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Mediator of RNA polymerase II transcription subunit 6

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession G4V7I9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MED6, Length 293 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	55.6	Low	235 Å²	235	130.2 Å²	130.2	100%	1.158	72%	0.717	S	S	*	*				0	74.6	0	-57	-71.3	-175.6	0	0	106.6
2	S	32	Very low	58.5	Low	113 Å²	113	124.8 Å²	124.8	79%	0.79	69%	0.69	S	S	*	*			cis	-147.1	109.6	43.4	-48	0	0	0	0	107	Q4	S2-Q4 PolarHBondContact O-N 3.12Å
3	S	35.3	Very low	61.2	Low	120 Å²	120	121.2 Å²	121.2	84%	0.839	68%	0.679	S	S	*	*			trans	-75.4	84.1	168.5	-48	0	0	0	0	105.4	V5	S3-V5 PolarHBondContact O-N 3.07Å; S3-V5 VanDerWaalsContact O-N 3.11Å
4	Q	40	Very low	63.6	Low	175 Å²	175	114.4 Å²	114.4	82%	0.818	64%	0.638	S	S	*	*			trans	-44.9	124.7	169.8	-88.9	-178.2	-18.4	0	0	106.6	S2 K6	S2-Q4 PolarHBondContact O-N 3.12Å; Q4-K6 PolarHBondContact O-N 2.79Å
5	V	41.6	Very low	65.5	Low	125 Å²	125	111 Å²	111	76%	0.758	62%	0.624	S	S	*	*			trans	-52.1	99	166.5	177.3	0	0	0	0	104.4	S3 E7	S3-V5 PolarHBondContact O-N 3.07Å; S3-V5 VanDerWaalsContact O-N 3.11Å; V5-E7 HydrophobicContact CG1-CG 4.25Å; V5-E7 PolarHBondContact O-N 2.87Å
6	K	53.2	Low	67.1	Low	165 Å²	165	106.3 Å²	106.3	72%	0.717	60%	0.597	S	S	*	*			trans	-70.4	84.3	169.2	-137.7	179.7	-174	-179.7	0	101.2	Q4 D8	Q4-K6 PolarHBondContact O-N 2.79Å; K6-D8 PolarHBondContact O-N 2.73Å
7	E	57.5	Low	68.3	Low	144 Å²	144	105.8 Å²	105.8	67%	0.673	60%	0.599	S	S	*	*			trans	-42.3	139.8	173.2	-69.3	178.3	166.8	0	0	106.8	V5 L9	V5-E7 HydrophobicContact CG1-CG 4.25Å; V5-E7 PolarHBondContact O-N 2.87Å; E7-L9 HydrophobicContact CB-CD1 3.69Å; E7-L9 WeakPolarHBondContact O-CD1 3.44Å; E7-L9 PolarHBondContact O-N 3.09Å
8	D	72.7	Confident	69.4	Low	141 Å²	141	104.1 Å²	104.1	75%	0.754	60%	0.601	S	S	*	*			trans	-67.6	67.3	-170.6	-72.3	-40.8	0	0	0	111.6	K6 Y10 G11	K6-D8 PolarHBondContact O-N 2.73Å; D8-Y10 PolarHBondContact O-N 3.36Å; D8-Y10 VanDerWaalsContact O-N 3.1Å; D8-G11 PolarHBondContact O-N 2.68Å; D8-G11 VanDerWaalsContact O-N 3.1Å
9	L	80	Confident	70.1	Confident	46 Å²	46	103.7 Å²	103.7	24%	0.241	59%	0.589	C	S	.	*	G	3₁₀ helix	trans	-63.7	-17.8	-176.6	-96.3	66.5	0	0	0	111.5	E7 G11 V12 F39	E7-L9 HydrophobicContact CB-CD1 3.69Å; E7-L9 WeakPolarHBondContact O-CD1 3.44Å; E7-L9 PolarHBondContact O-N 3.09Å; L9-G11 PolarHBondContact O-N 2.79Å; L9-V12 PolarHBondContact O-N 3.17Å; L9-V12 VanDerWaalsContact O-N 3.16Å; L9-F39 HydrophobicContact CB-CE1 4.04Å; L9-F39 HydrophobicContact CD2-CD1 3.87Å; L9-F39 HydrophobicContact CD2-CE1 4.16Å; L9-F39 HydrophobicContact CG-CD1 4.31Å; L9-F39 HydrophobicContact CG-CE1 4.1Å
10	Y	84.6	Confident	70.3	Confident	93 Å²	93	100.9 Å²	100.9	37%	0.365	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-62.3	-24.1	173.8	-61.1	-59.5	0	0	0	113.4	D8 Q106 T112	D8-Y10 PolarHBondContact O-N 3.36Å; D8-Y10 VanDerWaalsContact O-N 3.1Å; Y10-Q106 HydrophobicContact CD1-CB 4.29Å; Y10-Q106 HydrophobicContact CD1-CG 3.97Å; Y10-Q106 HydrophobicContact CE1-CG 3.9Å; Y10-T112 HydrophobicContact CE2-CG2 4.38Å
11	G	85.4	Confident	70.6	Confident	75 Å²	75	103.6 Å²	103.6	77%	0.773	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-90.8	-7.5	177	0	0	0	0	0	114.4	D8 L9	D8-G11 PolarHBondContact O-N 2.68Å; D8-G11 VanDerWaalsContact O-N 3.1Å; L9-G11 PolarHBondContact O-N 2.79Å
12	V	90.6	Very high	73.2	Confident	66 Å²	66	99.9 Å²	99.9	40%	0.4	56%	0.561	S	S	.	*			trans	-94.5	143.6	-175.5	-177.8	0	0	0	0	109.6	L9 P38 F39	L9-V12 PolarHBondContact O-N 3.17Å; L9-V12 VanDerWaalsContact O-N 3.16Å; V12-P38 HydrophobicContact CG1-CG 4.28Å; V12-F39 HydrophobicContact CB-CZ 4.27Å; V12-F39 HydrophobicContact CG1-CZ 4.36Å; V12-F39 WeakPolarHBondContact O-CZ 3.15Å
13	S	93.2	Very high	75.9	Confident	77 Å²	77	95.4 Å²	95.4	54%	0.538	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.5	168.2	69	0	0	0	0	108.9
14	W	94.3	Very high	78.5	Confident	27 Å²	27	91.7 Å²	91.7	10%	0.102	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.5	176.7	172.6	88.6	0	0	0	109.6	N16 Y31 D34 S36 N37 P38 F39 T103 V104	W14-N16 HydrophobicContact CH2-CB 3.84Å; W14-N16 HydrophobicContact CZ2-CB 3.59Å; W14-Y31 HydrophobicContact CH2-CD2 4.24Å; W14-Y31 HydrophobicContact CH2-CE1 4.33Å; W14-Y31 AromaticContact CH2-CE2 3.73Å; W14-Y31 HydrophobicContact CH2-CE2 3.73Å; W14-Y31 AromaticContact CH2-CZ 3.74Å; W14-Y31 WeakPolarHBondContact CH2-O 3.4Å; W14-Y31 HydrophobicContact CZ3-CD1 4.33Å; W14-Y31 AromaticContact CZ3-CE1 3.68Å; W14-Y31 HydrophobicContact CZ3-CE1 3.68Å; W14-Y31 AromaticContact CZ3-CE2 3.9Å; W14-Y31 HydrophobicContact CZ3-CE2 3.9Å; W14-Y31 AromaticContact CZ3-CZ 3.41Å; W14-Y31 VanDerWaalsContact CZ3-CZ 3.41Å; W14-Y31 WeakPolarHBondContact CZ3-OH 3.38Å; W14-D34 HydrophobicContact CH2-CB 3.89Å; W14-D34 HydrophobicContact CZ2-CB 3.93Å; W14-S36 WeakPolarHBondContact CZ2-OG 3.28Å; W14-S36 PolarHBondContact NE1-O 3.09Å; W14-S36 PolarHBondContact NE1-OG 3.2Å; W14-S36 VanDerWaalsContact NE1-OG 3.13Å; W14-N37 HydrophobicContact CD2-CB 3.84Å; W14-N37 HydrophobicContact CE3-CB 3.92Å; W14-N37 HydrophobicContact CG-CB 4.46Å; W14-N37 HydrophobicContact CH2-CB 4.07Å; W14-N37 HydrophobicContact CZ2-CB 3.99Å; W14-N37 HydrophobicContact CZ3-CB 4.03Å; W14-P38 HydrophobicContact CB-CG 4.25Å; W14-F39 HydrophobicContact CB-CE2 4.17Å; W14-T103 CarbonylContact O-C 3.55Å; W14-V104 HydrophobicContact CE3-CB 3.89Å; W14-V104 HydrophobicContact CE3-CG2 3.45Å; W14-V104 VanDerWaalsContact CE3-CG2 3.45Å; W14-V104 HydrophobicContact CZ3-CG2 3.61Å; W14-V104 PolarHBondContact N-O 3.16Å; W14-V104 VanDerWaalsContact N-O 3.12Å; W14-V104 PolarHBondContact O-N 3.12Å
15	S	93.3	Very high	81	Confident	63 Å²	63	85.9 Å²	85.9	44%	0.441	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.4	171.8	63.3	0	0	0	0	109.5	Y31 G102	S15-Y31 WeakPolarHBondContact CA-OH 3.47Å; S15-G102 WeakPolarHBondContact CB-O 3.42Å
16	N	91.4	Very high	83.4	Confident	35 Å²	35	83.9 Å²	83.9	19%	0.187	48%	0.477	C	S	.	.			trans	-113.1	106.5	168.5	177.9	-8	0	0	0	108.7	W14 A18 W19 Y31 D34	W14-N16 HydrophobicContact CH2-CB 3.84Å; W14-N16 HydrophobicContact CZ2-CB 3.59Å; N16-A18 PolarHBondContact O-N 3.08Å; N16-A18 VanDerWaalsContact O-N 3.08Å; N16-A18 VanDerWaalsContact OD1-CB 3.28Å; N16-A18 WeakPolarHBondContact OD1-CB 3.49Å; N16-A18 PolarHBondContact OD1-N 2.86Å; N16-W19 PolarHBondContact O-N 3.21Å; N16-Y31 HydrophobicContact CB-CE2 3.89Å; N16-Y31 PolarHBondContact N-OH 3.33Å; N16-D34 PolarHBondContact ND2-OD2 3.21Å
17	P	87.6	Confident	85.2	Confident	98 Å²	98	77.6 Å²	77.6	64%	0.636	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25	-177.8	-27	34.7	0	0	0	114.4	W19 S20	P17-W19 PolarHBondContact O-N 3.21Å; P17-S20 PolarHBondContact O-N 3.06Å
18	A	86.6	Confident	86.9	Confident	76 Å²	76	70.7 Å²	70.7	63%	0.628	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.2	-178.4	0	0	0	0	0	113.3	N16	N16-A18 PolarHBondContact O-N 3.08Å; N16-A18 VanDerWaalsContact O-N 3.08Å; N16-A18 VanDerWaalsContact OD1-CB 3.28Å; N16-A18 WeakPolarHBondContact OD1-CB 3.49Å; N16-A18 PolarHBondContact OD1-N 2.86Å
19	W	83.7	Confident	87.9	Confident	96 Å²	96	66.1 Å²	66.1	36%	0.364	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-11.9	-177.4	-68.9	80.4	0	0	0	113.6	N16 P17 H21 F22 L23 N27 Y31	N16-W19 PolarHBondContact O-N 3.21Å; P17-W19 PolarHBondContact O-N 3.21Å; W19-H21 PolarHBondContact O-N 3.45Å; W19-F22 PolarHBondContact O-N 3.38Å; W19-F22 VanDerWaalsContact O-N 3.12Å; W19-L23 HydrophobicContact CB-CD2 4.25Å; W19-N27 HydrophobicContact CZ3-CB 4.29Å; W19-Y31 HydrophobicContact CB-CD2 3.34Å; W19-Y31 HydrophobicContact CB-CE2 3.61Å; W19-Y31 HydrophobicContact CB-CG 4.35Å; W19-Y31 HydrophobicContact CD2-CD2 4.2Å; W19-Y31 AromaticContact CG-CD2 3.6Å; W19-Y31 HydrophobicContact CG-CD2 3.6Å; W19-Y31 HydrophobicContact CG-CE2 4.14Å
20	S	73.5	Confident	88.5	Confident	48 Å²	48	68.4 Å²	68.4	34%	0.336	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-55.4	-35	-166.9	-178.1	0	0	0	0	113.7	P17	P17-S20 PolarHBondContact O-N 3.06Å
21	H	76.6	Confident	88.9	Confident	157 Å²	157	64 Å²	64	73%	0.727	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-83.1	-11.4	-174.6	-59.1	-56.8	0	0	0	115.3	W19	W19-H21 PolarHBondContact O-N 3.45Å
22	F	84.6	Confident	89.3	Confident	157 Å²	157	60.4 Å²	60.4	69%	0.689	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-123.6	14.2	-169.2	-59.9	-73.5	0	0	0	113.7	W19 C24 N27	W19-F22 PolarHBondContact O-N 3.38Å; W19-F22 VanDerWaalsContact O-N 3.12Å; F22-C24 PolarHBondContact O-N 2.84Å; F22-N27 PolarHBondContact O-ND2 2.91Å
23	L	88.2	Confident	89.4	Confident	19 Å²	19	57.5 Å²	57.5	10%	0.099	34%	0.335	C	S	.	.			trans	-67.1	126.2	-175.1	-64.2	178.2	0	0	0	112.7	W19 N27 Y31 F78 V99 G102	W19-L23 HydrophobicContact CB-CD2 4.25Å; L23-N27 WeakPolarHBondContact CA-OD1 3.48Å; L23-Y31 HydrophobicContact CD1-CD1 4.41Å; L23-Y31 HydrophobicContact CD1-CE1 4.38Å; L23-Y31 HydrophobicContact CD2-CD1 3.95Å; L23-Y31 HydrophobicContact CD2-CD2 4.11Å; L23-Y31 HydrophobicContact CD2-CG 3.69Å; L23-F78 HydrophobicContact CB-CE2 4.06Å; L23-F78 HydrophobicContact CB-CZ 4.46Å; L23-V99 HydrophobicContact CD1-CG1 4.24Å; L23-G102 VanDerWaalsContact CD1-CA 3.43Å
