A0A3Q0KCE8_SCHMA 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 (Q15ER1), UniProt , Accession A0A3Q0KCE8, Species SCHMA (Schistosoma mansoni, Blood fluke), 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
1M48.1Very low81.6Confident192 Ų19287.7 Ų87.795%0.94650%0.499SS*.  0133.90-65.9172.6-162.700107.6V3M1-V3 PolarHBondContact O-N 2.99Å
2A55.2Low82.8Confident68 Ų6896.4 Ų96.456%0.56252%0.518SS*.  trans-68.2115.3177.100000108.5N4 S5A2-N4 PolarHBondContact O-N 2.82Å; A2-S5 PolarHBondContact O-N 3.06Å; A2-S5 PolarHBondContact O-OG 3.34Å
3V63.8Low83.8Confident100 Ų10097.7 Ų97.761%0.60652%0.518SS*.G310 helixtrans-49.3-29.1179.6177.90000111.9M1 S5 V6 I7M1-V3 PolarHBondContact O-N 2.99Å; V3-S5 VanDerWaalsContact C-N 3.28Å; V3-S5 PolarHBondContact O-N 3.32Å; V3-V6 PolarHBondContact O-N 3.06Å; V3-I7 HydrophobicContact CG1-CD1 3.8Å
4N72.4Confident84.9Confident140 Ų14092.3 Ų92.375%0.74949%0.49SS*.G310 helixtrans-65.5-20.7179.9-61.3-9.7000114.7A2A2-N4 PolarHBondContact O-N 2.82Å
5S85.4Confident85.8Confident31 Ų3188.1 Ų88.122%0.21746%0.464CS..G310 helixtrans-81.2-24.2179.871.40000113.3A2 V3 K24 Q28A2-S5 PolarHBondContact O-N 3.06Å; A2-S5 PolarHBondContact O-OG 3.34Å; V3-S5 VanDerWaalsContact C-N 3.28Å; V3-S5 PolarHBondContact O-N 3.32Å; S5-K24 WeakPolarHBondContact O-CD 3.48Å; S5-Q28 PolarHBondContact O-NE2 2.82Å
6V93.4Very high86.6Confident7 Ų782.6 Ų82.64%0.04244%0.435CS..THydrogen-bonded Turntrans-91.8-29.2-171-165.90000112.3V3 L22 E35 P83V3-V6 PolarHBondContact O-N 3.06Å; V6-L22 HydrophobicContact CG1-CD1 4.09Å; V6-L22 HydrophobicContact CG1-CD2 4.5Å; V6-E35 HydrophobicContact CG1-CG 4.32Å; V6-E35 HydrophobicContact CG2-CG 3.78Å; V6-P83 WeakPolarHBondContact CG1-O 3.43Å
7I95.2Very high87.3Confident84 Ų8477.8 Ų77.843%0.43141%0.41SS..SBendtrans-83.6134.5179.4-58.8173000108.9V3 S9 Q28V3-I7 HydrophobicContact CG1-CD1 3.8Å; I7-S9 PolarHBondContact O-N 3.35Å; I7-Q28 PolarHBondContact O-NE2 3.03Å
8P96.9Very high87.9Confident25 Ų2574.1 Ų74.116%0.16239%0.39CS..  trans-50.3124.6173-26.131.8000113E10 L14 V23 V85P8-E10 VanDerWaalsContact C-N 3.29Å; P8-E10 PolarHBondContact O-N 3.43Å; P8-L14 HydrophobicContact CB-CD2 3.62Å; P8-L14 HydrophobicContact CG-CD2 4.09Å; P8-V23 HydrophobicContact CG-CG1 4.34Å; P8-V23 WeakPolarHBondContact CG-O 3.43Å; P8-V85 HydrophobicContact CG-CB 4.17Å; P8-V85 HydrophobicContact CG-CG2 4.27Å
9S95.2Very high88.5Confident88 Ų8871.5 Ų71.562%0.61538%0.377SS*.SBendtrans-72.3-24.4-179.2560000113.3I7 Q28I7-S9 PolarHBondContact O-N 3.35Å; S9-Q28 PolarHBondContact OG-OE1 3.28Å
10E95.6Very high89Confident86 Ų8668.5 Ų68.540%0.40236%0.362SS..  trans-154.8169.5175.656.9173.4174.200109.8P8 R12 L14 T25P8-E10 VanDerWaalsContact C-N 3.29Å; P8-E10 PolarHBondContact O-N 3.43Å; E10-R12 HydrophobicContact CG-CB 4.45Å; E10-L14 VanDerWaalsContact O-CD2 3.3Å; E10-L14 WeakPolarHBondContact O-CD2 3.36Å; E10-T25 HydrophobicContact CG-CG2 3.73Å
11L96.1Very high89.4Confident144 Ų14465.4 Ų65.475%0.75435%0.346SS*.SBendtrans-88.6-4.8179.5-58.4-179.5000113.6L14L11-L14 HydrophobicContact CD2-CD1 4.35Å
12R96.4Very high91.8Very high192 Ų19256.3 Ų56.373%0.72530%0.301SS*.THydrogen-bonded Turntrans-85.6145.5178.2-67.9-178.5177.9-174.91110.3E10 L14E10-R12 HydrophobicContact CG-CB 4.45Å; R12-L14 PolarHBondContact O-N 2.92Å; R12-L14 VanDerWaalsContact O-N 3.12Å
13Q96.1Very high93.9Very high113 Ų11353 Ų5353%0.52828%0.275SS..THydrogen-bonded Turntrans5334.8176.6-56.8-174.8-25.700113.5L26Q13-L26 HydrophobicContact CB-CB 4.35Å; Q13-L26 PolarHBondContact O-N 2.85Å
14L98.5Very high95.5Very high22 Ų2248.3 Ų48.312%0.11525%0.246CC..EExtended strand (participates in β ladder)trans-63.4143.3170.9-67.9-178000110.2P8 E10 L11 R12 V23 T25 F58P8-L14 HydrophobicContact CB-CD2 3.62Å; P8-L14 HydrophobicContact CG-CD2 4.09Å; E10-L14 VanDerWaalsContact O-CD2 3.3Å; E10-L14 WeakPolarHBondContact O-CD2 3.36Å; L11-L14 HydrophobicContact CD2-CD1 4.35Å; R12-L14 PolarHBondContact O-N 2.92Å; R12-L14 VanDerWaalsContact O-N 3.12Å; L14-V23 HydrophobicContact CB-CG1 4.17Å; L14-V23 HydrophobicContact CD1-CG1 4.26Å; L14-V23 HydrophobicContact CD2-CG1 4.1Å; L14-V23 HydrophobicContact CG-CG1 4.42Å; L14-T25 HydrophobicContact CD2-CG2 4.19Å; L14-F58 HydrophobicContact CB-CE1 3.96Å; L14-F58 HydrophobicContact CB-CZ 3.85Å; L14-F58 HydrophobicContact CD1-CZ 4.27Å
15R98.7Very high96.7Very high30 Ų3041.8 Ų41.811%0.11321%0.211CC..EExtended strand (participates in β ladder)trans-139.2150.6173.4-53.6-175.46984.1-1.1108.8V23 K24 F29 Y51 S54 S55R15-V23 VanDerWaalsContact O-CA 3.27Å; R15-V23 WeakPolarHBondContact O-CA 3.29Å; R15-K24 PolarHBondContact N-O 3.34Å; R15-K24 PolarHBondContact O-N 3.1Å; R15-K24 VanDerWaalsContact O-N 3.11Å; R15-F29 HydrophobicContact CB-CD2 4.45Å; R15-F29 HydrophobicContact CB-CE2 4.23Å; R15-F29 WeakPolarHBondContact O-CE2 3.46Å; R15-Y51 PolarHBondContact NH2-O 3.2Å; R15-S54 WeakPolarHBondContact CD-OG 3.31Å; R15-S54 PolarHBondContact NE-OG 3.28Å; R15-S54 PolarHBondContact NH2-O 2.96Å; R15-S55 CarbonylContact C-O 3.55Å; R15-S55 WeakPolarHBondContact CA-O 3.45Å
16A98.8Very high97.3Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-108.3132.617300000109.9L18 L22 V23 S54 S55 F58 A87 V90A16-L18 PolarHBondContact O-N 2.91Å; A16-L22 CarbonylContact C-O 3.55Å; A16-L22 WeakPolarHBondContact CA-O 3.37Å; A16-V23 HydrophobicContact CB-CG2 3.94Å; A16-S54 CarbonylContact O-C 3.54Å; A16-S54 WeakPolarHBondContact O-CA 3.41Å; A16-S54 VanDerWaalsContact O-CB 3.31Å; A16-S54 WeakPolarHBondContact O-CB 3.48Å; A16-S55 PolarHBondContact N-O 3.01Å; A16-S55 PolarHBondContact O-N 2.93Å; A16-F58 HydrophobicContact CB-CB 3.96Å; A16-F58 HydrophobicContact CB-CD1 3.96Å; A16-F58 HydrophobicContact CB-CG 3.98Å; A16-A87 HydrophobicContact CB-CB 3.93Å; A16-V90 HydrophobicContact CB-CB 4.36Å; A16-V90 HydrophobicContact CB-CG1 3.82Å; A16-V90 HydrophobicContact CB-CG2 3.59Å
17C98.8Very high97.5Very high0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-61.3128.6174177.20000110.2L19 G21 L22 F29C17-L19 PolarHBondContact O-N 2.64Å; C17-L19 PolarHBondContact SG-N 3.25Å; C17-G21 VanDerWaalsContact O-CA 3.29Å; C17-G21 WeakPolarHBondContact O-CA 3.26Å; C17-G21 PolarHBondContact O-N 3.25Å; C17-L22 PolarHBondContact N-O 3.17Å; C17-F29 HydrophobicContact CB-CE1 4.43Å; C17-F29 HydrophobicContact CB-CZ 4.3Å
18L98.6Very high97.6Very high11 Ų1140.1 Ų40.16%0.05820%0.2CC..THydrogen-bonded Turntrans-70.1-16.5-178.2-75.3165.5000113.4A16 E52 C53 V90 L94A16-L18 PolarHBondContact O-N 2.91Å; L18-E52 WeakPolarHBondContact CD1-O 3.45Å; L18-C53 PolarHBondContact N-O 2.96Å; L18-V90 HydrophobicContact CD2-CG1 3.86Å; L18-L94 HydrophobicContact CB-CD2 3.71Å; L18-L94 HydrophobicContact CB-CG 3.87Å; L18-L94 HydrophobicContact CD1-CD2 4.19Å
19L98.1Very high97.7Very high26 Ų2638.9 Ų38.914%0.13619%0.192CC..THydrogen-bonded Turntrans-90.6-44.8178.2-175.554.9000113.1C17 C37 L41 L94 L102 Y109C17-L19 PolarHBondContact O-N 2.64Å; C17-L19 PolarHBondContact SG-N 3.25Å; L19-C37 HydrophobicContact CD2-CB 4.08Å; L19-L41 HydrophobicContact CB-CD1 4.04Å; L19-L41 HydrophobicContact CD2-CD1 4.29Å; L19-L41 HydrophobicContact CD2-CD2 4.29Å; L19-L41 HydrophobicContact CD2-CG 4.3Å; L19-L94 HydrophobicContact CB-CD1 4.26Å; L19-L102 HydrophobicContact CD1-CD1 4.04Å; L19-L102 HydrophobicContact CD2-CD1 4.08Å; L19-L102 HydrophobicContact CD2-CD2 4.06Å; L19-Y109 HydrophobicContact CD1-CD2 3.91Å
20C98.1Very high97.8Very high11 Ų1137.5 Ų37.57%0.07418%0.176CC..THydrogen-bonded Turntrans-120.7-9.7-171.473.10000115.4L22 N36 C37 L81 Y86C20-L22 VanDerWaalsContact C-N 3.29Å; C20-L22 PolarHBondContact O-N 3.35Å; C20-L22 VanDerWaalsContact SG-CB 3.59Å; C20-N36 HydrophobicContact CB-CB 4.13Å; C20-C37 VanDerWaalsContact CB-SG 3.56Å; C20-L81 HydrophobicContact CB-CD1 3.78Å; C20-Y86 WeakPolarHBondContact O-CD1 3.39Å
