A0A3Q0KQL1_SCHMA Loading...

NAM-associated domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQL1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

						>A0A3Q0KQL1_SCHMA|A0A3Q0KQL1
MGGGASEFYGPSDNTTFNVKGKRSDSRNLLNEWQEIQTKMNHKHVLLHTNNEFKQTDWEMIINHISYPPFSMDQEVYWMHLDLIQKQRIDSQATTQQNHW
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	46.4	Very low	71.1	Confident	157 Å²	157	50.7 Å²	50.7	77%	0.773	34%	0.341	S	S	*	.				0	90.1	0	-72.2	-171.8	-173.7	0	0	109.1	N50	M1-N50 HydrophobicContact CE-CB 4.46Å
2	G	45.4	Very low	72.1	Confident	61 Å²	61	54.6 Å²	54.6	63%	0.629	37%	0.369	S	S	*	.			trans	-74.4	137.9	-179.6	0	0	0	0	0	112.6
3	G	59.1	Low	72.6	Confident	69 Å²	69	53.4 Å²	53.4	71%	0.711	36%	0.357	S	S	*	.	S	Bend	trans	-68.7	164.3	169	0	0	0	0	0	112.3
4	G	71.4	Confident	72.3	Confident	26 Å²	26	60.4 Å²	60.4	27%	0.268	39%	0.389	S	S	.	.			trans	116.3	-3	174.7	0	0	0	0	0	115.3	S6 E7	G4-S6 PolarHBondContact O-N 3.48Å; G4-E7 WeakPolarHBondContact O-CB 3.35Å; G4-E7 WeakPolarHBondContact O-CG 3.42Å; G4-E7 PolarHBondContact O-N 3.37Å
5	A	70.8	Confident	72	Confident	26 Å²	26	56.7 Å²	56.7	22%	0.215	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-51.4	-44.2	177	0	0	0	0	0	111.7	E7 F8 Y9 F17	A5-E7 PolarHBondContact O-N 3.38Å; A5-E7 VanDerWaalsContact O-N 3.07Å; A5-F8 WeakPolarHBondContact O-CD2 3.32Å; A5-F8 PolarHBondContact O-N 3.41Å; A5-Y9 HydrophobicContact CB-CE2 4.3Å; A5-Y9 WeakPolarHBondContact O-CD2 3.35Å; A5-Y9 WeakPolarHBondContact O-CE2 3.36Å; A5-F17 HydrophobicContact CB-CD2 3.67Å; A5-F17 HydrophobicContact CB-CE2 3.64Å
6	S	77.7	Confident	71.5	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.098	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-56.8	-24	178.2	59	0	0	0	0	114.8	G4 F8 K20 G21 K22	G4-S6 PolarHBondContact O-N 3.48Å; S6-F8 PolarHBondContact O-N 3.33Å; S6-K20 WeakPolarHBondContact CB-O 3.23Å; S6-G21 CarbonylContact O-C 3.32Å; S6-G21 WeakPolarHBondContact O-CA 3.36Å; S6-K22 PolarHBondContact O-N 3.23Å; S6-K22 WeakPolarHBondContact OG-CE 3.18Å
7	E	81.5	Confident	71.2	Confident	85 Å²	85	60.5 Å²	60.5	40%	0.397	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-73	-10.3	179.6	-50	-56.7	154.3	0	0	112.7	G4 A5 K22 R23	G4-E7 WeakPolarHBondContact O-CB 3.35Å; G4-E7 WeakPolarHBondContact O-CG 3.42Å; G4-E7 PolarHBondContact O-N 3.37Å; A5-E7 PolarHBondContact O-N 3.38Å; A5-E7 VanDerWaalsContact O-N 3.07Å; E7-K22 WeakPolarHBondContact OE1-CD 3.33Å; E7-K22 IonicContact OE1-NZ 2.79Å; E7-K22 PolarHBondContact OE1-NZ 2.68Å; E7-R23 VanDerWaalsContact O-CD 3.23Å; E7-R23 WeakPolarHBondContact O-CD 3.35Å; E7-R23 WeakPolarHBondContact O-CG 3.48Å
8	F	80	Confident	71.1	Confident	38 Å²	38	65.6 Å²	65.6	17%	0.167	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-102.2	-4.5	-179.3	-55.7	-60.3	0	0	0	114.2	A5 S6 N28 L29 M79	A5-F8 WeakPolarHBondContact O-CD2 3.32Å; A5-F8 PolarHBondContact O-N 3.41Å; S6-F8 PolarHBondContact O-N 3.33Å; F8-N28 CarbonylContact O-C 3.53Å; F8-N28 WeakPolarHBondContact O-CA 3.5Å; F8-L29 PolarHBondContact O-N 3.2Å; F8-M79 HydrophobicContact CB-CE 4.11Å; F8-M79 HydrophobicContact CD1-CE 3.19Å; F8-M79 HydrophobicContact CD1-CG 3.98Å; F8-M79 HydrophobicContact CD1-SD 3.93Å; F8-M79 HydrophobicContact CE1-CB 4.04Å; F8-M79 HydrophobicContact CE1-CE 3.73Å; F8-M79 HydrophobicContact CE1-CG 3.56Å; F8-M79 HydrophobicContact CE1-SD 4.15Å; F8-M79 HydrophobicContact CG-CE 3.8Å; F8-M79 HydrophobicContact CG-SD 4.22Å; F8-M79 HydrophobicContact CZ-CG 3.9Å
9	Y	82.4	Confident	71.2	Confident	16 Å²	16	66.3 Å²	66.3	6%	0.063	41%	0.405	C	S	.	.	S	Bend	trans	-121.9	152.3	-175.4	-56.7	-91.3	0	0	0	111.5	A5 D13 T15 G21 K22 R23 R27 L30	A5-Y9 HydrophobicContact CB-CE2 4.3Å; A5-Y9 WeakPolarHBondContact O-CD2 3.35Å; A5-Y9 WeakPolarHBondContact O-CE2 3.36Å; Y9-D13 HydrophobicContact CD1-CB 4.17Å; Y9-D13 HydrophobicContact CG-CB 4.42Å; Y9-T15 HydrophobicContact CD1-CG2 4.09Å; Y9-T15 HydrophobicContact CD2-CG2 3.22Å; Y9-T15 HydrophobicContact CE1-CG2 4.39Å; Y9-T15 HydrophobicContact CE2-CG2 3.62Å; Y9-T15 HydrophobicContact CG-CG2 3.49Å; Y9-T15 VanDerWaalsContact CG-CG2 3.49Å; Y9-G21 CarbonylContact O-C 3.53Å; Y9-G21 WeakPolarHBondContact O-CA 3.41Å; Y9-K22 PolarHBondContact O-N 3.1Å; Y9-R23 WeakPolarHBondContact O-CB 3.35Å; Y9-R23 WeakPolarHBondContact O-CG 3.49Å; Y9-R23 PolarHBondContact O-N 3.23Å; Y9-R27 CarbonylContact C-O 3.54Å; Y9-L30 HydrophobicContact CE1-CD2 4.24Å; Y9-L30 WeakPolarHBondContact OH-CD2 3.46Å
10	G	84.6	Confident	71.7	Confident	0 Å²	0	71 Å²	71	0%	0	42%	0.419	C	S	.	.			trans	-71.1	158.3	169.9	0	0	0	0	0	112.6	S12 D13 G21 R27	G10-S12 PolarHBondContact O-N 2.7Å; G10-S12 VanDerWaalsContact O-N 3.09Å; G10-D13 PolarHBondContact N-OD2 3.24Å; G10-D13 WeakPolarHBondContact O-CB 3.35Å; G10-D13 PolarHBondContact O-N 3.33Å; G10-G21 VanDerWaalsContact O-CA 3.25Å; G10-G21 WeakPolarHBondContact O-CA 3.41Å; G10-G21 PolarHBondContact O-N 3.3Å; G10-R27 PolarHBondContact N-O 3.05Å
11	P	83.1	Confident	72.2	Confident	66 Å²	66	67.9 Å²	67.9	43%	0.429	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.6	177.4	-28.5	31.8	0	0	0	115.3	G21 R23	P11-G21 WeakPolarHBondContact CA-O 3.26Å; P11-R23 WeakPolarHBondContact CD-O 3.37Å
12	S	82.1	Confident	74	Confident	97 Å²	97	66.4 Å²	66.4	68%	0.678	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-13	176.6	52.3	0	0	0	0	114	G10	G10-S12 PolarHBondContact O-N 2.7Å; G10-S12 VanDerWaalsContact O-N 3.09Å
13	D	79.4	Confident	75.9	Confident	39 Å²	39	65.2 Å²	65.2	21%	0.209	37%	0.368	C	S	.	.			trans	-80.2	128.1	-178	-68.9	-33.5	0	0	0	110.1	Y9 G10 T15	Y9-D13 HydrophobicContact CD1-CB 4.17Å; Y9-D13 HydrophobicContact CG-CB 4.42Å; G10-D13 PolarHBondContact N-OD2 3.24Å; G10-D13 WeakPolarHBondContact O-CB 3.35Å; G10-D13 PolarHBondContact O-N 3.33Å; D13-T15 PolarHBondContact O-N 3.39Å
14	N	68.6	Low	77.3	Confident	152 Å²	152	67.8 Å²	67.8	81%	0.813	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-76.2	109.2	165.9	-80.8	-14.3	0	0	0	108.3
15	T	67.1	Low	78.1	Confident	4 Å²	4	69.9 Å²	69.9	3%	0.025	38%	0.38	C	S	.	.			trans	-73.5	153.6	171.5	70.3	0	0	0	0	110.1	Y9 D13 F17 N18 V19	Y9-T15 HydrophobicContact CD1-CG2 4.09Å; Y9-T15 HydrophobicContact CD2-CG2 3.22Å; Y9-T15 HydrophobicContact CE1-CG2 4.39Å; Y9-T15 HydrophobicContact CE2-CG2 3.62Å; Y9-T15 HydrophobicContact CG-CG2 3.49Å; Y9-T15 VanDerWaalsContact CG-CG2 3.49Å; D13-T15 PolarHBondContact O-N 3.39Å; T15-F17 PolarHBondContact O-N 3.07Å; T15-F17 PolarHBondContact OG1-N 3.26Å; T15-N18 PolarHBondContact O-N 2.79Å; T15-V19 WeakPolarHBondContact CB-O 3.03Å; T15-V19 WeakPolarHBondContact CG2-O 3.29Å; T15-V19 PolarHBondContact OG1-N 3.47Å; T15-V19 VanDerWaalsContact OG1-N 3.13Å; T15-V19 PolarHBondContact OG1-O 3.48Å
