A0A087YSH3_POEFO Loading...

Zinc finger protein 648

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087YSH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	Q	51	Low	58.9	Low	212 Å²	212	110.7 Å²	110.7	99%	0.991	60%	0.598	S	S	*	*				0	-25.5	0	-142.1	152.8	-5.7	0	0	114.1
2	S	55.2	Low	60.8	Low	87 Å²	87	108.2 Å²	108.2	61%	0.608	59%	0.591	S	S	*	*			trans	-78.7	-22.5	-179.5	52.6	0	0	0	0	116.6
3	H	56.3	Low	62.8	Low	136 Å²	136	104.1 Å²	104.1	63%	0.63	57%	0.565	S	S	*	*	S	Bend	trans	-78.6	-20.1	-179.8	-176.5	64.7	0	0	0	113.8	T6	H3-T6 PolarHBondContact O-OG1 2.86Å
4	L	48	Very low	64.6	Low	126 Å²	126	102.4 Å²	102.4	66%	0.66	56%	0.56	S	S	*	*	S	Bend	trans	-81.5	-21.1	-178.1	-69.6	164.1	0	0	0	112.9	T6 S8	L4-T6 VanDerWaalsContact C-N 3.31Å; L4-T6 PolarHBondContact O-N 3.33Å; L4-S8 PolarHBondContact O-OG 3.39Å
5	Q	54.5	Low	66.4	Low	72 Å²	72	95.7 Å²	95.7	34%	0.336	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.8	177.4	-119.4	83.4	15.6	0	0	113.4	H7 S8	Q5-H7 VanDerWaalsContact C-N 3.35Å; Q5-S8 PolarHBondContact O-OG 3.39Å
6	T	51.6	Low	67.9	Low	76 Å²	76	97.1 Å²	97.1	47%	0.466	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-21	-179.5	40	0	0	0	0	113.4	H3 L4	H3-T6 PolarHBondContact O-OG1 2.86Å; L4-T6 VanDerWaalsContact C-N 3.31Å; L4-T6 PolarHBondContact O-N 3.33Å
7	H	55.6	Low	69.2	Low	150 Å²	150	97.4 Å²	97.4	69%	0.694	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-20.9	179.2	-70.2	-73.5	0	0	0	113.8	Q5	Q5-H7 VanDerWaalsContact C-N 3.35Å
8	S	61.1	Low	70.4	Confident	65 Å²	65	95.1 Å²	95.1	46%	0.455	52%	0.521	S	S	.	.	S	Bend	trans	-93.6	-3.9	-174	40.9	0	0	0	0	114.4	L4 Q5 L10	L4-S8 PolarHBondContact O-OG 3.39Å; Q5-S8 PolarHBondContact O-OG 3.39Å; S8-L10 PolarHBondContact O-N 3Å
9	G	64.4	Low	71.3	Confident	61 Å²	61	92.7 Å²	92.7	63%	0.629	52%	0.521	S	S	*	.			trans	68.6	-0.8	179.1	0	0	0	0	0	115.1	K11	G9-K11 PolarHBondContact O-N 3.25Å
10	L	69.2	Low	72.2	Confident	105 Å²	105	94.1 Å²	94.1	55%	0.55	52%	0.521	S	S	.	.			trans	-68.4	122.5	180	-65.7	173.2	0	0	0	110.2	S8 P12	S8-L10 PolarHBondContact O-N 3Å; L10-P12 VanDerWaalsContact C-CD 3.42Å; L10-P12 VanDerWaalsContact O-CD 3.26Å; L10-P12 WeakPolarHBondContact O-CD 3.25Å
11	K	80.5	Confident	73.1	Confident	128 Å²	128	91.3 Å²	91.3	56%	0.557	51%	0.511	S	S	*	.			trans	-117.8	73.4	178.9	-70.1	172.6	174.8	-175.2	0	109.7	G9 H13 A21 Y22	G9-K11 PolarHBondContact O-N 3.25Å; K11-H13 PolarHBondContact O-N 3.42Å; K11-A21 HydrophobicContact CB-CB 3.56Å; K11-A21 HydrophobicContact CD-CB 4.22Å; K11-A21 WeakPolarHBondContact CD-O 3.33Å; K11-Y22 CarbonylContact C-O 3.58Å; K11-Y22 VanDerWaalsContact C-O 3.27Å; K11-Y22 VanDerWaalsContact CA-O 3.3Å; K11-Y22 WeakPolarHBondContact CA-O 3.37Å
12	P	82	Confident	74.8	Confident	80 Å²	80	83.6 Å²	83.6	52%	0.519	47%	0.473	S	S	.	.			trans	-70.9	-16.1	-171.6	27.6	-33.7	0	0	0	113.6	L10	L10-P12 VanDerWaalsContact C-CD 3.42Å; L10-P12 VanDerWaalsContact O-CD 3.26Å; L10-P12 WeakPolarHBondContact O-CD 3.25Å
13	H	87	Confident	76.3	Confident	55 Å²	55	81.1 Å²	81.1	26%	0.255	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	102	-175.5	-57.5	-76.7	0	0	0	110.8	K11 A21 Y22 Q25 L28	K11-H13 PolarHBondContact O-N 3.42Å; H13-A21 CarbonylContact O-C 3.54Å; H13-A21 WeakPolarHBondContact O-CA 3.42Å; H13-Y22 WeakPolarHBondContact CB-O 3.15Å; H13-Y22 PolarHBondContact N-O 3.25Å; H13-Y22 VanDerWaalsContact N-O 3.12Å; H13-Y22 PolarHBondContact O-N 3.46Å; H13-Q25 PolarHBondContact CD2-N 3Å; H13-Q25 VanDerWaalsContact CD2-N 3.3Å; H13-Q25 PolarHBondContact ND1-OE1 3.1Å; H13-Q25 PolarHBondContact NE2-N 3.12Å; H13-L28 HydrophobicContact CB-CB 4.13Å; H13-L28 HydrophobicContact CB-CD2 3.83Å
14	V	87.6	Confident	77.8	Confident	81 Å²	81	77.7 Å²	77.7	49%	0.491	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	138.2	-176.6	-172.7	0	0	0	0	111.2	D16 K20 A21 L28	V14-D16 PolarHBondContact O-N 3.3Å; V14-K20 CarbonylContact C-O 3.27Å; V14-A21 HydrophobicContact CG2-CB 4.08Å; V14-L28 WeakPolarHBondContact O-CD2 3.19Å
15	C	91.8	Very high	79.6	Confident	2 Å²	2	76 Å²	76	1%	0.014	43%	0.428	C	S	.	.			trans	-75.2	121.6	170.6	-177.5	0	0	0	0	110.3	I17 G19 K20 Y22 L28	C15-I17 PolarHBondContact O-N 3.21Å; C15-I17 PolarHBondContact SG-N 3.06Å; C15-I17 VanDerWaalsContact SG-N 3.42Å; C15-G19 WeakPolarHBondContact O-CA 3.49Å; C15-G19 PolarHBondContact O-N 3.32Å; C15-K20 WeakPolarHBondContact CB-O 3.39Å; C15-K20 PolarHBondContact N-O 2.92Å; C15-Y22 HydrophobicContact CB-CE2 4.46Å; C15-L28 HydrophobicContact CB-CD1 3.62Å
16	D	89.9	Confident	81.2	Confident	117 Å²	117	75.1 Å²	75.1	63%	0.626	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.1	172.3	46.4	-15.7	0	0	0	114.1	V14 K32	V14-D16 PolarHBondContact O-N 3.3Å; D16-K32 WeakPolarHBondContact OD1-CE 3.25Å; D16-K32 IonicContact OD1-NZ 2.98Å; D16-K32 PolarHBondContact OD1-NZ 2.85Å; D16-K32 IonicContact OD2-NZ 3.98Å; D16-K32 PolarHBondContact OD2-NZ 3.08Å
17	I	89.9	Confident	82.9	Confident	103 Å²	103	74.1 Å²	74.1	53%	0.528	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-38.6	-174.5	-56.5	171.6	0	0	0	112.5	C15 H35	C15-I17 PolarHBondContact O-N 3.21Å; C15-I17 PolarHBondContact SG-N 3.06Å; C15-I17 VanDerWaalsContact SG-N 3.42Å; I17-H35 HydrophobicContact CD1-CB 3.45Å; I17-H35 VanDerWaalsContact CD1-CB 3.45Å; I17-H35 HydrophobicContact CG2-CB 4.4Å; I17-H35 WeakPolarHBondContact CG2-ND1 3.33Å
18	C	92.1	Very high	84.5	Confident	56 Å²	56	67.3 Å²	67.3	38%	0.378	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	6.4	-175.5	73	0	0	0	0	115.2	K20 H31 H35	C18-K20 PolarHBondContact O-N 3.01Å; C18-K20 VanDerWaalsContact O-N 3.11Å; C18-H31 PolarHBondContact SG-NE2 3.11Å; C18-H35 PolarHBondContact SG-NE2 3.15Å; C18-H35 VanDerWaalsContact SG-NE2 3.44Å
19	G	87.2	Confident	85.8	Confident	50 Å²	50	68.5 Å²	68.5	52%	0.515	40%	0.399	S	S	.	.			trans	69.9	3.4	177.1	0	0	0	0	0	115.2	C15 A21	C15-G19 WeakPolarHBondContact O-CA 3.49Å; C15-G19 PolarHBondContact O-N 3.32Å; G19-A21 PolarHBondContact O-N 3.46Å
20	K	89.3	Confident	87	Confident	120 Å²	120	69.3 Å²	69.3	52%	0.522	39%	0.387	S	S	.	.			trans	-70.4	131.3	-179.8	-74	-179	-177.6	174.4	0	111.3	V14 C15 C18 Y22	V14-K20 CarbonylContact C-O 3.27Å; C15-K20 WeakPolarHBondContact CB-O 3.39Å; C15-K20 PolarHBondContact N-O 2.92Å; C18-K20 PolarHBondContact O-N 3.01Å; C18-K20 VanDerWaalsContact O-N 3.11Å; K20-Y22 HydrophobicContact CB-CE2 3.72Å; K20-Y22 WeakPolarHBondContact O-CD2 3.47Å; K20-Y22 VanDerWaalsContact O-CE2 3.24Å; K20-Y22 WeakPolarHBondContact O-CE2 3.3Å
21	A	90.1	Very high	88	Confident	36 Å²	36	65 Å²	65	30%	0.298	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	143.4	-179	0	0	0	0	0	112.4	K11 H13 V14 G19	K11-A21 HydrophobicContact CB-CB 3.56Å; K11-A21 HydrophobicContact CD-CB 4.22Å; K11-A21 WeakPolarHBondContact CD-O 3.33Å; H13-A21 CarbonylContact O-C 3.54Å; H13-A21 WeakPolarHBondContact O-CA 3.42Å; V14-A21 HydrophobicContact CG2-CB 4.08Å; G19-A21 PolarHBondContact O-N 3.46Å
22	Y	88	Confident	88.5	Confident	50 Å²	50	61.3 Å²	61.3	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.2	-175.8	-61.8	-87.6	0	0	0	111.1	K11 H13 C15 K20 H24 L28 H31	K11-Y22 CarbonylContact C-O 3.58Å; K11-Y22 VanDerWaalsContact C-O 3.27Å; K11-Y22 VanDerWaalsContact CA-O 3.3Å; K11-Y22 WeakPolarHBondContact CA-O 3.37Å; H13-Y22 WeakPolarHBondContact CB-O 3.15Å; H13-Y22 PolarHBondContact N-O 3.25Å; H13-Y22 VanDerWaalsContact N-O 3.12Å; H13-Y22 PolarHBondContact O-N 3.46Å; C15-Y22 HydrophobicContact CB-CE2 4.46Å; K20-Y22 HydrophobicContact CB-CE2 3.72Å; K20-Y22 WeakPolarHBondContact O-CD2 3.47Å; K20-Y22 VanDerWaalsContact O-CE2 3.24Å; K20-Y22 WeakPolarHBondContact O-CE2 3.3Å; Y22-H24 VanDerWaalsContact C-N 3.32Å; Y22-L28 HydrophobicContact CD2-CB 3.91Å; Y22-L28 HydrophobicContact CD2-CD1 3.69Å; Y22-L28 HydrophobicContact CD2-CG 4.39Å; Y22-L28 HydrophobicContact CE2-CD1 3.93Å; Y22-L28 HydrophobicContact CG-CB 4.18Å; Y22-H31 HydrophobicContact CE1-CB 4.05Å; Y22-H31 HydrophobicContact CE2-CB 4.01Å; Y22-H31 AromaticContact CE2-CD2 3.46Å; Y22-H31 VanDerWaalsContact CE2-CD2 3.46Å; Y22-H31 WeakPolarHBondContact CE2-CD2 3.33Å; Y22-H31 AromaticContact CE2-CG 3.74Å; Y22-H31 AromaticContact CZ-CD2 3.59Å; Y22-H31 AromaticContact CZ-CG 3.4Å; Y22-H31 AromaticContact CZ-ND1 3.91Å; Y22-H31 PolarHBondContact OH-CD2 3.22Å; Y22-H31 VanDerWaalsContact OH-CD2 3.25Å; Y22-H31 PolarHBondContact OH-CE1 3.43Å; Y22-H31 VanDerWaalsContact OH-CE1 3.3Å; Y22-H31 PolarHBondContact OH-ND1 2.76Å; Y22-H31 PolarHBondContact OH-NE2 2.98Å
23	S	86.4	Confident	89	Confident	34 Å²	34	60.2 Å²	60.2	24%	0.238	33%	0.333	C	S	.	.	S	Bend	trans	-75.6	-19.8	179.5	57.3	0	0	0	0	113.5
24	H	86.8	Confident	89.1	Confident	65 Å²	65	61.4 Å²	61.4	30%	0.301	34%	0.341	S	S	.	.	S	Bend	trans	-137.2	144.9	-177.9	-55.9	-60.5	0	0	0	111.2	Y22 G26 T27 L28	Y22-H24 VanDerWaalsContact C-N 3.32Å; H24-G26 VanDerWaalsContact C-N 3.29Å; H24-G26 PolarHBondContact O-N 2.88Å; H24-T27 PolarHBondContact O-N 3.46Å; H24-T27 PolarHBondContact O-OG1 2.91Å; H24-L28 PolarHBondContact O-N 3.26Å
25	Q	87.4	Confident	89.3	Confident	90 Å²	90	61 Å²	61	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-40.4	176.8	-175.3	65	4.4	0	0	112.2	H13 T27 L28 Q29	H13-Q25 PolarHBondContact CD2-N 3Å; H13-Q25 VanDerWaalsContact CD2-N 3.3Å; H13-Q25 PolarHBondContact ND1-OE1 3.1Å; H13-Q25 PolarHBondContact NE2-N 3.12Å; Q25-T27 VanDerWaalsContact C-N 3.31Å; Q25-T27 PolarHBondContact O-N 3.44Å; Q25-L28 WeakPolarHBondContact O-CB 3.43Å; Q25-L28 PolarHBondContact O-N 2.82Å; Q25-Q29 HydrophobicContact CG-CG 4.45Å; Q25-Q29 WeakPolarHBondContact O-CG 3.11Å; Q25-Q29 PolarHBondContact O-N 2.82Å
26	G	86.6	Confident	89.2	Confident	54 Å²	54	65.7 Å²	65.7	56%	0.557	36%	0.362	S	S	*	.	H	α-helix	trans	-62.4	-34.1	-179.5	0	0	0	0	0	114	H24 Q29 Q30	H24-G26 VanDerWaalsContact C-N 3.29Å; H24-G26 PolarHBondContact O-N 2.88Å; G26-Q29 PolarHBondContact O-N 2.86Å; G26-Q30 PolarHBondContact O-N 3.44Å
27	T	87.9	Confident	89.2	Confident	55 Å²	55	62.1 Å²	62.1	34%	0.337	35%	0.353	S	S	.	.	H	α-helix	trans	-75.5	-34.8	176.7	51.5	0	0	0	0	111.8	H24 Q25 Q30 H31	H24-T27 PolarHBondContact O-N 3.46Å; H24-T27 PolarHBondContact O-OG1 2.91Å; Q25-T27 VanDerWaalsContact C-N 3.31Å; Q25-T27 PolarHBondContact O-N 3.44Å; T27-Q30 PolarHBondContact O-N 3Å; T27-H31 WeakPolarHBondContact O-CB 3.43Å; T27-H31 PolarHBondContact O-N 3.16Å
28	L	90.1	Very high	89.2	Confident	7 Å²	7	62 Å²	62	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-46.2	169	172.7	61.5	0	0	0	111.4	H13 V14 C15 Y22 H24 Q25 Q30 H31 K32	H13-L28 HydrophobicContact CB-CB 4.13Å; H13-L28 HydrophobicContact CB-CD2 3.83Å; V14-L28 WeakPolarHBondContact O-CD2 3.19Å; C15-L28 HydrophobicContact CB-CD1 3.62Å; Y22-L28 HydrophobicContact CD2-CB 3.91Å; Y22-L28 HydrophobicContact CD2-CD1 3.69Å; Y22-L28 HydrophobicContact CD2-CG 4.39Å; Y22-L28 HydrophobicContact CE2-CD1 3.93Å; Y22-L28 HydrophobicContact CG-CB 4.18Å; H24-L28 PolarHBondContact O-N 3.26Å; Q25-L28 WeakPolarHBondContact O-CB 3.43Å; Q25-L28 PolarHBondContact O-N 2.82Å; L28-Q30 PolarHBondContact O-N 3.3Å; L28-H31 WeakPolarHBondContact O-CA 3.35Å; L28-H31 WeakPolarHBondContact O-CB 3.49Å; L28-H31 PolarHBondContact O-N 3.17Å; L28-H31 VanDerWaalsContact O-N 3.11Å; L28-K32 HydrophobicContact CD1-CG 4.47Å; L28-K32 PolarHBondContact O-N 2.98Å
29	Q	88.1	Confident	89.2	Confident	90 Å²	90	65.7 Å²	65.7	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-42.9	178.4	-67.1	-56.8	-27.2	0	0	112.2	Q25 G26 H31 K32	Q25-Q29 HydrophobicContact CG-CG 4.45Å; Q25-Q29 WeakPolarHBondContact O-CG 3.11Å; Q25-Q29 PolarHBondContact O-N 2.82Å; G26-Q29 PolarHBondContact O-N 2.86Å; Q29-H31 VanDerWaalsContact C-N 3.27Å; Q29-H31 PolarHBondContact O-N 3.36Å; Q29-K32 PolarHBondContact O-N 3.34Å
30	Q	88.7	Confident	89.5	Confident	78 Å²	78	66.2 Å²	66.2	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-37.1	173.2	-176.8	-179.8	80.4	0	0	111.9	G26 T27 L28 R33 W52	G26-Q30 PolarHBondContact O-N 3.44Å; T27-Q30 PolarHBondContact O-N 3Å; L28-Q30 PolarHBondContact O-N 3.3Å; Q30-R33 WeakPolarHBondContact O-CB 3.5Å; Q30-R33 WeakPolarHBondContact O-CG 3.41Å; Q30-R33 PolarHBondContact O-N 2.7Å; Q30-W52 VanDerWaalsContact CD-CD1 3.47Å
31	H	90.6	Very high	89.8	Confident	13 Å²	13	63.9 Å²	63.9	6%	0.06	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-39.5	175.9	166.1	64.6	0	0	0	112.4	C18 Y22 T27 L28 Q29 R33 L34 H35	C18-H31 PolarHBondContact SG-NE2 3.11Å; Y22-H31 HydrophobicContact CE1-CB 4.05Å; Y22-H31 HydrophobicContact CE2-CB 4.01Å; Y22-H31 AromaticContact CE2-CD2 3.46Å; Y22-H31 VanDerWaalsContact CE2-CD2 3.46Å; Y22-H31 WeakPolarHBondContact CE2-CD2 3.33Å; Y22-H31 AromaticContact CE2-CG 3.74Å; Y22-H31 AromaticContact CZ-CD2 3.59Å; Y22-H31 AromaticContact CZ-CG 3.4Å; Y22-H31 AromaticContact CZ-ND1 3.91Å; Y22-H31 PolarHBondContact OH-CD2 3.22Å; Y22-H31 VanDerWaalsContact OH-CD2 3.25Å; Y22-H31 PolarHBondContact OH-CE1 3.43Å; Y22-H31 VanDerWaalsContact OH-CE1 3.3Å; Y22-H31 PolarHBondContact OH-ND1 2.76Å; Y22-H31 PolarHBondContact OH-NE2 2.98Å; T27-H31 WeakPolarHBondContact O-CB 3.43Å; T27-H31 PolarHBondContact O-N 3.16Å; L28-H31 WeakPolarHBondContact O-CA 3.35Å; L28-H31 WeakPolarHBondContact O-CB 3.49Å; L28-H31 PolarHBondContact O-N 3.17Å; L28-H31 VanDerWaalsContact O-N 3.11Å; Q29-H31 VanDerWaalsContact C-N 3.27Å; Q29-H31 PolarHBondContact O-N 3.36Å; H31-R33 PolarHBondContact O-N 3.14Å; H31-L34 VanDerWaalsContact O-CB 3.3Å; H31-L34 WeakPolarHBondContact O-CB 3.45Å; H31-L34 WeakPolarHBondContact O-CG 3.2Å; H31-L34 PolarHBondContact O-N 2.74Å; H31-H35 AromaticContact CE1-NE2 3.72Å; H31-H35 AromaticContact NE2-CD2 3.93Å; H31-H35 AromaticContact NE2-NE2 3.39Å; H31-H35 PolarHBondContact NE2-NE2 3.36Å
32	K	90.3	Very high	90	Very high	52 Å²	52	69.7 Å²	69.7	23%	0.226	35%	0.353	C	S	.	.	H	α-helix	trans	-56.1	-24.9	177.9	-73.4	-166.3	178	-148.1	0	113.1	D16 L28 Q29 L34 H35 T36	D16-K32 WeakPolarHBondContact OD1-CE 3.25Å; D16-K32 IonicContact OD1-NZ 2.98Å; D16-K32 PolarHBondContact OD1-NZ 2.85Å; D16-K32 IonicContact OD2-NZ 3.98Å; D16-K32 PolarHBondContact OD2-NZ 3.08Å; L28-K32 HydrophobicContact CD1-CG 4.47Å; L28-K32 PolarHBondContact O-N 2.98Å; Q29-K32 PolarHBondContact O-N 3.34Å; K32-L34 PolarHBondContact O-N 3.01Å; K32-L34 VanDerWaalsContact O-N 3.17Å; K32-H35 WeakPolarHBondContact O-CB 3.25Å; K32-H35 PolarHBondContact O-N 3.1Å; K32-T36 PolarHBondContact O-N 3.28Å; K32-T36 VanDerWaalsContact O-N 3.07Å