21G98.3Very high97.8Very high4 Ų439 Ų394%0.04119%0.186CC..  trans79.70.8179.100000115.5C17 V23 Y86 A87C17-G21 VanDerWaalsContact O-CA 3.29Å; C17-G21 WeakPolarHBondContact O-CA 3.26Å; C17-G21 PolarHBondContact O-N 3.25Å; G21-V23 PolarHBondContact O-N 3.22Å; G21-Y86 CarbonylContact O-C 3.49Å; G21-Y86 VanDerWaalsContact O-CA 3.3Å; G21-Y86 WeakPolarHBondContact O-CA 3.27Å; G21-A87 PolarHBondContact O-N 3.21Å
22L98.5Very high97.8Very high0 Ų035.7 Ų35.70%017%0.169CC..BIsolated β-bridgetrans-58.1133.8175.8-17573.5000110.1V6 A16 C17 C20 K24 F29 E35 V85 Y86V6-L22 HydrophobicContact CG1-CD1 4.09Å; V6-L22 HydrophobicContact CG1-CD2 4.5Å; A16-L22 CarbonylContact C-O 3.55Å; A16-L22 WeakPolarHBondContact CA-O 3.37Å; C17-L22 PolarHBondContact N-O 3.17Å; C20-L22 VanDerWaalsContact C-N 3.29Å; C20-L22 PolarHBondContact O-N 3.35Å; C20-L22 VanDerWaalsContact SG-CB 3.59Å; L22-K24 HydrophobicContact CD2-CD 4.28Å; L22-K24 HydrophobicContact CD2-CG 4.4Å; L22-K24 HydrophobicContact CG-CG 4.41Å; L22-F29 WeakPolarHBondContact O-CZ 3.23Å; L22-E35 HydrophobicContact CD2-CB 4.36Å; L22-E35 WeakPolarHBondContact CD2-OE2 3.44Å; L22-V85 WeakPolarHBondContact CD1-O 3.38Å; L22-Y86 HydrophobicContact CB-CD1 4.31Å; L22-Y86 HydrophobicContact CB-CE1 3.97Å; L22-Y86 HydrophobicContact CD1-CE1 4.1Å; L22-Y86 HydrophobicContact CD1-CE2 4.02Å
23V98.7Very high97.9Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-107.5125.1-179.1178.60000109.9P8 L14 R15 A16 G21 F58 L61 V85 A87P8-V23 HydrophobicContact CG-CG1 4.34Å; P8-V23 WeakPolarHBondContact CG-O 3.43Å; L14-V23 HydrophobicContact CB-CG1 4.17Å; L14-V23 HydrophobicContact CD1-CG1 4.26Å; L14-V23 HydrophobicContact CD2-CG1 4.1Å; L14-V23 HydrophobicContact CG-CG1 4.42Å; R15-V23 VanDerWaalsContact O-CA 3.27Å; R15-V23 WeakPolarHBondContact O-CA 3.29Å; A16-V23 HydrophobicContact CB-CG2 3.94Å; G21-V23 PolarHBondContact O-N 3.22Å; V23-F58 HydrophobicContact CG1-CE2 4.47Å; V23-F58 HydrophobicContact CG1-CZ 4.04Å; V23-F58 HydrophobicContact CG2-CE2 4.32Å; V23-L61 HydrophobicContact CB-CD2 4.23Å; V23-L61 HydrophobicContact CG1-CD2 3.96Å; V23-L61 HydrophobicContact CG2-CD2 4.01Å; V23-V85 HydrophobicContact CB-CG1 4.25Å; V23-V85 PolarHBondContact N-O 3.34Å; V23-A87 HydrophobicContact CG2-CB 3.86Å
24K98.2Very high98Very high0 Ų021.1 Ų21.10%011%0.109CC..EExtended strand (participates in β ladder)trans-145.9171.1171.9-61.1-165.9-59.8-178.70109.9S5 R15 L22 Q28 F29 G33 E35S5-K24 WeakPolarHBondContact O-CD 3.48Å; R15-K24 PolarHBondContact N-O 3.34Å; R15-K24 PolarHBondContact O-N 3.1Å; R15-K24 VanDerWaalsContact O-N 3.11Å; L22-K24 HydrophobicContact CD2-CD 4.28Å; L22-K24 HydrophobicContact CD2-CG 4.4Å; L22-K24 HydrophobicContact CG-CG 4.41Å; K24-Q28 HydrophobicContact CB-CB 3.91Å; K24-Q28 HydrophobicContact CD-CB 4.21Å; K24-F29 HydrophobicContact CB-CD2 4.01Å; K24-F29 HydrophobicContact CB-CE1 4.47Å; K24-F29 HydrophobicContact CB-CE2 3.72Å; K24-F29 HydrophobicContact CB-CG 4.5Å; K24-F29 HydrophobicContact CB-CZ 3.96Å; K24-F29 HydrophobicContact CG-CE2 4.49Å; K24-F29 HydrophobicContact CG-CZ 4.25Å; K24-G33 WeakPolarHBondContact CE-O 2.92Å; K24-G33 PolarHBondContact NZ-O 3.13Å; K24-E35 VanDerWaalsContact CE-OE2 3.25Å; K24-E35 WeakPolarHBondContact CE-OE2 3.24Å; K24-E35 IonicContact NZ-OE1 2.78Å; K24-E35 PolarHBondContact NZ-OE1 3.37Å; K24-E35 IonicContact NZ-OE2 2.73Å; K24-E35 PolarHBondContact NZ-OE2 3.02Å
25T97.9Very high97.9Very high3 Ų322 Ų222%0.01811%0.113CC..EExtended strand (participates in β ladder)trans-68.4155.2169.166.60000110.6E10 L14 N27 Q28 F29E10-T25 HydrophobicContact CG-CG2 3.73Å; L14-T25 HydrophobicContact CD2-CG2 4.19Å; T25-N27 PolarHBondContact O-N 2.95Å; T25-Q28 VanDerWaalsContact N-OE1 3.12Å; T25-Q28 PolarHBondContact O-N 2.77Å; T25-Q28 VanDerWaalsContact O-N 3.1Å; T25-Q28 WeakPolarHBondContact OG1-CB 3.36Å; T25-Q28 VanDerWaalsContact OG1-CG 3.25Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.49Å; T25-Q28 PolarHBondContact OG1-N 3.13Å; T25-Q28 VanDerWaalsContact OG1-N 3.15Å; T25-Q28 PolarHBondContact OG1-OE1 2.87Å; T25-Q28 VanDerWaalsContact OG1-OE1 3.07Å; T25-F29 PolarHBondContact O-N 2.81Å; T25-F29 VanDerWaalsContact O-N 3.13Å
26L97.9Very high97.8Very high3 Ų322.1 Ų22.12%0.01612%0.116CC..Hα-helixtrans-48.8-45.7171.5179.171.1000112.1Q13 Q28 F29 Q30 R47 V50 Y51Q13-L26 HydrophobicContact CB-CB 4.35Å; Q13-L26 PolarHBondContact O-N 2.85Å; L26-Q28 PolarHBondContact O-N 3.35Å; L26-F29 PolarHBondContact O-N 3.42Å; L26-Q30 PolarHBondContact O-N 2.91Å; L26-R47 VanDerWaalsContact CD2-NH1 3.26Å; L26-V50 HydrophobicContact CD1-CB 4.23Å; L26-V50 HydrophobicContact CD1-CG1 3.58Å; L26-Y51 HydrophobicContact CD1-CD1 4.48Å; L26-Y51 HydrophobicContact CD1-CE1 4.12Å; L26-Y51 HydrophobicContact CD1-CE2 4.21Å; L26-Y51 HydrophobicContact CD2-CE1 4.42Å; L26-Y51 HydrophobicContact CD2-CE2 4.43Å; L26-Y51 WeakPolarHBondContact CD2-OH 3.17Å
27N96.7Very high97.8Very high70 Ų7022.4 Ų22.437%0.37412%0.117SC..Hα-helixtrans-66.6-37.7-179.2-66.8-20.4000112.1T25 Q30 L31T25-N27 PolarHBondContact O-N 2.95Å; N27-Q30 PolarHBondContact O-N 3.3Å; N27-L31 WeakPolarHBondContact O-CB 3.19Å; N27-L31 VanDerWaalsContact O-CG 3.29Å; N27-L31 WeakPolarHBondContact O-CG 3.45Å; N27-L31 PolarHBondContact O-N 3.48Å
28Q97.5Very high97.7Very high14 Ų1423.8 Ų23.87%0.06512%0.124CC..Hα-helixtrans-65.8-38.3176.7-78174.9-70.100112.8S5 I7 S9 K24 T25 L26 N32S5-Q28 PolarHBondContact O-NE2 2.82Å; I7-Q28 PolarHBondContact O-NE2 3.03Å; S9-Q28 PolarHBondContact OG-OE1 3.28Å; K24-Q28 HydrophobicContact CB-CB 3.91Å; K24-Q28 HydrophobicContact CD-CB 4.21Å; T25-Q28 VanDerWaalsContact N-OE1 3.12Å; T25-Q28 PolarHBondContact O-N 2.77Å; T25-Q28 VanDerWaalsContact O-N 3.1Å; T25-Q28 WeakPolarHBondContact OG1-CB 3.36Å; T25-Q28 VanDerWaalsContact OG1-CG 3.25Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.49Å; T25-Q28 PolarHBondContact OG1-N 3.13Å; T25-Q28 VanDerWaalsContact OG1-N 3.15Å; T25-Q28 PolarHBondContact OG1-OE1 2.87Å; T25-Q28 VanDerWaalsContact OG1-OE1 3.07Å; L26-Q28 PolarHBondContact O-N 3.35Å; Q28-N32 WeakPolarHBondContact O-CB 3.47Å; Q28-N32 PolarHBondContact O-N 3.43Å
29F98.1Very high97.6Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-65.8-42.9172-79.1-62.1000111.8R15 C17 L22 K24 T25 L26 L31 G33 C34 M43 V50R15-F29 HydrophobicContact CB-CD2 4.45Å; R15-F29 HydrophobicContact CB-CE2 4.23Å; R15-F29 WeakPolarHBondContact O-CE2 3.46Å; C17-F29 HydrophobicContact CB-CE1 4.43Å; C17-F29 HydrophobicContact CB-CZ 4.3Å; L22-F29 WeakPolarHBondContact O-CZ 3.23Å; K24-F29 HydrophobicContact CB-CD2 4.01Å; K24-F29 HydrophobicContact CB-CE1 4.47Å; K24-F29 HydrophobicContact CB-CE2 3.72Å; K24-F29 HydrophobicContact CB-CG 4.5Å; K24-F29 HydrophobicContact CB-CZ 3.96Å; K24-F29 HydrophobicContact CG-CE2 4.49Å; K24-F29 HydrophobicContact CG-CZ 4.25Å; T25-F29 PolarHBondContact O-N 2.81Å; T25-F29 VanDerWaalsContact O-N 3.13Å; L26-F29 PolarHBondContact O-N 3.42Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 3.01Å; F29-G33 WeakPolarHBondContact CD1-O 3.17Å; F29-G33 WeakPolarHBondContact O-CA 3.03Å; F29-G33 PolarHBondContact O-N 2.89Å; F29-C34 HydrophobicContact CD1-CB 4.15Å; F29-C34 HydrophobicContact CE1-CB 3.85Å; F29-M43 HydrophobicContact CD1-CE 3.97Å; F29-M43 HydrophobicContact CE1-CE 4.31Å; F29-V50 HydrophobicContact CB-CB 4.43Å; F29-V50 HydrophobicContact CB-CG1 3.6Å; F29-V50 HydrophobicContact CB-CG2 3.83Å; F29-V50 HydrophobicContact CD2-CG1 4.38Å; F29-V50 HydrophobicContact CG-CG1 4.27Å
