 HydrophobicContact CH2-CB 3.78Å; W21-D65 HydrophobicContact CZ2-CB 4.29Å; W21-D65 HydrophobicContact CZ3-CB 4.31Å; D65-V90 WeakPolarHBondContact O-CA 3.33Å; D65-H91 HydrophobicContact CB-CB 3.85Å; D65-H91 PolarHBondContact O-N 3.15Å; D65-H91 IonicContact OD2-ND1 3.13Å
66Y97.8Very high96.3Very high96 Ų9657.8 Ų57.838%0.37631%0.313SS..EExtended strand (participates in β ladder)trans-145.5159.3178.869.2-91.8000113.2T56 L59 L64 V88 R89T56-Y66 HydrophobicContact CG2-CD2 3.89Å; T56-Y66 HydrophobicContact CG2-CE2 3.49Å; T56-Y66 VanDerWaalsContact CG2-CE2 3.49Å; L59-Y66 HydrophobicContact CB-CD1 3.82Å; L59-Y66 HydrophobicContact CB-CE1 4.28Å; L59-Y66 HydrophobicContact CB-CG 4.44Å; L59-Y66 HydrophobicContact CD1-CD1 4.32Å; L59-Y66 HydrophobicContact CD1-CG 4.11Å; L64-Y66 WeakPolarHBondContact O-CD1 3.41Å; Y66-V88 HydrophobicContact CD2-CG1 4.32Å; Y66-V88 HydrophobicContact CG-CG1 4.44Å; Y66-R89 CarbonylContact C-O 3.57Å; Y66-R89 WeakPolarHBondContact CA-O 3.49Å; Y66-R89 VanDerWaalsContact CB-O 3.29Å; Y66-R89 WeakPolarHBondContact CB-O 3.47Å
67L96.6Very high96.1Very high28 Ų2866 Ų6615%0.14734%0.341CS..EExtended strand (participates in β ladder)trans-132125.8173.2171.367.2000109.7P4 L6 K18 W21 E69 V88 R89P4-L67 HydrophobicContact CB-CD2 4.34Å; P4-L67 HydrophobicContact CG-CD1 3.73Å; P4-L67 HydrophobicContact CG-CD2 3.53Å; P4-L67 HydrophobicContact CG-CG 4.13Å; L6-L67 HydrophobicContact CD1-CD2 3.82Å; L6-L67 HydrophobicContact CG-CD2 4.47Å; K18-L67 HydrophobicContact CD-CD2 4.26Å; W21-L67 HydrophobicContact CE3-CB 4.44Å; W21-L67 HydrophobicContact CZ3-CB 4.13Å; L67-E69 HydrophobicContact CD2-CG 4.22Å; L67-E69 HydrophobicContact CG-CG 4.22Å; L67-V88 CarbonylContact O-C 3.57Å; L67-V88 WeakPolarHBondContact O-CA 3.34Å; L67-R89 HydrophobicContact CB-CB 4.27Å; L67-R89 PolarHBondContact N-O 3.24Å; L67-R89 PolarHBondContact O-N 2.88Å
68L96.8Very high95.9Very high55 Ų5566.3 Ų66.329%0.28835%0.345SS..EExtended strand (participates in β ladder)trans-90.9128.4175179.363.3000110.5H52 W86 V88H52-L68 HydrophobicContact CB-CD1 3.89Å; L68-W86 HydrophobicContact CD1-CB 4.14Å; L68-V88 HydrophobicContact CD1-CG2 3.85Å
69E95.3Very high95.6Very high19 Ų1967.8 Ų67.89%0.08936%0.358CS..EExtended strand (participates in β ladder)trans-125.9145.9177.4-61.7167.2111.200111.2L67 K71 W86 R87 R89L67-E69 HydrophobicContact CD2-CG 4.22Å; L67-E69 HydrophobicContact CG-CG 4.22Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 HydrophobicContact CB-CG 3.93Å; E69-K71 PolarHBondContact O-N 3Å; E69-W86 CarbonylContact O-C 3.6Å; E69-W86 WeakPolarHBondContact O-CA 3.39Å; E69-R87 HydrophobicContact CB-CB 4.45Å; E69-R87 VanDerWaalsContact CD-NH2 3.25Å; E69-R87 PolarHBondContact N-O 2.88Å; E69-R87 PolarHBondContact O-N 3.08Å; E69-R87 IonicContact OE1-CZ 3.84Å; E69-R87 IonicContact OE1-NH2 3.45Å; E69-R87 PolarHBondContact OE1-NH2 3.15Å; E69-R87 IonicContact OE2-CZ 3.8Å; E69-R87 IonicContact OE2-NE 2.88Å; E69-R87 PolarHBondContact OE2-NE 2.95Å; E69-R87 IonicContact OE2-NH2 3.73Å; E69-R87 PolarHBondContact OE2-NH2 2.98Å; E69-R89 VanDerWaalsContact CD-NE 3.34Å; E69-R89 IonicContact OE1-NE 3.65Å; E69-R89 PolarHBondContact OE1-NE 3.37Å; E69-R89 WeakPolarHBondContact OE2-CD 3.24Å; E69-R89 WeakPolarHBondContact OE2-CG 3.49Å; E69-R89 IonicContact OE2-CZ 2.93Å; E69-R89 IonicContact OE2-NE 3.18Å; E69-R89 PolarHBondContact OE2-NE 3.12Å
70T94.7Very high95.3Very high93 Ų9377.4 Ų77.457%0.57140%0.4SS*.  trans-84.969.3174-44.10000110.6K85T70-K85 HydrophobicContact CG2-CD 3.85Å; T70-K85 HydrophobicContact CG2-CG 3.77Å
71K95.1Very high95.2Very high106 Ų10679.3 Ų79.346%0.46140%0.397SS..  trans-120149.7-178.4-64.5-71.8-174.8176.80110.9Y25 E69 K85 W86 R87Y25-K71 HydrophobicContact CE1-CB 4.41Å; E69-K71 VanDerWaalsContact C-N 3.3Å; E69-K71 HydrophobicContact CB-CG 3.93Å; E69-K71 PolarHBondContact O-N 3Å; K71-K85 CarbonylContact O-C 3.39Å; K71-W86 CarbonylContact O-C 3.23Å; K71-W86 VanDerWaalsContact O-C 3.23Å; K71-W86 WeakPolarHBondContact O-CA 3.45Å; K71-W86 PolarHBondContact O-N 3.14Å; K71-R87 HydrophobicContact CB-CB 3.95Å
72V96.4Very high95Very high43 Ų4377.9 Ų77.926%0.26140%0.401SS..  trans-102.8142.9177.5-177.70000109.3E76 A79 K85V72-E76 HydrophobicContact CG1-CB 3.61Å; V72-E76 HydrophobicContact CG1-CG 3.89Å; V72-A79 HydrophobicContact CG1-CB 3.86Å; V72-A79 HydrophobicContact CG2-CB 4.48Å; V72-K85 HydrophobicContact CG2-CB 4.28Å; V72-K85 HydrophobicContact CG2-CD 4.33Å; V72-K85 HydrophobicContact CG2-CG 3.71Å
73H96.9Very high94.8Very high17 Ų1782.3 Ų82.38%0.07942%0.423CS..  trans-71.6136172.6-177.3-96000109.7Y25 A27 Y28 K75 E76Y25-H73 HydrophobicContact CD1-CB 3.63Å; Y25-H73 AromaticContact CD2-CD2 3.7Å; Y25-H73 HydrophobicContact CE1-CB 4.02Å; Y25-H73 HydrophobicContact CG-CB 3.86Å; Y25-H73 AromaticContact CG-CD2 3.81Å; A27-H73 HydrophobicContact CB-CB 4.5Å; Y28-H73 AromaticContact CE1-CD2 3.58Å; Y28-H73 AromaticContact CE1-NE2 3.44Å; Y28-H73 WeakPolarHBondContact CE1-NE2 3.18Å; H73-K75 WeakPolarHBondContact ND1-CB 3.29Å; H73-K75 PolarHBondContact ND1-N 3.01Å; H73-K75 VanDerWaalsContact ND1-N 3.15Å; H73-K75 PolarHBondContact O-N 3.13Å; H73-E76 HydrophobicContact CB-CB 4.34Å; H73-E76 WeakPolarHBondContact O-CB 3.31Å; H73-E76 PolarHBondContact O-N 3.37Å