33	R	92.3	Very high	90.3	Very high	57 Å²	57	67.4 Å²	67.4	22%	0.215	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-26.6	172.6	-59.1	-175.5	179.2	164.4	2	114.1	Q30 H31 H35 T36 G37 E38 I51	Q30-R33 WeakPolarHBondContact O-CB 3.5Å; Q30-R33 WeakPolarHBondContact O-CG 3.41Å; Q30-R33 PolarHBondContact O-N 2.7Å; H31-R33 PolarHBondContact O-N 3.14Å; R33-H35 PolarHBondContact O-N 3.21Å; R33-T36 WeakPolarHBondContact CA-OG1 3.43Å; R33-G37 WeakPolarHBondContact O-CA 3.41Å; R33-G37 PolarHBondContact O-N 2.95Å; R33-E38 HydrophobicContact CB-CB 4.36Å; R33-E38 HydrophobicContact CG-CB 4.33Å; R33-E38 IonicContact NE-OE2 2.88Å; R33-E38 PolarHBondContact O-N 3.11Å; R33-I51 HydrophobicContact CB-CG2 3.56Å; R33-I51 HydrophobicContact CG-CG2 4.5Å
34	L	90.3	Very high	90.7	Very high	80 Å²	80	72.8 Å²	72.8	42%	0.419	37%	0.37	S	S	.	.	H	α-helix	trans	-66.2	-30.2	173.7	-63.1	-177.3	0	0	0	112.1	H31 K32 I51 W52	H31-L34 VanDerWaalsContact O-CB 3.3Å; H31-L34 WeakPolarHBondContact O-CB 3.45Å; H31-L34 WeakPolarHBondContact O-CG 3.2Å; H31-L34 PolarHBondContact O-N 2.74Å; K32-L34 PolarHBondContact O-N 3.01Å; K32-L34 VanDerWaalsContact O-N 3.17Å; L34-I51 HydrophobicContact CD2-CD1 3.59Å; L34-I51 HydrophobicContact CD2-CG2 4.36Å; L34-W52 HydrophobicContact CD1-CZ2 4.35Å; L34-W52 HydrophobicContact CD2-CH2 4.13Å; L34-W52 HydrophobicContact CD2-CZ2 3.97Å; L34-W52 HydrophobicContact CG-CZ2 4.41Å
35	H	91.1	Very high	90.9	Very high	73 Å²	73	76 Å²	76	34%	0.338	38%	0.383	S	S	.	.	H	α-helix	trans	-87.8	-40.3	-179.7	-64.7	-63	0	0	0	112	I17 C18 H31 K32 R33 G37	I17-H35 HydrophobicContact CD1-CB 3.45Å; I17-H35 VanDerWaalsContact CD1-CB 3.45Å; I17-H35 HydrophobicContact CG2-CB 4.4Å; I17-H35 WeakPolarHBondContact CG2-ND1 3.33Å; C18-H35 PolarHBondContact SG-NE2 3.15Å; C18-H35 VanDerWaalsContact SG-NE2 3.44Å; H31-H35 AromaticContact CE1-NE2 3.72Å; H31-H35 AromaticContact NE2-CD2 3.93Å; H31-H35 AromaticContact NE2-NE2 3.39Å; H31-H35 PolarHBondContact NE2-NE2 3.36Å; K32-H35 WeakPolarHBondContact O-CB 3.25Å; K32-H35 PolarHBondContact O-N 3.1Å; R33-H35 PolarHBondContact O-N 3.21Å; H35-G37 VanDerWaalsContact C-N 3.3Å
36	T	90.3	Very high	91.3	Very high	99 Å²	99	73.5 Å²	73.5	61%	0.607	38%	0.375	S	S	*	.	H	α-helix	trans	-77.5	-17.5	179.2	61.8	0	0	0	0	113	K32 R33 E38	K32-T36 PolarHBondContact O-N 3.28Å; K32-T36 VanDerWaalsContact O-N 3.07Å; R33-T36 WeakPolarHBondContact CA-OG1 3.43Å; T36-E38 PolarHBondContact O-N 3.12Å; T36-E38 WeakPolarHBondContact OG1-CB 3.44Å; T36-E38 PolarHBondContact OG1-N 3.15Å
37	G	88.9	Confident	91.6	Very high	43 Å²	43	77.5 Å²	77.5	44%	0.443	38%	0.384	S	S	.	.			trans	73.8	9.2	-174.5	0	0	0	0	0	113.8	R33 H35 R39	R33-G37 WeakPolarHBondContact O-CA 3.41Å; R33-G37 PolarHBondContact O-N 2.95Å; H35-G37 VanDerWaalsContact C-N 3.3Å; G37-R39 WeakPolarHBondContact O-CG 3.26Å; G37-R39 PolarHBondContact O-N 3.18Å
38	E	91.9	Very high	92	Very high	100 Å²	100	80.6 Å²	80.6	47%	0.467	39%	0.393	S	S	.	.			trans	-61.1	123.5	178.4	-168.4	-163.2	160.3	0	0	110.6	R33 T36 P40	R33-E38 HydrophobicContact CB-CB 4.36Å; R33-E38 HydrophobicContact CG-CB 4.33Å; R33-E38 IonicContact NE-OE2 2.88Å; R33-E38 PolarHBondContact O-N 3.11Å; T36-E38 PolarHBondContact O-N 3.12Å; T36-E38 WeakPolarHBondContact OG1-CB 3.44Å; T36-E38 PolarHBondContact OG1-N 3.15Å; E38-P40 HydrophobicContact CG-CG 4.05Å; E38-P40 WeakPolarHBondContact O-CD 3.49Å; E38-P40 WeakPolarHBondContact OE1-CG 3.44Å
39	R	91.6	Very high	92.2	Very high	133 Å²	133	82.5 Å²	82.5	50%	0.502	41%	0.405	S	S	.	.			trans	-127	76.3	-177.6	-69.3	167.4	110.7	106.4	5.4	110.8	G37 Y41 T49 Y50 I51	G37-R39 WeakPolarHBondContact O-CG 3.26Å; G37-R39 PolarHBondContact O-N 3.18Å; R39-Y41 PolarHBondContact O-N 3.02Å; R39-Y41 VanDerWaalsContact O-N 3.12Å; R39-T49 VanDerWaalsContact CD-OG1 3.27Å; R39-T49 WeakPolarHBondContact CD-OG1 3.37Å; R39-T49 PolarHBondContact NE-O 3.34Å; R39-T49 PolarHBondContact NE-OG1 2.88Å; R39-Y50 CarbonylContact C-O 3.27Å; R39-Y50 WeakPolarHBondContact CA-O 2.84Å; R39-I51 HydrophobicContact CG-CG1 3.66Å
40	P	92.9	Very high	92.5	Very high	61 Å²	61	80.3 Å²	80.3	40%	0.396	39%	0.393	S	S	.	.			trans	-64.3	-21.7	-170.5	-23.5	35.4	0	0	0	114.3	E38	E38-P40 HydrophobicContact CG-CG 4.05Å; E38-P40 WeakPolarHBondContact O-CD 3.49Å; E38-P40 WeakPolarHBondContact OE1-CG 3.44Å
41	Y	95.4	Very high	92.7	Very high	72 Å²	72	77.7 Å²	77.7	28%	0.282	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	96.9	-172.2	-53.7	-76.9	0	0	0	110.6	R39 T49 Y50 I51 W52 Y56	R39-Y41 PolarHBondContact O-N 3.02Å; R39-Y41 VanDerWaalsContact O-N 3.12Å; Y41-T49 CarbonylContact O-C 3.52Å; Y41-T49 WeakPolarHBondContact O-CA 3.44Å; Y41-Y50 WeakPolarHBondContact CD2-O 3.3Å; Y41-Y50 PolarHBondContact N-O 3.39Å; Y41-Y50 PolarHBondContact O-N 3.41Å; Y41-I51 WeakPolarHBondContact CE2-O 3.44Å; Y41-W52 VanDerWaalsContact CD2-C 3.44Å; Y41-Y56 HydrophobicContact CD1-CD1 4.43Å
42	R	94.9	Very high	92.8	Very high	157 Å²	157	81.2 Å²	81.2	59%	0.592	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.1	177.4	-178.9	171	-178.7	158.8	4	111.5	D47 T49 Y56	R42-D47 IonicContact NH2-OD1 3.91Å; R42-T49 HydrophobicContact CB-CG2 4.12Å; R42-T49 HydrophobicContact CG-CG2 4.07Å; R42-Y56 VanDerWaalsContact O-CE2 3.32Å; R42-Y56 WeakPolarHBondContact O-CE2 3.44Å
43	C	95	Very high	93	Very high	3 Å²	3	80.8 Å²	80.8	2%	0.02	40%	0.398	C	S	.	.			trans	-73.7	134.9	169.9	-172.2	0	0	0	0	111.8	F45 C46 K48 Y56 H59 H63	C43-F45 PolarHBondContact SG-N 3.4Å; C43-F45 VanDerWaalsContact SG-N 3.43Å; C43-C46 CarbonylContact C-O 3.26Å; C43-C46 WeakPolarHBondContact CB-O 3.24Å; C43-K48 VanDerWaalsContact CB-O 3.28Å; C43-K48 WeakPolarHBondContact CB-O 3.45Å; C43-K48 PolarHBondContact N-O 3.18Å; C43-Y56 HydrophobicContact CB-CE2 4.42Å; C43-H59 PolarHBondContact SG-NE2 3.38Å; C43-H63 PolarHBondContact SG-NE2 3.29Å; C43-H63 VanDerWaalsContact SG-NE2 3.44Å
44	L	93.3	Very high	92.9	Very high	146 Å²	146	80.6 Å²	80.6	76%	0.764	41%	0.405	S	S	*	.	S	Bend	trans	-82.2	-16.9	177.7	-60.4	179	0	0	0	112.7
45	F	92.6	Very high	93.1	Very high	133 Å²	133	79.3 Å²	79.3	58%	0.583	40%	0.399	S	S	*	.	S	Bend	trans	-103	-9.1	-177.1	-54	-74	0	0	0	113.4	C43 I60 H63	C43-F45 PolarHBondContact SG-N 3.4Å; C43-F45 VanDerWaalsContact SG-N 3.43Å; F45-I60 HydrophobicContact CD2-CD1 3.94Å; F45-I60 HydrophobicContact CE2-CD1 4.07Å; F45-H63 HydrophobicContact CB-CB 4.32Å; F45-H63 HydrophobicContact CD2-CB 3.77Å; F45-H63 AromaticContact CD2-CD2 3.77Å; F45-H63 AromaticContact CD2-CG 3.84Å; F45-H63 HydrophobicContact CE2-CB 4.29Å; F45-H63 HydrophobicContact CG-CB 4.07Å; F45-H63 AromaticContact CG-CG 3.95Å
46	C	94.3	Very high	93.3	Very high	37 Å²	37	78.5 Å²	78.5	25%	0.25	39%	0.393	C	S	.	.	S	Bend	trans	-163	171.1	177.9	69.7	0	0	0	0	111.2	C43 K48 H59	C43-C46 CarbonylContact C-O 3.26Å; C43-C46 WeakPolarHBondContact CB-O 3.24Å; C46-K48 PolarHBondContact O-N 3.39Å; C46-H59 PolarHBondContact SG-NE2 3.38Å
47	D	94.1	Very high	93.4	Very high	138 Å²	138	81 Å²	81	74%	0.738	39%	0.391	S	S	*	.	S	Bend	trans	-76.6	10.8	-175	-58.5	-49.2	0	0	0	115.6	R42	R42-D47 IonicContact NH2-OD1 3.91Å
48	K	94.6	Very high	93.7	Very high	121 Å²	121	82.9 Å²	82.9	53%	0.526	39%	0.387	S	S	.	.			trans	-77.7	133.5	-177.9	-66.8	-177.7	-179	175.9	0	111.7	C43 C46 Y50	C43-K48 VanDerWaalsContact CB-O 3.28Å; C43-K48 WeakPolarHBondContact CB-O 3.45Å; C43-K48 PolarHBondContact N-O 3.18Å; C46-K48 PolarHBondContact O-N 3.39Å; K48-Y50 HydrophobicContact CB-CE2 3.8Å
49	T	95.8	Very high	93.8	Very high	47 Å²	47	78.8 Å²	78.8	29%	0.288	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146	177.3	60.6	0	0	0	0	111.5	R39 Y41 R42	R39-T49 VanDerWaalsContact CD-OG1 3.27Å; R39-T49 WeakPolarHBondContact CD-OG1 3.37Å; R39-T49 PolarHBondContact NE-O 3.34Å; R39-T49 PolarHBondContact NE-OG1 2.88Å; Y41-T49 CarbonylContact O-C 3.52Å; Y41-T49 WeakPolarHBondContact O-CA 3.44Å; R42-T49 HydrophobicContact CB-CG2 4.12Å; R42-T49 HydrophobicContact CG-CG2 4.07Å
50	Y	94.3	Very high	94	Very high	44 Å²	44	73.9 Å²	73.9	17%	0.173	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.7	-171.2	-59.8	-93.6	0	0	0	111.1	R39 Y41 K48 D55 Y56 H59	R39-Y50 CarbonylContact C-O 3.27Å; R39-Y50 WeakPolarHBondContact CA-O 2.84Å; Y41-Y50 WeakPolarHBondContact CD2-O 3.3Å; Y41-Y50 PolarHBondContact N-O 3.39Å; Y41-Y50 PolarHBondContact O-N 3.41Å; K48-Y50 HydrophobicContact CB-CE2 3.8Å; Y50-D55 HydrophobicContact CD1-CB 3.89Å; Y50-Y56 AromaticContact CD2-CD2 3.98Å; Y50-Y56 HydrophobicContact CD2-CD2 3.98Å; Y50-Y56 HydrophobicContact CE2-CD2 4.47Å; Y50-H59 HydrophobicContact CE1-CB 4.01Å; Y50-H59 HydrophobicContact CE2-CB 3.87Å; Y50-H59 AromaticContact CE2-CD2 3.34Å; Y50-H59 WeakPolarHBondContact CE2-CD2 3.28Å; Y50-H59 AromaticContact CE2-CG 3.72Å; Y50-H59 VanDerWaalsContact CZ-CB 3.45Å; Y50-H59 AromaticContact CZ-CD2 3.56Å; Y50-H59 AromaticContact CZ-CG 3.44Å; Y50-H59 VanDerWaalsContact CZ-CG 3.44Å; Y50-H59 VanDerWaalsContact OH-CB 3.3Å; Y50-H59 WeakPolarHBondContact OH-CB 3.45Å; Y50-H59 PolarHBondContact OH-CD2 2.98Å; Y50-H59 PolarHBondContact OH-ND1 3.11Å
51	I	93.1	Very high	94.1	Very high	23 Å²	23	72.8 Å²	72.8	12%	0.118	34%	0.34	C	S	.	.	S	Bend	trans	-78.9	-33.4	177.3	-59.6	179.5	0	0	0	110.7	R33 L34 R39 Y41	R33-I51 HydrophobicContact CB-CG2 3.56Å; R33-I51 HydrophobicContact CG-CG2 4.5Å; L34-I51 HydrophobicContact CD2-CD1 3.59Å; L34-I51 HydrophobicContact CD2-CG2 4.36Å; R39-I51 HydrophobicContact CG-CG1 3.66Å; Y41-I51 WeakPolarHBondContact CE2-O 3.44Å
52	W	92.5	Very high	94.1	Very high	87 Å²	87	72.4 Å²	72.4	33%	0.33	35%	0.345	S	S	.	.	S	Bend	trans	-117.6	139.6	-176.9	-58.7	-50.8	0	0	0	112.4	Q30 L34 Y41 S54 D55 Y56	Q30-W52 VanDerWaalsContact CD-CD1 3.47Å; L34-W52 HydrophobicContact CD1-CZ2 4.35Å; L34-W52 HydrophobicContact CD2-CH2 4.13Å; L34-W52 HydrophobicContact CD2-CZ2 3.97Å; L34-W52 HydrophobicContact CG-CZ2 4.41Å; Y41-W52 VanDerWaalsContact CD2-C 3.44Å; W52-S54 VanDerWaalsContact C-N 3.25Å; W52-S54 PolarHBondContact O-N 3.23Å; W52-D55 VanDerWaalsContact CE3-OD2 3.31Å; W52-D55 PolarHBondContact O-N 3.22Å; W52-Y56 PolarHBondContact O-N 3.25Å; W52-Y56 VanDerWaalsContact O-N 3.13Å
53	S	93.1	Very high	94.1	Very high	43 Å²	43	68.6 Å²	68.6	30%	0.301	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-30.9	178.7	59.9	0	0	0	0	112.9	R57	S53-R57 WeakPolarHBondContact O-CB 3.4Å; S53-R57 PolarHBondContact O-N 2.85Å
54	S	91.8	Very high	94	Very high	53 Å²	53	72.3 Å²	72.3	37%	0.371	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-39.5	179.4	61	0	0	0	0	111.9	W52 K58	W52-S54 VanDerWaalsContact C-N 3.25Å; W52-S54 PolarHBondContact O-N 3.23Å; S54-K58 VanDerWaalsContact O-CG 3.25Å; S54-K58 WeakPolarHBondContact O-CG 3.45Å; S54-K58 PolarHBondContact O-N 3.36Å
55	D	93.2	Very high	93.9	Very high	52 Å²	52	67.5 Å²	67.5	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-75.1	-38.2	176.8	-71.5	-19.2	0	0	0	111.9	Y50 W52 R57 K58 H59	Y50-D55 HydrophobicContact CD1-CB 3.89Å; W52-D55 VanDerWaalsContact CE3-OD2 3.31Å; W52-D55 PolarHBondContact O-N 3.22Å; D55-R57 PolarHBondContact O-N 3.48Å; D55-K58 PolarHBondContact O-N 3.3Å; D55-K58 IonicContact OD1-NZ 3.69Å; D55-K58 PolarHBondContact OD1-NZ 3.34Å; D55-H59 WeakPolarHBondContact O-CB 3.44Å; D55-H59 PolarHBondContact O-N 3.06Å
56	Y	95.3	Very high	94.1	Very high	56 Å²	56	66 Å²	66	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-54.6	-50.5	168.5	171.5	-117.5	0	0	0	111.7	Y41 R42 C43 Y50 W52 K58 H59 I60	Y41-Y56 HydrophobicContact CD1-CD1 4.43Å; R42-Y56 VanDerWaalsContact O-CE2 3.32Å; R42-Y56 WeakPolarHBondContact O-CE2 3.44Å; C43-Y56 HydrophobicContact CB-CE2 4.42Å; Y50-Y56 AromaticContact CD2-CD2 3.98Å; Y50-Y56 HydrophobicContact CD2-CD2 3.98Å; Y50-Y56 HydrophobicContact CE2-CD2 4.47Å; W52-Y56 PolarHBondContact O-N 3.25Å; W52-Y56 VanDerWaalsContact O-N 3.13Å; Y56-K58 PolarHBondContact O-N 3.19Å; Y56-H59 WeakPolarHBondContact O-CA 3.44Å; Y56-H59 WeakPolarHBondContact O-CB 3.48Å; Y56-H59 PolarHBondContact O-N 3.18Å; Y56-I60 HydrophobicContact CD2-CG1 4.05Å; Y56-I60 HydrophobicContact CE1-CG1 4.17Å; Y56-I60 HydrophobicContact CE2-CD1 3.6Å; Y56-I60 HydrophobicContact CE2-CG1 3.47Å; Y56-I60 VanDerWaalsContact CE2-CG1 3.47Å; Y56-I60 WeakPolarHBondContact O-CG1 3.39Å; Y56-I60 PolarHBondContact O-N 3.49Å
57	R	93.6	Very high	94.1	Very high	153 Å²	153	68.4 Å²	68.4	58%	0.577	34%	0.343	S	S	*	.	H	α-helix	trans	-61.4	-43.7	178.4	-174.3	174.6	-67.7	117.7	-0.8	112.4	S53 D55 H59 I60 R61	S53-R57 WeakPolarHBondContact O-CB 3.4Å; S53-R57 PolarHBondContact O-N 2.85Å; D55-R57 PolarHBondContact O-N 3.48Å; R57-H59 PolarHBondContact O-N 3.21Å; R57-I60 PolarHBondContact O-N 3.36Å; R57-R61 PolarHBondContact O-N 2.88Å
58	K	93.8	Very high	94.1	Very high	81 Å²	81	64.6 Å²	64.6	35%	0.352	33%	0.326	S	S	.	.	H	α-helix	trans	-60.9	-34.5	174	-69.7	168.3	-152.7	157	0	111.9	S54 D55 Y56	S54-K58 VanDerWaalsContact O-CG 3.25Å; S54-K58 WeakPolarHBondContact O-CG 3.45Å; S54-K58 PolarHBondContact O-N 3.36Å; D55-K58 PolarHBondContact O-N 3.3Å; D55-K58 IonicContact OD1-NZ 3.69Å; D55-K58 PolarHBondContact OD1-NZ 3.34Å; Y56-K58 PolarHBondContact O-N 3.19Å
59	H	95.3	Very high	94.3	Very high	14 Å²	14	62.5 Å²	62.5	7%	0.065	32%	0.315	C	S	.	.	H	α-helix	trans	-71.6	-44.1	176.5	169	53.9	0	0	0	112.2	C43 C46 Y50 D55 Y56 R57 R61 T62 H63	C43-H59 PolarHBondContact SG-NE2 3.38Å; C46-H59 PolarHBondContact SG-NE2 3.38Å; Y50-H59 HydrophobicContact CE1-CB 4.01Å; Y50-H59 HydrophobicContact CE2-CB 3.87Å; Y50-H59 AromaticContact CE2-CD2 3.34Å; Y50-H59 WeakPolarHBondContact CE2-CD2 3.28Å; Y50-H59 AromaticContact CE2-CG 3.72Å; Y50-H59 VanDerWaalsContact CZ-CB 3.45Å; Y50-H59 AromaticContact CZ-CD2 3.56Å; Y50-H59 AromaticContact CZ-CG 3.44Å; Y50-H59 VanDerWaalsContact CZ-CG 3.44Å; Y50-H59 VanDerWaalsContact OH-CB 3.3Å; Y50-H59 WeakPolarHBondContact OH-CB 3.45Å; Y50-H59 PolarHBondContact OH-CD2 2.98Å; Y50-H59 PolarHBondContact OH-ND1 3.11Å; D55-H59 WeakPolarHBondContact O-CB 3.44Å; D55-H59 PolarHBondContact O-N 3.06Å; Y56-H59 WeakPolarHBondContact O-CA 3.44Å; Y56-H59 WeakPolarHBondContact O-CB 3.48Å; Y56-H59 PolarHBondContact O-N 3.18Å; R57-H59 PolarHBondContact O-N 3.21Å; H59-R61 PolarHBondContact O-N 3Å; H59-R61 VanDerWaalsContact O-N 3.12Å; H59-T62 PolarHBondContact ND1-OG1 3.42Å; H59-T62 WeakPolarHBondContact O-CB 3.39Å; H59-T62 WeakPolarHBondContact O-CG2 3.49Å; H59-T62 PolarHBondContact O-N 3.32Å; H59-T62 PolarHBondContact O-OG1 3.13Å; H59-H63 AromaticContact CE1-CD2 3.8Å; H59-H63 AromaticContact CE1-NE2 3.27Å; H59-H63 PolarHBondContact CE1-NE2 3.27Å; H59-H63 VanDerWaalsContact CE1-NE2 3.27Å; H59-H63 AromaticContact NE2-CD2 3.72Å; H59-H63 AromaticContact NE2-NE2 3.24Å; H59-H63 PolarHBondContact NE2-NE2 3.04Å