16	T	64.7	Low	78.8	Confident	82 Å²	82	72.2 Å²	72.2	50%	0.503	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-18.8	172.7	-47.1	0	0	0	0	113.1	H48	T16-H48 HydrophobicContact CG2-CB 3.87Å; T16-H48 PolarHBondContact OG1-CE1 2.88Å; T16-H48 PolarHBondContact OG1-NE2 3.2Å
17	F	65.7	Low	79.3	Confident	97 Å²	97	74.9 Å²	74.9	43%	0.425	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	8.7	-178	-54.8	-73.1	0	0	0	114.1	A5 T15 V19 H48	A5-F17 HydrophobicContact CB-CD2 3.67Å; A5-F17 HydrophobicContact CB-CE2 3.64Å; T15-F17 PolarHBondContact O-N 3.07Å; T15-F17 PolarHBondContact OG1-N 3.26Å; F17-V19 HydrophobicContact CB-CG2 4.23Å; F17-V19 PolarHBondContact O-N 3.13Å; F17-V19 VanDerWaalsContact O-N 3.11Å; F17-H48 HydrophobicContact CZ-CB 4.25Å
18	N	69.6	Low	79.5	Confident	152 Å²	152	72.9 Å²	72.9	81%	0.813	40%	0.395	S	S	*	.	S	Bend	trans	54.5	24.7	-173.4	-67.8	-32	0	0	0	113.9	T15	T15-N18 PolarHBondContact O-N 2.79Å
19	V	72.7	Confident	79.7	Confident	78 Å²	78	71.2 Å²	71.2	47%	0.473	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-101.5	143.6	172.2	-175.5	0	0	0	0	107.9	T15 F17	T15-V19 WeakPolarHBondContact CB-O 3.03Å; T15-V19 WeakPolarHBondContact CG2-O 3.29Å; T15-V19 PolarHBondContact OG1-N 3.47Å; T15-V19 VanDerWaalsContact OG1-N 3.13Å; T15-V19 PolarHBondContact OG1-O 3.48Å; F17-V19 HydrophobicContact CB-CG2 4.23Å; F17-V19 PolarHBondContact O-N 3.13Å; F17-V19 VanDerWaalsContact O-N 3.11Å
20	K	80.7	Confident	79.6	Confident	160 Å²	160	71 Å²	71	70%	0.696	39%	0.388	S	S	*	.	B	Isolated β-bridge	trans	-71.5	142.7	172.2	-67.5	-171.6	177.6	-174.5	0	110.6	S6	S6-K20 WeakPolarHBondContact CB-O 3.23Å
21	G	82.6	Confident	79.6	Confident	6 Å²	6	74.3 Å²	74.3	6%	0.062	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-61.9	158.6	167.1	0	0	0	0	0	112.2	S6 Y9 G10 P11	S6-G21 CarbonylContact O-C 3.32Å; S6-G21 WeakPolarHBondContact O-CA 3.36Å; Y9-G21 CarbonylContact O-C 3.53Å; Y9-G21 WeakPolarHBondContact O-CA 3.41Å; G10-G21 VanDerWaalsContact O-CA 3.25Å; G10-G21 WeakPolarHBondContact O-CA 3.41Å; G10-G21 PolarHBondContact O-N 3.3Å; P11-G21 WeakPolarHBondContact CA-O 3.26Å
22	K	85.7	Confident	79.7	Confident	127 Å²	127	73.3 Å²	73.3	55%	0.552	40%	0.395	S	S	*	.			trans	-115.1	-4.7	-176.5	-70.2	177.6	-174.4	176.5	0	113.6	S6 E7 Y9 S24	S6-K22 PolarHBondContact O-N 3.23Å; S6-K22 WeakPolarHBondContact OG-CE 3.18Å; E7-K22 WeakPolarHBondContact OE1-CD 3.33Å; E7-K22 IonicContact OE1-NZ 2.79Å; E7-K22 PolarHBondContact OE1-NZ 2.68Å; Y9-K22 PolarHBondContact O-N 3.1Å; K22-S24 PolarHBondContact O-N 3.12Å
23	R	84.9	Confident	79.7	Confident	36 Å²	36	69.1 Å²	69.1	14%	0.136	36%	0.364	C	S	.	.			trans	-73.2	118.7	-174.5	-65.6	-168.9	62.8	89.9	-7.6	112.7	E7 Y9 P11 D25 S26 R27 E75	E7-R23 VanDerWaalsContact O-CD 3.23Å; E7-R23 WeakPolarHBondContact O-CD 3.35Å; E7-R23 WeakPolarHBondContact O-CG 3.48Å; Y9-R23 WeakPolarHBondContact O-CB 3.35Å; Y9-R23 WeakPolarHBondContact O-CG 3.49Å; Y9-R23 PolarHBondContact O-N 3.23Å; P11-R23 WeakPolarHBondContact CD-O 3.37Å; R23-D25 WeakPolarHBondContact CB-OD1 3.45Å; R23-D25 IonicContact CZ-OD1 3.42Å; R23-D25 IonicContact CZ-OD2 3.69Å; R23-D25 IonicContact NE-OD1 2.66Å; R23-D25 PolarHBondContact NE-OD1 3.45Å; R23-D25 IonicContact NE-OD2 2.98Å; R23-D25 IonicContact NH2-OD1 3.43Å; R23-D25 IonicContact NH2-OD2 3.65Å; R23-D25 PolarHBondContact NH2-OD2 3.22Å; R23-D25 PolarHBondContact O-N 3.05Å; R23-S26 PolarHBondContact O-N 3.37Å; R23-R27 WeakPolarHBondContact CD-O 3.33Å; R23-E75 IonicContact CZ-OE2 3.5Å; R23-E75 IonicContact NH1-OE2 3.56Å; R23-E75 PolarHBondContact NH1-OE2 2.79Å; R23-E75 IonicContact NH2-OE2 2.71Å; R23-E75 PolarHBondContact NH2-OE2 3.02Å
24	S	87.7	Confident	79.9	Confident	122 Å²	122	69.8 Å²	69.8	85%	0.853	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.6	179	53.4	0	0	0	0	114.2	K22 S26	K22-S24 PolarHBondContact O-N 3.12Å; S24-S26 VanDerWaalsContact C-N 3.31Å
25	D	88.5	Confident	80.7	Confident	71 Å²	71	68 Å²	68	38%	0.38	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.6	179.2	65.6	5	0	0	0	114	R23 R27	R23-D25 WeakPolarHBondContact CB-OD1 3.45Å; R23-D25 IonicContact CZ-OD1 3.42Å; R23-D25 IonicContact CZ-OD2 3.69Å; R23-D25 IonicContact NE-OD1 2.66Å; R23-D25 PolarHBondContact NE-OD1 3.45Å; R23-D25 IonicContact NE-OD2 2.98Å; R23-D25 IonicContact NH2-OD1 3.43Å; R23-D25 IonicContact NH2-OD2 3.65Å; R23-D25 PolarHBondContact NH2-OD2 3.22Å; R23-D25 PolarHBondContact O-N 3.05Å; D25-R27 HydrophobicContact CB-CG 4.38Å; D25-R27 PolarHBondContact O-N 3.4Å; D25-R27 VanDerWaalsContact O-N 3.09Å; D25-R27 WeakPolarHBondContact OD1-CB 3.22Å; D25-R27 PolarHBondContact OD1-N 3.14Å; D25-R27 VanDerWaalsContact OD2-CD 3.24Å; D25-R27 WeakPolarHBondContact OD2-CD 3.26Å
26	S	85.9	Confident	81.4	Confident	75 Å²	75	69.5 Å²	69.5	52%	0.524	36%	0.36	S	S	.	.			trans	57.2	17.8	-177.8	-50.2	0	0	0	0	114.7	R23 S24	R23-S26 PolarHBondContact O-N 3.37Å; S24-S26 VanDerWaalsContact C-N 3.31Å
27	R	87.1	Confident	82	Confident	69 Å²	69	65.9 Å²	65.9	26%	0.26	34%	0.338	S	S	.	.			trans	-76.4	143.9	175.1	-70.9	175	67.2	-174.1	3.4	110.6	Y9 G10 R23 D25 L29 E32 D73	Y9-R27 CarbonylContact C-O 3.54Å; G10-R27 PolarHBondContact N-O 3.05Å; R23-R27 WeakPolarHBondContact CD-O 3.33Å; D25-R27 HydrophobicContact CB-CG 4.38Å; D25-R27 PolarHBondContact O-N 3.4Å; D25-R27 VanDerWaalsContact O-N 3.09Å; D25-R27 WeakPolarHBondContact OD1-CB 3.22Å; D25-R27 PolarHBondContact OD1-N 3.14Å; D25-R27 VanDerWaalsContact OD2-CD 3.24Å; D25-R27 WeakPolarHBondContact OD2-CD 3.26Å; R27-L29 HydrophobicContact CB-CD2 4.02Å; R27-E32 WeakPolarHBondContact CB-OE1 3.43Å; R27-E32 IonicContact CZ-OE1 2.75Å; R27-E32 IonicContact CZ-OE2 3.65Å; R27-E32 IonicContact NE-OE1 3.43Å; R27-E32 PolarHBondContact NE-OE1 2.89Å; R27-E32 IonicContact NE-OE2 2.83Å; R27-E32 PolarHBondContact NE-OE2 2.93Å; R27-E32 IonicContact NH2-OE1 3.22Å; R27-E32 IonicContact NH2-OE2 3.66Å; R27-E32 PolarHBondContact NH2-OE2 2.93Å; R27-D73 IonicContact CZ-OD2 3.37Å; R27-D73 IonicContact NH1-OD2 2.94Å; R27-D73 PolarHBondContact NH1-OD2 3.34Å; R27-D73 IonicContact NH2-OD2 2.81Å; R27-D73 PolarHBondContact NH2-OD2 3.35Å
28	N	86.4	Confident	82.9	Confident	43 Å²	43	65.6 Å²	65.6	23%	0.23	34%	0.344	C	S	.	.			trans	-104.7	84.7	167.4	-175.3	-24.6	0	0	0	108	F8 L30 N31 E32	F8-N28 CarbonylContact O-C 3.53Å; F8-N28 WeakPolarHBondContact O-CA 3.5Å; N28-L30 PolarHBondContact O-N 3.4Å; N28-L30 PolarHBondContact OD1-N 3.5Å; N28-N31 HydrophobicContact CB-CB 4.09Å; N28-N31 PolarHBondContact O-N 3.47Å; N28-N31 VanDerWaalsContact O-N 3.13Å; N28-N31 PolarHBondContact OD1-N 3.4Å; N28-E32 WeakPolarHBondContact O-CG 3.37Å; N28-E32 PolarHBondContact O-N 3.38Å
