A0A2K6B9T0_MACNE Loading...

THAP domain-containing protein 1

DNA-binding transcription regulator that regulates endothelial cell proliferation and G1/S cell-cycle progression. Specifically binds the 5'-[AT]NTNN[GT]GGCA[AGT]-3' core DNA sequence and acts by modulating expression of pRB-E2F cell-cycle target genes.

AlphaFold DB , UniProt , Accession A0A2K6B9T0, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene THAP1, Length 212 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
1M59.1Low79.7Confident228 Ų22883.1 Ų83.1100%1.12345%0.445SS*.  0127.10-165.9178.6-155.200108
2V73.9Confident80.2Confident91 Ų9179.3 Ų79.355%0.55243%0.425SS*.  trans-83135.5-178.2-176.40000109.4R13 Y14V2-R13 HydrophobicContact CG1-CB 4.44Å; V2-Y14 WeakPolarHBondContact CG1-O 3.43Å
3Q82.2Confident80.5Confident73 Ų7386.8 Ų86.834%0.34144%0.444SS..  trans-68.7145.2175.7-57.4-177.8-74.800110.3R13 Y14 F22Q3-R13 WeakPolarHBondContact O-CA 3.36Å; Q3-Y14 PolarHBondContact O-N 3.4Å; Q3-F22 HydrophobicContact CB-CD1 4.34Å; Q3-F22 HydrophobicContact CB-CG 4.3Å
4S85.3Confident80.7Confident60 Ų6088.4 Ų88.442%0.4244%0.442SS..BIsolated β-bridgetrans-139.4152.6179.353.40000110.5S52S4-S52 PolarHBondContact O-OG 2.85Å
5C87.2Confident80.7Confident13 Ų1386.7 Ų86.79%0.08844%0.435CS..BIsolated β-bridgetrans-72.7131.4179.2-164.80000110.4A7 C10 N12 F22 S52 C54C5-A7 VanDerWaalsContact C-N 3.33Å; C5-A7 VanDerWaalsContact SG-CB 3.52Å; C5-A7 PolarHBondContact SG-N 3.49Å; C5-C10 HydrophobicContact CB-CB 3.96Å; C5-C10 WeakPolarHBondContact CB-SG 3.48Å; C5-C10 VanDerWaalsContact SG-SG 3.64Å; C5-N12 HydrophobicContact CB-CB 4.36Å; C5-N12 PolarHBondContact N-O 3.11Å; C5-F22 HydrophobicContact CB-CE1 4.35Å; C5-S52 CarbonylContact C-O 3.52Å; C5-S52 WeakPolarHBondContact CA-O 3.4Å; C5-C54 HydrophobicContact CB-CB 4.39Å; C5-C54 PolarHBondContact SG-N 3.34Å; C5-C54 VanDerWaalsContact SG-N 3.37Å
6S85.3Confident80.4Confident16 Ų1691.9 Ų91.911%0.11245%0.454CS..  trans-86.8-3.3175.7-57.40000112.7V40 R42 S52S6-V40 WeakPolarHBondContact O-CG1 3.37Å; S6-R42 PolarHBondContact O-NH1 3.24Å; S6-S52 WeakPolarHBondContact CB-O 3.4Å; S6-S52 PolarHBondContact N-O 3.3Å; S6-S52 PolarHBondContact OG-N 3.4Å; S6-S52 PolarHBondContact OG-O 2.92Å
7A83.9Confident80.3Confident0 Ų095.6 Ų95.60%048%0.476CS..SBendtrans-61.1156175.500000112.4C5 C10 R42 H57 F81C5-A7 VanDerWaalsContact C-N 3.33Å; C5-A7 VanDerWaalsContact SG-CB 3.52Å; C5-A7 PolarHBondContact SG-N 3.49Å; A7-C10 HydrophobicContact CB-CB 3.75Å; A7-R42 PolarHBondContact O-NH2 3.42Å; A7-H57 WeakPolarHBondContact CB-NE2 3.45Å; A7-F81 HydrophobicContact CB-CD1 4.24Å; A7-F81 HydrophobicContact CB-CE1 3.48Å; A7-F81 VanDerWaalsContact CB-CE1 3.48Å; A7-F81 HydrophobicContact CB-CZ 4.3Å
8Y79.8Confident80.3Confident152 Ų15296.7 Ų96.760%0.59648%0.478SS*.SBendtrans-69.3142.6169.5-169.8-95.6000110.1C10Y8-C10 PolarHBondContact O-N 2.98Å
9G75.8Confident80.2Confident63 Ų6398.6 Ų98.665%0.64950%0.498SS*.SBendtrans68.7-23.2-17800000116.8K11G9-K11 PolarHBondContact O-N 3.27Å
10C83.1Confident80.2Confident28 Ų2894.5 Ų94.519%0.18948%0.478CS..  trans-72.7124.2-174.2-168.60000112.7C5 A7 Y8 C54 H57C5-C10 HydrophobicContact CB-CB 3.96Å; C5-C10 WeakPolarHBondContact CB-SG 3.48Å; C5-C10 VanDerWaalsContact SG-SG 3.64Å; A7-C10 HydrophobicContact CB-CB 3.75Å; Y8-C10 PolarHBondContact O-N 2.98Å; C10-C54 VanDerWaalsContact SG-SG 3.69Å; C10-H57 PolarHBondContact SG-NE2 2.92Å; C10-H57 VanDerWaalsContact SG-NE2 3.44Å
11K81.4Confident80.3Confident190 Ų19092 Ų9283%0.82647%0.469SS*.  trans-100.26177.8-64.9-180-176.7174.40113.3G9 R13G9-K11 PolarHBondContact O-N 3.27Å; K11-R13 PolarHBondContact O-N 3.09Å
12N84.9Confident81.5Confident38 Ų3882.3 Ų82.320%0.20342%0.421CS..  trans-64.8125.3-175.2-66.83.8000111.4C5 F22 C54 E56C5-N12 HydrophobicContact CB-CB 4.36Å; C5-N12 PolarHBondContact N-O 3.11Å; N12-F22 HydrophobicContact CB-CZ 4.24Å; N12-C54 HydrophobicContact CB-CB 4.4Å; N12-E56 PolarHBondContact ND2-OE1 3.43Å; N12-E56 VanDerWaalsContact ND2-OE1 3.16Å; N12-E56 PolarHBondContact ND2-OE2 3.48Å
13R84.6Confident82Confident177 Ų17778.7 Ų78.767%0.66840%0.398SS*.BIsolated β-bridgetrans-114.3153.4173.1-66.5176.1179.3-108.8-0.2108.6V2 Q3 K11 D15 F22V2-R13 HydrophobicContact CG1-CB 4.44Å; Q3-R13 WeakPolarHBondContact O-CA 3.36Å; K11-R13 PolarHBondContact O-N 3.09Å; R13-D15 PolarHBondContact O-N 2.81Å; R13-F22 VanDerWaalsContact C-CZ 3.42Å
14Y82.8Confident82.1Confident108 Ų10881.4 Ų81.442%0.42441%0.409SS..  trans-63126.3175.1178.4-89.5000110.5V2 Q3 K16 F22V2-Y14 WeakPolarHBondContact CG1-O 3.43Å; Q3-Y14 PolarHBondContact O-N 3.4Å; Y14-K16 HydrophobicContact CE1-CG 4.37Å; Y14-F22 HydrophobicContact CD2-CD2 4.05Å; Y14-F22 HydrophobicContact CD2-CE2 4.33Å
15D81Confident81.9Confident63 Ų6379.1 Ų79.134%0.33739%0.391SS..  trans-144.3140.4-176-173.1-17.9000106.3R13 D17 K18R13-D15 PolarHBondContact O-N 2.81Å; D15-D17 VanDerWaalsContact C-N 3.34Å; D15-D17 PolarHBondContact OD1-N 2.91Å; D15-D17 VanDerWaalsContact OD1-N 3.08Å; D15-K18 HydrophobicContact CB-CB 4.12Å; D15-K18 HydrophobicContact CB-CD 3.87Å; D15-K18 HydrophobicContact CB-CG 3.91Å; D15-K18 VanDerWaalsContact OD2-CE 3.3Å; D15-K18 WeakPolarHBondContact OD2-CE 3.32Å
16K76.6Confident81.4Confident171 Ų17179.6 Ų79.674%0.74339%0.394SS*.SBendtrans-76.4-27.4-178.7-73.2178.4176.8-69.30111.9Y14Y14-K16 HydrophobicContact CE1-CG 4.37Å
17D78.1Confident80.8Confident154 Ų15483.1 Ų83.182%0.82441%0.411SS*.SBendtrans-91.5-6-174-57.5-37.6000112.2D15D15-D17 VanDerWaalsContact C-N 3.34Å; D15-D17 PolarHBondContact OD1-N 2.91Å; D15-D17 VanDerWaalsContact OD1-N 3.08Å
18K79.9Confident80.3Confident116 Ų11689.5 Ų89.550%0.50445%0.45SS..SBendtrans-96.2133.9174.7-66.1-177.3-174.4-64.70111.2D15 V20D15-K18 HydrophobicContact CB-CB 4.12Å; D15-K18 HydrophobicContact CB-CD 3.87Å; D15-K18 HydrophobicContact CB-CG 3.91Å; D15-K18 VanDerWaalsContact OD2-CE 3.3Å; D15-K18 WeakPolarHBondContact OD2-CE 3.32Å; K18-V20 HydrophobicContact CB-CB 4.46Å; K18-V20 HydrophobicContact CB-CG2 4.19Å; K18-V20 PolarHBondContact O-N 3.47Å
19P78.9Confident79.9Confident132 Ų13287.2 Ų87.286%0.85744%0.441SS*.  trans-77.745177.334.8-37.5000112.6
20V80.3Confident79.8Confident17 Ų1788.6 Ų88.610%0.10344%0.438CS..  trans-119.2114.1-171.7-178.90000110K18 F22 C54 E56K18-V20 HydrophobicContact CB-CB 4.46Å; K18-V20 HydrophobicContact CB-CG2 4.19Å; K18-V20 PolarHBondContact O-N 3.47Å; V20-F22 HydrophobicContact CG1-CE2 4.06Å; V20-F22 HydrophobicContact CG1-CZ 4.28Å; V20-C54 HydrophobicContact CG1-CB 3.55Å; V20-E56 VanDerWaalsContact CG2-OE1 3.26Å; V20-E56 WeakPolarHBondContact CG2-OE1 3.41Å
21S82.1Confident79.4Confident41 Ų4191.4 Ų91.429%0.28746%0.458SS..  trans-92.4150.8175.859.20000111.6H23 C54 S55S21-H23 WeakPolarHBondContact CB-NE2 3.47Å; S21-H23 PolarHBondContact O-NE2 3.35Å; S21-H23 PolarHBondContact OG-NE2 2.89Å; S21-C54 CarbonylContact O-C 3.46Å; S21-C54 VanDerWaalsContact O-CA 3.31Å; S21-C54 WeakPolarHBondContact O-CA 3.46Å; S21-S55 PolarHBondContact N-OG 3.34Å; S21-S55 VanDerWaalsContact N-OG 3.1Å; S21-S55 PolarHBondContact O-N 3.44Å; S21-S55 WeakPolarHBondContact OG-CB 3.44Å
22F84.1Confident79.2Confident25 Ų2583.1 Ų83.111%0.1142%0.422CS..EExtended strand (participates in β ladder)trans-114.3121.3-177.6-71.8-98.8000110.5Q3 C5 N12 R13 Y14 V20 C54Q3-F22 HydrophobicContact CB-CD1 4.34Å; Q3-F22 HydrophobicContact CB-CG 4.3Å; C5-F22 HydrophobicContact CB-CE1 4.35Å; N12-F22 HydrophobicContact CB-CZ 4.24Å; R13-F22 VanDerWaalsContact C-CZ 3.42Å; Y14-F22 HydrophobicContact CD2-CD2 4.05Å; Y14-F22 HydrophobicContact CD2-CE2 4.33Å; V20-F22 HydrophobicContact CG1-CE2 4.06Å; V20-F22 HydrophobicContact CG1-CZ 4.28Å; F22-C54 HydrophobicContact CD1-CB 4.4Å; F22-C54 HydrophobicContact CE1-CB 4.11Å; F22-C54 HydrophobicContact CZ-CB 4.38Å
23H83.8Confident78.9Confident15 Ų1581.6 Ų81.67%0.06942%0.415CS..EExtended strand (participates in β ladder)trans-106124-175.5-59.7-76.3000109.7S21 W36 S52 I53 S55 F58 F63 N69 K70 L72S21-H23 WeakPolarHBondContact CB-NE2 3.47Å; S21-H23 PolarHBondContact O-NE2 3.35Å; S21-H23 PolarHBondContact OG-NE2 2.89Å; H23-W36 HydrophobicContact CB-CH2 4.13Å; H23-W36 HydrophobicContact CB-CZ3 4.46Å; H23-S52 CarbonylContact O-C 3.48Å; H23-S52 WeakPolarHBondContact O-CA 3.44Å; H23-S52 WeakPolarHBondContact O-CB 3.38Å; H23-I53 PolarHBondContact N-O 3.04Å; H23-I53 PolarHBondContact O-N 3.38Å; H23-S55 VanDerWaalsContact NE2-CB 3.33Å; H23-S55 WeakPolarHBondContact NE2-CB 3.26Å; H23-F58 HydrophobicContact CB-CE2 4.31Å; H23-F63 AromaticContact CE1-CE1 3.81Å; H23-F63 AromaticContact NE2-CE1 3.56Å; H23-F63 AromaticContact NE2-CZ 3.97Å; H23-N69 PolarHBondContact CE1-O 3.11Å; H23-K70 WeakPolarHBondContact CE1-CA 3.33Å; H23-K70 PolarHBondContact CE1-O 3.44Å; H23-K70 PolarHBondContact ND1-O 2.99Å; H23-L72 HydrophobicContact CB-CD1 3.75Å
24K84.3Confident78.6Confident131 Ų13180.1 Ų80.157%0.5741%0.413SS*.EExtended strand (participates in β ladder)trans-74.7152.6177.2-65.9-176.6-179179.70110.5W36K24-W36 WeakPolarHBondContact O-CZ3 3.41Å
25F81.6Confident78.5Confident11 Ų1179.7 Ų79.75%0.04842%0.415CS..  trans-61.2139.1175.2-82-105000111.7L27 W36 E37 V40 F45 P47 I53F25-L27 HydrophobicContact CB-CD2 4.39Å; F25-L27 PolarHBondContact O-N 3.49Å; F25-W36 HydrophobicContact CD1-CB 3.85Å; F25-W36 AromaticContact CD1-CE3 3.96Å; F25-W36 HydrophobicContact CD1-CE3 3.96Å; F25-W36 HydrophobicContact CD2-CE3 4.4Å; F25-W36 HydrophobicContact CE1-CB 3.52Å; F25-W36 HydrophobicContact CE1-CE3 4.16Å; F25-W36 HydrophobicContact CG-CE3 4.09Å; F25-W36 HydrophobicContact CZ-CB 4.42Å; F25-W36 HydrophobicContact CZ-CE3 4.46Å; F25-E37 HydrophobicContact CE1-CG 4.37Å; F25-V40 HydrophobicContact CZ-CG2 4.02Å; F25-F45 HydrophobicContact CE1-CE1 4.28Å; F25-F45 HydrophobicContact CE2-CE1 4.2Å; F25-F45 HydrophobicContact CE2-CZ 4.3Å; F25-F45 AromaticContact CZ-CE1 3.72Å; F25-F45 HydrophobicContact CZ-CE1 3.72Å; F25-F45 HydrophobicContact CZ-CZ 4.25Å; F25-P47 HydrophobicContact CB-CB 3.98Å; F25-P47 HydrophobicContact CD1-CB 3.37Å; F25-P47 HydrophobicContact CD1-CG 3.94Å; F25-P47 HydrophobicContact CD2-CB 3.94Å; F25-P47 HydrophobicContact CE1-CB 3.72Å; F25-P47 HydrophobicContact CE1-CG 4.33Å; F25-P47 HydrophobicContact CE2-CB 4.26Å; F25-P47 HydrophobicContact CG-CB 3.47Å; F25-P47 VanDerWaalsContact CG-CB 3.47Å; F25-P47 HydrophobicContact CG-CG 4.4Å; F25-P47 HydrophobicContact CZ-CB 4.15Å; F25-I53 HydrophobicContact CE1-CD1 4.39Å; F25-I53 HydrophobicContact CE2-CD1 4.07Å; F25-I53 HydrophobicContact CE2-CG1 3.81Å; F25-I53 HydrophobicContact CZ-CD1 3.73Å; F25-I53 HydrophobicContact CZ-CG1 3.99Å