30Q97.3Very high97.5Very high59 Ų5931.1 Ų31.128%0.27616%0.16SC..Hα-helixtrans-63.4-39.7178.5-173.9-179.4-8.600111.9L26 N27 G45 R47 V50L26-Q30 PolarHBondContact O-N 2.91Å; N27-Q30 PolarHBondContact O-N 3.3Å; Q30-G45 PolarHBondContact O-N 3.08Å; Q30-R47 HydrophobicContact CG-CB 4.36Å; Q30-V50 HydrophobicContact CB-CG2 4.28Å
31L96.5Very high97.4Very high117 Ų11730.8 Ų30.861%0.61316%0.157SC*.Hα-helixtrans-76.5-42.4-177.9-73.4167.8000113.3N27 F29 Q44N27-L31 WeakPolarHBondContact O-CB 3.19Å; N27-L31 VanDerWaalsContact O-CG 3.29Å; N27-L31 WeakPolarHBondContact O-CG 3.45Å; N27-L31 PolarHBondContact O-N 3.48Å; F29-L31 VanDerWaalsContact C-N 3.33Å; F29-L31 PolarHBondContact O-N 3.01Å; L31-Q44 WeakPolarHBondContact O-CG 3.5Å; L31-Q44 PolarHBondContact O-NE2 3.39Å
32N96.5Very high97.4Very high74 Ų7436 Ų3640%0.39618%0.179SC..Hα-helixtrans-121.2-1.9-166.6-58.4-42.7000114Q28Q28-N32 WeakPolarHBondContact O-CB 3.47Å; Q28-N32 PolarHBondContact O-N 3.43Å
33G97.4Very high97.3Very high0 Ų036 Ų360%018%0.179CC..  trans70.1-162.5-173.600000113.3K24 F29 E38K24-G33 WeakPolarHBondContact CE-O 2.92Å; K24-G33 PolarHBondContact NZ-O 3.13Å; F29-G33 WeakPolarHBondContact CD1-O 3.17Å; F29-G33 WeakPolarHBondContact O-CA 3.03Å; F29-G33 PolarHBondContact O-N 2.89Å; G33-E38 VanDerWaalsContact CA-CD 3.44Å; G33-E38 WeakPolarHBondContact CA-OE2 3.43Å
34C97.9Very high97.3Very high0 Ų041.6 Ų41.60%021%0.205CC..  trans-102.9124.1168.9174.60000111.4F29 N36 C37 E38 M43F29-C34 HydrophobicContact CD1-CB 4.15Å; F29-C34 HydrophobicContact CE1-CB 3.85Å; C34-N36 PolarHBondContact O-N 3.3Å; C34-C37 HydrophobicContact CB-CB 4.06Å; C34-C37 PolarHBondContact O-N 2.98Å; C34-E38 PolarHBondContact N-OE2 3.31Å; C34-E38 VanDerWaalsContact O-CB 3.23Å; C34-E38 WeakPolarHBondContact O-CB 3.47Å; C34-E38 PolarHBondContact O-N 2.98Å; C34-M43 HydrophobicContact CB-CE 3.28Å
35E97.3Very high97.3Very high41 Ų4144.6 Ų44.619%0.19224%0.236CC..THydrogen-bonded Turntrans-57.6-25.7-175.9-72.676-171.300113.9V6 L22 K24V6-E35 HydrophobicContact CG1-CG 4.32Å; V6-E35 HydrophobicContact CG2-CG 3.78Å; L22-E35 HydrophobicContact CD2-CB 4.36Å; L22-E35 WeakPolarHBondContact CD2-OE2 3.44Å; K24-E35 VanDerWaalsContact CE-OE2 3.25Å; K24-E35 WeakPolarHBondContact CE-OE2 3.24Å; K24-E35 IonicContact NZ-OE1 2.78Å; K24-E35 PolarHBondContact NZ-OE1 3.37Å; K24-E35 IonicContact NZ-OE2 2.73Å; K24-E35 PolarHBondContact NZ-OE2 3.02Å
36N97.3Very high97.3Very high32 Ų3247.6 Ų47.617%0.17125%0.252CS..THydrogen-bonded Turntrans-97.2-18.1178.5-58.7-45.6000113.7C20 C34 L81 T82 Y86C20-N36 HydrophobicContact CB-CB 4.13Å; C34-N36 PolarHBondContact O-N 3.3Å; N36-L81 HydrophobicContact CB-CD2 4.26Å; N36-T82 WeakPolarHBondContact OD1-CB 3.49Å; N36-T82 PolarHBondContact OD1-N 3.11Å; N36-T82 PolarHBondContact OD1-OG1 3.4Å; N36-Y86 PolarHBondContact ND2-OH 3.48Å
37C98Very high97.3Very high5 Ų551.8 Ų51.83%0.03427%0.268CS..THydrogen-bonded Turntrans-135.4-3.1-161.8-56.90000114.5L19 C20 C34 D39 F40 L41L19-C37 HydrophobicContact CD2-CB 4.08Å; C20-C37 VanDerWaalsContact CB-SG 3.56Å; C34-C37 HydrophobicContact CB-CB 4.06Å; C34-C37 PolarHBondContact O-N 2.98Å; C37-D39 PolarHBondContact O-N 3.15Å; C37-F40 PolarHBondContact O-N 3.5Å; C37-L41 HydrophobicContact CB-CD1 3.56Å; C37-L41 HydrophobicContact CB-CG 3.92Å; C37-L41 PolarHBondContact O-N 3.26Å
38E97Very high97.3Very high30 Ų3055.5 Ų55.514%0.1428%0.283CS..Hα-helixtrans-62.8-28.7-173.7-167.854.1-148.800113.3G33 C34 F40 K42 M43 Q44G33-E38 VanDerWaalsContact CA-CD 3.44Å; G33-E38 WeakPolarHBondContact CA-OE2 3.43Å; C34-E38 PolarHBondContact N-OE2 3.31Å; C34-E38 VanDerWaalsContact O-CB 3.23Å; C34-E38 WeakPolarHBondContact O-CB 3.47Å; C34-E38 PolarHBondContact O-N 2.98Å; E38-F40 PolarHBondContact O-N 3.18Å; E38-F40 VanDerWaalsContact O-N 3.1Å; E38-K42 WeakPolarHBondContact O-CD 3.38Å; E38-K42 WeakPolarHBondContact O-CE 3.5Å; E38-K42 PolarHBondContact O-N 2.57Å; E38-K42 PolarHBondContact O-NZ 3.01Å; E38-K42 VanDerWaalsContact OE1-C 3.22Å; E38-K42 WeakPolarHBondContact OE1-CA 3.16Å; E38-M43 PolarHBondContact OE1-N 3.07Å; E38-M43 PolarHBondContact OE2-N 3.32Å; E38-Q44 HydrophobicContact CG-CB 4.44Å; E38-Q44 VanDerWaalsContact OE1-CB 3.26Å; E38-Q44 WeakPolarHBondContact OE1-CB 3.31Å; E38-Q44 PolarHBondContact OE1-N 3.04Å
39D96.2Very high97.4Very high120 Ų12056.9 Ų56.964%0.64229%0.289SS*.Hα-helixtrans-59.6-23.1173.7-72.9-24.1000113.1C37 K42C37-D39 PolarHBondContact O-N 3.15Å; D39-K42 WeakPolarHBondContact O-CE 3.47Å; D39-K42 PolarHBondContact O-NZ 3.1Å
40F95.5Very high97.4Very high71 Ų7156.9 Ų56.931%0.31129%0.289SS..Hα-helixtrans-116.6-40.7-175.3-44.2-65.2000113.6C37 E38 Y101 L102 I107C37-F40 PolarHBondContact O-N 3.5Å; E38-F40 PolarHBondContact O-N 3.18Å; E38-F40 VanDerWaalsContact O-N 3.1Å; F40-Y101 HydrophobicContact CB-CE1 4.41Å; F40-Y101 WeakPolarHBondContact O-CE1 3.11Å; F40-L102 HydrophobicContact CB-CD2 3.62Å; F40-L102 HydrophobicContact CG-CD2 4.24Å; F40-I107 HydrophobicContact CB-CD1 4.37Å; F40-I107 HydrophobicContact CD1-CD1 3.29Å; F40-I107 HydrophobicContact CD2-CD1 3.58Å; F40-I107 HydrophobicContact CE1-CD1 3.3Å; F40-I107 HydrophobicContact CE2-CD1 3.57Å; F40-I107 HydrophobicContact CG-CD1 3.44Å; F40-I107 VanDerWaalsContact CG-CD1 3.44Å; F40-I107 HydrophobicContact CZ-CD1 3.43Å; F40-I107 VanDerWaalsContact CZ-CD1 3.43Å
41L97.4Very high97.4Very high3 Ų359 Ų592%0.01630%0.295CS..Hα-helixtrans-86.7-23.4-173.6-61.4-178.2000113.5L19 C37 M43 K49 C53 L94 I98L19-L41 HydrophobicContact CB-CD1 4.04Å; L19-L41 HydrophobicContact CD2-CD1 4.29Å; L19-L41 HydrophobicContact CD2-CD2 4.29Å; L19-L41 HydrophobicContact CD2-CG 4.3Å; C37-L41 HydrophobicContact CB-CD1 3.56Å; C37-L41 HydrophobicContact CB-CG 3.92Å; C37-L41 PolarHBondContact O-N 3.26Å; L41-M43 VanDerWaalsContact C-N 3.35Å; L41-M43 HydrophobicContact CB-CE 4.29Å; L41-M43 HydrophobicContact CB-CG 4.18Å; L41-M43 HydrophobicContact CD1-CE 4.08Å; L41-M43 PolarHBondContact O-N 3.05Å; L41-K49 WeakPolarHBondContact O-CG 3.41Å; L41-C53 HydrophobicContact CD1-CB 4.2Å; L41-L94 HydrophobicContact CD2-CD1 4.31Å; L41-L94 HydrophobicContact CD2-CD2 4.47Å; L41-I98 HydrophobicContact CD2-CG2 3.74Å
42K97.1Very high97.5Very high115 Ų11557.5 Ų57.550%0.529%0.285SS..  trans50.549.7175.4-57.1-64.4171.2-155.10113.3E38 D39E38-K42 WeakPolarHBondContact O-CD 3.38Å; E38-K42 WeakPolarHBondContact O-CE 3.5Å; E38-K42 PolarHBondContact O-N 2.57Å; E38-K42 PolarHBondContact O-NZ 3.01Å; E38-K42 VanDerWaalsContact OE1-C 3.22Å; E38-K42 WeakPolarHBondContact OE1-CA 3.16Å; D39-K42 WeakPolarHBondContact O-CE 3.47Å; D39-K42 PolarHBondContact O-NZ 3.1Å
43M97.7Very high97.6Very high0 Ų054 Ų540%027%0.266CS..  trans-82.5-20.8-179.4-70.5-175.4-71.800113.2F29 C34 E38 L41 G45 D46 K49 V50 C53F29-M43 HydrophobicContact CD1-CE 3.97Å; F29-M43 HydrophobicContact CE1-CE 4.31Å; C34-M43 HydrophobicContact CB-CE 3.28Å; E38-M43 PolarHBondContact OE1-N 3.07Å; E38-M43 PolarHBondContact OE2-N 3.32Å; L41-M43 VanDerWaalsContact C-N 3.35Å; L41-M43 HydrophobicContact CB-CE 4.29Å; L41-M43 HydrophobicContact CB-CG 4.18Å; L41-M43 HydrophobicContact CD1-CE 4.08Å; L41-M43 PolarHBondContact O-N 3.05Å; M43-G45 PolarHBondContact O-N 3.32Å; M43-D46 PolarHBondContact O-N 3.22Å; M43-K49 HydrophobicContact CG-CB 4.49Å; M43-K49 HydrophobicContact CG-CG 4.2Å; M43-V50 HydrophobicContact CB-CG2 3.95Å; M43-V50 HydrophobicContact CG-CG2 4.46Å; M43-C53 HydrophobicContact CG-CB 3.88Å; M43-C53 HydrophobicContact SD-CB 3.44Å; M43-C53 WeakPolarHBondContact SD-CB 3.49Å
44Q97.8Very high97.6Very high116 Ų11654 Ų5454%0.54227%0.266SS..THydrogen-bonded Turntrans-62.7127.8-176.3-173.6177.324.700111L31 E38 D46L31-Q44 WeakPolarHBondContact O-CG 3.5Å; L31-Q44 PolarHBondContact O-NE2 3.39Å; E38-Q44 HydrophobicContact CG-CB 4.44Å; E38-Q44 VanDerWaalsContact OE1-CB 3.26Å; E38-Q44 WeakPolarHBondContact OE1-CB 3.31Å; E38-Q44 PolarHBondContact OE1-N 3.04Å; Q44-D46 PolarHBondContact O-N 3.23Å