60	I	95.9	Very high	94.3	Very high	31 Å²	31	65.2 Å²	65.2	16%	0.159	33%	0.327	C	S	.	.	H	α-helix	trans	-56.1	-34.6	-179.6	-71.9	-68.1	0	0	0	112	F45 Y56 R57 T62 H63 T64	F45-I60 HydrophobicContact CD2-CD1 3.94Å; F45-I60 HydrophobicContact CE2-CD1 4.07Å; Y56-I60 HydrophobicContact CD2-CG1 4.05Å; Y56-I60 HydrophobicContact CE1-CG1 4.17Å; Y56-I60 HydrophobicContact CE2-CD1 3.6Å; Y56-I60 HydrophobicContact CE2-CG1 3.47Å; Y56-I60 VanDerWaalsContact CE2-CG1 3.47Å; Y56-I60 WeakPolarHBondContact O-CG1 3.39Å; Y56-I60 PolarHBondContact O-N 3.49Å; R57-I60 PolarHBondContact O-N 3.36Å; I60-T62 PolarHBondContact O-N 2.89Å; I60-T62 VanDerWaalsContact O-N 3.08Å; I60-H63 WeakPolarHBondContact O-CB 3.06Å; I60-H63 PolarHBondContact O-N 3.33Å; I60-T64 HydrophobicContact CG2-CG2 4.02Å; I60-T64 PolarHBondContact O-N 2.91Å; I60-T64 VanDerWaalsContact O-N 3.11Å
61	R	95.4	Very high	94.4	Very high	38 Å²	38	63.1 Å²	63.1	14%	0.143	32%	0.318	C	S	.	.	H	α-helix	trans	-57.1	-22.8	172.7	-66.4	-177	-177.6	156.6	2.2	114.8	R57 H59 H63 T64 G65 E66 I79	R57-R61 PolarHBondContact O-N 2.88Å; H59-R61 PolarHBondContact O-N 3Å; H59-R61 VanDerWaalsContact O-N 3.12Å; R61-H63 VanDerWaalsContact C-N 3.27Å; R61-T64 WeakPolarHBondContact CA-OG1 3.28Å; R61-G65 WeakPolarHBondContact O-CA 3.4Å; R61-G65 PolarHBondContact O-N 3.13Å; R61-E66 HydrophobicContact CG-CB 4.22Å; R61-E66 IonicContact NE-OE1 2.79Å; R61-E66 IonicContact NE-OE2 2.88Å; R61-I79 HydrophobicContact CB-CG2 3.53Å; R61-I79 HydrophobicContact CG-CG2 4.45Å; R61-I79 PolarHBondContact NH1-O 3.17Å
62	T	94.1	Very high	94.4	Very high	64 Å²	64	71.7 Å²	71.7	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-73.1	-21.9	174.4	71.2	0	0	0	0	112.9	H59 I60 I79	H59-T62 PolarHBondContact ND1-OG1 3.42Å; H59-T62 WeakPolarHBondContact O-CB 3.39Å; H59-T62 WeakPolarHBondContact O-CG2 3.49Å; H59-T62 PolarHBondContact O-N 3.32Å; H59-T62 PolarHBondContact O-OG1 3.13Å; I60-T62 PolarHBondContact O-N 2.89Å; I60-T62 VanDerWaalsContact O-N 3.08Å; T62-I79 HydrophobicContact CG2-CD1 3.9Å
63	H	94.5	Very high	94.4	Very high	77 Å²	77	72.3 Å²	72.3	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-90.8	-42.3	175.2	-65.9	-64.5	0	0	0	111.4	C43 F45 H59 I60 R61 G65	C43-H63 PolarHBondContact SG-NE2 3.29Å; C43-H63 VanDerWaalsContact SG-NE2 3.44Å; F45-H63 HydrophobicContact CB-CB 4.32Å; F45-H63 HydrophobicContact CD2-CB 3.77Å; F45-H63 AromaticContact CD2-CD2 3.77Å; F45-H63 AromaticContact CD2-CG 3.84Å; F45-H63 HydrophobicContact CE2-CB 4.29Å; F45-H63 HydrophobicContact CG-CB 4.07Å; F45-H63 AromaticContact CG-CG 3.95Å; H59-H63 AromaticContact CE1-CD2 3.8Å; H59-H63 AromaticContact CE1-NE2 3.27Å; H59-H63 PolarHBondContact CE1-NE2 3.27Å; H59-H63 VanDerWaalsContact CE1-NE2 3.27Å; H59-H63 AromaticContact NE2-CD2 3.72Å; H59-H63 AromaticContact NE2-NE2 3.24Å; H59-H63 PolarHBondContact NE2-NE2 3.04Å; I60-H63 WeakPolarHBondContact O-CB 3.06Å; I60-H63 PolarHBondContact O-N 3.33Å; R61-H63 VanDerWaalsContact C-N 3.27Å; H63-G65 VanDerWaalsContact C-N 3.32Å; H63-G65 PolarHBondContact O-N 3.39Å
64	T	93.3	Very high	94.3	Very high	81 Å²	81	73.4 Å²	73.4	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-77.7	-18.3	-179	65.2	0	0	0	0	113.4	I60 R61 E66	I60-T64 HydrophobicContact CG2-CG2 4.02Å; I60-T64 PolarHBondContact O-N 2.91Å; I60-T64 VanDerWaalsContact O-N 3.11Å; R61-T64 WeakPolarHBondContact CA-OG1 3.28Å; T64-E66 PolarHBondContact O-N 2.93Å; T64-E66 WeakPolarHBondContact OG1-CB 3.41Å; T64-E66 PolarHBondContact OG1-N 3.28Å
65	G	92.6	Very high	94.4	Very high	45 Å²	45	73.4 Å²	73.4	46%	0.464	38%	0.383	S	S	.	.			trans	74.2	5.9	-174.9	0	0	0	0	0	114.1	R61 H63 K67	R61-G65 WeakPolarHBondContact O-CA 3.4Å; R61-G65 PolarHBondContact O-N 3.13Å; H63-G65 VanDerWaalsContact C-N 3.32Å; H63-G65 PolarHBondContact O-N 3.39Å; G65-K67 WeakPolarHBondContact O-CG 3.08Å; G65-K67 PolarHBondContact O-N 3.03Å
66	E	94.9	Very high	94.5	Very high	101 Å²	101	76.6 Å²	76.6	47%	0.472	40%	0.395	S	S	.	.			trans	-62.6	123.7	177.2	-172.2	-158	154.1	0	0	110.7	R61 T64 P68	R61-E66 HydrophobicContact CG-CB 4.22Å; R61-E66 IonicContact NE-OE1 2.79Å; R61-E66 IonicContact NE-OE2 2.88Å; T64-E66 PolarHBondContact O-N 2.93Å; T64-E66 WeakPolarHBondContact OG1-CB 3.41Å; T64-E66 PolarHBondContact OG1-N 3.28Å; E66-P68 HydrophobicContact CG-CG 4.06Å; E66-P68 VanDerWaalsContact OE1-CG 3.27Å; E66-P68 WeakPolarHBondContact OE1-CG 3.23Å
67	K	95.1	Very high	94.5	Very high	87 Å²	87	77 Å²	77	38%	0.378	40%	0.401	S	S	.	.			trans	-128.9	81	-178.2	-69.3	174.5	-173.9	170.7	0	111.6	G65 Y69 D77 F78 I79	G65-K67 WeakPolarHBondContact O-CG 3.08Å; G65-K67 PolarHBondContact O-N 3.03Å; K67-Y69 PolarHBondContact O-N 2.86Å; K67-Y69 VanDerWaalsContact O-N 3.1Å; K67-D77 HydrophobicContact CB-CB 3.76Å; K67-D77 HydrophobicContact CD-CB 3.99Å; K67-D77 WeakPolarHBondContact CD-OD1 3.45Å; K67-D77 WeakPolarHBondContact CE-OD1 3.42Å; K67-D77 IonicContact NZ-OD1 3.04Å; K67-D77 PolarHBondContact NZ-OD1 3.01Å; K67-D77 IonicContact NZ-OD2 3.33Å; K67-F78 CarbonylContact C-O 3.51Å; K67-F78 VanDerWaalsContact C-O 3.27Å; K67-F78 VanDerWaalsContact CA-O 3.31Å; K67-F78 WeakPolarHBondContact CA-O 3.46Å; K67-I79 HydrophobicContact CG-CG1 3.7Å
68	P	95.1	Very high	94.6	Very high	58 Å²	58	71.2 Å²	71.2	38%	0.377	38%	0.38	S	S	.	.			trans	-68.1	-14.9	-171.4	-23.4	36.4	0	0	0	114.9	E66	E66-P68 HydrophobicContact CG-CG 4.06Å; E66-P68 VanDerWaalsContact OE1-CG 3.27Å; E66-P68 WeakPolarHBondContact OE1-CG 3.23Å
69	Y	97.1	Very high	94.7	Very high	78 Å²	78	68.8 Å²	68.8	31%	0.306	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	104.8	-170.5	-55	-76.7	0	0	0	109.9	K67 D77 F78 I79 S81	K67-Y69 PolarHBondContact O-N 2.86Å; K67-Y69 VanDerWaalsContact O-N 3.1Å; Y69-D77 CarbonylContact O-C 3.59Å; Y69-D77 WeakPolarHBondContact O-CA 3.42Å; Y69-F78 WeakPolarHBondContact CD2-O 3.5Å; Y69-F78 PolarHBondContact N-O 3.41Å; Y69-F78 VanDerWaalsContact N-O 3.16Å; Y69-F78 PolarHBondContact O-N 3.3Å; Y69-I79 WeakPolarHBondContact CD2-O 3.46Å; Y69-I79 VanDerWaalsContact CE2-O 3.23Å; Y69-I79 WeakPolarHBondContact CE2-O 3.35Å; Y69-S81 VanDerWaalsContact CE2-N 3.33Å
70	I	96.9	Very high	94.7	Very high	103 Å²	103	72.9 Å²	72.9	53%	0.528	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.1	-174.9	-54.7	173.5	0	0	0	109.8	K72 D77	I70-K72 PolarHBondContact O-N 3.35Å; I70-D77 HydrophobicContact CG1-CB 4.26Å
71	C	95.4	Very high	94.6	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.4	C	S	.	.			trans	-72.1	119.2	171.9	-178.5	0	0	0	0	109.9	T73 G75 K76 F78 L84 H92	C71-T73 PolarHBondContact O-N 3.04Å; C71-G75 WeakPolarHBondContact O-CA 3.43Å; C71-G75 PolarHBondContact O-N 3.5Å; C71-K76 WeakPolarHBondContact CB-O 3.47Å; C71-K76 PolarHBondContact N-O 3.44Å; C71-F78 HydrophobicContact CB-CE2 4.34Å; C71-L84 VanDerWaalsContact CA-CD1 3.47Å; C71-L84 HydrophobicContact CB-CD1 3.52Å; C71-H92 PolarHBondContact SG-CD2 3.45Å; C71-H92 PolarHBondContact SG-NE2 2.82Å
72	K	94.7	Very high	94.5	Very high	204 Å²	204	74.5 Å²	74.5	89%	0.887	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.3	180	-65.6	-174.4	177.1	-174.7	0	113.3	I70	I70-K72 PolarHBondContact O-N 3.35Å
73	T	90.9	Very high	94.5	Very high	99 Å²	99	73.6 Å²	73.6	61%	0.607	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-38	-177	-49.3	0	0	0	0	113.3	C71 H92	C71-T73 PolarHBondContact O-N 3.04Å; T73-H92 HydrophobicContact CG2-CB 4.42Å
74	C	92.6	Very high	94.6	Very high	67 Å²	67	71 Å²	71	45%	0.453	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	3.9	-176.6	70.3	0	0	0	0	114.9	K76 H87 H92	C74-K76 PolarHBondContact O-N 2.87Å; C74-K76 VanDerWaalsContact O-N 3.12Å; C74-K76 VanDerWaalsContact SG-CB 3.54Å; C74-H87 PolarHBondContact SG-NE2 2.97Å; C74-H92 PolarHBondContact SG-NE2 3.02Å
75	G	93.8	Very high	94.5	Very high	52 Å²	52	74.6 Å²	74.6	54%	0.536	39%	0.391	S	S	.	.			trans	71.2	-0.3	-179.4	0	0	0	0	0	114.9	C71	C71-G75 WeakPolarHBondContact O-CA 3.43Å; C71-G75 PolarHBondContact O-N 3.5Å
76	K	94.3	Very high	94.3	Very high	119 Å²	119	78 Å²	78	52%	0.517	39%	0.393	S	S	.	.			trans	-70.3	135.1	-177.5	-168.9	168.6	-174.8	169.8	0	111.8	C71 C74 F78	C71-K76 WeakPolarHBondContact CB-O 3.47Å; C71-K76 PolarHBondContact N-O 3.44Å; C74-K76 PolarHBondContact O-N 2.87Å; C74-K76 VanDerWaalsContact O-N 3.12Å; C74-K76 VanDerWaalsContact SG-CB 3.54Å; K76-F78 HydrophobicContact CB-CE2 4.14Å; K76-F78 HydrophobicContact CB-CZ 4.3Å; K76-F78 HydrophobicContact CD-CZ 3.93Å; K76-F78 HydrophobicContact CG-CE2 4.04Å; K76-F78 HydrophobicContact CG-CZ 3.85Å; K76-F78 VanDerWaalsContact O-CE2 3.28Å; K76-F78 WeakPolarHBondContact O-CE2 3.36Å
77	D	96.1	Very high	94	Very high	65 Å²	65	74.4 Å²	74.4	35%	0.348	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	153.4	-175.1	60.7	15.1	0	0	0	113.8	K67 Y69 I70	K67-D77 HydrophobicContact CB-CB 3.76Å; K67-D77 HydrophobicContact CD-CB 3.99Å; K67-D77 WeakPolarHBondContact CD-OD1 3.45Å; K67-D77 WeakPolarHBondContact CE-OD1 3.42Å; K67-D77 IonicContact NZ-OD1 3.04Å; K67-D77 PolarHBondContact NZ-OD1 3.01Å; K67-D77 IonicContact NZ-OD2 3.33Å; Y69-D77 CarbonylContact O-C 3.59Å; Y69-D77 WeakPolarHBondContact O-CA 3.42Å; I70-D77 HydrophobicContact CG1-CB 4.26Å
78	F	95.9	Very high	93.8	Very high	31 Å²	31	73.3 Å²	73.3	14%	0.136	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.6	-175.5	-58.6	-89.4	0	0	0	111.9	K67 Y69 C71 K76 R80 D83 L84 H87	K67-F78 CarbonylContact C-O 3.51Å; K67-F78 VanDerWaalsContact C-O 3.27Å; K67-F78 VanDerWaalsContact CA-O 3.31Å; K67-F78 WeakPolarHBondContact CA-O 3.46Å; Y69-F78 WeakPolarHBondContact CD2-O 3.5Å; Y69-F78 PolarHBondContact N-O 3.41Å; Y69-F78 VanDerWaalsContact N-O 3.16Å; Y69-F78 PolarHBondContact O-N 3.3Å; C71-F78 HydrophobicContact CB-CE2 4.34Å; K76-F78 HydrophobicContact CB-CE2 4.14Å; K76-F78 HydrophobicContact CB-CZ 4.3Å; K76-F78 HydrophobicContact CD-CZ 3.93Å; K76-F78 HydrophobicContact CG-CE2 4.04Å; K76-F78 HydrophobicContact CG-CZ 3.85Å; K76-F78 VanDerWaalsContact O-CE2 3.28Å; K76-F78 WeakPolarHBondContact O-CE2 3.36Å; F78-R80 VanDerWaalsContact C-N 3.33Å; F78-D83 HydrophobicContact CB-CB 4.38Å; F78-D83 HydrophobicContact CD1-CB 4.05Å; F78-L84 HydrophobicContact CB-CB 4.25Å; F78-L84 HydrophobicContact CD2-CB 3.75Å; F78-L84 HydrophobicContact CD2-CD1 3.71Å; F78-L84 HydrophobicContact CD2-CG 4.32Å; F78-L84 HydrophobicContact CE2-CB 4.44Å; F78-L84 HydrophobicContact CE2-CD1 3.77Å; F78-L84 HydrophobicContact CG-CB 4.11Å; F78-H87 HydrophobicContact CE1-CB 3.79Å; F78-H87 HydrophobicContact CE2-CB 3.98Å; F78-H87 AromaticContact CE2-CD2 3.55Å; F78-H87 AromaticContact CE2-CG 3.77Å; F78-H87 HydrophobicContact CZ-CB 3.35Å; F78-H87 AromaticContact CZ-CD2 3.49Å; F78-H87 VanDerWaalsContact CZ-CD2 3.49Å; F78-H87 WeakPolarHBondContact CZ-CD2 2.84Å; F78-H87 AromaticContact CZ-CG 3.22Å; F78-H87 AromaticContact CZ-ND1 3.72Å
79	I	94.7	Very high	93.3	Very high	31 Å²	31	77 Å²	77	16%	0.159	38%	0.379	C	S	.	.	S	Bend	trans	-71.2	-29.5	176	-63.7	-179.6	0	0	0	111.9	R61 T62 K67 Y69	R61-I79 HydrophobicContact CB-CG2 3.53Å; R61-I79 HydrophobicContact CG-CG2 4.45Å; R61-I79 PolarHBondContact NH1-O 3.17Å; T62-I79 HydrophobicContact CG2-CD1 3.9Å; K67-I79 HydrophobicContact CG-CG1 3.7Å; Y69-I79 WeakPolarHBondContact CD2-O 3.46Å; Y69-I79 VanDerWaalsContact CE2-O 3.23Å; Y69-I79 WeakPolarHBondContact CE2-O 3.35Å
80	R	94.6	Very high	92.5	Very high	100 Å²	100	74.9 Å²	74.9	38%	0.377	37%	0.373	S	S	.	.	S	Bend	trans	-127.9	141	-175.9	-50.3	-176	-170	89.9	1.3	111.7	F78 S82 D83 L84	F78-R80 VanDerWaalsContact C-N 3.33Å; R80-S82 VanDerWaalsContact C-N 3.26Å; R80-S82 PolarHBondContact O-N 3.24Å; R80-D83 HydrophobicContact CB-CB 4.36Å; R80-D83 WeakPolarHBondContact CB-OD2 3.46Å; R80-D83 IonicContact CZ-OD2 3.72Å; R80-D83 IonicContact NH1-OD2 3.93Å; R80-D83 PolarHBondContact NH1-OD2 3.24Å; R80-D83 WeakPolarHBondContact O-CB 3.44Å; R80-D83 PolarHBondContact O-N 3.16Å; R80-L84 PolarHBondContact O-N 3.02Å
81	S	95.2	Very high	91.8	Very high	66 Å²	66	75.7 Å²	75.7	46%	0.462	38%	0.376	S	S	.	.	H	α-helix	trans	-59.6	-35.7	174.4	57	0	0	0	0	112.9	Y69 D83 L84 R85	Y69-S81 VanDerWaalsContact CE2-N 3.33Å; S81-D83 PolarHBondContact O-N 3.33Å; S81-L84 PolarHBondContact O-N 3.41Å; S81-R85 PolarHBondContact O-N 2.95Å
82	S	93.3	Very high	91.3	Very high	37 Å²	37	79.1 Å²	79.1	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-32.8	176	59.5	0	0	0	0	112.8	R80 K86	R80-S82 VanDerWaalsContact C-N 3.26Å; R80-S82 PolarHBondContact O-N 3.24Å; S82-K86 WeakPolarHBondContact O-CB 3.3Å; S82-K86 WeakPolarHBondContact O-CD 3.44Å; S82-K86 WeakPolarHBondContact O-CG 3.44Å; S82-K86 PolarHBondContact O-N 3.17Å; S82-K86 VanDerWaalsContact O-N 3.1Å
83	D	94.3	Very high	90.4	Very high	44 Å²	44	72.3 Å²	72.3	24%	0.235	37%	0.367	C	S	.	.	H	α-helix	trans	-78	-40	-178.3	-62.8	-24.2	0	0	0	110	F78 R80 S81 K86 H87	F78-D83 HydrophobicContact CB-CB 4.38Å; F78-D83 HydrophobicContact CD1-CB 4.05Å; R80-D83 HydrophobicContact CB-CB 4.36Å; R80-D83 WeakPolarHBondContact CB-OD2 3.46Å; R80-D83 IonicContact CZ-OD2 3.72Å; R80-D83 IonicContact NH1-OD2 3.93Å; R80-D83 PolarHBondContact NH1-OD2 3.24Å; R80-D83 WeakPolarHBondContact O-CB 3.44Å; R80-D83 PolarHBondContact O-N 3.16Å; S81-D83 PolarHBondContact O-N 3.33Å; D83-K86 PolarHBondContact O-N 3.01Å; D83-H87 WeakPolarHBondContact O-CB 3.46Å; D83-H87 PolarHBondContact O-N 2.93Å