26P76.8Confident78.7Confident24 Ų2477 Ų7716%0.15640%0.4CS..  trans-78.269.7-179.833.1-35.8000111.1T28 R29 L32 C33 W36P26-T28 PolarHBondContact O-N 2.93Å; P26-R29 CarbonylContact O-C 3.5Å; P26-R29 PolarHBondContact O-N 3.12Å; P26-L32 HydrophobicContact CB-CD2 4.22Å; P26-L32 HydrophobicContact CG-CB 4.08Å; P26-L32 HydrophobicContact CG-CD2 3.82Å; P26-L32 HydrophobicContact CG-CG 3.87Å; P26-C33 HydrophobicContact CG-CB 4.48Å; P26-W36 HydrophobicContact CG-CD2 4.45Å
27L73.8Confident78.9Confident90 Ų9071.8 Ų71.847%0.47138%0.378SS..THydrogen-bonded Turntrans-58.7-20.3-178.7-62.2178.6000113.7F25 K49F25-L27 HydrophobicContact CB-CD2 4.39Å; F25-L27 PolarHBondContact O-N 3.49Å; L27-K49 HydrophobicContact CD1-CB 4.02Å
28T71.7Confident78.9Confident133 Ų13367.9 Ų67.982%0.81637%0.368SS*.THydrogen-bonded Turntrans-78.3-14.4173.951.60000113.9P26P26-T28 PolarHBondContact O-N 2.93Å
29R71.9Confident78.8Confident105 Ų10563.1 Ų63.140%0.39635%0.35SS..  trans-124.486.9179.1-61.3-172.286.2146.7-2.3109.3P26 S31 L32 C33 E74P26-R29 CarbonylContact O-C 3.5Å; P26-R29 PolarHBondContact O-N 3.12Å; R29-S31 PolarHBondContact O-N 2.81Å; R29-S31 VanDerWaalsContact O-N 3.16Å; R29-L32 HydrophobicContact CB-CB 4.26Å; R29-L32 PolarHBondContact O-N 3.47Å; R29-C33 WeakPolarHBondContact O-CB 3.38Å; R29-C33 PolarHBondContact O-N 3Å; R29-E74 IonicContact CZ-OE2 3.61Å; R29-E74 VanDerWaalsContact NH1-CD 3.34Å; R29-E74 IonicContact NH1-OE2 2.73Å; R29-E74 PolarHBondContact NH1-OE2 2.86Å; R29-E74 IonicContact NH2-OE2 3.56Å
30P73.9Confident78.8Confident91 Ų9156.8 Ų56.859%0.59131%0.309SS*.Hα-helixtrans-63.8-24.1-171.224.3-34.4000114K34P30-K34 VanDerWaalsContact O-CG 3.31Å; P30-K34 WeakPolarHBondContact O-CG 3.47Å; P30-K34 PolarHBondContact O-N 3.28Å; P30-K34 VanDerWaalsContact O-N 3.13Å
31S75.2Confident78.4Confident88 Ų8863.2 Ų63.262%0.61533%0.331SS*.Hα-helixtrans-64-56.117247.40000111.8R29 C33 K34 E35R29-S31 PolarHBondContact O-N 2.81Å; R29-S31 VanDerWaalsContact O-N 3.16Å; S31-C33 VanDerWaalsContact C-N 3.29Å; S31-C33 PolarHBondContact O-N 3.21Å; S31-K34 PolarHBondContact O-N 2.91Å; S31-E35 PolarHBondContact O-N 3.23Å
32L76.9Confident77.9Confident15 Ų1566.2 Ų66.28%0.07934%0.337CS..Hα-helixtrans-64.9-34.4179-170.666000111.8P26 R29 E35 W36 V77P26-L32 HydrophobicContact CB-CD2 4.22Å; P26-L32 HydrophobicContact CG-CB 4.08Å; P26-L32 HydrophobicContact CG-CD2 3.82Å; P26-L32 HydrophobicContact CG-CG 3.87Å; R29-L32 HydrophobicContact CB-CB 4.26Å; R29-L32 PolarHBondContact O-N 3.47Å; L32-E35 PolarHBondContact O-N 3.01Å; L32-W36 PolarHBondContact O-N 3.35Å; L32-V77 HydrophobicContact CD1-CG2 4.48Å
33C79.4Confident77.2Confident7 Ų774.5 Ų74.55%0.04737%0.372CS..Hα-helixtrans-61-48.3174.9-165.70000111.6P26 R29 S31 E35 W36 E37 P47P26-C33 HydrophobicContact CG-CB 4.48Å; R29-C33 WeakPolarHBondContact O-CB 3.38Å; R29-C33 PolarHBondContact O-N 3Å; S31-C33 VanDerWaalsContact C-N 3.29Å; S31-C33 PolarHBondContact O-N 3.21Å; C33-E35 VanDerWaalsContact C-N 3.25Å; C33-E35 PolarHBondContact O-N 3.05Å; C33-W36 PolarHBondContact O-N 2.99Å; C33-E37 VanDerWaalsContact O-CG 3.27Å; C33-E37 WeakPolarHBondContact O-CG 3.41Å; C33-E37 PolarHBondContact O-N 2.97Å; C33-E37 PolarHBondContact SG-OE1 3.47Å; C33-P47 VanDerWaalsContact SG-CG 3.53Å
34K77.9Confident76.6Confident146 Ų14681.8 Ų81.864%0.63541%0.412SS*.Hα-helixtrans-58.8-35.9174.5-76.4175.8178.4-174.30113P30 S31 E37 A38P30-K34 VanDerWaalsContact O-CG 3.31Å; P30-K34 WeakPolarHBondContact O-CG 3.47Å; P30-K34 PolarHBondContact O-N 3.28Å; P30-K34 VanDerWaalsContact O-N 3.13Å; S31-K34 PolarHBondContact O-N 2.91Å; K34-E37 WeakPolarHBondContact O-CB 3.4Å; K34-E37 PolarHBondContact O-N 3.11Å; K34-A38 WeakPolarHBondContact O-CB 3.48Å; K34-A38 PolarHBondContact O-N 3.43Å
35E81.1Confident76.4Confident99 Ų9977.7 Ų77.746%0.46339%0.394SS..Hα-helixtrans-68.9-41.1178.5-155.5170.4-166.400111.6S31 L32 C33 A39 V77S31-E35 PolarHBondContact O-N 3.23Å; L32-E35 PolarHBondContact O-N 3.01Å; C33-E35 VanDerWaalsContact C-N 3.25Å; C33-E35 PolarHBondContact O-N 3.05Å; E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 2.94Å; E35-V77 HydrophobicContact CG-CG1 3.86Å; E35-V77 HydrophobicContact CG-CG2 3.88Å; E35-V77 WeakPolarHBondContact OE1-CG2 3.12Å; E35-V77 VanDerWaalsContact OE2-CG2 3.32Å; E35-V77 WeakPolarHBondContact OE2-CG2 3.33Å
36W83.8Confident76.1Confident6 Ų685.5 Ų85.52%0.02343%0.428CS..Hα-helixtrans-66.1-37171.3-71.834.3000112.6H23 K24 F25 P26 L32 C33 A39 V40 I53 F58 L72 A76 P78H23-W36 HydrophobicContact CB-CH2 4.13Å; H23-W36 HydrophobicContact CB-CZ3 4.46Å; K24-W36 WeakPolarHBondContact O-CZ3 3.41Å; F25-W36 HydrophobicContact CD1-CB 3.85Å; F25-W36 AromaticContact CD1-CE3 3.96Å; F25-W36 HydrophobicContact CD1-CE3 3.96Å; F25-W36 HydrophobicContact CD2-CE3 4.4Å; F25-W36 HydrophobicContact CE1-CB 3.52Å; F25-W36 HydrophobicContact CE1-CE3 4.16Å; F25-W36 HydrophobicContact CG-CE3 4.09Å; F25-W36 HydrophobicContact CZ-CB 4.42Å; F25-W36 HydrophobicContact CZ-CE3 4.46Å; P26-W36 HydrophobicContact CG-CD2 4.45Å; L32-W36 PolarHBondContact O-N 3.35Å; C33-W36 PolarHBondContact O-N 2.99Å; W36-A39 PolarHBondContact O-N 3.29Å; W36-V40 WeakPolarHBondContact O-CG2 3.4Å; W36-V40 PolarHBondContact O-N 2.84Å; W36-I53 HydrophobicContact CD2-CD1 4.3Å; W36-I53 HydrophobicContact CE3-CD1 3.66Å; W36-I53 HydrophobicContact CE3-CG1 4.3Å; W36-I53 HydrophobicContact CZ3-CD1 4.29Å; W36-F58 HydrophobicContact CD2-CZ 4.38Å; W36-F58 AromaticContact CE2-CE1 3.88Å; W36-F58 HydrophobicContact CE3-CZ 4.23Å; W36-F58 AromaticContact CH2-CE1 3.93Å; W36-F58 HydrophobicContact CH2-CE1 3.93Å; W36-F58 AromaticContact CH2-CZ 3.5Å; W36-F58 HydrophobicContact CH2-CZ 3.5Å; W36-F58 VanDerWaalsContact CH2-CZ 3.5Å; W36-F58 AromaticContact CZ2-CE1 3.57Å; W36-F58 HydrophobicContact CZ2-CE1 3.57Å; W36-F58 AromaticContact CZ2-CZ 3.65Å; W36-F58 HydrophobicContact CZ2-CZ 3.65Å; W36-F58 AromaticContact CZ3-CZ 3.8Å; W36-F58 HydrophobicContact CZ3-CZ 3.8Å; W36-L72 HydrophobicContact CH2-CD1 3.5Å; W36-L72 HydrophobicContact CZ2-CD1 3.59Å; W36-A76 PolarHBondContact NE1-O 2.75Å; W36-P78 HydrophobicContact CB-CG 4.31Å; W36-P78 HydrophobicContact CD2-CG 4.23Å; W36-P78 HydrophobicContact CG-CG 3.97Å
37E81.3Confident76.2Confident61 Ų6185.4 Ų85.429%0.28543%0.427SS..Hα-helixtrans-61.7-50.1174.7-73.6167.2-135.800111.7F25 C33 K34 A39 V40 P47F25-E37 HydrophobicContact CE1-CG 4.37Å; C33-E37 VanDerWaalsContact O-CG 3.27Å; C33-E37 WeakPolarHBondContact O-CG 3.41Å; C33-E37 PolarHBondContact O-N 2.97Å; C33-E37 PolarHBondContact SG-OE1 3.47Å; K34-E37 WeakPolarHBondContact O-CB 3.4Å; K34-E37 PolarHBondContact O-N 3.11Å; E37-A39 VanDerWaalsContact C-N 3.29Å; E37-A39 PolarHBondContact O-N 3.16Å; E37-V40 PolarHBondContact O-N 3.5Å; E37-P47 HydrophobicContact CG-CB 4.42Å; E37-P47 HydrophobicContact CG-CG 3.55Å; E37-P47 WeakPolarHBondContact OE1-CD 3.47Å; E37-P47 WeakPolarHBondContact OE1-CG 3.47Å
38A78.1Confident76.5Confident72 Ų7284.4 Ų84.460%0.59543%0.425SS*.Hα-helixtrans-59.1-42.3176.600000111.3K34 R41K34-A38 WeakPolarHBondContact O-CB 3.48Å; K34-A38 PolarHBondContact O-N 3.43Å; A38-R41 WeakPolarHBondContact O-CG 3.42Å; A38-R41 PolarHBondContact O-N 3.41Å
39A77.5Confident76.9Confident16 Ų1684.4 Ų84.413%0.13241%0.414CS..Hα-helixtrans-67.5-35.2178.700000112.7E35 W36 E37 R41 P78 F81E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 2.94Å; W36-A39 PolarHBondContact O-N 3.29Å; E37-A39 VanDerWaalsContact C-N 3.29Å; E37-A39 PolarHBondContact O-N 3.16Å; A39-R41 WeakPolarHBondContact O-CG 3.32Å; A39-R41 PolarHBondContact O-N 3.48Å; A39-R41 VanDerWaalsContact O-N 3.15Å; A39-P78 HydrophobicContact CB-CG 4.11Å; A39-F81 VanDerWaalsContact C-CZ 3.49Å; A39-F81 HydrophobicContact CB-CD2 3.71Å; A39-F81 HydrophobicContact CB-CE2 3.31Å; A39-F81 HydrophobicContact CB-CZ 4.23Å; A39-F81 WeakPolarHBondContact O-CD1 3.4Å; A39-F81 WeakPolarHBondContact O-CD2 3.33Å; A39-F81 WeakPolarHBondContact O-CE1 3.48Å; A39-F81 WeakPolarHBondContact O-CE2 3.39Å; A39-F81 WeakPolarHBondContact O-CG 3.29Å; A39-F81 WeakPolarHBondContact O-CZ 3.47Å
40V79.7Confident77.3Confident0 Ų087.5 Ų87.50%043%0.427CS..Hα-helixtrans-62.1-19.7174.2162.40000113.7S6 F25 W36 E37 R42 F45 I53 F81S6-V40 WeakPolarHBondContact O-CG1 3.37Å; F25-V40 HydrophobicContact CZ-CG2 4.02Å; W36-V40 WeakPolarHBondContact O-CG2 3.4Å; W36-V40 PolarHBondContact O-N 2.84Å; E37-V40 PolarHBondContact O-N 3.5Å; V40-R42 HydrophobicContact CG1-CB 4.03Å; V40-R42 PolarHBondContact O-N 3.46Å; V40-F45 HydrophobicContact CG1-CD1 3.93Å; V40-F45 HydrophobicContact CG1-CE1 4.2Å; V40-F45 HydrophobicContact CG1-CG 4.25Å; V40-I53 HydrophobicContact CG2-CD1 3.79Å; V40-I53 HydrophobicContact CG2-CG1 4.41Å; V40-F81 HydrophobicContact CB-CE1 4.37Å; V40-F81 HydrophobicContact CB-CZ 4.25Å; V40-F81 HydrophobicContact CG2-CE1 3.97Å; V40-F81 HydrophobicContact CG2-CZ 3.61Å
41R70.6Confident77.8Confident152 Ų15283.6 Ų83.657%0.57440%0.402SS*.  trans53.814.8171.5-69.7175.2-179-150.11.7116A38 A39 C83A38-R41 WeakPolarHBondContact O-CG 3.42Å; A38-R41 PolarHBondContact O-N 3.41Å; A39-R41 WeakPolarHBondContact O-CG 3.32Å; A39-R41 PolarHBondContact O-N 3.48Å; A39-R41 VanDerWaalsContact O-N 3.15Å; R41-C83 WeakPolarHBondContact CD-SG 3.26Å; R41-C83 PolarHBondContact NH1-SG 2.94Å
42R72.8Confident78.3Confident104 Ų10479.5 Ų79.539%0.39237%0.373SS..  trans-90.7119.7177.6-177.2-177.8-80.6103.9-6.1110.2S6 A7 V40 N44 F45S6-R42 PolarHBondContact O-NH1 3.24Å; A7-R42 PolarHBondContact O-NH2 3.42Å; V40-R42 HydrophobicContact CG1-CB 4.03Å; V40-R42 PolarHBondContact O-N 3.46Å; R42-N44 PolarHBondContact O-N 2.9Å; R42-F45 HydrophobicContact CB-CB 3.88Å; R42-F45 HydrophobicContact CG-CB 4.13Å; R42-F45 VanDerWaalsContact O-CB 3.29Å; R42-F45 WeakPolarHBondContact O-CB 3.35Å; R42-F45 PolarHBondContact O-N 3.12Å; R42-F45 VanDerWaalsContact O-N 3.15Å
43K70.1Confident78.8Confident198 Ų19878.8 Ų78.886%0.86137%0.369SS*.THydrogen-bonded Turntrans-50.8132.7175.7-65.9-178.2179.9178.60110.8F45K43-F45 PolarHBondContact O-N 3.19Å; K43-F45 VanDerWaalsContact O-N 3.13Å
44N71Confident79.1Confident168 Ų16878.4 Ų78.490%0.89837%0.367SS*.THydrogen-bonded Turntrans57.816.5179.5-55.8-27.3000116.2R42 K46R42-N44 PolarHBondContact O-N 2.9Å; N44-K46 PolarHBondContact O-N 3.33Å
45F78.9Confident79.3Confident45 Ų4572.5 Ų72.520%0.19734%0.344CS..  trans-71.7118.4175.3-179.8-99.9000111F25 V40 R42 K43 P47F25-F45 HydrophobicContact CE1-CE1 4.28Å; F25-F45 HydrophobicContact CE2-CE1 4.2Å; F25-F45 HydrophobicContact CE2-CZ 4.3Å; F25-F45 AromaticContact CZ-CE1 3.72Å; F25-F45 HydrophobicContact CZ-CE1 3.72Å; F25-F45 HydrophobicContact CZ-CZ 4.25Å; V40-F45 HydrophobicContact CG1-CD1 3.93Å; V40-F45 HydrophobicContact CG1-CE1 4.2Å; V40-F45 HydrophobicContact CG1-CG 4.25Å; R42-F45 HydrophobicContact CB-CB 3.88Å; R42-F45 HydrophobicContact CG-CB 4.13Å; R42-F45 VanDerWaalsContact O-CB 3.29Å; R42-F45 WeakPolarHBondContact O-CB 3.35Å; R42-F45 PolarHBondContact O-N 3.12Å; R42-F45 VanDerWaalsContact O-N 3.15Å; K43-F45 PolarHBondContact O-N 3.19Å; K43-F45 VanDerWaalsContact O-N 3.13Å; F45-P47 HydrophobicContact CE1-CB 4.02Å