45G97.8Very high97.7Very high64 Ų6454.7 Ų54.766%0.6627%0.271SS*.THydrogen-bonded Turntrans79.1-8.3-17700000114.5Q30 M43Q30-G45 PolarHBondContact O-N 3.08Å; M43-G45 PolarHBondContact O-N 3.32Å
46D98Very high97.7Very high66 Ų6655.3 Ų55.335%0.35328%0.283SS..  trans-121.398.4-174-170.9-23.8000111.4M43 Q44 E48 K49 V50M43-D46 PolarHBondContact O-N 3.22Å; Q44-D46 PolarHBondContact O-N 3.23Å; D46-E48 VanDerWaalsContact C-N 3.32Å; D46-E48 PolarHBondContact O-N 3Å; D46-E48 PolarHBondContact OD1-N 3.35Å; D46-K49 HydrophobicContact CB-CB 3.75Å; D46-K49 VanDerWaalsContact CG-CB 3.45Å; D46-K49 PolarHBondContact O-N 3.36Å; D46-K49 PolarHBondContact OD1-N 2.95Å; D46-V50 WeakPolarHBondContact O-CG2 3.45Å; D46-V50 PolarHBondContact O-N 3.03Å
47R97.8Very high97.8Very high91 Ų9159 Ų5934%0.34330%0.303SS..Hα-helixtrans-65.4-34.5-179.2-172.8177.717198.4-3.6112.6L26 Q30 V50 Y51L26-R47 VanDerWaalsContact CD2-NH1 3.26Å; Q30-R47 HydrophobicContact CG-CB 4.36Å; R47-V50 WeakPolarHBondContact O-CB 3.43Å; R47-V50 PolarHBondContact O-N 3.24Å; R47-Y51 HydrophobicContact CG-CD2 4.21Å; R47-Y51 HydrophobicContact CG-CE2 3.83Å; R47-Y51 PolarHBondContact NH2-OH 2.99Å; R47-Y51 WeakPolarHBondContact O-CD2 3.1Å; R47-Y51 PolarHBondContact O-N 2.84Å
48E97.9Very high97.8Very high147 Ų14760.8 Ų60.869%0.68731%0.31SS*.Hα-helixtrans-67.8-43.5178.6-65.8-175.2168.200109.5D46 V50 Y51 E52D46-E48 VanDerWaalsContact C-N 3.32Å; D46-E48 PolarHBondContact O-N 3Å; D46-E48 PolarHBondContact OD1-N 3.35Å; E48-V50 VanDerWaalsContact C-N 3.27Å; E48-V50 PolarHBondContact O-N 3.04Å; E48-Y51 WeakPolarHBondContact O-CA 3.5Å; E48-Y51 WeakPolarHBondContact O-CB 3.48Å; E48-Y51 PolarHBondContact O-N 2.95Å; E48-E52 PolarHBondContact O-N 2.73Å
49K97.9Very high97.8Very high43 Ų4363.2 Ų63.219%0.18732%0.324CS..Hα-helixtrans-59.2-37.3173.2-154.378.1-164.7157.50112.8L41 M43 D46 Y51 E52 C53 I98L41-K49 WeakPolarHBondContact O-CG 3.41Å; M43-K49 HydrophobicContact CG-CB 4.49Å; M43-K49 HydrophobicContact CG-CG 4.2Å; D46-K49 HydrophobicContact CB-CB 3.75Å; D46-K49 VanDerWaalsContact CG-CB 3.45Å; D46-K49 PolarHBondContact O-N 3.36Å; D46-K49 PolarHBondContact OD1-N 2.95Å; K49-Y51 VanDerWaalsContact C-N 3.33Å; K49-Y51 PolarHBondContact O-N 2.88Å; K49-E52 IonicContact NZ-OE2 2.77Å; K49-E52 PolarHBondContact NZ-OE2 2.84Å; K49-E52 PolarHBondContact O-N 3.46Å; K49-C53 VanDerWaalsContact O-CB 3.24Å; K49-C53 WeakPolarHBondContact O-CB 3.25Å; K49-C53 PolarHBondContact O-N 3.44Å; K49-C53 PolarHBondContact O-SG 3.43Å; K49-I98 VanDerWaalsContact NZ-CD1 3.35Å
50V98.5Very high97.8Very high0 Ų059.2 Ų59.20%031%0.312CS..Hα-helixtrans-59.7-45172.5179.80000110.8L26 F29 Q30 M43 D46 R47 E48 E52 C53 S54L26-V50 HydrophobicContact CD1-CB 4.23Å; L26-V50 HydrophobicContact CD1-CG1 3.58Å; F29-V50 HydrophobicContact CB-CB 4.43Å; F29-V50 HydrophobicContact CB-CG1 3.6Å; F29-V50 HydrophobicContact CB-CG2 3.83Å; F29-V50 HydrophobicContact CD2-CG1 4.38Å; F29-V50 HydrophobicContact CG-CG1 4.27Å; Q30-V50 HydrophobicContact CB-CG2 4.28Å; M43-V50 HydrophobicContact CB-CG2 3.95Å; M43-V50 HydrophobicContact CG-CG2 4.46Å; D46-V50 WeakPolarHBondContact O-CG2 3.45Å; D46-V50 PolarHBondContact O-N 3.03Å; R47-V50 WeakPolarHBondContact O-CB 3.43Å; R47-V50 PolarHBondContact O-N 3.24Å; E48-V50 VanDerWaalsContact C-N 3.27Å; E48-V50 PolarHBondContact O-N 3.04Å; V50-E52 VanDerWaalsContact C-N 3.34Å; V50-E52 PolarHBondContact O-N 2.71Å; V50-C53 PolarHBondContact O-N 3.49Å; V50-S54 WeakPolarHBondContact O-CB 3.48Å; V50-S54 PolarHBondContact O-N 3.5Å; V50-S54 VanDerWaalsContact O-N 3.07Å; V50-S54 PolarHBondContact O-OG 2.97Å
51Y98.4Very high97.9Very high105 Ų10560.2 Ų60.241%0.41232%0.32SS..Hα-helixtrans-63.7-38.1177.4-76.6-70.4000112.7R15 L26 R47 E48 K49 S54R15-Y51 PolarHBondContact NH2-O 3.2Å; L26-Y51 HydrophobicContact CD1-CD1 4.48Å; L26-Y51 HydrophobicContact CD1-CE1 4.12Å; L26-Y51 HydrophobicContact CD1-CE2 4.21Å; L26-Y51 HydrophobicContact CD2-CE1 4.42Å; L26-Y51 HydrophobicContact CD2-CE2 4.43Å; L26-Y51 WeakPolarHBondContact CD2-OH 3.17Å; R47-Y51 HydrophobicContact CG-CD2 4.21Å; R47-Y51 HydrophobicContact CG-CE2 3.83Å; R47-Y51 PolarHBondContact NH2-OH 2.99Å; R47-Y51 WeakPolarHBondContact O-CD2 3.1Å; R47-Y51 PolarHBondContact O-N 2.84Å; E48-Y51 WeakPolarHBondContact O-CA 3.5Å; E48-Y51 WeakPolarHBondContact O-CB 3.48Å; E48-Y51 PolarHBondContact O-N 2.95Å; K49-Y51 VanDerWaalsContact C-N 3.33Å; K49-Y51 PolarHBondContact O-N 2.88Å; Y51-S54 VanDerWaalsContact O-O 3.04Å
52E97.8Very high97.9Very high84 Ų8461.5 Ų61.539%0.39333%0.326SS..Hα-helixtrans-68.9-37.7177-68.9179.7173.100113.3L18 E48 K49 V50 P95L18-E52 WeakPolarHBondContact CD1-O 3.45Å; E48-E52 PolarHBondContact O-N 2.73Å; K49-E52 IonicContact NZ-OE2 2.77Å; K49-E52 PolarHBondContact NZ-OE2 2.84Å; K49-E52 PolarHBondContact O-N 3.46Å; V50-E52 VanDerWaalsContact C-N 3.34Å; V50-E52 PolarHBondContact O-N 2.71Å; E52-P95 HydrophobicContact CB-CG 4.24Å
53C98.5Very high98Very high0 Ų059.3 Ų59.30%033%0.33CS..Hα-helixtrans-100.20.7-169.9-66.40000114.3L18 L41 M43 K49 V50 L94 I98L18-C53 PolarHBondContact N-O 2.96Å; L41-C53 HydrophobicContact CD1-CB 4.2Å; M43-C53 HydrophobicContact CG-CB 3.88Å; M43-C53 HydrophobicContact SD-CB 3.44Å; M43-C53 WeakPolarHBondContact SD-CB 3.49Å; K49-C53 VanDerWaalsContact O-CB 3.24Å; K49-C53 WeakPolarHBondContact O-CB 3.25Å; K49-C53 PolarHBondContact O-N 3.44Å; K49-C53 PolarHBondContact O-SG 3.43Å; V50-C53 PolarHBondContact O-N 3.49Å; C53-L94 HydrophobicContact CB-CD2 4.19Å; C53-I98 WeakPolarHBondContact SG-CD1 3.46Å
54S98.7Very high98Very high2 Ų259.9 Ų59.91%0.01433%0.332CS..EExtended strand (participates in β ladder)trans-141.7158.4178.570.90000111.8R15 A16 V50 Y51R15-S54 WeakPolarHBondContact CD-OG 3.31Å; R15-S54 PolarHBondContact NE-OG 3.28Å; R15-S54 PolarHBondContact NH2-O 2.96Å; A16-S54 CarbonylContact O-C 3.54Å; A16-S54 WeakPolarHBondContact O-CA 3.41Å; A16-S54 VanDerWaalsContact O-CB 3.31Å; A16-S54 WeakPolarHBondContact O-CB 3.48Å; V50-S54 WeakPolarHBondContact O-CB 3.48Å; V50-S54 PolarHBondContact O-N 3.5Å; V50-S54 VanDerWaalsContact O-N 3.07Å; V50-S54 PolarHBondContact O-OG 2.97Å; Y51-S54 VanDerWaalsContact O-O 3.04Å
55S98.6Very high97.9Very high13 Ų1361.5 Ų61.59%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-122138.1-179.3-174.70000111.6R15 A16 N57 Y91R15-S55 CarbonylContact C-O 3.55Å; R15-S55 WeakPolarHBondContact CA-O 3.45Å; A16-S55 PolarHBondContact N-O 3.01Å; A16-S55 PolarHBondContact O-N 2.93Å; S55-N57 PolarHBondContact OG-N 3.19Å; S55-N57 PolarHBondContact OG-O 2.78Å; S55-Y91 WeakPolarHBondContact CB-O 3.16Å; S55-Y91 PolarHBondContact OG-O 2.76Å
56A98.5Very high97.9Very high54 Ų5462 Ų6245%0.44634%0.335SS..SBendtrans-79.1-10.4166.800000112.3
57N98Very high97.8Very high111 Ų11159.2 Ų59.259%0.59432%0.321SS*.  trans-100.4102.8-179.8-60.6-26.1000108.4S55 Y91S55-N57 PolarHBondContact OG-N 3.19Å; S55-N57 PolarHBondContact OG-O 2.78Å; N57-Y91 HydrophobicContact CB-CD2 4.24Å; N57-Y91 WeakPolarHBondContact O-CB 3.46Å; N57-Y91 WeakPolarHBondContact O-CD2 3.25Å; N57-Y91 PolarHBondContact O-N 3.14Å
58F98.2Very high97.8Very high41 Ų4161.9 Ų61.918%0.1834%0.342CS..EExtended strand (participates in β ladder)trans-150.8157.3177.365.8-93.3000109.5L14 A16 V23 L61 A87 S89 V90L14-F58 HydrophobicContact CB-CE1 3.96Å; L14-F58 HydrophobicContact CB-CZ 3.85Å; L14-F58 HydrophobicContact CD1-CZ 4.27Å; A16-F58 HydrophobicContact CB-CB 3.96Å; A16-F58 HydrophobicContact CB-CD1 3.96Å; A16-F58 HydrophobicContact CB-CG 3.98Å; V23-F58 HydrophobicContact CG1-CE2 4.47Å; V23-F58 HydrophobicContact CG1-CZ 4.04Å; V23-F58 HydrophobicContact CG2-CE2 4.32Å; F58-L61 HydrophobicContact CE2-CD2 3.63Å; F58-L61 HydrophobicContact CE2-CG 4.33Å; F58-L61 HydrophobicContact CZ-CD2 4.29Å; F58-A87 HydrophobicContact CB-CB 3.84Å; F58-A87 HydrophobicContact CD2-CB 3.74Å; F58-A87 HydrophobicContact CG-CB 4.02Å; F58-S89 CarbonylContact C-O 3.47Å; F58-S89 VanDerWaalsContact CA-O 3.24Å; F58-S89 WeakPolarHBondContact CA-O 3.41Å; F58-S89 VanDerWaalsContact CB-O 3.25Å; F58-S89 WeakPolarHBondContact CB-O 3.49Å; F58-V90 HydrophobicContact CB-CG1 4.48Å; F58-V90 HydrophobicContact CB-CG2 4.36Å