24	C	90.9	Very high	89.3	Confident	43 Å²	43	55.9 Å²	55.9	29%	0.291	32%	0.32	S	S	.	.			trans	-141	161.4	-179.6	178	0	0	0	0	108.5	F22 A26 N27 V28 E74	F22-C24 PolarHBondContact O-N 2.84Å; C24-A26 PolarHBondContact O-N 3.24Å; C24-A26 VanDerWaalsContact O-N 3.09Å; C24-N27 PolarHBondContact N-OD1 3.49Å; C24-N27 PolarHBondContact O-N 3.49Å; C24-N27 VanDerWaalsContact O-N 3.09Å; C24-N27 PolarHBondContact O-OD1 3.07Å; C24-V28 WeakPolarHBondContact O-CB 3.32Å; C24-V28 PolarHBondContact O-N 3.21Å; C24-E74 PolarHBondContact SG-OE1 3.31Å
25	S	91.9	Very high	89	Confident	52 Å²	52	59 Å²	59	36%	0.364	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.2	177.4	50.8	0	0	0	0	113.6	L69 E74	S25-L69 VanDerWaalsContact O-CD2 3.29Å; S25-L69 WeakPolarHBondContact O-CD2 3.32Å; S25-E74 WeakPolarHBondContact CB-OE1 3.24Å; S25-E74 PolarHBondContact N-OE1 2.83Å; S25-E74 PolarHBondContact OG-OE1 2.81Å
26	A	90.8	Very high	88.9	Confident	84 Å²	84	59.1 Å²	59.1	69%	0.694	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-32.2	178.8	0	0	0	0	0	114.3	C24	C24-A26 PolarHBondContact O-N 3.24Å; C24-A26 VanDerWaalsContact O-N 3.09Å
27	N	92	Very high	89	Confident	32 Å²	32	57.7 Å²	57.7	17%	0.171	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-11.7	-172.8	70.8	7.7	0	0	0	114.1	W19 F22 L23 C24 L29 D30 Y31	W19-N27 HydrophobicContact CZ3-CB 4.29Å; F22-N27 PolarHBondContact O-ND2 2.91Å; L23-N27 WeakPolarHBondContact CA-OD1 3.48Å; C24-N27 PolarHBondContact N-OD1 3.49Å; C24-N27 PolarHBondContact O-N 3.49Å; C24-N27 VanDerWaalsContact O-N 3.09Å; C24-N27 PolarHBondContact O-OD1 3.07Å; N27-L29 PolarHBondContact O-N 2.99Å; N27-D30 WeakPolarHBondContact O-CB 3.34Å; N27-D30 PolarHBondContact O-N 3.48Å; N27-Y31 PolarHBondContact O-N 2.99Å
28	V	93.4	Very high	89.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-30	-175.9	66.6	0	0	0	0	112.5	C24 Y31 F32 L69 F78 I80 V99	C24-V28 WeakPolarHBondContact O-CB 3.32Å; C24-V28 PolarHBondContact O-N 3.21Å; V28-Y31 WeakPolarHBondContact O-CB 3.48Å; V28-F32 WeakPolarHBondContact O-CB 3.46Å; V28-F32 PolarHBondContact O-N 3.02Å; V28-L69 HydrophobicContact CG1-CD1 3.73Å; V28-L69 HydrophobicContact CG1-CD2 3.71Å; V28-L69 HydrophobicContact CG1-CG 4.29Å; V28-F78 HydrophobicContact CB-CD1 4.24Å; V28-F78 HydrophobicContact CB-CG 4.24Å; V28-F78 HydrophobicContact CG1-CB 4.5Å; V28-F78 HydrophobicContact CG1-CD1 4.02Å; V28-F78 HydrophobicContact CG1-CG 4.33Å; V28-F78 HydrophobicContact CG2-CB 3.76Å; V28-F78 HydrophobicContact CG2-CD1 4.22Å; V28-F78 HydrophobicContact CG2-CD2 3.96Å; V28-F78 HydrophobicContact CG2-CG 3.72Å; V28-I80 HydrophobicContact CG2-CD1 4.42Å; V28-V99 HydrophobicContact CG2-CB 4.37Å; V28-V99 HydrophobicContact CG2-CG1 4.35Å; V28-V99 HydrophobicContact CG2-CG2 4.19Å
29	L	93	Very high	89.5	Confident	45 Å²	45	53.2 Å²	53.2	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-70.7	-42.1	175.7	-166.4	141.7	0	0	0	110.9	N27 Y31 F32 C33	N27-L29 PolarHBondContact O-N 2.99Å; L29-Y31 VanDerWaalsContact C-N 3.33Å; L29-Y31 PolarHBondContact O-N 2.9Å; L29-F32 PolarHBondContact O-N 2.92Å; L29-C33 PolarHBondContact O-N 2.78Å; L29-C33 PolarHBondContact O-SG 2.92Å
30	D	91.9	Very high	90	Very high	93 Å²	93	49.4 Å²	49.4	50%	0.497	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-40.3	174.6	-66.2	-28.3	0	0	0	111.6	N27 F32 C33	N27-D30 WeakPolarHBondContact O-CB 3.34Å; N27-D30 PolarHBondContact O-N 3.48Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 3.26Å; D30-C33 PolarHBondContact O-N 3.28Å
31	Y	93.5	Very high	90.9	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-45.2	172.6	173.6	-111.5	0	0	0	112	W14 S15 N16 W19 L23 N27 V28 L29 C33 D34 V99 G102 V104	W14-Y31 HydrophobicContact CH2-CD2 4.24Å; W14-Y31 HydrophobicContact CH2-CE1 4.33Å; W14-Y31 AromaticContact CH2-CE2 3.73Å; W14-Y31 HydrophobicContact CH2-CE2 3.73Å; W14-Y31 AromaticContact CH2-CZ 3.74Å; W14-Y31 WeakPolarHBondContact CH2-O 3.4Å; W14-Y31 HydrophobicContact CZ3-CD1 4.33Å; W14-Y31 AromaticContact CZ3-CE1 3.68Å; W14-Y31 HydrophobicContact CZ3-CE1 3.68Å; W14-Y31 AromaticContact CZ3-CE2 3.9Å; W14-Y31 HydrophobicContact CZ3-CE2 3.9Å; W14-Y31 AromaticContact CZ3-CZ 3.41Å; W14-Y31 VanDerWaalsContact CZ3-CZ 3.41Å; W14-Y31 WeakPolarHBondContact CZ3-OH 3.38Å; S15-Y31 WeakPolarHBondContact CA-OH 3.47Å; N16-Y31 HydrophobicContact CB-CE2 3.89Å; N16-Y31 PolarHBondContact N-OH 3.33Å; W19-Y31 HydrophobicContact CB-CD2 3.34Å; W19-Y31 HydrophobicContact CB-CE2 3.61Å; W19-Y31 HydrophobicContact CB-CG 4.35Å; W19-Y31 HydrophobicContact CD2-CD2 4.2Å; W19-Y31 AromaticContact CG-CD2 3.6Å; W19-Y31 HydrophobicContact CG-CD2 3.6Å; W19-Y31 HydrophobicContact CG-CE2 4.14Å; L23-Y31 HydrophobicContact CD1-CD1 4.41Å; L23-Y31 HydrophobicContact CD1-CE1 4.38Å; L23-Y31 HydrophobicContact CD2-CD1 3.95Å; L23-Y31 HydrophobicContact CD2-CD2 4.11Å; L23-Y31 HydrophobicContact CD2-CG 3.69Å; N27-Y31 PolarHBondContact O-N 2.99Å; V28-Y31 WeakPolarHBondContact O-CB 3.48Å; L29-Y31 VanDerWaalsContact C-N 3.33Å; L29-Y31 PolarHBondContact O-N 2.9Å; Y31-C33 VanDerWaalsContact C-N 3.32Å; Y31-C33 PolarHBondContact O-N 3.4Å; Y31-D34 WeakPolarHBondContact O-CB 3.32Å; Y31-D34 PolarHBondContact O-N 2.99Å; Y31-V99 HydrophobicContact CD1-CG1 4.18Å; Y31-V99 HydrophobicContact CE1-CG1 3.92Å; Y31-G102 PolarHBondContact OH-O 3.17Å; Y31-V104 HydrophobicContact CD1-CG2 4.43Å; Y31-V104 HydrophobicContact CE1-CG2 3.68Å
32	F	94.4	Very high	91.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-30.8	178.8	-174.9	-90	0	0	0	112.7	V28 L29 D30 D34 N37 F39 Y40 F67 I80 Y97 V104	V28-F32 WeakPolarHBondContact O-CB 3.46Å; V28-F32 PolarHBondContact O-N 3.02Å; L29-F32 PolarHBondContact O-N 2.92Å; D30-F32 VanDerWaalsContact C-N 3.32Å; D30-F32 PolarHBondContact O-N 3.26Å; F32-D34 PolarHBondContact O-N 3.01Å; F32-N37 WeakPolarHBondContact CD2-ND2 3.42Å; F32-N37 PolarHBondContact O-ND2 2.99Å; F32-F39 HydrophobicContact CE2-CB 4.15Å; F32-F39 HydrophobicContact CZ-CB 3.93Å; F32-Y40 HydrophobicContact CD1-CD2 4.08Å; F32-Y40 HydrophobicContact CE1-CD2 4.07Å; F32-F67 HydrophobicContact CD1-CD1 4.25Å; F32-F67 HydrophobicContact CD1-CG 4.45Å; F32-F67 AromaticContact CE1-CD1 3.39Å; F32-F67 HydrophobicContact CE1-CD1 3.39Å; F32-F67 HydrophobicContact CE1-CD2 4.49Å; F32-F67 AromaticContact CE1-CE1 3.45Å; F32-F67 HydrophobicContact CE1-CE1 3.45Å; F32-F67 VanDerWaalsContact CE1-CE1 3.45Å; F32-F67 AromaticContact CE1-CG 3.94Å; F32-F67 HydrophobicContact CE1-CG 3.94Å; F32-F67 HydrophobicContact CE1-CZ 4.06Å; F32-F67 AromaticContact CZ-CD1 3.99Å; F32-F67 HydrophobicContact CZ-CD1 3.99Å; F32-F67 AromaticContact CZ-CE1 3.81Å; F32-F67 HydrophobicContact CZ-CE1 3.81Å; F32-I80 HydrophobicContact CB-CD1 3.34Å; F32-I80 HydrophobicContact CD1-CD1 4.22Å; F32-I80 HydrophobicContact CD1-CG2 4.33Å; F32-I80 HydrophobicContact CD2-CD1 3.56Å; F32-I80 HydrophobicContact CE1-CG2 4.35Å; F32-I80 HydrophobicContact CE2-CD1 4.42Å; F32-I80 HydrophobicContact CG-CD1 3.44Å; F32-I80 VanDerWaalsContact CG-CD1 3.44Å; F32-I80 HydrophobicContact CG-CG2 4.48Å; F32-I80 HydrophobicContact CZ-CG2 4.49Å; F32-Y97 HydrophobicContact CE2-CD1 4.3Å; F32-Y97 HydrophobicContact CE2-CD2 4.07Å; F32-Y97 AromaticContact CE2-CG 3.79Å; F32-Y97 HydrophobicContact CE2-CG 3.79Å; F32-Y97 HydrophobicContact CZ-CD1 4.37Å; F32-Y97 AromaticContact CZ-CD2 3.72Å; F32-Y97 HydrophobicContact CZ-CD2 3.72Å; F32-Y97 HydrophobicContact CZ-CE2 4.06Å; F32-Y97 AromaticContact CZ-CG 3.88Å; F32-Y97 HydrophobicContact CZ-CG 3.88Å; F32-V104 HydrophobicContact CD2-CG1 3.8Å; F32-V104 HydrophobicContact CD2-CG2 4.41Å; F32-V104 HydrophobicContact CE2-CG1 3.6Å
33	C	91.9	Very high	92	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.034	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	6.4	178.8	-66.2	0	0	0	0	114.4	L29 D30 Y31 Y40 R50	L29-C33 PolarHBondContact O-N 2.78Å; L29-C33 PolarHBondContact O-SG 2.92Å; D30-C33 PolarHBondContact O-N 3.28Å; Y31-C33 VanDerWaalsContact C-N 3.32Å; Y31-C33 PolarHBondContact O-N 3.4Å; C33-Y40 HydrophobicContact CB-CD2 4.35Å; C33-Y40 HydrophobicContact CB-CE1 4.24Å; C33-Y40 HydrophobicContact CB-CE2 3.87Å; C33-Y40 WeakPolarHBondContact SG-CE2 3.29Å; C33-R50 PolarHBondContact O-NH1 3.38Å
34	D	92.1	Very high	92.3	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	27%	0.272	C	S	.	.			trans	-60.5	137	175.4	-168.5	-3.1	0	0	0	110.8	W14 N16 Y31 F32 S36 N37	W14-D34 HydrophobicContact CH2-CB 3.89Å; W14-D34 HydrophobicContact CZ2-CB 3.93Å; N16-D34 PolarHBondContact ND2-OD2 3.21Å; Y31-D34 WeakPolarHBondContact O-CB 3.32Å; Y31-D34 PolarHBondContact O-N 2.99Å; F32-D34 PolarHBondContact O-N 3.01Å; D34-S36 PolarHBondContact O-N 3.16Å; D34-S36 VanDerWaalsContact O-N 3.16Å; D34-S36 PolarHBondContact OD1-N 3.07Å; D34-S36 PolarHBondContact OD2-OG 3.11Å; D34-S36 VanDerWaalsContact OD2-OG 3.08Å; D34-N37 VanDerWaalsContact O-CB 3.3Å; D34-N37 WeakPolarHBondContact O-CB 3.28Å; D34-N37 PolarHBondContact O-N 3.07Å
35	L	88.4	Confident	92.5	Very high	92 Å²	92	48 Å²	48	48%	0.482	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.8	-176.8	-81.6	77.7	0	0	0	113	N37 R42	L35-N37 VanDerWaalsContact C-N 3.32Å; L35-R42 PolarHBondContact O-NH2 3.37Å
36	S	91.4	Very high	92.6	Very high	67 Å²	67	46.2 Å²	46.2	47%	0.469	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.8	175.4	70.9	0	0	0	0	113	W14 D34 P38	W14-S36 WeakPolarHBondContact CZ2-OG 3.28Å; W14-S36 PolarHBondContact NE1-O 3.09Å; W14-S36 PolarHBondContact NE1-OG 3.2Å; W14-S36 VanDerWaalsContact NE1-OG 3.13Å; D34-S36 PolarHBondContact O-N 3.16Å; D34-S36 VanDerWaalsContact O-N 3.16Å; D34-S36 PolarHBondContact OD1-N 3.07Å; D34-S36 PolarHBondContact OD2-OG 3.11Å; D34-S36 VanDerWaalsContact OD2-OG 3.08Å; S36-P38 WeakPolarHBondContact O-CD 3.37Å