46K76.9Confident79.3Confident176 Ų17672.8 Ų72.877%0.76535%0.345SS*.  trans-105.3125.6167.4-66.1-172.4177.5-176.10108.6N44N44-K46 PolarHBondContact O-N 3.33Å
47P78.6Confident79.2Confident21 Ų2173.4 Ų73.414%0.13635%0.348CS..  trans-73.2134.7-178.730.6-31.1000109.1F25 C33 E37 F45F25-P47 HydrophobicContact CB-CB 3.98Å; F25-P47 HydrophobicContact CD1-CB 3.37Å; F25-P47 HydrophobicContact CD1-CG 3.94Å; F25-P47 HydrophobicContact CD2-CB 3.94Å; F25-P47 HydrophobicContact CE1-CB 3.72Å; F25-P47 HydrophobicContact CE1-CG 4.33Å; F25-P47 HydrophobicContact CE2-CB 4.26Å; F25-P47 HydrophobicContact CG-CB 3.47Å; F25-P47 VanDerWaalsContact CG-CB 3.47Å; F25-P47 HydrophobicContact CG-CG 4.4Å; F25-P47 HydrophobicContact CZ-CB 4.15Å; C33-P47 VanDerWaalsContact SG-CG 3.53Å; E37-P47 HydrophobicContact CG-CB 4.42Å; E37-P47 HydrophobicContact CG-CG 3.55Å; E37-P47 WeakPolarHBondContact OE1-CD 3.47Å; E37-P47 WeakPolarHBondContact OE1-CG 3.47Å; F45-P47 HydrophobicContact CE1-CB 4.02Å
48T80.2Confident79.1Confident69 Ų6970.9 Ų70.942%0.42334%0.336SS..  trans-109.2169.2176.969.70000109.7Y50 S51T48-Y50 PolarHBondContact O-N 3.14Å; T48-Y50 PolarHBondContact OG1-N 2.69Å; T48-S51 PolarHBondContact N-OG 3.02Å; T48-S51 WeakPolarHBondContact O-CB 3.28Å; T48-S51 PolarHBondContact O-N 3.48Å; T48-S51 PolarHBondContact OG1-N 3.26Å; T48-S51 PolarHBondContact OG1-OG 2.85Å; T48-S51 VanDerWaalsContact OG1-OG 3.1Å
49K78.6Confident78.7Confident134 Ų13469.6 Ų69.658%0.58332%0.321SS*.THydrogen-bonded Turntrans-60.3-10.3172.168.6-174.5-176-1790114.6L27L27-K49 HydrophobicContact CD1-CB 4.02Å
50Y81.1Confident78.3Confident169 Ų16973.5 Ų73.566%0.66335%0.345SS*.THydrogen-bonded Turntrans-103.4-11.6175.9-54.9-71.6000113.2T48T48-Y50 PolarHBondContact O-N 3.14Å; T48-Y50 PolarHBondContact OG1-N 2.69Å
51S83.9Confident77.5Confident10 Ų1078.7 Ų78.77%0.0737%0.373CS..  trans-71.5136174.9-58.70000110.1T48T48-S51 PolarHBondContact N-OG 3.02Å; T48-S51 WeakPolarHBondContact O-CB 3.28Å; T48-S51 PolarHBondContact O-N 3.48Å; T48-S51 PolarHBondContact OG1-N 3.26Å; T48-S51 PolarHBondContact OG1-OG 2.85Å; T48-S51 VanDerWaalsContact OG1-OG 3.1Å
52S86.7Confident77.3Confident1 Ų172.3 Ų72.31%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-146.7148-179.751.20000111.8S4 C5 S6 H23S4-S52 PolarHBondContact O-OG 2.85Å; C5-S52 CarbonylContact C-O 3.52Å; C5-S52 WeakPolarHBondContact CA-O 3.4Å; S6-S52 WeakPolarHBondContact CB-O 3.4Å; S6-S52 PolarHBondContact N-O 3.3Å; S6-S52 PolarHBondContact OG-N 3.4Å; S6-S52 PolarHBondContact OG-O 2.92Å; H23-S52 CarbonylContact O-C 3.48Å; H23-S52 WeakPolarHBondContact O-CA 3.44Å; H23-S52 WeakPolarHBondContact O-CB 3.38Å
53I86.4Confident77.1Confident0 Ų067.9 Ų67.90%034%0.335CS..EExtended strand (participates in β ladder)trans-112139.3174.8-56.6-179000108H23 F25 W36 V40 H57 F58 P78 F81H23-I53 PolarHBondContact N-O 3.04Å; H23-I53 PolarHBondContact O-N 3.38Å; F25-I53 HydrophobicContact CE1-CD1 4.39Å; F25-I53 HydrophobicContact CE2-CD1 4.07Å; F25-I53 HydrophobicContact CE2-CG1 3.81Å; F25-I53 HydrophobicContact CZ-CD1 3.73Å; F25-I53 HydrophobicContact CZ-CG1 3.99Å; W36-I53 HydrophobicContact CD2-CD1 4.3Å; W36-I53 HydrophobicContact CE3-CD1 3.66Å; W36-I53 HydrophobicContact CE3-CG1 4.3Å; W36-I53 HydrophobicContact CZ3-CD1 4.29Å; V40-I53 HydrophobicContact CG2-CD1 3.79Å; V40-I53 HydrophobicContact CG2-CG1 4.41Å; I53-H57 HydrophobicContact CG2-CB 3.65Å; I53-F58 HydrophobicContact CB-CE2 3.86Å; I53-F58 HydrophobicContact CB-CZ 4.11Å; I53-F58 HydrophobicContact CG2-CD2 4.5Å; I53-F58 HydrophobicContact CG2-CE2 3.63Å; I53-F58 HydrophobicContact CG2-CZ 4.07Å; I53-P78 HydrophobicContact CD1-CB 4.35Å; I53-P78 HydrophobicContact CD1-CG 3.86Å; I53-P78 HydrophobicContact CG2-CB 4.45Å; I53-F81 HydrophobicContact CD1-CZ 4.42Å
54C85.2Confident76.7Confident0 Ų061 Ų610%031%0.305CS..EExtended strand (participates in β ladder)trans-77.1157.6177.461.80000112.2C5 C10 N12 V20 S21 F22 E56 H57 F58C5-C54 HydrophobicContact CB-CB 4.39Å; C5-C54 PolarHBondContact SG-N 3.34Å; C5-C54 VanDerWaalsContact SG-N 3.37Å; C10-C54 VanDerWaalsContact SG-SG 3.69Å; N12-C54 HydrophobicContact CB-CB 4.4Å; V20-C54 HydrophobicContact CG1-CB 3.55Å; S21-C54 CarbonylContact O-C 3.46Å; S21-C54 VanDerWaalsContact O-CA 3.31Å; S21-C54 WeakPolarHBondContact O-CA 3.46Å; F22-C54 HydrophobicContact CD1-CB 4.4Å; F22-C54 HydrophobicContact CE1-CB 4.11Å; F22-C54 HydrophobicContact CZ-CB 4.38Å; C54-E56 PolarHBondContact O-N 3.11Å; C54-E56 VanDerWaalsContact O-N 3.15Å; C54-H57 PolarHBondContact O-N 3.16Å; C54-H57 PolarHBondContact SG-CD2 3.42Å; C54-H57 PolarHBondContact SG-NE2 3.4Å; C54-F58 WeakPolarHBondContact O-CD2 3.4Å
55S83Confident75.9Confident21 Ų2163.4 Ų63.415%0.14730%0.301CS..G310 helixtrans-58.6-25-178.448.10000114.8S21 H23 H57 F58S21-S55 PolarHBondContact N-OG 3.34Å; S21-S55 VanDerWaalsContact N-OG 3.1Å; S21-S55 PolarHBondContact O-N 3.44Å; S21-S55 WeakPolarHBondContact OG-CB 3.44Å; H23-S55 VanDerWaalsContact NE2-CB 3.33Å; H23-S55 WeakPolarHBondContact NE2-CB 3.26Å; S55-H57 PolarHBondContact O-N 3.37Å; S55-F58 PolarHBondContact O-N 3.05Å; S55-F58 VanDerWaalsContact O-N 3.12Å; S55-F58 VanDerWaalsContact O-O 3.13Å
56E81.5Confident74.8Confident105 Ų10568.5 Ų68.549%0.49133%0.326SS..G310 helixtrans-62.6-23.5178.5-68.5169.2-16400113.5N12 V20 C54 F58N12-E56 PolarHBondContact ND2-OE1 3.43Å; N12-E56 VanDerWaalsContact ND2-OE1 3.16Å; N12-E56 PolarHBondContact ND2-OE2 3.48Å; V20-E56 VanDerWaalsContact CG2-OE1 3.26Å; V20-E56 WeakPolarHBondContact CG2-OE1 3.41Å; C54-E56 PolarHBondContact O-N 3.11Å; C54-E56 VanDerWaalsContact O-N 3.15Å; E56-F58 VanDerWaalsContact C-N 3.31Å
57H81.8Confident73.6Confident20 Ų2061.7 Ų61.79%0.09330%0.3CS..G310 helixtrans-84.7-4.1177.5-62.5-59.1000113.8A7 C10 I53 C54 S55 P78 I80A7-H57 WeakPolarHBondContact CB-NE2 3.45Å; C10-H57 PolarHBondContact SG-NE2 2.92Å; C10-H57 VanDerWaalsContact SG-NE2 3.44Å; I53-H57 HydrophobicContact CG2-CB 3.65Å; C54-H57 PolarHBondContact O-N 3.16Å; C54-H57 PolarHBondContact SG-CD2 3.42Å; C54-H57 PolarHBondContact SG-NE2 3.4Å; S55-H57 PolarHBondContact O-N 3.37Å; H57-P78 HydrophobicContact CB-CB 4.13Å; H57-P78 CarbonylContact O-C 3.43Å; H57-P78 VanDerWaalsContact O-CA 3.22Å; H57-P78 WeakPolarHBondContact O-CA 3.26Å; H57-I80 PolarHBondContact ND1-O 3.06Å; H57-I80 PolarHBondContact O-N 3.16Å
58F78.8Confident72.4Confident7 Ų765.4 Ų65.43%0.03132%0.319CS..SBendtrans-114138.8179.6-60.2-85.3000110.2H23 W36 I53 C54 S55 E56 C62 F63 L72 P78H23-F58 HydrophobicContact CB-CE2 4.31Å; W36-F58 HydrophobicContact CD2-CZ 4.38Å; W36-F58 AromaticContact CE2-CE1 3.88Å; W36-F58 HydrophobicContact CE3-CZ 4.23Å; W36-F58 AromaticContact CH2-CE1 3.93Å; W36-F58 HydrophobicContact CH2-CE1 3.93Å; W36-F58 AromaticContact CH2-CZ 3.5Å; W36-F58 HydrophobicContact CH2-CZ 3.5Å; W36-F58 VanDerWaalsContact CH2-CZ 3.5Å; W36-F58 AromaticContact CZ2-CE1 3.57Å; W36-F58 HydrophobicContact CZ2-CE1 3.57Å; W36-F58 AromaticContact CZ2-CZ 3.65Å; W36-F58 HydrophobicContact CZ2-CZ 3.65Å; W36-F58 AromaticContact CZ3-CZ 3.8Å; W36-F58 HydrophobicContact CZ3-CZ 3.8Å; I53-F58 HydrophobicContact CB-CE2 3.86Å; I53-F58 HydrophobicContact CB-CZ 4.11Å; I53-F58 HydrophobicContact CG2-CD2 4.5Å; I53-F58 HydrophobicContact CG2-CE2 3.63Å; I53-F58 HydrophobicContact CG2-CZ 4.07Å; C54-F58 WeakPolarHBondContact O-CD2 3.4Å; S55-F58 PolarHBondContact O-N 3.05Å; S55-F58 VanDerWaalsContact O-N 3.12Å; S55-F58 VanDerWaalsContact O-O 3.13Å; E56-F58 VanDerWaalsContact C-N 3.31Å; F58-C62 HydrophobicContact CB-CB 4.32Å; F58-F63 HydrophobicContact CB-CE2 3.82Å; F58-F63 HydrophobicContact CB-CZ 3.74Å; F58-F63 HydrophobicContact CG-CZ 4.39Å; F58-L72 HydrophobicContact CB-CD2 4.01Å; F58-L72 HydrophobicContact CD1-CD1 3.85Å; F58-L72 HydrophobicContact CD1-CD2 3.61Å; F58-L72 HydrophobicContact CD1-CG 4.4Å; F58-L72 HydrophobicContact CD2-CD1 4.25Å; F58-L72 HydrophobicContact CD2-CD2 4.4Å; F58-L72 HydrophobicContact CE1-CD1 3.52Å; F58-L72 HydrophobicContact CE1-CD2 4.15Å; F58-L72 HydrophobicContact CE1-CG 4.48Å; F58-L72 HydrophobicContact CE2-CD1 3.96Å; F58-L72 HydrophobicContact CG-CD1 4.2Å; F58-L72 HydrophobicContact CG-CD2 3.75Å; F58-L72 HydrophobicContact CZ-CD1 3.58Å; F58-P78 HydrophobicContact CD1-CB 4.06Å; F58-P78 HydrophobicContact CE1-CB 3.65Å; F58-P78 HydrophobicContact CE1-CG 4.01Å; F58-P78 HydrophobicContact CE2-CB 4.42Å; F58-P78 HydrophobicContact CZ-CB 3.85Å; F58-P78 HydrophobicContact CZ-CG 4.2Å
59T70.6Confident71.2Confident45 Ų4566 Ų6628%0.27632%0.319SS..  trans-67151.6171.457.30000110.3D61 C62 F63 I80T59-D61 PolarHBondContact O-N 3.13Å; T59-D61 VanDerWaalsContact O-N 3.11Å; T59-C62 WeakPolarHBondContact O-CB 3.38Å; T59-C62 PolarHBondContact O-N 3.12Å; T59-C62 PolarHBondContact OG1-N 3.49Å; T59-C62 PolarHBondContact OG1-SG 3.42Å; T59-F63 VanDerWaalsContact O-CD2 3.28Å; T59-F63 WeakPolarHBondContact O-CD2 3.3Å; T59-F63 WeakPolarHBondContact O-CE2 3.44Å; T59-I80 HydrophobicContact CG2-CD1 3.93Å; T59-I80 HydrophobicContact CG2-CG1 4.26Å
60P67.6Low70.1Confident98 Ų9865.9 Ų65.964%0.63632%0.319SS*.G310 helixtrans-56.1-28.1174.322.6-33.6000112.6C62 F63P60-C62 VanDerWaalsContact C-N 3.34Å; P60-C62 PolarHBondContact O-N 2.99Å; P60-F63 PolarHBondContact O-N 2.99Å
61D63.5Low69Low110 Ų11062.5 Ų62.559%0.58831%0.311SS*.G310 helixtrans-73.9-19.6176.9-61.5-61.8000114.4T59 F63 K73T59-D61 PolarHBondContact O-N 3.13Å; T59-D61 VanDerWaalsContact O-N 3.11Å; D61-F63 PolarHBondContact O-N 3.15Å; D61-K73 WeakPolarHBondContact O-CD 3.48Å; D61-K73 VanDerWaalsContact O-CE 3.26Å; D61-K73 WeakPolarHBondContact O-CE 3.31Å; D61-K73 PolarHBondContact O-NZ 3.49Å
62C65.3Low68Low17 Ų1763 Ų6312%0.11531%0.313CS..G310 helixtrans-70.2-12.8172.7-790000113.1F58 T59 P60 L72 K73 A76F58-C62 HydrophobicContact CB-CB 4.32Å; T59-C62 WeakPolarHBondContact O-CB 3.38Å; T59-C62 PolarHBondContact O-N 3.12Å; T59-C62 PolarHBondContact OG1-N 3.49Å; T59-C62 PolarHBondContact OG1-SG 3.42Å; P60-C62 VanDerWaalsContact C-N 3.34Å; P60-C62 PolarHBondContact O-N 2.99Å; C62-L72 HydrophobicContact CB-CD2 3.97Å; C62-L72 CarbonylContact O-C 3.57Å; C62-L72 WeakPolarHBondContact O-CA 3.34Å; C62-K73 WeakPolarHBondContact O-CB 3.28Å; C62-K73 WeakPolarHBondContact O-CG 3.28Å; C62-K73 PolarHBondContact O-N 3.41Å; C62-A76 HydrophobicContact CB-CB 3.74Å
