A0A087YKF6_POEFO Loading...

Transcription elongation factor SPT4

Component of the DRB sensitivity-inducing factor complex (DSIF complex), which regulates transcription elongation by RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A087YKF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 117 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
1M52.8Low88.2Confident194 Ų194106.3 Ų106.396%0.95653%0.533SS*.  0117.40-141.7-176.8-71.900106.4P82M1-P82 HydrophobicContact CG-CB 4.25Å
2A73.4Confident88.9Confident50 Ų50109.8 Ų109.841%0.41355%0.546SS..  trans-85.4117.4179.600000108.1E4 T5A2-E4 PolarHBondContact O-N 3.5Å; A2-E4 VanDerWaalsContact O-N 3.07Å; A2-T5 HydrophobicContact CB-CG2 4.27Å; A2-T5 PolarHBondContact O-N 3.06Å; A2-T5 PolarHBondContact O-OG1 3.18Å
3L83.1Confident89.7Confident158 Ų158103.7 Ų103.783%0.82752%0.516SS*.G310 helixtrans-55.9-24.3175.4-95.399.7000112.2T5 V6L3-T5 PolarHBondContact O-N 3.24Å; L3-V6 PolarHBondContact O-N 3.36Å; L3-V6 VanDerWaalsContact O-N 3.15Å
4E87.7Confident90.3Very high125 Ų12598.1 Ų98.158%0.58449%0.486SS*.G310 helixtrans-60.9-21.4-179.6-61173.516600113.5A2 V6 Q27A2-E4 PolarHBondContact O-N 3.5Å; A2-E4 VanDerWaalsContact O-N 3.07Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.13Å; E4-Q27 PolarHBondContact O-NE2 3.03Å; E4-Q27 VanDerWaalsContact O-NE2 3.1Å
5T92.3Very high90.9Very high8 Ų891.5 Ų91.55%0.04945%0.454CS..G310 helixtrans-79.3-13.1178.564.80000113.9A2 L3 D34 P82A2-T5 HydrophobicContact CB-CG2 4.27Å; A2-T5 PolarHBondContact O-N 3.06Å; A2-T5 PolarHBondContact O-OG1 3.18Å; L3-T5 PolarHBondContact O-N 3.24Å; T5-D34 HydrophobicContact CG2-CB 4.28Å; T5-D34 WeakPolarHBondContact CG2-OD1 3.4Å; T5-P82 PolarHBondContact OG1-O 3.43Å
6V96.4Very high91.4Very high78 Ų7885.8 Ų85.847%0.47343%0.425SS..SBendtrans-87135.7-178.4-177.40000109.1L3 E4 K8 Q27L3-V6 PolarHBondContact O-N 3.36Å; L3-V6 VanDerWaalsContact O-N 3.15Å; E4-V6 VanDerWaalsContact C-N 3.32Å; E4-V6 PolarHBondContact O-N 3.13Å; V6-K8 PolarHBondContact O-N 3.47Å; V6-Q27 PolarHBondContact O-NE2 2.93Å
7P97.4Very high91.8Very high25 Ų2581.3 Ų81.316%0.16240%0.403CS..  trans-54.1124.4173.2-23.731.2000112D9 L13 V22 V84P7-D9 VanDerWaalsContact C-N 3.25Å; P7-D9 PolarHBondContact O-N 2.81Å; P7-L13 HydrophobicContact CB-CD2 3.62Å; P7-L13 HydrophobicContact CG-CD2 4.18Å; P7-V22 HydrophobicContact CG-CG1 4.32Å; P7-V22 WeakPolarHBondContact CG-O 3.42Å; P7-V84 HydrophobicContact CG-CB 4.15Å; P7-V84 HydrophobicContact CG-CG2 4.19Å
8K96Very high92.2Very high116 Ų11677.6 Ų77.650%0.50439%0.385SS..SBendtrans-65.8-28.8-17866.5177.3-172.5-175.60113.1V6 T24 D26 Q27V6-K8 PolarHBondContact O-N 3.47Å; K8-T24 HydrophobicContact CD-CG2 4.42Å; K8-T24 WeakPolarHBondContact CE-OG1 3.49Å; K8-T24 HydrophobicContact CG-CG2 3.64Å; K8-D26 IonicContact NZ-OD2 2.73Å; K8-D26 PolarHBondContact NZ-OD2 2.86Å; K8-Q27 HydrophobicContact CD-CG 4.33Å; K8-Q27 HydrophobicContact CG-CG 4.44Å
9D96.4Very high92.5Very high66 Ų6673.7 Ų73.735%0.35337%0.366SS..SBendtrans-156.6178.4177.465.366000109.7P7 R11 L13P7-D9 VanDerWaalsContact C-N 3.25Å; P7-D9 PolarHBondContact O-N 2.81Å; D9-R11 WeakPolarHBondContact OD1-CA 3.46Å; D9-R11 WeakPolarHBondContact OD1-CB 3.44Å; D9-R11 PolarHBondContact OD1-N 3.03Å; D9-L13 WeakPolarHBondContact O-CD2 3.47Å
10L97.1Very high92.8Very high155 Ų15570.4 Ų70.481%0.81235%0.35SS*.SBendtrans-95.21.5-177.6-58.4-179.7000113.9L13L10-L13 HydrophobicContact CD2-CD1 4.3Å
11R97.2Very high93.1Very high194 Ų19467 Ų6773%0.73233%0.334SS*.THydrogen-bonded Turntrans-91144.3-179.3-60.9-175.3-179-155.90.9109.8D9 L13D9-R11 WeakPolarHBondContact OD1-CA 3.46Å; D9-R11 WeakPolarHBondContact OD1-CB 3.44Å; D9-R11 PolarHBondContact OD1-N 3.03Å; R11-L13 PolarHBondContact O-N 3.21Å
12H97.4Very high95.3Very high148 Ų14857.8 Ų57.869%0.68529%0.288SS*.THydrogen-bonded Turntrans50.737176.3-52-63.2000113.7I25H12-I25 HydrophobicContact CB-CG2 3.85Å; H12-I25 PolarHBondContact O-N 3.41Å; H12-I25 VanDerWaalsContact O-N 3.1Å
13L98.6Very high96.5Very high31 Ų3155.4 Ų55.416%0.16227%0.268CS..EExtended strand (participates in β ladder)trans-63.4141172.1-67.8179.3000110P7 D9 L10 R11 V22 T24 F57P7-L13 HydrophobicContact CB-CD2 3.62Å; P7-L13 HydrophobicContact CG-CD2 4.18Å; D9-L13 WeakPolarHBondContact O-CD2 3.47Å; L10-L13 HydrophobicContact CD2-CD1 4.3Å; R11-L13 PolarHBondContact O-N 3.21Å; L13-V22 HydrophobicContact CB-CG1 4.22Å; L13-V22 HydrophobicContact CD1-CG1 4.4Å; L13-V22 HydrophobicContact CD2-CG1 4.13Å; L13-V22 HydrophobicContact CG-CG1 4.5Å; L13-T24 HydrophobicContact CD2-CG2 4.08Å; L13-F57 HydrophobicContact CB-CE1 3.89Å; L13-F57 HydrophobicContact CB-CZ 3.8Å; L13-F57 HydrophobicContact CD1-CZ 4.24Å
14R98.8Very high97.2Very high25 Ų2548 Ų489%0.09423%0.23CC..EExtended strand (participates in β ladder)trans-136.2149.1175.4-52.3-17468.281.60.8109.1V22 K23 I25 F28 T53 S54R14-V22 VanDerWaalsContact O-CA 3.29Å; R14-V22 WeakPolarHBondContact O-CA 3.11Å; R14-K23 PolarHBondContact N-O 3.33Å; R14-K23 PolarHBondContact O-N 3.4Å; R14-I25 HydrophobicContact CG-CB 4.38Å; R14-F28 HydrophobicContact CB-CD2 4.41Å; R14-F28 HydrophobicContact CB-CE2 4.22Å; R14-F28 WeakPolarHBondContact O-CE2 3.37Å; R14-T53 WeakPolarHBondContact CD-OG1 3.46Å; R14-T53 PolarHBondContact NE-OG1 2.96Å; R14-T53 PolarHBondContact NH2-O 3.4Å; R14-S54 CarbonylContact C-O 3.59Å; R14-S54 VanDerWaalsContact CA-O 3.22Å; R14-S54 WeakPolarHBondContact CA-O 3.44Å
15A98.9Very high97.8Very high0 Ų042.3 Ų42.30%020%0.203CC..EExtended strand (participates in β ladder)trans-111131.7175.300000110.3L17 L21 V22 T53 S54 F57 A86 V89A15-L17 PolarHBondContact O-N 3.05Å; A15-L21 CarbonylContact C-O 3.56Å; A15-L21 WeakPolarHBondContact CA-O 3.3Å; A15-V22 HydrophobicContact CB-CG2 3.99Å; A15-T53 CarbonylContact O-C 3.53Å; A15-T53 VanDerWaalsContact O-CA 3.25Å; A15-T53 WeakPolarHBondContact O-CA 3.32Å; A15-T53 WeakPolarHBondContact O-CB 3.49Å; A15-S54 PolarHBondContact N-O 3.41Å; A15-S54 PolarHBondContact O-N 3.25Å; A15-F57 HydrophobicContact CB-CB 3.86Å; A15-F57 HydrophobicContact CB-CD1 3.95Å; A15-F57 HydrophobicContact CB-CG 3.92Å; A15-A86 HydrophobicContact CB-CB 3.83Å; A15-V89 HydrophobicContact CB-CB 4.39Å; A15-V89 HydrophobicContact CB-CG1 3.86Å; A15-V89 HydrophobicContact CB-CG2 3.6Å
16C98.8Very high98Very high0 Ų045.2 Ų45.20%022%0.218CC..EExtended strand (participates in β ladder)trans-63.9128.5177.6179.50000111L18 C19 S20 L21 F28C16-L18 PolarHBondContact O-N 3.26Å; C16-L18 PolarHBondContact SG-N 2.63Å; C16-C19 VanDerWaalsContact SG-SG 3.67Å; C16-S20 WeakPolarHBondContact O-CA 3.22Å; C16-S20 PolarHBondContact O-N 3.08Å; C16-L21 HydrophobicContact CB-CB 4.48Å; C16-L21 PolarHBondContact N-O 2.9Å; C16-F28 HydrophobicContact CB-CE1 4.41Å; C16-F28 HydrophobicContact CB-CZ 4.36Å
17L98.8Very high98.1Very high9 Ų942.4 Ų42.45%0.04720%0.2CC..THydrogen-bonded Turntrans-70.1-15.5-178.5-71.9166000113.2A15 E51 C52 V89 L93 Y108 R111A15-L17 PolarHBondContact O-N 3.05Å; L17-E51 WeakPolarHBondContact CD1-O 3.49Å; L17-C52 WeakPolarHBondContact CB-O 3.41Å; L17-C52 PolarHBondContact N-O 2.69Å; L17-V89 HydrophobicContact CD2-CG1 3.77Å; L17-L93 HydrophobicContact CB-CD2 3.68Å; L17-L93 HydrophobicContact CB-CG 3.84Å; L17-L93 HydrophobicContact CD1-CD2 4.22Å; L17-Y108 WeakPolarHBondContact O-CE2 3.41Å; L17-R111 WeakPolarHBondContact O-CG 3.38Å