37	N	93	Very high	92.8	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.027	22%	0.221	C	C	.	.			trans	-74.9	117.6	179.1	-179.4	5.5	0	0	0	110.9	W14 F32 D34 L35 F39 Y40	W14-N37 HydrophobicContact CD2-CB 3.84Å; W14-N37 HydrophobicContact CE3-CB 3.92Å; W14-N37 HydrophobicContact CG-CB 4.46Å; W14-N37 HydrophobicContact CH2-CB 4.07Å; W14-N37 HydrophobicContact CZ2-CB 3.99Å; W14-N37 HydrophobicContact CZ3-CB 4.03Å; F32-N37 WeakPolarHBondContact CD2-ND2 3.42Å; F32-N37 PolarHBondContact O-ND2 2.99Å; D34-N37 VanDerWaalsContact O-CB 3.3Å; D34-N37 WeakPolarHBondContact O-CB 3.28Å; D34-N37 PolarHBondContact O-N 3.07Å; L35-N37 VanDerWaalsContact C-N 3.32Å; N37-F39 PolarHBondContact O-N 2.93Å; N37-F39 WeakPolarHBondContact OD1-CB 3.36Å; N37-F39 WeakPolarHBondContact OD1-CD2 3.43Å; N37-F39 PolarHBondContact OD1-N 3.08Å; N37-Y40 PolarHBondContact O-N 3.13Å
38	P	92.1	Very high	92.9	Very high	73 Å²	73	44.2 Å²	44.2	47%	0.474	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.1	179.2	29.6	-36	0	0	0	113.6	V12 W14 S36 Y40	V12-P38 HydrophobicContact CG1-CG 4.28Å; W14-P38 HydrophobicContact CB-CG 4.25Å; S36-P38 WeakPolarHBondContact O-CD 3.37Å; P38-Y40 VanDerWaalsContact C-N 3.34Å
39	F	92.6	Very high	92.9	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.026	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-17.7	179.4	-55.5	-63	0	0	0	113	L9 V12 W14 F32 N37 Y97 V104 Q106	L9-F39 HydrophobicContact CB-CE1 4.04Å; L9-F39 HydrophobicContact CD2-CD1 3.87Å; L9-F39 HydrophobicContact CD2-CE1 4.16Å; L9-F39 HydrophobicContact CG-CD1 4.31Å; L9-F39 HydrophobicContact CG-CE1 4.1Å; V12-F39 HydrophobicContact CB-CZ 4.27Å; V12-F39 HydrophobicContact CG1-CZ 4.36Å; V12-F39 WeakPolarHBondContact O-CZ 3.15Å; W14-F39 HydrophobicContact CB-CE2 4.17Å; F32-F39 HydrophobicContact CE2-CB 4.15Å; F32-F39 HydrophobicContact CZ-CB 3.93Å; N37-F39 PolarHBondContact O-N 2.93Å; N37-F39 WeakPolarHBondContact OD1-CB 3.36Å; N37-F39 WeakPolarHBondContact OD1-CD2 3.43Å; N37-F39 PolarHBondContact OD1-N 3.08Å; F39-Y97 HydrophobicContact CB-CD1 3.96Å; F39-Y97 HydrophobicContact CB-CE1 3.66Å; F39-Y97 HydrophobicContact CD1-CD1 4.12Å; F39-Y97 AromaticContact CD1-CE1 3.71Å; F39-Y97 HydrophobicContact CD1-CE1 3.71Å; F39-Y97 AromaticContact CG-CD1 3.99Å; F39-Y97 HydrophobicContact CG-CD1 3.99Å; F39-Y97 AromaticContact CG-CE1 3.86Å; F39-Y97 HydrophobicContact CG-CE1 3.86Å; F39-V104 HydrophobicContact CD2-CB 4.2Å; F39-V104 HydrophobicContact CD2-CG1 3.58Å; F39-V104 HydrophobicContact CE2-CB 4.34Å; F39-V104 HydrophobicContact CE2-CG1 4.06Å; F39-V104 WeakPolarHBondContact CE2-O 3.44Å; F39-V104 HydrophobicContact CG-CG1 4.47Å; F39-Q106 HydrophobicContact CD1-CB 4.37Å; F39-Q106 HydrophobicContact CE1-CB 3.99Å
40	Y	93.9	Very high	92.8	Very high	16 Å²	16	47.1 Å²	47.1	6%	0.063	24%	0.236	C	C	.	.			trans	-85	128.3	-176.7	-177.5	-114	0	0	0	111.2	F32 C33 N37 P38 C44 E47 F67	F32-Y40 HydrophobicContact CD1-CD2 4.08Å; F32-Y40 HydrophobicContact CE1-CD2 4.07Å; C33-Y40 HydrophobicContact CB-CD2 4.35Å; C33-Y40 HydrophobicContact CB-CE1 4.24Å; C33-Y40 HydrophobicContact CB-CE2 3.87Å; C33-Y40 WeakPolarHBondContact SG-CE2 3.29Å; N37-Y40 PolarHBondContact O-N 3.13Å; P38-Y40 VanDerWaalsContact C-N 3.34Å; Y40-C44 VanDerWaalsContact CE2-SG 3.53Å; Y40-E47 VanDerWaalsContact CE1-OE2 3.28Å; Y40-E47 WeakPolarHBondContact CE1-OE2 3.34Å; Y40-E47 WeakPolarHBondContact OH-CA 3.18Å; Y40-E47 WeakPolarHBondContact OH-CB 3.49Å; Y40-E47 PolarHBondContact OH-N 3.49Å; Y40-E47 PolarHBondContact OH-OE2 3.33Å; Y40-F67 HydrophobicContact CD2-CD2 4.06Å; Y40-F67 AromaticContact CD2-CE2 3.89Å; Y40-F67 HydrophobicContact CD2-CE2 3.89Å; Y40-F67 HydrophobicContact CD2-CZ 4.44Å; Y40-F67 HydrophobicContact CE2-CD2 4.02Å; Y40-F67 HydrophobicContact CE2-CE2 4.14Å
41	D	92.5	Very high	92.9	Very high	42 Å²	42	49.6 Å²	49.6	23%	0.225	25%	0.246	C	C	.	.			trans	-93.3	116.7	-178.9	-170.7	-15.9	0	0	0	109.9	Q43 C44 F67 K82	D41-Q43 PolarHBondContact O-N 2.83Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.46Å; D41-Q43 PolarHBondContact OD1-N 2.52Å; D41-C44 HydrophobicContact CB-CB 4.38Å; D41-C44 WeakPolarHBondContact O-CB 3.3Å; D41-C44 PolarHBondContact O-N 3.27Å; D41-C44 VanDerWaalsContact O-N 3.15Å; D41-C44 PolarHBondContact O-SG 2.83Å; D41-F67 HydrophobicContact CB-CE2 4.02Å; D41-F67 HydrophobicContact CB-CZ 4.14Å; D41-K82 IonicContact OD2-NZ 2.86Å
42	R	91.1	Very high	92.9	Very high	164 Å²	164	55.3 Å²	55.3	62%	0.619	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.3	-180	-62.5	-176.2	-178.9	128.6	4.4	113.4	L35 E47	L35-R42 PolarHBondContact O-NH2 3.37Å; R42-E47 WeakPolarHBondContact O-CG 3.36Å
43	Q	92.8	Very high	92.8	Very high	173 Å²	173	66.3 Å²	66.3	81%	0.808	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2	177.7	-60.5	-174.7	-29.9	0	0	112.8	D41	D41-Q43 PolarHBondContact O-N 2.83Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.46Å; D41-Q43 PolarHBondContact OD1-N 2.52Å
44	C	94.1	Very high	92.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-72.9	159.4	-179.3	76	0	0	0	0	113.2	Y40 D41 N46 E47 V48 I65 F67	Y40-C44 VanDerWaalsContact CE2-SG 3.53Å; D41-C44 HydrophobicContact CB-CB 4.38Å; D41-C44 WeakPolarHBondContact O-CB 3.3Å; D41-C44 PolarHBondContact O-N 3.27Å; D41-C44 VanDerWaalsContact O-N 3.15Å; D41-C44 PolarHBondContact O-SG 2.83Å; C44-N46 PolarHBondContact O-N 3.42Å; C44-E47 WeakPolarHBondContact O-CB 3.21Å; C44-E47 PolarHBondContact O-N 2.7Å; C44-E47 VanDerWaalsContact O-N 3.07Å; C44-V48 PolarHBondContact O-N 2.69Å; C44-I65 WeakPolarHBondContact CA-O 3.44Å; C44-I65 HydrophobicContact CB-CB 4.46Å; C44-I65 HydrophobicContact CB-CG2 4.12Å; C44-I65 WeakPolarHBondContact CB-O 3.47Å; C44-F67 HydrophobicContact CB-CD2 4.05Å; C44-F67 HydrophobicContact CB-CE2 3.85Å
45	N	95.5	Very high	92.9	Very high	16 Å²	16	73.3 Å²	73.3	9%	0.086	35%	0.347	C	S	.	.	H	α-helix	trans	-62.9	-29.4	179.2	-69.6	-13.4	0	0	0	112.5	E47 V48 I49 L59 M62 T63 I65 E66	N45-E47 VanDerWaalsContact C-N 3.25Å; N45-E47 PolarHBondContact O-N 3.28Å; N45-V48 PolarHBondContact O-N 3.14Å; N45-I49 WeakPolarHBondContact O-CG1 3.28Å; N45-I49 PolarHBondContact O-N 2.85Å; N45-L59 HydrophobicContact CB-CD2 3.67Å; N45-M62 HydrophobicContact CB-CE 4.13Å; N45-M62 HydrophobicContact CB-SD 4.43Å; N45-T63 PolarHBondContact ND2-O 3.48Å; N45-I65 PolarHBondContact N-O 3.18Å; N45-E66 HydrophobicContact CB-CB 4.5Å
46	N	94.8	Very high	92.9	Very high	14 Å²	14	72.9 Å²	72.9	8%	0.075	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-37.7	174.6	-58.2	66.4	0	0	0	111.4	C44 I49 R50 E66 F67	C44-N46 PolarHBondContact O-N 3.42Å; N46-I49 PolarHBondContact O-N 2.79Å; N46-R50 VanDerWaalsContact O-CB 3.32Å; N46-R50 WeakPolarHBondContact O-CB 3.5Å; N46-R50 PolarHBondContact O-N 2.92Å; N46-E66 VanDerWaalsContact OD1-CA 3.28Å; N46-E66 WeakPolarHBondContact OD1-CA 3.41Å; N46-F67 PolarHBondContact ND2-O 3.12Å; N46-F67 PolarHBondContact OD1-N 2.76Å
47	E	94	Very high	92.9	Very high	24 Å²	24	76.1 Å²	76.1	11%	0.112	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-42.8	177.1	-169.7	58.8	-153.2	0	0	111.3	Y40 R42 C44 N45 I49 R50 M51	Y40-E47 VanDerWaalsContact CE1-OE2 3.28Å; Y40-E47 WeakPolarHBondContact CE1-OE2 3.34Å; Y40-E47 WeakPolarHBondContact OH-CA 3.18Å; Y40-E47 WeakPolarHBondContact OH-CB 3.49Å; Y40-E47 PolarHBondContact OH-N 3.49Å; Y40-E47 PolarHBondContact OH-OE2 3.33Å; R42-E47 WeakPolarHBondContact O-CG 3.36Å; C44-E47 WeakPolarHBondContact O-CB 3.21Å; C44-E47 PolarHBondContact O-N 2.7Å; C44-E47 VanDerWaalsContact O-N 3.07Å; N45-E47 VanDerWaalsContact C-N 3.25Å; N45-E47 PolarHBondContact O-N 3.28Å; E47-I49 VanDerWaalsContact C-N 3.35Å; E47-I49 PolarHBondContact O-N 3.14Å; E47-R50 PolarHBondContact O-N 2.83Å; E47-R50 IonicContact OE1-CZ 3.96Å; E47-R50 IonicContact OE1-NE 2.7Å; E47-R50 PolarHBondContact OE1-NE 3.31Å; E47-R50 IonicContact OE1-NH2 3.4Å; E47-R50 PolarHBondContact OE1-NH2 3.47Å; E47-R50 IonicContact OE2-CZ 3.76Å; E47-R50 IonicContact OE2-NE 2.76Å; E47-R50 PolarHBondContact OE2-NE 3.07Å; E47-R50 IonicContact OE2-NH1 3.64Å; E47-R50 IonicContact OE2-NH2 3.1Å; E47-R50 PolarHBondContact OE2-NH2 3.47Å; E47-M51 HydrophobicContact CG-CG 4.31Å; E47-M51 WeakPolarHBondContact O-CB 3.45Å; E47-M51 WeakPolarHBondContact O-CG 3.39Å; E47-M51 PolarHBondContact O-N 2.99Å
48	V	93.9	Very high	92.9	Very high	50 Å²	50	80 Å²	80	30%	0.303	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-46.3	177.6	-179.8	0	0	0	0	110.6	C44 N45 R50 M51 Q52 M62	C44-V48 PolarHBondContact O-N 2.69Å; N45-V48 PolarHBondContact O-N 3.14Å; V48-R50 VanDerWaalsContact C-N 3.34Å; V48-R50 PolarHBondContact O-N 3.01Å; V48-M51 PolarHBondContact O-N 3.44Å; V48-Q52 HydrophobicContact CG1-CG 4.48Å; V48-Q52 WeakPolarHBondContact O-CB 3.31Å; V48-Q52 VanDerWaalsContact O-CG 3.31Å; V48-Q52 WeakPolarHBondContact O-CG 3.36Å; V48-Q52 PolarHBondContact O-N 3.23Å; V48-M62 HydrophobicContact CB-CE 4.18Å; V48-M62 HydrophobicContact CG1-CE 3.98Å