63F68.9Low66.9Low11 Ų1167.4 Ų67.45%0.04833%0.332CS..BIsolated β-bridgetrans-90.2144-179.5-62.7-82.3000112.8H23 F58 T59 P60 D61 R65 N69 L72 K73H23-F63 AromaticContact CE1-CE1 3.81Å; H23-F63 AromaticContact NE2-CE1 3.56Å; H23-F63 AromaticContact NE2-CZ 3.97Å; F58-F63 HydrophobicContact CB-CE2 3.82Å; F58-F63 HydrophobicContact CB-CZ 3.74Å; F58-F63 HydrophobicContact CG-CZ 4.39Å; T59-F63 VanDerWaalsContact O-CD2 3.28Å; T59-F63 WeakPolarHBondContact O-CD2 3.3Å; T59-F63 WeakPolarHBondContact O-CE2 3.44Å; P60-F63 PolarHBondContact O-N 2.99Å; D61-F63 PolarHBondContact O-N 3.15Å; F63-R65 PolarHBondContact O-N 3.18Å; F63-N69 HydrophobicContact CB-CB 4.19Å; F63-N69 HydrophobicContact CD1-CB 3.74Å; F63-N69 WeakPolarHBondContact CD1-O 3.12Å; F63-N69 HydrophobicContact CD2-CB 4.4Å; F63-N69 HydrophobicContact CE1-CB 4.21Å; F63-N69 VanDerWaalsContact CE1-O 3.29Å; F63-N69 WeakPolarHBondContact CE1-O 3.15Å; F63-N69 HydrophobicContact CG-CB 3.84Å; F63-L72 HydrophobicContact CD1-CD2 3.63Å; F63-L72 HydrophobicContact CD1-CG 4.16Å; F63-L72 HydrophobicContact CD2-CD2 4.5Å; F63-L72 HydrophobicContact CE1-CD2 3.47Å; F63-L72 VanDerWaalsContact CE1-CD2 3.47Å; F63-L72 HydrophobicContact CE1-CG 4.02Å; F63-L72 HydrophobicContact CE2-CD2 4.37Å; F63-L72 HydrophobicContact CG-CD2 4.18Å; F63-L72 HydrophobicContact CZ-CD2 3.88Å; F63-K73 VanDerWaalsContact O-CE 3.28Å; F63-K73 WeakPolarHBondContact O-CE 3.05Å
64K62Low65.5Low54 Ų5472 Ų7224%0.23535%0.354CS..  trans-72.8116.9169.8-68.3-169.8-179.8-169.80108.6E66 C67 L71 K73 E74K64-E66 PolarHBondContact O-N 2.96Å; K64-E66 VanDerWaalsContact O-N 3.07Å; K64-C67 PolarHBondContact O-N 3.49Å; K64-C67 VanDerWaalsContact O-N 3.14Å; K64-C67 PolarHBondContact O-SG 3.29Å; K64-L71 HydrophobicContact CD-CD2 4.09Å; K64-L71 HydrophobicContact CD-CG 4.43Å; K64-L71 PolarHBondContact N-O 2.99Å; K64-K73 HydrophobicContact CG-CG 3.77Å; K64-E74 IonicContact NZ-OE1 2.94Å; K64-E74 PolarHBondContact NZ-OE1 3.45Å
65R55Low64.1Low218 Ų21878.8 Ų78.882%0.82339%0.39SS*.G310 helixtrans-58.8-25.3-173.1-171.1175.7-71.4171.7-1.8113.6F63 C67F63-R65 PolarHBondContact O-N 3.18Å; R65-C67 VanDerWaalsContact C-N 3.32Å; R65-C67 PolarHBondContact O-N 3.1Å
66E54.2Low63.1Low153 Ų15377.8 Ų77.872%0.71538%0.383SS*.G310 helixtrans-66.2-27.7178.8-64.3111.9-143.500114.5K64 R147K64-E66 PolarHBondContact O-N 2.96Å; K64-E66 VanDerWaalsContact O-N 3.07Å; E66-R147 PolarHBondContact O-NH1 2.86Å; E66-R147 VanDerWaalsContact O-NH1 3.13Å
67C52.1Low62Low33 Ų3374 Ų7422%0.22337%0.368CS..G310 helixtrans-109.820.9-160.574.30000115.7K64 R65 N69 K70 L71K64-C67 PolarHBondContact O-N 3.49Å; K64-C67 VanDerWaalsContact O-N 3.14Å; K64-C67 PolarHBondContact O-SG 3.29Å; R65-C67 VanDerWaalsContact C-N 3.32Å; R65-C67 PolarHBondContact O-N 3.1Å; C67-N69 VanDerWaalsContact C-N 3.3Å; C67-N69 PolarHBondContact O-N 2.94Å; C67-K70 WeakPolarHBondContact O-CB 3.34Å; C67-K70 PolarHBondContact O-N 2.92Å; C67-K70 VanDerWaalsContact O-N 3.12Å; C67-L71 HydrophobicContact CB-CB 4.16Å; C67-L71 WeakPolarHBondContact SG-CB 3.14Å; C67-L71 PolarHBondContact SG-N 3.3Å; C67-L71 PolarHBondContact SG-O 3.12Å
68N54.4Low61.1Low99 Ų9973.1 Ų73.153%0.52936%0.363SS..THydrogen-bonded Turntrans52.245.1180-57.6-17.2000113.1K70 R147N68-K70 PolarHBondContact O-N 3.44Å; N68-K70 VanDerWaalsContact O-N 3.08Å; N68-R147 PolarHBondContact OD1-NH2 3.37Å
69N54.3Low60.2Low80 Ų8077.8 Ų77.843%0.42839%0.392SS..THydrogen-bonded Turntrans57.819.5-179.6-53.9-3.9000115.2H23 F63 C67H23-N69 PolarHBondContact CE1-O 3.11Å; F63-N69 HydrophobicContact CB-CB 4.19Å; F63-N69 HydrophobicContact CD1-CB 3.74Å; F63-N69 WeakPolarHBondContact CD1-O 3.12Å; F63-N69 HydrophobicContact CD2-CB 4.4Å; F63-N69 HydrophobicContact CE1-CB 4.21Å; F63-N69 VanDerWaalsContact CE1-O 3.29Å; F63-N69 WeakPolarHBondContact CE1-O 3.15Å; F63-N69 HydrophobicContact CG-CB 3.84Å; C67-N69 VanDerWaalsContact C-N 3.3Å; C67-N69 PolarHBondContact O-N 2.94Å
70K55.8Low59.5Low132 Ų13278.5 Ų78.557%0.57439%0.394SS*.SBendtrans-81.9-27.1174.6-66.5-172.9176.8-1730113.6H23 C67 N68 D140H23-K70 WeakPolarHBondContact CE1-CA 3.33Å; H23-K70 PolarHBondContact CE1-O 3.44Å; H23-K70 PolarHBondContact ND1-O 2.99Å; C67-K70 WeakPolarHBondContact O-CB 3.34Å; C67-K70 PolarHBondContact O-N 2.92Å; C67-K70 VanDerWaalsContact O-N 3.12Å; N68-K70 PolarHBondContact O-N 3.44Å; N68-K70 VanDerWaalsContact O-N 3.08Å; K70-D140 IonicContact NZ-OD1 2.94Å; K70-D140 PolarHBondContact NZ-OD1 3.21Å
71L57.1Low58.8Low98 Ų9875.2 Ų75.251%0.51337%0.37SS..SBendtrans-121125.3-176-168.263.7000110.3K64 C67K64-L71 HydrophobicContact CD-CD2 4.09Å; K64-L71 HydrophobicContact CD-CG 4.43Å; K64-L71 PolarHBondContact N-O 2.99Å; C67-L71 HydrophobicContact CB-CB 4.16Å; C67-L71 WeakPolarHBondContact SG-CB 3.14Å; C67-L71 PolarHBondContact SG-N 3.3Å; C67-L71 PolarHBondContact SG-O 3.12Å
72L64.5Low57.9Low20 Ų2077.5 Ų77.511%0.10538%0.381CS..BIsolated β-bridgetrans-79.6150.7174.9-72.2160.8000110.5H23 W36 F58 C62 F63 A76H23-L72 HydrophobicContact CB-CD1 3.75Å; W36-L72 HydrophobicContact CH2-CD1 3.5Å; W36-L72 HydrophobicContact CZ2-CD1 3.59Å; F58-L72 HydrophobicContact CB-CD2 4.01Å; F58-L72 HydrophobicContact CD1-CD1 3.85Å; F58-L72 HydrophobicContact CD1-CD2 3.61Å; F58-L72 HydrophobicContact CD1-CG 4.4Å; F58-L72 HydrophobicContact CD2-CD1 4.25Å; F58-L72 HydrophobicContact CD2-CD2 4.4Å; F58-L72 HydrophobicContact CE1-CD1 3.52Å; F58-L72 HydrophobicContact CE1-CD2 4.15Å; F58-L72 HydrophobicContact CE1-CG 4.48Å; F58-L72 HydrophobicContact CE2-CD1 3.96Å; F58-L72 HydrophobicContact CG-CD1 4.2Å; F58-L72 HydrophobicContact CG-CD2 3.75Å; F58-L72 HydrophobicContact CZ-CD1 3.58Å; C62-L72 HydrophobicContact CB-CD2 3.97Å; C62-L72 CarbonylContact O-C 3.57Å; C62-L72 WeakPolarHBondContact O-CA 3.34Å; F63-L72 HydrophobicContact CD1-CD2 3.63Å; F63-L72 HydrophobicContact CD1-CG 4.16Å; F63-L72 HydrophobicContact CD2-CD2 4.5Å; F63-L72 HydrophobicContact CE1-CD2 3.47Å; F63-L72 VanDerWaalsContact CE1-CD2 3.47Å; F63-L72 HydrophobicContact CE1-CG 4.02Å; F63-L72 HydrophobicContact CE2-CD2 4.37Å; F63-L72 HydrophobicContact CG-CD2 4.18Å; F63-L72 HydrophobicContact CZ-CD2 3.88Å; L72-A76 HydrophobicContact CB-CB 3.77Å; L72-A76 HydrophobicContact CD2-CB 4.03Å; L72-A76 HydrophobicContact CG-CB 4.44Å
73K63.8Low56.4Low95 Ų9578.4 Ų78.441%0.41339%0.387SS..  trans-67162.7173.5-72.6175.7-178.2165.80110.2D61 C62 F63 K64 N75 A76D61-K73 WeakPolarHBondContact O-CD 3.48Å; D61-K73 VanDerWaalsContact O-CE 3.26Å; D61-K73 WeakPolarHBondContact O-CE 3.31Å; D61-K73 PolarHBondContact O-NZ 3.49Å; C62-K73 WeakPolarHBondContact O-CB 3.28Å; C62-K73 WeakPolarHBondContact O-CG 3.28Å; C62-K73 PolarHBondContact O-N 3.41Å; F63-K73 VanDerWaalsContact O-CE 3.28Å; F63-K73 WeakPolarHBondContact O-CE 3.05Å; K64-K73 HydrophobicContact CG-CG 3.77Å; K73-N75 PolarHBondContact O-N 2.85Å; K73-A76 HydrophobicContact CB-CB 4.3Å; K73-A76 WeakPolarHBondContact O-CB 3.35Å; K73-A76 PolarHBondContact O-N 3.08Å
74E55.2Low54.5Low95 Ų9584.3 Ų84.344%0.44443%0.425SS..THydrogen-bonded Turntrans-72.9-14.8-169.4-64.2177.7-14300113.9R29 K64R29-E74 IonicContact CZ-OE2 3.61Å; R29-E74 VanDerWaalsContact NH1-CD 3.34Å; R29-E74 IonicContact NH1-OE2 2.73Å; R29-E74 PolarHBondContact NH1-OE2 2.86Å; R29-E74 IonicContact NH2-OE2 3.56Å; K64-E74 IonicContact NZ-OE1 2.94Å; K64-E74 PolarHBondContact NZ-OE1 3.45Å
75N56.1Low53Low143 Ų14387.5 Ų87.577%0.76544%0.44SS*.THydrogen-bonded Turntrans-115.522.7174.3-50-22.6000111K73 V77K73-N75 PolarHBondContact O-N 2.85Å; N75-V77 PolarHBondContact O-N 3.44Å
76A61.4Low51.9Low1 Ų182.7 Ų82.71%0.00844%0.437CS..  trans-81.2106.2-177.200000110.9W36 C62 L72 K73W36-A76 PolarHBondContact NE1-O 2.75Å; C62-A76 HydrophobicContact CB-CB 3.74Å; L72-A76 HydrophobicContact CB-CB 3.77Å; L72-A76 HydrophobicContact CD2-CB 4.03Å; L72-A76 HydrophobicContact CG-CB 4.44Å; K73-A76 HydrophobicContact CB-CB 4.3Å; K73-A76 WeakPolarHBondContact O-CB 3.35Å; K73-A76 PolarHBondContact O-N 3.08Å
77V60.3Low50.9Low26 Ų2682.3 Ų82.316%0.15844%0.435CS..  trans-97.9140.8174.7-171.80000108.4L32 E35 N75 T79L32-V77 HydrophobicContact CD1-CG2 4.48Å; E35-V77 HydrophobicContact CG-CG1 3.86Å; E35-V77 HydrophobicContact CG-CG2 3.88Å; E35-V77 WeakPolarHBondContact OE1-CG2 3.12Å; E35-V77 VanDerWaalsContact OE2-CG2 3.32Å; E35-V77 WeakPolarHBondContact OE2-CG2 3.33Å; N75-V77 PolarHBondContact O-N 3.44Å; V77-T79 PolarHBondContact O-N 3.11Å; V77-T79 PolarHBondContact O-OG1 2.75Å
78P61.7Low49.9Very low0 Ų087.6 Ų87.60%046%0.461CS..  trans-70.581.8166.726.7-29.7000109.3W36 A39 I53 H57 F58 I80 F81W36-P78 HydrophobicContact CB-CG 4.31Å; W36-P78 HydrophobicContact CD2-CG 4.23Å; W36-P78 HydrophobicContact CG-CG 3.97Å; A39-P78 HydrophobicContact CB-CG 4.11Å; I53-P78 HydrophobicContact CD1-CB 4.35Å; I53-P78 HydrophobicContact CD1-CG 3.86Å; I53-P78 HydrophobicContact CG2-CB 4.45Å; H57-P78 HydrophobicContact CB-CB 4.13Å; H57-P78 CarbonylContact O-C 3.43Å; H57-P78 VanDerWaalsContact O-CA 3.22Å; H57-P78 WeakPolarHBondContact O-CA 3.26Å; F58-P78 HydrophobicContact CD1-CB 4.06Å; F58-P78 HydrophobicContact CE1-CB 3.65Å; F58-P78 HydrophobicContact CE1-CG 4.01Å; F58-P78 HydrophobicContact CE2-CB 4.42Å; F58-P78 HydrophobicContact CZ-CB 3.85Å; F58-P78 HydrophobicContact CZ-CG 4.2Å; P78-I80 VanDerWaalsContact C-N 3.27Å; P78-I80 PolarHBondContact O-N 3.3Å; P78-F81 HydrophobicContact CB-CE2 3.65Å; P78-F81 HydrophobicContact CB-CZ 4.22Å; P78-F81 HydrophobicContact CG-CE2 3.78Å; P78-F81 HydrophobicContact CG-CZ 4.3Å; P78-F81 WeakPolarHBondContact O-CD2 3.41Å; P78-F81 WeakPolarHBondContact O-CE2 3.47Å
79T60.3Low49Very low105 Ų10591.5 Ų91.564%0.64447%0.473SS*.  trans-71.6-24.7-179.9-46.80000111.8V77 F81V77-T79 PolarHBondContact O-N 3.11Å; V77-T79 PolarHBondContact O-OG1 2.75Å; T79-F81 VanDerWaalsContact C-N 3.29Å; T79-F81 PolarHBondContact O-N 3.45Å; T79-F81 VanDerWaalsContact O-N 3.12Å
80I55.7Low47.8Very low60 Ų6096.7 Ų96.731%0.30849%0.492SS..  trans-91.864.2-176.8-43.5171.7000109.8H57 T59 P78 L82H57-I80 PolarHBondContact ND1-O 3.06Å; H57-I80 PolarHBondContact O-N 3.16Å; T59-I80 HydrophobicContact CG2-CD1 3.93Å; T59-I80 HydrophobicContact CG2-CG1 4.26Å; P78-I80 VanDerWaalsContact C-N 3.27Å; P78-I80 PolarHBondContact O-N 3.3Å; I80-L82 HydrophobicContact CG2-CG 4.27Å; I80-L82 PolarHBondContact O-N 2.88Å
81F53.9Low47.2Very low29 Ų2999.6 Ų99.613%0.12751%0.508CS..  trans-79.8109148.2-71.4-89.2000106.5A7 A39 V40 I53 P78 T79 C83A7-F81 HydrophobicContact CB-CD1 4.24Å; A7-F81 HydrophobicContact CB-CE1 3.48Å; A7-F81 VanDerWaalsContact CB-CE1 3.48Å; A7-F81 HydrophobicContact CB-CZ 4.3Å; A39-F81 VanDerWaalsContact C-CZ 3.49Å; A39-F81 HydrophobicContact CB-CD2 3.71Å; A39-F81 HydrophobicContact CB-CE2 3.31Å; A39-F81 HydrophobicContact CB-CZ 4.23Å; A39-F81 WeakPolarHBondContact O-CD1 3.4Å; A39-F81 WeakPolarHBondContact O-CD2 3.33Å; A39-F81 WeakPolarHBondContact O-CE1 3.48Å; A39-F81 WeakPolarHBondContact O-CE2 3.39Å; A39-F81 WeakPolarHBondContact O-CG 3.29Å; A39-F81 WeakPolarHBondContact O-CZ 3.47Å; V40-F81 HydrophobicContact CB-CE1 4.37Å; V40-F81 HydrophobicContact CB-CZ 4.25Å; V40-F81 HydrophobicContact CG2-CE1 3.97Å; V40-F81 HydrophobicContact CG2-CZ 3.61Å; I53-F81 HydrophobicContact CD1-CZ 4.42Å; P78-F81 HydrophobicContact CB-CE2 3.65Å; P78-F81 HydrophobicContact CB-CZ 4.22Å; P78-F81 HydrophobicContact CG-CE2 3.78Å; P78-F81 HydrophobicContact CG-CZ 4.3Å; P78-F81 WeakPolarHBondContact O-CD2 3.41Å; P78-F81 WeakPolarHBondContact O-CE2 3.47Å; T79-F81 VanDerWaalsContact C-N 3.29Å; T79-F81 PolarHBondContact O-N 3.45Å; T79-F81 VanDerWaalsContact O-N 3.12Å; F81-C83 PolarHBondContact O-N 3.3Å