18L98.5Very high98.2Very high15 Ų1541.2 Ų41.28%0.07919%0.192CC..THydrogen-bonded Turntrans-93.5-41.4178.6-172.655.6000113.5C16 C36 L40 L93 L101 Y108 R111C16-L18 PolarHBondContact O-N 3.26Å; C16-L18 PolarHBondContact SG-N 2.63Å; L18-C36 HydrophobicContact CD2-CB 4.04Å; L18-L40 HydrophobicContact CB-CD1 4.03Å; L18-L40 HydrophobicContact CD2-CD1 4.13Å; L18-L40 HydrophobicContact CD2-CD2 4.19Å; L18-L40 HydrophobicContact CD2-CG 4.15Å; L18-L93 HydrophobicContact CB-CD1 4.22Å; L18-L93 HydrophobicContact CD1-CD1 4.29Å; L18-L101 HydrophobicContact CD1-CD1 4.05Å; L18-L101 HydrophobicContact CD2-CD1 4.11Å; L18-L101 HydrophobicContact CD2-CD2 4.09Å; L18-Y108 HydrophobicContact CD1-CD2 3.92Å; L18-R111 VanDerWaalsContact O-CZ 3.31Å; L18-R111 PolarHBondContact O-NE 3.21Å; L18-R111 PolarHBondContact O-NH2 3.41Å
19C98.5Very high98.3Very high4 Ų438.5 Ų38.53%0.02718%0.182CC..THydrogen-bonded Turntrans-125.6-0.6-172.270.80000115.6C16 L21 N35 C36 Y85C16-C19 VanDerWaalsContact SG-SG 3.67Å; C19-L21 PolarHBondContact O-N 3.42Å; C19-L21 VanDerWaalsContact SG-CB 3.6Å; C19-N35 HydrophobicContact CB-CB 4.1Å; C19-C36 WeakPolarHBondContact CB-SG 3.02Å; C19-C36 PolarHBondContact SG-SG 3.22Å; C19-Y85 VanDerWaalsContact O-CD1 3.3Å; C19-Y85 WeakPolarHBondContact O-CD1 3.4Å; C19-Y85 WeakPolarHBondContact O-CE1 3.16Å
20S98.8Very high98.3Very high6 Ų644 Ų444%0.04220%0.198CC..  trans61.77.3-175.871.90000117.5C16 V22 Y85 A86C16-S20 WeakPolarHBondContact O-CA 3.22Å; C16-S20 PolarHBondContact O-N 3.08Å; S20-V22 PolarHBondContact O-N 3.33Å; S20-Y85 CarbonylContact O-C 3.46Å; S20-Y85 VanDerWaalsContact O-CA 3.3Å; S20-Y85 WeakPolarHBondContact O-CA 3.4Å; S20-A86 PolarHBondContact O-N 3.21Å
21L98.8Very high98.3Very high1 Ų138.7 Ų38.71%0.00517%0.171CC..BIsolated β-bridgetrans-55.2134.8172.5-176.373.3000110.3A15 C16 C19 K23 F28 D34 V84 Y85A15-L21 CarbonylContact C-O 3.56Å; A15-L21 WeakPolarHBondContact CA-O 3.3Å; C16-L21 HydrophobicContact CB-CB 4.48Å; C16-L21 PolarHBondContact N-O 2.9Å; C19-L21 PolarHBondContact O-N 3.42Å; C19-L21 VanDerWaalsContact SG-CB 3.6Å; L21-K23 HydrophobicContact CD2-CD 4.19Å; L21-K23 HydrophobicContact CD2-CG 4.29Å; L21-K23 HydrophobicContact CG-CG 4.3Å; L21-F28 HydrophobicContact CD2-CE1 4.46Å; L21-F28 WeakPolarHBondContact O-CZ 3.32Å; L21-D34 HydrophobicContact CD2-CB 3.89Å; L21-V84 CarbonylContact C-O 3.59Å; L21-V84 WeakPolarHBondContact CD1-O 3.32Å; L21-Y85 HydrophobicContact CB-CD1 4.25Å; L21-Y85 HydrophobicContact CB-CE1 3.9Å; L21-Y85 HydrophobicContact CD1-CE1 4.01Å; L21-Y85 HydrophobicContact CD1-CE2 4.14Å
22V98.8Very high98.4Very high0 Ų029.4 Ų29.40%014%0.136CC..EExtended strand (participates in β ladder)trans-108.8125.1179.5179.60000109.2P7 L13 R14 A15 S20 F57 V84 A86P7-V22 HydrophobicContact CG-CG1 4.32Å; P7-V22 WeakPolarHBondContact CG-O 3.42Å; L13-V22 HydrophobicContact CB-CG1 4.22Å; L13-V22 HydrophobicContact CD1-CG1 4.4Å; L13-V22 HydrophobicContact CD2-CG1 4.13Å; L13-V22 HydrophobicContact CG-CG1 4.5Å; R14-V22 VanDerWaalsContact O-CA 3.29Å; R14-V22 WeakPolarHBondContact O-CA 3.11Å; A15-V22 HydrophobicContact CB-CG2 3.99Å; S20-V22 PolarHBondContact O-N 3.33Å; V22-F57 HydrophobicContact CG1-CE2 4.39Å; V22-F57 HydrophobicContact CG1-CZ 4.01Å; V22-F57 HydrophobicContact CG2-CD2 4.46Å; V22-F57 HydrophobicContact CG2-CE2 4.27Å; V22-V84 HydrophobicContact CB-CB 4.46Å; V22-V84 HydrophobicContact CB-CG1 4.17Å; V22-V84 PolarHBondContact N-O 3.1Å; V22-A86 HydrophobicContact CG2-CB 3.83Å
23K98.6Very high98.4Very high0 Ų022.4 Ų22.40%010%0.104CC..EExtended strand (participates in β ladder)trans-144.6171.4170.3-58.9-165.7-62.1-178.90109.1R14 L21 Q27 F28 G32 D34R14-K23 PolarHBondContact N-O 3.33Å; R14-K23 PolarHBondContact O-N 3.4Å; L21-K23 HydrophobicContact CD2-CD 4.19Å; L21-K23 HydrophobicContact CD2-CG 4.29Å; L21-K23 HydrophobicContact CG-CG 4.3Å; K23-Q27 HydrophobicContact CB-CB 3.86Å; K23-Q27 HydrophobicContact CD-CB 4.13Å; K23-Q27 PolarHBondContact NZ-O 3.16Å; K23-F28 HydrophobicContact CB-CD2 4Å; K23-F28 HydrophobicContact CB-CE2 3.67Å; K23-F28 HydrophobicContact CB-CZ 3.97Å; K23-F28 HydrophobicContact CG-CE2 4.41Å; K23-F28 HydrophobicContact CG-CZ 4.2Å; K23-G32 WeakPolarHBondContact CE-O 3.43Å; K23-G32 PolarHBondContact NZ-O 3.05Å; K23-D34 WeakPolarHBondContact CE-OD2 3.08Å; K23-D34 IonicContact NZ-OD2 2.69Å; K23-D34 PolarHBondContact NZ-OD2 3.19Å
24T98.4Very high98.4Very high2 Ų222.5 Ų22.51%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-68.5155.5167.562.70000110.2K8 L13 D26 Q27 F28K8-T24 HydrophobicContact CD-CG2 4.42Å; K8-T24 WeakPolarHBondContact CE-OG1 3.49Å; K8-T24 HydrophobicContact CG-CG2 3.64Å; L13-T24 HydrophobicContact CD2-CG2 4.08Å; T24-D26 PolarHBondContact O-N 2.99Å; T24-Q27 PolarHBondContact O-N 3.03Å; T24-Q27 VanDerWaalsContact O-N 3.12Å; T24-Q27 VanDerWaalsContact OG1-CG 3.3Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.45Å; T24-Q27 PolarHBondContact OG1-N 3.11Å; T24-Q27 PolarHBondContact OG1-OE1 3.25Å; T24-F28 WeakPolarHBondContact O-CD2 3.23Å; T24-F28 PolarHBondContact O-N 3.02Å
25I98.3Very high98.4Very high6 Ų623 Ų233%0.03111%0.109CC..Hα-helixtrans-53.4-41.4176-172.8164.4000112.7H12 R14 Q27 F28 E29 R46 V49 Y50H12-I25 HydrophobicContact CB-CG2 3.85Å; H12-I25 PolarHBondContact O-N 3.41Å; H12-I25 VanDerWaalsContact O-N 3.1Å; R14-I25 HydrophobicContact CG-CB 4.38Å; I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 PolarHBondContact O-N 3.15Å; I25-F28 PolarHBondContact O-N 2.91Å; I25-E29 PolarHBondContact O-N 2.88Å; I25-R46 HydrophobicContact CD1-CG 4.48Å; I25-V49 HydrophobicContact CG1-CG1 3.95Å; I25-Y50 HydrophobicContact CD1-CD1 4.23Å; I25-Y50 HydrophobicContact CD1-CD2 4.46Å; I25-Y50 HydrophobicContact CD1-CE1 3.53Å; I25-Y50 HydrophobicContact CD1-CE2 3.8Å; I25-Y50 WeakPolarHBondContact CD1-OH 3.47Å
26D98.1Very high98.3Very high68 Ų6823.2 Ų23.236%0.36411%0.111SC..Hα-helixtrans-68.9-32.8-178.8-52.6-28.7000111.9K8 T24 F28 E29 Y30 R46K8-D26 IonicContact NZ-OD2 2.73Å; K8-D26 PolarHBondContact NZ-OD2 2.86Å; T24-D26 PolarHBondContact O-N 2.99Å; D26-F28 VanDerWaalsContact C-N 3.34Å; D26-E29 PolarHBondContact O-N 2.97Å; D26-Y30 VanDerWaalsContact O-CB 3.25Å; D26-Y30 WeakPolarHBondContact O-CB 3.2Å; D26-Y30 PolarHBondContact O-N 2.85Å; D26-R46 IonicContact OD1-CZ 3.85Å; D26-R46 IonicContact OD1-NH1 2.71Å; D26-R46 PolarHBondContact OD1-NH1 3.44Å; D26-R46 IonicContact OD1-NH2 3Å
27Q98.3Very high98.2Very high19 Ų1925.3 Ų25.39%0.08912%0.12CC..Hα-helixtrans-68.5-34.1174.8-76.9174.7-81.200112.1E4 V6 K8 K23 T24 I25 D31E4-Q27 PolarHBondContact O-NE2 3.03Å; E4-Q27 VanDerWaalsContact O-NE2 3.1Å; V6-Q27 PolarHBondContact O-NE2 2.93Å; K8-Q27 HydrophobicContact CD-CG 4.33Å; K8-Q27 HydrophobicContact CG-CG 4.44Å; K23-Q27 HydrophobicContact CB-CB 3.86Å; K23-Q27 HydrophobicContact CD-CB 4.13Å; K23-Q27 PolarHBondContact NZ-O 3.16Å; T24-Q27 PolarHBondContact O-N 3.03Å; T24-Q27 VanDerWaalsContact O-N 3.12Å; T24-Q27 VanDerWaalsContact OG1-CG 3.3Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.45Å; T24-Q27 PolarHBondContact OG1-N 3.11Å; T24-Q27 PolarHBondContact OG1-OE1 3.25Å; I25-Q27 VanDerWaalsContact C-N 3.33Å; I25-Q27 PolarHBondContact O-N 3.15Å; Q27-D31 WeakPolarHBondContact O-CB 3.47Å; Q27-D31 PolarHBondContact O-N 2.94Å