49	I	93.5	Very high	92.9	Very high	13 Å²	13	77.6 Å²	77.6	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-42.4	177.1	-73.2	176.4	0	0	0	111.2	N45 N46 E47 Q52 R53 L54 Q58 L59 M62	N45-I49 WeakPolarHBondContact O-CG1 3.28Å; N45-I49 PolarHBondContact O-N 2.85Å; N46-I49 PolarHBondContact O-N 2.79Å; E47-I49 VanDerWaalsContact C-N 3.35Å; E47-I49 PolarHBondContact O-N 3.14Å; I49-Q52 CarbonylContact O-C 3.57Å; I49-Q52 PolarHBondContact O-N 2.91Å; I49-R53 WeakPolarHBondContact O-CA 3.44Å; I49-R53 PolarHBondContact O-N 2.83Å; I49-L54 HydrophobicContact CG2-CB 4.07Å; I49-L54 WeakPolarHBondContact CG2-O 3.41Å; I49-L54 PolarHBondContact O-N 3.09Å; I49-Q58 HydrophobicContact CD1-CB 4.12Å; I49-L59 HydrophobicContact CD1-CB 4.2Å; I49-L59 HydrophobicContact CD1-CD1 4.49Å; I49-L59 HydrophobicContact CD1-CD2 3.32Å; I49-L59 HydrophobicContact CD1-CG 3.35Å; I49-L59 HydrophobicContact CG1-CD2 4.48Å; I49-M62 HydrophobicContact CD1-SD 4.19Å; I49-M62 HydrophobicContact CG1-SD 4.06Å
50	R	91.4	Very high	92.9	Very high	94 Å²	94	81.5 Å²	81.5	36%	0.355	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-46.2	177.2	-173.1	176.7	74.4	172.9	2.1	111.8	C33 N46 E47 V48 Q52 R53	C33-R50 PolarHBondContact O-NH1 3.38Å; N46-R50 VanDerWaalsContact O-CB 3.32Å; N46-R50 WeakPolarHBondContact O-CB 3.5Å; N46-R50 PolarHBondContact O-N 2.92Å; E47-R50 PolarHBondContact O-N 2.83Å; E47-R50 IonicContact OE1-CZ 3.96Å; E47-R50 IonicContact OE1-NE 2.7Å; E47-R50 PolarHBondContact OE1-NE 3.31Å; E47-R50 IonicContact OE1-NH2 3.4Å; E47-R50 PolarHBondContact OE1-NH2 3.47Å; E47-R50 IonicContact OE2-CZ 3.76Å; E47-R50 IonicContact OE2-NE 2.76Å; E47-R50 PolarHBondContact OE2-NE 3.07Å; E47-R50 IonicContact OE2-NH1 3.64Å; E47-R50 IonicContact OE2-NH2 3.1Å; E47-R50 PolarHBondContact OE2-NH2 3.47Å; V48-R50 VanDerWaalsContact C-N 3.34Å; V48-R50 PolarHBondContact O-N 3.01Å; R50-Q52 VanDerWaalsContact C-N 3.34Å; R50-Q52 PolarHBondContact O-N 3.21Å; R50-R53 PolarHBondContact O-N 3.13Å
51	M	93.2	Very high	92.8	Very high	145 Å²	145	85.4 Å²	85.4	71%	0.714	41%	0.407	S	S	*	.	H	α-helix	trans	-65.7	-36.4	179	-71.3	-67.7	-79.9	0	0	112.1	E47 V48 R53	E47-M51 HydrophobicContact CG-CG 4.31Å; E47-M51 WeakPolarHBondContact O-CB 3.45Å; E47-M51 WeakPolarHBondContact O-CG 3.39Å; E47-M51 PolarHBondContact O-N 2.99Å; V48-M51 PolarHBondContact O-N 3.44Å; M51-R53 VanDerWaalsContact C-N 3.34Å
52	Q	94.4	Very high	92.8	Very high	120 Å²	120	85.5 Å²	85.5	56%	0.561	41%	0.407	S	S	*	.	H	α-helix	trans	-86.7	-2.4	177.6	-65.2	178.5	-0.5	0	0	113.6	V48 I49 R50 L54	V48-Q52 HydrophobicContact CG1-CG 4.48Å; V48-Q52 WeakPolarHBondContact O-CB 3.31Å; V48-Q52 VanDerWaalsContact O-CG 3.31Å; V48-Q52 WeakPolarHBondContact O-CG 3.36Å; V48-Q52 PolarHBondContact O-N 3.23Å; I49-Q52 CarbonylContact O-C 3.57Å; I49-Q52 PolarHBondContact O-N 2.91Å; R50-Q52 VanDerWaalsContact C-N 3.34Å; R50-Q52 PolarHBondContact O-N 3.21Å; Q52-L54 HydrophobicContact CB-CD1 3.88Å; Q52-L54 HydrophobicContact CB-CG 3.75Å; Q52-L54 PolarHBondContact O-N 2.84Å
53	R	92.8	Very high	93	Very high	232 Å²	232	82.3 Å²	82.3	88%	0.875	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	38.9	-175.8	-57	-177.1	177.3	-177.1	-1.2	113	I49 R50 M51	I49-R53 WeakPolarHBondContact O-CA 3.44Å; I49-R53 PolarHBondContact O-N 2.83Å; R50-R53 PolarHBondContact O-N 3.13Å; M51-R53 VanDerWaalsContact C-N 3.34Å
54	L	92.7	Very high	93.1	Very high	73 Å²	73	75.2 Å²	75.2	38%	0.382	38%	0.379	S	S	.	.			trans	-84.8	161.3	178.5	-65	176.3	0	0	0	111.4	I49 Q52 Q58	I49-L54 HydrophobicContact CG2-CB 4.07Å; I49-L54 WeakPolarHBondContact CG2-O 3.41Å; I49-L54 PolarHBondContact O-N 3.09Å; Q52-L54 HydrophobicContact CB-CD1 3.88Å; Q52-L54 HydrophobicContact CB-CG 3.75Å; Q52-L54 PolarHBondContact O-N 2.84Å; L54-Q58 HydrophobicContact CB-CB 4.5Å; L54-Q58 HydrophobicContact CD1-CG 4.1Å
55	H	92.3	Very high	93.2	Very high	120 Å²	120	77.5 Å²	77.5	56%	0.556	39%	0.391	S	S	*	.			trans	-70.8	141.5	173.9	-164.9	-104.3	0	0	0	110.3	E57 Q58	H55-E57 IonicContact CE1-OE1 3.91Å; H55-E57 IonicContact CE1-OE2 3.55Å; H55-E57 WeakPolarHBondContact ND1-CG 3.37Å; H55-E57 IonicContact ND1-OE2 3.33Å; H55-E57 PolarHBondContact O-N 2.82Å; H55-Q58 VanDerWaalsContact O-CB 3.28Å; H55-Q58 WeakPolarHBondContact O-CB 3.48Å; H55-Q58 PolarHBondContact O-N 3.32Å
56	P	88.4	Confident	93.2	Very high	83 Å²	83	76.8 Å²	76.8	54%	0.539	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-58.6	-22.5	-177.7	22.2	-35.5	0	0	0	114.5	Q58 L59	P56-Q58 PolarHBondContact O-N 2.84Å; P56-L59 WeakPolarHBondContact O-CB 3.45Å; P56-L59 WeakPolarHBondContact O-CG 3.23Å; P56-L59 PolarHBondContact O-N 3.34Å; P56-L59 VanDerWaalsContact O-N 3.16Å
57	E	91.7	Very high	93.3	Very high	135 Å²	135	76.2 Å²	76.2	63%	0.631	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-61.7	-22.5	174.8	-71.7	178.6	177.2	0	0	113.5	H55 L59 L60	H55-E57 IonicContact CE1-OE1 3.91Å; H55-E57 IonicContact CE1-OE2 3.55Å; H55-E57 WeakPolarHBondContact ND1-CG 3.37Å; H55-E57 IonicContact ND1-OE2 3.33Å; H55-E57 PolarHBondContact O-N 2.82Å; E57-L59 PolarHBondContact O-N 3.17Å; E57-L59 VanDerWaalsContact O-N 3.11Å; E57-L60 WeakPolarHBondContact O-CB 3.28Å; E57-L60 PolarHBondContact O-N 3.19Å; E57-L60 VanDerWaalsContact O-N 3.07Å
58	Q	93.1	Very high	93.3	Very high	86 Å²	86	77.5 Å²	77.5	40%	0.402	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-61.3	-20.5	176.3	-169.1	66.5	12	0	0	112.7	I49 L54 H55 P56 L60 C61 M62	I49-Q58 HydrophobicContact CD1-CB 4.12Å; L54-Q58 HydrophobicContact CB-CB 4.5Å; L54-Q58 HydrophobicContact CD1-CG 4.1Å; H55-Q58 VanDerWaalsContact O-CB 3.28Å; H55-Q58 WeakPolarHBondContact O-CB 3.48Å; H55-Q58 PolarHBondContact O-N 3.32Å; P56-Q58 PolarHBondContact O-N 2.84Å; Q58-L60 PolarHBondContact O-N 3.27Å; Q58-L60 VanDerWaalsContact O-N 3.17Å; Q58-C61 PolarHBondContact O-N 3.01Å; Q58-M62 PolarHBondContact O-N 3.29Å
59	L	92	Very high	93.4	Very high	23 Å²	23	77.5 Å²	77.5	12%	0.12	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-54	-34	173	-74.1	175.1	0	0	0	112.1	N45 I49 P56 E57 C61 M62 E66 R85	N45-L59 HydrophobicContact CB-CD2 3.67Å; I49-L59 HydrophobicContact CD1-CB 4.2Å; I49-L59 HydrophobicContact CD1-CD1 4.49Å; I49-L59 HydrophobicContact CD1-CD2 3.32Å; I49-L59 HydrophobicContact CD1-CG 3.35Å; I49-L59 HydrophobicContact CG1-CD2 4.48Å; P56-L59 WeakPolarHBondContact O-CB 3.45Å; P56-L59 WeakPolarHBondContact O-CG 3.23Å; P56-L59 PolarHBondContact O-N 3.34Å; P56-L59 VanDerWaalsContact O-N 3.16Å; E57-L59 PolarHBondContact O-N 3.17Å; E57-L59 VanDerWaalsContact O-N 3.11Å; L59-C61 PolarHBondContact O-N 3.4Å; L59-M62 PolarHBondContact O-N 3.01Å; L59-E66 HydrophobicContact CD2-CB 4.12Å; L59-R85 VanDerWaalsContact O-CD 3.23Å; L59-R85 WeakPolarHBondContact O-CD 3.48Å; L59-R85 PolarHBondContact O-NE 3.48Å
60	L	92.5	Very high	93.4	Very high	88 Å²	88	81.4 Å²	81.4	46%	0.461	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-64.5	-26.6	179.7	-63.9	177.2	0	0	0	113.1	E57 Q58	E57-L60 WeakPolarHBondContact O-CB 3.28Å; E57-L60 PolarHBondContact O-N 3.19Å; E57-L60 VanDerWaalsContact O-N 3.07Å; Q58-L60 PolarHBondContact O-N 3.27Å; Q58-L60 VanDerWaalsContact O-N 3.17Å
61	C	92.1	Very high	93.6	Very high	98 Å²	98	81.3 Å²	81.3	66%	0.662	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-90	-11.5	179.9	-62.4	0	0	0	0	113.1	Q58 L59	Q58-C61 PolarHBondContact O-N 3.01Å; L59-C61 PolarHBondContact O-N 3.4Å
62	M	93	Very high	93.7	Very high	45 Å²	45	76.4 Å²	76.4	22%	0.222	39%	0.389	C	S	.	.			trans	-98.8	157.5	-178.1	-62.7	179.5	70.4	0	0	110.8	N45 V48 I49 Q58 L59 R85	N45-M62 HydrophobicContact CB-CE 4.13Å; N45-M62 HydrophobicContact CB-SD 4.43Å; V48-M62 HydrophobicContact CB-CE 4.18Å; V48-M62 HydrophobicContact CG1-CE 3.98Å; I49-M62 HydrophobicContact CD1-SD 4.19Å; I49-M62 HydrophobicContact CG1-SD 4.06Å; Q58-M62 PolarHBondContact O-N 3.29Å; L59-M62 PolarHBondContact O-N 3.01Å; M62-R85 WeakPolarHBondContact O-CD 3.44Å; M62-R85 WeakPolarHBondContact O-CG 3.4Å
63	T	94.9	Very high	93.6	Very high	97 Å²	97	75.5 Å²	75.5	60%	0.595	39%	0.385	S	S	*	.			trans	-116.4	152.2	169.7	57.8	0	0	0	0	108.9	N45 R85 L86	N45-T63 PolarHBondContact ND2-O 3.48Å; T63-R85 WeakPolarHBondContact CA-O 3.44Å; T63-L86 WeakPolarHBondContact CG2-O 3.12Å
64	G	95.5	Very high	93.4	Very high	24 Å²	24	69.2 Å²	69.2	25%	0.247	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	123.4	-161.8	-177.8	0	0	0	0	0	113.9	Q84 R85	G64-Q84 CarbonylContact O-C 3.45Å; G64-Q84 WeakPolarHBondContact O-CA 3Å; G64-R85 PolarHBondContact N-O 2.74Å; G64-R85 PolarHBondContact O-N 3.05Å
65	I	96.4	Very high	93	Very high	47 Å²	47	70.4 Å²	70.4	24%	0.241	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.9	-175.8	-61.7	175.5	0	0	0	109.2	C44 N45 K82 Q83	C44-I65 WeakPolarHBondContact CA-O 3.44Å; C44-I65 HydrophobicContact CB-CB 4.46Å; C44-I65 HydrophobicContact CB-CG2 4.12Å; C44-I65 WeakPolarHBondContact CB-O 3.47Å; N45-I65 PolarHBondContact N-O 3.18Å; I65-K82 HydrophobicContact CG2-CD 4.37Å; I65-K82 VanDerWaalsContact CG2-CE 3.42Å; I65-K82 HydrophobicContact CG2-CG 4.06Å; I65-Q83 WeakPolarHBondContact CA-O 3.38Å
66	E	95.6	Very high	92.9	Very high	2 Å²	2	69 Å²	69	1%	0.009	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.3	173.5	64.4	-176.7	-151.8	0	0	110.8	N45 N46 L59 Q83 R85	N45-E66 HydrophobicContact CB-CB 4.5Å; N46-E66 VanDerWaalsContact OD1-CA 3.28Å; N46-E66 WeakPolarHBondContact OD1-CA 3.41Å; L59-E66 HydrophobicContact CD2-CB 4.12Å; E66-Q83 HydrophobicContact CG-CG 3.56Å; E66-Q83 PolarHBondContact N-O 3.03Å; E66-Q83 PolarHBondContact O-N 3.16Å; E66-Q83 VanDerWaalsContact O-O 3.14Å; E66-Q83 PolarHBondContact OE1-NE2 2.7Å; E66-R85 VanDerWaalsContact CD-NE 3.28Å; E66-R85 IonicContact OE1-CZ 2.85Å; E66-R85 VanDerWaalsContact OE1-CZ 3.29Å; E66-R85 IonicContact OE1-NE 3.33Å; E66-R85 PolarHBondContact OE1-NE 3.21Å; E66-R85 IonicContact OE1-NH2 3.56Å; E66-R85 PolarHBondContact OE1-NH2 3.03Å; E66-R85 IonicContact OE2-CZ 2.92Å; E66-R85 IonicContact OE2-NE 3.28Å; E66-R85 PolarHBondContact OE2-NE 3.43Å; E66-R85 IonicContact OE2-NH2 3.81Å