84	L	94.9	Very high	89.4	Confident	22 Å²	22	75.3 Å²	75.3	12%	0.115	38%	0.38	C	S	.	.	H	α-helix	trans	-56.7	-52.9	168.4	171.8	59.8	0	0	0	111.6	C71 F78 R80 S81 K86 H87 E88	C71-L84 VanDerWaalsContact CA-CD1 3.47Å; C71-L84 HydrophobicContact CB-CD1 3.52Å; F78-L84 HydrophobicContact CB-CB 4.25Å; F78-L84 HydrophobicContact CD2-CB 3.75Å; F78-L84 HydrophobicContact CD2-CD1 3.71Å; F78-L84 HydrophobicContact CD2-CG 4.32Å; F78-L84 HydrophobicContact CE2-CB 4.44Å; F78-L84 HydrophobicContact CE2-CD1 3.77Å; F78-L84 HydrophobicContact CG-CB 4.11Å; R80-L84 PolarHBondContact O-N 3.02Å; S81-L84 PolarHBondContact O-N 3.41Å; L84-K86 VanDerWaalsContact C-N 3.28Å; L84-K86 PolarHBondContact O-N 3.23Å; L84-H87 CarbonylContact O-C 3.26Å; L84-H87 WeakPolarHBondContact O-CA 3.16Å; L84-H87 VanDerWaalsContact O-CB 3.32Å; L84-H87 WeakPolarHBondContact O-CB 3.18Å; L84-H87 PolarHBondContact O-N 3.33Å; L84-E88 HydrophobicContact CD1-CG 3.84Å; L84-E88 HydrophobicContact CG-CG 4.4Å; L84-E88 PolarHBondContact O-N 3.25Å
85	R	91.6	Very high	88.4	Confident	157 Å²	157	76.7 Å²	76.7	59%	0.592	38%	0.382	S	S	*	.	H	α-helix	trans	-59.2	-39.4	-179.7	-175.1	174.8	66.8	-159.6	1.8	112.5	S81 R89	S81-R85 PolarHBondContact O-N 2.95Å; R85-R89 WeakPolarHBondContact O-CB 3.41Å; R85-R89 PolarHBondContact O-N 3.03Å
86	K	88	Confident	87.6	Confident	117 Å²	117	78 Å²	78	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-43.5	173.6	-77	167.5	-178.1	169.5	0	110.7	S82 D83 L84 N90	S82-K86 WeakPolarHBondContact O-CB 3.3Å; S82-K86 WeakPolarHBondContact O-CD 3.44Å; S82-K86 WeakPolarHBondContact O-CG 3.44Å; S82-K86 PolarHBondContact O-N 3.17Å; S82-K86 VanDerWaalsContact O-N 3.1Å; D83-K86 PolarHBondContact O-N 3.01Å; L84-K86 VanDerWaalsContact C-N 3.28Å; L84-K86 PolarHBondContact O-N 3.23Å; K86-N90 WeakPolarHBondContact O-CB 3.16Å; K86-N90 PolarHBondContact O-N 3.45Å; K86-N90 PolarHBondContact O-ND2 3.19Å
87	H	90.3	Very high	87.1	Confident	25 Å²	25	76 Å²	76	12%	0.116	37%	0.372	C	S	.	.	H	α-helix	trans	-60.6	-51.4	177.5	161.2	77.1	0	0	0	111.6	C74 F78 D83 L84 R89 N90 M91 H92	C74-H87 PolarHBondContact SG-NE2 2.97Å; F78-H87 HydrophobicContact CE1-CB 3.79Å; F78-H87 HydrophobicContact CE2-CB 3.98Å; F78-H87 AromaticContact CE2-CD2 3.55Å; F78-H87 AromaticContact CE2-CG 3.77Å; F78-H87 HydrophobicContact CZ-CB 3.35Å; F78-H87 AromaticContact CZ-CD2 3.49Å; F78-H87 VanDerWaalsContact CZ-CD2 3.49Å; F78-H87 WeakPolarHBondContact CZ-CD2 2.84Å; F78-H87 AromaticContact CZ-CG 3.22Å; F78-H87 AromaticContact CZ-ND1 3.72Å; D83-H87 WeakPolarHBondContact O-CB 3.46Å; D83-H87 PolarHBondContact O-N 2.93Å; L84-H87 CarbonylContact O-C 3.26Å; L84-H87 WeakPolarHBondContact O-CA 3.16Å; L84-H87 VanDerWaalsContact O-CB 3.32Å; L84-H87 WeakPolarHBondContact O-CB 3.18Å; L84-H87 PolarHBondContact O-N 3.33Å; H87-R89 PolarHBondContact O-N 3.1Å; H87-N90 PolarHBondContact O-N 2.86Å; H87-M91 VanDerWaalsContact O-CB 3.32Å; H87-M91 WeakPolarHBondContact O-CB 3.49Å; H87-M91 WeakPolarHBondContact O-CG 3.28Å; H87-M91 PolarHBondContact O-N 3.44Å; H87-H92 AromaticContact CE1-NE2 3.76Å; H87-H92 AromaticContact NE2-CD2 3.73Å; H87-H92 AromaticContact NE2-NE2 3.26Å; H87-H92 PolarHBondContact NE2-NE2 3.32Å
88	E	89.4	Confident	86.8	Confident	64 Å²	64	76.1 Å²	76.1	30%	0.299	37%	0.37	S	S	.	.	H	α-helix	trans	-58	-48.2	179.4	-70.7	175.1	151.4	0	0	111.3	L84 N90 M91 H92 T93	L84-E88 HydrophobicContact CD1-CG 3.84Å; L84-E88 HydrophobicContact CG-CG 4.4Å; L84-E88 PolarHBondContact O-N 3.25Å; E88-N90 VanDerWaalsContact C-N 3.28Å; E88-N90 PolarHBondContact O-N 3.17Å; E88-M91 PolarHBondContact O-N 2.79Å; E88-H92 WeakPolarHBondContact O-CA 3.45Å; E88-H92 WeakPolarHBondContact O-CB 3.33Å; E88-H92 PolarHBondContact O-N 3.33Å; E88-T93 PolarHBondContact O-N 3.09Å
89	R	85.6	Confident	86.5	Confident	137 Å²	137	77.7 Å²	77.7	52%	0.517	38%	0.383	S	S	.	.	H	α-helix	trans	-57	-43.6	175	-173.8	-175	-61.6	179.3	-4.3	112	R85 H87 T93	R85-R89 WeakPolarHBondContact O-CB 3.41Å; R85-R89 PolarHBondContact O-N 3.03Å; H87-R89 PolarHBondContact O-N 3.1Å; R89-T93 VanDerWaalsContact CA-OG1 3.3Å; R89-T93 WeakPolarHBondContact CA-OG1 3.44Å; R89-T93 PolarHBondContact O-OG1 3.39Å
90	N	81	Confident	86.4	Confident	33 Å²	33	76.2 Å²	76.2	18%	0.176	38%	0.376	C	S	.	.	H	α-helix	trans	-80.4	-28.9	-171.7	-71.2	-24.7	0	0	0	113.9	K86 H87 E88 N108	K86-N90 WeakPolarHBondContact O-CB 3.16Å; K86-N90 PolarHBondContact O-N 3.45Å; K86-N90 PolarHBondContact O-ND2 3.19Å; H87-N90 PolarHBondContact O-N 2.86Å; E88-N90 VanDerWaalsContact C-N 3.28Å; E88-N90 PolarHBondContact O-N 3.17Å; N90-N108 WeakPolarHBondContact CB-ND2 3.38Å; N90-N108 VanDerWaalsContact OD1-CB 3.32Å; N90-N108 WeakPolarHBondContact OD1-CB 3.31Å; N90-N108 PolarHBondContact OD1-ND2 3.23Å
91	M	81.6	Confident	86.2	Confident	120 Å²	120	79.2 Å²	79.2	59%	0.591	40%	0.396	S	S	*	.	H	α-helix	trans	-114.1	-30.7	-168.1	-59.4	-66.5	120.1	0	0	113.4	H87 E88	H87-M91 VanDerWaalsContact O-CB 3.32Å; H87-M91 WeakPolarHBondContact O-CB 3.49Å; H87-M91 WeakPolarHBondContact O-CG 3.28Å; H87-M91 PolarHBondContact O-N 3.44Å; E88-M91 PolarHBondContact O-N 2.79Å
92	H	84.6	Confident	86	Confident	72 Å²	72	82 Å²	82	33%	0.333	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-21.1	-173.8	-61	-49.2	0	0	0	113.2	C71 T73 C74 H87 E88	C71-H92 PolarHBondContact SG-CD2 3.45Å; C71-H92 PolarHBondContact SG-NE2 2.82Å; T73-H92 HydrophobicContact CG2-CB 4.42Å; C74-H92 PolarHBondContact SG-NE2 3.02Å; H87-H92 AromaticContact CE1-NE2 3.76Å; H87-H92 AromaticContact NE2-CD2 3.73Å; H87-H92 AromaticContact NE2-NE2 3.26Å; H87-H92 PolarHBondContact NE2-NE2 3.32Å; E88-H92 WeakPolarHBondContact O-CA 3.45Å; E88-H92 WeakPolarHBondContact O-CB 3.33Å; E88-H92 PolarHBondContact O-N 3.33Å
93	T	76.6	Confident	85.9	Confident	60 Å²	60	82.8 Å²	82.8	37%	0.368	41%	0.406	S	S	.	.	S	Bend	trans	-98.2	136	169.8	75.3	0	0	0	0	110.4	E88 R89 N95	E88-T93 PolarHBondContact O-N 3.09Å; R89-T93 VanDerWaalsContact CA-OG1 3.3Å; R89-T93 WeakPolarHBondContact CA-OG1 3.44Å; R89-T93 PolarHBondContact O-OG1 3.39Å; T93-N95 PolarHBondContact O-N 2.98Å
94	N	69.1	Low	85.4	Confident	163 Å²	163	83.4 Å²	83.4	87%	0.872	42%	0.423	S	S	*	.			trans	-70.1	12.7	169.9	-78.6	-32.3	0	0	0	113.1	K96	N94-K96 PolarHBondContact O-N 3.46Å
95	N	70.9	Confident	85	Confident	95 Å²	95	88.5 Å²	88.5	51%	0.508	44%	0.444	S	S	.	.			trans	-76.2	78.4	177.4	-166.5	-9.2	0	0	0	110.4	T93 P97	T93-N95 PolarHBondContact O-N 2.98Å; N95-P97 VanDerWaalsContact O-CD 3.32Å; N95-P97 WeakPolarHBondContact O-CD 3.37Å
96	K	78.1	Confident	84.8	Confident	80 Å²	80	84 Å²	84	35%	0.348	43%	0.434	S	S	.	.			trans	-109.8	83.1	171.5	-67.9	-177.4	-169.1	167.3	0	107.6	N94 F98 T106 F107 N108	N94-K96 PolarHBondContact O-N 3.46Å; K96-F98 PolarHBondContact O-N 3.41Å; K96-T106 WeakPolarHBondContact CB-OG1 3.47Å; K96-T106 WeakPolarHBondContact CD-O 3.26Å; K96-T106 WeakPolarHBondContact CD-OG1 3.43Å; K96-F107 CarbonylContact C-O 3.51Å; K96-F107 VanDerWaalsContact C-O 3.22Å; K96-F107 VanDerWaalsContact CA-O 3.31Å; K96-F107 WeakPolarHBondContact CA-O 3.3Å; K96-F107 WeakPolarHBondContact CB-O 3.32Å; K96-N108 HydrophobicContact CG-CB 4.41Å
97	P	83.1	Confident	84.7	Confident	76 Å²	76	80.4 Å²	80.4	49%	0.494	42%	0.419	S	S	.	.			trans	-72.9	-0.1	-167	30.1	-36	0	0	0	113.7	N95 P99	N95-P97 VanDerWaalsContact O-CD 3.32Å; N95-P97 WeakPolarHBondContact O-CD 3.37Å; P97-P99 VanDerWaalsContact C-CD 3.48Å; P97-P99 WeakPolarHBondContact O-CD 3.24Å
98	F	89.4	Confident	84.4	Confident	69 Å²	69	81.1 Å²	81.1	30%	0.303	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	84.3	-177.4	-52.3	-69.3	0	0	0	110.3	K96 T106 F107 P110 L113	K96-F98 PolarHBondContact O-N 3.41Å; F98-T106 CarbonylContact O-C 3.58Å; F98-T106 WeakPolarHBondContact O-CA 3.46Å; F98-F107 HydrophobicContact CB-CB 4.32Å; F98-F107 WeakPolarHBondContact CB-O 3.36Å; F98-F107 WeakPolarHBondContact CD2-O 3.38Å; F98-F107 PolarHBondContact N-O 3.39Å; F98-F107 PolarHBondContact O-N 3.42Å; F98-P110 HydrophobicContact CD1-CG 4.15Å; F98-P110 HydrophobicContact CD2-CG 4.39Å; F98-P110 HydrophobicContact CE1-CB 4.47Å; F98-P110 HydrophobicContact CE1-CG 3.67Å; F98-P110 VanDerWaalsContact CE2-CD 3.47Å; F98-P110 HydrophobicContact CE2-CG 3.92Å; F98-P110 HydrophobicContact CG-CG 4.5Å; F98-P110 HydrophobicContact CZ-CG 3.54Å; F98-L113 HydrophobicContact CB-CB 4.23Å; F98-L113 HydrophobicContact CB-CD2 3.91Å
99	P	89.7	Confident	84.3	Confident	63 Å²	63	83.6 Å²	83.6	41%	0.409	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143	172.9	30.7	-34.2	0	0	0	111.5	P97 T106 L113	P97-P99 VanDerWaalsContact C-CD 3.48Å; P97-P99 WeakPolarHBondContact O-CD 3.24Å; P99-T106 HydrophobicContact CB-CG2 4.08Å; P99-L113 WeakPolarHBondContact O-CD2 3.27Å
100	C	92.2	Very high	84.4	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.007	43%	0.433	C	S	.	.			trans	-83.3	120	166.6	177.4	0	0	0	0	109.5	H102 C103 G104 K105 F107 L113 H116 H120	C100-H102 PolarHBondContact O-N 2.87Å; C100-C103 PolarHBondContact O-N 3.49Å; C100-C103 VanDerWaalsContact SG-SG 3.69Å; C100-G104 VanDerWaalsContact O-CA 3.3Å; C100-G104 WeakPolarHBondContact O-CA 3.47Å; C100-G104 PolarHBondContact O-N 2.82Å; C100-K105 VanDerWaalsContact CB-O 3.26Å; C100-K105 WeakPolarHBondContact CB-O 3.43Å; C100-K105 PolarHBondContact N-O 3.17Å; C100-F107 HydrophobicContact CB-CE2 4.09Å; C100-L113 HydrophobicContact CB-CD1 3.54Å; C100-H116 VanDerWaalsContact SG-CD2 3.53Å; C100-H116 PolarHBondContact SG-NE2 3Å; C100-H116 VanDerWaalsContact SG-NE2 3.44Å; C100-H120 PolarHBondContact SG-NE2 2.91Å; C100-H120 VanDerWaalsContact SG-NE2 3.39Å
101	M	91.9	Very high	84.9	Confident	162 Å²	162	85.9 Å²	85.9	80%	0.798	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24	-177.2	-62	-55.4	-67.5	0	0	113.2
102	H	90	Very high	85.4	Confident	124 Å²	124	81.4 Å²	81.4	57%	0.574	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-26.7	-179.8	-62.1	-69.4	0	0	0	114.3	C100 H120	C100-H102 PolarHBondContact O-N 2.87Å; H102-H120 AromaticContact CD2-CD2 3.86Å
103	C	91.7	Very high	85.8	Confident	54 Å²	54	79 Å²	79	37%	0.365	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	8.8	-173.4	72.4	0	0	0	0	115.1	C100 K105 H116 H120	C100-C103 PolarHBondContact O-N 3.49Å; C100-C103 VanDerWaalsContact SG-SG 3.69Å; C103-K105 PolarHBondContact O-N 3.06Å; C103-H116 PolarHBondContact SG-NE2 2.82Å; C103-H120 PolarHBondContact SG-NE2 3.24Å; C103-H120 VanDerWaalsContact SG-NE2 3.42Å
104	G	84.6	Confident	86.6	Confident	57 Å²	57	82.2 Å²	82.2	59%	0.588	44%	0.438	S	S	*	.			trans	69.1	-4.1	178.5	0	0	0	0	0	115.4	C100 T106	C100-G104 VanDerWaalsContact O-CA 3.3Å; C100-G104 WeakPolarHBondContact O-CA 3.47Å; C100-G104 PolarHBondContact O-N 2.82Å; G104-T106 PolarHBondContact O-N 3.16Å
105	K	85.9	Confident	87.8	Confident	130 Å²	130	80.5 Å²	80.5	57%	0.565	42%	0.419	S	S	*	.			trans	-65.5	129.4	-179.7	-74.1	-178.7	-179.1	173.8	0	110.8	C100 C103 F107	C100-K105 VanDerWaalsContact CB-O 3.26Å; C100-K105 WeakPolarHBondContact CB-O 3.43Å; C100-K105 PolarHBondContact N-O 3.17Å; C103-K105 PolarHBondContact O-N 3.06Å; K105-F107 HydrophobicContact CB-CE2 4.02Å; K105-F107 HydrophobicContact CB-CZ 4.16Å; K105-F107 WeakPolarHBondContact O-CD2 3.45Å; K105-F107 VanDerWaalsContact O-CE2 3.24Å; K105-F107 WeakPolarHBondContact O-CE2 3.42Å
106	T	86.3	Confident	88.8	Confident	62 Å²	62	77 Å²	77	38%	0.38	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	146.2	-177.9	57.4	0	0	0	0	112.7	K96 F98 P99 G104	K96-T106 WeakPolarHBondContact CB-OG1 3.47Å; K96-T106 WeakPolarHBondContact CD-O 3.26Å; K96-T106 WeakPolarHBondContact CD-OG1 3.43Å; F98-T106 CarbonylContact O-C 3.58Å; F98-T106 WeakPolarHBondContact O-CA 3.46Å; P99-T106 HydrophobicContact CB-CG2 4.08Å; G104-T106 PolarHBondContact O-N 3.16Å
107	F	87.7	Confident	89.6	Confident	41 Å²	41	75.7 Å²	75.7	18%	0.18	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.5	-178.8	-58.9	-89.7	0	0	0	111.2	K96 F98 C100 K105 L113 H116	K96-F107 CarbonylContact C-O 3.51Å; K96-F107 VanDerWaalsContact C-O 3.22Å; K96-F107 VanDerWaalsContact CA-O 3.31Å; K96-F107 WeakPolarHBondContact CA-O 3.3Å; K96-F107 WeakPolarHBondContact CB-O 3.32Å; F98-F107 HydrophobicContact CB-CB 4.32Å; F98-F107 WeakPolarHBondContact CB-O 3.36Å; F98-F107 WeakPolarHBondContact CD2-O 3.38Å; F98-F107 PolarHBondContact N-O 3.39Å; F98-F107 PolarHBondContact O-N 3.42Å; C100-F107 HydrophobicContact CB-CE2 4.09Å; K105-F107 HydrophobicContact CB-CE2 4.02Å; K105-F107 HydrophobicContact CB-CZ 4.16Å; K105-F107 WeakPolarHBondContact O-CD2 3.45Å; K105-F107 VanDerWaalsContact O-CE2 3.24Å; K105-F107 WeakPolarHBondContact O-CE2 3.42Å; F107-L113 HydrophobicContact CB-CB 4.13Å; F107-L113 HydrophobicContact CD2-CB 3.8Å; F107-L113 HydrophobicContact CD2-CD1 3.64Å; F107-L113 HydrophobicContact CD2-CG 4.31Å; F107-L113 HydrophobicContact CE2-CD1 3.82Å; F107-L113 HydrophobicContact CG-CB 4.08Å; F107-H116 HydrophobicContact CE1-CB 3.78Å; F107-H116 HydrophobicContact CE2-CB 3.92Å; F107-H116 AromaticContact CE2-CD2 3.47Å; F107-H116 VanDerWaalsContact CE2-CD2 3.47Å; F107-H116 WeakPolarHBondContact CE2-CD2 3.42Å; F107-H116 AromaticContact CE2-CG 3.7Å; F107-H116 HydrophobicContact CZ-CB 3.35Å; F107-H116 AromaticContact CZ-CD2 3.44Å; F107-H116 VanDerWaalsContact CZ-CD2 3.44Å; F107-H116 WeakPolarHBondContact CZ-CD2 3.49Å; F107-H116 AromaticContact CZ-CG 3.17Å; F107-H116 AromaticContact CZ-ND1 3.68Å
108	N	83.9	Confident	90.1	Very high	41 Å²	41	74.7 Å²	74.7	22%	0.219	38%	0.381	C	S	.	.	S	Bend	trans	-92.8	-5.7	178.8	60.1	21.1	0	0	0	114	N90 K96	N90-N108 WeakPolarHBondContact CB-ND2 3.38Å; N90-N108 VanDerWaalsContact OD1-CB 3.32Å; N90-N108 WeakPolarHBondContact OD1-CB 3.31Å; N90-N108 PolarHBondContact OD1-ND2 3.23Å; K96-N108 HydrophobicContact CG-CB 4.41Å
109	K	85.6	Confident	90.2	Very high	116 Å²	116	79.1 Å²	79.1	50%	0.504	40%	0.4	S	S	.	.	S	Bend	trans	-140	139.8	179.2	-68.1	176.4	-175.8	-179.2	0	109.9	L111 S112 L113	K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 3.31Å; K109-S112 WeakPolarHBondContact O-CB 3.1Å; K109-S112 PolarHBondContact O-N 3.06Å; K109-L113 PolarHBondContact O-N 3.36Å
110	P	89.4	Confident	90.3	Very high	78 Å²	78	80 Å²	80	51%	0.506	40%	0.399	S	S	.	.	H	α-helix	trans	-59	-42.4	177.1	-21.3	30.5	0	0	0	112.5	F98 S112 L113 K114	F98-P110 HydrophobicContact CD1-CG 4.15Å; F98-P110 HydrophobicContact CD2-CG 4.39Å; F98-P110 HydrophobicContact CE1-CB 4.47Å; F98-P110 HydrophobicContact CE1-CG 3.67Å; F98-P110 VanDerWaalsContact CE2-CD 3.47Å; F98-P110 HydrophobicContact CE2-CG 3.92Å; F98-P110 HydrophobicContact CG-CG 4.5Å; F98-P110 HydrophobicContact CZ-CG 3.54Å; P110-S112 PolarHBondContact O-N 3.25Å; P110-L113 WeakPolarHBondContact O-CB 3.44Å; P110-L113 PolarHBondContact O-N 3.44Å; P110-L113 VanDerWaalsContact O-N 3.1Å; P110-K114 PolarHBondContact O-N 3.43Å