74P96.2Very high94.8Very high119 Ų11978 Ų7877%0.77339%0.391SS*.THydrogen-bonded Turntrans-57.9-24-175.2-2835.5000115.7
75K96.2Very high94.7Very high118 Ų11882.1 Ų82.151%0.51341%0.408SS..THydrogen-bonded Turntrans-93.94.5177.4-54.4-174.4167.7-1670114.4A36 H73 R77A36-K75 VanDerWaalsContact O-CD 3.25Å; A36-K75 WeakPolarHBondContact O-CD 3.09Å; A36-K75 PolarHBondContact O-NZ 3.21Å; H73-K75 WeakPolarHBondContact ND1-CB 3.29Å; H73-K75 PolarHBondContact ND1-N 3.01Å; H73-K75 VanDerWaalsContact ND1-N 3.15Å; H73-K75 PolarHBondContact O-N 3.13Å; K75-R77 PolarHBondContact O-N 3.03Å
76E95.2Very high94.7Very high17 Ų1777.9 Ų77.98%0.07939%0.385CS..  trans-73.6123.6177.7-175.446.7-9400109.6R33 V72 H73 D78 N84R33-E76 IonicContact CZ-OE1 3.82Å; R33-E76 IonicContact CZ-OE2 3.13Å; R33-E76 IonicContact NE-OE1 3.81Å; R33-E76 IonicContact NE-OE2 3.66Å; R33-E76 VanDerWaalsContact NH2-CD 3.33Å; R33-E76 IonicContact NH2-OE1 2.94Å; R33-E76 PolarHBondContact NH2-OE1 3.43Å; R33-E76 IonicContact NH2-OE2 3.41Å; R33-E76 PolarHBondContact NH2-OE2 2.88Å; V72-E76 HydrophobicContact CG1-CB 3.61Å; V72-E76 HydrophobicContact CG1-CG 3.89Å; H73-E76 HydrophobicContact CB-CB 4.34Å; H73-E76 WeakPolarHBondContact O-CB 3.31Å; H73-E76 PolarHBondContact O-N 3.37Å; E76-D78 PolarHBondContact OE1-N 3.14Å; E76-N84 HydrophobicContact CG-CB 3.93Å
77R92.2Very high94.7Very high191 Ų19174.9 Ų74.972%0.72137%0.373SS*.SBendtrans-79.7-33.7179-67.1-174.7176.4-173.7-3.3111K75 A79K75-R77 PolarHBondContact O-N 3.03Å; R77-A79 PolarHBondContact O-N 3.24Å
78D91.8Very high94.7Very high82 Ų8273.5 Ų73.544%0.43937%0.366SS..  trans-101.257-173.4-47.2-51.2000109.5R33 E76 F80 E81R33-D78 IonicContact CZ-OD2 3.85Å; R33-D78 IonicContact NH1-OD2 3.18Å; R33-D78 IonicContact NH2-OD2 3.27Å; R33-D78 PolarHBondContact NH2-OD2 3.32Å; E76-D78 PolarHBondContact OE1-N 3.14Å; D78-F80 PolarHBondContact O-N 2.84Å; D78-F80 VanDerWaalsContact O-N 3.14Å; D78-E81 HydrophobicContact CB-CB 4.11Å; D78-E81 WeakPolarHBondContact O-CB 3.49Å; D78-E81 PolarHBondContact O-N 2.83Å
79A90.6Very high94.8Very high36 Ų3672 Ų7230%0.29836%0.357SS..THydrogen-bonded Turntrans-63.7-20.6-170.500000114.6V72 R77V72-A79 HydrophobicContact CG1-CB 3.86Å; V72-A79 HydrophobicContact CG2-CB 4.48Å; R77-A79 PolarHBondContact O-N 3.24Å
80F91.8Very high94.9Very high202 Ų20271.1 Ų71.189%0.88635%0.353SS*.THydrogen-bonded Turntrans-87.7-16178.2-62-75.7000113.1D78 P82D78-F80 PolarHBondContact O-N 2.84Å; D78-F80 VanDerWaalsContact O-N 3.14Å; F80-P82 VanDerWaalsContact O-CD 3.23Å; F80-P82 WeakPolarHBondContact O-CD 3.33Å
81E93.3Very high95.1Very high81 Ų8167.6 Ų67.638%0.37933%0.33SS..  trans-69.1115.5179178.249.4-121.100109.9D78 M83 N84 K85D78-E81 HydrophobicContact CB-CB 4.11Å; D78-E81 WeakPolarHBondContact O-CB 3.49Å; D78-E81 PolarHBondContact O-N 2.83Å; E81-M83 HydrophobicContact CG-CB 4.21Å; E81-M83 PolarHBondContact O-N 3.32Å; E81-M83 VanDerWaalsContact O-N 3.12Å; E81-M83 WeakPolarHBondContact OE1-CG 3.36Å; E81-M83 PolarHBondContact OE1-N 3.29Å; E81-N84 PolarHBondContact O-N 2.83Å; E81-K85 PolarHBondContact O-N 2.77Å
82P92.2Very high95.2Very high98 Ų9862.9 Ų62.964%0.63631%0.31SS*.G310 helixtrans-55.3-33.5-177-2936.9000113.7F80 N84 K85F80-P82 VanDerWaalsContact O-CD 3.23Å; F80-P82 WeakPolarHBondContact O-CD 3.33Å; P82-N84 PolarHBondContact O-N 3.36Å; P82-K85 PolarHBondContact O-N 3.09Å; P82-K85 VanDerWaalsContact O-N 3.15Å
83M92.2Very high95.2Very high121 Ų12164.2 Ų64.260%0.59631%0.312SS*.G310 helixtrans-64.1-23.7179.4-59.5-168-164.300113.5E81 W86E81-M83 HydrophobicContact CG-CB 4.21Å; E81-M83 PolarHBondContact O-N 3.32Å; E81-M83 VanDerWaalsContact O-N 3.12Å; E81-M83 WeakPolarHBondContact OE1-CG 3.36Å; E81-M83 PolarHBondContact OE1-N 3.29Å; M83-W86 PolarHBondContact O-NE1 2.96Å; M83-W86 VanDerWaalsContact O-NE1 3.09Å
84N94.2Very high95.3Very high16 Ų1666.5 Ų66.59%0.08633%0.325CS..G310 helixtrans-96.6-6.7179.4-63.2-34.3000113P26 E76 E81 P82 W86P26-N84 WeakPolarHBondContact CG-O 3.44Å; E76-N84 HydrophobicContact CG-CB 3.93Å; E81-N84 PolarHBondContact O-N 2.83Å; P82-N84 PolarHBondContact O-N 3.36Å; N84-W86 PolarHBondContact O-N 3.33Å
85K95.7Very high95.3Very high93 Ų9365.1 Ų65.140%0.40431%0.311SS..  trans-9561.5-171.4-165.8173.7-170.3177.60112.8T70 K71 V72 E81 P82T70-K85 HydrophobicContact CG2-CD 3.85Å; T70-K85 HydrophobicContact CG2-CG 3.77Å; K71-K85 CarbonylContact O-C 3.39Å; V72-K85 HydrophobicContact CG2-CB 4.28Å; V72-K85 HydrophobicContact CG2-CD 4.33Å; V72-K85 HydrophobicContact CG2-CG 3.71Å; E81-K85 PolarHBondContact O-N 2.77Å; P82-K85 PolarHBondContact O-N 3.09Å; P82-K85 VanDerWaalsContact O-N 3.15Å