28F98.5Very high98Very high0 Ų028.6 Ų28.60%014%0.144CC..Hα-helixtrans-69.8-38.5171.5-78.7-64.5000112R14 C16 L21 K23 T24 I25 D26 G32 C33 M42 V49 T53R14-F28 HydrophobicContact CB-CD2 4.41Å; R14-F28 HydrophobicContact CB-CE2 4.22Å; R14-F28 WeakPolarHBondContact O-CE2 3.37Å; C16-F28 HydrophobicContact CB-CE1 4.41Å; C16-F28 HydrophobicContact CB-CZ 4.36Å; L21-F28 HydrophobicContact CD2-CE1 4.46Å; L21-F28 WeakPolarHBondContact O-CZ 3.32Å; K23-F28 HydrophobicContact CB-CD2 4Å; K23-F28 HydrophobicContact CB-CE2 3.67Å; K23-F28 HydrophobicContact CB-CZ 3.97Å; K23-F28 HydrophobicContact CG-CE2 4.41Å; K23-F28 HydrophobicContact CG-CZ 4.2Å; T24-F28 WeakPolarHBondContact O-CD2 3.23Å; T24-F28 PolarHBondContact O-N 3.02Å; I25-F28 PolarHBondContact O-N 2.91Å; D26-F28 VanDerWaalsContact C-N 3.34Å; F28-G32 WeakPolarHBondContact O-CA 3.37Å; F28-G32 PolarHBondContact O-N 3.21Å; F28-C33 HydrophobicContact CD1-CB 4.19Å; F28-C33 HydrophobicContact CE1-CB 3.98Å; F28-M42 HydrophobicContact CB-SD 4.14Å; F28-M42 HydrophobicContact CD1-SD 3.66Å; F28-M42 HydrophobicContact CE1-SD 4.44Å; F28-M42 HydrophobicContact CG-SD 4.2Å; F28-V49 HydrophobicContact CB-CB 4.39Å; F28-V49 HydrophobicContact CB-CG1 3.56Å; F28-V49 HydrophobicContact CB-CG2 3.87Å; F28-V49 HydrophobicContact CG-CG1 4.31Å; F28-T53 HydrophobicContact CD1-CG2 4.31Å; F28-T53 HydrophobicContact CD2-CG2 4.13Å; F28-T53 HydrophobicContact CE1-CG2 4.35Å; F28-T53 HydrophobicContact CE2-CG2 4.15Å; F28-T53 HydrophobicContact CG-CG2 4.21Å; F28-T53 HydrophobicContact CZ-CG2 4.26Å
29E98.3Very high97.8Very high60 Ų6032.3 Ų32.328%0.2816%0.158SC..Hα-helixtrans-67.3-41.7176.8-176.3175.2-173.700111.5I25 D26 G44 R46 V49I25-E29 PolarHBondContact O-N 2.88Å; D26-E29 PolarHBondContact O-N 2.97Å; E29-G44 PolarHBondContact O-N 3.47Å; E29-R46 HydrophobicContact CG-CB 4.33Å; E29-R46 WeakPolarHBondContact OE2-CD 3.45Å; E29-R46 IonicContact OE2-CZ 3.9Å; E29-R46 IonicContact OE2-NE 3.92Å; E29-R46 IonicContact OE2-NH1 2.81Å; E29-R46 PolarHBondContact OE2-NH1 3.44Å; E29-V49 HydrophobicContact CB-CG2 4.31Å
30Y97.5Very high97.7Very high180 Ų18032.2 Ų32.271%0.70616%0.157SC*.Hα-helixtrans-77.6-45.7-176.2-169.9-104000113.1D26 K43D26-Y30 VanDerWaalsContact O-CB 3.25Å; D26-Y30 WeakPolarHBondContact O-CB 3.2Å; D26-Y30 PolarHBondContact O-N 2.85Å; Y30-K43 WeakPolarHBondContact O-CE 3.33Å; Y30-K43 WeakPolarHBondContact O-CG 3.25Å
31D97.3Very high97.6Very high44 Ų4437.4 Ų37.424%0.23518%0.18CC..Hα-helixtrans-108.7-12.5-172.5-61.8-48.5000113.9Q27Q27-D31 WeakPolarHBondContact O-CB 3.47Å; Q27-D31 PolarHBondContact O-N 2.94Å
32G98.1Very high97.5Very high0 Ų037.4 Ų37.40%018%0.18CC..  trans75.7-165.8-169.400000112.6K23 F28 E37K23-G32 WeakPolarHBondContact CE-O 3.43Å; K23-G32 PolarHBondContact NZ-O 3.05Å; F28-G32 WeakPolarHBondContact O-CA 3.37Å; F28-G32 PolarHBondContact O-N 3.21Å; G32-E37 WeakPolarHBondContact CA-OE2 3.47Å
33C98.3Very high97.4Very high1 Ų143.4 Ų43.41%0.00721%0.206CC..  trans-92.7121.1173.41790000111.4F28 N35 C36 E37 M42F28-C33 HydrophobicContact CD1-CB 4.19Å; F28-C33 HydrophobicContact CE1-CB 3.98Å; C33-N35 PolarHBondContact O-N 3.32Å; C33-C36 HydrophobicContact CB-CB 3.94Å; C33-C36 PolarHBondContact O-N 3.37Å; C33-E37 PolarHBondContact N-OE2 2.94Å; C33-E37 VanDerWaalsContact O-CB 3.3Å; C33-E37 WeakPolarHBondContact O-CB 3.47Å; C33-E37 PolarHBondContact O-N 3.31Å; C33-M42 HydrophobicContact CB-CE 3.82Å; C33-M42 HydrophobicContact CB-SD 4.04Å
34D98.1Very high97.4Very high33 Ų3346.5 Ų46.518%0.17624%0.238CC..THydrogen-bonded Turntrans-56-25.5-175.3-66.4-92.3000115.3T5 L21 K23 K81T5-D34 HydrophobicContact CG2-CB 4.28Å; T5-D34 WeakPolarHBondContact CG2-OD1 3.4Å; L21-D34 HydrophobicContact CD2-CB 3.89Å; K23-D34 WeakPolarHBondContact CE-OD2 3.08Å; K23-D34 IonicContact NZ-OD2 2.69Å; K23-D34 PolarHBondContact NZ-OD2 3.19Å; D34-K81 HydrophobicContact CB-CD 3.96Å; D34-K81 WeakPolarHBondContact O-CD 3.46Å; D34-K81 VanDerWaalsContact O-CE 3.23Å; D34-K81 WeakPolarHBondContact O-CE 3.49Å; D34-K81 PolarHBondContact O-NZ 3.4Å
35N97.9Very high97.4Very high35 Ų3549.4 Ų49.419%0.18725%0.254CS..THydrogen-bonded Turntrans-99.9-25.4178.4-61-55.8000113.7C19 C33 C80 K81 Y85C19-N35 HydrophobicContact CB-CB 4.1Å; C33-N35 PolarHBondContact O-N 3.32Å; N35-C80 WeakPolarHBondContact OD1-CA 3.37Å; N35-C80 WeakPolarHBondContact OD1-CB 3.48Å; N35-K81 PolarHBondContact OD1-N 3.02Å; N35-Y85 PolarHBondContact ND2-OH 2.81Å
36C98.1Very high97.4Very high5 Ų553.1 Ų53.13%0.03427%0.267CS..THydrogen-bonded Turntrans-124.9-2-161.3-57.90000114.1L18 C19 C33 S38 Y39 L40L18-C36 HydrophobicContact CD2-CB 4.04Å; C19-C36 WeakPolarHBondContact CB-SG 3.02Å; C19-C36 PolarHBondContact SG-SG 3.22Å; C33-C36 HydrophobicContact CB-CB 3.94Å; C33-C36 PolarHBondContact O-N 3.37Å; C36-S38 VanDerWaalsContact C-N 3.27Å; C36-S38 PolarHBondContact O-N 2.98Å; C36-Y39 PolarHBondContact O-N 2.93Å; C36-L40 HydrophobicContact CB-CD1 3.58Å; C36-L40 HydrophobicContact CB-CG 3.95Å; C36-L40 PolarHBondContact O-N 2.75Å
37E96.4Very high97.4Very high44 Ų4457 Ų5721%0.20628%0.283CS..Hα-helixtrans-60.2-35.9-170.5-169.555-15400113.6G32 C33 Y39 Q41 M42 K43G32-E37 WeakPolarHBondContact CA-OE2 3.47Å; C33-E37 PolarHBondContact N-OE2 2.94Å; C33-E37 VanDerWaalsContact O-CB 3.3Å; C33-E37 WeakPolarHBondContact O-CB 3.47Å; C33-E37 PolarHBondContact O-N 3.31Å; E37-Y39 PolarHBondContact O-N 2.73Å; E37-Q41 PolarHBondContact O-N 3.28Å; E37-Q41 VanDerWaalsContact OE1-C 3.27Å; E37-Q41 VanDerWaalsContact OE1-CA 3.22Å; E37-Q41 WeakPolarHBondContact OE1-CA 3.37Å; E37-M42 PolarHBondContact OE1-N 2.81Å; E37-M42 WeakPolarHBondContact OE2-CG 3.39Å; E37-M42 PolarHBondContact OE2-N 3.47Å; E37-K43 HydrophobicContact CG-CB 4.5Å; E37-K43 WeakPolarHBondContact OE1-CB 3.45Å; E37-K43 PolarHBondContact OE1-N 2.85Å
38S94.9Very high97.3Very high77 Ų7758.2 Ų58.254%0.53829%0.29SS..Hα-helixtrans-59.2-18.8174.954.10000113.9C36 R104C36-S38 VanDerWaalsContact C-N 3.27Å; C36-S38 PolarHBondContact O-N 2.98Å; S38-R104 PolarHBondContact O-NH1 3.41Å
39Y94.6Very high97.3Very high94 Ų9458.2 Ų58.237%0.36929%0.29SS..Hα-helixtrans-111.6-41.2-178.7-49.4-71.6000113.3C36 E37 L101 V106C36-Y39 PolarHBondContact O-N 2.93Å; E37-Y39 PolarHBondContact O-N 2.73Å; Y39-L101 HydrophobicContact CG-CD2 4.23Å; Y39-V106 HydrophobicContact CD1-CG2 3.66Å; Y39-V106 HydrophobicContact CE1-CG2 3.41Å; Y39-V106 VanDerWaalsContact CE1-CG2 3.41Å; Y39-V106 HydrophobicContact CE2-CG2 4.4Å; Y39-V106 HydrophobicContact CG-CG2 4.25Å
40L96.4Very high97.3Very high2 Ų261 Ų611%0.0130%0.299CS..Hα-helixtrans-93.2-22.1-172.6-62.2-179.4000113.7L18 C36 M42 M48 C52 L93 V97 L101L18-L40 HydrophobicContact CB-CD1 4.03Å; L18-L40 HydrophobicContact CD2-CD1 4.13Å; L18-L40 HydrophobicContact CD2-CD2 4.19Å; L18-L40 HydrophobicContact CD2-CG 4.15Å; C36-L40 HydrophobicContact CB-CD1 3.58Å; C36-L40 HydrophobicContact CB-CG 3.95Å; C36-L40 PolarHBondContact O-N 2.75Å; L40-M42 VanDerWaalsContact C-N 3.32Å; L40-M42 HydrophobicContact CB-CE 3.57Å; L40-M42 HydrophobicContact CD1-CE 3.47Å; L40-M42 VanDerWaalsContact CD1-CE 3.47Å; L40-M42 HydrophobicContact CG-CE 4.17Å; L40-M42 PolarHBondContact O-N 2.72Å; L40-M48 WeakPolarHBondContact O-CE 3.14Å; L40-C52 HydrophobicContact CD1-CB 4.19Å; L40-L93 HydrophobicContact CD2-CD1 4.49Å; L40-V97 HydrophobicContact CD2-CG1 3.7Å; L40-L101 HydrophobicContact CD2-CD1 4.43Å; L40-L101 HydrophobicContact CD2-CD2 4.4Å
41Q95.8Very high97.3Very high115 Ų11557.3 Ų57.354%0.53729%0.287SS..  trans47.249.5173.4-58.8-173.5-18.300113.6E37E37-Q41 PolarHBondContact O-N 3.28Å; E37-Q41 VanDerWaalsContact OE1-C 3.27Å; E37-Q41 VanDerWaalsContact OE1-CA 3.22Å; E37-Q41 WeakPolarHBondContact OE1-CA 3.37Å