67	F	96.1	Very high	93.2	Very high	1 Å²	1	67 Å²	67	0%	0.004	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.2	170.4	-64.5	-89.5	0	0	0	108.6	F32 Y40 D41 C44 N46 I80 K82 Y97	F32-F67 HydrophobicContact CD1-CD1 4.25Å; F32-F67 HydrophobicContact CD1-CG 4.45Å; F32-F67 AromaticContact CE1-CD1 3.39Å; F32-F67 HydrophobicContact CE1-CD1 3.39Å; F32-F67 HydrophobicContact CE1-CD2 4.49Å; F32-F67 AromaticContact CE1-CE1 3.45Å; F32-F67 HydrophobicContact CE1-CE1 3.45Å; F32-F67 VanDerWaalsContact CE1-CE1 3.45Å; F32-F67 AromaticContact CE1-CG 3.94Å; F32-F67 HydrophobicContact CE1-CG 3.94Å; F32-F67 HydrophobicContact CE1-CZ 4.06Å; F32-F67 AromaticContact CZ-CD1 3.99Å; F32-F67 HydrophobicContact CZ-CD1 3.99Å; F32-F67 AromaticContact CZ-CE1 3.81Å; F32-F67 HydrophobicContact CZ-CE1 3.81Å; Y40-F67 HydrophobicContact CD2-CD2 4.06Å; Y40-F67 AromaticContact CD2-CE2 3.89Å; Y40-F67 HydrophobicContact CD2-CE2 3.89Å; Y40-F67 HydrophobicContact CD2-CZ 4.44Å; Y40-F67 HydrophobicContact CE2-CD2 4.02Å; Y40-F67 HydrophobicContact CE2-CE2 4.14Å; D41-F67 HydrophobicContact CB-CE2 4.02Å; D41-F67 HydrophobicContact CB-CZ 4.14Å; C44-F67 HydrophobicContact CB-CD2 4.05Å; C44-F67 HydrophobicContact CB-CE2 3.85Å; N46-F67 PolarHBondContact ND2-O 3.12Å; N46-F67 PolarHBondContact OD1-N 2.76Å; F67-I80 HydrophobicContact CB-CG2 4.16Å; F67-I80 HydrophobicContact CD1-CG2 4.12Å; F67-K82 HydrophobicContact CD1-CB 3.92Å; F67-K82 HydrophobicContact CD1-CG 4.4Å; F67-K82 HydrophobicContact CE1-CB 3.68Å; F67-K82 HydrophobicContact CE1-CD 4.02Å; F67-K82 HydrophobicContact CE1-CG 3.92Å; F67-K82 HydrophobicContact CZ-CB 4.45Å; F67-K82 HydrophobicContact CZ-CD 4.03Å; F67-K82 HydrophobicContact CZ-CG 4.19Å; F67-Y97 HydrophobicContact CD1-CE2 4.38Å; F67-Y97 HydrophobicContact CE1-CD2 4.4Å; F67-Y97 AromaticContact CE1-CE2 3.78Å; F67-Y97 HydrophobicContact CE1-CE2 3.78Å
68	Y	93.9	Very high	93.4	Very high	52 Å²	52	60.7 Å²	60.7	20%	0.204	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	152	174.4	81.4	-77.6	0	0	0	110.6	H70 I80 R81 Q83	Y68-H70 HydrophobicContact CD2-CB 4.42Å; Y68-H70 HydrophobicContact CE2-CB 3.64Å; Y68-H70 AromaticContact CE2-ND1 3.84Å; Y68-H70 AromaticContact CZ-ND1 3.99Å; Y68-H70 PolarHBondContact O-N 3.33Å; Y68-H70 PolarHBondContact OH-ND1 2.97Å; Y68-I80 WeakPolarHBondContact O-CA 3.46Å; Y68-R81 HydrophobicContact CD1-CB 3.96Å; Y68-R81 HydrophobicContact CD1-CG 4.29Å; Y68-R81 VanDerWaalsContact CD1-O 3.31Å; Y68-R81 WeakPolarHBondContact CD1-O 3.31Å; Y68-R81 HydrophobicContact CE1-CB 3.28Å; Y68-R81 HydrophobicContact CE1-CG 3.41Å; Y68-R81 VanDerWaalsContact CE1-CG 3.41Å; Y68-R81 PolarHBondContact N-O 2.75Å; Y68-R81 VanDerWaalsContact N-O 3.09Å; Y68-R81 PolarHBondContact O-N 2.88Å; Y68-R81 WeakPolarHBondContact OH-CD 3.09Å; Y68-R81 VanDerWaalsContact OH-CZ 3.32Å; Y68-R81 PolarHBondContact OH-NE 2.83Å; Y68-R81 VanDerWaalsContact OH-NE 3.17Å; Y68-R81 PolarHBondContact OH-NH1 3.02Å; Y68-Q83 HydrophobicContact CD1-CG 3.73Å; Y68-Q83 HydrophobicContact CE1-CB 4.28Å; Y68-Q83 HydrophobicContact CE1-CG 3.89Å
69	L	95.4	Very high	93.6	Very high	49 Å²	49	58 Å²	58	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	111	173.4	-178.4	60.7	0	0	0	109.1	S25 V28 H71 A72 F78 I80	S25-L69 VanDerWaalsContact O-CD2 3.29Å; S25-L69 WeakPolarHBondContact O-CD2 3.32Å; V28-L69 HydrophobicContact CG1-CD1 3.73Å; V28-L69 HydrophobicContact CG1-CD2 3.71Å; V28-L69 HydrophobicContact CG1-CG 4.29Å; L69-H71 WeakPolarHBondContact CD1-O 3.46Å; L69-A72 HydrophobicContact CD1-CB 4.48Å; L69-A72 HydrophobicContact CD2-CB 4.15Å; L69-F78 HydrophobicContact CD1-CB 4.15Å; L69-F78 HydrophobicContact CD1-CD1 4.47Å; L69-I80 HydrophobicContact CD1-CG1 4.36Å
70	H	94.8	Very high	93.8	Very high	96 Å²	96	56.9 Å²	56.9	44%	0.444	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-41.5	-178.7	-179.9	48.6	0	0	0	112.6	Y68 I79 R81 Y96	Y68-H70 HydrophobicContact CD2-CB 4.42Å; Y68-H70 HydrophobicContact CE2-CB 3.64Å; Y68-H70 AromaticContact CE2-ND1 3.84Å; Y68-H70 AromaticContact CZ-ND1 3.99Å; Y68-H70 PolarHBondContact O-N 3.33Å; Y68-H70 PolarHBondContact OH-ND1 2.97Å; H70-I79 PolarHBondContact N-O 2.84Å; H70-R81 HydrophobicContact CB-CB 4.26Å; H70-Y96 AromaticContact CD2-CE1 3.99Å
71	H	95.3	Very high	94	Very high	92 Å²	92	54.4 Å²	54.4	43%	0.426	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.2	-179.6	-174.1	71.1	0	0	0	110	L69 I79	L69-H71 WeakPolarHBondContact CD1-O 3.46Å; H71-I79 HydrophobicContact CB-CB 4.09Å; H71-I79 HydrophobicContact CB-CD1 4.06Å; H71-I79 HydrophobicContact CB-CG1 4.14Å; H71-I79 PolarHBondContact N-O 2.91Å; H71-I79 PolarHBondContact O-N 2.78Å
72	A	94.2	Very high	94.2	Very high	41 Å²	41	51.5 Å²	51.5	34%	0.339	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.8	178.7	0	0	0	0	0	109.6	L69 F78	L69-A72 HydrophobicContact CD1-CB 4.48Å; L69-A72 HydrophobicContact CD2-CB 4.15Å; A72-F78 HydrophobicContact CB-CD1 3.68Å; A72-F78 HydrophobicContact CB-CE1 4.03Å
73	Q	92.8	Very high	94.3	Very high	102 Å²	102	49.9 Å²	49.9	48%	0.477	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	86.7	173.3	-176.2	-176.1	-4.1	0	0	108	I76 L77	Q73-I76 PolarHBondContact O-N 3.05Å; Q73-L77 CarbonylContact C-O 3.56Å; Q73-L77 WeakPolarHBondContact CA-O 3.36Å; Q73-L77 HydrophobicContact CB-CB 4.34Å; Q73-L77 WeakPolarHBondContact CB-O 3.39Å; Q73-L77 PolarHBondContact N-O 3.15Å; Q73-L77 PolarHBondContact O-N 3.28Å
74	E	88.2	Confident	94.4	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	139.5	-179.6	-64.1	-179	-166	0	0	110.9	C24 S25 F78	C24-E74 PolarHBondContact SG-OE1 3.31Å; S25-E74 WeakPolarHBondContact CB-OE1 3.24Å; S25-E74 PolarHBondContact N-OE1 2.83Å; S25-E74 PolarHBondContact OG-OE1 2.81Å; E74-F78 HydrophobicContact CG-CE1 3.67Å; E74-F78 HydrophobicContact CG-CZ 3.79Å
75	P	84.8	Confident	94.4	Very high	98 Å²	98	48.9 Å²	48.9	64%	0.636	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	cis	-95.9	7.4	-3	36.9	-35.7	0	0	0	114.5
76	I	91.2	Very high	94.4	Very high	90 Å²	90	50.6 Å²	50.6	46%	0.462	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-44.5	-159.5	-58.9	168	0	0	0	112.7	Q73 I100 N101	Q73-I76 PolarHBondContact O-N 3.05Å; I76-I100 WeakPolarHBondContact O-CA 3.27Å; I76-N101 PolarHBondContact O-N 3.09Å; I76-N101 VanDerWaalsContact O-N 3.14Å
77	L	93.7	Very high	94.3	Very high	41 Å²	41	52 Å²	52	22%	0.215	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.8	-166.8	171.8	67	0	0	0	111.5	Q73 I79 Y98 V99 I100	Q73-L77 CarbonylContact C-O 3.56Å; Q73-L77 WeakPolarHBondContact CA-O 3.36Å; Q73-L77 HydrophobicContact CB-CB 4.34Å; Q73-L77 WeakPolarHBondContact CB-O 3.39Å; Q73-L77 PolarHBondContact N-O 3.15Å; Q73-L77 PolarHBondContact O-N 3.28Å; L77-I79 HydrophobicContact CD1-CG1 4.39Å; L77-I79 HydrophobicContact CG-CG1 4.42Å; L77-Y98 HydrophobicContact CD1-CD1 4.38Å; L77-V99 WeakPolarHBondContact CA-O 3.5Å; L77-I100 HydrophobicContact CD1-CD1 4.3Å; L77-I100 HydrophobicContact CD1-CG1 3.71Å
78	F	95.7	Very high	94.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.1	167.1	-51	-95.1	0	0	0	110	L23 V28 L69 A72 E74 V99	L23-F78 HydrophobicContact CB-CE2 4.06Å; L23-F78 HydrophobicContact CB-CZ 4.46Å; V28-F78 HydrophobicContact CB-CD1 4.24Å; V28-F78 HydrophobicContact CB-CG 4.24Å; V28-F78 HydrophobicContact CG1-CB 4.5Å; V28-F78 HydrophobicContact CG1-CD1 4.02Å; V28-F78 HydrophobicContact CG1-CG 4.33Å; V28-F78 HydrophobicContact CG2-CB 3.76Å; V28-F78 HydrophobicContact CG2-CD1 4.22Å; V28-F78 HydrophobicContact CG2-CD2 3.96Å; V28-F78 HydrophobicContact CG2-CG 3.72Å; L69-F78 HydrophobicContact CD1-CB 4.15Å; L69-F78 HydrophobicContact CD1-CD1 4.47Å; A72-F78 HydrophobicContact CB-CD1 3.68Å; A72-F78 HydrophobicContact CB-CE1 4.03Å; E74-F78 HydrophobicContact CG-CE1 3.67Å; E74-F78 HydrophobicContact CG-CZ 3.79Å; F78-V99 HydrophobicContact CB-CB 4.13Å; F78-V99 HydrophobicContact CD2-CB 4.43Å; F78-V99 PolarHBondContact N-O 2.88Å; F78-V99 PolarHBondContact O-N 2.81Å
79	I	96.8	Very high	94.1	Very high	29 Å²	29	60 Å²	60	15%	0.149	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	113.8	179.6	-51	-176.6	0	0	0	108.3	H70 H71 L77 Y96 Y97 Y98	H70-I79 PolarHBondContact N-O 2.84Å; H71-I79 HydrophobicContact CB-CB 4.09Å; H71-I79 HydrophobicContact CB-CD1 4.06Å; H71-I79 HydrophobicContact CB-CG1 4.14Å; H71-I79 PolarHBondContact N-O 2.91Å; H71-I79 PolarHBondContact O-N 2.78Å; L77-I79 HydrophobicContact CD1-CG1 4.39Å; L77-I79 HydrophobicContact CG-CG1 4.42Å; I79-Y96 HydrophobicContact CG2-CD1 3.83Å; I79-Y97 WeakPolarHBondContact CA-O 3.44Å; I79-Y98 HydrophobicContact CD1-CD1 4.44Å; I79-Y98 HydrophobicContact CD1-CE1 4.13Å; I79-Y98 HydrophobicContact CG1-CD1 4.04Å; I79-Y98 HydrophobicContact CG1-CE1 4.21Å; I79-Y98 HydrophobicContact CG2-CD1 4.34Å; I79-Y98 HydrophobicContact CG2-CE1 4.27Å
80	I	96.9	Very high	94.1	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.5	174.5	-64.4	173.3	0	0	0	107.8	V28 F32 F67 Y68 L69 Y96 Y97 V99	V28-I80 HydrophobicContact CG2-CD1 4.42Å; F32-I80 HydrophobicContact CB-CD1 3.34Å; F32-I80 HydrophobicContact CD1-CD1 4.22Å; F32-I80 HydrophobicContact CD1-CG2 4.33Å; F32-I80 HydrophobicContact CD2-CD1 3.56Å; F32-I80 HydrophobicContact CE1-CG2 4.35Å; F32-I80 HydrophobicContact CE2-CD1 4.42Å; F32-I80 HydrophobicContact CG-CD1 3.44Å; F32-I80 VanDerWaalsContact CG-CD1 3.44Å; F32-I80 HydrophobicContact CG-CG2 4.48Å; F32-I80 HydrophobicContact CZ-CG2 4.49Å; F67-I80 HydrophobicContact CB-CG2 4.16Å; F67-I80 HydrophobicContact CD1-CG2 4.12Å; Y68-I80 WeakPolarHBondContact O-CA 3.46Å; L69-I80 HydrophobicContact CD1-CG1 4.36Å; I80-Y96 CarbonylContact O-C 3.56Å; I80-Y96 WeakPolarHBondContact O-CA 3.47Å; I80-Y97 PolarHBondContact N-O 2.9Å; I80-Y97 PolarHBondContact O-N 2.94Å; I80-V99 HydrophobicContact CD1-CG2 4.02Å