111	L	90.9	Very high	90.3	Very high	140 Å²	140	85 Å²	85	73%	0.733	43%	0.425	S	S	*	.	H	α-helix	trans	-61.3	-31.7	177.7	-67.8	175	0	0	0	112.9	K109 R115	K109-L111 VanDerWaalsContact C-N 3.32Å; K109-L111 PolarHBondContact O-N 3.31Å; L111-R115 WeakPolarHBondContact O-CB 3.28Å; L111-R115 PolarHBondContact O-N 3.04Å
112	S	91.1	Very high	90.2	Very high	25 Å²	25	79.5 Å²	79.5	18%	0.175	41%	0.41	C	S	.	.	H	α-helix	trans	-70.4	-39.8	176	-65.6	0	0	0	0	111.4	K109 P110 H116	K109-S112 WeakPolarHBondContact O-CB 3.1Å; K109-S112 PolarHBondContact O-N 3.06Å; P110-S112 PolarHBondContact O-N 3.25Å; S112-H116 WeakPolarHBondContact O-CB 3.47Å; S112-H116 PolarHBondContact O-N 3.1Å
113	L	93.6	Very high	90.3	Very high	22 Å²	22	77.9 Å²	77.9	12%	0.115	40%	0.403	C	S	.	.	H	α-helix	trans	-64.1	-54.3	173.4	170.5	60.1	0	0	0	110.7	F98 P99 C100 F107 K109 P110 R115 H116 E117	F98-L113 HydrophobicContact CB-CB 4.23Å; F98-L113 HydrophobicContact CB-CD2 3.91Å; P99-L113 WeakPolarHBondContact O-CD2 3.27Å; C100-L113 HydrophobicContact CB-CD1 3.54Å; F107-L113 HydrophobicContact CB-CB 4.13Å; F107-L113 HydrophobicContact CD2-CB 3.8Å; F107-L113 HydrophobicContact CD2-CD1 3.64Å; F107-L113 HydrophobicContact CD2-CG 4.31Å; F107-L113 HydrophobicContact CE2-CD1 3.82Å; F107-L113 HydrophobicContact CG-CB 4.08Å; K109-L113 PolarHBondContact O-N 3.36Å; P110-L113 WeakPolarHBondContact O-CB 3.44Å; P110-L113 PolarHBondContact O-N 3.44Å; P110-L113 VanDerWaalsContact O-N 3.1Å; L113-R115 PolarHBondContact O-N 2.86Å; L113-R115 VanDerWaalsContact O-N 3.17Å; L113-H116 CarbonylContact O-C 3.48Å; L113-H116 WeakPolarHBondContact O-CA 3.34Å; L113-H116 VanDerWaalsContact O-CB 3.28Å; L113-H116 WeakPolarHBondContact O-CB 3.49Å; L113-H116 PolarHBondContact O-N 3.24Å; L113-E117 HydrophobicContact CD1-CG 3.92Å; L113-E117 HydrophobicContact CG-CG 4.35Å; L113-E117 WeakPolarHBondContact O-CG 3.4Å; L113-E117 PolarHBondContact O-N 3.29Å
114	K	93.3	Very high	90.4	Very high	128 Å²	128	81.3 Å²	81.3	56%	0.557	41%	0.412	S	S	*	.	H	α-helix	trans	-53.5	-42.4	178.5	-174.5	170.7	-172.6	169.9	0	112.2	P110 H116 E117 R118	P110-K114 PolarHBondContact O-N 3.43Å; K114-H116 VanDerWaalsContact C-N 3.33Å; K114-H116 PolarHBondContact O-N 2.78Å; K114-E117 WeakPolarHBondContact CA-OE2 3.38Å; K114-E117 PolarHBondContact O-N 3.43Å; K114-R118 PolarHBondContact O-N 2.81Å
115	R	93.6	Very high	90.9	Very high	127 Å²	127	82.2 Å²	82.2	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-39.8	174.4	173.2	169	67.6	178	3.4	112.8	L111 L113 L137	L111-R115 WeakPolarHBondContact O-CB 3.28Å; L111-R115 PolarHBondContact O-N 3.04Å; L113-R115 PolarHBondContact O-N 2.86Å; L113-R115 VanDerWaalsContact O-N 3.17Å; R115-L137 HydrophobicContact CG-CD2 3.53Å
116	H	93.5	Very high	91.3	Very high	22 Å²	22	79.1 Å²	79.1	10%	0.102	39%	0.393	C	S	.	.	H	α-helix	trans	-67.6	-41.2	177.9	165.1	75.4	0	0	0	111.4	C100 C103 F107 S112 L113 K114 R118 K119 H120	C100-H116 VanDerWaalsContact SG-CD2 3.53Å; C100-H116 PolarHBondContact SG-NE2 3Å; C100-H116 VanDerWaalsContact SG-NE2 3.44Å; C103-H116 PolarHBondContact SG-NE2 2.82Å; F107-H116 HydrophobicContact CE1-CB 3.78Å; F107-H116 HydrophobicContact CE2-CB 3.92Å; F107-H116 AromaticContact CE2-CD2 3.47Å; F107-H116 VanDerWaalsContact CE2-CD2 3.47Å; F107-H116 WeakPolarHBondContact CE2-CD2 3.42Å; F107-H116 AromaticContact CE2-CG 3.7Å; F107-H116 HydrophobicContact CZ-CB 3.35Å; F107-H116 AromaticContact CZ-CD2 3.44Å; F107-H116 VanDerWaalsContact CZ-CD2 3.44Å; F107-H116 WeakPolarHBondContact CZ-CD2 3.49Å; F107-H116 AromaticContact CZ-CG 3.17Å; F107-H116 AromaticContact CZ-ND1 3.68Å; S112-H116 WeakPolarHBondContact O-CB 3.47Å; S112-H116 PolarHBondContact O-N 3.1Å; L113-H116 CarbonylContact O-C 3.48Å; L113-H116 WeakPolarHBondContact O-CA 3.34Å; L113-H116 VanDerWaalsContact O-CB 3.28Å; L113-H116 WeakPolarHBondContact O-CB 3.49Å; L113-H116 PolarHBondContact O-N 3.24Å; K114-H116 VanDerWaalsContact C-N 3.33Å; K114-H116 PolarHBondContact O-N 2.78Å; H116-R118 PolarHBondContact O-N 3.01Å; H116-K119 VanDerWaalsContact O-CB 3.23Å; H116-K119 WeakPolarHBondContact O-CB 3.47Å; H116-K119 WeakPolarHBondContact O-CG 3.34Å; H116-K119 PolarHBondContact O-N 3.43Å; H116-H120 AromaticContact CD2-NE2 3.97Å; H116-H120 AromaticContact CE1-NE2 3.77Å; H116-H120 AromaticContact NE2-CD2 3.9Å; H116-H120 AromaticContact NE2-NE2 3.16Å; H116-H120 PolarHBondContact NE2-NE2 3.27Å; H116-H120 VanDerWaalsContact NE2-NE2 3.16Å
117	E	93.9	Very high	91.8	Very high	52 Å²	52	79.5 Å²	79.5	24%	0.243	40%	0.399	C	S	.	.	H	α-helix	trans	-59.5	-31.1	179.5	-72.1	169.5	157.1	0	0	113	L113 K114 K119 H120 L121	L113-E117 HydrophobicContact CD1-CG 3.92Å; L113-E117 HydrophobicContact CG-CG 4.35Å; L113-E117 WeakPolarHBondContact O-CG 3.4Å; L113-E117 PolarHBondContact O-N 3.29Å; K114-E117 WeakPolarHBondContact CA-OE2 3.38Å; K114-E117 PolarHBondContact O-N 3.43Å; E117-K119 PolarHBondContact O-N 3.38Å; E117-H120 WeakPolarHBondContact O-CA 3.3Å; E117-H120 WeakPolarHBondContact O-CB 3.37Å; E117-H120 PolarHBondContact O-N 3.19Å; E117-L121 PolarHBondContact O-N 3.44Å; E117-L121 VanDerWaalsContact O-N 3.1Å
118	R	94.1	Very high	92	Very high	54 Å²	54	77.7 Å²	77.7	20%	0.204	39%	0.391	C	S	.	.	H	α-helix	trans	-53.9	-25.6	170.8	-64.4	-173.5	-177.8	161.1	1.3	113.9	K114 H116 H120 G122 E123 A136	K114-R118 PolarHBondContact O-N 2.81Å; H116-R118 PolarHBondContact O-N 3.01Å; R118-H120 VanDerWaalsContact C-N 3.35Å; R118-G122 CarbonylContact O-C 3.58Å; R118-G122 WeakPolarHBondContact O-CA 3.43Å; R118-G122 PolarHBondContact O-N 3.37Å; R118-E123 HydrophobicContact CB-CB 4.1Å; R118-E123 HydrophobicContact CG-CB 4.08Å; R118-E123 PolarHBondContact O-N 3.21Å; R118-E123 VanDerWaalsContact O-N 3.12Å; R118-A136 HydrophobicContact CB-CB 4.42Å; R118-A136 PolarHBondContact NH1-O 3.01Å
119	K	91.5	Very high	92.4	Very high	162 Å²	162	80.4 Å²	80.4	70%	0.704	41%	0.411	S	S	*	.	H	α-helix	trans	-70.3	-34.1	175.5	-62.9	-173.8	174.4	-168.9	0	112.3	H116 E117	H116-K119 VanDerWaalsContact O-CB 3.23Å; H116-K119 WeakPolarHBondContact O-CB 3.47Å; H116-K119 WeakPolarHBondContact O-CG 3.34Å; H116-K119 PolarHBondContact O-N 3.43Å; E117-K119 PolarHBondContact O-N 3.38Å
120	H	91.8	Very high	92.7	Very high	81 Å²	81	79.8 Å²	79.8	38%	0.375	41%	0.413	S	S	.	.	H	α-helix	trans	-76.4	-42.7	178.4	-61.9	-51.8	0	0	0	110.8	C100 H102 C103 H116 E117 R118 G122	C100-H120 PolarHBondContact SG-NE2 2.91Å; C100-H120 VanDerWaalsContact SG-NE2 3.39Å; H102-H120 AromaticContact CD2-CD2 3.86Å; C103-H120 PolarHBondContact SG-NE2 3.24Å; C103-H120 VanDerWaalsContact SG-NE2 3.42Å; H116-H120 AromaticContact CD2-NE2 3.97Å; H116-H120 AromaticContact CE1-NE2 3.77Å; H116-H120 AromaticContact NE2-CD2 3.9Å; H116-H120 AromaticContact NE2-NE2 3.16Å; H116-H120 PolarHBondContact NE2-NE2 3.27Å; H116-H120 VanDerWaalsContact NE2-NE2 3.16Å; E117-H120 WeakPolarHBondContact O-CA 3.3Å; E117-H120 WeakPolarHBondContact O-CB 3.37Å; E117-H120 PolarHBondContact O-N 3.19Å; R118-H120 VanDerWaalsContact C-N 3.35Å; H120-G122 VanDerWaalsContact C-N 3.26Å; H120-G122 PolarHBondContact O-N 3.22Å
121	L	91.4	Very high	92.7	Very high	107 Å²	107	79.1 Å²	79.1	56%	0.56	41%	0.41	S	S	*	.	H	α-helix	trans	-78.7	-9	179.5	-59.7	175.8	0	0	0	113.6	E117 E123	E117-L121 PolarHBondContact O-N 3.44Å; E117-L121 VanDerWaalsContact O-N 3.1Å; L121-E123 HydrophobicContact CB-CG 3.88Å; L121-E123 HydrophobicContact CD1-CG 4.49Å; L121-E123 WeakPolarHBondContact CD1-OE1 3.48Å; L121-E123 PolarHBondContact O-N 2.89Å; L121-E123 VanDerWaalsContact O-N 3.15Å
122	G	90.1	Very high	92.7	Very high	47 Å²	47	75 Å²	75	49%	0.485	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	9.5	-173.9	0	0	0	0	0	114.5	R118 H120 K124	R118-G122 CarbonylContact O-C 3.58Å; R118-G122 WeakPolarHBondContact O-CA 3.43Å; R118-G122 PolarHBondContact O-N 3.37Å; H120-G122 VanDerWaalsContact C-N 3.26Å; H120-G122 PolarHBondContact O-N 3.22Å; G122-K124 PolarHBondContact O-N 3.49Å
123	E	92.9	Very high	92.8	Very high	89 Å²	89	79.6 Å²	79.6	42%	0.416	42%	0.418	S	S	.	.			trans	-60.1	122	-178	-74.8	-178	-173.2	0	0	112.1	R118 L121	R118-E123 HydrophobicContact CB-CB 4.1Å; R118-E123 HydrophobicContact CG-CB 4.08Å; R118-E123 PolarHBondContact O-N 3.21Å; R118-E123 VanDerWaalsContact O-N 3.12Å; L121-E123 HydrophobicContact CB-CG 3.88Å; L121-E123 HydrophobicContact CD1-CG 4.49Å; L121-E123 WeakPolarHBondContact CD1-OE1 3.48Å; L121-E123 PolarHBondContact O-N 2.89Å; L121-E123 VanDerWaalsContact O-N 3.15Å
124	K	93.4	Very high	92.8	Very high	127 Å²	127	80.2 Å²	80.2	55%	0.552	43%	0.426	S	S	*	.			trans	-129.1	74.9	176.8	-67.8	172.4	-174.2	174.9	0	110.8	G122 F126 A134 F135	G122-K124 PolarHBondContact O-N 3.49Å; K124-F126 PolarHBondContact O-N 3.02Å; K124-F126 VanDerWaalsContact O-N 3.1Å; K124-A134 HydrophobicContact CB-CB 3.62Å; K124-A134 HydrophobicContact CD-CB 4.18Å; K124-F135 CarbonylContact C-O 3.59Å; K124-F135 VanDerWaalsContact C-O 3.26Å; K124-F135 VanDerWaalsContact CA-O 3.3Å; K124-F135 WeakPolarHBondContact CA-O 3.32Å
125	P	93.9	Very high	92.9	Very high	75 Å²	75	75.8 Å²	75.8	49%	0.487	41%	0.407	S	S	.	.			trans	-68.7	-11.5	-171.9	-19.6	33.5	0	0	0	114.7
126	F	96.1	Very high	92.8	Very high	65 Å²	65	71.1 Å²	71.1	29%	0.285	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	102.6	-172	-54.3	-79.5	0	0	0	110.3	K124 A134 F135 L137 A138 M141	K124-F126 PolarHBondContact O-N 3.02Å; K124-F126 VanDerWaalsContact O-N 3.1Å; F126-A134 CarbonylContact O-C 3.39Å; F126-A134 WeakPolarHBondContact O-CA 3.39Å; F126-F135 WeakPolarHBondContact CD2-O 3.44Å; F126-F135 PolarHBondContact N-O 3.37Å; F126-F135 VanDerWaalsContact N-O 3.15Å; F126-F135 PolarHBondContact O-N 3.03Å; F126-L137 VanDerWaalsContact CD2-C 3.47Å; F126-A138 HydrophobicContact CD1-CB 3.82Å; F126-A138 HydrophobicContact CD2-CB 4.44Å; F126-A138 VanDerWaalsContact CD2-N 3.26Å; F126-A138 HydrophobicContact CE1-CB 3.72Å; F126-A138 HydrophobicContact CE2-CB 4.35Å; F126-A138 HydrophobicContact CG-CB 4.18Å; F126-A138 HydrophobicContact CZ-CB 3.99Å; F126-M141 HydrophobicContact CB-CB 4.06Å; F126-M141 HydrophobicContact CB-CG 4.36Å
127	S	95.8	Very high	92.8	Very high	71 Å²	71	72 Å²	72	50%	0.497	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.9	177	-61.1	0	0	0	0	111.7
128	C	92.9	Very high	92.8	Very high	2 Å²	2	71.7 Å²	71.7	1%	0.014	41%	0.407	C	S	.	.			trans	-70.2	125	170.2	-172.3	0	0	0	0	109	D130 G132 K133 F135	C128-D130 VanDerWaalsContact C-N 3.25Å; C128-D130 PolarHBondContact O-N 2.76Å; C128-G132 VanDerWaalsContact O-CA 3.25Å; C128-G132 WeakPolarHBondContact O-CA 3.21Å; C128-G132 PolarHBondContact O-N 3.3Å; C128-K133 HydrophobicContact CB-CB 4.41Å; C128-K133 WeakPolarHBondContact CB-O 3.18Å; C128-K133 PolarHBondContact N-O 3.27Å; C128-F135 HydrophobicContact CB-CE2 4.38Å
129	P	92.3	Very high	92.7	Very high	98 Å²	98	73 Å²	73	64%	0.636	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-30	178.6	26.6	-33.8	0	0	0	112.4
130	D	90.1	Very high	92.7	Very high	103 Å²	103	71.5 Å²	71.5	55%	0.551	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-25.2	-173.2	-51.4	-45.1	0	0	0	113.6	C128 H148	C128-D130 VanDerWaalsContact C-N 3.25Å; C128-D130 PolarHBondContact O-N 2.76Å; D130-H148 IonicContact OD2-CD2 2.78Å; D130-H148 IonicContact OD2-CG 3.76Å
131	C	91.1	Very high	92.8	Very high	65 Å²	65	69.2 Å²	69.2	44%	0.439	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	6.2	-175.2	69	0	0	0	0	115.2	K133 H144 H148	C131-K133 PolarHBondContact O-N 2.79Å; C131-K133 VanDerWaalsContact SG-CB 3.58Å; C131-H144 PolarHBondContact SG-NE2 3.12Å; C131-H148 PolarHBondContact SG-NE2 3.36Å
132	G	90.7	Very high	92.8	Very high	53 Å²	53	66.3 Å²	66.3	55%	0.546	40%	0.396	S	S	.	.			trans	68.8	-2.5	179.6	0	0	0	0	0	115.3	C128 A134	C128-G132 VanDerWaalsContact O-CA 3.25Å; C128-G132 WeakPolarHBondContact O-CA 3.21Å; C128-G132 PolarHBondContact O-N 3.3Å; G132-A134 PolarHBondContact O-N 2.81Å
133	K	92.5	Very high	92.6	Very high	121 Å²	121	66.6 Å²	66.6	53%	0.526	38%	0.384	S	S	.	.			trans	-64.5	123.1	-177.3	-169.8	168.8	-173.9	166.6	0	111.3	C128 C131 F135	C128-K133 HydrophobicContact CB-CB 4.41Å; C128-K133 WeakPolarHBondContact CB-O 3.18Å; C128-K133 PolarHBondContact N-O 3.27Å; C131-K133 PolarHBondContact O-N 2.79Å; C131-K133 VanDerWaalsContact SG-CB 3.58Å; K133-F135 HydrophobicContact CB-CE2 4.1Å; K133-F135 HydrophobicContact CB-CZ 4.35Å; K133-F135 HydrophobicContact CD-CE2 4.47Å; K133-F135 HydrophobicContact CD-CZ 3.89Å; K133-F135 HydrophobicContact CG-CE2 3.96Å; K133-F135 HydrophobicContact CG-CZ 3.83Å; K133-F135 VanDerWaalsContact O-CD2 3.3Å; K133-F135 WeakPolarHBondContact O-CD2 3.45Å; K133-F135 WeakPolarHBondContact O-CE2 3.32Å
134	A	94.4	Very high	92.5	Very high	35 Å²	35	63.9 Å²	63.9	29%	0.289	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	146.3	-176.5	0	0	0	0	0	113.5	K124 F126 G132	K124-A134 HydrophobicContact CB-CB 3.62Å; K124-A134 HydrophobicContact CD-CB 4.18Å; F126-A134 CarbonylContact O-C 3.39Å; F126-A134 WeakPolarHBondContact O-CA 3.39Å; G132-A134 PolarHBondContact O-N 2.81Å
135	F	93.9	Very high	92.2	Very high	35 Å²	35	60.6 Å²	60.6	15%	0.154	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.8	-177.8	-58.9	-92.3	0	0	0	111.6	K124 F126 C128 K133 L137 R140 M141 H144	K124-F135 CarbonylContact C-O 3.59Å; K124-F135 VanDerWaalsContact C-O 3.26Å; K124-F135 VanDerWaalsContact CA-O 3.3Å; K124-F135 WeakPolarHBondContact CA-O 3.32Å; F126-F135 WeakPolarHBondContact CD2-O 3.44Å; F126-F135 PolarHBondContact N-O 3.37Å; F126-F135 VanDerWaalsContact N-O 3.15Å; F126-F135 PolarHBondContact O-N 3.03Å; C128-F135 HydrophobicContact CB-CE2 4.38Å; K133-F135 HydrophobicContact CB-CE2 4.1Å; K133-F135 HydrophobicContact CB-CZ 4.35Å; K133-F135 HydrophobicContact CD-CE2 4.47Å; K133-F135 HydrophobicContact CD-CZ 3.89Å; K133-F135 HydrophobicContact CG-CE2 3.96Å; K133-F135 HydrophobicContact CG-CZ 3.83Å; K133-F135 VanDerWaalsContact O-CD2 3.3Å; K133-F135 WeakPolarHBondContact O-CD2 3.45Å; K133-F135 WeakPolarHBondContact O-CE2 3.32Å; F135-L137 PolarHBondContact O-N 2.98Å; F135-R140 HydrophobicContact CB-CB 4.44Å; F135-R140 HydrophobicContact CD1-CB 4.01Å; F135-R140 HydrophobicContact CG-CB 4.49Å; F135-M141 HydrophobicContact CB-CB 4.06Å; F135-M141 HydrophobicContact CD2-CB 3.53Å; F135-M141 HydrophobicContact CD2-CG 3.79Å; F135-M141 HydrophobicContact CE2-CB 4.24Å; F135-M141 HydrophobicContact CE2-CG 4.24Å; F135-M141 HydrophobicContact CG-CB 3.93Å; F135-H144 HydrophobicContact CE1-CB 4Å; F135-H144 HydrophobicContact CE2-CB 4.02Å; F135-H144 AromaticContact CE2-CD2 3.49Å; F135-H144 VanDerWaalsContact CE2-CD2 3.49Å; F135-H144 WeakPolarHBondContact CE2-CD2 3.47Å; F135-H144 AromaticContact CE2-CG 3.89Å; F135-H144 HydrophobicContact CZ-CB 3.44Å; F135-H144 VanDerWaalsContact CZ-CB 3.44Å; F135-H144 AromaticContact CZ-CD2 3.39Å; F135-H144 WeakPolarHBondContact CZ-CD2 3.45Å; F135-H144 AromaticContact CZ-CG 3.35Å