29	L	84.1	Confident	83.6	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-24.4	-174.2	-66.1	-169.5	0	0	0	112.6	F8 R27 W33 E75 V76 M79	F8-L29 PolarHBondContact O-N 3.2Å; R27-L29 HydrophobicContact CB-CD2 4.02Å; L29-W33 WeakPolarHBondContact O-CB 3.4Å; L29-W33 PolarHBondContact O-N 3.15Å; L29-E75 HydrophobicContact CD1-CB 4.15Å; L29-V76 HydrophobicContact CD2-CG2 4.28Å; L29-M79 HydrophobicContact CB-CE 3.12Å; L29-M79 HydrophobicContact CD1-CE 4.11Å; L29-M79 HydrophobicContact CG-CE 4.28Å; L29-M79 VanDerWaalsContact O-CE 3.32Å; L29-M79 WeakPolarHBondContact O-CE 3.41Å
30	L	81.2	Confident	83.9	Confident	12 Å²	12	65.9 Å²	65.9	6%	0.063	33%	0.333	C	S	.	.	H	α-helix	trans	-69.2	-44.8	175.4	-177.6	66.3	0	0	0	110.9	Y9 N28 E32 W33 Q34 L46 M79	Y9-L30 HydrophobicContact CE1-CD2 4.24Å; Y9-L30 WeakPolarHBondContact OH-CD2 3.46Å; N28-L30 PolarHBondContact O-N 3.4Å; N28-L30 PolarHBondContact OD1-N 3.5Å; L30-E32 VanDerWaalsContact C-N 3.35Å; L30-W33 HydrophobicContact CD1-CE3 4Å; L30-W33 HydrophobicContact CD1-CZ3 4.47Å; L30-W33 WeakPolarHBondContact O-CB 3.38Å; L30-W33 PolarHBondContact O-N 3.08Å; L30-Q34 WeakPolarHBondContact O-CG 3.48Å; L30-Q34 PolarHBondContact O-N 3.42Å; L30-L46 HydrophobicContact CD1-CD1 3.85Å; L30-L46 HydrophobicContact CD2-CD1 3.83Å; L30-L46 HydrophobicContact CD2-CD2 3.74Å; L30-L46 HydrophobicContact CD2-CG 4.43Å; L30-L46 HydrophobicContact CG-CD1 4.29Å; L30-L46 HydrophobicContact CG-CD2 4.35Å; L30-M79 HydrophobicContact CB-SD 4.46Å; L30-M79 HydrophobicContact CD1-SD 4.07Å
31	N	84.1	Confident	83.9	Confident	69 Å²	69	64.8 Å²	64.8	37%	0.369	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-44.5	174.6	-176.5	66.5	0	0	0	110.9	N28 W33 Q34 E35	N28-N31 HydrophobicContact CB-CB 4.09Å; N28-N31 PolarHBondContact O-N 3.47Å; N28-N31 VanDerWaalsContact O-N 3.13Å; N28-N31 PolarHBondContact OD1-N 3.4Å; N31-W33 VanDerWaalsContact C-N 3.29Å; N31-W33 PolarHBondContact O-N 3.45Å; N31-Q34 PolarHBondContact O-N 3.23Å; N31-Q34 VanDerWaalsContact O-N 3.12Å; N31-E35 PolarHBondContact ND2-OE1 3.2Å; N31-E35 WeakPolarHBondContact O-CG 3.44Å; N31-E35 PolarHBondContact O-N 3.37Å
32	E	85.7	Confident	83.7	Confident	45 Å²	45	66 Å²	66	21%	0.21	34%	0.339	C	S	.	.	H	α-helix	trans	-58.5	-41.8	175.2	-67.4	-179.5	-146.4	0	0	112.1	R27 N28 L30 E35 I36	R27-E32 WeakPolarHBondContact CB-OE1 3.43Å; R27-E32 IonicContact CZ-OE1 2.75Å; R27-E32 IonicContact CZ-OE2 3.65Å; R27-E32 IonicContact NE-OE1 3.43Å; R27-E32 PolarHBondContact NE-OE1 2.89Å; R27-E32 IonicContact NE-OE2 2.83Å; R27-E32 PolarHBondContact NE-OE2 2.93Å; R27-E32 IonicContact NH2-OE1 3.22Å; R27-E32 IonicContact NH2-OE2 3.66Å; R27-E32 PolarHBondContact NH2-OE2 2.93Å; N28-E32 WeakPolarHBondContact O-CG 3.37Å; N28-E32 PolarHBondContact O-N 3.38Å; L30-E32 VanDerWaalsContact C-N 3.35Å; E32-E35 PolarHBondContact O-N 2.95Å; E32-I36 WeakPolarHBondContact O-CB 3.07Å; E32-I36 WeakPolarHBondContact O-CD1 3.41Å; E32-I36 WeakPolarHBondContact O-CG1 3.17Å; E32-I36 PolarHBondContact O-N 3.07Å
33	W	82.2	Confident	83.2	Confident	10 Å²	10	64.3 Å²	64.3	4%	0.038	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-46.3	174.1	172.5	79.5	0	0	0	111.9	L29 L30 N31 I36 Q37 H44 V76 M79 H80	L29-W33 WeakPolarHBondContact O-CB 3.4Å; L29-W33 PolarHBondContact O-N 3.15Å; L30-W33 HydrophobicContact CD1-CE3 4Å; L30-W33 HydrophobicContact CD1-CZ3 4.47Å; L30-W33 WeakPolarHBondContact O-CB 3.38Å; L30-W33 PolarHBondContact O-N 3.08Å; N31-W33 VanDerWaalsContact C-N 3.29Å; N31-W33 PolarHBondContact O-N 3.45Å; W33-I36 WeakPolarHBondContact O-CB 3.33Å; W33-I36 PolarHBondContact O-N 2.93Å; W33-Q37 HydrophobicContact CD2-CG 4.07Å; W33-Q37 HydrophobicContact CH2-CG 4.31Å; W33-Q37 HydrophobicContact CZ2-CG 3.69Å; W33-Q37 WeakPolarHBondContact O-CG 2.95Å; W33-Q37 PolarHBondContact O-N 2.72Å; W33-H44 HydrophobicContact CH2-CB 3.86Å; W33-H44 HydrophobicContact CZ2-CB 4.24Å; W33-V76 HydrophobicContact CB-CG1 3.9Å; W33-V76 HydrophobicContact CG-CG1 4.49Å; W33-M79 HydrophobicContact CB-SD 4.29Å; W33-H80 AromaticContact CE2-ND1 3.67Å; W33-H80 AromaticContact CZ2-ND1 3.73Å; W33-H80 AromaticContact NE1-CG 3.55Å; W33-H80 AromaticContact NE1-ND1 3.06Å; W33-H80 PolarHBondContact NE1-ND1 2.95Å
34	Q	82.4	Confident	82.8	Confident	52 Å²	52	65.3 Å²	65.3	24%	0.243	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-42	178.4	-69.7	-177.9	-82.1	0	0	112.3	L30 N31 I36 Q37 T38	L30-Q34 WeakPolarHBondContact O-CG 3.48Å; L30-Q34 PolarHBondContact O-N 3.42Å; N31-Q34 PolarHBondContact O-N 3.23Å; N31-Q34 VanDerWaalsContact O-N 3.12Å; Q34-I36 VanDerWaalsContact C-N 3.29Å; Q34-I36 PolarHBondContact O-N 2.73Å; Q34-Q37 PolarHBondContact O-N 3.2Å; Q34-T38 WeakPolarHBondContact O-CB 3.36Å; Q34-T38 PolarHBondContact O-N 3.19Å; Q34-T38 PolarHBondContact O-OG1 3.36Å
35	E	85.8	Confident	82.2	Confident	114 Å²	114	61.4 Å²	61.4	53%	0.533	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-42.4	175.1	-73.9	176	-175.8	0	0	111.1	N31 E32 T38 K39	N31-E35 PolarHBondContact ND2-OE1 3.2Å; N31-E35 WeakPolarHBondContact O-CG 3.44Å; N31-E35 PolarHBondContact O-N 3.37Å; E32-E35 PolarHBondContact O-N 2.95Å; E35-T38 PolarHBondContact O-N 3.25Å; E35-K39 VanDerWaalsContact O-CB 3.31Å; E35-K39 WeakPolarHBondContact O-CB 3.45Å; E35-K39 PolarHBondContact O-N 3.45Å
36	I	80.7	Confident	81.6	Confident	37 Å²	37	60.1 Å²	60.1	19%	0.19	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-49.3	175.4	-78.3	164.1	0	0	0	111.3	E32 W33 Q34 T38 K39 M40 M72 V76	E32-I36 WeakPolarHBondContact O-CB 3.07Å; E32-I36 WeakPolarHBondContact O-CD1 3.41Å; E32-I36 WeakPolarHBondContact O-CG1 3.17Å; E32-I36 PolarHBondContact O-N 3.07Å; W33-I36 WeakPolarHBondContact O-CB 3.33Å; W33-I36 PolarHBondContact O-N 2.93Å; Q34-I36 VanDerWaalsContact C-N 3.29Å; Q34-I36 PolarHBondContact O-N 2.73Å; I36-T38 VanDerWaalsContact C-N 3.25Å; I36-T38 PolarHBondContact O-N 3.29Å; I36-K39 PolarHBondContact O-N 3.4Å; I36-M40 HydrophobicContact CB-CE 4.48Å; I36-M40 HydrophobicContact CG2-CE 3.33Å; I36-M40 HydrophobicContact CG2-SD 3.98Å; I36-M40 WeakPolarHBondContact O-CG 3.38Å; I36-M40 PolarHBondContact O-N 2.87Å; I36-M72 HydrophobicContact CG2-CE 3.35Å; I36-V76 HydrophobicContact CD1-CG1 3.79Å