81	R	96.3	Very high	94.2	Very high	35 Å²	35	60.3 Å²	60.3	13%	0.132	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.6	174.8	171.8	173.4	128.4	-175.7	8.5	109.6	Y68 H70 Q83 P93 A95 Y96	Y68-R81 HydrophobicContact CD1-CB 3.96Å; Y68-R81 HydrophobicContact CD1-CG 4.29Å; Y68-R81 VanDerWaalsContact CD1-O 3.31Å; Y68-R81 WeakPolarHBondContact CD1-O 3.31Å; Y68-R81 HydrophobicContact CE1-CB 3.28Å; Y68-R81 HydrophobicContact CE1-CG 3.41Å; Y68-R81 VanDerWaalsContact CE1-CG 3.41Å; Y68-R81 PolarHBondContact N-O 2.75Å; Y68-R81 VanDerWaalsContact N-O 3.09Å; Y68-R81 PolarHBondContact O-N 2.88Å; Y68-R81 WeakPolarHBondContact OH-CD 3.09Å; Y68-R81 VanDerWaalsContact OH-CZ 3.32Å; Y68-R81 PolarHBondContact OH-NE 2.83Å; Y68-R81 VanDerWaalsContact OH-NE 3.17Å; Y68-R81 PolarHBondContact OH-NH1 3.02Å; H70-R81 HydrophobicContact CB-CB 4.26Å; R81-Q83 HydrophobicContact CG-CB 4.36Å; R81-P93 VanDerWaalsContact CZ-CB 3.46Å; R81-A95 WeakPolarHBondContact CA-O 3.25Å; R81-Y96 HydrophobicContact CB-CD1 3.73Å; R81-Y96 HydrophobicContact CB-CE1 3.68Å; R81-Y96 VanDerWaalsContact CD-CE1 3.43Å; R81-Y96 VanDerWaalsContact CD-CZ 3.49Å; R81-Y96 WeakPolarHBondContact CD-OH 3.4Å; R81-Y96 HydrophobicContact CG-CD1 4.11Å; R81-Y96 HydrophobicContact CG-CE1 3.79Å
82	K	96.3	Very high	94.2	Very high	37 Å²	37	58.7 Å²	58.7	16%	0.161	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.3	162.6	179.9	175.4	-170.2	168.4	0	107.7	D41 I65 F67 L94 A95 Y97	D41-K82 IonicContact OD2-NZ 2.86Å; I65-K82 HydrophobicContact CG2-CD 4.37Å; I65-K82 VanDerWaalsContact CG2-CE 3.42Å; I65-K82 HydrophobicContact CG2-CG 4.06Å; F67-K82 HydrophobicContact CD1-CB 3.92Å; F67-K82 HydrophobicContact CD1-CG 4.4Å; F67-K82 HydrophobicContact CE1-CB 3.68Å; F67-K82 HydrophobicContact CE1-CD 4.02Å; F67-K82 HydrophobicContact CE1-CG 3.92Å; F67-K82 HydrophobicContact CZ-CB 4.45Å; F67-K82 HydrophobicContact CZ-CD 4.03Å; F67-K82 HydrophobicContact CZ-CG 4.19Å; K82-L94 HydrophobicContact CG-CB 4.26Å; K82-L94 HydrophobicContact CG-CD1 4.37Å; K82-L94 PolarHBondContact O-N 2.86Å; K82-A95 HydrophobicContact CB-CB 4.35Å; K82-A95 PolarHBondContact N-O 3.17Å; K82-A95 PolarHBondContact O-N 2.84Å; K82-Y97 HydrophobicContact CB-CE2 3.85Å
83	Q	96.2	Very high	94.3	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.056	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154	-179.8	67.8	-177.3	3.6	0	0	111.3	I65 E66 Y68 R81 V91 T92	I65-Q83 WeakPolarHBondContact CA-O 3.38Å; E66-Q83 HydrophobicContact CG-CG 3.56Å; E66-Q83 PolarHBondContact N-O 3.03Å; E66-Q83 PolarHBondContact O-N 3.16Å; E66-Q83 VanDerWaalsContact O-O 3.14Å; E66-Q83 PolarHBondContact OE1-NE2 2.7Å; Y68-Q83 HydrophobicContact CD1-CG 3.73Å; Y68-Q83 HydrophobicContact CE1-CB 4.28Å; Y68-Q83 HydrophobicContact CE1-CG 3.89Å; R81-Q83 HydrophobicContact CG-CB 4.36Å; Q83-V91 HydrophobicContact CB-CG1 3.6Å; Q83-V91 HydrophobicContact CG-CG1 3.43Å; Q83-V91 VanDerWaalsContact CG-CG1 3.43Å; Q83-T92 CarbonylContact C-O 3.54Å; Q83-T92 VanDerWaalsContact CA-O 3.27Å; Q83-T92 WeakPolarHBondContact CA-O 3.25Å; Q83-T92 WeakPolarHBondContact CB-O 3.43Å
84	Q	96.9	Very high	94.4	Very high	81 Å²	81	58.9 Å²	58.9	38%	0.379	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.2	174.5	-178.3	171.3	-17.2	0	0	109	G64 L86 T92 L94	G64-Q84 CarbonylContact O-C 3.45Å; G64-Q84 WeakPolarHBondContact O-CA 3Å; Q84-L86 HydrophobicContact CG-CD2 4.25Å; Q84-T92 PolarHBondContact N-O 3.24Å; Q84-T92 PolarHBondContact O-N 2.86Å; Q84-L94 HydrophobicContact CB-CD1 3.97Å; Q84-L94 HydrophobicContact CB-CG 4.27Å
85	R	96.1	Very high	94.7	Very high	19 Å²	19	55 Å²	55	7%	0.072	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.6	176	-176.8	171.2	-67	-82.6	0.3	109.6	L59 M62 T63 G64 E66 S87 P88 V91	L59-R85 VanDerWaalsContact O-CD 3.23Å; L59-R85 WeakPolarHBondContact O-CD 3.48Å; L59-R85 PolarHBondContact O-NE 3.48Å; M62-R85 WeakPolarHBondContact O-CD 3.44Å; M62-R85 WeakPolarHBondContact O-CG 3.4Å; T63-R85 WeakPolarHBondContact CA-O 3.44Å; G64-R85 PolarHBondContact N-O 2.74Å; G64-R85 PolarHBondContact O-N 3.05Å; E66-R85 VanDerWaalsContact CD-NE 3.28Å; E66-R85 IonicContact OE1-CZ 2.85Å; E66-R85 VanDerWaalsContact OE1-CZ 3.29Å; E66-R85 IonicContact OE1-NE 3.33Å; E66-R85 PolarHBondContact OE1-NE 3.21Å; E66-R85 IonicContact OE1-NH2 3.56Å; E66-R85 PolarHBondContact OE1-NH2 3.03Å; E66-R85 IonicContact OE2-CZ 2.92Å; E66-R85 IonicContact OE2-NE 3.28Å; E66-R85 PolarHBondContact OE2-NE 3.43Å; E66-R85 IonicContact OE2-NH2 3.81Å; R85-S87 VanDerWaalsContact CG-O 3.25Å; R85-S87 WeakPolarHBondContact CG-O 3.47Å; R85-P88 PolarHBondContact NH1-O 3.27Å; R85-V91 HydrophobicContact CB-CG2 4.45Å; R85-V91 HydrophobicContact CG-CG2 4.26Å
86	L	95.5	Very high	95.2	Very high	83 Å²	83	54 Å²	54	44%	0.435	29%	0.29	S	S	.	.	S	Bend	trans	-99.9	-33.8	176.2	-60.4	178.5	0	0	0	111.1	T63 Q84 Q90	T63-L86 WeakPolarHBondContact CG2-O 3.12Å; Q84-L86 HydrophobicContact CG-CD2 4.25Å; L86-Q90 PolarHBondContact N-O 3.03Å; L86-Q90 VanDerWaalsContact N-O 3.09Å
87	S	93.2	Very high	95.5	Very high	31 Å²	31	50.3 Å²	50.3	22%	0.217	27%	0.27	C	S	.	.	S	Bend	trans	-147.9	172.4	174.8	78.3	0	0	0	0	109.8	R85 T89 Q90	R85-S87 VanDerWaalsContact CG-O 3.25Å; R85-S87 WeakPolarHBondContact CG-O 3.47Å; S87-T89 PolarHBondContact O-N 3.14Å; S87-T89 VanDerWaalsContact O-N 3.14Å; S87-T89 PolarHBondContact OG-N 3.42Å; S87-T89 PolarHBondContact OG-OG1 2.97Å; S87-Q90 PolarHBondContact N-O 2.87Å; S87-Q90 PolarHBondContact O-N 2.96Å; S87-Q90 VanDerWaalsContact OG-CB 3.25Å; S87-Q90 WeakPolarHBondContact OG-CB 3.48Å; S87-Q90 PolarHBondContact OG-N 3.19Å
88	P	91.9	Very high	95.5	Very high	89 Å²	89	52.4 Å²	52.4	58%	0.578	28%	0.276	S	S	*	.	S	Bend	trans	-57.3	-28.9	177.1	-26.1	35.4	0	0	0	113.5	R85	R85-P88 PolarHBondContact NH1-O 3.27Å
89	T	93.6	Very high	95.5	Very high	133 Å²	133	52.3 Å²	52.3	82%	0.816	28%	0.276	S	S	*	.	S	Bend	trans	-101.4	-28.7	-177.9	54.6	0	0	0	0	113.5	S87	S87-T89 PolarHBondContact O-N 3.14Å; S87-T89 VanDerWaalsContact O-N 3.14Å; S87-T89 PolarHBondContact OG-N 3.42Å; S87-T89 PolarHBondContact OG-OG1 2.97Å
90	Q	95.9	Very high	95.4	Very high	114 Å²	114	54 Å²	54	53%	0.533	28%	0.284	S	S	.	.			trans	-106.1	122.7	-173.7	-171.4	-178	2.3	0	0	111.7	L86 S87	L86-Q90 PolarHBondContact N-O 3.03Å; L86-Q90 VanDerWaalsContact N-O 3.09Å; S87-Q90 PolarHBondContact N-O 2.87Å; S87-Q90 PolarHBondContact O-N 2.96Å; S87-Q90 VanDerWaalsContact OG-CB 3.25Å; S87-Q90 WeakPolarHBondContact OG-CB 3.48Å; S87-Q90 PolarHBondContact OG-N 3.19Å
91	V	96.2	Very high	95.1	Very high	37 Å²	37	59.1 Å²	59.1	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.5	-178.1	-171	0	0	0	0	111.7	Q83 R85	Q83-V91 HydrophobicContact CB-CG1 3.6Å; Q83-V91 HydrophobicContact CG-CG1 3.43Å; Q83-V91 VanDerWaalsContact CG-CG1 3.43Å; R85-V91 HydrophobicContact CB-CG2 4.45Å; R85-V91 HydrophobicContact CG-CG2 4.26Å
92	T	97	Very high	94.8	Very high	58 Å²	58	57.6 Å²	57.6	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.5	-177.8	-56.6	0	0	0	0	110.8	Q83 Q84	Q83-T92 CarbonylContact C-O 3.54Å; Q83-T92 VanDerWaalsContact CA-O 3.27Å; Q83-T92 WeakPolarHBondContact CA-O 3.25Å; Q83-T92 WeakPolarHBondContact CB-O 3.43Å; Q84-T92 PolarHBondContact N-O 3.24Å; Q84-T92 PolarHBondContact O-N 2.86Å
93	P	95.9	Very high	94.7	Very high	63 Å²	63	58 Å²	58	41%	0.409	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135	172	22.7	-27.9	0	0	0	110.9	R81	R81-P93 VanDerWaalsContact CZ-CB 3.46Å
94	L	94.2	Very high	94.6	Very high	83 Å²	83	57.4 Å²	57.4	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-44.8	176	-64.9	-178.6	0	0	0	112.9	K82 Q84	K82-L94 HydrophobicContact CG-CB 4.26Å; K82-L94 HydrophobicContact CG-CD1 4.37Å; K82-L94 PolarHBondContact O-N 2.86Å; Q84-L94 HydrophobicContact CB-CD1 3.97Å; Q84-L94 HydrophobicContact CB-CG 4.27Å
95	A	94.4	Very high	94.5	Very high	18 Å²	18	56.5 Å²	56.5	15%	0.149	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.9	-179.5	0	0	0	0	0	111.2	R81 K82 Y97	R81-A95 WeakPolarHBondContact CA-O 3.25Å; K82-A95 HydrophobicContact CB-CB 4.35Å; K82-A95 PolarHBondContact N-O 3.17Å; K82-A95 PolarHBondContact O-N 2.84Å; A95-Y97 HydrophobicContact CB-CE2 4.24Å
96	Y	95.7	Very high	94.5	Very high	79 Å²	79	56.7 Å²	56.7	31%	0.31	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.6	172.6	-67.2	-88.5	0	0	0	110	H70 I79 I80 R81 A107	H70-Y96 AromaticContact CD2-CE1 3.99Å; I79-Y96 HydrophobicContact CG2-CD1 3.83Å; I80-Y96 CarbonylContact O-C 3.56Å; I80-Y96 WeakPolarHBondContact O-CA 3.47Å; R81-Y96 HydrophobicContact CB-CD1 3.73Å; R81-Y96 HydrophobicContact CB-CE1 3.68Å; R81-Y96 VanDerWaalsContact CD-CE1 3.43Å; R81-Y96 VanDerWaalsContact CD-CZ 3.49Å; R81-Y96 WeakPolarHBondContact CD-OH 3.4Å; R81-Y96 HydrophobicContact CG-CD1 4.11Å; R81-Y96 HydrophobicContact CG-CE1 3.79Å; Y96-A107 VanDerWaalsContact O-CB 3.27Å; Y96-A107 WeakPolarHBondContact O-CB 3.37Å; Y96-A107 PolarHBondContact O-N 2.62Å