82L43.2Very low45.8Very low158 Ų158102.1 Ų102.183%0.82752%0.522SS*.  trans-66.865.8158.1-69.2172.8000108.3I80 T84I80-L82 HydrophobicContact CG2-CG 4.27Å; I80-L82 PolarHBondContact O-N 2.88Å; L82-T84 VanDerWaalsContact C-N 3.31Å; L82-T84 PolarHBondContact O-N 3.28Å; L82-T84 VanDerWaalsContact O-N 3.08Å
83C33.8Very low44.3Very low37 Ų37108.5 Ų108.525%0.2556%0.555CS.*  trans-64.9101.2155.2-101.50000105.9R41 F81 E85R41-C83 WeakPolarHBondContact CD-SG 3.26Å; R41-C83 PolarHBondContact NH1-SG 2.94Å; F81-C83 PolarHBondContact O-N 3.3Å; C83-E85 HydrophobicContact CB-CB 4.29Å; C83-E85 HydrophobicContact CB-CG 3.77Å; C83-E85 PolarHBondContact O-N 3.01Å
84T30.3Very low42.8Very low135 Ų135112 Ų11283%0.82857%0.573SS**  trans-57.575.1134.842.50000108.4L82L82-T84 VanDerWaalsContact C-N 3.31Å; L82-T84 PolarHBondContact O-N 3.28Å; L82-T84 VanDerWaalsContact O-N 3.08Å
85E30Very low42Very low120 Ų120112.2 Ų112.256%0.56158%0.582SS**  trans-109.2111.1149.2-62.3-65.5155.300102.8C83 H87C83-E85 HydrophobicContact CB-CB 4.29Å; C83-E85 HydrophobicContact CB-CG 3.77Å; C83-E85 PolarHBondContact O-N 3.01Å; E85-H87 PolarHBondContact O-N 3.29Å
86P32.1Very low40.6Very low117 Ų117112.6 Ų112.676%0.7658%0.58SS**  trans-65.8106.3174.228.1-31.4000107
87H31.9Very low39Very low146 Ų146120.6 Ų120.668%0.67662%0.617SS**  trans-120.252.1170.1-154-43.6000110.3E85 K89E85-H87 PolarHBondContact O-N 3.29Å; H87-K89 PolarHBondContact O-N 2.88Å; H87-K89 VanDerWaalsContact O-N 3.1Å
88D31.7Very low37.6Very low144 Ų144128 Ų12877%0.7765%0.65SS**  trans-55.1113.9159.1-71.4-68.4000109K90D88-K90 PolarHBondContact O-N 3.44Å
89K35.2Very low36Very low180 Ų180136.2 Ų136.278%0.78369%0.693SS**  trans-93.278.1159.6-77.7-165.1175.2-1720108.5H87H87-K89 PolarHBondContact O-N 2.88Å; H87-K89 VanDerWaalsContact O-N 3.1Å
90K30.2Very low35.1Very low190 Ų190136.2 Ų136.283%0.82669%0.694SS**  trans-138.5131.5150.6-68.1-166.8178.1-179.20107.8D88 D92D88-K90 PolarHBondContact O-N 3.44Å; K90-D92 PolarHBondContact O-N 3.44Å
91E43.5Very low34.1Very low193 Ų193139.1 Ų139.190%0.90272%0.717SS**  trans-62.9123.3169-59.8155.112400107.7
92D27.8Very low33.5Very low151 Ų151143.5 Ų143.581%0.80775%0.749SS**  trans-171174.9133.9-129.4-49.5000112K90K90-D92 PolarHBondContact O-N 3.44Å
93L32.9Very low33.2Very low153 Ų153142 Ų14280%0.80175%0.748SS**  trans-85.6150.7-164.2-63.2149000114.8
94E31.8Very low33.8Very low170 Ų170148.2 Ų148.279%0.79478%0.778SS**  trans-12.2162.1141.2-93.9-94.1103.900118.2
95P38.1Very low34.4Very low98 Ų98147.1 Ų147.164%0.63677%0.774SS**  cis-150.5-174.220.331.2-4.2000119.6
96Q27.4Very low35.1Very low151 Ų151147 Ų14771%0.70678%0.783SS**  trans96.5106.3145.4-62.2-148.8-85.300124
97E28Very low35.7Very low169 Ų169147.1 Ų147.179%0.7978%0.784SS**  68.8154.2125.2-87.6174.398.700125.1
98Q29.6Very low35.6Very low183 Ų183146.6 Ų146.686%0.85579%0.791SS**  trans-110.6168.3-161.2-56.4166.8-104.800112.8
99L27.8Very low35.8Very low171 Ų171144 Ų14490%0.89578%0.784SS**  trans-160.9162.4133.3-94.9176.5000109.3
100P42.3Very low35.7Very low105 Ų105143.6 Ų143.668%0.68279%0.785SS**  trans-121.3172.9-14343.6-36.7000117.5
101P33.9Very low35.8Very low121 Ų121141.5 Ų141.579%0.78679%0.787SS**PPolyproline II helixtrans-100.5167.1164.35.117.3000114.7
102P41.2Very low35.3Very low121 Ų121139.8 Ų139.879%0.78678%0.784SS**PPolyproline II helixtrans-91.4173.6-159.137.3-38.5000116.5
103P38.2Very low35.7Very low126 Ų126137.4 Ų137.482%0.81879%0.786SS**PPolyproline II helixtrans-87.6161-162.134.4-36.8000116.7
104L45.6Very low35.7Very low168 Ų168134.2 Ų134.288%0.8878%0.782SS**PPolyproline II helixtrans-78.4148.4174.6-72.8154.2000112.9
105P43Very low35.9Very low113 Ų113134.2 Ų134.273%0.73479%0.785SS**PPolyproline II helixtrans-79160.3168.132.2-33.4000113.4
106P44.9Very low35.9Very low116 Ų116133.2 Ų133.275%0.75379%0.793SS**PPolyproline II helixtrans-91169.3-160.536.2-38.3000116.1
107P44.5Very low36.3Very low120 Ų120133.6 Ų133.678%0.77980%0.799SS**PPolyproline II helixtrans-88.8157.3-179.836.5-36000114.1
108V30.2Very low36.7Very low135 Ų135132 Ų13282%0.81880%0.795SS**  trans-141.195.3168.8-163.10000106.5
109S36.3Very low37.3Very low90 Ų90130.7 Ų130.763%0.62979%0.791SS**  71.9105.695-62.30000115.7
110Q32.5Very low38.2Very low171 Ų171127.3 Ų127.380%0.79978%0.779SS**  69.5128.3129.7-62.3174.83.600120.8
111V33Very low38.6Very low146 Ų146127.4 Ų127.489%0.88578%0.78SS**  -161.3157.4115.3-91.40000110
112D32.5Very low38.5Very low157 Ų157129.5 Ų129.584%0.8478%0.784SS**  trans-89.4170.9-155.4-67.8-80.9000118
113A36.7Very low38.4Very low102 Ų102132.4 Ų132.484%0.84379%0.787SS**  trans-81.7150.9178.700000113.7
114A33.2Very low38.6Very low86 Ų86132.8 Ų132.871%0.71179%0.787SS**  trans-149.6111.3158.600000113.3
115I36.1Very low38.5Very low169 Ų169130.2 Ų130.287%0.86778%0.781SS**  trans60.8117.3133.5-54.7164.6000118.8
116G36.4Very low38.5Very low78 Ų78131.5 Ų131.580%0.80479%0.786SS**  trans-173.697.9168.700000114.9
117L35.7Very low38.7Very low158 Ų158132.4 Ų132.483%0.82779%0.785SS**  trans-95163.4-175.7-62.6170.3000111.3
118L37.5Very low38.6Very low135 Ų135134.8 Ų134.871%0.70779%0.79SS**  cis-163.3133.93.2-130.2168.6000111.1
119M41.1Very low39.1Very low156 Ų156131.9 Ų131.977%0.76878%0.776SS**  trans59173.8155.9-90.7-157.7113.100121
120P47.6Very low39.8Very low100 Ų100132.9 Ų132.965%0.64978%0.778SS**  cis-125169.7-13.830.2-10.9000114.9
121P51.6Low39.9Very low107 Ų107133.2 Ų133.270%0.69578%0.777SS**  trans-88.9139.4174.135-31.6000112.6
122L30.8Very low41Very low166 Ų166130.7 Ų130.787%0.86976%0.764SS**  trans-130.7139.8170.2-76.6176000113.8
123Q38.1Very low41.3Very low181 Ų181128.9 Ų128.985%0.84676%0.755SS**  trans-74.5150.2-165.8-59.7156.826.600112.3
124T42.4Very low42.5Very low134 Ų134130.3 Ų130.382%0.82274%0.744SS**  trans-64.9148.3165.4510000111.3
125P43.9Very low43.4Very low115 Ų115132.9 Ų132.975%0.74775%0.746SS**  -139.2137112.921.3-1.4000115.6
126V44Very low44.1Very low139 Ų139131.6 Ų131.684%0.84273%0.731SS**  trans33.488.3140.9-156.20000119
127N47.6Very low45Very low136 Ų136131.2 Ų131.273%0.72771%0.713SS**  trans-145.983.8139.4-155.2-83000110.9S129N127-S129 PolarHBondContact O-N 2.95Å; N127-S129 WeakPolarHBondContact OD1-CB 3.3Å; N127-S129 PolarHBondContact OD1-OG 3.4Å
128L43.8Very low46Very low169 Ų169128.6 Ų128.689%0.88570%0.703SS**  trans-81.566.8174.4-173.764.1000109.8V130L128-V130 VanDerWaalsContact C-N 3.29Å; L128-V130 PolarHBondContact O-N 2.88Å
129S39.3Very low46.9Very low75 Ų75128.8 Ų128.852%0.52470%0.7SS.*  trans-75.285.1170.245.50000110.3N127 F131N127-S129 PolarHBondContact O-N 2.95Å; N127-S129 WeakPolarHBondContact OD1-CB 3.3Å; N127-S129 PolarHBondContact OD1-OG 3.4Å; S129-F131 PolarHBondContact O-N 3.27Å; S129-F131 VanDerWaalsContact O-N 3.08Å
130V51.7Low48.1Very low111 Ų111123.3 Ų123.367%0.67367%0.674SS**  trans27.772.4145.9-1650000116L128 C132L128-V130 VanDerWaalsContact C-N 3.29Å; L128-V130 PolarHBondContact O-N 2.88Å; V130-C132 HydrophobicContact CG1-CB 3.83Å; V130-C132 PolarHBondContact O-N 3.12Å
131F35.2Very low49.5Very low178 Ų178120.1 Ų120.178%0.78165%0.653SS**  trans-85.167.3153.1-85.4-84.2000109.9S129 D133S129-F131 PolarHBondContact O-N 3.27Å; S129-F131 VanDerWaalsContact O-N 3.08Å; F131-D133 PolarHBondContact O-N 3.49Å; F131-D133 VanDerWaalsContact O-N 3.13Å
132C56Low51.1Low92 Ų92120.5 Ų120.562%0.62265%0.647SS**  trans-79.639.5163.8-75.80000111.3V130 H134V130-C132 HydrophobicContact CG1-CB 3.83Å; V130-C132 PolarHBondContact O-N 3.12Å; C132-H134 PolarHBondContact O-N 3.38Å; C132-H134 PolarHBondContact O-ND1 2.86Å; C132-H134 VanDerWaalsContact O-ND1 3.07Å
133D39.2Very low53.7Low119 Ų119118.8 Ų118.864%0.63663%0.634SS**  trans-7085.8174.9-89.2-14.2000109.8F131 N135F131-D133 PolarHBondContact O-N 3.49Å; F131-D133 VanDerWaalsContact O-N 3.13Å; D133-N135 PolarHBondContact O-N 3.2Å; D133-N135 VanDerWaalsContact O-N 3.14Å
134H62.1Low55.8Low133 Ų133114.2 Ų114.262%0.61661%0.613SS**  trans-46.8117.3150.6-71.464.3000106.8C132 Y136C132-H134 PolarHBondContact O-N 3.38Å; C132-H134 PolarHBondContact O-ND1 2.86Å; C132-H134 VanDerWaalsContact O-ND1 3.07Å; H134-Y136 HydrophobicContact CB-CD2 3.55Å; H134-Y136 HydrophobicContact CB-CE2 3.36Å; H134-Y136 PolarHBondContact O-N 2.88Å
135N50.7Low58.1Low140 Ų140115.2 Ų115.275%0.74960%0.602SS**  trans-77.264.8-175.9-137.2-103.2000110.1D133 T137D133-N135 PolarHBondContact O-N 3.2Å; D133-N135 VanDerWaalsContact O-N 3.14Å; N135-T137 PolarHBondContact O-N 3.24Å
136Y51.6Low60.3Low142 Ų142117.2 Ų117.256%0.55760%0.598SS**  trans-71.279.3163.3-64.6-74.4000107.6H134 V138 T141H134-Y136 HydrophobicContact CB-CD2 3.55Å; H134-Y136 HydrophobicContact CB-CE2 3.36Å; H134-Y136 PolarHBondContact O-N 2.88Å; Y136-V138 PolarHBondContact O-N 2.82Å; Y136-T141 HydrophobicContact CD1-CG2 4.28Å
137T55.4Low62.7Low70 Ų70115.8 Ų115.843%0.42958%0.578SS.*  trans-58140.3158.760.50000107.3N135 E139 D140N135-T137 PolarHBondContact O-N 3.24Å; T137-E139 PolarHBondContact O-N 3.12Å; T137-D140 PolarHBondContact O-N 2.96Å
138V56.5Low64.9Low103 Ų103113.5 Ų113.562%0.62457%0.565SS**Hα-helixtrans-52.2-34.4-174.4175.40000111.2Y136 T141 M142Y136-V138 PolarHBondContact O-N 2.82Å; V138-T141 PolarHBondContact O-N 3.35Å; V138-T141 PolarHBondContact O-OG1 3.37Å; V138-M142 HydrophobicContact CG1-CE 4.13Å; V138-M142 WeakPolarHBondContact O-CG 3.32Å; V138-M142 PolarHBondContact O-N 2.72Å; V138-M142 VanDerWaalsContact O-N 3.15Å
139E56.7Low67.5Low138 Ų138110.3 Ų110.365%0.64555%0.545SS*.Hα-helixtrans-55.8-44.8173.2-60179161.400114.3T137 T141 M142 H143T137-E139 PolarHBondContact O-N 3.12Å; E139-T141 VanDerWaalsContact C-N 3.29Å; E139-T141 PolarHBondContact O-N 3.45Å; E139-M142 WeakPolarHBondContact O-CB 3.47Å; E139-M142 PolarHBondContact O-N 3.42Å; E139-M142 VanDerWaalsContact O-N 3.14Å; E139-H143 PolarHBondContact O-N 3.44Å; E139-H143 PolarHBondContact O-ND1 3.21Å