37	Q	78.4	Confident	81.1	Confident	5 Å²	5	58 Å²	58	2%	0.023	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-41.9	178.2	-63.1	-46.4	-51.7	0	0	111	W33 Q34 M40 N41 H42 H44	W33-Q37 HydrophobicContact CD2-CG 4.07Å; W33-Q37 HydrophobicContact CH2-CG 4.31Å; W33-Q37 HydrophobicContact CZ2-CG 3.69Å; W33-Q37 WeakPolarHBondContact O-CG 2.95Å; W33-Q37 PolarHBondContact O-N 2.72Å; Q34-Q37 PolarHBondContact O-N 3.2Å; Q37-M40 PolarHBondContact O-N 3.41Å; Q37-N41 PolarHBondContact O-N 2.92Å; Q37-H42 HydrophobicContact CB-CB 4.24Å; Q37-H42 PolarHBondContact O-N 3.14Å; Q37-H42 PolarHBondContact OE1-ND1 2.89Å; Q37-H44 HydrophobicContact CB-CB 3.92Å; Q37-H44 VanDerWaalsContact CB-ND1 3.35Å; Q37-H44 WeakPolarHBondContact CB-ND1 3.34Å; Q37-H44 HydrophobicContact CG-CB 3.93Å
38	T	84.1	Confident	80.3	Confident	91 Å²	91	56.6 Å²	56.6	56%	0.558	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-46.8	175.8	-55.8	0	0	0	0	111.4	Q34 E35 I36 M40 N41 H44	Q34-T38 WeakPolarHBondContact O-CB 3.36Å; Q34-T38 PolarHBondContact O-N 3.19Å; Q34-T38 PolarHBondContact O-OG1 3.36Å; E35-T38 PolarHBondContact O-N 3.25Å; I36-T38 VanDerWaalsContact C-N 3.25Å; I36-T38 PolarHBondContact O-N 3.29Å; T38-M40 VanDerWaalsContact C-N 3.26Å; T38-M40 PolarHBondContact O-N 3.41Å; T38-N41 PolarHBondContact O-N 3.05Å; T38-H44 PolarHBondContact OG1-CE1 2.94Å
39	K	84.8	Confident	79.5	Confident	187 Å²	187	57.5 Å²	57.5	81%	0.813	29%	0.288	S	S	*	.	H	α-helix	trans	-61.4	-33.7	178.3	-177.4	177.8	178.7	179.6	0	112.7	E35 I36 N41	E35-K39 VanDerWaalsContact O-CB 3.31Å; E35-K39 WeakPolarHBondContact O-CB 3.45Å; E35-K39 PolarHBondContact O-N 3.45Å; I36-K39 PolarHBondContact O-N 3.4Å; K39-N41 VanDerWaalsContact C-N 3.25Å; K39-N41 PolarHBondContact O-N 2.9Å
40	M	79.5	Confident	78.9	Confident	50 Å²	50	61.1 Å²	61.1	25%	0.246	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.7	177.8	-63.3	178.6	-164.5	0	0	113.1	I36 Q37 T38 H42 P69 M72	I36-M40 HydrophobicContact CB-CE 4.48Å; I36-M40 HydrophobicContact CG2-CE 3.33Å; I36-M40 HydrophobicContact CG2-SD 3.98Å; I36-M40 WeakPolarHBondContact O-CG 3.38Å; I36-M40 PolarHBondContact O-N 2.87Å; Q37-M40 PolarHBondContact O-N 3.41Å; T38-M40 VanDerWaalsContact C-N 3.26Å; T38-M40 PolarHBondContact O-N 3.41Å; M40-H42 PolarHBondContact O-CD2 3.49Å; M40-H42 VanDerWaalsContact O-CD2 3.25Å; M40-H42 PolarHBondContact O-N 3.47Å; M40-P69 HydrophobicContact CE-CG 3.25Å; M40-P69 WeakPolarHBondContact SD-CD 3.43Å; M40-P69 HydrophobicContact SD-CG 4.01Å; M40-M72 HydrophobicContact CE-CE 4.05Å
41	N	80.5	Confident	78.7	Confident	137 Å²	137	64.9 Å²	64.9	73%	0.733	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	32.7	-172.5	-164.5	48.4	0	0	0	112.3	Q37 T38 K39	Q37-N41 PolarHBondContact O-N 2.92Å; T38-N41 PolarHBondContact O-N 3.05Å; K39-N41 VanDerWaalsContact C-N 3.25Å; K39-N41 PolarHBondContact O-N 2.9Å
42	H	77.4	Confident	78.4	Confident	31 Å²	31	64.9 Å²	64.9	14%	0.144	33%	0.325	C	S	.	.			trans	-83.3	137.5	175.5	-68.3	178.7	0	0	0	110.1	Q37 M40 H44	Q37-H42 HydrophobicContact CB-CB 4.24Å; Q37-H42 PolarHBondContact O-N 3.14Å; Q37-H42 PolarHBondContact OE1-ND1 2.89Å; M40-H42 PolarHBondContact O-CD2 3.49Å; M40-H42 VanDerWaalsContact O-CD2 3.25Å; M40-H42 PolarHBondContact O-N 3.47Å; H42-H44 PolarHBondContact O-N 3.06Å; H42-H44 PolarHBondContact O-ND1 2.89Å
43	K	75.5	Confident	77.8	Confident	91 Å²	91	64.4 Å²	64.4	40%	0.396	32%	0.322	S	S	.	.			trans	-73.1	123.2	169.1	-66.7	179.8	179	-175.4	0	108.3	M60	K43-M60 HydrophobicContact CD-CE 3.98Å; K43-M60 HydrophobicContact CD-CG 3.77Å; K43-M60 WeakPolarHBondContact CD-O 3.32Å; K43-M60 HydrophobicContact CG-CE 4.43Å
44	H	76.3	Confident	77.5	Confident	58 Å²	58	71 Å²	71	27%	0.269	35%	0.351	S	S	.	.			trans	-140	155.6	179	67.1	-79.3	0	0	0	109.5	W33 Q37 T38 H42	W33-H44 HydrophobicContact CH2-CB 3.86Å; W33-H44 HydrophobicContact CZ2-CB 4.24Å; Q37-H44 HydrophobicContact CB-CB 3.92Å; Q37-H44 VanDerWaalsContact CB-ND1 3.35Å; Q37-H44 WeakPolarHBondContact CB-ND1 3.34Å; Q37-H44 HydrophobicContact CG-CB 3.93Å; T38-H44 PolarHBondContact OG1-CE1 2.94Å; H42-H44 PolarHBondContact O-N 3.06Å; H42-H44 PolarHBondContact O-ND1 2.89Å
45	V	75.3	Confident	77.5	Confident	40 Å²	40	75.3 Å²	75.3	24%	0.242	37%	0.371	C	S	.	.			trans	-135.6	140.7	173.3	70.8	0	0	0	0	108.6	L47 T56 I61	V45-L47 HydrophobicContact CB-CD2 4.48Å; V45-L47 HydrophobicContact CG1-CD1 4Å; V45-L47 HydrophobicContact CG1-CD2 4.12Å; V45-L47 HydrophobicContact CG1-CG 3.91Å; V45-L47 HydrophobicContact CG2-CD2 3.56Å; V45-L47 HydrophobicContact CG2-CG 4.15Å; V45-T56 HydrophobicContact CG1-CG2 4.05Å; V45-I61 HydrophobicContact CB-CD1 3.91Å; V45-I61 HydrophobicContact CG1-CD1 3.39Å; V45-I61 HydrophobicContact CG1-CG1 4.45Å
46	L	75.7	Confident	77.1	Confident	44 Å²	44	70.9 Å²	70.9	23%	0.23	35%	0.352	C	S	.	.			trans	-104.9	125.4	170.6	-178.3	58.7	0	0	0	108.6	L30 H48	L30-L46 HydrophobicContact CD1-CD1 3.85Å; L30-L46 HydrophobicContact CD2-CD1 3.83Å; L30-L46 HydrophobicContact CD2-CD2 3.74Å; L30-L46 HydrophobicContact CD2-CG 4.43Å; L30-L46 HydrophobicContact CG-CD1 4.29Å; L30-L46 HydrophobicContact CG-CD2 4.35Å; L46-H48 WeakPolarHBondContact CD2-NE2 3.48Å; L46-H48 WeakPolarHBondContact CG-NE2 3.4Å
47	L	75.5	Confident	77.1	Confident	31 Å²	31	73.8 Å²	73.8	16%	0.162	37%	0.368	C	S	.	.			trans	-124.4	128.8	-175.4	-53.7	172	0	0	0	108.9	V45 E52 F53 T56 W58	V45-L47 HydrophobicContact CB-CD2 4.48Å; V45-L47 HydrophobicContact CG1-CD1 4Å; V45-L47 HydrophobicContact CG1-CD2 4.12Å; V45-L47 HydrophobicContact CG1-CG 3.91Å; V45-L47 HydrophobicContact CG2-CD2 3.56Å; V45-L47 HydrophobicContact CG2-CG 4.15Å; L47-E52 HydrophobicContact CB-CB 4.47Å; L47-E52 HydrophobicContact CD2-CB 3.68Å; L47-F53 HydrophobicContact CD1-CB 4.23Å; L47-F53 HydrophobicContact CD1-CD2 3.89Å; L47-F53 HydrophobicContact CD1-CG 4.47Å; L47-T56 WeakPolarHBondContact CD2-OG1 3.36Å; L47-W58 HydrophobicContact CD1-CH2 3.53Å; L47-W58 HydrophobicContact CD1-CZ2 3.63Å
48	H	71.7	Confident	76.8	Confident	39 Å²	39	76.8 Å²	76.8	18%	0.181	38%	0.379	C	S	.	.			trans	-114.3	-18.1	-179.5	-61.9	-64.1	0	0	0	112.6	T16 F17 L46 E52	T16-H48 HydrophobicContact CG2-CB 3.87Å; T16-H48 PolarHBondContact OG1-CE1 2.88Å; T16-H48 PolarHBondContact OG1-NE2 3.2Å; F17-H48 HydrophobicContact CZ-CB 4.25Å; L46-H48 WeakPolarHBondContact CD2-NE2 3.48Å; L46-H48 WeakPolarHBondContact CG-NE2 3.4Å; H48-E52 WeakPolarHBondContact CA-OE2 3.15Å; H48-E52 PolarHBondContact N-OE2 3.48Å
49	T	69.5	Low	76.2	Confident	62 Å²	62	80.1 Å²	80.1	38%	0.38	39%	0.388	S	S	.	.	S	Bend	trans	-131.3	154	-175.6	69.2	0	0	0	0	111.4	N51 E52 F53	T49-N51 PolarHBondContact O-N 2.9Å; T49-E52 PolarHBondContact N-OE2 2.63Å; T49-E52 PolarHBondContact O-N 3.22Å; T49-E52 VanDerWaalsContact OG1-CD 3.32Å; T49-E52 VanDerWaalsContact OG1-CG 3.26Å; T49-E52 WeakPolarHBondContact OG1-CG 3.42Å; T49-E52 PolarHBondContact OG1-N 3.11Å; T49-E52 VanDerWaalsContact OG1-N 3.13Å; T49-E52 PolarHBondContact OG1-OE2 3.41Å; T49-F53 PolarHBondContact O-N 2.81Å; T49-F53 VanDerWaalsContact O-N 3.14Å