97	Y	96.2	Very high	94.4	Very high	11 Å²	11	53.3 Å²	53.3	4%	0.043	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.3	175.2	-56.7	-83.1	0	0	0	108.8	F32 F39 F67 I79 I80 K82 A95 L105 Q106	F32-Y97 HydrophobicContact CE2-CD1 4.3Å; F32-Y97 HydrophobicContact CE2-CD2 4.07Å; F32-Y97 AromaticContact CE2-CG 3.79Å; F32-Y97 HydrophobicContact CE2-CG 3.79Å; F32-Y97 HydrophobicContact CZ-CD1 4.37Å; F32-Y97 AromaticContact CZ-CD2 3.72Å; F32-Y97 HydrophobicContact CZ-CD2 3.72Å; F32-Y97 HydrophobicContact CZ-CE2 4.06Å; F32-Y97 AromaticContact CZ-CG 3.88Å; F32-Y97 HydrophobicContact CZ-CG 3.88Å; F39-Y97 HydrophobicContact CB-CD1 3.96Å; F39-Y97 HydrophobicContact CB-CE1 3.66Å; F39-Y97 HydrophobicContact CD1-CD1 4.12Å; F39-Y97 AromaticContact CD1-CE1 3.71Å; F39-Y97 HydrophobicContact CD1-CE1 3.71Å; F39-Y97 AromaticContact CG-CD1 3.99Å; F39-Y97 HydrophobicContact CG-CD1 3.99Å; F39-Y97 AromaticContact CG-CE1 3.86Å; F39-Y97 HydrophobicContact CG-CE1 3.86Å; F67-Y97 HydrophobicContact CD1-CE2 4.38Å; F67-Y97 HydrophobicContact CE1-CD2 4.4Å; F67-Y97 AromaticContact CE1-CE2 3.78Å; F67-Y97 HydrophobicContact CE1-CE2 3.78Å; I79-Y97 WeakPolarHBondContact CA-O 3.44Å; I80-Y97 PolarHBondContact N-O 2.9Å; I80-Y97 PolarHBondContact O-N 2.94Å; K82-Y97 HydrophobicContact CB-CE2 3.85Å; A95-Y97 HydrophobicContact CB-CE2 4.24Å; Y97-L105 CarbonylContact C-O 3.58Å; Y97-L105 VanDerWaalsContact CA-O 3.24Å; Y97-L105 WeakPolarHBondContact CA-O 3.27Å; Y97-Q106 HydrophobicContact CD1-CB 4.03Å; Y97-Q106 HydrophobicContact CD1-CG 4.16Å; Y97-Q106 HydrophobicContact CE1-CB 4.01Å; Y97-Q106 HydrophobicContact CE1-CG 3.84Å
98	Y	95.5	Very high	94.3	Very high	85 Å²	85	55.1 Å²	55.1	33%	0.333	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.3	174.3	-58.4	-47.2	0	0	0	109.1	L77 I79 V104 L105 A107	L77-Y98 HydrophobicContact CD1-CD1 4.38Å; I79-Y98 HydrophobicContact CD1-CD1 4.44Å; I79-Y98 HydrophobicContact CD1-CE1 4.13Å; I79-Y98 HydrophobicContact CG1-CD1 4.04Å; I79-Y98 HydrophobicContact CG1-CE1 4.21Å; I79-Y98 HydrophobicContact CG2-CD1 4.34Å; I79-Y98 HydrophobicContact CG2-CE1 4.27Å; Y98-V104 CarbonylContact O-C 3.55Å; Y98-V104 VanDerWaalsContact O-CA 3.32Å; Y98-V104 WeakPolarHBondContact O-CA 3.45Å; Y98-L105 PolarHBondContact N-O 3.1Å; Y98-L105 PolarHBondContact O-N 3.26Å; Y98-A107 HydrophobicContact CD2-CB 3.92Å; Y98-A107 HydrophobicContact CE1-CB 4.23Å; Y98-A107 HydrophobicContact CE2-CB 3.34Å
99	V	94.9	Very high	94.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	105	168.3	-170.5	0	0	0	0	106.6	L23 V28 Y31 L77 F78 I80 T103 V104	L23-V99 HydrophobicContact CD1-CG1 4.24Å; V28-V99 HydrophobicContact CG2-CB 4.37Å; V28-V99 HydrophobicContact CG2-CG1 4.35Å; V28-V99 HydrophobicContact CG2-CG2 4.19Å; Y31-V99 HydrophobicContact CD1-CG1 4.18Å; Y31-V99 HydrophobicContact CE1-CG1 3.92Å; L77-V99 WeakPolarHBondContact CA-O 3.5Å; F78-V99 HydrophobicContact CB-CB 4.13Å; F78-V99 HydrophobicContact CD2-CB 4.43Å; F78-V99 PolarHBondContact N-O 2.88Å; F78-V99 PolarHBondContact O-N 2.81Å; I80-V99 HydrophobicContact CD1-CG2 4.02Å; V99-T103 CarbonylContact C-O 3.46Å; V99-T103 WeakPolarHBondContact CA-O 3.5Å; V99-V104 HydrophobicContact CG1-CG2 4.3Å; V99-V104 HydrophobicContact CG2-CG2 4.11Å
100	I	93.7	Very high	94.1	Very high	65 Å²	65	54.2 Å²	54.2	33%	0.333	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.9	-175.7	-55.4	175.4	0	0	0	108.1	I76 L77 G102 T103	I76-I100 WeakPolarHBondContact O-CA 3.27Å; L77-I100 HydrophobicContact CD1-CD1 4.3Å; L77-I100 HydrophobicContact CD1-CG1 3.71Å; I100-G102 PolarHBondContact O-N 3.22Å; I100-G102 VanDerWaalsContact O-N 3.14Å; I100-T103 PolarHBondContact N-O 3.37Å; I100-T103 WeakPolarHBondContact O-CB 3.44Å; I100-T103 PolarHBondContact O-N 3.14Å
101	N	90.5	Very high	94	Very high	109 Å²	109	51.5 Å²	51.5	58%	0.583	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	38.5	-177.2	-65	-19.6	0	0	0	113.5	I76 T103	I76-N101 PolarHBondContact O-N 3.09Å; I76-N101 VanDerWaalsContact O-N 3.14Å; N101-T103 VanDerWaalsContact C-N 3.28Å; N101-T103 PolarHBondContact O-N 2.9Å
102	G	90.6	Very high	93.7	Very high	3 Å²	3	52.5 Å²	52.5	3%	0.031	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	4	-175.8	0	0	0	0	0	115.6	S15 L23 Y31 I100	S15-G102 WeakPolarHBondContact CB-O 3.42Å; L23-G102 VanDerWaalsContact CD1-CA 3.43Å; Y31-G102 PolarHBondContact OH-O 3.17Å; I100-G102 PolarHBondContact O-N 3.22Å; I100-G102 VanDerWaalsContact O-N 3.14Å
103	T	94	Very high	93.5	Very high	45 Å²	45	53.3 Å²	53.3	28%	0.276	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.9	169.2	-54.2	0	0	0	0	110	W14 V99 I100 N101 L105	W14-T103 CarbonylContact O-C 3.55Å; V99-T103 CarbonylContact C-O 3.46Å; V99-T103 WeakPolarHBondContact CA-O 3.5Å; I100-T103 PolarHBondContact N-O 3.37Å; I100-T103 WeakPolarHBondContact O-CB 3.44Å; I100-T103 PolarHBondContact O-N 3.14Å; N101-T103 VanDerWaalsContact C-N 3.28Å; N101-T103 PolarHBondContact O-N 2.9Å; T103-L105 HydrophobicContact CG2-CD2 4.27Å; T103-L105 HydrophobicContact CG2-CG 4.3Å
104	V	95.2	Very high	93.5	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.4	174.8	-173.4	0	0	0	0	109.5	W14 Y31 F32 F39 Y98 V99	W14-V104 HydrophobicContact CE3-CB 3.89Å; W14-V104 HydrophobicContact CE3-CG2 3.45Å; W14-V104 VanDerWaalsContact CE3-CG2 3.45Å; W14-V104 HydrophobicContact CZ3-CG2 3.61Å; W14-V104 PolarHBondContact N-O 3.16Å; W14-V104 VanDerWaalsContact N-O 3.12Å; W14-V104 PolarHBondContact O-N 3.12Å; Y31-V104 HydrophobicContact CD1-CG2 4.43Å; Y31-V104 HydrophobicContact CE1-CG2 3.68Å; F32-V104 HydrophobicContact CD2-CG1 3.8Å; F32-V104 HydrophobicContact CD2-CG2 4.41Å; F32-V104 HydrophobicContact CE2-CG1 3.6Å; F39-V104 HydrophobicContact CD2-CB 4.2Å; F39-V104 HydrophobicContact CD2-CG1 3.58Å; F39-V104 HydrophobicContact CE2-CB 4.34Å; F39-V104 HydrophobicContact CE2-CG1 4.06Å; F39-V104 WeakPolarHBondContact CE2-O 3.44Å; F39-V104 HydrophobicContact CG-CG1 4.47Å; Y98-V104 CarbonylContact O-C 3.55Å; Y98-V104 VanDerWaalsContact O-CA 3.32Å; Y98-V104 WeakPolarHBondContact O-CA 3.45Å; V99-V104 HydrophobicContact CG1-CG2 4.3Å; V99-V104 HydrophobicContact CG2-CG2 4.11Å
105	L	94.9	Very high	93.5	Very high	62 Å²	62	56 Å²	56	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.9	179.5	-62.8	171.4	0	0	0	109.7	Y97 Y98 T103	Y97-L105 CarbonylContact C-O 3.58Å; Y97-L105 VanDerWaalsContact CA-O 3.24Å; Y97-L105 WeakPolarHBondContact CA-O 3.27Å; Y98-L105 PolarHBondContact N-O 3.1Å; Y98-L105 PolarHBondContact O-N 3.26Å; T103-L105 HydrophobicContact CG2-CD2 4.27Å; T103-L105 HydrophobicContact CG2-CG 4.3Å
106	Q	94.9	Very high	93.5	Very high	22 Å²	22	58.5 Å²	58.5	10%	0.103	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.3	168.8	-172.3	175.5	0.6	0	0	110.4	Y10 F39 Y97	Y10-Q106 HydrophobicContact CD1-CB 4.29Å; Y10-Q106 HydrophobicContact CD1-CG 3.97Å; Y10-Q106 HydrophobicContact CE1-CG 3.9Å; F39-Q106 HydrophobicContact CD1-CB 4.37Å; F39-Q106 HydrophobicContact CE1-CB 3.99Å; Y97-Q106 HydrophobicContact CD1-CB 4.03Å; Y97-Q106 HydrophobicContact CD1-CG 4.16Å; Y97-Q106 HydrophobicContact CE1-CB 4.01Å; Y97-Q106 HydrophobicContact CE1-CG 3.84Å
107	A	92.8	Very high	93.5	Very high	13 Å²	13	63 Å²	63	11%	0.107	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-69.6	128.8	174.6	0	0	0	0	0	110	Y96 Y98	Y96-A107 VanDerWaalsContact O-CB 3.27Å; Y96-A107 WeakPolarHBondContact O-CB 3.37Å; Y96-A107 PolarHBondContact O-N 2.62Å; Y98-A107 HydrophobicContact CD2-CB 3.92Å; Y98-A107 HydrophobicContact CE1-CB 4.23Å; Y98-A107 HydrophobicContact CE2-CB 3.34Å
108	P	91.1	Very high	93.6	Very high	69 Å²	69	67.3 Å²	67.3	45%	0.448	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-68.7	138.4	176.7	28.8	-33.8	0	0	0	110.5
109	D	91	Very high	93.7	Very high	83 Å²	83	68.4 Å²	68.4	44%	0.444	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-67.2	146.5	171.4	-176.1	29	0	0	0	110.7	S111 T112 L113	D109-S111 VanDerWaalsContact C-N 3.26Å; D109-S111 PolarHBondContact O-N 3.1Å; D109-S111 WeakPolarHBondContact OD2-CB 3.3Å; D109-S111 PolarHBondContact OD2-OG 3.33Å; D109-T112 PolarHBondContact O-N 3.38Å; D109-T112 VanDerWaalsContact O-N 3.12Å; D109-L113 PolarHBondContact O-N 3.27Å
110	L	91.9	Very high	93.8	Very high	119 Å²	119	72.7 Å²	72.7	62%	0.623	40%	0.395	S	S	*	.	H	α-helix	trans	-57.9	-42	-180	178.5	62.1	0	0	0	111	T112 L113 L114	L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 3.3Å; L110-L114 HydrophobicContact CD1-CD1 4.19Å; L110-L114 HydrophobicContact CD1-CG 4.15Å; L110-L114 HydrophobicContact CG-CD1 4.09Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.07Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.04Å
111	S	92.4	Very high	94	Very high	58 Å²	58	72.7 Å²	72.7	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-42.1	178.6	73.5	0	0	0	0	111.8	D109 N115	D109-S111 VanDerWaalsContact C-N 3.26Å; D109-S111 PolarHBondContact O-N 3.1Å; D109-S111 WeakPolarHBondContact OD2-CB 3.3Å; D109-S111 PolarHBondContact OD2-OG 3.33Å; S111-N115 WeakPolarHBondContact O-CB 3.34Å; S111-N115 PolarHBondContact O-N 3.44Å; S111-N115 PolarHBondContact O-ND2 3.37Å
112	T	90.8	Very high	94.3	Very high	57 Å²	57	71.9 Å²	71.9	35%	0.35	40%	0.399	S	S	.	.	H	α-helix	trans	-69.5	-42.2	-179.5	-59.6	0	0	0	0	110.6	Y10 D109 L110 N115 S116	Y10-T112 HydrophobicContact CE2-CG2 4.38Å; D109-T112 PolarHBondContact O-N 3.38Å; D109-T112 VanDerWaalsContact O-N 3.12Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-T112 PolarHBondContact O-N 3.48Å; T112-N115 PolarHBondContact O-N 3.37Å; T112-S116 WeakPolarHBondContact O-CB 3.32Å; T112-S116 PolarHBondContact O-N 2.78Å