140D66Low70.2Confident41 Ų41112 Ų11222%0.21955%0.545CS..Hα-helixtrans-66.3-35.6-179.7-16374.3000110.1K70 T137 M142 H143 Q144K70-D140 IonicContact NZ-OD1 2.94Å; K70-D140 PolarHBondContact NZ-OD1 3.21Å; T137-D140 PolarHBondContact O-N 2.96Å; D140-M142 VanDerWaalsContact C-N 3.32Å; D140-M142 PolarHBondContact O-N 3.48Å; D140-H143 PolarHBondContact O-N 3.25Å; D140-Q144 WeakPolarHBondContact O-CB 3.4Å; D140-Q144 VanDerWaalsContact O-CG 3.23Å; D140-Q144 WeakPolarHBondContact O-CG 3.35Å; D140-Q144 PolarHBondContact O-N 3.15Å; D140-Q144 PolarHBondContact OD2-NE2 3.29Å
141T77.8Confident72.4Confident34 Ų34110.9 Ų110.921%0.20954%0.535CS..Hα-helixtrans-66.9-30.2173.983.60000113.3Y136 V138 E139 R145Y136-T141 HydrophobicContact CD1-CG2 4.28Å; V138-T141 PolarHBondContact O-N 3.35Å; V138-T141 PolarHBondContact O-OG1 3.37Å; E139-T141 VanDerWaalsContact C-N 3.29Å; E139-T141 PolarHBondContact O-N 3.45Å; T141-R145 WeakPolarHBondContact O-CB 3.38Å; T141-R145 WeakPolarHBondContact O-CG 3.1Å; T141-R145 PolarHBondContact O-N 3.1Å; T141-R145 VanDerWaalsContact O-N 3.09Å; T141-R145 PolarHBondContact O-NE 3.34Å; T141-R145 PolarHBondContact OG1-NH2 3.49Å
142M84Confident75.3Confident115 Ų115107.7 Ų107.757%0.56752%0.522SS*.Hα-helixtrans-71.8-45.3175.2-65.1-91.7-167.600110.3V138 E139 D140 R145 K146V138-M142 HydrophobicContact CG1-CE 4.13Å; V138-M142 WeakPolarHBondContact O-CG 3.32Å; V138-M142 PolarHBondContact O-N 2.72Å; V138-M142 VanDerWaalsContact O-N 3.15Å; E139-M142 WeakPolarHBondContact O-CB 3.47Å; E139-M142 PolarHBondContact O-N 3.42Å; E139-M142 VanDerWaalsContact O-N 3.14Å; D140-M142 VanDerWaalsContact C-N 3.32Å; D140-M142 PolarHBondContact O-N 3.48Å; M142-R145 PolarHBondContact O-N 2.84Å; M142-K146 WeakPolarHBondContact O-CB 3.35Å; M142-K146 PolarHBondContact O-N 3.3Å
143H85.8Confident77.3Confident129 Ų129108.4 Ų108.460%0.59752%0.516SS*.Hα-helixtrans-64.7-42.1177-72.988.5000112.1E139 D140 K146 R147E139-H143 PolarHBondContact O-N 3.44Å; E139-H143 PolarHBondContact O-ND1 3.21Å; D140-H143 PolarHBondContact O-N 3.25Å; H143-K146 PolarHBondContact O-N 3.25Å; H143-R147 WeakPolarHBondContact O-CB 3.39Å; H143-R147 PolarHBondContact O-N 3.03Å
144Q82.9Confident80.1Confident86 Ų86107.9 Ų107.940%0.40251%0.51SS..Hα-helixtrans-60.6-48.8173.7-72.1179.41800111.4D140 K146 R147 I148D140-Q144 WeakPolarHBondContact O-CB 3.4Å; D140-Q144 VanDerWaalsContact O-CG 3.23Å; D140-Q144 WeakPolarHBondContact O-CG 3.35Å; D140-Q144 PolarHBondContact O-N 3.15Å; D140-Q144 PolarHBondContact OD2-NE2 3.29Å; Q144-K146 PolarHBondContact O-N 2.82Å; Q144-R147 PolarHBondContact O-N 3.41Å; Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 3.49Å
145R88.9Confident81.9Confident155 Ų155104.7 Ų104.759%0.58550%0.5SS*.Hα-helixtrans-59.8-43.7176-82.2-178.2-86-164.8-6.2112.9T141 M142 R147 I148 H149T141-R145 WeakPolarHBondContact O-CB 3.38Å; T141-R145 WeakPolarHBondContact O-CG 3.1Å; T141-R145 PolarHBondContact O-N 3.1Å; T141-R145 VanDerWaalsContact O-N 3.09Å; T141-R145 PolarHBondContact O-NE 3.34Å; T141-R145 PolarHBondContact OG1-NH2 3.49Å; M142-R145 PolarHBondContact O-N 2.84Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.06Å; R145-I148 PolarHBondContact O-N 3.25Å; R145-H149 PolarHBondContact O-N 3.17Å
146K91.9Very high84.1Confident156 Ų156102.8 Ų102.868%0.67849%0.486SS*.Hα-helixtrans-60.7-41.1175.2-173.2173.3-178.4177.10111.8M142 H143 Q144 Q150M142-K146 WeakPolarHBondContact O-CB 3.35Å; M142-K146 PolarHBondContact O-N 3.3Å; H143-K146 PolarHBondContact O-N 3.25Å; Q144-K146 PolarHBondContact O-N 2.82Å; K146-Q150 WeakPolarHBondContact O-CB 3.42Å; K146-Q150 PolarHBondContact O-N 3.08Å
147R93Very high86.4Confident109 Ų109102.6 Ų102.641%0.41149%0.488SS..Hα-helixtrans-66.6-42.4176.2-170.6179.9-174-141.47.8112.2E66 N68 H143 Q144 R145 Q150 L151E66-R147 PolarHBondContact O-NH1 2.86Å; E66-R147 VanDerWaalsContact O-NH1 3.13Å; N68-R147 PolarHBondContact OD1-NH2 3.37Å; H143-R147 WeakPolarHBondContact O-CB 3.39Å; H143-R147 PolarHBondContact O-N 3.03Å; Q144-R147 PolarHBondContact O-N 3.41Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.06Å; R147-Q150 PolarHBondContact O-N 2.96Å; R147-L151 HydrophobicContact CG-CD1 4.31Å; R147-L151 VanDerWaalsContact O-CG 3.32Å; R147-L151 WeakPolarHBondContact O-CG 3.35Å; R147-L151 PolarHBondContact O-N 3.19Å
148I94.6Very high88.4Confident89 Ų89104.5 Ų104.546%0.45650%0.495SS..Hα-helixtrans-57.5-53.1174.8-69.9163000109.6Q144 R145 Q150 L151 E152Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 3.49Å; R145-I148 PolarHBondContact O-N 3.25Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 2.87Å; I148-L151 WeakPolarHBondContact O-CB 3.48Å; I148-L151 PolarHBondContact O-N 2.89Å; I148-E152 HydrophobicContact CG2-CG 4.39Å; I148-E152 WeakPolarHBondContact O-CG 3.41Å; I148-E152 PolarHBondContact O-N 3.4Å
149H97.2Very high90.4Very high101 Ų101107.8 Ų107.847%0.46850%0.497SS..Hα-helixtrans-59.1-39.9179.3-171.159.9000113R145 L151 E152 Q153R145-H149 PolarHBondContact O-N 3.17Å; H149-L151 VanDerWaalsContact C-N 3.35Å; H149-L151 PolarHBondContact O-N 3.48Å; H149-E152 WeakPolarHBondContact CA-OE2 3.2Å; H149-E152 IonicContact ND1-OE2 3.61Å; H149-E152 PolarHBondContact O-N 3.08Å; H149-Q153 PolarHBondContact CD2-NE2 2.93Å; H149-Q153 PolarHBondContact NE2-NE2 3.37Å; H149-Q153 WeakPolarHBondContact O-CG 3.31Å; H149-Q153 PolarHBondContact O-N 2.61Å
150Q97.3Very high92.3Very high110 Ų110106.9 Ų106.951%0.51449%0.491SS..Hα-helixtrans-66.9-34.9177.2-162.5173.430.300112.5K146 R147 I148 Q154K146-Q150 WeakPolarHBondContact O-CB 3.42Å; K146-Q150 PolarHBondContact O-N 3.08Å; R147-Q150 PolarHBondContact O-N 2.96Å; I148-Q150 VanDerWaalsContact C-N 3.29Å; I148-Q150 PolarHBondContact O-N 2.87Å; Q150-Q154 WeakPolarHBondContact O-CG 3.22Å; Q150-Q154 PolarHBondContact O-N 3.23Å
151L96.9Very high93.9Very high88 Ų88111.4 Ų111.446%0.46151%0.508SS..Hα-helixtrans-70.6-40.9173.1-71171.7000111.9R147 I148 H149 Q153 Q154 V155R147-L151 HydrophobicContact CG-CD1 4.31Å; R147-L151 VanDerWaalsContact O-CG 3.32Å; R147-L151 WeakPolarHBondContact O-CG 3.35Å; R147-L151 PolarHBondContact O-N 3.19Å; I148-L151 WeakPolarHBondContact O-CB 3.48Å; I148-L151 PolarHBondContact O-N 2.89Å; H149-L151 VanDerWaalsContact C-N 3.35Å; H149-L151 PolarHBondContact O-N 3.48Å; L151-Q153 PolarHBondContact O-N 3.47Å; L151-Q154 PolarHBondContact O-N 2.89Å; L151-Q154 VanDerWaalsContact O-N 3.17Å; L151-V155 WeakPolarHBondContact O-CG2 3.35Å; L151-V155 PolarHBondContact O-N 3.45Å
152E97.5Very high94.9Very high111 Ų111114.4 Ų114.452%0.51952%0.523SS..Hα-helixtrans-57.4-48.1174.6-70.6170160.900111.3I148 H149 Q154 V155 E156I148-E152 HydrophobicContact CG2-CG 4.39Å; I148-E152 WeakPolarHBondContact O-CG 3.41Å; I148-E152 PolarHBondContact O-N 3.4Å; H149-E152 WeakPolarHBondContact CA-OE2 3.2Å; H149-E152 IonicContact ND1-OE2 3.61Å; H149-E152 PolarHBondContact O-N 3.08Å; E152-Q154 VanDerWaalsContact C-N 3.33Å; E152-Q154 PolarHBondContact O-N 3.15Å; E152-V155 PolarHBondContact O-N 3.01Å; E152-E156 PolarHBondContact O-N 3.04Å
153Q98.2Very high95.5Very high107 Ų107116.3 Ų116.350%0.553%0.528SS..Hα-helixtrans-58.9-41174.7-71.1-178.46.100112.5H149 L151 E156 K157H149-Q153 PolarHBondContact CD2-NE2 2.93Å; H149-Q153 PolarHBondContact NE2-NE2 3.37Å; H149-Q153 WeakPolarHBondContact O-CG 3.31Å; H149-Q153 PolarHBondContact O-N 2.61Å; L151-Q153 PolarHBondContact O-N 3.47Å; Q153-E156 PolarHBondContact O-N 3.29Å; Q153-K157 VanDerWaalsContact O-CB 3.31Å; Q153-K157 WeakPolarHBondContact O-CB 3.11Å; Q153-K157 PolarHBondContact O-N 3.03Å
154Q97.9Very high96.1Very high108 Ų108114.7 Ų114.751%0.50553%0.527SS..Hα-helixtrans-65.9-44.4176.4-74.9-175.214.800111.9Q150 L151 E152 E156 K157 L158Q150-Q154 WeakPolarHBondContact O-CG 3.22Å; Q150-Q154 PolarHBondContact O-N 3.23Å; L151-Q154 PolarHBondContact O-N 2.89Å; L151-Q154 VanDerWaalsContact O-N 3.17Å; E152-Q154 VanDerWaalsContact C-N 3.33Å; E152-Q154 PolarHBondContact O-N 3.15Å; Q154-E156 VanDerWaalsContact C-N 3.32Å; Q154-E156 PolarHBondContact O-N 3.23Å; Q154-K157 PolarHBondContact O-N 2.97Å; Q154-L158 WeakPolarHBondContact O-CB 3.5Å; Q154-L158 VanDerWaalsContact O-CG 3.3Å; Q154-L158 WeakPolarHBondContact O-CG 3.43Å; Q154-L158 PolarHBondContact O-N 3.42Å
155V98.3Very high96.8Very high67 Ų67113.4 Ų113.441%0.40653%0.531SS..Hα-helixtrans-60.1-43.1175.8169.10000110.7L151 E152 L158 R159L151-V155 WeakPolarHBondContact O-CG2 3.35Å; L151-V155 PolarHBondContact O-N 3.45Å; E152-V155 PolarHBondContact O-N 3.01Å; V155-L158 PolarHBondContact O-N 3.46Å; V155-R159 HydrophobicContact CG1-CG 4.44Å; V155-R159 WeakPolarHBondContact O-CB 3.48Å; V155-R159 VanDerWaalsContact O-CG 3.26Å; V155-R159 WeakPolarHBondContact O-CG 3.42Å; V155-R159 PolarHBondContact O-N 2.91Å
156E98.4Very high97.2Very high99 Ų99110.8 Ų110.846%0.46353%0.525SS..Hα-helixtrans-65-44177.1-155.6-153.316000112E152 Q153 Q154 L158 R159 K160E152-E156 PolarHBondContact O-N 3.04Å; Q153-E156 PolarHBondContact O-N 3.29Å; Q154-E156 VanDerWaalsContact C-N 3.32Å; Q154-E156 PolarHBondContact O-N 3.23Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.7Å; E156-R159 PolarHBondContact O-N 3.47Å; E156-K160 WeakPolarHBondContact O-CB 3.31Å; E156-K160 WeakPolarHBondContact O-CG 3.25Å; E156-K160 PolarHBondContact O-N 2.75Å; E156-K160 WeakPolarHBondContact OE1-CE 3.43Å; E156-K160 IonicContact OE1-NZ 2.87Å; E156-K160 PolarHBondContact OE1-NZ 2.82Å; E156-K160 IonicContact OE2-NZ 2.61Å
157K98.3Very high97.5Very high138 Ų138108.3 Ų108.360%0.652%0.516SS*.Hα-helixtrans-60.8-41.1175.9-172.5174.4-174.3173.10111.9Q153 Q154 K161Q153-K157 VanDerWaalsContact O-CB 3.31Å; Q153-K157 WeakPolarHBondContact O-CB 3.11Å; Q153-K157 PolarHBondContact O-N 3.03Å; Q154-K157 PolarHBondContact O-N 2.97Å; K157-K161 WeakPolarHBondContact O-CG 3.06Å; K157-K161 PolarHBondContact O-N 3.37Å
158L98Very high97.7Very high110 Ų110111.7 Ų111.758%0.57653%0.529SS*.Hα-helixtrans-68.2-42.9175.6-71.2172.3000111.8Q154 V155 E156 K160 K161 L162Q154-L158 WeakPolarHBondContact O-CB 3.5Å; Q154-L158 VanDerWaalsContact O-CG 3.3Å; Q154-L158 WeakPolarHBondContact O-CG 3.43Å; Q154-L158 PolarHBondContact O-N 3.42Å; V155-L158 PolarHBondContact O-N 3.46Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 2.7Å; L158-K160 VanDerWaalsContact C-N 3.34Å; L158-K160 PolarHBondContact O-N 2.75Å; L158-K161 PolarHBondContact O-N 2.84Å; L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 PolarHBondContact O-N 2.02Å
159R98.1Very high97.9Very high173 Ų173110.2 Ų110.265%0.65353%0.526SS*.Hα-helixtrans-59.4-42.2173.7-75.7171.6174.8-178.6-0.6112V155 E156 L162 K163V155-R159 HydrophobicContact CG1-CG 4.44Å; V155-R159 WeakPolarHBondContact O-CB 3.48Å; V155-R159 VanDerWaalsContact O-CG 3.26Å; V155-R159 WeakPolarHBondContact O-CG 3.42Å; V155-R159 PolarHBondContact O-N 2.91Å; E156-R159 PolarHBondContact O-N 3.47Å; R159-L162 PolarHBondContact O-N 3.48Å; R159-K163 PolarHBondContact O-N 3.47Å