50	N	71	Confident	75.5	Confident	79 Å²	79	76 Å²	76	42%	0.422	37%	0.373	S	S	.	.	H	α-helix	trans	-60.8	-27.1	171.7	-75.7	-15.1	0	0	0	112.3	M1 K54	M1-N50 HydrophobicContact CE-CB 4.46Å; N50-K54 WeakPolarHBondContact O-CG 3.38Å; N50-K54 PolarHBondContact O-N 3Å; N50-K54 VanDerWaalsContact O-N 3.1Å
51	N	76	Confident	74.9	Confident	91 Å²	91	75.3 Å²	75.3	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-69.6	-46.4	178.6	-170.7	61.7	0	0	0	111.2	T49 F53 K54 Q55	T49-N51 PolarHBondContact O-N 2.9Å; N51-F53 VanDerWaalsContact C-N 3.28Å; N51-F53 PolarHBondContact O-N 3.43Å; N51-K54 PolarHBondContact O-N 3.02Å; N51-Q55 PolarHBondContact ND2-NE2 3.05Å; N51-Q55 PolarHBondContact ND2-OE1 3.3Å; N51-Q55 WeakPolarHBondContact O-CG 3.31Å; N51-Q55 PolarHBondContact O-N 3.19Å
52	E	77.5	Confident	73.9	Confident	68 Å²	68	74 Å²	74	32%	0.318	36%	0.362	S	S	.	.	H	α-helix	trans	-59	-42.8	174	-67.9	159	148.2	0	0	110.7	L47 H48 T49 K54 Q55 T56	L47-E52 HydrophobicContact CB-CB 4.47Å; L47-E52 HydrophobicContact CD2-CB 3.68Å; H48-E52 WeakPolarHBondContact CA-OE2 3.15Å; H48-E52 PolarHBondContact N-OE2 3.48Å; T49-E52 PolarHBondContact N-OE2 2.63Å; T49-E52 PolarHBondContact O-N 3.22Å; T49-E52 VanDerWaalsContact OG1-CD 3.32Å; T49-E52 VanDerWaalsContact OG1-CG 3.26Å; T49-E52 WeakPolarHBondContact OG1-CG 3.42Å; T49-E52 PolarHBondContact OG1-N 3.11Å; T49-E52 VanDerWaalsContact OG1-N 3.13Å; T49-E52 PolarHBondContact OG1-OE2 3.41Å; E52-K54 VanDerWaalsContact C-N 3.34Å; E52-K54 PolarHBondContact O-N 3.32Å; E52-Q55 PolarHBondContact O-N 3.07Å; E52-T56 PolarHBondContact O-N 3.13Å; E52-T56 PolarHBondContact O-OG1 3.24Å
53	F	73.9	Confident	72.8	Confident	35 Å²	35	78.7 Å²	78.7	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-56.4	-45.5	176.5	-177.6	-81.6	0	0	0	112.8	L47 T49 N51 T56 W58 Q87 S91	L47-F53 HydrophobicContact CD1-CB 4.23Å; L47-F53 HydrophobicContact CD1-CD2 3.89Å; L47-F53 HydrophobicContact CD1-CG 4.47Å; T49-F53 PolarHBondContact O-N 2.81Å; T49-F53 VanDerWaalsContact O-N 3.14Å; N51-F53 VanDerWaalsContact C-N 3.28Å; N51-F53 PolarHBondContact O-N 3.43Å; F53-T56 WeakPolarHBondContact O-CB 3.41Å; F53-T56 PolarHBondContact O-N 2.91Å; F53-W58 HydrophobicContact CD1-CZ2 4.39Å; F53-W58 AromaticContact CD2-CH2 3.9Å; F53-W58 HydrophobicContact CD2-CH2 3.9Å; F53-W58 AromaticContact CD2-CZ2 3.33Å; F53-W58 HydrophobicContact CD2-CZ2 3.33Å; F53-W58 HydrophobicContact CE1-CZ2 4.2Å; F53-W58 AromaticContact CE2-CE2 3.88Å; F53-W58 AromaticContact CE2-CH2 3.54Å; F53-W58 HydrophobicContact CE2-CH2 3.54Å; F53-W58 AromaticContact CE2-CZ2 3.08Å; F53-W58 HydrophobicContact CE2-CZ2 3.08Å; F53-W58 AromaticContact CG-CZ2 3.95Å; F53-W58 HydrophobicContact CG-CZ2 3.95Å; F53-W58 AromaticContact CZ-CE2 3.82Å; F53-W58 HydrophobicContact CZ-CH2 4.26Å; F53-W58 AromaticContact CZ-CZ2 3.52Å; F53-W58 HydrophobicContact CZ-CZ2 3.52Å; F53-W58 PolarHBondContact O-NE1 3.3Å; F53-W58 VanDerWaalsContact O-NE1 3.12Å; F53-Q87 HydrophobicContact CE2-CB 4.42Å; F53-S91 VanDerWaalsContact CZ-CB 3.5Å
54	K	75.9	Confident	71.8	Confident	148 Å²	148	78.3 Å²	78.3	64%	0.643	39%	0.387	S	S	*	.	H	α-helix	trans	-70.2	-31.1	180	-73.4	177.6	-179.7	-174.7	0	113.3	N50 N51 E52 T56	N50-K54 WeakPolarHBondContact O-CG 3.38Å; N50-K54 PolarHBondContact O-N 3Å; N50-K54 VanDerWaalsContact O-N 3.1Å; N51-K54 PolarHBondContact O-N 3.02Å; E52-K54 VanDerWaalsContact C-N 3.34Å; E52-K54 PolarHBondContact O-N 3.32Å; K54-T56 VanDerWaalsContact C-N 3.32Å
55	Q	82.3	Confident	70.7	Confident	144 Å²	144	81.2 Å²	81.2	67%	0.673	40%	0.404	S	S	*	.	H	α-helix	trans	-85.9	-7.3	-179.3	-67.9	179.3	-10.3	0	0	112.9	N51 E52	N51-Q55 PolarHBondContact ND2-NE2 3.05Å; N51-Q55 PolarHBondContact ND2-OE1 3.3Å; N51-Q55 WeakPolarHBondContact O-CG 3.31Å; N51-Q55 PolarHBondContact O-N 3.19Å; E52-Q55 PolarHBondContact O-N 3.07Å
56	T	78.6	Confident	69.7	Low	21 Å²	21	82.6 Å²	82.6	13%	0.129	42%	0.415	C	S	.	.	S	Bend	trans	-74.7	129.3	-179.5	-65.7	0	0	0	0	111.1	V45 L47 E52 F53 K54 W58 I61	V45-T56 HydrophobicContact CG1-CG2 4.05Å; L47-T56 WeakPolarHBondContact CD2-OG1 3.36Å; E52-T56 PolarHBondContact O-N 3.13Å; E52-T56 PolarHBondContact O-OG1 3.24Å; F53-T56 WeakPolarHBondContact O-CB 3.41Å; F53-T56 PolarHBondContact O-N 2.91Å; K54-T56 VanDerWaalsContact C-N 3.32Å; T56-W58 HydrophobicContact CG2-CD2 4.05Å; T56-W58 HydrophobicContact CG2-CE3 4.41Å; T56-W58 HydrophobicContact CG2-CG 4.47Å; T56-W58 HydrophobicContact CG2-CH2 4.37Å; T56-W58 HydrophobicContact CG2-CZ2 3.97Å; T56-W58 PolarHBondContact O-N 3.27Å; T56-W58 VanDerWaalsContact O-N 3.15Å; T56-W58 PolarHBondContact O-NE1 2.97Å; T56-I61 HydrophobicContact CG2-CD1 3.24Å
57	D	80.3	Confident	68.8	Low	98 Å²	98	90.9 Å²	90.9	52%	0.524	45%	0.445	S	S	.	.			trans	-75.8	96.6	167.8	-177.7	-5.7	0	0	0	110	E59 M60	D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 2.92Å; D57-E59 WeakPolarHBondContact OD1-CB 3.14Å; D57-E59 PolarHBondContact OD1-N 2.94Å; D57-E59 VanDerWaalsContact OD1-N 3.08Å; D57-M60 HydrophobicContact CB-CB 4.39Å; D57-M60 PolarHBondContact O-N 3.35Å; D57-M60 PolarHBondContact OD1-N 2.87Å
58	W	72	Confident	67.8	Low	67 Å²	67	91.1 Å²	91.1	25%	0.254	45%	0.448	S	S	.	.	H	α-helix	trans	-70.1	-25.4	-178.6	-68.4	100.2	0	0	0	113.4	L47 F53 T56 M60 I61 I62	L47-W58 HydrophobicContact CD1-CH2 3.53Å; L47-W58 HydrophobicContact CD1-CZ2 3.63Å; F53-W58 HydrophobicContact CD1-CZ2 4.39Å; F53-W58 AromaticContact CD2-CH2 3.9Å; F53-W58 HydrophobicContact CD2-CH2 3.9Å; F53-W58 AromaticContact CD2-CZ2 3.33Å; F53-W58 HydrophobicContact CD2-CZ2 3.33Å; F53-W58 HydrophobicContact CE1-CZ2 4.2Å; F53-W58 AromaticContact CE2-CE2 3.88Å; F53-W58 AromaticContact CE2-CH2 3.54Å; F53-W58 HydrophobicContact CE2-CH2 3.54Å; F53-W58 AromaticContact CE2-CZ2 3.08Å; F53-W58 HydrophobicContact CE2-CZ2 3.08Å; F53-W58 AromaticContact CG-CZ2 3.95Å; F53-W58 HydrophobicContact CG-CZ2 3.95Å; F53-W58 AromaticContact CZ-CE2 3.82Å; F53-W58 HydrophobicContact CZ-CH2 4.26Å; F53-W58 AromaticContact CZ-CZ2 3.52Å; F53-W58 HydrophobicContact CZ-CZ2 3.52Å; F53-W58 PolarHBondContact O-NE1 3.3Å; F53-W58 VanDerWaalsContact O-NE1 3.12Å; T56-W58 HydrophobicContact CG2-CD2 4.05Å; T56-W58 HydrophobicContact CG2-CE3 4.41Å; T56-W58 HydrophobicContact CG2-CG 4.47Å; T56-W58 HydrophobicContact CG2-CH2 4.37Å; T56-W58 HydrophobicContact CG2-CZ2 3.97Å; T56-W58 PolarHBondContact O-N 3.27Å; T56-W58 VanDerWaalsContact O-N 3.15Å; T56-W58 PolarHBondContact O-NE1 2.97Å; W58-M60 PolarHBondContact O-N 3.5Å; W58-I61 HydrophobicContact CE3-CD1 4.17Å; W58-I61 HydrophobicContact CZ3-CD1 4.32Å; W58-I61 PolarHBondContact O-N 3.24Å; W58-I62 HydrophobicContact CB-CD1 4.43Å; W58-I62 WeakPolarHBondContact O-CG1 3.45Å; W58-I62 PolarHBondContact O-N 3.33Å