59D97.4Very high97.8Very high81 Ų8161.9 Ų61.943%0.43335%0.347SS..EExtended strand (participates in β ladder)trans-115141177.1-73.4-46.4000111.7I88 S89 Y91D59-I88 WeakPolarHBondContact O-CA 3.5Å; D59-I88 WeakPolarHBondContact O-CB 3.43Å; D59-I88 PolarHBondContact O-N 3.19Å; D59-S89 PolarHBondContact N-O 2.92Å; D59-S89 PolarHBondContact O-N 2.79Å; D59-S89 VanDerWaalsContact O-N 3.15Å; D59-Y91 WeakPolarHBondContact OD2-CE2 3.3Å; D59-Y91 PolarHBondContact OD2-OH 3.36Å
60G96.8Very high97.8Very high37 Ų3761.1 Ų61.138%0.38135%0.347SS..EExtended strand (participates in β ladder)trans68.2157.3174.500000113.9A87G60-A87 WeakPolarHBondContact O-CA 3.4Å
61L97.8Very high97.8Very high92 Ų9269 Ų6948%0.48238%0.376SS..EExtended strand (participates in β ladder)trans-128.3137.8173.6-69.4173.1000109.4V23 F58 V85 Y86V23-L61 HydrophobicContact CB-CD2 4.23Å; V23-L61 HydrophobicContact CG1-CD2 3.96Å; V23-L61 HydrophobicContact CG2-CD2 4.01Å; F58-L61 HydrophobicContact CE2-CD2 3.63Å; F58-L61 HydrophobicContact CE2-CG 4.33Å; F58-L61 HydrophobicContact CZ-CD2 4.29Å; L61-V85 HydrophobicContact CB-CG1 4.29Å; L61-V85 HydrophobicContact CD2-CG1 3.79Å; L61-Y86 CarbonylContact C-O 3.41Å; L61-Y86 WeakPolarHBondContact CA-O 3.49Å
62L97.3Very high97.8Very high29 Ų2966.4 Ų66.415%0.15237%0.372CS..EExtended strand (participates in β ladder)trans-126.1106.4-179.6-179.487.4000108.7M64 V72 Q76 I78 V85 Y86L62-M64 HydrophobicContact CD1-CE 4.35Å; L62-M64 HydrophobicContact CD2-CB 4.35Å; L62-M64 HydrophobicContact CD2-CE 3.49Å; L62-M64 VanDerWaalsContact CD2-CE 3.49Å; L62-M64 HydrophobicContact CG-CE 4.06Å; L62-M64 PolarHBondContact O-N 3.34Å; L62-M64 VanDerWaalsContact O-N 3.14Å; L62-V72 HydrophobicContact CD1-CB 4.35Å; L62-V72 HydrophobicContact CD1-CG1 3.35Å; L62-V72 HydrophobicContact CD2-CG1 4.26Å; L62-V72 HydrophobicContact CG-CG1 4.44Å; L62-Q76 HydrophobicContact CD2-CG 4.49Å; L62-I78 HydrophobicContact CD2-CD1 3.42Å; L62-I78 VanDerWaalsContact CD2-CD1 3.42Å; L62-V85 CarbonylContact O-C 3.35Å; L62-V85 WeakPolarHBondContact O-CA 3.44Å; L62-Y86 WeakPolarHBondContact CB-O 3.28Å; L62-Y86 PolarHBondContact N-O 3.35Å; L62-Y86 PolarHBondContact O-N 3.16Å
63A97.6Very high97.8Very high70 Ų7062.4 Ų62.458%0.57935%0.353SS*.EExtended strand (participates in β ladder)trans-78.794.4171.200000109.6
64M97.6Very high97.8Very high11 Ų1170 Ų705%0.05438%0.382CS..EExtended strand (participates in β ladder)trans-87.7109.9-178.5-173.953.360.400111L62 P67 V72 A73 I78 P83 G84 Y86L62-M64 HydrophobicContact CD1-CE 4.35Å; L62-M64 HydrophobicContact CD2-CB 4.35Å; L62-M64 HydrophobicContact CD2-CE 3.49Å; L62-M64 VanDerWaalsContact CD2-CE 3.49Å; L62-M64 HydrophobicContact CG-CE 4.06Å; L62-M64 PolarHBondContact O-N 3.34Å; L62-M64 VanDerWaalsContact O-N 3.14Å; M64-P67 HydrophobicContact CG-CB 4.09Å; M64-P67 HydrophobicContact CG-CG 3.7Å; M64-V72 HydrophobicContact CE-CB 4.4Å; M64-A73 HydrophobicContact CE-CB 3.57Å; M64-A73 HydrophobicContact SD-CB 3.79Å; M64-I78 HydrophobicContact CB-CD1 4.27Å; M64-I78 HydrophobicContact CE-CD1 4.1Å; M64-I78 HydrophobicContact CG-CD1 4.25Å; M64-P83 CarbonylContact O-C 3.57Å; M64-P83 VanDerWaalsContact O-CA 3.28Å; M64-P83 WeakPolarHBondContact O-CA 3.26Å; M64-G84 PolarHBondContact N-O 2.6Å; M64-G84 PolarHBondContact O-N 3.41Å; M64-Y86 HydrophobicContact CB-CD2 3.94Å; M64-Y86 HydrophobicContact CB-CE2 4.14Å
65M96.6Very high97.6Very high151 Ų15178.4 Ų78.474%0.74441%0.413SS*.SBendtrans-94.7-43.2-179-62.9174.7-177.900112.7P67M65-P67 WeakPolarHBondContact O-CD 3.45Å
66S97.1Very high97.5Very high74 Ų7479 Ų7952%0.51741%0.414SS..  trans-127.876-176.9-590000110.8N68 D69 S70S66-N68 VanDerWaalsContact C-N 3.31Å; S66-N68 PolarHBondContact O-N 2.81Å; S66-D69 CarbonylContact O-C 3.43Å; S66-D69 PolarHBondContact O-N 2.76Å; S66-D69 VanDerWaalsContact O-N 3.09Å; S66-S70 VanDerWaalsContact O-CB 3.31Å; S66-S70 WeakPolarHBondContact O-CB 3.38Å; S66-S70 PolarHBondContact O-N 2.75Å
67P97.6Very high97.4Very high8 Ų880.7 Ų80.75%0.05241%0.414CS..G310 helixtrans-53.4-44-176.8-21.826.9000113.9M64 M65 D69 A73 D79 L81 P83M64-P67 HydrophobicContact CG-CB 4.09Å; M64-P67 HydrophobicContact CG-CG 3.7Å; M65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-D69 PolarHBondContact O-N 3.49Å; P67-A73 HydrophobicContact CB-CB 4.45Å; P67-A73 VanDerWaalsContact O-CB 3.23Å; P67-A73 WeakPolarHBondContact O-CB 3.4Å; P67-D79 CarbonylContact C-O 3.54Å; P67-D79 WeakPolarHBondContact CB-O 3.28Å; P67-D79 WeakPolarHBondContact O-CA 3.29Å; P67-L81 VanDerWaalsContact CG-O 3.26Å; P67-L81 WeakPolarHBondContact CG-O 3.3Å; P67-P83 HydrophobicContact CG-CG 4.21Å
68N97.5Very high97.4Very high146 Ų14675.9 Ų75.978%0.78139%0.388SS*.G310 helixtrans-68.5-16-177.5-65.5-35.4000113.8S66 D79S66-N68 VanDerWaalsContact C-N 3.31Å; S66-N68 PolarHBondContact O-N 2.81Å; N68-D79 PolarHBondContact N-O 2.84Å; N68-D79 PolarHBondContact OD1-O 2.7Å
69D97.8Very high97.3Very high148 Ų14876.1 Ų76.179%0.79139%0.392SS*.G310 helixtrans-128.241.3-177-168.128.7000111.3S66 P67S66-D69 CarbonylContact O-C 3.43Å; S66-D69 PolarHBondContact O-N 2.76Å; S66-D69 VanDerWaalsContact O-N 3.09Å; P67-D69 PolarHBondContact O-N 3.49Å
70S98.2Very high97.3Very high26 Ų2680.9 Ų80.918%0.18241%0.409CS..  trans-135.6122.6-178.4174.30000111.6S66 V72 A73 R74S66-S70 VanDerWaalsContact O-CB 3.31Å; S66-S70 WeakPolarHBondContact O-CB 3.38Å; S66-S70 PolarHBondContact O-N 2.75Å; S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 3.21Å; S70-V72 PolarHBondContact OG-N 2.99Å; S70-A73 PolarHBondContact O-N 3.07Å; S70-A73 PolarHBondContact OG-N 2.89Å; S70-A73 VanDerWaalsContact OG-N 3.12Å; S70-R74 PolarHBondContact O-N 3.46Å; S70-R74 VanDerWaalsContact O-N 3.14Å
71W98.4Very high97.3Very high165 Ų16581.5 Ų81.563%0.62540%0.403SS*.Hα-helixtrans-59.1-40.8169.517382.6000111.3A73 R74 W75W71-A73 VanDerWaalsContact C-N 3.31Å; W71-A73 PolarHBondContact O-N 3.46Å; W71-R74 PolarHBondContact O-N 3.11Å; W71-W75 HydrophobicContact CZ2-CD2 4.38Å; W71-W75 HydrophobicContact CZ2-CE3 4.23Å; W71-W75 WeakPolarHBondContact O-CB 3.34Å; W71-W75 PolarHBondContact O-N 3.39Å
72V98Very high97.3Very high52 Ų5278.9 Ų78.932%0.31539%0.391SS..Hα-helixtrans-64.2-38.6178.9-172.80000110.9L62 M64 S70 W75 Q76L62-V72 HydrophobicContact CD1-CB 4.35Å; L62-V72 HydrophobicContact CD1-CG1 3.35Å; L62-V72 HydrophobicContact CD2-CG1 4.26Å; L62-V72 HydrophobicContact CG-CG1 4.44Å; M64-V72 HydrophobicContact CE-CB 4.4Å; S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 3.21Å; S70-V72 PolarHBondContact OG-N 2.99Å; V72-W75 PolarHBondContact O-N 2.87Å; V72-Q76 HydrophobicContact CG1-CG 4.36Å; V72-Q76 WeakPolarHBondContact O-CB 3.27Å; V72-Q76 WeakPolarHBondContact O-CG 3.46Å; V72-Q76 PolarHBondContact O-N 3.26Å
73A98.1Very high97.3Very high0 Ų080.8 Ų80.80%041%0.405CS..Hα-helixtrans-62.6-46.3176.300000112M64 P67 S70 W71 W75 Q76 M77 I78 D79M64-A73 HydrophobicContact CE-CB 3.57Å; M64-A73 HydrophobicContact SD-CB 3.79Å; P67-A73 HydrophobicContact CB-CB 4.45Å; P67-A73 VanDerWaalsContact O-CB 3.23Å; P67-A73 WeakPolarHBondContact O-CB 3.4Å; S70-A73 PolarHBondContact O-N 3.07Å; S70-A73 PolarHBondContact OG-N 2.89Å; S70-A73 VanDerWaalsContact OG-N 3.12Å; W71-A73 VanDerWaalsContact C-N 3.31Å; W71-A73 PolarHBondContact O-N 3.46Å; A73-W75 VanDerWaalsContact C-N 3.35Å; A73-W75 PolarHBondContact O-N 3.12Å; A73-Q76 CarbonylContact O-C 3.45Å; A73-Q76 PolarHBondContact O-N 2.98Å; A73-M77 PolarHBondContact O-N 2.98Å; A73-I78 HydrophobicContact CB-CG1 3.95Å; A73-I78 PolarHBondContact O-N 3.42Å; A73-D79 HydrophobicContact CB-CB 4.08Å; A73-D79 PolarHBondContact O-N 2.81Å