42M96.8Very high97.4Very high0 Ų055.2 Ų55.20%028%0.276CS..  trans-91.8-11.3-176.970.3-173.170.400113.3F28 C33 E37 L40 G44 N45 M48 V49 C52 T53F28-M42 HydrophobicContact CB-SD 4.14Å; F28-M42 HydrophobicContact CD1-SD 3.66Å; F28-M42 HydrophobicContact CE1-SD 4.44Å; F28-M42 HydrophobicContact CG-SD 4.2Å; C33-M42 HydrophobicContact CB-CE 3.82Å; C33-M42 HydrophobicContact CB-SD 4.04Å; E37-M42 PolarHBondContact OE1-N 2.81Å; E37-M42 WeakPolarHBondContact OE2-CG 3.39Å; E37-M42 PolarHBondContact OE2-N 3.47Å; L40-M42 VanDerWaalsContact C-N 3.32Å; L40-M42 HydrophobicContact CB-CE 3.57Å; L40-M42 HydrophobicContact CD1-CE 3.47Å; L40-M42 VanDerWaalsContact CD1-CE 3.47Å; L40-M42 HydrophobicContact CG-CE 4.17Å; L40-M42 PolarHBondContact O-N 2.72Å; M42-G44 PolarHBondContact O-N 3.45Å; M42-N45 CarbonylContact O-C 3.23Å; M42-N45 PolarHBondContact O-N 2.9Å; M42-M48 HydrophobicContact CB-CB 4.04Å; M42-V49 HydrophobicContact CB-CG2 3.92Å; M42-V49 HydrophobicContact CG-CG2 4.08Å; M42-V49 HydrophobicContact SD-CG2 4.31Å; M42-C52 HydrophobicContact CE-CB 3.64Å; M42-T53 HydrophobicContact SD-CG2 4.18Å
43K97.9Very high97.4Very high126 Ų12655.3 Ų55.355%0.54828%0.277SS..THydrogen-bonded Turntrans-60.1129.2177.6179.5168.7178157.30111Y30 E37 N45Y30-K43 WeakPolarHBondContact O-CE 3.33Å; Y30-K43 WeakPolarHBondContact O-CG 3.25Å; E37-K43 HydrophobicContact CG-CB 4.5Å; E37-K43 WeakPolarHBondContact OE1-CB 3.45Å; E37-K43 PolarHBondContact OE1-N 2.85Å; K43-N45 PolarHBondContact O-N 3.44Å
44G98.1Very high97.4Very high65 Ų6556 Ų5667%0.6728%0.282SS*.THydrogen-bonded Turntrans71.65.2-176.300000114.4E29 M42E29-G44 PolarHBondContact O-N 3.47Å; M42-G44 PolarHBondContact O-N 3.45Å
45N97.8Very high97.5Very high64 Ų6458 Ų5834%0.34230%0.298SS..  trans-130.291.7-177.3-172.8-24000111.1M42 K43 E47 M48 V49M42-N45 CarbonylContact O-C 3.23Å; M42-N45 PolarHBondContact O-N 2.9Å; K43-N45 PolarHBondContact O-N 3.44Å; N45-E47 VanDerWaalsContact C-N 3.28Å; N45-E47 PolarHBondContact O-N 3.36Å; N45-E47 PolarHBondContact OD1-N 3.03Å; N45-M48 HydrophobicContact CB-CB 4.06Å; N45-M48 HydrophobicContact CB-CG 4.22Å; N45-M48 VanDerWaalsContact ND2-CG 3.32Å; N45-M48 WeakPolarHBondContact ND2-CG 3.23Å; N45-M48 PolarHBondContact O-N 3.03Å; N45-M48 PolarHBondContact OD1-N 3.06Å; N45-V49 WeakPolarHBondContact O-CG2 3.38Å; N45-V49 PolarHBondContact O-N 2.58Å; N45-V49 VanDerWaalsContact O-N 3.07Å
46R97.8Very high97.5Very high83 Ų8359.5 Ų59.531%0.31331%0.311SS..Hα-helixtrans-61.7-32.5-178.2-159.1175176.994-7.1113.5I25 D26 E29 V49 Y50I25-R46 HydrophobicContact CD1-CG 4.48Å; D26-R46 IonicContact OD1-CZ 3.85Å; D26-R46 IonicContact OD1-NH1 2.71Å; D26-R46 PolarHBondContact OD1-NH1 3.44Å; D26-R46 IonicContact OD1-NH2 3Å; E29-R46 HydrophobicContact CG-CB 4.33Å; E29-R46 WeakPolarHBondContact OE2-CD 3.45Å; E29-R46 IonicContact OE2-CZ 3.9Å; E29-R46 IonicContact OE2-NE 3.92Å; E29-R46 IonicContact OE2-NH1 2.81Å; E29-R46 PolarHBondContact OE2-NH1 3.44Å; R46-V49 WeakPolarHBondContact O-CB 3.49Å; R46-V49 PolarHBondContact O-N 3.09Å; R46-Y50 HydrophobicContact CG-CD2 4.28Å; R46-Y50 HydrophobicContact CG-CE2 3.88Å; R46-Y50 WeakPolarHBondContact O-CD2 3.23Å; R46-Y50 PolarHBondContact O-N 2.9Å
47E97.8Very high97.5Very high150 Ų15061.4 Ų61.470%0.70132%0.319SS*.Hα-helixtrans-63.8-46.5175.8-64.4-177.5168.800110.7N45 V49 Y50 E51N45-E47 VanDerWaalsContact C-N 3.28Å; N45-E47 PolarHBondContact O-N 3.36Å; N45-E47 PolarHBondContact OD1-N 3.03Å; E47-V49 VanDerWaalsContact C-N 3.26Å; E47-V49 PolarHBondContact O-N 3.32Å; E47-Y50 WeakPolarHBondContact O-CB 3.34Å; E47-Y50 PolarHBondContact O-N 3.01Å; E47-E51 PolarHBondContact O-N 2.82Å
48M97.5Very high97.6Very high45 Ų4563.8 Ų63.822%0.22233%0.333CS..Hα-helixtrans-61.6-34.4174.1-75.6-63.4-71.300112.5L40 M42 N45 E51 C52L40-M48 WeakPolarHBondContact O-CE 3.14Å; M42-M48 HydrophobicContact CB-CB 4.04Å; N45-M48 HydrophobicContact CB-CB 4.06Å; N45-M48 HydrophobicContact CB-CG 4.22Å; N45-M48 VanDerWaalsContact ND2-CG 3.32Å; N45-M48 WeakPolarHBondContact ND2-CG 3.23Å; N45-M48 PolarHBondContact O-N 3.03Å; N45-M48 PolarHBondContact OD1-N 3.06Å; M48-E51 PolarHBondContact O-N 3.22Å; M48-C52 WeakPolarHBondContact O-CB 3.45Å; M48-C52 PolarHBondContact O-N 2.99Å; M48-C52 PolarHBondContact O-SG 3.16Å; M48-C52 VanDerWaalsContact O-SG 3.41Å
49V98.6Very high97.7Very high0 Ų062.3 Ų62.30%033%0.33CS..Hα-helixtrans-60.3-46.1171.8176.90000110.6I25 F28 E29 M42 N45 R46 E47 E51 C52 T53I25-V49 HydrophobicContact CG1-CG1 3.95Å; F28-V49 HydrophobicContact CB-CB 4.39Å; F28-V49 HydrophobicContact CB-CG1 3.56Å; F28-V49 HydrophobicContact CB-CG2 3.87Å; F28-V49 HydrophobicContact CG-CG1 4.31Å; E29-V49 HydrophobicContact CB-CG2 4.31Å; M42-V49 HydrophobicContact CB-CG2 3.92Å; M42-V49 HydrophobicContact CG-CG2 4.08Å; M42-V49 HydrophobicContact SD-CG2 4.31Å; N45-V49 WeakPolarHBondContact O-CG2 3.38Å; N45-V49 PolarHBondContact O-N 2.58Å; N45-V49 VanDerWaalsContact O-N 3.07Å; R46-V49 WeakPolarHBondContact O-CB 3.49Å; R46-V49 PolarHBondContact O-N 3.09Å; E47-V49 VanDerWaalsContact C-N 3.26Å; E47-V49 PolarHBondContact O-N 3.32Å; V49-E51 VanDerWaalsContact C-N 3.34Å; V49-E51 PolarHBondContact O-N 3.2Å; V49-C52 PolarHBondContact O-N 3.33Å; V49-T53 HydrophobicContact CG1-CG2 4.34Å; V49-T53 WeakPolarHBondContact O-CB 3.47Å; V49-T53 WeakPolarHBondContact O-CG2 3.3Å; V49-T53 PolarHBondContact O-N 3.25Å; V49-T53 VanDerWaalsContact O-N 3.09Å; V49-T53 PolarHBondContact O-OG1 3.07Å
50Y98.4Very high97.9Very high119 Ų11962 Ų6247%0.46734%0.338SS..Hα-helixtrans-62.2-38.8177.6-78.1-70000112.8I25 R46 E47I25-Y50 HydrophobicContact CD1-CD1 4.23Å; I25-Y50 HydrophobicContact CD1-CD2 4.46Å; I25-Y50 HydrophobicContact CD1-CE1 3.53Å; I25-Y50 HydrophobicContact CD1-CE2 3.8Å; I25-Y50 WeakPolarHBondContact CD1-OH 3.47Å; R46-Y50 HydrophobicContact CG-CD2 4.28Å; R46-Y50 HydrophobicContact CG-CE2 3.88Å; R46-Y50 WeakPolarHBondContact O-CD2 3.23Å; R46-Y50 PolarHBondContact O-N 2.9Å; E47-Y50 WeakPolarHBondContact O-CB 3.34Å; E47-Y50 PolarHBondContact O-N 3.01Å
51E97.8Very high98Very high101 Ų10163.3 Ų63.347%0.47235%0.346SS..Hα-helixtrans-74.2-34.5179.3-67.6-167.3169.300113.7L17 E47 M48 V49 P94L17-E51 WeakPolarHBondContact CD1-O 3.49Å; E47-E51 PolarHBondContact O-N 2.82Å; M48-E51 PolarHBondContact O-N 3.22Å; V49-E51 VanDerWaalsContact C-N 3.34Å; V49-E51 PolarHBondContact O-N 3.2Å; E51-P94 HydrophobicContact CB-CG 4.06Å
52C98.4Very high98.1Very high0 Ų061 Ų610%035%0.347CS..Hα-helixtrans-95-4.3-173.6-68.40000114.2L17 L40 M42 M48 V49 L93L17-C52 WeakPolarHBondContact CB-O 3.41Å; L17-C52 PolarHBondContact N-O 2.69Å; L40-C52 HydrophobicContact CD1-CB 4.19Å; M42-C52 HydrophobicContact CE-CB 3.64Å; M48-C52 WeakPolarHBondContact O-CB 3.45Å; M48-C52 PolarHBondContact O-N 2.99Å; M48-C52 PolarHBondContact O-SG 3.16Å; M48-C52 VanDerWaalsContact O-SG 3.41Å; V49-C52 PolarHBondContact O-N 3.33Å; C52-L93 HydrophobicContact CB-CD2 4.26Å
53T98.8Very high98.2Very high3 Ų361.5 Ų61.52%0.01835%0.349CS..EExtended strand (participates in β ladder)trans-136.7154.7-178.271.90000111.4R14 A15 F28 M42 V49R14-T53 WeakPolarHBondContact CD-OG1 3.46Å; R14-T53 PolarHBondContact NE-OG1 2.96Å; R14-T53 PolarHBondContact NH2-O 3.4Å; A15-T53 CarbonylContact O-C 3.53Å; A15-T53 VanDerWaalsContact O-CA 3.25Å; A15-T53 WeakPolarHBondContact O-CA 3.32Å; A15-T53 WeakPolarHBondContact O-CB 3.49Å; F28-T53 HydrophobicContact CD1-CG2 4.31Å; F28-T53 HydrophobicContact CD2-CG2 4.13Å; F28-T53 HydrophobicContact CE1-CG2 4.35Å; F28-T53 HydrophobicContact CE2-CG2 4.15Å; F28-T53 HydrophobicContact CG-CG2 4.21Å; F28-T53 HydrophobicContact CZ-CG2 4.26Å; M42-T53 HydrophobicContact SD-CG2 4.18Å; V49-T53 HydrophobicContact CG1-CG2 4.34Å; V49-T53 WeakPolarHBondContact O-CB 3.47Å; V49-T53 WeakPolarHBondContact O-CG2 3.3Å; V49-T53 PolarHBondContact O-N 3.25Å; V49-T53 VanDerWaalsContact O-N 3.09Å; V49-T53 PolarHBondContact O-OG1 3.07Å