59	E	71.4	Confident	67	Low	162 Å²	162	92.1 Å²	92.1	76%	0.757	46%	0.458	S	S	*	.	H	α-helix	trans	-66.1	-33.7	177.9	-63.6	-168.1	165.7	0	0	111	D57 I61	D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 2.92Å; D57-E59 WeakPolarHBondContact OD1-CB 3.14Å; D57-E59 PolarHBondContact OD1-N 2.94Å; D57-E59 VanDerWaalsContact OD1-N 3.08Å; E59-I61 VanDerWaalsContact C-N 3.32Å; E59-I61 PolarHBondContact O-N 3.23Å
60	M	69	Low	66.2	Low	101 Å²	101	99.8 Å²	99.8	50%	0.498	49%	0.487	S	S	.	.	H	α-helix	trans	-66.1	-32.2	175.6	-179.6	169.9	171.1	0	0	113	K43 D57 W58	K43-M60 HydrophobicContact CD-CE 3.98Å; K43-M60 HydrophobicContact CD-CG 3.77Å; K43-M60 WeakPolarHBondContact CD-O 3.32Å; K43-M60 HydrophobicContact CG-CE 4.43Å; D57-M60 HydrophobicContact CB-CB 4.39Å; D57-M60 PolarHBondContact O-N 3.35Å; D57-M60 PolarHBondContact OD1-N 2.87Å; W58-M60 PolarHBondContact O-N 3.5Å
61	I	67.2	Low	65.7	Low	35 Å²	35	101.2 Å²	101.2	18%	0.179	50%	0.503	C	S	.	.	H	α-helix	trans	-88.8	-37.3	-170.3	-65	159.5	0	0	0	112.4	V45 T56 W58 E59 N63	V45-I61 HydrophobicContact CB-CD1 3.91Å; V45-I61 HydrophobicContact CG1-CD1 3.39Å; V45-I61 HydrophobicContact CG1-CG1 4.45Å; T56-I61 HydrophobicContact CG2-CD1 3.24Å; W58-I61 HydrophobicContact CE3-CD1 4.17Å; W58-I61 HydrophobicContact CZ3-CD1 4.32Å; W58-I61 PolarHBondContact O-N 3.24Å; E59-I61 VanDerWaalsContact C-N 3.32Å; E59-I61 PolarHBondContact O-N 3.23Å; I61-N63 VanDerWaalsContact C-N 3.25Å; I61-N63 PolarHBondContact O-N 3.25Å
62	I	60.1	Low	65.1	Low	108 Å²	108	98.1 Å²	98.1	55%	0.554	49%	0.486	S	S	*	.	H	α-helix	trans	-68.3	-22	-169.1	-70.6	168.3	0	0	0	113.2	W58 H64	W58-I62 HydrophobicContact CB-CD1 4.43Å; W58-I62 WeakPolarHBondContact O-CG1 3.45Å; W58-I62 PolarHBondContact O-N 3.33Å; I62-H64 VanDerWaalsContact C-N 3.28Å; I62-H64 PolarHBondContact O-N 2.96Å; I62-H64 VanDerWaalsContact O-N 3.14Å
63	N	53	Low	64.7	Low	130 Å²	130	97.9 Å²	97.9	70%	0.695	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	1	-171.6	-76.8	-30.7	0	0	0	116.2	I61	I61-N63 VanDerWaalsContact C-N 3.25Å; I61-N63 PolarHBondContact O-N 3.25Å
64	H	54.6	Low	64.4	Low	83 Å²	83	103.2 Å²	103.2	38%	0.384	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	33.7	-174.2	-74	-12.5	0	0	0	115.8	I62 S66	I62-H64 VanDerWaalsContact C-N 3.28Å; I62-H64 PolarHBondContact O-N 2.96Å; I62-H64 VanDerWaalsContact O-N 3.14Å; H64-S66 VanDerWaalsContact C-N 3.28Å; H64-S66 PolarHBondContact O-N 3.42Å
65	I	54.7	Low	64	Low	120 Å²	120	100.6 Å²	100.6	62%	0.615	50%	0.502	S	S	*	.			trans	-75.1	86.1	168.9	-52.8	177.7	0	0	0	108.8
66	S	53.8	Low	63.3	Low	69 Å²	69	93.8 Å²	93.8	48%	0.483	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-97	139.5	171.3	-68.6	0	0	0	0	109.9	H64	H64-S66 VanDerWaalsContact C-N 3.28Å; H64-S66 PolarHBondContact O-N 3.42Å
67	Y	56	Low	62.7	Low	218 Å²	218	96.2 Å²	96.2	86%	0.855	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-54.5	133.2	174.9	-64.7	-82.6	0	0	0	110
68	P	54.7	Low	62	Low	35 Å²	35	98.6 Å²	98.6	23%	0.227	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-66.8	146.5	-177.1	13.1	-11.7	0	0	0	111	M72 Y77	P68-M72 HydrophobicContact CB-CB 4.19Å; P68-M72 HydrophobicContact CB-CE 3.48Å; P68-M72 VanDerWaalsContact CB-CE 3.48Å; P68-M72 HydrophobicContact CB-SD 3.57Å; P68-M72 VanDerWaalsContact CB-SD 3.57Å; P68-M72 HydrophobicContact CG-CE 4.31Å; P68-M72 HydrophobicContact CG-SD 3.9Å; P68-Y77 HydrophobicContact CB-CD2 4.42Å; P68-Y77 HydrophobicContact CG-CD2 3.27Å; P68-Y77 HydrophobicContact CG-CE2 3.28Å; P68-Y77 HydrophobicContact CG-CG 4.45Å
69	P	55.4	Low	61.8	Low	60 Å²	60	95.6 Å²	95.6	39%	0.39	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-59.2	144.5	171.5	24.4	-30.8	0	0	0	109.8	M40 S71 M72	M40-P69 HydrophobicContact CE-CG 3.25Å; M40-P69 WeakPolarHBondContact SD-CD 3.43Å; M40-P69 HydrophobicContact SD-CG 4.01Å; P69-S71 PolarHBondContact O-N 3.18Å; P69-M72 PolarHBondContact O-N 3.12Å; P69-M72 VanDerWaalsContact O-N 3.08Å
70	F	53.8	Low	61.5	Low	224 Å²	224	89.2 Å²	89.2	98%	0.982	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-8.3	-175.4	-70.2	-84.4	0	0	0	115.8
71	S	60.1	Low	61.2	Low	108 Å²	108	86.6 Å²	86.6	76%	0.755	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	4.1	178.9	67.7	0	0	0	0	114.5	P69 D73	P69-S71 PolarHBondContact O-N 3.18Å; S71-D73 PolarHBondContact O-N 3.47Å
72	M	63.2	Low	61.1	Low	27 Å²	27	88.2 Å²	88.2	13%	0.133	44%	0.435	C	S	.	.	S	Bend	trans	-72	128.8	179.2	-170.6	177.7	-86.8	0	0	110.1	I36 M40 P68 P69 Q74 V76 Y77	I36-M72 HydrophobicContact CG2-CE 3.35Å; M40-M72 HydrophobicContact CE-CE 4.05Å; P68-M72 HydrophobicContact CB-CB 4.19Å; P68-M72 HydrophobicContact CB-CE 3.48Å; P68-M72 VanDerWaalsContact CB-CE 3.48Å; P68-M72 HydrophobicContact CB-SD 3.57Å; P68-M72 VanDerWaalsContact CB-SD 3.57Å; P68-M72 HydrophobicContact CG-CE 4.31Å; P68-M72 HydrophobicContact CG-SD 3.9Å; P69-M72 PolarHBondContact O-N 3.12Å; P69-M72 VanDerWaalsContact O-N 3.08Å; M72-Q74 PolarHBondContact O-N 3.17Å; M72-V76 HydrophobicContact CG-CB 4.37Å; M72-V76 HydrophobicContact CG-CG1 4.49Å; M72-Y77 VanDerWaalsContact SD-CA 3.56Å; M72-Y77 HydrophobicContact SD-CD2 3.9Å; M72-Y77 HydrophobicContact SD-CG 4.3Å
73	D	68.5	Low	61.2	Low	63 Å²	63	84.8 Å²	84.8	34%	0.337	42%	0.418	S	S	.	.			trans	-54.4	128.5	169.5	-175.2	-33.5	0	0	0	108.5	R27 S71 E75 V76 Y77	R27-D73 IonicContact CZ-OD2 3.37Å; R27-D73 IonicContact NH1-OD2 2.94Å; R27-D73 PolarHBondContact NH1-OD2 3.34Å; R27-D73 IonicContact NH2-OD2 2.81Å; R27-D73 PolarHBondContact NH2-OD2 3.35Å; S71-D73 PolarHBondContact O-N 3.47Å; D73-E75 PolarHBondContact O-N 3.01Å; D73-E75 VanDerWaalsContact O-N 3.16Å; D73-E75 PolarHBondContact OD1-N 3.4Å; D73-V76 HydrophobicContact CB-CB 4.43Å; D73-V76 HydrophobicContact CB-CG2 4.07Å; D73-V76 PolarHBondContact O-N 3.13Å; D73-Y77 PolarHBondContact O-N 3.45Å
74	Q	68.1	Low	61.7	Low	146 Å²	146	81.2 Å²	81.2	68%	0.682	40%	0.398	S	S	*	.	H	α-helix	trans	-54.5	-36.3	-176.8	-73.1	-169	-20.9	0	0	111.5	M72 V76 Y77 W78	M72-Q74 PolarHBondContact O-N 3.17Å; Q74-V76 VanDerWaalsContact C-N 3.34Å; Q74-V76 PolarHBondContact O-N 3.37Å; Q74-Y77 PolarHBondContact O-N 3.4Å; Q74-W78 PolarHBondContact O-N 3.35Å