86W96.9Very high95.3Very high4 Ų465.6 Ų65.62%0.01532%0.319CS..  trans-147.2149.3173.760.5-91000113.6V24 Y25 P26 P50 H52 V55 L68 E69 K71 M83 N84 V88V24-W86 HydrophobicContact CG1-CH2 4.38Å; V24-W86 HydrophobicContact CG1-CZ3 4.18Å; V24-W86 WeakPolarHBondContact O-CZ3 3.22Å; Y25-W86 WeakPolarHBondContact CD1-O 3.45Å; P26-W86 HydrophobicContact CB-CD2 4.48Å; P26-W86 HydrophobicContact CB-CH2 4.28Å; P26-W86 HydrophobicContact CB-CZ2 3.45Å; P26-W86 VanDerWaalsContact CB-CZ2 3.45Å; P26-W86 WeakPolarHBondContact CD-O 3.44Å; P26-W86 HydrophobicContact CG-CD2 4.19Å; P26-W86 HydrophobicContact CG-CG 4.47Å; P26-W86 HydrophobicContact CG-CZ2 4.04Å; P50-W86 HydrophobicContact CB-CZ2 4.37Å; H52-W86 HydrophobicContact CB-CB 4.04Å; H52-W86 HydrophobicContact CB-CD2 3.67Å; H52-W86 HydrophobicContact CB-CE3 4.06Å; H52-W86 HydrophobicContact CB-CG 3.69Å; V55-W86 HydrophobicContact CG2-CH2 3.94Å; L68-W86 HydrophobicContact CD1-CB 4.14Å; E69-W86 CarbonylContact O-C 3.6Å; E69-W86 WeakPolarHBondContact O-CA 3.39Å; K71-W86 CarbonylContact O-C 3.23Å; K71-W86 VanDerWaalsContact O-C 3.23Å; K71-W86 WeakPolarHBondContact O-CA 3.45Å; K71-W86 PolarHBondContact O-N 3.14Å; M83-W86 PolarHBondContact O-NE1 2.96Å; M83-W86 VanDerWaalsContact O-NE1 3.09Å; N84-W86 PolarHBondContact O-N 3.33Å; W86-V88 HydrophobicContact CE3-CG2 3.83Å; W86-V88 HydrophobicContact CZ3-CB 4.48Å; W86-V88 HydrophobicContact CZ3-CG2 3.91Å
87R97.4Very high95.3Very high33 Ų3366 Ų6613%0.12533%0.328CS..EExtended strand (participates in β ladder)trans-131.6129.9165.5179.3169.572-172.42.9108.3C23 V24 Y25 E69 K71 R89C23-R87 HydrophobicContact CB-CG 4.13Å; V24-R87 WeakPolarHBondContact O-CA 3.48Å; Y25-R87 HydrophobicContact CD1-CB 4.08Å; Y25-R87 HydrophobicContact CD1-CG 4.44Å; Y25-R87 HydrophobicContact CD2-CG 4.45Å; Y25-R87 HydrophobicContact CE1-CB 3.78Å; Y25-R87 HydrophobicContact CE1-CG 4.13Å; Y25-R87 HydrophobicContact CE2-CG 4.13Å; Y25-R87 WeakPolarHBondContact OH-CD 3.41Å; Y25-R87 PolarHBondContact OH-NH1 3.36Å; E69-R87 HydrophobicContact CB-CB 4.45Å; E69-R87 VanDerWaalsContact CD-NH2 3.25Å; E69-R87 PolarHBondContact N-O 2.88Å; E69-R87 PolarHBondContact O-N 3.08Å; E69-R87 IonicContact OE1-CZ 3.84Å; E69-R87 IonicContact OE1-NH2 3.45Å; E69-R87 PolarHBondContact OE1-NH2 3.15Å; E69-R87 IonicContact OE2-CZ 3.8Å; E69-R87 IonicContact OE2-NE 2.88Å; E69-R87 PolarHBondContact OE2-NE 2.95Å; E69-R87 IonicContact OE2-NH2 3.73Å; E69-R87 PolarHBondContact OE2-NH2 2.98Å; K71-R87 HydrophobicContact CB-CB 3.95Å; R87-R89 VanDerWaalsContact NH2-NH2 3.1Å
88V97.8Very high95.6Very high0 Ų058.8 Ų58.80%031%0.307CS..EExtended strand (participates in β ladder)trans-104.4120.3169.2-179.10000107.7C23 V24 V55 T56 L59 Y66 L67 L68 W86 V90C23-V88 CarbonylContact C-O 3.59Å; V24-V88 HydrophobicContact CB-CB 4.43Å; V24-V88 PolarHBondContact N-O 3.27Å; V24-V88 PolarHBondContact O-N 3.08Å; V55-V88 HydrophobicContact CG1-CG2 4.32Å; T56-V88 HydrophobicContact CG2-CG2 4.19Å; L59-V88 HydrophobicContact CD1-CG1 3.61Å; Y66-V88 HydrophobicContact CD2-CG1 4.32Å; Y66-V88 HydrophobicContact CG-CG1 4.44Å; L67-V88 CarbonylContact O-C 3.57Å; L67-V88 WeakPolarHBondContact O-CA 3.34Å; L68-V88 HydrophobicContact CD1-CG2 3.85Å; W86-V88 HydrophobicContact CE3-CG2 3.83Å; W86-V88 HydrophobicContact CZ3-CB 4.48Å; W86-V88 HydrophobicContact CZ3-CG2 3.91Å; V88-V90 HydrophobicContact CG1-CG2 3.91Å
89R97.8Very high95.8Very high23 Ų2356.2 Ų56.29%0.08729%0.294CS..EExtended strand (participates in β ladder)trans-87.4136.9167.7-70.4177.4175.3-88.29.6108.8K18 E19 W21 V22 Y66 L67 E69 R87K18-R89 WeakPolarHBondContact O-CD 3.35Å; K18-R89 PolarHBondContact O-NH1 2.92Å; E19-R89 PolarHBondContact O-NH1 2.96Å; E19-R89 VanDerWaalsContact O-NH1 3.11Å; W21-R89 HydrophobicContact CB-CB 3.95Å; W21-R89 HydrophobicContact CE3-CB 4.07Å; V22-R89 CarbonylContact O-C 3.57Å; V22-R89 VanDerWaalsContact O-CA 3.24Å; V22-R89 WeakPolarHBondContact O-CA 3.27Å; Y66-R89 CarbonylContact C-O 3.57Å; Y66-R89 WeakPolarHBondContact CA-O 3.49Å; Y66-R89 VanDerWaalsContact CB-O 3.29Å; Y66-R89 WeakPolarHBondContact CB-O 3.47Å; L67-R89 HydrophobicContact CB-CB 4.27Å; L67-R89 PolarHBondContact N-O 3.24Å; L67-R89 PolarHBondContact O-N 2.88Å; E69-R89 VanDerWaalsContact CD-NE 3.34Å; E69-R89 IonicContact OE1-NE 3.65Å; E69-R89 PolarHBondContact OE1-NE 3.37Å; E69-R89 WeakPolarHBondContact OE2-CD 3.24Å; E69-R89 WeakPolarHBondContact OE2-CG 3.49Å; E69-R89 IonicContact OE2-CZ 2.93Å; E69-R89 IonicContact OE2-NE 3.18Å; E69-R89 PolarHBondContact OE2-NE 3.12Å; R87-R89 VanDerWaalsContact NH2-NH2 3.1Å
90V98.3Very high96.1Very high0 Ų057 Ų570%030%0.295CS..EExtended strand (participates in β ladder)trans-129.5129.9-178.3-171.80000110.1W21 V22 V24 L59 L64 D65 V88 L92 L110W21-V90 WeakPolarHBondContact CB-O 3.36Å; V22-V90 HydrophobicContact CG2-CB 4Å; V22-V90 WeakPolarHBondContact CG2-O 3.2Å; V22-V90 PolarHBondContact N-O 3.45Å; V22-V90 PolarHBondContact O-N 3.42Å; V24-V90 HydrophobicContact CG2-CG2 4.33Å; L59-V90 HydrophobicContact CD1-CG2 3.69Å; L59-V90 HydrophobicContact CD2-CG1 4.16Å; L59-V90 HydrophobicContact CD2-CG2 4.21Å; L64-V90 HydrophobicContact CB-CG1 4.27Å; L64-V90 HydrophobicContact CD1-CG1 4.31Å; D65-V90 WeakPolarHBondContact O-CA 3.33Å; V88-V90 HydrophobicContact CG1-CG2 3.91Å; V90-L92 HydrophobicContact CG1-CD2 3.96Å; V90-L92 HydrophobicContact CG1-CG 4.31Å; V90-L110 HydrophobicContact CB-CD2 4Å; V90-L110 HydrophobicContact CG1-CD2 3.95Å; V90-L110 HydrophobicContact CG2-CD2 4.02Å
91H97.9Very high96.3Very high19 Ų1949.3 Ų49.39%0.08826%0.263CS..  trans-77120.2173.8-168.9-150.2000109.3W21 D65 K93W21-H91 AromaticContact CD1-CD2 3.7Å; W21-H91 HydrophobicContact CD2-CB 3.81Å; W21-H91 AromaticContact CE2-CD2 3.96Å; W21-H91 AromaticContact CE2-CG 3.78Å; W21-H91 HydrophobicContact CE3-CB 4.31Å; W21-H91 HydrophobicContact CG-CB 4.22Å; W21-H91 HydrophobicContact CH2-CB 4.28Å; W21-H91 HydrophobicContact CZ2-CB 3.79Å; W21-H91 AromaticContact NE1-CD2 3.29Å; W21-H91 PolarHBondContact NE1-CD2 3.45Å; W21-H91 VanDerWaalsContact NE1-CD2 3.29Å; W21-H91 AromaticContact NE1-CG 3.6Å; D65-H91 HydrophobicContact CB-CB 3.85Å; D65-H91 PolarHBondContact O-N 3.15Å; D65-H91 IonicContact OD2-ND1 3.13Å; H91-K93 PolarHBondContact CD2-O 3.17Å; H91-K93 PolarHBondContact NE2-O 3.33Å