54S98.8Very high98.1Very high16 Ų1662 Ų6211%0.11236%0.355CS..EExtended strand (participates in β ladder)trans-119137.2178.3-176.50000111.6R14 A15 S56 T90R14-S54 CarbonylContact C-O 3.59Å; R14-S54 VanDerWaalsContact CA-O 3.22Å; R14-S54 WeakPolarHBondContact CA-O 3.44Å; A15-S54 PolarHBondContact N-O 3.41Å; A15-S54 PolarHBondContact O-N 3.25Å; S54-S56 PolarHBondContact OG-N 3.4Å; S54-S56 PolarHBondContact OG-O 2.93Å; S54-T90 WeakPolarHBondContact CB-O 3.41Å; S54-T90 PolarHBondContact OG-O 2.94Å
55S98.5Very high98.1Very high74 Ų7461.8 Ų61.852%0.51734%0.343SS..SBendtrans-79.2-6166.945.80000113.1
56S98.4Very high98.1Very high66 Ų6658.9 Ų58.946%0.46233%0.328SS..  trans-106.4101.7178.8-610000109.4S54 T90S54-S56 PolarHBondContact OG-N 3.4Å; S54-S56 PolarHBondContact OG-O 2.93Å; S56-T90 WeakPolarHBondContact O-CB 3.39Å; S56-T90 PolarHBondContact O-N 3.36Å
57F98.6Very high98.1Very high46 Ų4662.3 Ų62.320%0.20235%0.348CS..EExtended strand (participates in β ladder)trans-147155.4178.166.2-90.7000109.9L13 A15 V22 V60 A86 S88 V89L13-F57 HydrophobicContact CB-CE1 3.89Å; L13-F57 HydrophobicContact CB-CZ 3.8Å; L13-F57 HydrophobicContact CD1-CZ 4.24Å; A15-F57 HydrophobicContact CB-CB 3.86Å; A15-F57 HydrophobicContact CB-CD1 3.95Å; A15-F57 HydrophobicContact CB-CG 3.92Å; V22-F57 HydrophobicContact CG1-CE2 4.39Å; V22-F57 HydrophobicContact CG1-CZ 4.01Å; V22-F57 HydrophobicContact CG2-CD2 4.46Å; V22-F57 HydrophobicContact CG2-CE2 4.27Å; F57-V60 HydrophobicContact CD2-CG1 4.5Å; F57-V60 HydrophobicContact CE2-CG1 3.78Å; F57-A86 HydrophobicContact CB-CB 3.81Å; F57-A86 HydrophobicContact CD2-CB 3.73Å; F57-A86 HydrophobicContact CG-CB 4.01Å; F57-S88 CarbonylContact C-O 3.59Å; F57-S88 VanDerWaalsContact CA-O 3.29Å; F57-S88 WeakPolarHBondContact CA-O 3.3Å; F57-S88 VanDerWaalsContact CB-O 3.32Å; F57-S88 WeakPolarHBondContact CB-O 3.11Å; F57-V89 HydrophobicContact CB-CG2 4.45Å
58D98.4Very high98.1Very high93 Ų9362 Ų6250%0.49735%0.351SS..EExtended strand (participates in β ladder)trans-117.3134.3-176.8-62.5-78.1000109.9V87 S88D58-V87 WeakPolarHBondContact O-CA 3.35Å; D58-V87 VanDerWaalsContact O-CB 3.23Å; D58-V87 WeakPolarHBondContact O-CB 3.35Å; D58-V87 PolarHBondContact O-N 3.49Å; D58-S88 PolarHBondContact N-O 3.2Å; D58-S88 PolarHBondContact O-N 3.08Å; D58-S88 VanDerWaalsContact O-N 3.09Å
59G97.7Very high98.1Very high46 Ų4661.5 Ų61.547%0.47435%0.352SS..EExtended strand (participates in β ladder)trans62.9160.1178.200000114.2A86 V87G59-A86 WeakPolarHBondContact O-CA 3.25Å; G59-V87 PolarHBondContact O-N 3.39Å
60V98.1Very high98.1Very high88 Ų8870.4 Ų70.453%0.53339%0.386SS..EExtended strand (participates in β ladder)trans-135.1148.8172.1-65.70000111F57 V84 Y85F57-V60 HydrophobicContact CD2-CG1 4.5Å; F57-V60 HydrophobicContact CE2-CG1 3.78Å; V60-V84 HydrophobicContact CB-CG1 3.93Å; V60-V84 HydrophobicContact CG1-CG1 4.2Å; V60-Y85 CarbonylContact C-O 3.54Å; V60-Y85 VanDerWaalsContact CA-O 3.3Å; V60-Y85 WeakPolarHBondContact CA-O 3.23Å
61V98.3Very high98.1Very high29 Ų2967.4 Ų67.418%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-127116.4176-178.50000107.7M63 V71 V84 Y85 V87V61-M63 HydrophobicContact CG1-CE 3.81Å; V61-M63 PolarHBondContact O-N 3Å; V61-V71 HydrophobicContact CG1-CG1 3.85Å; V61-V71 HydrophobicContact CG2-CG1 4.31Å; V61-V84 CarbonylContact O-C 3.48Å; V61-V84 WeakPolarHBondContact O-CA 3.26Å; V61-Y85 PolarHBondContact N-O 3.18Å; V61-Y85 PolarHBondContact O-N 3.27Å; V61-V87 HydrophobicContact CG2-CG2 3.82Å
62A98.2Very high98.1Very high68 Ų6862.6 Ų62.656%0.56236%0.357SS*.EExtended strand (participates in β ladder)trans-78.595.7167.500000108.7
63M98.2Very high98.1Very high10 Ų1070.7 Ų70.75%0.04939%0.392CS..EExtended strand (participates in β ladder)trans-86.1113.5-178.4-171.356.163.800110.6V61 P66 V71 A72 I77 P82 G83 Y85V61-M63 HydrophobicContact CG1-CE 3.81Å; V61-M63 PolarHBondContact O-N 3Å; M63-P66 HydrophobicContact CG-CB 4.08Å; M63-P66 HydrophobicContact CG-CG 3.71Å; M63-V71 HydrophobicContact CE-CB 4.11Å; M63-V71 HydrophobicContact CE-CG1 4.02Å; M63-A72 HydrophobicContact CE-CB 3.58Å; M63-A72 HydrophobicContact SD-CB 3.8Å; M63-I77 HydrophobicContact CB-CD1 4.38Å; M63-I77 HydrophobicContact CE-CD1 3.9Å; M63-I77 HydrophobicContact CE-CG1 4.43Å; M63-I77 HydrophobicContact CG-CD1 4.38Å; M63-P82 CarbonylContact O-C 3.47Å; M63-P82 VanDerWaalsContact O-CA 3.26Å; M63-P82 WeakPolarHBondContact O-CA 3.15Å; M63-G83 PolarHBondContact N-O 3.48Å; M63-G83 PolarHBondContact O-N 3.12Å; M63-Y85 HydrophobicContact CB-CD2 3.8Å; M63-Y85 HydrophobicContact CB-CE2 4.01Å
64M97.1Very high98.1Very high135 Ų13579.2 Ų79.267%0.66542%0.424SS*.SBendtrans-98.2-43.4-177.7-61.3180-178.200112.7P82M64-P82 WeakPolarHBondContact O-CG 3.33Å
65S97.1Very high98.1Very high61 Ų6179.5 Ų79.543%0.42742%0.424SS..  trans-127.677.5-179.5-52.40000110.3E67 D68 S69S65-E67 PolarHBondContact O-N 3.25Å; S65-D68 CarbonylContact O-C 3.57Å; S65-D68 PolarHBondContact O-N 2.99Å; S65-S69 VanDerWaalsContact O-CB 3.23Å; S65-S69 WeakPolarHBondContact O-CB 3.37Å
66P97.4Very high98Very high4 Ų481.5 Ų81.53%0.02642%0.42CS..G310 helixtrans-53.8-36.6-178-22.228.4000114.5M63 D68 A72 G78 C80 P82M63-P66 HydrophobicContact CG-CB 4.08Å; M63-P66 HydrophobicContact CG-CG 3.71Å; P66-D68 VanDerWaalsContact C-N 3.33Å; P66-D68 PolarHBondContact O-N 2.96Å; P66-A72 HydrophobicContact CB-CB 4.45Å; P66-A72 WeakPolarHBondContact O-CB 3.47Å; P66-G78 WeakPolarHBondContact O-CA 3.25Å; P66-C80 VanDerWaalsContact CG-O 3.23Å; P66-C80 WeakPolarHBondContact CG-O 3.33Å; P66-P82 HydrophobicContact CG-CG 4.44Å
67E97.4Very high98Very high155 Ų15578.4 Ų78.472%0.72440%0.398SS*.G310 helixtrans-72.1-23.9-177.264.2-85-159.900113.7S65S65-E67 PolarHBondContact O-N 3.25Å
68D97.6Very high98Very high144 Ų14477.2 Ų77.277%0.7740%0.399SS*.G310 helixtrans-125.750.4-177.8-169.226.1000110.9S65 P66S65-D68 CarbonylContact O-C 3.57Å; S65-D68 PolarHBondContact O-N 2.99Å; P66-D68 VanDerWaalsContact C-N 3.33Å; P66-D68 PolarHBondContact O-N 2.96Å
69S98.3Very high97.9Very high34 Ų3481.1 Ų81.124%0.23842%0.42CS..  trans-142.6121.6-177.9173.80000112.1S65 V71 A72 K73S65-S69 VanDerWaalsContact O-CB 3.23Å; S65-S69 WeakPolarHBondContact O-CB 3.37Å; S69-V71 VanDerWaalsContact C-N 3.25Å; S69-V71 PolarHBondContact O-N 3.2Å; S69-V71 PolarHBondContact OG-N 3.49Å; S69-A72 WeakPolarHBondContact O-CB 3.32Å; S69-A72 PolarHBondContact O-N 2.81Å; S69-A72 PolarHBondContact OG-N 3.35Å; S69-A72 VanDerWaalsContact OG-N 3.16Å; S69-K73 PolarHBondContact O-N 3.22Å; S69-K73 VanDerWaalsContact O-N 3.08Å
70W98.5Very high97.8Very high187 Ų18780 Ų8071%0.70841%0.405SS*.Hα-helixtrans-58.8-39.5170.4174.989000111.6A72 K73 W74W70-A72 VanDerWaalsContact C-N 3.32Å; W70-A72 PolarHBondContact O-N 2.56Å; W70-K73 WeakPolarHBondContact O-CB 3.21Å; W70-K73 PolarHBondContact O-N 2.83Å; W70-W74 HydrophobicContact CZ2-CD2 4.48Å; W70-W74 HydrophobicContact CZ2-CE3 4.28Å; W70-W74 PolarHBondContact O-N 3Å
71V98.6Very high97.8Very high55 Ų5580.9 Ų80.933%0.33340%0.402SS..Hα-helixtrans-62.2-41.8177.71790000110.4V61 M63 S69 K73 W74 Q75V61-V71 HydrophobicContact CG1-CG1 3.85Å; V61-V71 HydrophobicContact CG2-CG1 4.31Å; M63-V71 HydrophobicContact CE-CB 4.11Å; M63-V71 HydrophobicContact CE-CG1 4.02Å; S69-V71 VanDerWaalsContact C-N 3.25Å; S69-V71 PolarHBondContact O-N 3.2Å; S69-V71 PolarHBondContact OG-N 3.49Å; V71-K73 VanDerWaalsContact C-N 3.35Å; V71-K73 PolarHBondContact O-N 2.86Å; V71-W74 PolarHBondContact O-N 3.07Å; V71-Q75 HydrophobicContact CG1-CG 4.28Å; V71-Q75 WeakPolarHBondContact O-CB 3.49Å; V71-Q75 WeakPolarHBondContact O-CG 3.48Å; V71-Q75 PolarHBondContact O-N 3.19Å