160K98.3Very high97.9Very high119 Ų119113.7 Ų113.752%0.51754%0.535SS..Hα-helixtrans-61.2-50.5174.1-78.9167.4166.3164.90111.3E156 L158 L162 K163 T164E156-K160 WeakPolarHBondContact O-CB 3.31Å; E156-K160 WeakPolarHBondContact O-CG 3.25Å; E156-K160 PolarHBondContact O-N 2.75Å; E156-K160 WeakPolarHBondContact OE1-CE 3.43Å; E156-K160 IonicContact OE1-NZ 2.87Å; E156-K160 PolarHBondContact OE1-NZ 2.82Å; E156-K160 IonicContact OE2-NZ 2.61Å; L158-K160 VanDerWaalsContact C-N 3.34Å; L158-K160 PolarHBondContact O-N 2.75Å; K160-L162 PolarHBondContact O-N 2.93Å; K160-K163 PolarHBondContact O-N 3.12Å; K160-T164 PolarHBondContact O-N 3Å; K160-T164 VanDerWaalsContact O-N 3.12Å; K160-T164 PolarHBondContact O-OG1 3.07Å
161K98.2Very high97.9Very high135 Ų135115.8 Ų115.859%0.58754%0.539SS*.Hα-helixtrans-56.3-45.5175-77.2-174.4173.4-167.30112.7K157 L158 T164 A165K157-K161 WeakPolarHBondContact O-CG 3.06Å; K157-K161 PolarHBondContact O-N 3.37Å; L158-K161 PolarHBondContact O-N 2.84Å; K161-T164 PolarHBondContact O-N 3.14Å; K161-A165 WeakPolarHBondContact O-CB 3.4Å; K161-A165 PolarHBondContact O-N 2.94Å
162L98.2Very high97.9Very high98 Ų98116.4 Ų116.451%0.51354%0.539SS..Hα-helixtrans-60.1-46.7179.3-18063000111.4L158 R159 K160 T164 A165 Q166L158-L162 WeakPolarHBondContact O-CB 3.12Å; L158-L162 PolarHBondContact O-N 2.02Å; R159-L162 PolarHBondContact O-N 3.48Å; K160-L162 PolarHBondContact O-N 2.93Å; L162-T164 PolarHBondContact O-N 2.42Å; L162-A165 PolarHBondContact O-N 3.48Å; L162-Q166 HydrophobicContact CD1-CG 4.17Å; L162-Q166 HydrophobicContact CG-CG 4.4Å; L162-Q166 WeakPolarHBondContact O-CB 3.22Å; L162-Q166 VanDerWaalsContact O-CG 3.28Å; L162-Q166 WeakPolarHBondContact O-CG 3.48Å; L162-Q166 PolarHBondContact O-N 3.13Å
163K98.3Very high97.9Very high154 Ų154116 Ų11667%0.6754%0.537SS*.Hα-helixtrans-58.5-45.3176-76.7-174.8174.5-173.20112.2R159 K160 Q166 Q167R159-K163 PolarHBondContact O-N 3.47Å; K160-K163 PolarHBondContact O-N 3.12Å; K163-Q166 PolarHBondContact O-N 3.32Å; K163-Q167 WeakPolarHBondContact O-CB 3.41Å; K163-Q167 PolarHBondContact O-N 2.87Å
164T97.6Very high97.9Very high95 Ų95119.8 Ų119.858%0.58355%0.547SS*.Hα-helixtrans-64.5-42.5177.9-52.60000112K160 K161 L162 Q167 R168K160-T164 PolarHBondContact O-N 3Å; K160-T164 VanDerWaalsContact O-N 3.12Å; K160-T164 PolarHBondContact O-OG1 3.07Å; K161-T164 PolarHBondContact O-N 3.14Å; L162-T164 PolarHBondContact O-N 2.42Å; T164-Q167 PolarHBondContact O-N 2.87Å; T164-R168 PolarHBondContact O-N 3.29Å
165A97.8Very high97.9Very high59 Ų59120.7 Ų120.749%0.48855%0.551SS.*Hα-helixtrans-63.8-46.3176.700000111.9K161 L162 Q167 R168 C169K161-A165 WeakPolarHBondContact O-CB 3.4Å; K161-A165 PolarHBondContact O-N 2.94Å; L162-A165 PolarHBondContact O-N 3.48Å; A165-Q167 VanDerWaalsContact C-N 3.33Å; A165-Q167 PolarHBondContact O-N 3.12Å; A165-R168 WeakPolarHBondContact O-CB 3.37Å; A165-R168 PolarHBondContact O-N 2.89Å; A165-R168 VanDerWaalsContact O-N 3.13Å; A165-C169 PolarHBondContact O-N 2.94Å
166Q98Very high97.8Very high100 Ų100122.4 Ų122.447%0.46756%0.557SS.*Hα-helixtrans-59-41.7174.4-74.8173.9-2100112L162 K163 R168 C169 R170L162-Q166 HydrophobicContact CD1-CG 4.17Å; L162-Q166 HydrophobicContact CG-CG 4.4Å; L162-Q166 WeakPolarHBondContact O-CB 3.22Å; L162-Q166 VanDerWaalsContact O-CG 3.28Å; L162-Q166 WeakPolarHBondContact O-CG 3.48Å; L162-Q166 PolarHBondContact O-N 3.13Å; K163-Q166 PolarHBondContact O-N 3.32Å; Q166-R168 VanDerWaalsContact C-N 3.33Å; Q166-R168 PolarHBondContact O-N 3.3Å; Q166-C169 PolarHBondContact O-N 3.43Å; Q166-R170 WeakPolarHBondContact O-CG 3.5Å; Q166-R170 PolarHBondContact O-N 3.01Å
167Q97.8Very high97.8Very high105 Ų105122.1 Ų122.149%0.49156%0.556SS.*Hα-helixtrans-66.1-35.6176.2-166-175.514.200112K163 T164 A165 R171K163-Q167 WeakPolarHBondContact O-CB 3.41Å; K163-Q167 PolarHBondContact O-N 2.87Å; T164-Q167 PolarHBondContact O-N 2.87Å; A165-Q167 VanDerWaalsContact C-N 3.33Å; A165-Q167 PolarHBondContact O-N 3.12Å; Q167-R171 VanDerWaalsContact NE2-NH2 3.18Å; Q167-R171 WeakPolarHBondContact O-CG 3.39Å; Q167-R171 PolarHBondContact O-N 3.43Å
168R97.8Very high97.7Very high179 Ų179122.2 Ų122.268%0.67556%0.557SS**Hα-helixtrans-66.3-45.4174.6-163.8178.5-172.21802.1111.2T164 A165 Q166 R170 R171 Q172T164-R168 PolarHBondContact O-N 3.29Å; A165-R168 WeakPolarHBondContact O-CB 3.37Å; A165-R168 PolarHBondContact O-N 2.89Å; A165-R168 VanDerWaalsContact O-N 3.13Å; Q166-R168 VanDerWaalsContact C-N 3.33Å; Q166-R168 PolarHBondContact O-N 3.3Å; R168-R170 PolarHBondContact O-N 2.88Å; R168-R171 WeakPolarHBondContact O-CB 3.41Å; R168-R171 PolarHBondContact O-N 3.34Å; R168-R171 VanDerWaalsContact O-N 3.12Å; R168-Q172 PolarHBondContact O-N 3.36Å
169C97.8Very high97.6Very high59 Ų59122.2 Ų122.240%0.39956%0.556SS.*Hα-helixtrans-55.5-52.4174.9-158.60000111.2A165 Q166 R171 Q172 E173A165-C169 PolarHBondContact O-N 2.94Å; Q166-C169 PolarHBondContact O-N 3.43Å; C169-R171 PolarHBondContact O-N 2.98Å; C169-R171 VanDerWaalsContact O-N 3.15Å; C169-Q172 PolarHBondContact O-N 3.38Å; C169-E173 WeakPolarHBondContact O-CG 3.32Å; C169-E173 PolarHBondContact O-N 3.27Å; C169-E173 PolarHBondContact SG-OE1 3.39Å
170R97.8Very high97.5Very high174 Ų174119.5 Ų119.566%0.65755%0.549SS*.Hα-helixtrans-58-29.6176.4-73.1-179.6178.3-156-1.2114.6Q166 R168 E173 R174Q166-R170 WeakPolarHBondContact O-CG 3.5Å; Q166-R170 PolarHBondContact O-N 3.01Å; R168-R170 PolarHBondContact O-N 2.88Å; R170-E173 WeakPolarHBondContact CA-OE2 3.29Å; R170-R174 WeakPolarHBondContact O-CG 3.49Å; R170-R174 PolarHBondContact O-N 2.87Å
171R97.5Very high97.4Very high154 Ų154118.8 Ų118.858%0.58155%0.548SS*.Hα-helixtrans-74.4-41.5174.2-71.8175-168.9-160.26111.2Q167 R168 C169 R174 Q175Q167-R171 VanDerWaalsContact NE2-NH2 3.18Å; Q167-R171 WeakPolarHBondContact O-CG 3.39Å; Q167-R171 PolarHBondContact O-N 3.43Å; R168-R171 WeakPolarHBondContact O-CB 3.41Å; R168-R171 PolarHBondContact O-N 3.34Å; R168-R171 VanDerWaalsContact O-N 3.12Å; C169-R171 PolarHBondContact O-N 2.98Å; C169-R171 VanDerWaalsContact O-N 3.15Å; R171-R174 PolarHBondContact O-N 3.2Å; R171-Q175 WeakPolarHBondContact O-CG 3.39Å; R171-Q175 PolarHBondContact O-N 2.92Å; R171-Q175 VanDerWaalsContact O-N 3.11Å
172Q97.3Very high97.3Very high101 Ų101117 Ų11747%0.47255%0.548SS..Hα-helixtrans-67.2-42.7177.3-68175-72.300111.4R168 C169 R174 Q175 L176R168-Q172 PolarHBondContact O-N 3.36Å; C169-Q172 PolarHBondContact O-N 3.38Å; Q172-R174 VanDerWaalsContact C-N 3.33Å; Q172-R174 PolarHBondContact O-N 3.18Å; Q172-Q175 WeakPolarHBondContact O-CB 3.46Å; Q172-Q175 PolarHBondContact O-N 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.27Å; Q172-L176 PolarHBondContact O-N 3.01Å
173E97.3Very high97.1Very high103 Ų103117 Ų11748%0.48155%0.552SS.*Hα-helixtrans-54.3-46.5172.6-72.3159.8-16900111.7C169 R170 Q175 L176 E177C169-E173 WeakPolarHBondContact O-CG 3.32Å; C169-E173 PolarHBondContact O-N 3.27Å; C169-E173 PolarHBondContact SG-OE1 3.39Å; R170-E173 WeakPolarHBondContact CA-OE2 3.29Å; E173-Q175 VanDerWaalsContact C-N 3.32Å; E173-Q175 PolarHBondContact O-N 3.13Å; E173-L176 PolarHBondContact O-N 3.18Å; E173-E177 PolarHBondContact O-N 3.15Å
174R97.3Very high96.9Very high186 Ų186115 Ų11570%0.70255%0.545SS*.Hα-helixtrans-65.6-30175.4-72.8174.3178-168.9-2.8114R170 R171 Q172 K178R170-R174 WeakPolarHBondContact O-CG 3.49Å; R170-R174 PolarHBondContact O-N 2.87Å; R171-R174 PolarHBondContact O-N 3.2Å; Q172-R174 VanDerWaalsContact C-N 3.33Å; Q172-R174 PolarHBondContact O-N 3.18Å; R174-K178 WeakPolarHBondContact O-CG 3.43Å; R174-K178 PolarHBondContact O-N 2.73Å
175Q97.1Very high96.6Very high126 Ų126117.1 Ų117.159%0.58955%0.546SS*.Hα-helixtrans-73.5-40.9173.7-73.9179-48.700111.1R171 Q172 E173 E177 K178 L179R171-Q175 WeakPolarHBondContact O-CG 3.39Å; R171-Q175 PolarHBondContact O-N 2.92Å; R171-Q175 VanDerWaalsContact O-N 3.11Å; Q172-Q175 WeakPolarHBondContact O-CB 3.46Å; Q172-Q175 PolarHBondContact O-N 3.31Å; E173-Q175 VanDerWaalsContact C-N 3.32Å; E173-Q175 PolarHBondContact O-N 3.13Å; Q175-E177 VanDerWaalsContact C-N 3.34Å; Q175-K178 PolarHBondContact O-N 2.94Å; Q175-L179 WeakPolarHBondContact O-CG 3.44Å; Q175-L179 PolarHBondContact O-N 3.22Å
176L97.4Very high96Very high103 Ų103118.9 Ų118.954%0.53954%0.544SS..Hα-helixtrans-61.3-42.3174.1-69.6171.8000111.2Q172 E173 L179 K180Q172-L176 WeakPolarHBondContact O-CG 3.27Å; Q172-L176 PolarHBondContact O-N 3.01Å; E173-L176 PolarHBondContact O-N 3.18Å; L176-L179 PolarHBondContact O-N 3.2Å; L176-K180 WeakPolarHBondContact O-CG 3.16Å; L176-K180 PolarHBondContact O-N 2.7Å
177E97.3Very high95.5Very high93 Ų93121.6 Ų121.644%0.43555%0.554SS.*Hα-helixtrans-62.7-45.8178.8-147.960.3-148.300112E173 Q175 L179 K180 E181E173-E177 PolarHBondContact O-N 3.15Å; Q175-E177 VanDerWaalsContact C-N 3.34Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 2.87Å; E177-K180 WeakPolarHBondContact O-CB 3.4Å; E177-K180 PolarHBondContact O-N 3.45Å; E177-K180 VanDerWaalsContact O-N 3.12Å; E177-K180 IonicContact OE1-NZ 3.41Å; E177-K180 PolarHBondContact OE1-NZ 2.88Å; E177-K180 IonicContact OE2-NZ 3.91Å; E177-K180 PolarHBondContact OE2-NZ 2.87Å; E177-E181 WeakPolarHBondContact O-CG 3.48Å; E177-E181 PolarHBondContact O-N 2.77Å
178K96.9Very high94.9Very high141 Ų141121.2 Ų121.261%0.61355%0.553SS**Hα-helixtrans-59.7-37.1173.2-72.3-176.6173.9-1580113.3R174 Q175 E181 V182R174-K178 WeakPolarHBondContact O-CG 3.43Å; R174-K178 PolarHBondContact O-N 2.73Å; Q175-K178 PolarHBondContact O-N 2.94Å; K178-E181 PolarHBondContact O-N 3.34Å; K178-V182 WeakPolarHBondContact O-CG2 3.33Å; K178-V182 PolarHBondContact O-N 2.99Å; K178-V182 VanDerWaalsContact O-N 3.14Å
179L96.5Very high94.1Very high109 Ų109119.4 Ų119.457%0.57155%0.55SS*.Hα-helixtrans-69.3-37.3176.3-72.3168.6000111.5Q175 L176 E177 V182 V183Q175-L179 WeakPolarHBondContact O-CG 3.44Å; Q175-L179 PolarHBondContact O-N 3.22Å; L176-L179 PolarHBondContact O-N 3.2Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 2.87Å; L179-V182 PolarHBondContact O-N 3Å; L179-V183 WeakPolarHBondContact O-CG2 3.39Å; L179-V183 PolarHBondContact O-N 3.4Å
180K96.4Very high93Very high117 Ų117120.4 Ų120.451%0.50955%0.551SS.*Hα-helixtrans-63-43.6172.1-66.2171.7-168.5167.60111.8L176 E177 V182 V183 H184L176-K180 WeakPolarHBondContact O-CG 3.16Å; L176-K180 PolarHBondContact O-N 2.7Å; E177-K180 WeakPolarHBondContact O-CB 3.4Å; E177-K180 PolarHBondContact O-N 3.45Å; E177-K180 VanDerWaalsContact O-N 3.12Å; E177-K180 IonicContact OE1-NZ 3.41Å; E177-K180 PolarHBondContact OE1-NZ 2.88Å; E177-K180 IonicContact OE2-NZ 3.91Å; E177-K180 PolarHBondContact OE2-NZ 2.87Å; K180-V182 VanDerWaalsContact C-N 3.34Å; K180-V182 PolarHBondContact O-N 3.18Å; K180-V183 PolarHBondContact O-N 3.14Å; K180-H184 WeakPolarHBondContact O-CB 3.41Å; K180-H184 PolarHBondContact O-N 3.41Å