136	A	93.3	Very high	91.9	Very high	30 Å²	30	61.1 Å²	61.1	25%	0.248	35%	0.353	C	S	.	.	S	Bend	trans	-71.5	-16.6	174.3	0	0	0	0	0	113.4	R118	R118-A136 HydrophobicContact CB-CB 4.42Å; R118-A136 PolarHBondContact NH1-O 3.01Å
137	L	93.4	Very high	91.3	Very high	40 Å²	40	62 Å²	62	21%	0.209	36%	0.364	C	S	.	.			trans	-134.9	132.8	-176	-57.3	177.9	0	0	0	112.2	R115 F126 F135 S139 R140 M141	R115-L137 HydrophobicContact CG-CD2 3.53Å; F126-L137 VanDerWaalsContact CD2-C 3.47Å; F135-L137 PolarHBondContact O-N 2.98Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 2.98Å; L137-R140 HydrophobicContact CB-CB 4.24Å; L137-R140 HydrophobicContact CB-CG 3.97Å; L137-R140 HydrophobicContact CD1-CG 4.13Å; L137-R140 HydrophobicContact CG-CG 4.5Å; L137-R140 PolarHBondContact O-N 3.42Å; L137-M141 PolarHBondContact O-N 2.86Å; L137-M141 VanDerWaalsContact O-N 3.14Å
138	A	93.6	Very high	90.8	Very high	45 Å²	45	62.7 Å²	62.7	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-53.5	-43	172.9	0	0	0	0	0	112.5	F126 R140 M141 A142	F126-A138 HydrophobicContact CD1-CB 3.82Å; F126-A138 HydrophobicContact CD2-CB 4.44Å; F126-A138 VanDerWaalsContact CD2-N 3.26Å; F126-A138 HydrophobicContact CE1-CB 3.72Å; F126-A138 HydrophobicContact CE2-CB 4.35Å; F126-A138 HydrophobicContact CG-CB 4.18Å; F126-A138 HydrophobicContact CZ-CB 3.99Å; A138-R140 VanDerWaalsContact C-N 3.26Å; A138-R140 PolarHBondContact O-N 2.91Å; A138-M141 PolarHBondContact O-N 3.07Å; A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 3.49Å
139	S	91.8	Very high	90.3	Very high	81 Å²	81	69.4 Å²	69.4	57%	0.566	39%	0.392	S	S	*	.	H	α-helix	trans	-63.9	-29.2	179.6	58.3	0	0	0	0	113.7	L137 E143	L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 2.98Å; S139-E143 VanDerWaalsContact O-CB 3.26Å; S139-E143 WeakPolarHBondContact O-CB 3.32Å; S139-E143 PolarHBondContact O-N 3.31Å
140	R	91.2	Very high	89.6	Confident	132 Å²	132	67.2 Å²	67.2	50%	0.498	39%	0.387	S	S	.	.	H	α-helix	trans	-78.6	-35.9	176.5	-66.2	-64.2	-172.8	161.3	5.5	111.8	F135 L137 A138 E143 H144	F135-R140 HydrophobicContact CB-CB 4.44Å; F135-R140 HydrophobicContact CD1-CB 4.01Å; F135-R140 HydrophobicContact CG-CB 4.49Å; L137-R140 HydrophobicContact CB-CB 4.24Å; L137-R140 HydrophobicContact CB-CG 3.97Å; L137-R140 HydrophobicContact CD1-CG 4.13Å; L137-R140 HydrophobicContact CG-CG 4.5Å; L137-R140 PolarHBondContact O-N 3.42Å; A138-R140 VanDerWaalsContact C-N 3.26Å; A138-R140 PolarHBondContact O-N 2.91Å; R140-E143 WeakPolarHBondContact CD-OE2 3.32Å; R140-E143 IonicContact NH1-OE2 3.81Å; R140-E143 PolarHBondContact NH1-OE2 2.85Å; R140-H144 WeakPolarHBondContact O-CB 3.41Å; R140-H144 PolarHBondContact O-N 2.99Å
141	M	94.1	Very high	89	Confident	32 Å²	32	65.2 Å²	65.2	16%	0.158	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-49.4	171.1	-176.9	-81	-72.4	0	0	110.5	F126 F135 L137 A138 E143 H144 Q145	F126-M141 HydrophobicContact CB-CB 4.06Å; F126-M141 HydrophobicContact CB-CG 4.36Å; F135-M141 HydrophobicContact CB-CB 4.06Å; F135-M141 HydrophobicContact CD2-CB 3.53Å; F135-M141 HydrophobicContact CD2-CG 3.79Å; F135-M141 HydrophobicContact CE2-CB 4.24Å; F135-M141 HydrophobicContact CE2-CG 4.24Å; F135-M141 HydrophobicContact CG-CB 3.93Å; L137-M141 PolarHBondContact O-N 2.86Å; L137-M141 VanDerWaalsContact O-N 3.14Å; A138-M141 PolarHBondContact O-N 3.07Å; M141-E143 VanDerWaalsContact C-N 3.31Å; M141-E143 PolarHBondContact O-N 2.64Å; M141-H144 CarbonylContact O-C 3.57Å; M141-H144 WeakPolarHBondContact O-CA 3.48Å; M141-H144 WeakPolarHBondContact O-CB 3.49Å; M141-H144 PolarHBondContact O-N 3.29Å; M141-Q145 PolarHBondContact O-N 3.17Å; M141-Q145 HydrophobicContact SD-CG 3.83Å; M141-Q145 PolarHBondContact SD-OE1 2.89Å
142	A	90.7	Very high	88.5	Confident	46 Å²	46	69.3 Å²	69.3	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-37.8	176.7	0	0	0	0	0	112.8	A138 H144 Q145	A138-A142 WeakPolarHBondContact O-CB 3.41Å; A138-A142 PolarHBondContact O-N 3.49Å; A142-H144 VanDerWaalsContact C-N 3.33Å; A142-Q145 PolarHBondContact O-N 2.82Å
143	E	87.4	Confident	88.1	Confident	53 Å²	53	70.3 Å²	70.3	25%	0.248	38%	0.382	C	S	.	.	H	α-helix	trans	-62.7	-40.4	171.6	179.4	179.9	-150.5	0	0	111.9	S139 R140 M141 K146 K165	S139-E143 VanDerWaalsContact O-CB 3.26Å; S139-E143 WeakPolarHBondContact O-CB 3.32Å; S139-E143 PolarHBondContact O-N 3.31Å; R140-E143 WeakPolarHBondContact CD-OE2 3.32Å; R140-E143 IonicContact NH1-OE2 3.81Å; R140-E143 PolarHBondContact NH1-OE2 2.85Å; M141-E143 VanDerWaalsContact C-N 3.31Å; M141-E143 PolarHBondContact O-N 2.64Å; E143-K146 WeakPolarHBondContact O-CB 3.46Å; E143-K146 PolarHBondContact O-N 3.11Å; E143-K165 VanDerWaalsContact CD-CE 3.48Å; E143-K165 WeakPolarHBondContact OE1-CD 3.49Å; E143-K165 WeakPolarHBondContact OE1-CE 3.41Å; E143-K165 WeakPolarHBondContact OE1-CG 3.41Å; E143-K165 IonicContact OE1-NZ 3.68Å; E143-K165 PolarHBondContact OE1-NZ 3.17Å; E143-K165 IonicContact OE2-NZ 3.51Å; E143-K165 PolarHBondContact OE2-NZ 2.91Å; E143-K165 VanDerWaalsContact OE2-NZ 3.08Å
144	H	89.1	Confident	87.9	Confident	32 Å²	32	67.8 Å²	67.8	15%	0.148	37%	0.371	C	S	.	.	H	α-helix	trans	-67.7	-36.7	177.5	168.1	65.6	0	0	0	112.8	C131 F135 R140 M141 A142 K146 V147 H148	C131-H144 PolarHBondContact SG-NE2 3.12Å; F135-H144 HydrophobicContact CE1-CB 4Å; F135-H144 HydrophobicContact CE2-CB 4.02Å; F135-H144 AromaticContact CE2-CD2 3.49Å; F135-H144 VanDerWaalsContact CE2-CD2 3.49Å; F135-H144 WeakPolarHBondContact CE2-CD2 3.47Å; F135-H144 AromaticContact CE2-CG 3.89Å; F135-H144 HydrophobicContact CZ-CB 3.44Å; F135-H144 VanDerWaalsContact CZ-CB 3.44Å; F135-H144 AromaticContact CZ-CD2 3.39Å; F135-H144 WeakPolarHBondContact CZ-CD2 3.45Å; F135-H144 AromaticContact CZ-CG 3.35Å; R140-H144 WeakPolarHBondContact O-CB 3.41Å; R140-H144 PolarHBondContact O-N 2.99Å; M141-H144 CarbonylContact O-C 3.57Å; M141-H144 WeakPolarHBondContact O-CA 3.48Å; M141-H144 WeakPolarHBondContact O-CB 3.49Å; M141-H144 PolarHBondContact O-N 3.29Å; A142-H144 VanDerWaalsContact C-N 3.33Å; H144-K146 PolarHBondContact O-N 3.12Å; H144-K146 VanDerWaalsContact O-N 3.12Å; H144-V147 WeakPolarHBondContact O-CB 3.43Å; H144-V147 WeakPolarHBondContact O-CG2 3.47Å; H144-V147 PolarHBondContact O-N 3.43Å; H144-H148 AromaticContact CE1-NE2 3.78Å; H144-H148 AromaticContact NE2-NE2 3.39Å; H144-H148 PolarHBondContact NE2-NE2 3.33Å
145	Q	88.7	Confident	87.5	Confident	58 Å²	58	69.8 Å²	69.8	27%	0.271	38%	0.379	S	S	.	.	H	α-helix	trans	-57.3	-28.6	177.1	-73.8	-178.7	-57.1	0	0	113.1	M141 A142 V147 H148 M149	M141-Q145 PolarHBondContact O-N 3.17Å; M141-Q145 HydrophobicContact SD-CG 3.83Å; M141-Q145 PolarHBondContact SD-OE1 2.89Å; A142-Q145 PolarHBondContact O-N 2.82Å; Q145-V147 PolarHBondContact O-N 3.34Å; Q145-V147 VanDerWaalsContact O-N 3.1Å; Q145-H148 PolarHBondContact O-N 3.08Å; Q145-M149 PolarHBondContact O-N 3.01Å
146	K	86.6	Confident	87.3	Confident	86 Å²	86	68.1 Å²	68.1	37%	0.374	37%	0.372	S	S	.	.	H	α-helix	trans	-59.7	-23.1	173.9	-58.3	-177	-179.4	-175.4	0	113.3	E143 H144 G150 V151	E143-K146 WeakPolarHBondContact O-CB 3.46Å; E143-K146 PolarHBondContact O-N 3.11Å; H144-K146 PolarHBondContact O-N 3.12Å; H144-K146 VanDerWaalsContact O-N 3.12Å; K146-G150 PolarHBondContact O-N 3.44Å; K146-V151 PolarHBondContact O-N 3.3Å; K146-V151 VanDerWaalsContact O-N 3.11Å
147	V	84.5	Confident	87.1	Confident	85 Å²	85	71.5 Å²	71.5	52%	0.515	39%	0.394	S	S	.	.	H	α-helix	trans	-68.3	-42.5	174.3	-178.5	0	0	0	0	110.8	H144 Q145 M149 G150	H144-V147 WeakPolarHBondContact O-CB 3.43Å; H144-V147 WeakPolarHBondContact O-CG2 3.47Å; H144-V147 PolarHBondContact O-N 3.43Å; Q145-V147 PolarHBondContact O-N 3.34Å; Q145-V147 VanDerWaalsContact O-N 3.1Å; V147-M149 VanDerWaalsContact C-N 3.34Å; V147-G150 PolarHBondContact O-N 3.46Å
148	H	83.9	Confident	86.9	Confident	85 Å²	85	74.2 Å²	74.2	39%	0.394	41%	0.412	S	S	.	.	H	α-helix	trans	-67.3	-36.5	178.2	-66.9	-64.6	0	0	0	112	D130 C131 H144 Q145 G150	D130-H148 IonicContact OD2-CD2 2.78Å; D130-H148 IonicContact OD2-CG 3.76Å; C131-H148 PolarHBondContact SG-NE2 3.36Å; H144-H148 AromaticContact CE1-NE2 3.78Å; H144-H148 AromaticContact NE2-NE2 3.39Å; H144-H148 PolarHBondContact NE2-NE2 3.33Å; Q145-H148 PolarHBondContact O-N 3.08Å; H148-G150 PolarHBondContact O-N 3.13Å
149	M	82.5	Confident	86.7	Confident	142 Å²	142	74.5 Å²	74.5	70%	0.7	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.3	176.8	-55.5	176	73.3	0	0	113.7	Q145 V147 V151	Q145-M149 PolarHBondContact O-N 3.01Å; V147-M149 VanDerWaalsContact C-N 3.34Å; M149-V151 HydrophobicContact CB-CB 4.42Å; M149-V151 HydrophobicContact CB-CG2 3.67Å; M149-V151 HydrophobicContact CE-CG2 4.42Å; M149-V151 PolarHBondContact O-N 3.38Å
150	G	79	Confident	86.5	Confident	52 Å²	52	74.9 Å²	74.9	54%	0.536	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	9	-173.1	0	0	0	0	0	114.7	K146 V147 H148 R152	K146-G150 PolarHBondContact O-N 3.44Å; V147-G150 PolarHBondContact O-N 3.46Å; H148-G150 PolarHBondContact O-N 3.13Å; G150-R152 PolarHBondContact O-N 3.32Å
151	V	77	Confident	86.1	Confident	62 Å²	62	74.8 Å²	74.8	38%	0.376	42%	0.416	S	S	.	.			trans	-71.3	104.4	-174.1	176.6	0	0	0	0	109.4	K146 M149 P153	K146-V151 PolarHBondContact O-N 3.3Å; K146-V151 VanDerWaalsContact O-N 3.11Å; M149-V151 HydrophobicContact CB-CB 4.42Å; M149-V151 HydrophobicContact CB-CG2 3.67Å; M149-V151 HydrophobicContact CE-CG2 4.42Å; M149-V151 PolarHBondContact O-N 3.38Å; V151-P153 HydrophobicContact CG1-CG 4.41Å; V151-P153 WeakPolarHBondContact O-CD 3.47Å
152	R	80.6	Confident	85.7	Confident	151 Å²	151	75.4 Å²	75.4	57%	0.57	42%	0.423	S	S	*	.			trans	-116.4	76	177.1	-70.6	176.7	149.1	-174.1	-4.5	110.1	G150 F154 C162 F163 T164	G150-R152 PolarHBondContact O-N 3.32Å; R152-F154 PolarHBondContact O-N 3.36Å; R152-C162 HydrophobicContact CB-CB 3.46Å; R152-C162 VanDerWaalsContact CB-CB 3.46Å; R152-C162 WeakPolarHBondContact CD-O 3.23Å; R152-C162 HydrophobicContact CG-CB 4.34Å; R152-C162 PolarHBondContact NE-O 3.32Å; R152-F163 CarbonylContact C-O 3.54Å; R152-F163 VanDerWaalsContact C-O 3.26Å; R152-F163 VanDerWaalsContact CA-O 3.25Å; R152-F163 WeakPolarHBondContact CA-O 3.34Å; R152-T164 HydrophobicContact CG-CG2 3.79Å
153	P	82.1	Confident	85.4	Confident	74 Å²	74	75.1 Å²	75.1	48%	0.481	41%	0.413	S	S	.	.			trans	-74.1	-9.9	-169.1	30.7	-32.5	0	0	0	112.8	V151	V151-P153 HydrophobicContact CG1-CG 4.41Å; V151-P153 WeakPolarHBondContact O-CD 3.47Å
154	F	87.4	Confident	85.2	Confident	68 Å²	68	74.2 Å²	74.2	30%	0.298	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	101	-176.7	-55.9	-72.6	0	0	0	110	R152 C162 F163 T164 S166 L169	R152-F154 PolarHBondContact O-N 3.36Å; F154-C162 CarbonylContact O-C 3.22Å; F154-C162 WeakPolarHBondContact O-CA 3.48Å; F154-F163 HydrophobicContact CB-CB 4.22Å; F154-F163 WeakPolarHBondContact CD2-O 3.41Å; F154-F163 PolarHBondContact N-O 3.4Å; F154-F163 PolarHBondContact O-N 2.91Å; F154-T164 WeakPolarHBondContact CE2-O 3.47Å; F154-S166 VanDerWaalsContact CD2-N 3.31Å; F154-S166 VanDerWaalsContact CE2-N 3.34Å; F154-L169 HydrophobicContact CB-CB 4.09Å; F154-L169 HydrophobicContact CB-CD2 3.87Å
155	V	87.4	Confident	85	Confident	77 Å²	77	75.5 Å²	75.5	47%	0.467	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.1	-177.4	-171	0	0	0	0	110.8	C162 L169	V155-C162 HydrophobicContact CG2-CB 4.49Å; V155-L169 WeakPolarHBondContact O-CD2 3.31Å
156	C	89.6	Confident	84.9	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	43%	0.426	C	S	.	.			trans	-75.3	121.8	170	-175.1	0	0	0	0	110.3	V158 S160 K161 F163 L169 H172 H176	C156-V158 PolarHBondContact O-N 3.05Å; C156-S160 WeakPolarHBondContact O-CA 2.93Å; C156-S160 PolarHBondContact O-N 3.44Å; C156-K161 WeakPolarHBondContact CB-O 3.45Å; C156-K161 PolarHBondContact N-O 3.05Å; C156-F163 HydrophobicContact CB-CE2 4.41Å; C156-L169 HydrophobicContact CB-CD1 3.68Å; C156-H172 VanDerWaalsContact SG-CD2 3.59Å; C156-H176 PolarHBondContact SG-NE2 3.1Å; C156-H176 VanDerWaalsContact SG-NE2 3.44Å
157	S	89	Confident	84.9	Confident	101 Å²	101	74.5 Å²	74.5	71%	0.706	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.6	178.4	55.2	0	0	0	0	114.2
158	V	88.7	Confident	85.1	Confident	97 Å²	97	73.2 Å²	73.2	59%	0.588	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-40.7	-176.9	-177.8	0	0	0	0	111.9	C156 H176	C156-V158 PolarHBondContact O-N 3.05Å; V158-H176 HydrophobicContact CG1-CB 4.3Å; V158-H176 HydrophobicContact CG2-CB 4.42Å
159	C	89.5	Confident	85.4	Confident	51 Å²	51	70 Å²	70	35%	0.345	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	11.5	-174.7	71.9	0	0	0	0	114.1	K161 H172 H176	C159-K161 PolarHBondContact O-N 3.34Å; C159-H172 PolarHBondContact SG-NE2 2.89Å; C159-H176 PolarHBondContact SG-NE2 2.97Å; C159-H176 VanDerWaalsContact SG-NE2 3.36Å
160	S	86.9	Confident	85.6	Confident	89 Å²	89	67.9 Å²	67.9	62%	0.622	40%	0.398	S	S	*	.			trans	57.4	10.6	178.4	-57.1	0	0	0	0	116.2	C156 C162	C156-S160 WeakPolarHBondContact O-CA 2.93Å; C156-S160 PolarHBondContact O-N 3.44Å; S160-C162 PolarHBondContact O-N 3.49Å; S160-C162 PolarHBondContact O-SG 3.07Å
161	K	84.7	Confident	85.9	Confident	130 Å²	130	69.9 Å²	69.9	57%	0.565	39%	0.393	S	S	*	.			trans	-66.4	132.6	174.6	-74.7	-173.1	-179	-177.5	0	111.2	C156 C159 F163	C156-K161 WeakPolarHBondContact CB-O 3.45Å; C156-K161 PolarHBondContact N-O 3.05Å; C159-K161 PolarHBondContact O-N 3.34Å; K161-F163 HydrophobicContact CB-CE2 3.95Å; K161-F163 HydrophobicContact CB-CZ 4.17Å; K161-F163 WeakPolarHBondContact O-CD2 3.43Å; K161-F163 WeakPolarHBondContact O-CE2 3.3Å