72A98.4Very high97.8Very high0 Ų081.6 Ų81.60%041%0.407CS..Hα-helixtrans-64.3-39.9177.600000112.5M63 P66 S69 W70 Q75 R76 I77 G78M63-A72 HydrophobicContact CE-CB 3.58Å; M63-A72 HydrophobicContact SD-CB 3.8Å; P66-A72 HydrophobicContact CB-CB 4.45Å; P66-A72 WeakPolarHBondContact O-CB 3.47Å; S69-A72 WeakPolarHBondContact O-CB 3.32Å; S69-A72 PolarHBondContact O-N 2.81Å; S69-A72 PolarHBondContact OG-N 3.35Å; S69-A72 VanDerWaalsContact OG-N 3.16Å; W70-A72 VanDerWaalsContact C-N 3.32Å; W70-A72 PolarHBondContact O-N 2.56Å; A72-Q75 PolarHBondContact O-N 2.87Å; A72-R76 PolarHBondContact O-N 3.47Å; A72-I77 HydrophobicContact CB-CG1 4.07Å; A72-I77 PolarHBondContact O-N 3.15Å; A72-G78 PolarHBondContact O-N 3.1Å
73K98.1Very high97.8Very high171 Ų17178.8 Ų78.874%0.74338%0.384SS*.Hα-helixtrans-61.4-49.8174.7-174.5178.7-179.1177.80111S69 W70 V71 Q75 R76S69-K73 PolarHBondContact O-N 3.22Å; S69-K73 VanDerWaalsContact O-N 3.08Å; W70-K73 WeakPolarHBondContact O-CB 3.21Å; W70-K73 PolarHBondContact O-N 2.83Å; V71-K73 VanDerWaalsContact C-N 3.35Å; V71-K73 PolarHBondContact O-N 2.86Å; K73-Q75 VanDerWaalsContact C-N 3.33Å; K73-Q75 PolarHBondContact O-N 3.39Å; K73-R76 PolarHBondContact O-N 2.85Å
74W98Very high97.8Very high182 Ų18279.4 Ų79.469%0.68939%0.389SS*.Hα-helixtrans-59.7-43.8177.7-174.5-96000111.7W70 V71 R76W70-W74 HydrophobicContact CZ2-CD2 4.48Å; W70-W74 HydrophobicContact CZ2-CE3 4.28Å; W70-W74 PolarHBondContact O-N 3Å; V71-W74 PolarHBondContact O-N 3.07Å; W74-R76 VanDerWaalsContact C-N 3.26Å; W74-R76 PolarHBondContact O-N 2.84Å
75Q98.2Very high97.9Very high21 Ų2173.1 Ų73.110%0.09836%0.357CS..Hα-helixtrans-80-1.3-178.2-66.5-67.745.400115.1V71 A72 K73 I77 V87 R111V71-Q75 HydrophobicContact CG1-CG 4.28Å; V71-Q75 WeakPolarHBondContact O-CB 3.49Å; V71-Q75 WeakPolarHBondContact O-CG 3.48Å; V71-Q75 PolarHBondContact O-N 3.19Å; A72-Q75 PolarHBondContact O-N 2.87Å; K73-Q75 VanDerWaalsContact C-N 3.33Å; K73-Q75 PolarHBondContact O-N 3.39Å; Q75-I77 VanDerWaalsContact C-N 3.27Å; Q75-I77 HydrophobicContact CB-CD1 4.06Å; Q75-I77 HydrophobicContact CB-CG1 3.92Å; Q75-I77 PolarHBondContact O-N 3.17Å; Q75-V87 PolarHBondContact NE2-O 2.77Å; Q75-V87 VanDerWaalsContact NE2-O 3.13Å; Q75-R111 PolarHBondContact O-NH1 3.27Å
76R97.8Very high98Very high116 Ų11670.3 Ų70.344%0.43834%0.338SS..THydrogen-bonded Turntrans56.142.9-177.8-53.3171.3-74.11774.1111.6A72 K73 W74 S110 R111A72-R76 PolarHBondContact O-N 3.47Å; K73-R76 PolarHBondContact O-N 2.85Å; W74-R76 VanDerWaalsContact C-N 3.26Å; W74-R76 PolarHBondContact O-N 2.84Å; R76-S110 PolarHBondContact NH2-O 3.07Å; R76-R111 PolarHBondContact O-NH1 3.2Å
77I98.1Very high98Very high1 Ų172.8 Ų72.81%0.00535%0.353CS..  trans-125.312.7177.662.3176.2000112.8M63 A72 Q75 N79 C80 Y85M63-I77 HydrophobicContact CB-CD1 4.38Å; M63-I77 HydrophobicContact CE-CD1 3.9Å; M63-I77 HydrophobicContact CE-CG1 4.43Å; M63-I77 HydrophobicContact CG-CD1 4.38Å; A72-I77 HydrophobicContact CB-CG1 4.07Å; A72-I77 PolarHBondContact O-N 3.15Å; Q75-I77 VanDerWaalsContact C-N 3.27Å; Q75-I77 HydrophobicContact CB-CD1 4.06Å; Q75-I77 HydrophobicContact CB-CG1 3.92Å; Q75-I77 PolarHBondContact O-N 3.17Å; I77-N79 PolarHBondContact O-N 2.81Å; I77-N79 VanDerWaalsContact O-N 3.16Å; I77-C80 HydrophobicContact CB-CB 4.21Å; I77-C80 WeakPolarHBondContact O-CB 3.47Å; I77-C80 PolarHBondContact O-N 3.5Å; I77-Y85 HydrophobicContact CB-CD1 4.42Å; I77-Y85 HydrophobicContact CB-CE1 4.48Å; I77-Y85 HydrophobicContact CD1-CD1 4.09Å; I77-Y85 HydrophobicContact CD1-CD2 3.83Å; I77-Y85 HydrophobicContact CD1-CE2 4.45Å; I77-Y85 HydrophobicContact CD1-CG 3.64Å; I77-Y85 HydrophobicContact CG2-CD1 3.93Å; I77-Y85 HydrophobicContact CG2-CE1 4.24Å
78G97.5Very high98.1Very high22 Ų2265.7 Ų65.723%0.22732%0.32CS..THydrogen-bonded Turntrans-63.9-17.1-178.900000115.8P66 A72P66-G78 WeakPolarHBondContact O-CA 3.25Å; A72-G78 PolarHBondContact O-N 3.1Å
79N96.6Very high98.1Very high174 Ų17458.8 Ų58.893%0.9328%0.283SS*.THydrogen-bonded Turntrans-104.66.7174.2-63.6-22000112.6I77I77-N79 PolarHBondContact O-N 2.81Å; I77-N79 VanDerWaalsContact O-N 3.16Å
80C97.1Very high98.1Very high24 Ų2460.3 Ų60.316%0.16229%0.291CS..SBendtrans-89.1164.4177.6-61.60000110.2N35 P66 I77 Y85N35-C80 WeakPolarHBondContact OD1-CA 3.37Å; N35-C80 WeakPolarHBondContact OD1-CB 3.48Å; P66-C80 VanDerWaalsContact CG-O 3.23Å; P66-C80 WeakPolarHBondContact CG-O 3.33Å; I77-C80 HydrophobicContact CB-CB 4.21Å; I77-C80 WeakPolarHBondContact O-CB 3.47Å; I77-C80 PolarHBondContact O-N 3.5Å; C80-Y85 HydrophobicContact CB-CE1 4.01Å; C80-Y85 VanDerWaalsContact CB-OH 3.23Å; C80-Y85 WeakPolarHBondContact CB-OH 3.3Å
81K97.5Very high98.1Very high106 Ų10652.9 Ų52.946%0.46127%0.273SS..PPolyproline II helixtrans-68.8155.8176.4-70173.2175.2171.90111.6D34 N35 G83 Y85D34-K81 HydrophobicContact CB-CD 3.96Å; D34-K81 WeakPolarHBondContact O-CD 3.46Å; D34-K81 VanDerWaalsContact O-CE 3.23Å; D34-K81 WeakPolarHBondContact O-CE 3.49Å; D34-K81 PolarHBondContact O-NZ 3.4Å; N35-K81 PolarHBondContact OD1-N 3.02Å; K81-G83 PolarHBondContact O-N 2.91Å; K81-Y85 WeakPolarHBondContact O-CE2 3.33Å; K81-Y85 PolarHBondContact O-OH 3Å
82P98.1Very high98.1Very high44 Ų4458.8 Ų58.829%0.28629%0.289SS..SBendtrans-53.2139.2165-25.635.3000111.2M1 T5 M63 M64 P66M1-P82 HydrophobicContact CG-CB 4.25Å; T5-P82 PolarHBondContact OG1-O 3.43Å; M63-P82 CarbonylContact O-C 3.47Å; M63-P82 VanDerWaalsContact O-CA 3.26Å; M63-P82 WeakPolarHBondContact O-CA 3.15Å; M64-P82 WeakPolarHBondContact O-CG 3.33Å; P66-P82 HydrophobicContact CG-CG 4.44Å
83G98.1Very high98Very high8 Ų859.2 Ų59.28%0.08229%0.291CS..EExtended strand (participates in β ladder)trans164.7-177-173.600000113.1M63 K81 Y85M63-G83 PolarHBondContact N-O 3.48Å; M63-G83 PolarHBondContact O-N 3.12Å; K81-G83 PolarHBondContact O-N 2.91Å; G83-Y85 WeakPolarHBondContact O-CD2 3.32Å
84V98.6Very high98Very high24 Ų2452.7 Ų52.715%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-94.2130.1176.7-175.90000109.5P7 L21 V22 V60 V61P7-V84 HydrophobicContact CG-CB 4.15Å; P7-V84 HydrophobicContact CG-CG2 4.19Å; L21-V84 CarbonylContact C-O 3.59Å; L21-V84 WeakPolarHBondContact CD1-O 3.32Å; V22-V84 HydrophobicContact CB-CB 4.46Å; V22-V84 HydrophobicContact CB-CG1 4.17Å; V22-V84 PolarHBondContact N-O 3.1Å; V60-V84 HydrophobicContact CB-CG1 3.93Å; V60-V84 HydrophobicContact CG1-CG1 4.2Å; V61-V84 CarbonylContact O-C 3.48Å; V61-V84 WeakPolarHBondContact O-CA 3.26Å
85Y98.8Very high98Very high2 Ų249.5 Ų49.51%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-126.4144-178-67.1-94.6000111.1C19 S20 L21 N35 V60 V61 M63 I77 C80 K81 G83C19-Y85 VanDerWaalsContact O-CD1 3.3Å; C19-Y85 WeakPolarHBondContact O-CD1 3.4Å; C19-Y85 WeakPolarHBondContact O-CE1 3.16Å; S20-Y85 CarbonylContact O-C 3.46Å; S20-Y85 VanDerWaalsContact O-CA 3.3Å; S20-Y85 WeakPolarHBondContact O-CA 3.4Å; L21-Y85 HydrophobicContact CB-CD1 4.25Å; L21-Y85 HydrophobicContact CB-CE1 3.9Å; L21-Y85 HydrophobicContact CD1-CE1 4.01Å; L21-Y85 HydrophobicContact CD1-CE2 4.14Å; N35-Y85 PolarHBondContact ND2-OH 2.81Å; V60-Y85 CarbonylContact C-O 3.54Å; V60-Y85 VanDerWaalsContact CA-O 3.3Å; V60-Y85 WeakPolarHBondContact CA-O 3.23Å; V61-Y85 PolarHBondContact N-O 3.18Å; V61-Y85 PolarHBondContact O-N 3.27Å; M63-Y85 HydrophobicContact CB-CD2 3.8Å; M63-Y85 HydrophobicContact CB-CE2 4.01Å; I77-Y85 HydrophobicContact CB-CD1 4.42Å; I77-Y85 HydrophobicContact CB-CE1 4.48Å; I77-Y85 HydrophobicContact CD1-CD1 4.09Å; I77-Y85 HydrophobicContact CD1-CD2 3.83Å; I77-Y85 HydrophobicContact CD1-CE2 4.45Å; I77-Y85 HydrophobicContact CD1-CG 3.64Å; I77-Y85 HydrophobicContact CG2-CD1 3.93Å; I77-Y85 HydrophobicContact CG2-CE1 4.24Å; C80-Y85 HydrophobicContact CB-CE1 4.01Å; C80-Y85 VanDerWaalsContact CB-OH 3.23Å; C80-Y85 WeakPolarHBondContact CB-OH 3.3Å; K81-Y85 WeakPolarHBondContact O-CE2 3.33Å; K81-Y85 PolarHBondContact O-OH 3Å; G83-Y85 WeakPolarHBondContact O-CD2 3.32Å