92L97.8Very high96.5Very high8 Ų852.2 Ų52.24%0.04228%0.277CS..  trans-125.1-11-177.8-70.7-172.6000114.1V22 L64 V90 P99 V100 F104 L110V22-L92 HydrophobicContact CB-CD1 4.43Å; V22-L92 HydrophobicContact CG1-CD1 4.08Å; V22-L92 HydrophobicContact CG2-CD1 3.5Å; V22-L92 VanDerWaalsContact CG2-CD1 3.5Å; V22-L92 HydrophobicContact CG2-CG 3.87Å; L64-L92 HydrophobicContact CD1-CD2 4.34Å; L64-L92 HydrophobicContact CD2-CD2 4.5Å; V90-L92 HydrophobicContact CG1-CD2 3.96Å; V90-L92 HydrophobicContact CG1-CG 4.31Å; L92-P99 CarbonylContact O-C 3.59Å; L92-P99 WeakPolarHBondContact O-CA 3.42Å; L92-V100 PolarHBondContact O-N 3.14Å; L92-F104 HydrophobicContact CD2-CB 4.07Å; L92-L110 HydrophobicContact CD1-CB 4.35Å; L92-L110 HydrophobicContact CD1-CD2 4.16Å; L92-L110 HydrophobicContact CD2-CD2 4.29Å
93K97.6Very high96.7Very high71 Ų7153.8 Ų53.831%0.30928%0.276SS..BIsolated β-bridgetrans-136.5135.6-174.5-69.4-174.1171.1-156.20110.7Y15 H91 S98Y15-K93 VanDerWaalsContact CB-O 3.29Å; Y15-K93 WeakPolarHBondContact CB-O 3.14Å; Y15-K93 HydrophobicContact CD1-CB 3.79Å; Y15-K93 HydrophobicContact CD1-CD 3.8Å; Y15-K93 HydrophobicContact CD1-CG 4.4Å; Y15-K93 HydrophobicContact CD2-CB 4.43Å; Y15-K93 HydrophobicContact CE1-CB 4.33Å; Y15-K93 HydrophobicContact CE1-CD 3.48Å; Y15-K93 VanDerWaalsContact CE1-CD 3.48Å; Y15-K93 HydrophobicContact CG-CB 3.84Å; Y15-K93 HydrophobicContact CG-CD 4.43Å; H91-K93 PolarHBondContact CD2-O 3.17Å; H91-K93 PolarHBondContact NE2-O 3.33Å; K93-S98 CarbonylContact C-O 3.5Å; K93-S98 WeakPolarHBondContact CA-O 3.47Å
94N97.4Very high96.9Very high64 Ų6448.2 Ų48.234%0.34225%0.248SC..  trans-70.1167.9166.6-60.4-45.8000109.8Y15 D96 G97 S98 V100Y15-N94 WeakPolarHBondContact CB-O 3.4Å; Y15-N94 WeakPolarHBondContact CD2-O 3.43Å; N94-D96 VanDerWaalsContact CB-OD1 3.22Å; N94-D96 WeakPolarHBondContact CB-OD1 3.35Å; N94-D96 PolarHBondContact O-N 3.02Å; N94-G97 WeakPolarHBondContact O-CA 3.37Å; N94-G97 PolarHBondContact O-N 2.87Å; N94-S98 PolarHBondContact N-O 3.11Å; N94-S98 PolarHBondContact ND2-OG 3.39Å; N94-V100 WeakPolarHBondContact OD1-CG2 3.28Å
95D97.2Very high97Very high90 Ų9049.9 Ų49.948%0.48126%0.26SS..THydrogen-bonded Turntrans-67.8-22.3-176.6-73.1-24.2000113.9P14 Y15 S16 G97P14-D95 VanDerWaalsContact CB-OD1 3.26Å; P14-D95 WeakPolarHBondContact CB-OD1 3.44Å; Y15-D95 WeakPolarHBondContact CA-OD1 3.35Å; Y15-D95 PolarHBondContact N-OD1 3.07Å; S16-D95 WeakPolarHBondContact CB-OD1 3.32Å; S16-D95 WeakPolarHBondContact CB-OD2 3.43Å; S16-D95 PolarHBondContact N-OD1 3.19Å; S16-D95 VanDerWaalsContact OG-CG 3.27Å; S16-D95 PolarHBondContact OG-OD1 3.33Å; S16-D95 VanDerWaalsContact OG-OD1 3.04Å; S16-D95 PolarHBondContact OG-OD2 2.97Å; D95-G97 PolarHBondContact O-N 3.07Å
96D96.3Very high97.1Very high128 Ų12849.1 Ų49.168%0.68426%0.26SS*.THydrogen-bonded Turntrans-74.1-6.7169.168.1-3.8000113.4N94 S98N94-D96 VanDerWaalsContact CB-OD1 3.22Å; N94-D96 WeakPolarHBondContact CB-OD1 3.35Å; N94-D96 PolarHBondContact O-N 3.02Å; D96-S98 VanDerWaalsContact CG-OG 3.28Å; D96-S98 VanDerWaalsContact OD1-CB 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.48Å; D96-S98 PolarHBondContact OD1-N 3.41Å; D96-S98 PolarHBondContact OD1-OG 2.88Å; D96-S98 PolarHBondContact OD2-OG 2.67Å
97G95.3Very high97.1Very high26 Ų2654.9 Ų54.927%0.26828%0.282SS..SBendtrans88-5.2-179.100000115.2N94 D95N94-G97 WeakPolarHBondContact O-CA 3.37Å; N94-G97 PolarHBondContact O-N 2.87Å; D95-G97 PolarHBondContact O-N 3.07Å
98S97.2Very high97.1Very high39 Ų3958 Ų5827%0.27330%0.298SS..  trans-65.5152172.468.90000110.8K93 N94 D96K93-S98 CarbonylContact C-O 3.5Å; K93-S98 WeakPolarHBondContact CA-O 3.47Å; N94-S98 PolarHBondContact N-O 3.11Å; N94-S98 PolarHBondContact ND2-OG 3.39Å; D96-S98 VanDerWaalsContact CG-OG 3.28Å; D96-S98 VanDerWaalsContact OD1-CB 3.27Å; D96-S98 WeakPolarHBondContact OD1-CB 3.48Å; D96-S98 PolarHBondContact OD1-N 3.41Å; D96-S98 PolarHBondContact OD1-OG 2.88Å; D96-S98 PolarHBondContact OD2-OG 2.67Å
99P97.5Very high97Very high28 Ų2859.5 Ų59.518%0.18231%0.309CS..BIsolated β-bridgetrans-72.7138.617932.5-36.1000111.6L92 N101 E102 P105L92-P99 CarbonylContact O-C 3.59Å; L92-P99 WeakPolarHBondContact O-CA 3.42Å; P99-N101 PolarHBondContact O-N 3.06Å; P99-E102 VanDerWaalsContact CG-CD 3.48Å; P99-E102 WeakPolarHBondContact CG-OE1 3.49Å; P99-E102 WeakPolarHBondContact CG-OE2 3.25Å; P99-P105 HydrophobicContact CB-CB 4.05Å; P99-P105 HydrophobicContact CG-CB 4.38Å
100V96.9Very high97.1Very high52 Ų5258.4 Ų58.432%0.31531%0.305SS..SBendtrans-62.5-33.3174.2172.20000110.9L64 L92 N94L64-V100 HydrophobicContact CD2-CG1 4.45Å; L92-V100 PolarHBondContact O-N 3.14Å; N94-V100 WeakPolarHBondContact OD1-CG2 3.28Å