162	C	84.9	Confident	86.4	Confident	45 Å²	45	68 Å²	68	30%	0.304	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.8	-178.3	-49.2	0	0	0	0	112.1	R152 F154 V155 S160	R152-C162 HydrophobicContact CB-CB 3.46Å; R152-C162 VanDerWaalsContact CB-CB 3.46Å; R152-C162 WeakPolarHBondContact CD-O 3.23Å; R152-C162 HydrophobicContact CG-CB 4.34Å; R152-C162 PolarHBondContact NE-O 3.32Å; F154-C162 CarbonylContact O-C 3.22Å; F154-C162 WeakPolarHBondContact O-CA 3.48Å; V155-C162 HydrophobicContact CG2-CB 4.49Å; S160-C162 PolarHBondContact O-N 3.49Å; S160-C162 PolarHBondContact O-SG 3.07Å
163	F	84.4	Confident	86.8	Confident	39 Å²	39	65.4 Å²	65.4	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.8	-177.6	-59.5	-92.6	0	0	0	111	R152 F154 C156 K161 N168 L169 H172	R152-F163 CarbonylContact C-O 3.54Å; R152-F163 VanDerWaalsContact C-O 3.26Å; R152-F163 VanDerWaalsContact CA-O 3.25Å; R152-F163 WeakPolarHBondContact CA-O 3.34Å; F154-F163 HydrophobicContact CB-CB 4.22Å; F154-F163 WeakPolarHBondContact CD2-O 3.41Å; F154-F163 PolarHBondContact N-O 3.4Å; F154-F163 PolarHBondContact O-N 2.91Å; C156-F163 HydrophobicContact CB-CE2 4.41Å; K161-F163 HydrophobicContact CB-CE2 3.95Å; K161-F163 HydrophobicContact CB-CZ 4.17Å; K161-F163 WeakPolarHBondContact O-CD2 3.43Å; K161-F163 WeakPolarHBondContact O-CE2 3.3Å; F163-N168 HydrophobicContact CB-CB 4.32Å; F163-N168 HydrophobicContact CD1-CB 3.81Å; F163-N168 HydrophobicContact CG-CB 4.33Å; F163-L169 HydrophobicContact CB-CB 4.38Å; F163-L169 HydrophobicContact CD2-CB 3.88Å; F163-L169 HydrophobicContact CD2-CD1 3.85Å; F163-L169 HydrophobicContact CD2-CG 4.44Å; F163-L169 HydrophobicContact CE2-CD1 3.91Å; F163-L169 HydrophobicContact CG-CB 4.24Å; F163-H172 HydrophobicContact CE1-CB 3.98Å; F163-H172 HydrophobicContact CE2-CB 3.96Å; F163-H172 AromaticContact CE2-CD2 3.57Å; F163-H172 AromaticContact CE2-CG 3.75Å; F163-H172 HydrophobicContact CZ-CB 3.44Å; F163-H172 VanDerWaalsContact CZ-CB 3.44Å; F163-H172 AromaticContact CZ-CD2 3.55Å; F163-H172 AromaticContact CZ-CG 3.27Å; F163-H172 AromaticContact CZ-ND1 3.76Å
164	T	83.5	Confident	86.9	Confident	34 Å²	34	63 Å²	63	21%	0.209	36%	0.359	C	S	.	.	S	Bend	trans	-81	-15.8	175.4	52.5	0	0	0	0	113.2	R152 F154	R152-T164 HydrophobicContact CG-CG2 3.79Å; F154-T164 WeakPolarHBondContact CE2-O 3.47Å
165	K	83.9	Confident	86.8	Confident	60 Å²	60	64 Å²	64	26%	0.261	37%	0.367	S	S	.	.	S	Bend	trans	-133	142.5	-179	-51.9	-175.3	-168.3	-147.7	0	111.4	E143 S167 N168 L169	E143-K165 VanDerWaalsContact CD-CE 3.48Å; E143-K165 WeakPolarHBondContact OE1-CD 3.49Å; E143-K165 WeakPolarHBondContact OE1-CE 3.41Å; E143-K165 WeakPolarHBondContact OE1-CG 3.41Å; E143-K165 IonicContact OE1-NZ 3.68Å; E143-K165 PolarHBondContact OE1-NZ 3.17Å; E143-K165 IonicContact OE2-NZ 3.51Å; E143-K165 PolarHBondContact OE2-NZ 2.91Å; E143-K165 VanDerWaalsContact OE2-NZ 3.08Å; K165-S167 VanDerWaalsContact C-N 3.35Å; K165-S167 PolarHBondContact O-N 3.42Å; K165-N168 HydrophobicContact CB-CB 4.43Å; K165-N168 PolarHBondContact O-N 3.05Å; K165-L169 PolarHBondContact O-N 3.39Å
166	S	87.3	Confident	86.7	Confident	66 Å²	66	63.9 Å²	63.9	46%	0.462	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-37.4	176.5	64	0	0	0	0	112.5	F154 N168 L169 T170	F154-S166 VanDerWaalsContact CD2-N 3.31Å; F154-S166 VanDerWaalsContact CE2-N 3.34Å; S166-N168 VanDerWaalsContact C-N 3.28Å; S166-N168 PolarHBondContact O-N 2.78Å; S166-L169 WeakPolarHBondContact O-CB 3.39Å; S166-L169 PolarHBondContact O-N 3.16Å; S166-L169 VanDerWaalsContact O-N 3.11Å; S166-T170 PolarHBondContact O-N 2.76Å; S166-T170 PolarHBondContact O-OG1 3.36Å
167	S	87	Confident	86.3	Confident	56 Å²	56	67.4 Å²	67.4	39%	0.392	39%	0.386	S	S	.	.	H	α-helix	trans	-57.1	-42.7	177.2	56.7	0	0	0	0	111.9	K165 L169 T170 E171	K165-S167 VanDerWaalsContact C-N 3.35Å; K165-S167 PolarHBondContact O-N 3.42Å; S167-L169 VanDerWaalsContact C-N 3.33Å; S167-L169 PolarHBondContact O-N 3.3Å; S167-T170 PolarHBondContact O-N 3.04Å; S167-E171 WeakPolarHBondContact O-CB 3.39Å; S167-E171 WeakPolarHBondContact O-CG 3.49Å; S167-E171 PolarHBondContact O-N 3.21Å
168	N	88.2	Confident	85.8	Confident	59 Å²	59	65 Å²	65	32%	0.316	38%	0.377	S	S	.	.	H	α-helix	trans	-67.1	-37	179.1	-64.3	12.7	0	0	0	111.1	F163 K165 S166 H172	F163-N168 HydrophobicContact CB-CB 4.32Å; F163-N168 HydrophobicContact CD1-CB 3.81Å; F163-N168 HydrophobicContact CG-CB 4.33Å; K165-N168 HydrophobicContact CB-CB 4.43Å; K165-N168 PolarHBondContact O-N 3.05Å; S166-N168 VanDerWaalsContact C-N 3.28Å; S166-N168 PolarHBondContact O-N 2.78Å; N168-H172 WeakPolarHBondContact O-CB 3.28Å; N168-H172 PolarHBondContact O-N 3.44Å
169	L	89	Confident	85.4	Confident	17 Å²	17	64.5 Å²	64.5	9%	0.089	37%	0.374	C	S	.	.	H	α-helix	trans	-65.3	-43.6	172.8	172.1	61	0	0	0	111.3	F154 V155 C156 F163 K165 S166 S167 H172 K173	F154-L169 HydrophobicContact CB-CB 4.09Å; F154-L169 HydrophobicContact CB-CD2 3.87Å; V155-L169 WeakPolarHBondContact O-CD2 3.31Å; C156-L169 HydrophobicContact CB-CD1 3.68Å; F163-L169 HydrophobicContact CB-CB 4.38Å; F163-L169 HydrophobicContact CD2-CB 3.88Å; F163-L169 HydrophobicContact CD2-CD1 3.85Å; F163-L169 HydrophobicContact CD2-CG 4.44Å; F163-L169 HydrophobicContact CE2-CD1 3.91Å; F163-L169 HydrophobicContact CG-CB 4.24Å; K165-L169 PolarHBondContact O-N 3.39Å; S166-L169 WeakPolarHBondContact O-CB 3.39Å; S166-L169 PolarHBondContact O-N 3.16Å; S166-L169 VanDerWaalsContact O-N 3.11Å; S167-L169 VanDerWaalsContact C-N 3.33Å; S167-L169 PolarHBondContact O-N 3.3Å; L169-H172 WeakPolarHBondContact O-CB 3.37Å; L169-H172 PolarHBondContact O-N 3.18Å; L169-K173 HydrophobicContact CD1-CG 4.21Å; L169-K173 WeakPolarHBondContact O-CG 3.5Å; L169-K173 PolarHBondContact O-N 3.34Å
170	T	87.6	Confident	85.1	Confident	97 Å²	97	69.4 Å²	69.4	60%	0.595	39%	0.385	S	S	*	.	H	α-helix	trans	-60.7	-47.6	177	-59.6	0	0	0	0	111.3	S166 S167 H172 K173 A174	S166-T170 PolarHBondContact O-N 2.76Å; S166-T170 PolarHBondContact O-OG1 3.36Å; S167-T170 PolarHBondContact O-N 3.04Å; T170-H172 VanDerWaalsContact C-N 3.3Å; T170-H172 PolarHBondContact O-N 3.31Å; T170-K173 PolarHBondContact O-N 2.89Å; T170-A174 PolarHBondContact O-N 2.79Å
171	E	85.3	Confident	85.1	Confident	95 Å²	95	69.2 Å²	69.2	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-59.6	-41.2	173.9	-77.1	178.2	-166.4	0	0	111.7	S167 A174 M193	S167-E171 WeakPolarHBondContact O-CB 3.39Å; S167-E171 WeakPolarHBondContact O-CG 3.49Å; S167-E171 PolarHBondContact O-N 3.21Å; E171-A174 WeakPolarHBondContact O-CB 3.34Å; E171-A174 PolarHBondContact O-N 3.12Å; E171-M193 HydrophobicContact CB-CE 3.91Å; E171-M193 VanDerWaalsContact O-CE 3.28Å; E171-M193 WeakPolarHBondContact O-CE 3.16Å
172	H	88.3	Confident	85.3	Confident	23 Å²	23	66.2 Å²	66.2	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-64	-39.8	175.9	173.8	68.3	0	0	0	112.6	C156 C159 F163 N168 L169 T170 A174 I175 H176	C156-H172 VanDerWaalsContact SG-CD2 3.59Å; C159-H172 PolarHBondContact SG-NE2 2.89Å; F163-H172 HydrophobicContact CE1-CB 3.98Å; F163-H172 HydrophobicContact CE2-CB 3.96Å; F163-H172 AromaticContact CE2-CD2 3.57Å; F163-H172 AromaticContact CE2-CG 3.75Å; F163-H172 HydrophobicContact CZ-CB 3.44Å; F163-H172 VanDerWaalsContact CZ-CB 3.44Å; F163-H172 AromaticContact CZ-CD2 3.55Å; F163-H172 AromaticContact CZ-CG 3.27Å; F163-H172 AromaticContact CZ-ND1 3.76Å; N168-H172 WeakPolarHBondContact O-CB 3.28Å; N168-H172 PolarHBondContact O-N 3.44Å; L169-H172 WeakPolarHBondContact O-CB 3.37Å; L169-H172 PolarHBondContact O-N 3.18Å; T170-H172 VanDerWaalsContact C-N 3.3Å; T170-H172 PolarHBondContact O-N 3.31Å; H172-A174 PolarHBondContact O-N 2.83Å; H172-I175 VanDerWaalsContact O-CB 3.25Å; H172-I175 WeakPolarHBondContact O-CB 3.3Å; H172-I175 WeakPolarHBondContact O-CG1 3.21Å; H172-I175 PolarHBondContact O-N 3.39Å; H172-H176 AromaticContact CD2-NE2 3.79Å; H172-H176 AromaticContact CE1-NE2 3.55Å; H172-H176 AromaticContact NE2-CD2 3.8Å; H172-H176 AromaticContact NE2-CE1 3.95Å; H172-H176 AromaticContact NE2-NE2 3Å; H172-H176 PolarHBondContact NE2-NE2 3.27Å
173	K	87.5	Confident	85.6	Confident	95 Å²	95	71.1 Å²	71.1	41%	0.413	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-29.2	177.3	-76.5	-178	177.1	-170.6	0	112.7	L169 T170 I175 H176 S177	L169-K173 HydrophobicContact CD1-CG 4.21Å; L169-K173 WeakPolarHBondContact O-CG 3.5Å; L169-K173 PolarHBondContact O-N 3.34Å; T170-K173 PolarHBondContact O-N 2.89Å; K173-I175 PolarHBondContact O-N 3.38Å; K173-H176 PolarHBondContact O-N 3.26Å; K173-S177 PolarHBondContact O-N 3.23Å
174	A	84.9	Confident	85.9	Confident	23 Å²	23	69.3 Å²	69.3	19%	0.19	38%	0.378	C	S	.	.	H	α-helix	trans	-64.4	-17.1	174.9	0	0	0	0	0	113.4	T170 E171 H172 S177 A192	T170-A174 PolarHBondContact O-N 2.79Å; E171-A174 WeakPolarHBondContact O-CB 3.34Å; E171-A174 PolarHBondContact O-N 3.12Å; H172-A174 PolarHBondContact O-N 2.83Å; A174-S177 PolarHBondContact O-OG 3.31Å; A174-A192 HydrophobicContact CB-CB 4.28Å
175	I	84.4	Confident	86.2	Confident	90 Å²	90	71.4 Å²	71.4	46%	0.462	41%	0.407	S	S	.	.	H	α-helix	trans	-73.6	-40.1	172.7	-56.9	171.1	0	0	0	110.2	H172 K173	H172-I175 VanDerWaalsContact O-CB 3.25Å; H172-I175 WeakPolarHBondContact O-CB 3.3Å; H172-I175 WeakPolarHBondContact O-CG1 3.21Å; H172-I175 PolarHBondContact O-N 3.39Å; K173-I175 PolarHBondContact O-N 3.38Å
176	H	85.4	Confident	86.4	Confident	75 Å²	75	74.4 Å²	74.4	35%	0.347	42%	0.422	S	S	.	.	H	α-helix	trans	-74.5	-33.9	-178.4	-63.4	-55.5	0	0	0	112.8	C156 V158 C159 H172 K173 G178	C156-H176 PolarHBondContact SG-NE2 3.1Å; C156-H176 VanDerWaalsContact SG-NE2 3.44Å; V158-H176 HydrophobicContact CG1-CB 4.3Å; V158-H176 HydrophobicContact CG2-CB 4.42Å; C159-H176 PolarHBondContact SG-NE2 2.97Å; C159-H176 VanDerWaalsContact SG-NE2 3.36Å; H172-H176 AromaticContact CD2-NE2 3.79Å; H172-H176 AromaticContact CE1-NE2 3.55Å; H172-H176 AromaticContact NE2-CD2 3.8Å; H172-H176 AromaticContact NE2-CE1 3.95Å; H172-H176 AromaticContact NE2-NE2 3Å; H172-H176 PolarHBondContact NE2-NE2 3.27Å; K173-H176 PolarHBondContact O-N 3.26Å; H176-G178 PolarHBondContact O-N 3.11Å
177	S	82.4	Confident	86.6	Confident	73 Å²	73	74 Å²	74	51%	0.51	42%	0.418	S	S	.	.	S	Bend	trans	-73.5	-15.7	179.2	64.7	0	0	0	0	113.4	K173 A174 V179	K173-S177 PolarHBondContact O-N 3.23Å; A174-S177 PolarHBondContact O-OG 3.31Å; S177-V179 PolarHBondContact O-N 3.47Å; S177-V179 PolarHBondContact OG-N 3.07Å
178	G	78.1	Confident	86.6	Confident	51 Å²	51	72.8 Å²	72.8	53%	0.526	42%	0.415	S	S	.	.			trans	65.3	-2.7	-173.4	0	0	0	0	0	114.5	H176 R180	H176-G178 PolarHBondContact O-N 3.11Å; G178-R180 PolarHBondContact O-N 2.84Å
179	V	79.8	Confident	86.7	Confident	87 Å²	87	73.1 Å²	73.1	53%	0.527	42%	0.419	S	S	.	.			trans	-70	121.7	-176.5	-180	0	0	0	0	109.2	S177 P181	S177-V179 PolarHBondContact O-N 3.47Å; S177-V179 PolarHBondContact OG-N 3.07Å; V179-P181 HydrophobicContact CG1-CG 4.47Å; V179-P181 WeakPolarHBondContact O-CD 3.43Å
180	R	84.1	Confident	86.8	Confident	153 Å²	153	73.8 Å²	73.8	58%	0.577	43%	0.427	S	S	*	.			trans	-119.6	76.7	-179.6	-69.5	169.5	177.2	-94.4	1.6	109.7	G178 H182 A190 F191 A192	G178-R180 PolarHBondContact O-N 2.84Å; R180-H182 PolarHBondContact O-N 3.48Å; R180-A190 HydrophobicContact CB-CB 3.68Å; R180-A190 WeakPolarHBondContact CD-O 3.44Å; R180-A190 PolarHBondContact NH1-O 3.06Å; R180-F191 CarbonylContact C-O 3.56Å; R180-F191 WeakPolarHBondContact CA-O 3.46Å; R180-A192 HydrophobicContact CG-CB 4.42Å
181	P	85.6	Confident	86.7	Confident	86 Å²	86	70.5 Å²	70.5	56%	0.558	40%	0.404	S	S	*	.			trans	-76.7	-13.6	-171.3	30.8	-30.2	0	0	0	112.5	V179 F191	V179-P181 HydrophobicContact CG1-CG 4.47Å; V179-P181 WeakPolarHBondContact O-CD 3.43Å; P181-F191 WeakPolarHBondContact CD-O 3.45Å
182	H	89.5	Confident	86.7	Confident	66 Å²	66	66.7 Å²	66.7	31%	0.306	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	93.2	-175.1	-55.8	-68.5	0	0	0	110.5	R180 A190 F191 A194 L197	R180-H182 PolarHBondContact O-N 3.48Å; H182-A190 CarbonylContact O-C 3.33Å; H182-A190 WeakPolarHBondContact O-CA 3.5Å; H182-F191 HydrophobicContact CB-CB 4.4Å; H182-F191 WeakPolarHBondContact CB-O 3.46Å; H182-F191 PolarHBondContact N-O 2.93Å; H182-F191 PolarHBondContact O-N 3.25Å; H182-A194 PolarHBondContact CD2-N 3.5Å; H182-A194 PolarHBondContact NE2-N 2.83Å; H182-L197 HydrophobicContact CB-CB 4.13Å; H182-L197 HydrophobicContact CB-CD2 3.89Å
183	K	90.7	Very high	86.6	Confident	148 Å²	148	66.8 Å²	66.8	64%	0.643	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.2	178.8	-165.1	175.9	177.8	-179.5	0	111.3	G188	K183-G188 VanDerWaalsContact CE-CA 3.49Å; K183-G188 WeakPolarHBondContact CE-O 3.27Å; K183-G188 VanDerWaalsContact CG-O 3.3Å; K183-G188 WeakPolarHBondContact CG-O 3.25Å
184	C	91.9	Very high	86.6	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.007	39%	0.388	C	S	.	.			trans	-71.3	127.8	169.1	-178	0	0	0	0	109.7	E186 G188 V189 L197	C184-E186 VanDerWaalsContact C-N 3.28Å; C184-E186 PolarHBondContact O-N 2.89Å; C184-G188 WeakPolarHBondContact O-CA 3.37Å; C184-G188 PolarHBondContact O-N 3.45Å; C184-V189 WeakPolarHBondContact CB-O 3.18Å; C184-V189 PolarHBondContact N-O 2.88Å; C184-L197 HydrophobicContact CB-CD1 3.64Å
185	G	89.5	Confident	86.7	Confident	79 Å²	79	67 Å²	67	81%	0.814	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.1	177.7	0	0	0	0	0	113.6
186	E	88	Confident	86.9	Confident	122 Å²	122	67.6 Å²	67.6	57%	0.57	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-45.9	-172.9	-66.7	167.7	-141.4	0	0	113	C184 H204	C184-E186 VanDerWaalsContact C-N 3.28Å; C184-E186 PolarHBondContact O-N 2.89Å; E186-H204 WeakPolarHBondContact OE2-CB 3.35Å; E186-H204 IonicContact OE2-CD2 2.7Å; E186-H204 PolarHBondContact OE2-CD2 3.4Å; E186-H204 IonicContact OE2-CG 3.17Å; E186-H204 IonicContact OE2-ND1 3.08Å
187	C	92.1	Very high	87.1	Confident	57 Å²	57	65 Å²	65	39%	0.385	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-0.6	-177.5	68.9	0	0	0	0	114.1	V189 H200 H204	C187-V189 PolarHBondContact O-N 3.1Å; C187-V189 VanDerWaalsContact O-N 3.09Å; C187-V189 VanDerWaalsContact SG-CG2 3.55Å; C187-H200 PolarHBondContact SG-NE2 3.29Å; C187-H204 PolarHBondContact SG-NE2 2.88Å
188	G	86.9	Confident	87.4	Confident	31 Å²	31	65 Å²	65	32%	0.32	39%	0.387	S	S	.	.			trans	72.2	-1.8	178.1	0	0	0	0	0	116.1	K183 C184 A190	K183-G188 VanDerWaalsContact CE-CA 3.49Å; K183-G188 WeakPolarHBondContact CE-O 3.27Å; K183-G188 VanDerWaalsContact CG-O 3.3Å; K183-G188 WeakPolarHBondContact CG-O 3.25Å; C184-G188 WeakPolarHBondContact O-CA 3.37Å; C184-G188 PolarHBondContact O-N 3.45Å; G188-A190 PolarHBondContact O-N 2.88Å