86A98.8Very high97.9Very high2 Ų251 Ų512%0.01729%0.291CS..EExtended strand (participates in β ladder)trans-74148.5173.700000111.3A15 S20 V22 F57 G59 V89A15-A86 HydrophobicContact CB-CB 3.83Å; S20-A86 PolarHBondContact O-N 3.21Å; V22-A86 HydrophobicContact CG2-CB 3.83Å; F57-A86 HydrophobicContact CB-CB 3.81Å; F57-A86 HydrophobicContact CD2-CB 3.73Å; F57-A86 HydrophobicContact CG-CB 4.01Å; G59-A86 WeakPolarHBondContact O-CA 3.25Å; A86-V89 HydrophobicContact CB-CG2 3.69Å
87V98.5Very high97.8Very high57 Ų5746.3 Ų46.335%0.34528%0.275SS..EExtended strand (participates in β ladder)trans-72.8-45.3175.2172.30000110.9D58 G59 V61 Q75 T113D58-V87 WeakPolarHBondContact O-CA 3.35Å; D58-V87 VanDerWaalsContact O-CB 3.23Å; D58-V87 WeakPolarHBondContact O-CB 3.35Å; D58-V87 PolarHBondContact O-N 3.49Å; G59-V87 PolarHBondContact O-N 3.39Å; V61-V87 HydrophobicContact CG2-CG2 3.82Å; Q75-V87 PolarHBondContact NE2-O 2.77Å; Q75-V87 VanDerWaalsContact NE2-O 3.13Å; V87-T113 PolarHBondContact O-OG1 3.13Å
88S98.6Very high97.8Very high5 Ų548.3 Ų48.34%0.03529%0.287CS..EExtended strand (participates in β ladder)trans-135.4144.7171.7-174.90000109.4F57 D58 D112 T113 A114F57-S88 CarbonylContact C-O 3.59Å; F57-S88 VanDerWaalsContact CA-O 3.29Å; F57-S88 WeakPolarHBondContact CA-O 3.3Å; F57-S88 VanDerWaalsContact CB-O 3.32Å; F57-S88 WeakPolarHBondContact CB-O 3.11Å; D58-S88 PolarHBondContact N-O 3.2Å; D58-S88 PolarHBondContact O-N 3.08Å; D58-S88 VanDerWaalsContact O-N 3.09Å; S88-D112 PolarHBondContact OG-OD1 3.3Å; S88-T113 WeakPolarHBondContact CB-OG1 3.3Å; S88-T113 PolarHBondContact OG-N 3.17Å; S88-A114 PolarHBondContact OG-N 3.09Å
89V98.8Very high97.8Very high0 Ų056.9 Ų56.90%031%0.312CS..EExtended strand (participates in β ladder)trans-121.2116.4176.3-171.80000109.7A15 L17 F57 A86 R111 D112A15-V89 HydrophobicContact CB-CB 4.39Å; A15-V89 HydrophobicContact CB-CG1 3.86Å; A15-V89 HydrophobicContact CB-CG2 3.6Å; L17-V89 HydrophobicContact CD2-CG1 3.77Å; F57-V89 HydrophobicContact CB-CG2 4.45Å; A86-V89 HydrophobicContact CB-CG2 3.69Å; V89-R111 HydrophobicContact CB-CB 3.92Å; V89-R111 HydrophobicContact CG2-CB 4Å; V89-R111 PolarHBondContact N-O 3.32Å; V89-R111 CarbonylContact O-C 3.54Å; V89-D112 VanDerWaalsContact O-CA 3.25Å; V89-D112 WeakPolarHBondContact O-CA 3.49Å; V89-D112 WeakPolarHBondContact O-CB 3.39Å; V89-D112 PolarHBondContact O-N 2.94Å; V89-D112 VanDerWaalsContact O-N 3.16Å
90T98.6Very high97.8Very high65 Ų6552.5 Ų52.540%0.39929%0.286SS..  trans-76.3128.2175.1-65.20000109.8S54 S56S54-T90 WeakPolarHBondContact CB-O 3.41Å; S54-T90 PolarHBondContact OG-O 2.94Å; S56-T90 WeakPolarHBondContact O-CB 3.39Å; S56-T90 PolarHBondContact O-N 3.36Å
91G97.4Very high97.8Very high32 Ų3251.5 Ų51.533%0.3328%0.279SS..  trans128.2175177.400000112.8
92R98Very high97.8Very high179 Ų17954.2 Ų54.268%0.67529%0.291SS*.  trans-140.4146.7177.7-67.2-175.2-179.3-117.11110.3Y108R92-Y108 WeakPolarHBondContact CA-OH 3.12Å
93L97.9Very high97.7Very high8 Ų856.8 Ų56.84%0.04231%0.31CS..  trans-62.4145.8171.1-74.7177.1000110.6L17 L18 L40 C52 V97 V98 L101 Y108L17-L93 HydrophobicContact CB-CD2 3.68Å; L17-L93 HydrophobicContact CB-CG 3.84Å; L17-L93 HydrophobicContact CD1-CD2 4.22Å; L18-L93 HydrophobicContact CB-CD1 4.22Å; L18-L93 HydrophobicContact CD1-CD1 4.29Å; L40-L93 HydrophobicContact CD2-CD1 4.49Å; C52-L93 HydrophobicContact CB-CD2 4.26Å; L93-V97 HydrophobicContact CD1-CG1 4.34Å; L93-V97 HydrophobicContact CD2-CG1 4.43Å; L93-V98 HydrophobicContact CB-CG2 3.7Å; L93-L101 HydrophobicContact CD1-CD1 3.68Å; L93-Y108 HydrophobicContact CB-CE1 4.4Å; L93-Y108 HydrophobicContact CB-CE2 4.3Å; L93-Y108 HydrophobicContact CD1-CD2 3.68Å; L93-Y108 HydrophobicContact CD1-CE2 3.73Å; L93-Y108 HydrophobicContact CD1-CG 4.32Å; L93-Y108 HydrophobicContact CG-CD2 4.37Å; L93-Y108 HydrophobicContact CG-CE2 3.93Å; L93-Y108 PolarHBondContact N-OH 3.26Å
94P97.4Very high97.6Very high34 Ų3461.5 Ų61.522%0.22133%0.325CS..  trans-55.7143.6174.1-24.432.7000111.9E51 G96 V97 V98E51-P94 HydrophobicContact CB-CG 4.06Å; P94-G96 PolarHBondContact O-N 3.44Å; P94-G96 VanDerWaalsContact O-N 3.15Å; P94-V97 HydrophobicContact CB-CG2 4.14Å; P94-V97 HydrophobicContact CG-CG2 4.16Å; P94-V97 PolarHBondContact O-N 3.48Å; P94-V97 VanDerWaalsContact O-N 3.11Å; P94-V98 WeakPolarHBondContact O-CG2 3.29Å; P94-V98 PolarHBondContact O-N 3.24Å
95P97.3Very high97.5Very high115 Ų11563.6 Ų63.675%0.74735%0.352SS*.Hα-helixtrans-56.5-33.2-179-2734.7000114.4V98 R99P95-V98 PolarHBondContact O-N 3.03Å; P95-R99 PolarHBondContact O-N 3.44Å
96G96.4Very high97.4Very high53 Ų5364.8 Ų64.855%0.54636%0.36SS..Hα-helixtrans-62.2-50.2175.500000112.2P94 V98 R99 E100P94-G96 PolarHBondContact O-N 3.44Å; P94-G96 VanDerWaalsContact O-N 3.15Å; G96-V98 VanDerWaalsContact C-N 3.32Å; G96-V98 PolarHBondContact O-N 3.45Å; G96-R99 WeakPolarHBondContact O-CB 3.22Å; G96-R99 PolarHBondContact O-N 3.16Å; G96-R99 VanDerWaalsContact O-N 3.16Å; G96-E100 PolarHBondContact O-N 3.19Å
97V96.7Very high97.2Very high17 Ų1772 Ų7210%0.10340%0.395CS..Hα-helixtrans-59.7-43.2175.8-179.90000110.7L40 L93 P94 R99 E100 L101L40-V97 HydrophobicContact CD2-CG1 3.7Å; L93-V97 HydrophobicContact CD1-CG1 4.34Å; L93-V97 HydrophobicContact CD2-CG1 4.43Å; P94-V97 HydrophobicContact CB-CG2 4.14Å; P94-V97 HydrophobicContact CG-CG2 4.16Å; P94-V97 PolarHBondContact O-N 3.48Å; P94-V97 VanDerWaalsContact O-N 3.11Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.31Å; V97-E100 PolarHBondContact O-N 2.71Å; V97-L101 HydrophobicContact CG1-CD1 4.3Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CG 3.39Å; V97-L101 PolarHBondContact O-N 2.92Å
98V98Very high97.2Very high43 Ų4371.5 Ų71.526%0.26139%0.387SS..Hα-helixtrans-62-39.6177.4175.30000112.1L93 P94 P95 G96 K102 Y108L93-V98 HydrophobicContact CB-CG2 3.7Å; P94-V98 WeakPolarHBondContact O-CG2 3.29Å; P94-V98 PolarHBondContact O-N 3.24Å; P95-V98 PolarHBondContact O-N 3.03Å; G96-V98 VanDerWaalsContact C-N 3.32Å; G96-V98 PolarHBondContact O-N 3.45Å; V98-K102 PolarHBondContact O-N 3.19Å; V98-K102 VanDerWaalsContact O-N 3.08Å; V98-Y108 HydrophobicContact CB-CD1 4.49Å; V98-Y108 HydrophobicContact CG1-CD1 4.08Å; V98-Y108 HydrophobicContact CG1-CG 4.48Å; V98-Y108 HydrophobicContact CG2-CD1 3.54Å; V98-Y108 HydrophobicContact CG2-CE1 4.01Å; V98-Y108 HydrophobicContact CG2-CG 4.03Å
99R97.4Very high97.1Very high202 Ų20277.2 Ų77.276%0.76241%0.411SS*.Hα-helixtrans-64.7-41.8176.8-178.8-178.2-75.8177.9-4111.4P95 G96 V97 K102 S103P95-R99 PolarHBondContact O-N 3.44Å; G96-R99 WeakPolarHBondContact O-CB 3.22Å; G96-R99 PolarHBondContact O-N 3.16Å; G96-R99 VanDerWaalsContact O-N 3.16Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.31Å; R99-K102 PolarHBondContact O-N 2.9Å; R99-S103 PolarHBondContact O-N 2.85Å
100E95.9Very high97Very high82 Ų8278.6 Ų78.638%0.38342%0.421SS..Hα-helixtrans-67-42.3177.2-177.6175-174.400112.4G96 V97 K102 S103 R104G96-E100 PolarHBondContact O-N 3.19Å; V97-E100 PolarHBondContact O-N 2.71Å; E100-K102 PolarHBondContact O-N 2.8Å; E100-S103 PolarHBondContact O-N 2.86Å; E100-S103 PolarHBondContact O-OG 2.75Å; E100-R104 WeakPolarHBondContact O-CG 3.33Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 VanDerWaalsContact O-N 3.13Å; E100-R104 IonicContact OE1-CZ 3.29Å; E100-R104 VanDerWaalsContact OE1-CZ 3.29Å; E100-R104 IonicContact OE1-NE 3.41Å; E100-R104 PolarHBondContact OE1-NE 3.03Å; E100-R104 IonicContact OE1-NH2 2.63Å; E100-R104 PolarHBondContact OE1-NH2 3.18Å