74R97.5Very high97.3Very high159 Ų15977.9 Ų77.960%0.638%0.382SS*.Hα-helixtrans-61.5-42.7176-68.7-174.5-65.1179.1-0.9111.7S70 W71 Q76 M77 D79S70-R74 PolarHBondContact O-N 3.46Å; S70-R74 VanDerWaalsContact O-N 3.14Å; W71-R74 PolarHBondContact O-N 3.11Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 2.88Å; R74-M77 PolarHBondContact O-N 3.38Å; R74-M77 VanDerWaalsContact O-N 3.13Å; R74-D79 HydrophobicContact CG-CB 3.78Å
75W96Very high97.3Very high178 Ų17878.5 Ų78.567%0.67439%0.386SS*.Hα-helixtrans-61.3-40176.6-177.6-98.3000112.2W71 V72 A73 M77W71-W75 HydrophobicContact CZ2-CD2 4.38Å; W71-W75 HydrophobicContact CZ2-CE3 4.23Å; W71-W75 WeakPolarHBondContact O-CB 3.34Å; W71-W75 PolarHBondContact O-N 3.39Å; V72-W75 PolarHBondContact O-N 2.87Å; A73-W75 VanDerWaalsContact C-N 3.35Å; A73-W75 PolarHBondContact O-N 3.12Å; W75-M77 VanDerWaalsContact C-N 3.29Å
76Q96.2Very high97.4Very high26 Ų2671.4 Ų71.412%0.12135%0.351CS..Hα-helixtrans-82.2-3.4177.2-66-63.1-7.100113.9L62 V72 A73 R74 I78L62-Q76 HydrophobicContact CD2-CG 4.49Å; V72-Q76 HydrophobicContact CG1-CG 4.36Å; V72-Q76 WeakPolarHBondContact O-CB 3.27Å; V72-Q76 WeakPolarHBondContact O-CG 3.46Å; V72-Q76 PolarHBondContact O-N 3.26Å; A73-Q76 CarbonylContact O-C 3.45Å; A73-Q76 PolarHBondContact O-N 2.98Å; R74-Q76 VanDerWaalsContact C-N 3.3Å; R74-Q76 PolarHBondContact O-N 2.88Å; Q76-I78 VanDerWaalsContact C-N 3.26Å; Q76-I78 HydrophobicContact CB-CD1 4.26Å; Q76-I78 HydrophobicContact CB-CG1 4.08Å; Q76-I78 HydrophobicContact CB-CG2 4.3Å; Q76-I78 PolarHBondContact O-N 2.84Å
77M95.8Very high97.4Very high89 Ų8968.3 Ų68.344%0.43833%0.33SS..THydrogen-bonded Turntrans56.536.1-173.2-54.6172.2-69.500113.4A73 R74 W75 R110A73-M77 PolarHBondContact O-N 2.98Å; R74-M77 PolarHBondContact O-N 3.38Å; R74-M77 VanDerWaalsContact O-N 3.13Å; W75-M77 VanDerWaalsContact C-N 3.29Å; M77-R110 VanDerWaalsContact CE-NH1 3.28Å; M77-R110 PolarHBondContact SD-NH1 2.75Å
78I97.2Very high97.4Very high10 Ų1071.6 Ų71.65%0.05135%0.346CS..  trans-11410.1176.368.4176.4000112.1L62 M64 A73 Q76 K80 L81 Y86L62-I78 HydrophobicContact CD2-CD1 3.42Å; L62-I78 VanDerWaalsContact CD2-CD1 3.42Å; M64-I78 HydrophobicContact CB-CD1 4.27Å; M64-I78 HydrophobicContact CE-CD1 4.1Å; M64-I78 HydrophobicContact CG-CD1 4.25Å; A73-I78 HydrophobicContact CB-CG1 3.95Å; A73-I78 PolarHBondContact O-N 3.42Å; Q76-I78 VanDerWaalsContact C-N 3.26Å; Q76-I78 HydrophobicContact CB-CD1 4.26Å; Q76-I78 HydrophobicContact CB-CG1 4.08Å; Q76-I78 HydrophobicContact CB-CG2 4.3Å; Q76-I78 PolarHBondContact O-N 2.84Å; I78-K80 PolarHBondContact O-N 3.15Å; I78-K80 VanDerWaalsContact O-N 3.08Å; I78-L81 HydrophobicContact CB-CB 4.4Å; I78-L81 HydrophobicContact CB-CD1 3.81Å; I78-L81 HydrophobicContact CB-CG 4.18Å; I78-L81 HydrophobicContact CG2-CD1 3.79Å; I78-L81 WeakPolarHBondContact O-CB 3.35Å; I78-L81 PolarHBondContact O-N 3.03Å; I78-Y86 HydrophobicContact CB-CE1 4.44Å; I78-Y86 HydrophobicContact CD1-CD1 4.1Å; I78-Y86 HydrophobicContact CD1-CD2 3.76Å; I78-Y86 HydrophobicContact CD1-CE2 4.25Å; I78-Y86 HydrophobicContact CD1-CG 3.69Å; I78-Y86 HydrophobicContact CG2-CD1 4.03Å; I78-Y86 HydrophobicContact CG2-CE1 4.25Å
79D97.7Very high97.4Very high47 Ų4765 Ų6525%0.25131%0.311SS..THydrogen-bonded Turntrans-60.4-18.7-176.354-66.4000114.1P67 N68 A73 R74P67-D79 CarbonylContact C-O 3.54Å; P67-D79 WeakPolarHBondContact CB-O 3.28Å; P67-D79 WeakPolarHBondContact O-CA 3.29Å; N68-D79 PolarHBondContact N-O 2.84Å; N68-D79 PolarHBondContact OD1-O 2.7Å; A73-D79 HydrophobicContact CB-CB 4.08Å; A73-D79 PolarHBondContact O-N 2.81Å; R74-D79 HydrophobicContact CG-CB 3.78Å
80K96.9Very high97.5Very high181 Ų18158 Ų5879%0.78727%0.274SS*.THydrogen-bonded Turntrans-105.43.5177.1-58.9-177.5-177.9178.50114.2I78I78-K80 PolarHBondContact O-N 3.15Å; I78-K80 VanDerWaalsContact O-N 3.08Å
81L96.6Very high97.4Very high49 Ų4960.2 Ų60.226%0.25728%0.279SS..SBendtrans-94171.3-175.3-57-172.1000111.6C20 N36 P67 I78 Y86C20-L81 HydrophobicContact CB-CD1 3.78Å; N36-L81 HydrophobicContact CB-CD2 4.26Å; P67-L81 VanDerWaalsContact CG-O 3.26Å; P67-L81 WeakPolarHBondContact CG-O 3.3Å; I78-L81 HydrophobicContact CB-CB 4.4Å; I78-L81 HydrophobicContact CB-CD1 3.81Å; I78-L81 HydrophobicContact CB-CG 4.18Å; I78-L81 HydrophobicContact CG2-CD1 3.79Å; I78-L81 WeakPolarHBondContact O-CB 3.35Å; I78-L81 PolarHBondContact O-N 3.03Å; L81-Y86 HydrophobicContact CB-CE1 4.38Å; L81-Y86 VanDerWaalsContact CB-OH 3.27Å; L81-Y86 WeakPolarHBondContact CB-OH 3.07Å; L81-Y86 HydrophobicContact CD1-CE1 3.76Å
82T96.7Very high97.3Very high38 Ų3854.5 Ų54.523%0.23327%0.271CS..PPolyproline II helixtrans-67.5141.9-179.9-53.20000110.9N36 G84 Y86N36-T82 WeakPolarHBondContact OD1-CB 3.49Å; N36-T82 PolarHBondContact OD1-N 3.11Å; N36-T82 PolarHBondContact OD1-OG1 3.4Å; T82-G84 PolarHBondContact O-N 3Å; T82-Y86 WeakPolarHBondContact O-CE2 3.17Å; T82-Y86 PolarHBondContact O-OH 3.08Å
83P97.4Very high97.3Very high69 Ų6956 Ų5645%0.44828%0.284SS..SBendtrans-51.1135.5166.7-26.534.8000111.6V6 M64 P67V6-P83 WeakPolarHBondContact CG1-O 3.43Å; M64-P83 CarbonylContact O-C 3.57Å; M64-P83 VanDerWaalsContact O-CA 3.28Å; M64-P83 WeakPolarHBondContact O-CA 3.26Å; P67-P83 HydrophobicContact CG-CG 4.21Å
84G97.5Very high97.3Very high9 Ų956.4 Ų56.49%0.09329%0.286CS..EExtended strand (participates in β ladder)trans171.2-175.1-171.700000112.9M64 T82M64-G84 PolarHBondContact N-O 2.6Å; M64-G84 PolarHBondContact O-N 3.41Å; T82-G84 PolarHBondContact O-N 3Å
85V98.3Very high97.3Very high23 Ų2350.7 Ų50.714%0.13927%0.27CS..EExtended strand (participates in β ladder)trans-96.3128.9175-176.50000109P8 L22 V23 L61 L62P8-V85 HydrophobicContact CG-CB 4.17Å; P8-V85 HydrophobicContact CG-CG2 4.27Å; L22-V85 WeakPolarHBondContact CD1-O 3.38Å; V23-V85 HydrophobicContact CB-CG1 4.25Å; V23-V85 PolarHBondContact N-O 3.34Å; L61-V85 HydrophobicContact CB-CG1 4.29Å; L61-V85 HydrophobicContact CD2-CG1 3.79Å; L62-V85 CarbonylContact O-C 3.35Å; L62-V85 WeakPolarHBondContact O-CA 3.44Å
86Y98.5Very high97.3Very high3 Ų346.3 Ų46.31%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-122.7153.8-179.5-68-97.9000111.1C20 G21 L22 N36 L61 L62 M64 I78 L81 T82C20-Y86 WeakPolarHBondContact O-CD1 3.39Å; G21-Y86 CarbonylContact O-C 3.49Å; G21-Y86 VanDerWaalsContact O-CA 3.3Å; G21-Y86 WeakPolarHBondContact O-CA 3.27Å; L22-Y86 HydrophobicContact CB-CD1 4.31Å; L22-Y86 HydrophobicContact CB-CE1 3.97Å; L22-Y86 HydrophobicContact CD1-CE1 4.1Å; L22-Y86 HydrophobicContact CD1-CE2 4.02Å; N36-Y86 PolarHBondContact ND2-OH 3.48Å; L61-Y86 CarbonylContact C-O 3.41Å; L61-Y86 WeakPolarHBondContact CA-O 3.49Å; L62-Y86 WeakPolarHBondContact CB-O 3.28Å; L62-Y86 PolarHBondContact N-O 3.35Å; L62-Y86 PolarHBondContact O-N 3.16Å; M64-Y86 HydrophobicContact CB-CD2 3.94Å; M64-Y86 HydrophobicContact CB-CE2 4.14Å; I78-Y86 HydrophobicContact CB-CE1 4.44Å; I78-Y86 HydrophobicContact CD1-CD1 4.1Å; I78-Y86 HydrophobicContact CD1-CD2 3.76Å; I78-Y86 HydrophobicContact CD1-CE2 4.25Å; I78-Y86 HydrophobicContact CD1-CG 3.69Å; I78-Y86 HydrophobicContact CG2-CD1 4.03Å; I78-Y86 HydrophobicContact CG2-CE1 4.25Å; L81-Y86 HydrophobicContact CB-CE1 4.38Å; L81-Y86 VanDerWaalsContact CB-OH 3.27Å; L81-Y86 WeakPolarHBondContact CB-OH 3.07Å; L81-Y86 HydrophobicContact CD1-CE1 3.76Å; T82-Y86 WeakPolarHBondContact O-CE2 3.17Å; T82-Y86 PolarHBondContact O-OH 3.08Å