75	E	67.7	Low	62	Low	94 Å²	94	82.8 Å²	82.8	44%	0.439	41%	0.405	S	S	.	.	H	α-helix	trans	-65.4	-37.9	179.3	-66.1	-165.8	174.9	0	0	112.3	R23 L29 D73 M79	R23-E75 IonicContact CZ-OE2 3.5Å; R23-E75 IonicContact NH1-OE2 3.56Å; R23-E75 PolarHBondContact NH1-OE2 2.79Å; R23-E75 IonicContact NH2-OE2 2.71Å; R23-E75 PolarHBondContact NH2-OE2 3.02Å; L29-E75 HydrophobicContact CD1-CB 4.15Å; D73-E75 PolarHBondContact O-N 3.01Å; D73-E75 VanDerWaalsContact O-N 3.16Å; D73-E75 PolarHBondContact OD1-N 3.4Å; E75-M79 PolarHBondContact O-N 3.27Å; E75-M79 VanDerWaalsContact O-N 3.07Å
76	V	67.5	Low	62.4	Low	0 Å²	0	81 Å²	81	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-71.9	-35.5	178.3	-179.7	0	0	0	0	111.1	L29 W33 I36 M72 D73 Q74 M79 H80	L29-V76 HydrophobicContact CD2-CG2 4.28Å; W33-V76 HydrophobicContact CB-CG1 3.9Å; W33-V76 HydrophobicContact CG-CG1 4.49Å; I36-V76 HydrophobicContact CD1-CG1 3.79Å; M72-V76 HydrophobicContact CG-CB 4.37Å; M72-V76 HydrophobicContact CG-CG1 4.49Å; D73-V76 HydrophobicContact CB-CB 4.43Å; D73-V76 HydrophobicContact CB-CG2 4.07Å; D73-V76 PolarHBondContact O-N 3.13Å; Q74-V76 VanDerWaalsContact C-N 3.34Å; Q74-V76 PolarHBondContact O-N 3.37Å; V76-M79 PolarHBondContact O-N 2.9Å; V76-H80 PolarHBondContact O-N 3.42Å
77	Y	66.4	Low	62.7	Low	73 Å²	73	79.5 Å²	79.5	29%	0.286	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-49	174	177.8	-110.2	0	0	0	112.2	P68 M72 D73 Q74 M79 H80 L81	P68-Y77 HydrophobicContact CB-CD2 4.42Å; P68-Y77 HydrophobicContact CG-CD2 3.27Å; P68-Y77 HydrophobicContact CG-CE2 3.28Å; P68-Y77 HydrophobicContact CG-CG 4.45Å; M72-Y77 VanDerWaalsContact SD-CA 3.56Å; M72-Y77 HydrophobicContact SD-CD2 3.9Å; M72-Y77 HydrophobicContact SD-CG 4.3Å; D73-Y77 PolarHBondContact O-N 3.45Å; Q74-Y77 PolarHBondContact O-N 3.4Å; Y77-M79 VanDerWaalsContact C-N 3.28Å; Y77-M79 PolarHBondContact O-N 3.12Å; Y77-H80 WeakPolarHBondContact O-CB 3.48Å; Y77-H80 PolarHBondContact O-N 2.81Å; Y77-H80 VanDerWaalsContact O-N 3.12Å; Y77-L81 HydrophobicContact CD1-CD1 4.18Å; Y77-L81 HydrophobicContact CE1-CD1 3.45Å; Y77-L81 VanDerWaalsContact CE1-CD1 3.45Å; Y77-L81 HydrophobicContact CE1-CG 4.18Å; Y77-L81 HydrophobicContact CE2-CD1 4.4Å; Y77-L81 HydrophobicContact CE2-CG 4.35Å; Y77-L81 PolarHBondContact O-N 3.3Å
78	W	64	Low	63	Low	147 Å²	147	77.1 Å²	77.1	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-63.2	-36.7	178.9	-69.9	120.9	0	0	0	111.6	Q74 H80 L81 D82	Q74-W78 PolarHBondContact O-N 3.35Å; W78-H80 VanDerWaalsContact C-N 3.33Å; W78-H80 PolarHBondContact O-N 3.06Å; W78-L81 HydrophobicContact CE3-CD1 3.87Å; W78-L81 HydrophobicContact CZ3-CD1 3.81Å; W78-L81 PolarHBondContact O-N 2.86Å; W78-D82 WeakPolarHBondContact O-CB 3.34Å; W78-D82 PolarHBondContact O-N 3.03Å
79	M	68.1	Low	63.3	Low	4 Å²	4	80.4 Å²	80.4	2%	0.02	38%	0.383	C	S	.	.	H	α-helix	trans	-57.8	-45.3	172.1	-172.2	-166	-48.1	0	0	112.1	F8 L29 L30 W33 E75 V76 Y77 L81 D82 L83	F8-M79 HydrophobicContact CB-CE 4.11Å; F8-M79 HydrophobicContact CD1-CE 3.19Å; F8-M79 HydrophobicContact CD1-CG 3.98Å; F8-M79 HydrophobicContact CD1-SD 3.93Å; F8-M79 HydrophobicContact CE1-CB 4.04Å; F8-M79 HydrophobicContact CE1-CE 3.73Å; F8-M79 HydrophobicContact CE1-CG 3.56Å; F8-M79 HydrophobicContact CE1-SD 4.15Å; F8-M79 HydrophobicContact CG-CE 3.8Å; F8-M79 HydrophobicContact CG-SD 4.22Å; F8-M79 HydrophobicContact CZ-CG 3.9Å; L29-M79 HydrophobicContact CB-CE 3.12Å; L29-M79 HydrophobicContact CD1-CE 4.11Å; L29-M79 HydrophobicContact CG-CE 4.28Å; L29-M79 VanDerWaalsContact O-CE 3.32Å; L29-M79 WeakPolarHBondContact O-CE 3.41Å; L30-M79 HydrophobicContact CB-SD 4.46Å; L30-M79 HydrophobicContact CD1-SD 4.07Å; W33-M79 HydrophobicContact CB-SD 4.29Å; E75-M79 PolarHBondContact O-N 3.27Å; E75-M79 VanDerWaalsContact O-N 3.07Å; V76-M79 PolarHBondContact O-N 2.9Å; Y77-M79 VanDerWaalsContact C-N 3.28Å; Y77-M79 PolarHBondContact O-N 3.12Å; M79-L81 PolarHBondContact O-N 2.85Å; M79-D82 PolarHBondContact O-N 3.18Å; M79-L83 HydrophobicContact CG-CD1 4.42Å; M79-L83 WeakPolarHBondContact O-CB 3.43Å; M79-L83 PolarHBondContact O-N 3.01Å
80	H	65.9	Low	63.5	Low	29 Å²	29	80.4 Å²	80.4	13%	0.134	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-46.6	-180	-179.4	61	0	0	0	111.9	W33 V76 Y77 W78 L83 I84	W33-H80 AromaticContact CE2-ND1 3.67Å; W33-H80 AromaticContact CZ2-ND1 3.73Å; W33-H80 AromaticContact NE1-CG 3.55Å; W33-H80 AromaticContact NE1-ND1 3.06Å; W33-H80 PolarHBondContact NE1-ND1 2.95Å; V76-H80 PolarHBondContact O-N 3.42Å; Y77-H80 WeakPolarHBondContact O-CB 3.48Å; Y77-H80 PolarHBondContact O-N 2.81Å; Y77-H80 VanDerWaalsContact O-N 3.12Å; W78-H80 VanDerWaalsContact C-N 3.33Å; W78-H80 PolarHBondContact O-N 3.06Å; H80-L83 PolarHBondContact O-N 2.79Å; H80-I84 WeakPolarHBondContact CE1-CD1 3.16Å; H80-I84 VanDerWaalsContact NE2-CD1 3.26Å; H80-I84 WeakPolarHBondContact NE2-CD1 3.34Å; H80-I84 WeakPolarHBondContact O-CG1 3.47Å; H80-I84 PolarHBondContact O-N 3.07Å
81	L	63.3	Low	63.7	Low	46 Å²	46	71.6 Å²	71.6	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-44.7	177.4	-69.4	-176.6	0	0	0	111.9	Y77 W78 M79 L83 I84 Q85	Y77-L81 HydrophobicContact CD1-CD1 4.18Å; Y77-L81 HydrophobicContact CE1-CD1 3.45Å; Y77-L81 VanDerWaalsContact CE1-CD1 3.45Å; Y77-L81 HydrophobicContact CE1-CG 4.18Å; Y77-L81 HydrophobicContact CE2-CD1 4.4Å; Y77-L81 HydrophobicContact CE2-CG 4.35Å; Y77-L81 PolarHBondContact O-N 3.3Å; W78-L81 HydrophobicContact CE3-CD1 3.87Å; W78-L81 HydrophobicContact CZ3-CD1 3.81Å; W78-L81 PolarHBondContact O-N 2.86Å; M79-L81 PolarHBondContact O-N 2.85Å; L81-L83 PolarHBondContact O-N 3.46Å; L81-I84 PolarHBondContact O-N 3.47Å; L81-Q85 WeakPolarHBondContact O-CB 3.25Å; L81-Q85 WeakPolarHBondContact O-CG 2.94Å; L81-Q85 PolarHBondContact O-N 2.97Å
82	D	63.6	Low	63.7	Low	68 Å²	68	71.4 Å²	71.4	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-41.8	178	-90.6	11.4	0	0	0	111.9	W78 M79 Q85 K86	W78-D82 WeakPolarHBondContact O-CB 3.34Å; W78-D82 PolarHBondContact O-N 3.03Å; M79-D82 PolarHBondContact O-N 3.18Å; D82-Q85 PolarHBondContact O-N 3.19Å; D82-K86 VanDerWaalsContact O-CB 3.29Å; D82-K86 WeakPolarHBondContact O-CB 3.36Å; D82-K86 VanDerWaalsContact O-CG 3.22Å; D82-K86 WeakPolarHBondContact O-CG 3.37Å; D82-K86 PolarHBondContact O-N 2.93Å
83	L	62.4	Low	63.4	Low	36 Å²	36	72.6 Å²	72.6	19%	0.188	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-45.1	178.2	-131.5	93	0	0	0	110.8	M79 H80 L81 K86 Q87	M79-L83 HydrophobicContact CG-CD1 4.42Å; M79-L83 WeakPolarHBondContact O-CB 3.43Å; M79-L83 PolarHBondContact O-N 3.01Å; H80-L83 PolarHBondContact O-N 2.79Å; L81-L83 PolarHBondContact O-N 3.46Å; L83-K86 PolarHBondContact O-N 3.01Å; L83-Q87 WeakPolarHBondContact O-CB 3.41Å; L83-Q87 VanDerWaalsContact O-CG 3.23Å; L83-Q87 WeakPolarHBondContact O-CG 3.38Å; L83-Q87 PolarHBondContact O-N 3.07Å