101N96.2Very high97.1Very high41 Ų4158.4 Ų58.422%0.21931%0.305CS..SBendtrans-139120.4175.8-177.1-28.5000108.7L64 P99 Q103 F104L64-N101 HydrophobicContact CD2-CB 4.01Å; P99-N101 PolarHBondContact O-N 3.06Å; N101-Q103 PolarHBondContact O-N 3.36Å; N101-Q103 VanDerWaalsContact O-N 3.1Å; N101-Q103 VanDerWaalsContact OD1-CB 3.31Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.29Å; N101-Q103 WeakPolarHBondContact OD1-CG 3.43Å; N101-Q103 PolarHBondContact OD1-N 2.98Å; N101-F104 HydrophobicContact CB-CD2 4.24Å; N101-F104 CarbonylContact O-C 3.6Å; N101-F104 WeakPolarHBondContact O-CA 3.26Å; N101-F104 PolarHBondContact O-N 2.85Å
102E96.4Very high97Very high142 Ų14258.9 Ų58.966%0.66431%0.31SS*.THydrogen-bonded Turntrans-60.1-19.9-178.2-67-6316400113.9P99 F104 P105P99-E102 VanDerWaalsContact CG-CD 3.48Å; P99-E102 WeakPolarHBondContact CG-OE1 3.49Å; P99-E102 WeakPolarHBondContact CG-OE2 3.25Å; E102-F104 VanDerWaalsContact C-N 3.29Å; E102-P105 WeakPolarHBondContact O-CD 3.47Å
103Q96.4Very high97Very high131 Ų13163 Ų6361%0.61233%0.326SS*.THydrogen-bonded Turntrans-72.8-24.8172.6-60.5-178.7-3.200112.3N101 P105N101-Q103 PolarHBondContact O-N 3.36Å; N101-Q103 VanDerWaalsContact O-N 3.1Å; N101-Q103 VanDerWaalsContact OD1-CB 3.31Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.29Å; N101-Q103 WeakPolarHBondContact OD1-CG 3.43Å; N101-Q103 PolarHBondContact OD1-N 2.98Å; Q103-P105 WeakPolarHBondContact O-CD 3.29Å
104F96.8Very high97Very high5 Ų559.6 Ų59.62%0.02231%0.311CS..  trans-126.456.4-173.9-51-61.7000112.9L62 L64 L92 N101 E102 N106 S109 L110 Y113L62-F104 HydrophobicContact CD1-CD2 4.49Å; L62-F104 HydrophobicContact CD1-CE2 3.62Å; L62-F104 HydrophobicContact CD1-CZ 3.72Å; L62-F104 HydrophobicContact CD2-CE2 3.95Å; L62-F104 HydrophobicContact CD2-CZ 4.1Å; L62-F104 HydrophobicContact CG-CE2 4.24Å; L64-F104 HydrophobicContact CD1-CD2 3.91Å; L64-F104 HydrophobicContact CD1-CE2 4.41Å; L92-F104 HydrophobicContact CD2-CB 4.07Å; N101-F104 HydrophobicContact CB-CD2 4.24Å; N101-F104 CarbonylContact O-C 3.6Å; N101-F104 WeakPolarHBondContact O-CA 3.26Å; N101-F104 PolarHBondContact O-N 2.85Å; E102-F104 VanDerWaalsContact C-N 3.29Å; F104-N106 PolarHBondContact O-N 3.02Å; F104-S109 WeakPolarHBondContact CA-OG 3.36Å; F104-L110 HydrophobicContact CD1-CB 4.48Å; F104-L110 HydrophobicContact CD1-CD1 4.36Å; F104-L110 HydrophobicContact CG-CD1 4.4Å; F104-Y113 HydrophobicContact CE1-CD1 4.08Å; F104-Y113 AromaticContact CE1-CD2 3.9Å; F104-Y113 HydrophobicContact CE1-CD2 3.9Å; F104-Y113 AromaticContact CE1-CG 3.56Å; F104-Y113 HydrophobicContact CE1-CG 3.56Å; F104-Y113 HydrophobicContact CZ-CD1 4.04Å; F104-Y113 AromaticContact CZ-CD2 3.97Å; F104-Y113 HydrophobicContact CZ-CD2 3.97Å; F104-Y113 HydrophobicContact CZ-CE1 4.37Å; F104-Y113 HydrophobicContact CZ-CE2 4.29Å; F104-Y113 AromaticContact CZ-CG 3.84Å; F104-Y113 HydrophobicContact CZ-CG 3.84Å
105P96.7Very high97Very high51 Ų5156.8 Ų56.833%0.33130%0.297SS..SBendtrans-68.1-15.2-173.227.5-37.2000114P99 E102 Q103 S109P99-P105 HydrophobicContact CB-CB 4.05Å; P99-P105 HydrophobicContact CG-CB 4.38Å; E102-P105 WeakPolarHBondContact O-CD 3.47Å; Q103-P105 WeakPolarHBondContact O-CD 3.29Å; P105-S109 WeakPolarHBondContact CD-OG 3.34Å
106N96.7Very high96.9Very high76 Ų7658.9 Ų58.941%0.40630%0.302SS..SBendtrans-150.8170.7-179.261.161.2000111.4F104 Q108 S109 L110F104-N106 PolarHBondContact O-N 3.02Å; N106-Q108 PolarHBondContact O-N 3.27Å; N106-Q108 WeakPolarHBondContact OD1-CA 3.47Å; N106-Q108 VanDerWaalsContact OD1-CB 3.28Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.39Å; N106-Q108 PolarHBondContact OD1-N 3.05Å; N106-S109 PolarHBondContact O-N 3.47Å; N106-S109 PolarHBondContact O-OG 3.49Å; N106-S109 PolarHBondContact OD1-N 3.4Å; N106-L110 PolarHBondContact O-N 3.29Å
107R97.4Very high96.9Very high125 Ų12553.5 Ų53.547%0.47228%0.275SS..Hα-helixtrans-58.7-32.9179.3-176.9177.961.7-123.6-4.2112.8V22 L111V22-R107 HydrophobicContact CB-CB 4.4Å; V22-R107 HydrophobicContact CB-CG 4.45Å; V22-R107 HydrophobicContact CG1-CB 4.3Å; R107-L111 HydrophobicContact CG-CD1 3.93Å; R107-L111 HydrophobicContact CG-CG 4.2Å; R107-L111 WeakPolarHBondContact O-CB 3.34Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.5Å; R107-L111 PolarHBondContact O-N 2.95Å
108Q97Very high96.9Very high98 Ų9852.3 Ų52.346%0.45826%0.262SS..Hα-helixtrans-69.9-44.8-175.3-174.36619.900111.4L41 N106 L110 L111 S112L41-Q108 VanDerWaalsContact CD2-NE2 3.3Å; N106-Q108 PolarHBondContact O-N 3.27Å; N106-Q108 WeakPolarHBondContact OD1-CA 3.47Å; N106-Q108 VanDerWaalsContact OD1-CB 3.28Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.39Å; N106-Q108 PolarHBondContact OD1-N 3.05Å; Q108-L110 VanDerWaalsContact C-N 3.35Å; Q108-L111 PolarHBondContact O-N 3.41Å; Q108-S112 WeakPolarHBondContact O-CB 3.38Å; Q108-S112 PolarHBondContact O-N 3.17Å; Q108-S112 PolarHBondContact O-OG 3.29Å; Q108-S112 VanDerWaalsContact O-OG 3.07Å
109S97.3Very high96.8Very high33 Ų3353.6 Ų53.623%0.23127%0.27CS..Hα-helixtrans-63.5-41.1176.852.50000111.8F104 P105 N106 S112 Y113F104-S109 WeakPolarHBondContact CA-OG 3.36Å; P105-S109 WeakPolarHBondContact CD-OG 3.34Å; N106-S109 PolarHBondContact O-N 3.47Å; N106-S109 PolarHBondContact O-OG 3.49Å; N106-S109 PolarHBondContact OD1-N 3.4Å; S109-S112 PolarHBondContact O-N 3.21Å; S109-Y113 PolarHBondContact O-N 2.97Å