181E96.2Very high91.8Very high104 Ų104115.9 Ų115.949%0.48654%0.54SS..Hα-helixtrans-55.4-49.4175.5-71.4168.8175.500110.6E177 K178 V183 H184 F185E177-E181 WeakPolarHBondContact O-CG 3.48Å; E177-E181 PolarHBondContact O-N 2.77Å; K178-E181 PolarHBondContact O-N 3.34Å; E181-V183 PolarHBondContact O-N 3.15Å; E181-H184 WeakPolarHBondContact O-CB 3.39Å; E181-H184 PolarHBondContact O-N 2.9Å; E181-H184 VanDerWaalsContact O-N 3.16Å; E181-F185 WeakPolarHBondContact O-CD2 3.23Å; E181-F185 PolarHBondContact O-N 3.09Å
182V95.1Very high90.3Very high96 Ų96113.8 Ų113.858%0.58254%0.544SS*.Hα-helixtrans-61.2-42177.5173.10000112.2K178 L179 K180 H184 F185 Q186K178-V182 WeakPolarHBondContact O-CG2 3.33Å; K178-V182 PolarHBondContact O-N 2.99Å; K178-V182 VanDerWaalsContact O-N 3.14Å; L179-V182 PolarHBondContact O-N 3Å; K180-V182 VanDerWaalsContact C-N 3.34Å; K180-V182 PolarHBondContact O-N 3.18Å; V182-H184 VanDerWaalsContact C-N 3.33Å; V182-H184 PolarHBondContact O-N 3.39Å; V182-F185 PolarHBondContact O-N 3.18Å; V182-Q186 WeakPolarHBondContact O-CB 3.37Å; V182-Q186 PolarHBondContact O-N 3.28Å
183V94.3Very high88.6Confident99 Ų99113.4 Ų113.460%0.655%0.553SS**Hα-helixtrans-65.7-35.6176171.10000111.7L179 K180 E181 K187L179-V183 WeakPolarHBondContact O-CG2 3.39Å; L179-V183 PolarHBondContact O-N 3.4Å; K180-V183 PolarHBondContact O-N 3.14Å; E181-V183 PolarHBondContact O-N 3.15Å; V183-K187 WeakPolarHBondContact O-CB 3.31Å; V183-K187 PolarHBondContact O-N 3.16Å
184H93.6Very high86.7Confident112 Ų112116.6 Ų116.652%0.51957%0.567SS.*Hα-helixtrans-63.9-51.3174.9-167-79.9000111.3K180 E181 V182 Q186 K187 E188K180-H184 WeakPolarHBondContact O-CB 3.41Å; K180-H184 PolarHBondContact O-N 3.41Å; E181-H184 WeakPolarHBondContact O-CB 3.39Å; E181-H184 PolarHBondContact O-N 2.9Å; E181-H184 VanDerWaalsContact O-N 3.16Å; V182-H184 VanDerWaalsContact C-N 3.33Å; V182-H184 PolarHBondContact O-N 3.39Å; H184-Q186 VanDerWaalsContact C-N 3.29Å; H184-Q186 PolarHBondContact O-N 3.4Å; H184-K187 PolarHBondContact O-N 3.3Å; H184-K187 VanDerWaalsContact O-N 3.11Å; H184-E188 IonicContact CE1-OE1 3.48Å; H184-E188 PolarHBondContact CE1-OE1 3.19Å; H184-E188 VanDerWaalsContact CE1-OE1 3.29Å; H184-E188 IonicContact CE1-OE2 3.7Å; H184-E188 PolarHBondContact CE1-OE2 2.98Å; H184-E188 IonicContact ND1-OE1 3.77Å; H184-E188 IonicContact ND1-OE2 2.69Å; H184-E188 PolarHBondContact ND1-OE2 2.88Å; H184-E188 PolarHBondContact O-N 3.21Å
185F90.9Very high85Confident140 Ų140115.1 Ų115.161%0.61456%0.562SS**Hα-helixtrans-59.6-38.5177.2-75.8-61.5000112.7E181 V182 K189E181-F185 WeakPolarHBondContact O-CD2 3.23Å; E181-F185 PolarHBondContact O-N 3.09Å; V182-F185 PolarHBondContact O-N 3.18Å; F185-K189 WeakPolarHBondContact O-CB 3.43Å; F185-K189 PolarHBondContact O-N 2.88Å
186Q85.7Confident82.9Confident96 Ų96111.8 Ų111.845%0.44956%0.562SS.*Hα-helixtrans-64-46174.8-173.260.456.700110.9V182 H184 E188 K189 D190V182-Q186 WeakPolarHBondContact O-CB 3.37Å; V182-Q186 PolarHBondContact O-N 3.28Å; H184-Q186 VanDerWaalsContact C-N 3.29Å; H184-Q186 PolarHBondContact O-N 3.4Å; Q186-E188 PolarHBondContact O-N 2.96Å; Q186-K189 WeakPolarHBondContact O-CB 3.16Å; Q186-K189 PolarHBondContact O-N 3.13Å; Q186-D190 PolarHBondContact NE2-OD1 3.29Å; Q186-D190 PolarHBondContact NE2-OD2 2.98Å; Q186-D190 PolarHBondContact O-N 3.04Å
187K88.3Confident81.2Confident156 Ų156116.4 Ų116.468%0.67857%0.573SS**Hα-helixtrans-63.1-41.1178.6-171.1-178.1178.7-172.80113.1V183 H184 K189 D190 D191V183-K187 WeakPolarHBondContact O-CB 3.31Å; V183-K187 PolarHBondContact O-N 3.16Å; H184-K187 PolarHBondContact O-N 3.3Å; H184-K187 VanDerWaalsContact O-N 3.11Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K187-D190 PolarHBondContact O-N 3.1Å; K187-D191 PolarHBondContact O-N 2.74Å
188E84.1Confident79.3Confident97 Ų97117.9 Ų117.945%0.45359%0.588SS.*Hα-helixtrans-63.9-40.1174.6-73177.6127.100111.7H184 Q186 D190 V192H184-E188 IonicContact CE1-OE1 3.48Å; H184-E188 PolarHBondContact CE1-OE1 3.19Å; H184-E188 VanDerWaalsContact CE1-OE1 3.29Å; H184-E188 IonicContact CE1-OE2 3.7Å; H184-E188 PolarHBondContact CE1-OE2 2.98Å; H184-E188 IonicContact ND1-OE1 3.77Å; H184-E188 IonicContact ND1-OE2 2.69Å; H184-E188 PolarHBondContact ND1-OE2 2.88Å; H184-E188 PolarHBondContact O-N 3.21Å; Q186-E188 PolarHBondContact O-N 2.96Å; E188-D190 VanDerWaalsContact C-N 3.34Å; E188-V192 VanDerWaalsContact O-CG2 3.32Å; E188-V192 WeakPolarHBondContact O-CG2 3.5Å; E188-V192 PolarHBondContact O-N 3Å; E188-V192 VanDerWaalsContact O-N 3.12Å
189K80.7Confident77.7Confident142 Ų142118.7 Ų118.762%0.61760%0.597SS**Hα-helixtrans-65.5-38.4175.6-172.6-177.1176.3-1720112F185 Q186 K187 V192 S193F185-K189 WeakPolarHBondContact O-CB 3.43Å; F185-K189 PolarHBondContact O-N 2.88Å; Q186-K189 WeakPolarHBondContact O-CB 3.16Å; Q186-K189 PolarHBondContact O-N 3.13Å; K187-K189 VanDerWaalsContact C-N 3.34Å; K189-V192 PolarHBondContact O-N 3.46Å; K189-S193 WeakPolarHBondContact O-CB 3.35Å; K189-S193 PolarHBondContact O-N 2.77Å
190D75.6Confident75.8Confident79 Ų79120 Ų12042%0.42260%0.604SS.*Hα-helixtrans-69.9-41178.8-63-22.9000111.2Q186 K187 E188 V192 S193 E194Q186-D190 PolarHBondContact NE2-OD1 3.29Å; Q186-D190 PolarHBondContact NE2-OD2 2.98Å; Q186-D190 PolarHBondContact O-N 3.04Å; K187-D190 PolarHBondContact O-N 3.1Å; E188-D190 VanDerWaalsContact C-N 3.34Å; D190-V192 VanDerWaalsContact C-N 3.35Å; D190-V192 PolarHBondContact O-N 3.3Å; D190-S193 CarbonylContact O-C 3.57Å; D190-S193 PolarHBondContact O-N 2.94Å; D190-S193 VanDerWaalsContact O-N 3.11Å; D190-E194 WeakPolarHBondContact O-CB 3.34Å; D190-E194 PolarHBondContact O-N 2.93Å
191D73.1Confident74.1Confident80 Ų80119.6 Ų119.643%0.42861%0.614SS.*Hα-helixtrans-60.9-40.9173.2-170.4100.2000112.1K187 S193 E194 R195K187-D191 PolarHBondContact O-N 2.74Å; D191-S193 VanDerWaalsContact C-N 3.34Å; D191-E194 PolarHBondContact O-N 2.99Å; D191-R195 WeakPolarHBondContact O-CB 3.47Å; D191-R195 PolarHBondContact O-N 3.27Å; D191-R195 VanDerWaalsContact O-N 3.11Å; D191-R195 IonicContact OD1-NH2 3.29Å; D191-R195 IonicContact OD2-CZ 3.88Å; D191-R195 IonicContact OD2-NE 2.91Å; D191-R195 IonicContact OD2-NH2 3.7Å; D191-R195 PolarHBondContact OD2-NH2 3.14Å
192V65.1Low72.3Confident110 Ų110121.8 Ų121.867%0.66763%0.629SS**Hα-helixtrans-67.6-33.8174.5171.80000111.8E188 K189 D190E188-V192 VanDerWaalsContact O-CG2 3.32Å; E188-V192 WeakPolarHBondContact O-CG2 3.5Å; E188-V192 PolarHBondContact O-N 3Å; E188-V192 VanDerWaalsContact O-N 3.12Å; K189-V192 PolarHBondContact O-N 3.46Å; D190-V192 VanDerWaalsContact C-N 3.35Å; D190-V192 PolarHBondContact O-N 3.3Å
193S62.5Low70.5Confident93 Ų93123.9 Ų123.965%0.6564%0.637SS**Hα-helixtrans-77.4-30.5177.3-166.60000113.2K189 D190 D191 R195K189-S193 WeakPolarHBondContact O-CB 3.35Å; K189-S193 PolarHBondContact O-N 2.77Å; D190-S193 CarbonylContact O-C 3.57Å; D190-S193 PolarHBondContact O-N 2.94Å; D190-S193 VanDerWaalsContact O-N 3.11Å; D191-S193 VanDerWaalsContact C-N 3.34Å; S193-R195 VanDerWaalsContact C-N 3.3Å
194E57.7Low68.7Low169 Ų169129.2 Ų129.279%0.7965%0.648SS**Hα-helixtrans-71.8-29173.6-169.7168.4-162.900110.9D190 D191 G196D190-E194 WeakPolarHBondContact O-CB 3.34Å; D190-E194 PolarHBondContact O-N 2.93Å; D191-E194 PolarHBondContact O-N 2.99Å; E194-G196 PolarHBondContact O-N 3.07Å; E194-G196 VanDerWaalsContact O-N 3.09Å
195R60.1Low66.9Low155 Ų155132.9 Ų132.959%0.58566%0.663SS**THydrogen-bonded Turntrans-8235.3173.2-150.7169.4-59-164.47.2113.9D191 S193 Y197D191-R195 WeakPolarHBondContact O-CB 3.47Å; D191-R195 PolarHBondContact O-N 3.27Å; D191-R195 VanDerWaalsContact O-N 3.11Å; D191-R195 IonicContact OD1-NH2 3.29Å; D191-R195 IonicContact OD2-CZ 3.88Å; D191-R195 IonicContact OD2-NE 2.91Å; D191-R195 IonicContact OD2-NH2 3.7Å; D191-R195 PolarHBondContact OD2-NH2 3.14Å; S193-R195 VanDerWaalsContact C-N 3.3Å; R195-Y197 HydrophobicContact CG-CE1 4.47Å; R195-Y197 PolarHBondContact O-N 2.79Å
196G53.9Low65Low57 Ų57134.8 Ų134.859%0.58867%0.673SS**  trans-71.1116.5177.700000112.7E194E194-G196 PolarHBondContact O-N 3.07Å; E194-G196 VanDerWaalsContact O-N 3.09Å
197Y62.4Low63.6Low200 Ų200137.4 Ų137.478%0.78469%0.689SS**  trans-77.7127.3177.5-41.1-80.8000111.2R195R195-Y197 HydrophobicContact CG-CE1 4.47Å; R195-Y197 PolarHBondContact O-N 2.79Å
198V56.4Low61.5Low123 Ų123135.5 Ų135.575%0.74569%0.69SS**  trans-85.9113.7171.1-178.70000109L200V198-L200 HydrophobicContact CG1-CD2 4.39Å; V198-L200 HydrophobicContact CG1-CG 4.34Å; V198-L200 PolarHBondContact O-N 3.13Å
199I62.4Low59.9Low158 Ų158139.2 Ų139.281%0.8171%0.707SS**  trans-80.1102170.1-58.4175.6000107.6
200L56.7Low58.3Low136 Ų136138.4 Ų138.471%0.71271%0.714SS**  trans-77.4134.5169.7-73.2168.9000109.7V198V198-L200 HydrophobicContact CG1-CD2 4.39Å; V198-L200 HydrophobicContact CG1-CG 4.34Å; V198-L200 PolarHBondContact O-N 3.13Å
201P61.6Low57.2Low109 Ų109140.3 Ų140.371%0.70873%0.731SS**  trans-59.1138.8168.7-2334.4000111.1D203P201-D203 PolarHBondContact O-N 3.08Å
202N58.7Low56.2Low150 Ų150145 Ų14580%0.80278%0.781SS**THydrogen-bonded Turntrans-715.5-167.3-102.6-0.2000116.1
203D56.7Low55.8Low141 Ų141146.8 Ų146.875%0.75479%0.786SS**THydrogen-bonded Turntrans-105.115.6-159.2-57.8-29000114.6P201P201-D203 PolarHBondContact O-N 3.08Å
204Y57.5Low55.4Low211 Ų211149.6 Ų149.683%0.82779%0.793SS**  trans-132.986.5178.5-101.3-92.8000113.6
205F54.2Low55.3Low189 Ų189148.5 Ų148.583%0.82979%0.794SS**  trans-136.9116.4153.2-69.7-77.7000108.8I207F205-I207 PolarHBondContact O-N 3.18Å
206E52Low55Low179 Ų179148.1 Ų148.184%0.83681%0.806SS**  trans-76.8119163.9-78.7-171.6141.300109V208E206-V208 PolarHBondContact O-N 2.97Å
207I55.3Low55.1Low152 Ų152153.8 Ų153.878%0.77982%0.819SS**  trans-79.8100.5169.1-58.9173.8000107.1F205 E209F205-I207 PolarHBondContact O-N 3.18Å; I207-E209 HydrophobicContact CG2-CG 4.11Å; I207-E209 PolarHBondContact O-N 3.02Å
208V46Very low54.6Low116 Ų116150.7 Ų150.770%0.70382%0.822SS**  trans-84.894.2169.8-176.80000108.3E206 V210E206-V208 PolarHBondContact O-N 2.97Å; V208-V210 PolarHBondContact O-N 3.25Å
209E50Low54.5Low174 Ų174152.7 Ų152.781%0.81383%0.827SS**PPolyproline II helixtrans-68118.4167.4-71.1-171.114600109.6I207I207-E209 HydrophobicContact CG2-CG 4.11Å; I207-E209 PolarHBondContact O-N 3.02Å
210V45.6Very low53.9Low126 Ų126152.3 Ų152.376%0.76483%0.829SS**PPolyproline II helixtrans-88.2121.8171-179.80000107.9V208V208-V210 PolarHBondContact O-N 3.25Å
211P52.8Low53.7Low119 Ų119153.7 Ų153.777%0.77384%0.838SS**PPolyproline II helixtrans-68.8147.1176.628.7-33.6000111.3
212A53.6Low52.9Low178 Ų178157.7 Ų157.7100%1.47185%0.85SS**  trans-71.80-170.800000115.1

Retrieved 212 of 212 residues in 99.4 ms (Link to these results)

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