84	I	63.6	Low	62.6	Low	56 Å²	56	71.9 Å²	71.9	29%	0.287	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-47.7	177.2	-71.6	170.1	0	0	0	110.8	H80 L81 Q87 R88	H80-I84 WeakPolarHBondContact CE1-CD1 3.16Å; H80-I84 VanDerWaalsContact NE2-CD1 3.26Å; H80-I84 WeakPolarHBondContact NE2-CD1 3.34Å; H80-I84 WeakPolarHBondContact O-CG1 3.47Å; H80-I84 PolarHBondContact O-N 3.07Å; L81-I84 PolarHBondContact O-N 3.47Å; I84-Q87 PolarHBondContact O-N 3.08Å; I84-R88 WeakPolarHBondContact O-CB 3.36Å; I84-R88 PolarHBondContact O-N 2.77Å
85	Q	62.2	Low	61.8	Low	115 Å²	115	69.7 Å²	69.7	54%	0.537	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-43.7	180	-74.2	-173.7	9.9	0	0	111.5	L81 D82 R88 I89	L81-Q85 WeakPolarHBondContact O-CB 3.25Å; L81-Q85 WeakPolarHBondContact O-CG 2.94Å; L81-Q85 PolarHBondContact O-N 2.97Å; D82-Q85 PolarHBondContact O-N 3.19Å; Q85-R88 PolarHBondContact O-N 2.97Å; Q85-I89 WeakPolarHBondContact O-CG1 3.39Å; Q85-I89 PolarHBondContact O-N 3.09Å
86	K	62.1	Low	60.8	Low	82 Å²	82	72.5 Å²	72.5	36%	0.357	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-46	176.7	-75.9	172.1	-175.3	170	0	111.7	D82 L83 R88 I89 D90	D82-K86 VanDerWaalsContact O-CB 3.29Å; D82-K86 WeakPolarHBondContact O-CB 3.36Å; D82-K86 VanDerWaalsContact O-CG 3.22Å; D82-K86 WeakPolarHBondContact O-CG 3.37Å; D82-K86 PolarHBondContact O-N 2.93Å; L83-K86 PolarHBondContact O-N 3.01Å; K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 3.16Å; K86-I89 PolarHBondContact O-N 3.33Å; K86-D90 WeakPolarHBondContact O-CB 3.45Å; K86-D90 PolarHBondContact O-N 2.8Å
87	Q	60.2	Low	59.9	Low	39 Å²	39	79.9 Å²	79.9	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-37.8	176.4	-74.4	176	-2.7	0	0	111.9	F53 L83 I84 S91	F53-Q87 HydrophobicContact CE2-CB 4.42Å; L83-Q87 WeakPolarHBondContact O-CB 3.41Å; L83-Q87 VanDerWaalsContact O-CG 3.23Å; L83-Q87 WeakPolarHBondContact O-CG 3.38Å; L83-Q87 PolarHBondContact O-N 3.07Å; I84-Q87 PolarHBondContact O-N 3.08Å; Q87-S91 WeakPolarHBondContact O-CB 3.23Å; Q87-S91 PolarHBondContact O-N 3.33Å
88	R	61.7	Low	59.1	Low	168 Å²	168	82.8 Å²	82.8	63%	0.634	41%	0.41	S	S	*	.	H	α-helix	trans	-67.2	-39.8	174.9	-171.2	-179.9	-176.5	-176.8	2.4	112.8	I84 Q85 K86 S91 Q92	I84-R88 WeakPolarHBondContact O-CB 3.36Å; I84-R88 PolarHBondContact O-N 2.77Å; Q85-R88 PolarHBondContact O-N 2.97Å; K86-R88 VanDerWaalsContact C-N 3.27Å; K86-R88 PolarHBondContact O-N 3.16Å; R88-S91 PolarHBondContact O-OG 3Å; R88-Q92 VanDerWaalsContact O-CG 3.32Å; R88-Q92 WeakPolarHBondContact O-CG 3.03Å; R88-Q92 PolarHBondContact O-N 3.26Å
89	I	62	Low	58.3	Low	103 Å²	103	83.4 Å²	83.4	53%	0.528	42%	0.418	S	S	.	.	H	α-helix	trans	-68.1	-45.4	177	-68.5	164.9	0	0	0	110.4	Q85 K86 S91 Q92 A93	Q85-I89 WeakPolarHBondContact O-CG1 3.39Å; Q85-I89 PolarHBondContact O-N 3.09Å; K86-I89 PolarHBondContact O-N 3.33Å; I89-S91 VanDerWaalsContact C-N 3.3Å; I89-S91 PolarHBondContact O-N 3.2Å; I89-Q92 PolarHBondContact O-N 3.01Å; I89-A93 WeakPolarHBondContact O-CB 3.24Å; I89-A93 PolarHBondContact O-N 3.09Å
90	D	59.3	Low	56.9	Low	60 Å²	60	98 Å²	98	32%	0.321	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-34.7	-179.3	-80.5	-18.8	0	0	0	111.8	K86 A93 T94	K86-D90 WeakPolarHBondContact O-CB 3.45Å; K86-D90 PolarHBondContact O-N 2.8Å; D90-A93 PolarHBondContact O-N 2.98Å; D90-T94 PolarHBondContact O-N 3.42Å; D90-T94 VanDerWaalsContact O-N 3.07Å; D90-T94 PolarHBondContact O-OG1 2.66Å
91	S	58.2	Low	56.5	Low	39 Å²	39	101.5 Å²	101.5	27%	0.273	49%	0.49	S	S	.	.	H	α-helix	trans	-67.8	-38.6	175.1	80.8	0	0	0	0	112.7	F53 Q87 R88 I89 T94 T95	F53-S91 VanDerWaalsContact CZ-CB 3.5Å; Q87-S91 WeakPolarHBondContact O-CB 3.23Å; Q87-S91 PolarHBondContact O-N 3.33Å; R88-S91 PolarHBondContact O-OG 3Å; I89-S91 VanDerWaalsContact C-N 3.3Å; I89-S91 PolarHBondContact O-N 3.2Å; S91-T94 PolarHBondContact O-OG1 2.83Å; S91-T95 PolarHBondContact O-N 2.75Å; S91-T95 PolarHBondContact O-OG1 3.21Å
92	Q	60.1	Low	56.1	Low	105 Å²	105	104.4 Å²	104.4	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-71.9	-37.2	176.2	-70.8	-178.1	-25.5	0	0	111.8	R88 I89 T95 Q96	R88-Q92 VanDerWaalsContact O-CG 3.32Å; R88-Q92 WeakPolarHBondContact O-CG 3.03Å; R88-Q92 PolarHBondContact O-N 3.26Å; I89-Q92 PolarHBondContact O-N 3.01Å; Q92-T95 PolarHBondContact O-N 3.22Å; Q92-Q96 PolarHBondContact O-N 2.71Å
93	A	56.3	Low	55.7	Low	52 Å²	52	106.4 Å²	106.4	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-67.5	-39.9	178	0	0	0	0	0	112.5	I89 D90 T95 Q96 Q97	I89-A93 WeakPolarHBondContact O-CB 3.24Å; I89-A93 PolarHBondContact O-N 3.09Å; D90-A93 PolarHBondContact O-N 2.98Å; A93-T95 VanDerWaalsContact C-N 3.34Å; A93-Q96 PolarHBondContact O-N 2.81Å; A93-Q97 PolarHBondContact O-N 3.5Å
94	T	52.5	Low	55.3	Low	47 Å²	47	110.5 Å²	110.5	29%	0.288	53%	0.53	S	S	.	.	H	α-helix	trans	-70.6	-29.3	175.8	30.2	0	0	0	0	113	D90 S91 Q96 Q97	D90-T94 PolarHBondContact O-N 3.42Å; D90-T94 VanDerWaalsContact O-N 3.07Å; D90-T94 PolarHBondContact O-OG1 2.66Å; S91-T94 PolarHBondContact O-OG1 2.83Å; T94-Q96 VanDerWaalsContact C-N 3.32Å; T94-Q96 PolarHBondContact O-N 2.94Å; T94-Q97 PolarHBondContact O-N 3.31Å
95	T	51.3	Low	54.8	Low	100 Å²	100	113.9 Å²	113.9	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-67.6	-31.7	174.8	-53.3	0	0	0	0	112	S91 Q92 A93	S91-T95 PolarHBondContact O-N 2.75Å; S91-T95 PolarHBondContact O-OG1 3.21Å; Q92-T95 PolarHBondContact O-N 3.22Å; A93-T95 VanDerWaalsContact C-N 3.34Å
96	Q	46	Very low	54.3	Low	154 Å²	154	113.9 Å²	113.9	72%	0.72	55%	0.546	S	S	*	.	H	α-helix	trans	-80.6	-20.3	177.1	-70.1	-170.4	19.1	0	0	114.3	Q92 A93 T94	Q92-Q96 PolarHBondContact O-N 2.71Å; A93-Q96 PolarHBondContact O-N 2.81Å; T94-Q96 VanDerWaalsContact C-N 3.32Å; T94-Q96 PolarHBondContact O-N 2.94Å
97	Q	48	Very low	53.7	Low	155 Å²	155	116.1 Å²	116.1	72%	0.724	56%	0.56	S	S	*	*	H	α-helix	trans	-84.5	-13.1	177.8	-87.6	-173.5	-29.3	0	0	114.8	A93 T94	A93-Q97 PolarHBondContact O-N 3.5Å; T94-Q97 PolarHBondContact O-N 3.31Å
98	N	50.7	Low	53.2	Low	133 Å²	133	122.1 Å²	122.1	71%	0.711	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	12.8	178	-76	-14.3	0	0	0	113.9
99	H	47.2	Very low	52.5	Low	160 Å²	160	118.3 Å²	118.3	74%	0.741	59%	0.585	S	S	*	*			trans	-119.8	45.7	178.8	-92.9	-139.1	0	0	0	111.8
100	W	38.9	Very low	51.7	Low	311 Å²	311	119.6 Å²	119.6	100%	1.178	59%	0.59	S	S	*	*			trans	-147.6	0	164.9	-71.4	98.2	0	0	0	110.7

Retrieved 100 of 100 residues in 89.7 ms (Link to these results)

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