87A98.5Very high97.4Very high9 Ų949.6 Ų49.67%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-82.6149.817000000111.1A16 G21 V23 F58 G60 V90A16-A87 HydrophobicContact CB-CB 3.93Å; G21-A87 PolarHBondContact O-N 3.21Å; V23-A87 HydrophobicContact CG2-CB 3.86Å; F58-A87 HydrophobicContact CB-CB 3.84Å; F58-A87 HydrophobicContact CD2-CB 3.74Å; F58-A87 HydrophobicContact CG-CB 4.02Å; G60-A87 WeakPolarHBondContact O-CA 3.4Å; A87-V90 HydrophobicContact CB-CG2 3.65Å
88I97.6Very high97.4Very high76 Ų7645.7 Ų45.739%0.3927%0.266SS..EExtended strand (participates in β ladder)trans-77.2-39.2174.5-63.9-179.7000110.6D59 K114D59-I88 WeakPolarHBondContact O-CA 3.5Å; D59-I88 WeakPolarHBondContact O-CB 3.43Å; D59-I88 PolarHBondContact O-N 3.19Å; I88-K114 WeakPolarHBondContact O-CG 3.25Å
89S97.6Very high97.5Very high7 Ų746.6 Ų46.65%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-137.3140.7174.2-174.50000109.1F58 D59 L112 K114F58-S89 CarbonylContact C-O 3.47Å; F58-S89 VanDerWaalsContact CA-O 3.24Å; F58-S89 WeakPolarHBondContact CA-O 3.41Å; F58-S89 VanDerWaalsContact CB-O 3.25Å; F58-S89 WeakPolarHBondContact CB-O 3.49Å; D59-S89 PolarHBondContact N-O 2.92Å; D59-S89 PolarHBondContact O-N 2.79Å; D59-S89 VanDerWaalsContact O-N 3.15Å; S89-L112 WeakPolarHBondContact CA-O 3.39Å; S89-K114 PolarHBondContact OG-N 3.29Å
90V98.3Very high97.5Very high2 Ų250 Ų501%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-124.2122.8175.5-171.90000109.5A16 L18 F58 A87 L112 D113A16-V90 HydrophobicContact CB-CB 4.36Å; A16-V90 HydrophobicContact CB-CG1 3.82Å; A16-V90 HydrophobicContact CB-CG2 3.59Å; L18-V90 HydrophobicContact CD2-CG1 3.86Å; F58-V90 HydrophobicContact CB-CG1 4.48Å; F58-V90 HydrophobicContact CB-CG2 4.36Å; A87-V90 HydrophobicContact CB-CG2 3.65Å; V90-L112 HydrophobicContact CB-CB 3.93Å; V90-L112 HydrophobicContact CG2-CB 4.12Å; V90-L112 HydrophobicContact CG2-CD1 4.16Å; V90-L112 PolarHBondContact N-O 3.14Å; V90-L112 VanDerWaalsContact N-O 3.16Å; V90-L112 CarbonylContact O-C 3.53Å; V90-D113 WeakPolarHBondContact O-CA 3.34Å; V90-D113 PolarHBondContact O-N 3.36Å
91Y97.5Very high97.5Very high72 Ų7245.8 Ų45.828%0.28227%0.265SS..  trans-88141.8178.1-59.6-79.1000111.3S55 N57 D59S55-Y91 WeakPolarHBondContact CB-O 3.16Å; S55-Y91 PolarHBondContact OG-O 2.76Å; N57-Y91 HydrophobicContact CB-CD2 4.24Å; N57-Y91 WeakPolarHBondContact O-CB 3.46Å; N57-Y91 WeakPolarHBondContact O-CD2 3.25Å; N57-Y91 PolarHBondContact O-N 3.14Å; D59-Y91 WeakPolarHBondContact OD2-CE2 3.3Å; D59-Y91 PolarHBondContact OD2-OH 3.36Å
92G96.6Very high97.5Very high45 Ų4543.5 Ų43.546%0.46425%0.253SS..SBendtrans109.8179.3-177.400000112.2
93S97Very high97.6Very high84 Ų8450 Ų5059%0.58727%0.274SS*.  trans-146.3144.2-177.555.40000111.2Y109S93-Y109 VanDerWaalsContact CA-OH 3.28Å; S93-Y109 WeakPolarHBondContact CA-OH 3.43Å
94L97.8Very high97.6Very high8 Ų851 Ų514%0.04228%0.282CS..  trans-58.7142.3170.3-71.7177.7000111.1L18 L19 L41 C53 I98 V99 L102 Y109L18-L94 HydrophobicContact CB-CD2 3.71Å; L18-L94 HydrophobicContact CB-CG 3.87Å; L18-L94 HydrophobicContact CD1-CD2 4.19Å; L19-L94 HydrophobicContact CB-CD1 4.26Å; L41-L94 HydrophobicContact CD2-CD1 4.31Å; L41-L94 HydrophobicContact CD2-CD2 4.47Å; C53-L94 HydrophobicContact CB-CD2 4.19Å; L94-I98 HydrophobicContact CD1-CG2 4.18Å; L94-I98 HydrophobicContact CD2-CG2 4.5Å; L94-V99 HydrophobicContact CB-CG2 3.79Å; L94-L102 HydrophobicContact CD1-CD1 3.72Å; L94-Y109 HydrophobicContact CB-CE1 4.49Å; L94-Y109 HydrophobicContact CB-CE2 4.17Å; L94-Y109 HydrophobicContact CD1-CD2 3.7Å; L94-Y109 HydrophobicContact CD1-CE2 3.68Å; L94-Y109 HydrophobicContact CD1-CG 4.42Å; L94-Y109 HydrophobicContact CG-CD2 4.34Å; L94-Y109 HydrophobicContact CG-CE2 3.82Å; L94-Y109 PolarHBondContact N-OH 3.28Å; L94-Y109 VanDerWaalsContact N-OH 3.11Å
95P97.3Very high97.5Very high40 Ų4056.3 Ų56.326%0.2630%0.302SS..  trans-49.9145.6168-29.135.1000112.9E52 D97 I98 V99E52-P95 HydrophobicContact CB-CG 4.24Å; P95-D97 VanDerWaalsContact C-N 3.32Å; P95-D97 WeakPolarHBondContact CB-OD1 3.34Å; P95-D97 PolarHBondContact O-N 2.88Å; P95-I98 HydrophobicContact CB-CD1 4.26Å; P95-I98 HydrophobicContact CB-CG1 4.17Å; P95-I98 HydrophobicContact CG-CD1 4.02Å; P95-I98 HydrophobicContact CG-CG1 4.48Å; P95-I98 PolarHBondContact O-N 2.94Å; P95-I98 VanDerWaalsContact O-N 3.13Å; P95-V99 WeakPolarHBondContact O-CG2 3.25Å; P95-V99 PolarHBondContact O-N 3.21Å
96S97.1Very high97.4Very high86 Ų8658.6 Ų58.660%0.60133%0.331SS*.Hα-helixtrans-62.2-37.6-172.851.50000112.9I98 V99 H100S96-I98 PolarHBondContact O-N 2.85Å; S96-V99 PolarHBondContact O-N 2.84Å; S96-H100 WeakPolarHBondContact O-CB 3.24Å; S96-H100 PolarHBondContact O-CD2 2.92Å; S96-H100 PolarHBondContact O-N 3.42Å
97D97Very high97.3Very high94 Ų9460.4 Ų60.450%0.50334%0.34SS..Hα-helixtrans-59.2-43.2174.362-55.7000111.9P95 H100 Y101P95-D97 VanDerWaalsContact C-N 3.32Å; P95-D97 WeakPolarHBondContact CB-OD1 3.34Å; P95-D97 PolarHBondContact O-N 2.88Å; D97-H100 PolarHBondContact O-N 3.36Å; D97-Y101 WeakPolarHBondContact O-CB 3.46Å; D97-Y101 PolarHBondContact O-N 3.28Å
98I97.2Very high97Very high8 Ų865.2 Ų65.24%0.04137%0.374CS..Hα-helixtrans-65.7-43.3175.5-56.6-175000110.3L41 K49 C53 L94 P95 S96 H100 Y101 L102L41-I98 HydrophobicContact CD2-CG2 3.74Å; K49-I98 VanDerWaalsContact NZ-CD1 3.35Å; C53-I98 WeakPolarHBondContact SG-CD1 3.46Å; L94-I98 HydrophobicContact CD1-CG2 4.18Å; L94-I98 HydrophobicContact CD2-CG2 4.5Å; P95-I98 HydrophobicContact CB-CD1 4.26Å; P95-I98 HydrophobicContact CB-CG1 4.17Å; P95-I98 HydrophobicContact CG-CD1 4.02Å; P95-I98 HydrophobicContact CG-CG1 4.48Å; P95-I98 PolarHBondContact O-N 2.94Å; P95-I98 VanDerWaalsContact O-N 3.13Å; S96-I98 PolarHBondContact O-N 2.85Å; I98-H100 VanDerWaalsContact C-N 3.33Å; I98-H100 PolarHBondContact O-N 3.09Å; I98-Y101 WeakPolarHBondContact O-CB 3.48Å; I98-Y101 PolarHBondContact O-N 3.44Å; I98-L102 HydrophobicContact CG2-CD1 4.27Å; I98-L102 HydrophobicContact CG2-CG 4.42Å; I98-L102 VanDerWaalsContact O-CG 3.31Å; I98-L102 WeakPolarHBondContact O-CG 3.48Å; I98-L102 PolarHBondContact O-N 2.9Å
99V97.9Very high96.9Very high28 Ų2864.3 Ų64.317%0.1737%0.366CS..Hα-helixtrans-61.7-41.3176.7176.20000111.5L94 P95 S96 L102 R103 Y109L94-V99 HydrophobicContact CB-CG2 3.79Å; P95-V99 WeakPolarHBondContact O-CG2 3.25Å; P95-V99 PolarHBondContact O-N 3.21Å; S96-V99 PolarHBondContact O-N 2.84Å; V99-L102 PolarHBondContact O-N 3.44Å; V99-R103 PolarHBondContact O-N 3.24Å; V99-Y109 HydrophobicContact CB-CD1 4.39Å; V99-Y109 HydrophobicContact CG1-CD1 3.96Å; V99-Y109 HydrophobicContact CG1-CG 4.48Å; V99-Y109 HydrophobicContact CG2-CD1 3.49Å; V99-Y109 VanDerWaalsContact CG2-CD1 3.49Å; V99-Y109 HydrophobicContact CG2-CE1 3.81Å; V99-Y109 HydrophobicContact CG2-CG 4.05Å
100H97.3Very high96.8Very high120 Ų12069.9 Ų69.956%0.55639%0.386SS*.Hα-helixtrans-63.9-43.4175.1-77.4-62.6000111.8S96 D97 I98 R103 S104S96-H100 WeakPolarHBondContact O-CB 3.24Å; S96-H100 PolarHBondContact O-CD2 2.92Å; S96-H100 PolarHBondContact O-N 3.42Å; D97-H100 PolarHBondContact O-N 3.36Å; I98-H100 VanDerWaalsContact C-N 3.33Å; I98-H100 PolarHBondContact O-N 3.09Å; H100-R103 PolarHBondContact O-N 2.94Å; H100-S104 PolarHBondContact O-N 3.13Å
101Y97.4Very high96.6Very high92 Ų9272.3 Ų72.336%0.36140%0.403SS..Hα-helixtrans-59.8-48.7174.6171.9-105.6000112.1F40 D97 I98 R103 S104 K105F40-Y101 HydrophobicContact CB-CE1 4.41Å; F40-Y101 WeakPolarHBondContact O-CE1 3.11Å; D97-Y101 WeakPolarHBondContact O-CB 3.46Å; D97-Y101 PolarHBondContact O-N 3.28Å; I98-Y101 WeakPolarHBondContact O-CB 3.48Å; I98-Y101 PolarHBondContact O-N 3.44Å; Y101-R103 VanDerWaalsContact C-N 3.31Å; Y101-R103 PolarHBondContact O-N 3.27Å; Y101-S104 WeakPolarHBondContact O-CB 3.31Å; Y101-S104 PolarHBondContact O-N 2.94Å; Y101-S104 VanDerWaalsContact O-N 3.08Å; Y101-S104 PolarHBondContact O-OG 2.91Å; Y101-K105 HydrophobicContact CE1-CG 4.45Å; Y101-K105 HydrophobicContact CE2-CG 4.17Å; Y101-K105 PolarHBondContact O-N 2.89Å