110L98.1Very high96.5Very high0 Ų055.8 Ų55.80%028%0.282CS..Hα-helixtrans-59.2-50.717418066.7000112.2V22 V24 L59 L64 V90 L92 F104 N106 Q108 S112 Y113 L114V22-L110 HydrophobicContact CG2-CD2 4.28Å; V24-L110 HydrophobicContact CG2-CD2 4.29Å; L59-L110 HydrophobicContact CD2-CD1 3.88Å; L64-L110 HydrophobicContact CD1-CD1 4.07Å; V90-L110 HydrophobicContact CB-CD2 4Å; V90-L110 HydrophobicContact CG1-CD2 3.95Å; V90-L110 HydrophobicContact CG2-CD2 4.02Å; L92-L110 HydrophobicContact CD1-CB 4.35Å; L92-L110 HydrophobicContact CD1-CD2 4.16Å; L92-L110 HydrophobicContact CD2-CD2 4.29Å; F104-L110 HydrophobicContact CD1-CB 4.48Å; F104-L110 HydrophobicContact CD1-CD1 4.36Å; F104-L110 HydrophobicContact CG-CD1 4.4Å; N106-L110 PolarHBondContact O-N 3.29Å; Q108-L110 VanDerWaalsContact C-N 3.35Å; L110-S112 PolarHBondContact O-N 3.42Å; L110-Y113 PolarHBondContact O-N 3.19Å; L110-L114 HydrophobicContact CD1-CD1 4.43Å; L110-L114 HydrophobicContact CD1-CG 4.41Å; L110-L114 HydrophobicContact CG-CD1 4.14Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.23Å
111L98.2Very high96.1Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-61.9-44.7-178.7-71.9176000111.5V24 Y28 L29 K40 L41 R107 Q108 Y113 L114 G115V24-L111 HydrophobicContact CG1-CD2 3.91Å; V24-L111 HydrophobicContact CG2-CD2 4.08Å; Y28-L111 HydrophobicContact CD2-CD1 4.4Å; Y28-L111 HydrophobicContact CD2-CD2 4.37Å; L29-L111 HydrophobicContact CD2-CB 4.15Å; L29-L111 HydrophobicContact CD2-CD2 3.79Å; L29-L111 WeakPolarHBondContact CD2-O 3.39Å; L29-L111 HydrophobicContact CG-CD2 4.16Å; K40-L111 HydrophobicContact CB-CD1 4.05Å; K40-L111 HydrophobicContact CG-CD1 4.45Å; L41-L111 HydrophobicContact CD1-CB 4.1Å; L41-L111 WeakPolarHBondContact CD1-O 3.36Å; L41-L111 HydrophobicContact CD2-CB 3.92Å; L41-L111 HydrophobicContact CG-CB 4.27Å; R107-L111 HydrophobicContact CG-CD1 3.93Å; R107-L111 HydrophobicContact CG-CG 4.2Å; R107-L111 WeakPolarHBondContact O-CB 3.34Å; R107-L111 VanDerWaalsContact O-CG 3.27Å; R107-L111 WeakPolarHBondContact O-CG 3.5Å; R107-L111 PolarHBondContact O-N 2.95Å; Q108-L111 PolarHBondContact O-N 3.41Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.1Å; L111-L114 PolarHBondContact O-N 3.42Å; L111-G115 PolarHBondContact O-N 3.23Å
112S97.4Very high95.7Very high29 Ų2955 Ų5520%0.20327%0.272CS..Hα-helixtrans-59.8-40177.4-650000112.2Q108 S109 L110 K116Q108-S112 WeakPolarHBondContact O-CB 3.38Å; Q108-S112 PolarHBondContact O-N 3.17Å; Q108-S112 PolarHBondContact O-OG 3.29Å; Q108-S112 VanDerWaalsContact O-OG 3.07Å; S109-S112 PolarHBondContact O-N 3.21Å; L110-S112 PolarHBondContact O-N 3.42Å; S112-K116 WeakPolarHBondContact O-CG 3.31Å; S112-K116 PolarHBondContact O-N 3.31Å
113Y97.5Very high95.2Very high94 Ų9452.9 Ų52.937%0.36927%0.272SS..Hα-helixtrans-66.9-46.9175.6-179.3-88.2000112.2I58 L62 F104 S109 L110 L111 G115 K116 A117I58-Y113 HydrophobicContact CG2-CD1 4.21Å; I58-Y113 HydrophobicContact CG2-CE1 3.65Å; L62-Y113 HydrophobicContact CD1-CD1 4.03Å; L62-Y113 HydrophobicContact CD1-CE1 3.7Å; L62-Y113 HydrophobicContact CD2-CE1 4.18Å; L62-Y113 HydrophobicContact CG-CE1 4.33Å; F104-Y113 HydrophobicContact CE1-CD1 4.08Å; F104-Y113 AromaticContact CE1-CD2 3.9Å; F104-Y113 HydrophobicContact CE1-CD2 3.9Å; F104-Y113 AromaticContact CE1-CG 3.56Å; F104-Y113 HydrophobicContact CE1-CG 3.56Å; F104-Y113 HydrophobicContact CZ-CD1 4.04Å; F104-Y113 AromaticContact CZ-CD2 3.97Å; F104-Y113 HydrophobicContact CZ-CD2 3.97Å; F104-Y113 HydrophobicContact CZ-CE1 4.37Å; F104-Y113 HydrophobicContact CZ-CE2 4.29Å; F104-Y113 AromaticContact CZ-CG 3.84Å; F104-Y113 HydrophobicContact CZ-CG 3.84Å; S109-Y113 PolarHBondContact O-N 2.97Å; L110-Y113 PolarHBondContact O-N 3.19Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.1Å; Y113-G115 VanDerWaalsContact C-N 3.27Å; Y113-G115 PolarHBondContact O-N 3.25Å; Y113-K116 PolarHBondContact O-N 2.66Å; Y113-K116 VanDerWaalsContact O-N 3.09Å; Y113-A117 HydrophobicContact CD1-CB 4.22Å; Y113-A117 HydrophobicContact CE1-CB 3.84Å; Y113-A117 WeakPolarHBondContact O-CB 3.41Å; Y113-A117 PolarHBondContact O-N 3.15Å
114L97.9Very high94.3Very high0 Ų053.9 Ų53.90%027%0.27CS..Hα-helixtrans-55.8-44.2176.5-71.8173.8000111.2V24 L29 V55 I58 L110 L111 K116 A117 L118V24-L114 HydrophobicContact CG1-CD1 4.29Å; V24-L114 HydrophobicContact CG2-CD1 4.44Å; L29-L114 HydrophobicContact CD1-CB 4.02Å; L29-L114 HydrophobicContact CD1-CD1 4.19Å; L29-L114 HydrophobicContact CD2-CB 4.38Å; V55-L114 HydrophobicContact CG1-CD1 4.13Å; V55-L114 HydrophobicContact CG1-CD2 4.2Å; I58-L114 HydrophobicContact CB-CD2 4.09Å; I58-L114 HydrophobicContact CD1-CD2 4.28Å; I58-L114 HydrophobicContact CG2-CD2 3.84Å; L110-L114 HydrophobicContact CD1-CD1 4.43Å; L110-L114 HydrophobicContact CD1-CG 4.41Å; L110-L114 HydrophobicContact CG-CD1 4.14Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.23Å; L111-L114 PolarHBondContact O-N 3.42Å; L114-K116 VanDerWaalsContact C-N 3.31Å; L114-K116 PolarHBondContact O-N 2.67Å; L114-A117 PolarHBondContact O-N 3.47Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 WeakPolarHBondContact O-CD1 3.32Å; L114-L118 WeakPolarHBondContact O-CG 3.22Å; L114-L118 PolarHBondContact O-N 3.23Å
115G97Very high93Very high4 Ų459 Ų594%0.04129%0.29CS..Hα-helixtrans-54.8-43175.400000113.8H45 V47 L111 Y113 P119H45-G115 WeakPolarHBondContact O-CA 3.41Å; V47-G115 WeakPolarHBondContact CG1-O 3.48Å; L111-G115 PolarHBondContact O-N 3.23Å; Y113-G115 VanDerWaalsContact C-N 3.27Å; Y113-G115 PolarHBondContact O-N 3.25Å; G115-P119 VanDerWaalsContact O-CD 3.31Å; G115-P119 WeakPolarHBondContact O-CD 3.43Å