189	V	90.4	Very high	87.9	Confident	66 Å²	66	70.9 Å²	70.9	40%	0.4	39%	0.393	S	S	.	.			trans	-65	131.8	179.2	179.1	0	0	0	0	110.6	C184 C187 F191	C184-V189 WeakPolarHBondContact CB-O 3.18Å; C184-V189 PolarHBondContact N-O 2.88Å; C187-V189 PolarHBondContact O-N 3.1Å; C187-V189 VanDerWaalsContact O-N 3.09Å; C187-V189 VanDerWaalsContact SG-CG2 3.55Å; V189-F191 HydrophobicContact CB-CE2 4.07Å; V189-F191 HydrophobicContact CB-CZ 4.17Å; V189-F191 HydrophobicContact CG1-CE1 4.13Å; V189-F191 HydrophobicContact CG1-CE2 3.73Å; V189-F191 HydrophobicContact CG1-CZ 3.49Å; V189-F191 VanDerWaalsContact CG1-CZ 3.49Å; V189-F191 WeakPolarHBondContact O-CE2 3.35Å
190	A	89.8	Confident	88.4	Confident	31 Å²	31	68.3 Å²	68.3	26%	0.256	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.2	-177	0	0	0	0	0	112.9	R180 H182 G188	R180-A190 HydrophobicContact CB-CB 3.68Å; R180-A190 WeakPolarHBondContact CD-O 3.44Å; R180-A190 PolarHBondContact NH1-O 3.06Å; H182-A190 CarbonylContact O-C 3.33Å; H182-A190 WeakPolarHBondContact O-CA 3.5Å; G188-A190 PolarHBondContact O-N 2.88Å
191	F	86.6	Confident	88.7	Confident	29 Å²	29	64.2 Å²	64.2	13%	0.127	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.5	-176.4	-58.2	-88.5	0	0	0	111.2	R180 P181 H182 V189 M193 R196 L197 H200	R180-F191 CarbonylContact C-O 3.56Å; R180-F191 WeakPolarHBondContact CA-O 3.46Å; P181-F191 WeakPolarHBondContact CD-O 3.45Å; H182-F191 HydrophobicContact CB-CB 4.4Å; H182-F191 WeakPolarHBondContact CB-O 3.46Å; H182-F191 PolarHBondContact N-O 2.93Å; H182-F191 PolarHBondContact O-N 3.25Å; V189-F191 HydrophobicContact CB-CE2 4.07Å; V189-F191 HydrophobicContact CB-CZ 4.17Å; V189-F191 HydrophobicContact CG1-CE1 4.13Å; V189-F191 HydrophobicContact CG1-CE2 3.73Å; V189-F191 HydrophobicContact CG1-CZ 3.49Å; V189-F191 VanDerWaalsContact CG1-CZ 3.49Å; V189-F191 WeakPolarHBondContact O-CE2 3.35Å; F191-M193 PolarHBondContact O-N 3.39Å; F191-R196 HydrophobicContact CB-CB 4.21Å; F191-R196 HydrophobicContact CD1-CB 3.83Å; F191-R196 HydrophobicContact CG-CB 4.22Å; F191-L197 HydrophobicContact CB-CB 4.42Å; F191-L197 HydrophobicContact CD2-CB 3.82Å; F191-L197 HydrophobicContact CD2-CD1 3.93Å; F191-L197 HydrophobicContact CD2-CG 4.47Å; F191-L197 HydrophobicContact CE2-CB 4.5Å; F191-L197 HydrophobicContact CE2-CD1 3.99Å; F191-L197 HydrophobicContact CG-CB 4.32Å; F191-H200 HydrophobicContact CE1-CB 4.14Å; F191-H200 HydrophobicContact CE2-CB 3.92Å; F191-H200 AromaticContact CE2-CD2 3.73Å; F191-H200 AromaticContact CE2-CG 3.77Å; F191-H200 HydrophobicContact CZ-CB 3.49Å; F191-H200 VanDerWaalsContact CZ-CB 3.49Å; F191-H200 AromaticContact CZ-CD2 3.74Å; F191-H200 AromaticContact CZ-CG 3.34Å; F191-H200 AromaticContact CZ-ND1 3.71Å
192	A	85.5	Confident	88.8	Confident	15 Å²	15	65.6 Å²	65.6	12%	0.124	36%	0.36	C	S	.	.	S	Bend	trans	-71.4	-16.1	173.5	0	0	0	0	0	113	A174 R180	A174-A192 HydrophobicContact CB-CB 4.28Å; R180-A192 HydrophobicContact CG-CB 4.42Å
193	M	86.1	Confident	88.7	Confident	24 Å²	24	66.8 Å²	66.8	12%	0.118	37%	0.368	C	S	.	.	S	Bend	trans	-136.2	134.3	-174.8	-60.5	167.4	-176	0	0	110.6	E171 F191 S195 R196 L197	E171-M193 HydrophobicContact CB-CE 3.91Å; E171-M193 VanDerWaalsContact O-CE 3.28Å; E171-M193 WeakPolarHBondContact O-CE 3.16Å; F191-M193 PolarHBondContact O-N 3.39Å; M193-S195 VanDerWaalsContact C-N 3.28Å; M193-S195 PolarHBondContact O-N 3.48Å; M193-R196 HydrophobicContact CB-CB 4.45Å; M193-R196 HydrophobicContact CB-CG 4.2Å; M193-R196 PolarHBondContact O-N 3.11Å; M193-R196 VanDerWaalsContact O-N 3.13Å; M193-R196 HydrophobicContact SD-CG 4.46Å; M193-L197 PolarHBondContact O-N 2.91Å
194	A	86.4	Confident	88.3	Confident	47 Å²	47	61.5 Å²	61.5	39%	0.388	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-38.3	177.5	0	0	0	0	0	112.7	H182 R196 L197 V198	H182-A194 PolarHBondContact CD2-N 3.5Å; H182-A194 PolarHBondContact NE2-N 2.83Å; A194-R196 PolarHBondContact O-N 3.43Å; A194-L197 WeakPolarHBondContact O-CB 3.46Å; A194-L197 PolarHBondContact O-N 3.01Å; A194-L197 VanDerWaalsContact O-N 3.13Å; A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 3.47Å
195	S	87	Confident	87.5	Confident	77 Å²	77	66.1 Å²	66.1	54%	0.538	37%	0.37	S	S	.	.	H	α-helix	trans	-60.6	-33.3	178	56.9	0	0	0	0	113	M193 R199	M193-S195 VanDerWaalsContact C-N 3.28Å; M193-S195 PolarHBondContact O-N 3.48Å; S195-R199 WeakPolarHBondContact O-CB 3.33Å; S195-R199 PolarHBondContact O-N 2.79Å
196	R	88.1	Confident	86.2	Confident	101 Å²	101	67.7 Å²	67.7	38%	0.381	36%	0.36	S	S	.	.	H	α-helix	trans	-73.2	-37.2	175.8	-69.7	-174.2	176.8	158	-0.2	112	F191 M193 A194 H200	F191-R196 HydrophobicContact CB-CB 4.21Å; F191-R196 HydrophobicContact CD1-CB 3.83Å; F191-R196 HydrophobicContact CG-CB 4.22Å; M193-R196 HydrophobicContact CB-CB 4.45Å; M193-R196 HydrophobicContact CB-CG 4.2Å; M193-R196 PolarHBondContact O-N 3.11Å; M193-R196 VanDerWaalsContact O-N 3.13Å; M193-R196 HydrophobicContact SD-CG 4.46Å; A194-R196 PolarHBondContact O-N 3.43Å; R196-H200 VanDerWaalsContact O-CB 3.28Å; R196-H200 WeakPolarHBondContact O-CB 3.24Å; R196-H200 PolarHBondContact O-N 3.25Å
197	L	90.4	Very high	84.8	Confident	22 Å²	22	67.2 Å²	67.2	12%	0.115	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-50.3	171.8	171.1	60.3	0	0	0	110.8	H182 C184 F191 M193 A194 R199 H200 Q201	H182-L197 HydrophobicContact CB-CB 4.13Å; H182-L197 HydrophobicContact CB-CD2 3.89Å; C184-L197 HydrophobicContact CB-CD1 3.64Å; F191-L197 HydrophobicContact CB-CB 4.42Å; F191-L197 HydrophobicContact CD2-CB 3.82Å; F191-L197 HydrophobicContact CD2-CD1 3.93Å; F191-L197 HydrophobicContact CD2-CG 4.47Å; F191-L197 HydrophobicContact CE2-CB 4.5Å; F191-L197 HydrophobicContact CE2-CD1 3.99Å; F191-L197 HydrophobicContact CG-CB 4.32Å; M193-L197 PolarHBondContact O-N 2.91Å; A194-L197 WeakPolarHBondContact O-CB 3.46Å; A194-L197 PolarHBondContact O-N 3.01Å; A194-L197 VanDerWaalsContact O-N 3.13Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 2.94Å; L197-H200 CarbonylContact O-C 3.57Å; L197-H200 WeakPolarHBondContact O-CA 3.39Å; L197-H200 WeakPolarHBondContact O-CB 3.49Å; L197-H200 PolarHBondContact O-N 3.39Å; L197-Q201 HydrophobicContact CD1-CG 4.03Å; L197-Q201 HydrophobicContact CG-CG 4.45Å; L197-Q201 WeakPolarHBondContact O-CG 3.47Å; L197-Q201 PolarHBondContact O-N 3.29Å
198	V	89.4	Confident	82.9	Confident	72 Å²	72	70.1 Å²	70.1	44%	0.436	38%	0.376	S	S	.	.	H	α-helix	trans	-56.8	-46	178.2	171	0	0	0	0	110.8	A194 H200 Q201 F202	A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 3.47Å; V198-H200 VanDerWaalsContact C-N 3.31Å; V198-H200 PolarHBondContact O-N 2.93Å; V198-Q201 PolarHBondContact O-N 3.49Å; V198-F202 HydrophobicContact CG1-CE2 3.88Å; V198-F202 WeakPolarHBondContact O-CD2 3.38Å
199	R	88.4	Confident	80.9	Confident	174 Å²	174	74.2 Å²	74.2	66%	0.657	40%	0.396	S	S	*	.	H	α-helix	trans	-60.3	-41.1	175	-173	175.2	62.6	-177.3	3.5	112.5	S195 L197 F202	S195-R199 WeakPolarHBondContact O-CB 3.33Å; S195-R199 PolarHBondContact O-N 2.79Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 2.94Å; R199-F202 PolarHBondContact O-N 3.22Å
200	H	89.9	Confident	78.4	Confident	33 Å²	33	78.1 Å²	78.1	15%	0.153	41%	0.414	C	S	.	.	H	α-helix	trans	-67.1	-37.2	178.7	170.7	80.5	0	0	0	112.4	C187 F191 R196 L197 V198 F202 I203 H204	C187-H200 PolarHBondContact SG-NE2 3.29Å; F191-H200 HydrophobicContact CE1-CB 4.14Å; F191-H200 HydrophobicContact CE2-CB 3.92Å; F191-H200 AromaticContact CE2-CD2 3.73Å; F191-H200 AromaticContact CE2-CG 3.77Å; F191-H200 HydrophobicContact CZ-CB 3.49Å; F191-H200 VanDerWaalsContact CZ-CB 3.49Å; F191-H200 AromaticContact CZ-CD2 3.74Å; F191-H200 AromaticContact CZ-CG 3.34Å; F191-H200 AromaticContact CZ-ND1 3.71Å; R196-H200 VanDerWaalsContact O-CB 3.28Å; R196-H200 WeakPolarHBondContact O-CB 3.24Å; R196-H200 PolarHBondContact O-N 3.25Å; L197-H200 CarbonylContact O-C 3.57Å; L197-H200 WeakPolarHBondContact O-CA 3.39Å; L197-H200 WeakPolarHBondContact O-CB 3.49Å; L197-H200 PolarHBondContact O-N 3.39Å; V198-H200 VanDerWaalsContact C-N 3.31Å; V198-H200 PolarHBondContact O-N 2.93Å; H200-F202 PolarHBondContact O-N 3.27Å; H200-I203 VanDerWaalsContact O-CB 3.24Å; H200-I203 WeakPolarHBondContact O-CB 3.42Å; H200-I203 WeakPolarHBondContact O-CG1 3.46Å; H200-I203 PolarHBondContact O-N 2.75Å; H200-H204 AromaticContact CD2-NE2 3.76Å; H200-H204 AromaticContact CE1-NE2 3.68Å; H200-H204 AromaticContact NE2-CD2 3.89Å; H200-H204 AromaticContact NE2-CE1 3.92Å; H200-H204 AromaticContact NE2-NE2 3.02Å; H200-H204 PolarHBondContact NE2-NE2 3.34Å
201	Q	89.6	Confident	76.1	Confident	68 Å²	68	84.7 Å²	84.7	32%	0.318	44%	0.444	S	S	.	.	H	α-helix	trans	-60.7	-29.5	177.3	-72.8	172.6	-53.3	0	0	113	L197 V198 I203 H204 N205	L197-Q201 HydrophobicContact CD1-CG 4.03Å; L197-Q201 HydrophobicContact CG-CG 4.45Å; L197-Q201 WeakPolarHBondContact O-CG 3.47Å; L197-Q201 PolarHBondContact O-N 3.29Å; V198-Q201 PolarHBondContact O-N 3.49Å; Q201-I203 PolarHBondContact O-N 2.84Å; Q201-H204 PolarHBondContact O-N 3.49Å; Q201-H204 VanDerWaalsContact O-N 3.16Å; Q201-N205 PolarHBondContact O-N 3.02Å
202	F	88.1	Confident	73.5	Confident	115 Å²	115	88.4 Å²	88.4	50%	0.504	47%	0.474	S	S	.	.	H	α-helix	trans	-62.4	-25.2	172.9	-71.8	-77.2	0	0	0	113.4	V198 R199 H200 H204 N205 N206	V198-F202 HydrophobicContact CG1-CE2 3.88Å; V198-F202 WeakPolarHBondContact O-CD2 3.38Å; R199-F202 PolarHBondContact O-N 3.22Å; H200-F202 PolarHBondContact O-N 3.27Å; F202-H204 VanDerWaalsContact C-N 3.31Å; F202-N205 PolarHBondContact O-N 3.3Å; F202-N206 WeakPolarHBondContact O-CB 3.3Å; F202-N206 VanDerWaalsContact O-CG 3.25Å; F202-N206 PolarHBondContact O-N 3.12Å; F202-N206 PolarHBondContact O-ND2 3.36Å
203	I	87.3	Confident	71	Confident	91 Å²	91	92.8 Å²	92.8	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-64.4	-42.2	176.3	-58.7	171.9	0	0	0	109.6	H200 Q201 N206 N207	H200-I203 VanDerWaalsContact O-CB 3.24Å; H200-I203 WeakPolarHBondContact O-CB 3.42Å; H200-I203 WeakPolarHBondContact O-CG1 3.46Å; H200-I203 PolarHBondContact O-N 2.75Å; Q201-I203 PolarHBondContact O-N 2.84Å; I203-N206 PolarHBondContact O-N 2.83Å; I203-N207 VanDerWaalsContact O-CG 3.23Å; I203-N207 PolarHBondContact O-N 3.03Å; I203-N207 PolarHBondContact O-ND2 3.37Å; I203-N207 VanDerWaalsContact O-ND2 3.11Å
204	H	83.7	Confident	68.5	Low	36 Å²	36	98 Å²	98	17%	0.167	54%	0.536	C	S	.	.	H	α-helix	trans	-69.3	-42.3	177.5	-57.8	-56.2	0	0	0	111.9	E186 C187 H200 Q201 F202 N206 N207 V208	E186-H204 WeakPolarHBondContact OE2-CB 3.35Å; E186-H204 IonicContact OE2-CD2 2.7Å; E186-H204 PolarHBondContact OE2-CD2 3.4Å; E186-H204 IonicContact OE2-CG 3.17Å; E186-H204 IonicContact OE2-ND1 3.08Å; C187-H204 PolarHBondContact SG-NE2 2.88Å; H200-H204 AromaticContact CD2-NE2 3.76Å; H200-H204 AromaticContact CE1-NE2 3.68Å; H200-H204 AromaticContact NE2-CD2 3.89Å; H200-H204 AromaticContact NE2-CE1 3.92Å; H200-H204 AromaticContact NE2-NE2 3.02Å; H200-H204 PolarHBondContact NE2-NE2 3.34Å; Q201-H204 PolarHBondContact O-N 3.49Å; Q201-H204 VanDerWaalsContact O-N 3.16Å; F202-H204 VanDerWaalsContact C-N 3.31Å; H204-N206 PolarHBondContact O-N 3.26Å; H204-N207 PolarHBondContact O-N 3.46Å; H204-V208 WeakPolarHBondContact O-CG2 3.49Å; H204-V208 PolarHBondContact O-N 3.33Å
205	N	73.6	Confident	66.2	Low	99 Å²	99	101.4 Å²	101.4	53%	0.529	56%	0.555	S	S	.	*	H	α-helix	trans	-60.4	-31.6	175.4	-74.8	10	0	0	0	113.5	Q201 F202	Q201-N205 PolarHBondContact O-N 3.02Å; F202-N205 PolarHBondContact O-N 3.3Å
206	N	63.9	Low	63.6	Low	112 Å²	112	106.7 Å²	106.7	60%	0.599	57%	0.571	S	S	*	*	H	α-helix	trans	-81.6	-16	176.3	-70.2	-39.1	0	0	0	113.6	F202 I203 H204 T209	F202-N206 WeakPolarHBondContact O-CB 3.3Å; F202-N206 VanDerWaalsContact O-CG 3.25Å; F202-N206 PolarHBondContact O-N 3.12Å; F202-N206 PolarHBondContact O-ND2 3.36Å; I203-N206 PolarHBondContact O-N 2.83Å; H204-N206 PolarHBondContact O-N 3.26Å; N206-T209 PolarHBondContact O-OG1 2.84Å
207	N	56.7	Low	61.1	Low	112 Å²	112	107.4 Å²	107.4	60%	0.599	59%	0.591	S	S	*	*	H	α-helix	trans	-86.8	-15.9	176.3	-71.6	-29	0	0	0	112.9	I203 H204	I203-N207 VanDerWaalsContact O-CG 3.23Å; I203-N207 PolarHBondContact O-N 3.03Å; I203-N207 PolarHBondContact O-ND2 3.37Å; I203-N207 VanDerWaalsContact O-ND2 3.11Å; H204-N207 PolarHBondContact O-N 3.46Å
208	V	52.8	Low	58.4	Low	117 Å²	117	118.1 Å²	118.1	71%	0.709	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-81.6	-16.7	179.9	179.2	0	0	0	0	112.6	H204 N210	H204-V208 WeakPolarHBondContact O-CG2 3.49Å; H204-V208 PolarHBondContact O-N 3.33Å; V208-N210 PolarHBondContact O-N 3.25Å
209	T	44.6	Very low	56.9	Low	118 Å²	118	120.5 Å²	120.5	72%	0.724	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-87.8	10.6	-175.8	53.1	0	0	0	0	115.5	N206	N206-T209 PolarHBondContact O-OG1 2.84Å
210	N	37.7	Very low	55.2	Low	147 Å²	147	117.6 Å²	117.6	79%	0.786	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-117.2	21.2	-175.4	-136.7	-11.2	0	0	0	115.3	V208	V208-N210 PolarHBondContact O-N 3.25Å
211	L	43.2	Very low	53.3	Low	170 Å²	170	122.3 Å²	122.3	89%	0.89	69%	0.686	S	S	*	*			trans	-141.4	79.1	174	-88.6	158.7	0	0	0	110.8
212	S	32.2	Very low	51.1	Low	107 Å²	107	125.5 Å²	125.5	75%	0.748	71%	0.708	S	S	*	*			trans	-156.5	90.3	152	62.4	0	0	0	0	111.1
213	S	33.1	Very low	48.8	Very low	106 Å²	106	126.2 Å²	126.2	74%	0.741	72%	0.72	S	S	*	*			trans	46.8	106.9	132.7	55.7	0	0	0	0	119.2	P215	S213-P215 WeakPolarHBondContact O-CD 3.26Å
214	V	33.6	Very low	46.3	Very low	133 Å²	133	128.5 Å²	128.5	81%	0.806	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-60.6	128.7	145.9	176.9	0	0	0	0	109.1
215	P	36.1	Very low	43.6	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-90.1	117.2	155.6	-2.9	22.4	0	0	0	108.9	S213	S213-P215 WeakPolarHBondContact O-CD 3.26Å
216	Q	33.5	Very low	41.3	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.1	130.2	162.1	-98.7	168.8	-43.5	0	0	109.2
217	S	36.5	Very low	39.4	Very low	115 Å²	115	140.1 Å²	140.1	80%	0.804	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71.5	134.3	168.4	48.4	0	0	0	0	111.6
218	L	33	Very low	37.8	Very low	248 Å²	248	142.6 Å²	142.6	100%	1.298	83%	0.833	S	S	*	*			trans	-138.1	0	136.6	-94	167.9	0	0	0	107.5

Retrieved 218 of 218 residues in 162.7 ms (Link to these results)

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