101L97.2Very high97Very high3 Ų377.4 Ų77.42%0.01641%0.409CS..Hα-helixtrans-55.4-45.6172.3-72.4174.9000110.7L18 Y39 L40 L93 V97 S103 R104 G105 V106L18-L101 HydrophobicContact CD1-CD1 4.05Å; L18-L101 HydrophobicContact CD2-CD1 4.11Å; L18-L101 HydrophobicContact CD2-CD2 4.09Å; Y39-L101 HydrophobicContact CG-CD2 4.23Å; L40-L101 HydrophobicContact CD2-CD1 4.43Å; L40-L101 HydrophobicContact CD2-CD2 4.4Å; L93-L101 HydrophobicContact CD1-CD1 3.68Å; V97-L101 HydrophobicContact CG1-CD1 4.3Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CG 3.39Å; V97-L101 PolarHBondContact O-N 2.92Å; L101-S103 PolarHBondContact O-N 3.16Å; L101-R104 CarbonylContact O-C 3.51Å; L101-R104 PolarHBondContact O-N 2.67Å; L101-G105 PolarHBondContact O-N 2.8Å; L101-V106 CarbonylContact C-O 3.49Å; L101-V106 VanDerWaalsContact C-O 3.23Å; L101-V106 HydrophobicContact CB-CB 4.1Å; L101-V106 HydrophobicContact CB-CG1 4.42Å; L101-V106 HydrophobicContact CD2-CB 4.14Å; L101-V106 HydrophobicContact CD2-CG1 4.09Å; L101-V106 WeakPolarHBondContact O-CA 3.35Å; L101-V106 WeakPolarHBondContact O-CB 3.36Å; L101-V106 PolarHBondContact O-N 2.91Å
102K97.3Very high97.1Very high164 Ų16477.3 Ų77.371%0.71340%0.401SS*.Hα-helixtrans-63.6-40.2179.1-170.7179180-1780112.6V98 R99 E100 R104 G105 V106V98-K102 PolarHBondContact O-N 3.19Å; V98-K102 VanDerWaalsContact O-N 3.08Å; R99-K102 PolarHBondContact O-N 2.9Å; E100-K102 PolarHBondContact O-N 2.8Å; K102-R104 PolarHBondContact O-N 2.93Å; K102-G105 PolarHBondContact O-N 2.91Å; K102-V106 PolarHBondContact N-O 3.2Å
103S97Very high97Very high98 Ų9871.8 Ų71.869%0.68539%0.387SS*.Hα-helixtrans-66.3-26.2177.468.60000112.7R99 E100 L101 G105R99-S103 PolarHBondContact O-N 2.85Å; E100-S103 PolarHBondContact O-N 2.86Å; E100-S103 PolarHBondContact O-OG 2.75Å; L101-S103 PolarHBondContact O-N 3.16Å; S103-G105 VanDerWaalsContact C-N 3.33Å
104R95.6Very high96.7Very high106 Ų10673.8 Ų73.840%0.441%0.405SS..THydrogen-bonded Turntrans-88.68.1172.9-60178.2-175-151.24.5113.7S38 E100 L101 K102 V106S38-R104 PolarHBondContact O-NH1 3.41Å; E100-R104 WeakPolarHBondContact O-CG 3.33Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 VanDerWaalsContact O-N 3.13Å; E100-R104 IonicContact OE1-CZ 3.29Å; E100-R104 VanDerWaalsContact OE1-CZ 3.29Å; E100-R104 IonicContact OE1-NE 3.41Å; E100-R104 PolarHBondContact OE1-NE 3.03Å; E100-R104 IonicContact OE1-NH2 2.63Å; E100-R104 PolarHBondContact OE1-NH2 3.18Å; L101-R104 CarbonylContact O-C 3.51Å; L101-R104 PolarHBondContact O-N 2.67Å; K102-R104 PolarHBondContact O-N 2.93Å; R104-V106 VanDerWaalsContact C-N 3.35Å; R104-V106 PolarHBondContact O-N 3.19Å
105G95.7Very high96.4Very high68 Ų6878.9 Ų78.970%0.70144%0.435SS*.THydrogen-bonded Turntrans79.59.8178.800000115.3L101 K102 S103L101-G105 PolarHBondContact O-N 2.8Å; K102-G105 PolarHBondContact O-N 2.91Å; S103-G105 VanDerWaalsContact C-N 3.33Å
106V96.1Very high95.9Very high28 Ų2880.6 Ų80.617%0.1743%0.431CS..PPolyproline II helixtrans-94.2118178.4-177.60000110.4Y39 L101 K102 R104Y39-V106 HydrophobicContact CD1-CG2 3.66Å; Y39-V106 HydrophobicContact CE1-CG2 3.41Å; Y39-V106 VanDerWaalsContact CE1-CG2 3.41Å; Y39-V106 HydrophobicContact CE2-CG2 4.4Å; Y39-V106 HydrophobicContact CG-CG2 4.25Å; L101-V106 CarbonylContact C-O 3.49Å; L101-V106 VanDerWaalsContact C-O 3.23Å; L101-V106 HydrophobicContact CB-CB 4.1Å; L101-V106 HydrophobicContact CB-CG1 4.42Å; L101-V106 HydrophobicContact CD2-CB 4.14Å; L101-V106 HydrophobicContact CD2-CG1 4.09Å; L101-V106 WeakPolarHBondContact O-CA 3.35Å; L101-V106 WeakPolarHBondContact O-CB 3.36Å; L101-V106 PolarHBondContact O-N 2.91Å; K102-V106 PolarHBondContact N-O 3.2Å; R104-V106 VanDerWaalsContact C-N 3.35Å; R104-V106 PolarHBondContact O-N 3.19Å
107M95.2Very high94.9Very high153 Ų15388 Ų8875%0.75447%0.466SS*.PPolyproline II helixtrans-84.8116.5176.3-74-109.4-74.400111.2
108Y97.8Very high94.8Very high47 Ų4791.6 Ų91.618%0.18448%0.484CS..PPolyproline II helixtrans-77.1128.6172.6174.8-121.8000111.5L17 L18 R92 L93 V98L17-Y108 WeakPolarHBondContact O-CE2 3.41Å; L18-Y108 HydrophobicContact CD1-CD2 3.92Å; R92-Y108 WeakPolarHBondContact CA-OH 3.12Å; L93-Y108 HydrophobicContact CB-CE1 4.4Å; L93-Y108 HydrophobicContact CB-CE2 4.3Å; L93-Y108 HydrophobicContact CD1-CD2 3.68Å; L93-Y108 HydrophobicContact CD1-CE2 3.73Å; L93-Y108 HydrophobicContact CD1-CG 4.32Å; L93-Y108 HydrophobicContact CG-CD2 4.37Å; L93-Y108 HydrophobicContact CG-CE2 3.93Å; L93-Y108 PolarHBondContact N-OH 3.26Å; V98-Y108 HydrophobicContact CB-CD1 4.49Å; V98-Y108 HydrophobicContact CG1-CD1 4.08Å; V98-Y108 HydrophobicContact CG1-CG 4.48Å; V98-Y108 HydrophobicContact CG2-CD1 3.54Å; V98-Y108 HydrophobicContact CG2-CE1 4.01Å; V98-Y108 HydrophobicContact CG2-CG 4.03Å
109K97.5Very high94.7Very high124 Ų12494.2 Ų94.254%0.53950%0.496SS..  trans-127.3136.5168.7-66.4-177.3-178.9178.80108.6R111K109-R111 PolarHBondContact O-N 3.36Å
110S97.6Very high94.5Very high30 Ų3088.2 Ų88.221%0.2148%0.481CS..  trans-55.2138.4178-171.70000111.6R76 D112R76-S110 PolarHBondContact NH2-O 3.07Å; S110-D112 WeakPolarHBondContact OG-CB 3.23Å; S110-D112 PolarHBondContact OG-N 2.77Å
111R98.4Very high94.4Very high39 Ų3988.5 Ų88.515%0.14749%0.487CS..  trans-94.7-1.1171-62.9-63177.41710.2112.9L17 L18 Q75 R76 V89 K109 T113L17-R111 WeakPolarHBondContact O-CG 3.38Å; L18-R111 VanDerWaalsContact O-CZ 3.31Å; L18-R111 PolarHBondContact O-NE 3.21Å; L18-R111 PolarHBondContact O-NH2 3.41Å; Q75-R111 PolarHBondContact O-NH1 3.27Å; R76-R111 PolarHBondContact O-NH1 3.2Å; V89-R111 HydrophobicContact CB-CB 3.92Å; V89-R111 HydrophobicContact CG2-CB 4Å; V89-R111 PolarHBondContact N-O 3.32Å; V89-R111 CarbonylContact O-C 3.54Å; K109-R111 PolarHBondContact O-N 3.36Å; R111-T113 PolarHBondContact O-N 2.95Å
112D97.7Very high94.2Very high30 Ų3093.9 Ų93.916%0.1652%0.517CS..  trans-72.2109.6164.7-171.9-7.5000108.7S88 V89 S110 A114 K116S88-D112 PolarHBondContact OG-OD1 3.3Å; V89-D112 VanDerWaalsContact O-CA 3.25Å; V89-D112 WeakPolarHBondContact O-CA 3.49Å; V89-D112 WeakPolarHBondContact O-CB 3.39Å; V89-D112 PolarHBondContact O-N 2.94Å; V89-D112 VanDerWaalsContact O-N 3.16Å; S110-D112 WeakPolarHBondContact OG-CB 3.23Å; S110-D112 PolarHBondContact OG-N 2.77Å; D112-A114 WeakPolarHBondContact OD1-CB 3.32Å; D112-A114 PolarHBondContact OD1-N 3.45Å; D112-K116 WeakPolarHBondContact OD2-CE 3.29Å; D112-K116 IonicContact OD2-NZ 3.66Å; D112-K116 PolarHBondContact OD2-NZ 2.92Å
113T95.9Very high94Very high63 Ų6389.2 Ų89.239%0.38750%0.504SS..  trans-112.17178.863.10000112.2V87 S88 R111V87-T113 PolarHBondContact O-OG1 3.13Å; S88-T113 WeakPolarHBondContact CB-OG1 3.3Å; S88-T113 PolarHBondContact OG-N 3.17Å; R111-T113 PolarHBondContact O-N 2.95Å
114A93Very high93.8Very high51 Ų5188.6 Ų88.642%0.42149%0.491SS..  trans-65.7136178.400000110.2S88 D112 K116S88-A114 PolarHBondContact OG-N 3.09Å; D112-A114 WeakPolarHBondContact OD1-CB 3.32Å; D112-A114 PolarHBondContact OD1-N 3.45Å; A114-K116 PolarHBondContact O-N 2.74Å
115V91.4Very high93.7Very high141 Ų14187.2 Ų87.286%0.85550%0.498SS*.  trans-72.5114.9170.21800000107.2
116K85.9Confident93.5Very high150 Ų15088.8 Ų88.865%0.65248%0.481SS*.  trans-90.6119.5178.6-57.3-170.6-176.1-167.60108.6D112 A114D112-K116 WeakPolarHBondContact OD2-CE 3.29Å; D112-K116 IonicContact OD2-NZ 3.66Å; D112-K116 PolarHBondContact OD2-NZ 2.92Å; A114-K116 PolarHBondContact O-N 2.74Å
117T75.9Confident93.3Very high210 Ų21094.4 Ų94.4100%1.28851%0.509SS*.  trans-780167.246.40000111

Retrieved 117 of 117 residues in 82.9 ms (Link to these results)

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