102L97.8Very high96.6Very high0 Ų070.1 Ų70.10%040%0.396CS..Hα-helixtrans-56.8-45176.7-70.7173.2000111.7L19 F40 L94 I98 V99 S104 K105 G106 I107L19-L102 HydrophobicContact CD1-CD1 4.04Å; L19-L102 HydrophobicContact CD2-CD1 4.08Å; L19-L102 HydrophobicContact CD2-CD2 4.06Å; F40-L102 HydrophobicContact CB-CD2 3.62Å; F40-L102 HydrophobicContact CG-CD2 4.24Å; L94-L102 HydrophobicContact CD1-CD1 3.72Å; I98-L102 HydrophobicContact CG2-CD1 4.27Å; I98-L102 HydrophobicContact CG2-CG 4.42Å; I98-L102 VanDerWaalsContact O-CG 3.31Å; I98-L102 WeakPolarHBondContact O-CG 3.48Å; I98-L102 PolarHBondContact O-N 2.9Å; V99-L102 PolarHBondContact O-N 3.44Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 3.24Å; L102-K105 CarbonylContact O-C 3.51Å; L102-K105 WeakPolarHBondContact O-CA 3.37Å; L102-K105 PolarHBondContact O-N 3.15Å; L102-G106 PolarHBondContact O-N 2.87Å; L102-I107 CarbonylContact C-O 3.54Å; L102-I107 HydrophobicContact CB-CB 4.22Å; L102-I107 HydrophobicContact CB-CG2 4.48Å; L102-I107 HydrophobicContact CD2-CB 4.32Å; L102-I107 HydrophobicContact CD2-CD1 4.08Å; L102-I107 HydrophobicContact CD2-CG2 4.18Å; L102-I107 WeakPolarHBondContact O-CB 3.23Å; L102-I107 PolarHBondContact O-N 3.47Å
103R97.2Very high96.6Very high175 Ų17570.7 Ų70.766%0.6639%0.389SS*.Hα-helixtrans-60.8-40.4176.6-171.1-177.4-65.6-178.8-0.1111.9V99 H100 Y101 K105 G106V99-R103 PolarHBondContact O-N 3.24Å; H100-R103 PolarHBondContact O-N 2.94Å; Y101-R103 VanDerWaalsContact C-N 3.31Å; Y101-R103 PolarHBondContact O-N 3.27Å; R103-K105 PolarHBondContact O-N 2.61Å; R103-G106 PolarHBondContact O-N 2.53Å
104S97.3Very high96.3Very high89 Ų8969 Ų6962%0.62237%0.37SS*.Hα-helixtrans-63.1-22176.581.80000113.5H100 Y101 L102H100-S104 PolarHBondContact O-N 3.13Å; Y101-S104 WeakPolarHBondContact O-CB 3.31Å; Y101-S104 PolarHBondContact O-N 2.94Å; Y101-S104 VanDerWaalsContact O-N 3.08Å; Y101-S104 PolarHBondContact O-OG 2.91Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 3.24Å
105K96.4Very high95.6Very high121 Ų12172.2 Ų72.253%0.52639%0.394SS..THydrogen-bonded Turntrans-94.75.5175-61.8-62.1-176.8178.80113.6Y101 L102 R103 I107Y101-K105 HydrophobicContact CE1-CG 4.45Å; Y101-K105 HydrophobicContact CE2-CG 4.17Å; Y101-K105 PolarHBondContact O-N 2.89Å; L102-K105 CarbonylContact O-C 3.51Å; L102-K105 WeakPolarHBondContact O-CA 3.37Å; L102-K105 PolarHBondContact O-N 3.15Å; R103-K105 PolarHBondContact O-N 2.61Å; K105-I107 VanDerWaalsContact C-N 3.32Å; K105-I107 HydrophobicContact CB-CD1 4.17Å; K105-I107 HydrophobicContact CB-CG1 4.39Å
106G96.4Very high94.2Very high72 Ų7274 Ų7474%0.74242%0.42SS*.THydrogen-bonded Turntrans76.416.6-17800000114.3L102 R103L102-G106 PolarHBondContact O-N 2.87Å; R103-G106 PolarHBondContact O-N 2.53Å
107I95.4Very high92.1Very high40 Ų4080 Ų8021%0.20544%0.435CS..PPolyproline II helixtrans-98.2122.4-179.3-59.1167.9000109F40 L102 K105F40-I107 HydrophobicContact CB-CD1 4.37Å; F40-I107 HydrophobicContact CD1-CD1 3.29Å; F40-I107 HydrophobicContact CD2-CD1 3.58Å; F40-I107 HydrophobicContact CE1-CD1 3.3Å; F40-I107 HydrophobicContact CE2-CD1 3.57Å; F40-I107 HydrophobicContact CG-CD1 3.44Å; F40-I107 VanDerWaalsContact CG-CD1 3.44Å; F40-I107 HydrophobicContact CZ-CD1 3.43Å; F40-I107 VanDerWaalsContact CZ-CD1 3.43Å; L102-I107 CarbonylContact C-O 3.54Å; L102-I107 HydrophobicContact CB-CB 4.22Å; L102-I107 HydrophobicContact CB-CG2 4.48Å; L102-I107 HydrophobicContact CD2-CB 4.32Å; L102-I107 HydrophobicContact CD2-CD1 4.08Å; L102-I107 HydrophobicContact CD2-CG2 4.18Å; L102-I107 WeakPolarHBondContact O-CB 3.23Å; L102-I107 PolarHBondContact O-N 3.47Å; K105-I107 VanDerWaalsContact C-N 3.32Å; K105-I107 HydrophobicContact CB-CD1 4.17Å; K105-I107 HydrophobicContact CB-CG1 4.39Å
108S93.2Very high91.9Very high111 Ų11179.3 Ų79.378%0.77643%0.431SS*.PPolyproline II helixtrans-79.7127.4174.9550000110.5
109Y96.1Very high91.6Very high57 Ų5783.1 Ų83.122%0.22445%0.452CS..PPolyproline II helixtrans-98.3133.2169.5171.8-112.2000109.8L19 S93 L94 V99L19-Y109 HydrophobicContact CD1-CD2 3.91Å; S93-Y109 VanDerWaalsContact CA-OH 3.28Å; S93-Y109 WeakPolarHBondContact CA-OH 3.43Å; L94-Y109 HydrophobicContact CB-CE1 4.49Å; L94-Y109 HydrophobicContact CB-CE2 4.17Å; L94-Y109 HydrophobicContact CD1-CD2 3.7Å; L94-Y109 HydrophobicContact CD1-CE2 3.68Å; L94-Y109 HydrophobicContact CD1-CG 4.42Å; L94-Y109 HydrophobicContact CG-CD2 4.34Å; L94-Y109 HydrophobicContact CG-CE2 3.82Å; L94-Y109 PolarHBondContact N-OH 3.28Å; L94-Y109 VanDerWaalsContact N-OH 3.11Å; V99-Y109 HydrophobicContact CB-CD1 4.39Å; V99-Y109 HydrophobicContact CG1-CD1 3.96Å; V99-Y109 HydrophobicContact CG1-CG 4.48Å; V99-Y109 HydrophobicContact CG2-CD1 3.49Å; V99-Y109 VanDerWaalsContact CG2-CD1 3.49Å; V99-Y109 HydrophobicContact CG2-CE1 3.81Å; V99-Y109 HydrophobicContact CG2-CG 4.05Å
110R94.2Very high91.3Very high123 Ų12386.1 Ų86.146%0.46447%0.468SS..  trans-136.1136.6175.2-179.4-171.1170.9164.97.4108.4M77 L112M77-R110 VanDerWaalsContact CE-NH1 3.28Å; M77-R110 PolarHBondContact SD-NH1 2.75Å; R110-L112 PolarHBondContact O-N 3.44Å
111S95.2Very high90.9Very high54 Ų5484.1 Ų84.138%0.37846%0.462SS..  trans-56.6134.2172.5-176.20000111.3D113S111-D113 VanDerWaalsContact C-N 3.33Å; S111-D113 WeakPolarHBondContact OG-CB 3.46Å; S111-D113 PolarHBondContact OG-N 2.92Å
112L96.8Very high90.5Very high26 Ų2683.6 Ų83.614%0.13647%0.469CS..  trans-91.11.2174.7-63-179.5000112.4S89 V90 R110 K114S89-L112 WeakPolarHBondContact CA-O 3.39Å; V90-L112 HydrophobicContact CB-CB 3.93Å; V90-L112 HydrophobicContact CG2-CB 4.12Å; V90-L112 HydrophobicContact CG2-CD1 4.16Å; V90-L112 PolarHBondContact N-O 3.14Å; V90-L112 VanDerWaalsContact N-O 3.16Å; V90-L112 CarbonylContact O-C 3.53Å; R110-L112 PolarHBondContact O-N 3.44Å; L112-K114 PolarHBondContact O-N 3.41Å
113D96.1Very high90Very high57 Ų5789.2 Ų89.231%0.30550%0.5SS..  trans-68.4119.8172.5-170.2-12.4000110.2V90 S111 S115V90-D113 WeakPolarHBondContact O-CA 3.34Å; V90-D113 PolarHBondContact O-N 3.36Å; S111-D113 VanDerWaalsContact C-N 3.33Å; S111-D113 WeakPolarHBondContact OG-CB 3.46Å; S111-D113 PolarHBondContact OG-N 2.92Å; D113-S115 VanDerWaalsContact CG-OG 3.32Å; D113-S115 VanDerWaalsContact OD1-CB 3.25Å; D113-S115 WeakPolarHBondContact OD1-CB 3.48Å; D113-S115 PolarHBondContact OD1-N 3.12Å; D113-S115 PolarHBondContact OD1-OG 3.3Å; D113-S115 PolarHBondContact OD2-OG 3.43Å
114K91.3Very high89.5Confident47 Ų4783.1 Ų83.120%0.20449%0.489CS..  trans-103.2-0.7178.8-51.7-59.5-178.2178.90113.2I88 S89 L112 G116 K117I88-K114 WeakPolarHBondContact O-CG 3.25Å; S89-K114 PolarHBondContact OG-N 3.29Å; L112-K114 PolarHBondContact O-N 3.41Å; K114-G116 PolarHBondContact O-N 3.42Å; K114-K117 PolarHBondContact O-N 3.26Å
115S82.4Confident88.9Confident76 Ų7682.6 Ų82.653%0.53148%0.478SS..THydrogen-bonded Turntrans-65.2-22.9-176.963.10000113.8D113D113-S115 VanDerWaalsContact CG-OG 3.32Å; D113-S115 VanDerWaalsContact OD1-CB 3.25Å; D113-S115 WeakPolarHBondContact OD1-CB 3.48Å; D113-S115 PolarHBondContact OD1-N 3.12Å; D113-S115 PolarHBondContact OD1-OG 3.3Å; D113-S115 PolarHBondContact OD2-OG 3.43Å
116G68.7Low88.3Confident78 Ų7879.4 Ų79.480%0.80447%0.474SS*.THydrogen-bonded Turntrans-90.716177.900000115.5K114K114-G116 PolarHBondContact O-N 3.42Å
117K53.8Low87.5Confident212 Ų21280.1 Ų80.192%0.92245%0.45SS*.  trans-124.30175.2-74.4-170.6168.8-157.60110.7K114K114-K117 PolarHBondContact O-N 3.26Å

Retrieved 117 of 117 residues in 183.9 ms (Link to these results)

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