116K95.5Very high91.4Very high135 Ų13561.3 Ų61.359%0.58730%0.304SS*.Hα-helixtrans-75.5-35.4177.9-67.2175.9-178.9-1770113.2S112 Y113 L114 P119S112-K116 WeakPolarHBondContact O-CG 3.31Å; S112-K116 PolarHBondContact O-N 3.31Å; Y113-K116 PolarHBondContact O-N 2.66Å; Y113-K116 VanDerWaalsContact O-N 3.09Å; L114-K116 VanDerWaalsContact C-N 3.31Å; L114-K116 PolarHBondContact O-N 2.67Å; K116-P119 WeakPolarHBondContact O-CD 3.39Å
117A96Very high89.7Confident15 Ų1562.8 Ų62.812%0.12433%0.327CS..Hα-helixtrans-82.7-29.6-173.500000113.7I58 Y113 L114 V120 V121I58-A117 HydrophobicContact CD1-CB 3.79Å; I58-A117 HydrophobicContact CG1-CB 4.32Å; I58-A117 HydrophobicContact CG2-CB 4.24Å; Y113-A117 HydrophobicContact CD1-CB 4.22Å; Y113-A117 HydrophobicContact CE1-CB 3.84Å; Y113-A117 WeakPolarHBondContact O-CB 3.41Å; Y113-A117 PolarHBondContact O-N 3.15Å; L114-A117 PolarHBondContact O-N 3.47Å; A117-V120 PolarHBondContact O-N 3.37Å; A117-V121 PolarHBondContact O-N 2.96Å; A117-V121 VanDerWaalsContact O-N 3.08Å
118L95.7Very high87.6Confident0 Ų061.7 Ų61.70%033%0.334CS..Hα-helixtrans-58.2-45-177.4-80.6168000113.9L29 V47 P50 E54 V55 I58 L114 V120 V121 R122L29-L118 HydrophobicContact CD1-CD1 4.08Å; V47-L118 HydrophobicContact CG1-CB 3.81Å; V47-L118 HydrophobicContact CG1-CD1 4.42Å; V47-L118 HydrophobicContact CG2-CB 4.24Å; V47-L118 HydrophobicContact CG2-CD1 3.66Å; P50-L118 HydrophobicContact CB-CD1 4.27Å; E54-L118 HydrophobicContact CB-CD2 3.31Å; E54-L118 HydrophobicContact CG-CD2 4.44Å; V55-L118 HydrophobicContact CG2-CD1 4.39Å; V55-L118 HydrophobicContact CG2-CD2 4.22Å; I58-L118 HydrophobicContact CD1-CD2 3.73Å; I58-L118 HydrophobicContact CD1-CG 3.86Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 WeakPolarHBondContact O-CD1 3.32Å; L114-L118 WeakPolarHBondContact O-CG 3.22Å; L114-L118 PolarHBondContact O-N 3.23Å; L118-V120 VanDerWaalsContact C-N 3.31Å; L118-V120 PolarHBondContact O-N 3.03Å; L118-V121 WeakPolarHBondContact O-CB 3.22Å; L118-V121 PolarHBondContact O-N 2.8Å; L118-R122 PolarHBondContact O-N 2.94Å; L118-R122 VanDerWaalsContact O-N 3.15Å
119P93.2Very high84.8Confident67 Ų6762.6 Ų62.644%0.43535%0.352SS..Hα-helixtrans-61.8-37.8176.4-23.736.3000112.9V47 G115 K116 V121 R122 S123V47-P119 HydrophobicContact CG1-CG 3.7Å; G115-P119 VanDerWaalsContact O-CD 3.31Å; G115-P119 WeakPolarHBondContact O-CD 3.43Å; K116-P119 WeakPolarHBondContact O-CD 3.39Å; P119-V121 VanDerWaalsContact C-N 3.3Å; P119-V121 PolarHBondContact O-N 3.21Å; P119-R122 PolarHBondContact O-N 3.46Å; P119-S123 PolarHBondContact O-N 3.4Å; P119-S123 VanDerWaalsContact O-N 3.13Å
120V91.3Very high82.3Confident73 Ų7366 Ų6644%0.44238%0.376SS..Hα-helixtrans-69.1-29.2179-168.80000112A117 L118 S123 R124A117-V120 PolarHBondContact O-N 3.37Å; L118-V120 VanDerWaalsContact C-N 3.31Å; L118-V120 PolarHBondContact O-N 3.03Å; V120-S123 PolarHBondContact O-OG 2.75Å; V120-S123 VanDerWaalsContact O-OG 3.12Å; V120-R124 PolarHBondContact O-NE 2.96Å
121V89.8Confident79.6Confident5 Ų571 Ų713%0.0341%0.41CS..Hα-helixtrans-70.5-40.2172.4153.10000111.3E54 M57 I58 A117 L118 P119 R124E54-V121 HydrophobicContact CB-CG1 4.1Å; E54-V121 HydrophobicContact CG-CG1 4.16Å; M57-V121 HydrophobicContact CE-CB 3.81Å; M57-V121 HydrophobicContact CE-CG1 3.17Å; M57-V121 HydrophobicContact CE-CG2 3.35Å; I58-V121 HydrophobicContact CD1-CG2 4.01Å; I58-V121 HydrophobicContact CG1-CG2 3.7Å; A117-V121 PolarHBondContact O-N 2.96Å; A117-V121 VanDerWaalsContact O-N 3.08Å; L118-V121 WeakPolarHBondContact O-CB 3.22Å; L118-V121 PolarHBondContact O-N 2.8Å; P119-V121 VanDerWaalsContact C-N 3.3Å; P119-V121 PolarHBondContact O-N 3.21Å; V121-R124 PolarHBondContact O-N 3.44Å
122R88.3Confident76.6Confident73 Ų7376.5 Ų76.528%0.27545%0.449SS..Hα-helixtrans-66.6-42.1-179.2-74.4-180177.8176.34.7112.9D48 N49 E54 L118 P119 R124 R125D48-R122 VanDerWaalsContact O-CZ 3.24Å; D48-R122 PolarHBondContact O-NH1 3.34Å; D48-R122 PolarHBondContact O-NH2 2.79Å; N49-R122 PolarHBondContact O-NH2 2.85Å; E54-R122 VanDerWaalsContact OE1-CG 3.23Å; E54-R122 WeakPolarHBondContact OE1-CG 3.49Å; E54-R122 IonicContact OE1-CZ 3.06Å; E54-R122 IonicContact OE1-NE 2.59Å; E54-R122 PolarHBondContact OE1-NE 3.04Å; E54-R122 IonicContact OE1-NH2 2.76Å; E54-R122 IonicContact OE2-CZ 2.91Å; E54-R122 IonicContact OE2-NE 2.63Å; E54-R122 PolarHBondContact OE2-NE 2.84Å; E54-R122 VanDerWaalsContact OE2-NE 3.13Å; E54-R122 IonicContact OE2-NH2 2.85Å; E54-R122 PolarHBondContact OE2-NH2 3.06Å; L118-R122 PolarHBondContact O-N 2.94Å; L118-R122 VanDerWaalsContact O-N 3.15Å; P119-R122 PolarHBondContact O-N 3.46Å; R122-R124 PolarHBondContact O-N 3.07Å; R122-R125 PolarHBondContact O-N 2.73Å
123S85.5Confident73.9Confident96 Ų9681.6 Ų81.667%0.67148%0.479SS*.Hα-helixtrans-63.3-23178.761.50000113.6P119 V120P119-S123 PolarHBondContact O-N 3.4Å; P119-S123 VanDerWaalsContact O-N 3.13Å; V120-S123 PolarHBondContact O-OG 2.75Å; V120-S123 VanDerWaalsContact O-OG 3.12Å
124R77Confident71.1Confident152 Ų15282 Ų8257%0.57449%0.492SS*.THydrogen-bonded Turntrans-85.5-8.8179.1-74.6-175.4-82.1-160.3-3.3114.3V120 V121 R122 P126V120-R124 PolarHBondContact O-NE 2.96Å; V121-R124 PolarHBondContact O-N 3.44Å; R122-R124 PolarHBondContact O-N 3.07Å; R124-P126 WeakPolarHBondContact O-CD 3.27Å
125R70.3Confident68.3Low114 Ų11490.6 Ų90.643%0.4353%0.532SS..SBendtrans-74.3120.6174.2-75-177.1165.2163.2-6.6107.9S53 E54 R122 A127S53-R125 PolarHBondContact OG-NH2 2.89Å; E54-R125 IonicContact OE1-NH1 3.97Å; E54-R125 PolarHBondContact OE1-NH1 3.04Å; R122-R125 PolarHBondContact O-N 2.73Å; R125-A127 PolarHBondContact O-N 3.42Å
126P62.1Low65.7Low98 Ų9897.3 Ų97.364%0.63656%0.562SS**  trans-55.4142.1168.824.2-30.8000107.6R124 T128R124-P126 WeakPolarHBondContact O-CD 3.27Å; P126-T128 HydrophobicContact CG-CG2 4.39Å; P126-T128 PolarHBondContact O-N 2.92Å; P126-T128 PolarHBondContact O-OG1 2.86Å
127A60.4Low63.1Low108 Ų10896.9 Ų96.989%0.89357%0.571SS**  trans-66.869.4178.800000110.2R125 S129R125-A127 PolarHBondContact O-N 3.42Å; A127-S129 VanDerWaalsContact C-N 3.28Å; A127-S129 PolarHBondContact O-N 3.38Å
128T53Low60.4Low101 Ų101104.4 Ų104.462%0.6260%0.601SS**  trans-80.286.1170.846.50000107.6P126 S130P126-T128 HydrophobicContact CG-CG2 4.39Å; P126-T128 PolarHBondContact O-N 2.92Å; P126-T128 PolarHBondContact O-OG1 2.86Å; T128-S130 PolarHBondContact O-N 3.29Å; T128-S130 PolarHBondContact O-OG 2.83Å
129S38.7Very low57.8Low118 Ų118113.3 Ų113.383%0.82564%0.642SS**  trans29.480.214142.70000115.4A127A127-S129 VanDerWaalsContact C-N 3.28Å; A127-S129 PolarHBondContact O-N 3.38Å
130S45.6Very low55.3Low105 Ų105114 Ų11473%0.73466%0.662SS**  trans-147.4102.1158.836.60000112.1T128T128-S130 PolarHBondContact O-N 3.29Å; T128-S130 PolarHBondContact O-OG 2.83Å
131S41.5Very low53Low103 Ų103120.1 Ų120.172%0.7268%0.683SS**  trans83.577.8144.6-41.80000117.5T133S131-T133 PolarHBondContact O-N 3.33Å
132S34.9Very low50.6Low117 Ų117128.9 Ų128.982%0.81872%0.72SS**  trans-41.9103.7143.248.30000110T134S132-T134 PolarHBondContact O-N 2.98Å
133T40.8Very low48.5Very low135 Ų135132.7 Ų132.783%0.82875%0.746SS**  trans-83.7106.5156.1-53.30000105S131 E135S131-T133 PolarHBondContact O-N 3.33Å; T133-E135 PolarHBondContact O-N 2.95Å; T133-E135 VanDerWaalsContact O-N 3.14Å
134T38.2Very low46.6Very low104 Ų104137.3 Ų137.364%0.63875%0.754SS**  trans-47.7111.6-178.4-46.10000111.1S132 Q136S132-T134 PolarHBondContact O-N 2.98Å; T134-Q136 VanDerWaalsContact C-N 3.26Å; T134-Q136 HydrophobicContact CG2-CG 3.72Å; T134-Q136 PolarHBondContact O-N 3.1Å
135E38.9Very low45.2Very low180 Ų180141 Ų14184%0.84177%0.768SS**  trans-6592.2153.5-74.3-176.214500107.2T133 T137T133-E135 PolarHBondContact O-N 2.95Å; T133-E135 VanDerWaalsContact O-N 3.14Å; E135-T137 VanDerWaalsContact C-N 3.26Å; E135-T137 PolarHBondContact O-N 2.88Å; E135-T137 VanDerWaalsContact O-N 3.12Å
136Q42.2Very low43.9Very low144 Ų144145.3 Ų145.367%0.67379%0.79SS**  trans-78.685.1161.3-79.3-171.6-25.200108.2T134 F138T134-Q136 VanDerWaalsContact C-N 3.26Å; T134-Q136 HydrophobicContact CG2-CG 3.72Å; T134-Q136 PolarHBondContact O-N 3.1Å; Q136-F138 HydrophobicContact CB-CD2 4.1Å; Q136-F138 HydrophobicContact CB-CE2 4.02Å; Q136-F138 HydrophobicContact CG-CE2 4.49Å; Q136-F138 PolarHBondContact O-N 2.88Å; Q136-F138 VanDerWaalsContact O-N 3.13Å
137T41.1Very low43.4Very low126 Ų126152.4 Ų152.477%0.77380%0.804SS**  trans-67.295.9156.318.20000108.3E135 Q139E135-T137 VanDerWaalsContact C-N 3.26Å; E135-T137 PolarHBondContact O-N 2.88Å; E135-T137 VanDerWaalsContact O-N 3.12Å; T137-Q139 VanDerWaalsContact C-N 3.34Å; T137-Q139 PolarHBondContact O-N 3.17Å; T137-Q139 VanDerWaalsContact O-N 3.08Å
138F39Very low43Very low173 Ų173160.9 Ų160.976%0.75982%0.821SS**  trans-75.886.6164.5-84.9-88.3000109.4Q136Q136-F138 HydrophobicContact CB-CD2 4.1Å; Q136-F138 HydrophobicContact CB-CE2 4.02Å; Q136-F138 HydrophobicContact CG-CE2 4.49Å; Q136-F138 PolarHBondContact O-N 2.88Å; Q136-F138 VanDerWaalsContact O-N 3.13Å
139Q42.2Very low42.5Very low187 Ų187163.9 Ų163.987%0.87483%0.831SS**  trans-119.978.2157.9-84.5-170.8-7.200109.4T137 K141T137-Q139 VanDerWaalsContact C-N 3.34Å; T137-Q139 PolarHBondContact O-N 3.17Å; T137-Q139 VanDerWaalsContact O-N 3.08Å; Q139-K141 PolarHBondContact O-N 2.63Å
140G39.7Very low42.7Very low82 Ų82166.3 Ų166.385%0.84583%0.831SS**  trans-78.298.7170.100000111.3
141K44.3Very low42.6Very low201 Ų201169.7 Ų169.787%0.87484%0.837SS**  trans-56.2132.2163.7-101.2168.2175.7165.60111.2Q139Q139-K141 PolarHBondContact O-N 2.63Å
142K38.8Very low42.6Very low189 Ų189173.6 Ų173.682%0.82284%0.843SS**  trans61.6103.4131.5-132.8178-169.3177.50116.8
143N44Very low43.1Very low153 Ų153177.2 Ų177.282%0.81885%0.845SS**  trans-138106.9143.8-122.3-12.1000111.2
144K45.1Very low43.3Very low194 Ų194180 Ų18084%0.84385%0.846SS**  trans-90.5103.4171.7-175.3178.9-174.5176.50106.4
145R48.2Very low43.6Very low230 Ų230185.4 Ų185.487%0.86886%0.861SS**  trans-122.2102.8166.8-90.6-174.9158.2168.5-4109.6
146K42.7Very low44Very low204 Ų204185.8 Ų185.889%0.88786%0.862SS**  trans-62.6130.6153.4-99-178168.6-176.10107.8
147R52.6Low44.1Very low246 Ų246189.3 Ų189.393%0.92888%0.878SS**  trans-159.7125.1149-131.9177.7164.5171.9-4.2111.1
148K51.8Low44.4Very low287 Ų287195.1 Ų195.1100%1.24889%0.888SS**  trans74.30176.4-115.9176.1177.7-176.80116.7

Retrieved 148 of 148 residues in 45.5 ms (Link to these results)

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