113	L	92	Very high	94.7	Very high	75 Å²	75	75.8 Å²	75.8	39%	0.393	42%	0.423	S	S	.	.	H	α-helix	trans	-61.6	-48.3	175.9	-173.1	155.6	0	0	0	111.2	D109 L110 S116 R117	D109-L113 PolarHBondContact O-N 3.27Å; L110-L113 PolarHBondContact O-N 3.3Å; L113-S116 PolarHBondContact O-N 3.03Å; L113-R117 HydrophobicContact CD2-CG 4.03Å; L113-R117 VanDerWaalsContact O-CG 3.25Å; L113-R117 WeakPolarHBondContact O-CG 3.49Å; L113-R117 PolarHBondContact O-N 3.16Å
114	L	96.5	Very high	94.8	Very high	98 Å²	98	75.3 Å²	75.3	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-45.5	178.7	-71.7	176.5	0	0	0	111.7	L110 S116 R117 L118	L110-L114 HydrophobicContact CD1-CD1 4.19Å; L110-L114 HydrophobicContact CD1-CG 4.15Å; L110-L114 HydrophobicContact CG-CD1 4.09Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.07Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.04Å; L114-S116 PolarHBondContact O-N 3.36Å; L114-R117 PolarHBondContact O-N 2.68Å; L114-L118 VanDerWaalsContact O-CB 3.27Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 PolarHBondContact O-N 3.44Å
115	N	95.3	Very high	94.9	Very high	105 Å²	105	80.4 Å²	80.4	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-61.2	-43.2	178.1	-73.7	-19.3	0	0	0	111.9	S111 T112 L118 L119	S111-N115 WeakPolarHBondContact O-CB 3.34Å; S111-N115 PolarHBondContact O-N 3.44Å; S111-N115 PolarHBondContact O-ND2 3.37Å; T112-N115 PolarHBondContact O-N 3.37Å; N115-L118 PolarHBondContact O-N 2.97Å; N115-L119 VanDerWaalsContact O-CB 3.25Å; N115-L119 WeakPolarHBondContact O-CB 3.35Å; N115-L119 PolarHBondContact O-N 3.12Å
116	S	93.7	Very high	95	Very high	70 Å²	70	83.3 Å²	83.3	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-61.9	-43.9	176	178.1	0	0	0	0	112.2	T112 L113 L114 T120	T112-S116 WeakPolarHBondContact O-CB 3.32Å; T112-S116 PolarHBondContact O-N 2.78Å; L113-S116 PolarHBondContact O-N 3.03Å; L114-S116 PolarHBondContact O-N 3.36Å; S116-T120 PolarHBondContact O-N 3.32Å; S116-T120 PolarHBondContact O-OG1 3.43Å
117	R	95.5	Very high	95	Very high	175 Å²	175	89.2 Å²	89.2	66%	0.66	49%	0.488	S	S	*	.	H	α-helix	trans	-65.8	-45.9	177.7	-69.5	-70.3	-177.8	-158	-1.4	112.1	L113 L114 T120 A121	L113-R117 HydrophobicContact CD2-CG 4.03Å; L113-R117 VanDerWaalsContact O-CG 3.25Å; L113-R117 WeakPolarHBondContact O-CG 3.49Å; L113-R117 PolarHBondContact O-N 3.16Å; L114-R117 PolarHBondContact O-N 2.68Å; R117-T120 WeakPolarHBondContact O-CB 3.49Å; R117-T120 PolarHBondContact O-N 2.73Å; R117-A121 PolarHBondContact O-N 3.47Å
118	L	98	Very high	95	Very high	100 Å²	100	92.1 Å²	92.1	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.4	-176.3	160.2	0	0	0	110.7	L114 N115 T120 A121 I122	L114-L118 VanDerWaalsContact O-CB 3.27Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 PolarHBondContact O-N 3.44Å; N115-L118 PolarHBondContact O-N 2.97Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 3.39Å; L118-A121 PolarHBondContact O-N 3.13Å; L118-I122 HydrophobicContact CD2-CD1 3.32Å; L118-I122 HydrophobicContact CD2-CG1 4Å; L118-I122 HydrophobicContact CG-CD1 4.37Å; L118-I122 WeakPolarHBondContact O-CG1 3.27Å; L118-I122 PolarHBondContact O-N 3.19Å
119	L	97.1	Very high	95.1	Very high	108 Å²	108	93.7 Å²	93.7	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-58.2	-45.4	175.7	-177.6	67.8	0	0	0	111.3	N115 A121 I122 V123	N115-L119 VanDerWaalsContact O-CB 3.25Å; N115-L119 WeakPolarHBondContact O-CB 3.35Å; N115-L119 PolarHBondContact O-N 3.12Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 3.42Å; L119-I122 PolarHBondContact O-N 3.26Å; L119-V123 HydrophobicContact CD1-CG2 4.37Å; L119-V123 HydrophobicContact CG-CG2 4.42Å; L119-V123 WeakPolarHBondContact O-CB 3.37Å; L119-V123 VanDerWaalsContact O-CG2 3.25Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 3.24Å
120	T	97.3	Very high	95.1	Very high	90 Å²	90	95.8 Å²	95.8	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-60	-42.9	177.3	-55.5	0	0	0	0	111.5	S116 R117 L118 V123 G124	S116-T120 PolarHBondContact O-N 3.32Å; S116-T120 PolarHBondContact O-OG1 3.43Å; R117-T120 WeakPolarHBondContact O-CB 3.49Å; R117-T120 PolarHBondContact O-N 2.73Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 3.39Å; T120-V123 PolarHBondContact O-N 3.45Å; T120-G124 PolarHBondContact O-N 3.03Å
121	A	97.9	Very high	95	Very high	66 Å²	66	92.6 Å²	92.6	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-44.3	177	0	0	0	0	0	112.3	R117 L118 L119 G124 L125	R117-A121 PolarHBondContact O-N 3.47Å; L118-A121 PolarHBondContact O-N 3.13Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 3.42Å; A121-G124 PolarHBondContact O-N 2.79Å; A121-L125 WeakPolarHBondContact O-CB 3.38Å; A121-L125 PolarHBondContact O-N 3.26Å
122	I	98.2	Very high	94.8	Very high	91 Å²	91	93.9 Å²	93.9	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-64.6	-42.2	177.1	-69.8	-176.4	0	0	0	111.1	L118 L119 G124 L125 K126	L118-I122 HydrophobicContact CD2-CD1 3.32Å; L118-I122 HydrophobicContact CD2-CG1 4Å; L118-I122 HydrophobicContact CG-CD1 4.37Å; L118-I122 WeakPolarHBondContact O-CG1 3.27Å; L118-I122 PolarHBondContact O-N 3.19Å; L119-I122 PolarHBondContact O-N 3.26Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.41Å; I122-L125 PolarHBondContact O-N 3Å; I122-K126 VanDerWaalsContact O-CB 3.23Å; I122-K126 WeakPolarHBondContact O-CB 3.06Å; I122-K126 PolarHBondContact O-N 3.31Å
123	V	97.8	Very high	94.5	Very high	86 Å²	86	93.4 Å²	93.4	52%	0.521	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-42.3	176.2	170	0	0	0	0	110.5	L119 T120 K126 K127	L119-V123 HydrophobicContact CD1-CG2 4.37Å; L119-V123 HydrophobicContact CG-CG2 4.42Å; L119-V123 WeakPolarHBondContact O-CB 3.37Å; L119-V123 VanDerWaalsContact O-CG2 3.25Å; L119-V123 WeakPolarHBondContact O-CG2 3.25Å; L119-V123 PolarHBondContact O-N 3.24Å; T120-V123 PolarHBondContact O-N 3.45Å; V123-K126 PolarHBondContact O-N 3.46Å; V123-K127 WeakPolarHBondContact O-CB 3.32Å; V123-K127 PolarHBondContact O-N 3.42Å
124	G	96.7	Very high	94.2	Very high	34 Å²	34	94 Å²	94	35%	0.351	52%	0.517	S	S	.	.	H	α-helix	trans	-59.1	-50.3	173	0	0	0	0	0	112.5	T120 A121 I122 K126 K127 V128	T120-G124 PolarHBondContact O-N 3.03Å; A121-G124 PolarHBondContact O-N 2.79Å; I122-G124 VanDerWaalsContact C-N 3.31Å; I122-G124 PolarHBondContact O-N 3.41Å; G124-K126 PolarHBondContact O-N 3.12Å; G124-K127 WeakPolarHBondContact O-CB 3.47Å; G124-K127 PolarHBondContact O-N 3.36Å; G124-V128 WeakPolarHBondContact O-CG2 3.34Å; G124-V128 PolarHBondContact O-N 2.73Å
125	L	97.2	Very high	93.6	Very high	107 Å²	107	89.6 Å²	89.6	56%	0.56	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-41.8	178.7	-179.9	137.3	0	0	0	112.2	A121 I122 K127 V128 I129	A121-L125 WeakPolarHBondContact O-CB 3.38Å; A121-L125 PolarHBondContact O-N 3.26Å; I122-L125 PolarHBondContact O-N 3Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.94Å; L125-V128 PolarHBondContact O-N 2.93Å; L125-I129 HydrophobicContact CD2-CD1 3.45Å; L125-I129 VanDerWaalsContact CD2-CD1 3.45Å; L125-I129 HydrophobicContact CD2-CG1 4.44Å; L125-I129 HydrophobicContact CG-CD1 3.96Å; L125-I129 WeakPolarHBondContact O-CB 3.47Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.36Å; L125-I129 PolarHBondContact O-N 3.42Å
126	K	96.6	Very high	93.3	Very high	123 Å²	123	86.4 Å²	86.4	54%	0.535	48%	0.483	S	S	.	.	H	α-helix	trans	-59.5	-45.2	173.6	-179.2	178.9	177.4	-179.6	0	111	I122 V123 G124 I129 Q130	I122-K126 VanDerWaalsContact O-CB 3.23Å; I122-K126 WeakPolarHBondContact O-CB 3.06Å; I122-K126 PolarHBondContact O-N 3.31Å; V123-K126 PolarHBondContact O-N 3.46Å; G124-K126 PolarHBondContact O-N 3.12Å; K126-I129 PolarHBondContact O-N 3.25Å; K126-Q130 HydrophobicContact CG-CG 4.45Å; K126-Q130 WeakPolarHBondContact O-CB 3.45Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.97Å
127	K	95.1	Very high	92.8	Very high	146 Å²	146	89.4 Å²	89.4	64%	0.635	48%	0.483	S	S	*	.	H	α-helix	trans	-60.9	-47.8	176.5	-175.2	177.3	179.5	179.6	0	110.9	V123 G124 L125 I129 Q130 T131	V123-K127 WeakPolarHBondContact O-CB 3.32Å; V123-K127 PolarHBondContact O-N 3.42Å; G124-K127 WeakPolarHBondContact O-CB 3.47Å; G124-K127 PolarHBondContact O-N 3.36Å; L125-K127 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.94Å; K127-I129 PolarHBondContact O-N 2.98Å; K127-Q130 PolarHBondContact O-N 3.47Å; K127-T131 WeakPolarHBondContact O-CG2 3.37Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 2.86Å; K127-T131 VanDerWaalsContact O-OG1 3.05Å
128	V	93.4	Very high	92.5	Very high	74 Å²	74	87.2 Å²	87.2	45%	0.448	48%	0.476	S	S	.	.	H	α-helix	trans	-58.9	-48.4	177.3	171.8	0	0	0	0	110.9	G124 L125 Q130 T131 L132	G124-V128 WeakPolarHBondContact O-CG2 3.34Å; G124-V128 PolarHBondContact O-N 2.73Å; L125-V128 PolarHBondContact O-N 2.93Å; V128-Q130 VanDerWaalsContact C-N 3.35Å; V128-Q130 PolarHBondContact O-N 2.57Å; V128-T131 WeakPolarHBondContact CA-OG1 3.25Å; V128-T131 PolarHBondContact O-N 3.35Å; V128-T131 PolarHBondContact O-OG1 3.18Å; V128-L132 HydrophobicContact CG1-CD1 3.97Å; V128-L132 HydrophobicContact CG1-CD2 4.08Å; V128-L132 WeakPolarHBondContact O-CB 3.49Å; V128-L132 WeakPolarHBondContact O-CD1 3.25Å; V128-L132 PolarHBondContact O-N 3.33Å
129	I	92.6	Very high	92.1	Very high	103 Å²	103	86.1 Å²	86.1	53%	0.528	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-40	178.8	-68.5	173	0	0	0	111.4	L125 K126 K127 T131 G133	L125-I129 HydrophobicContact CD2-CD1 3.45Å; L125-I129 VanDerWaalsContact CD2-CD1 3.45Å; L125-I129 HydrophobicContact CD2-CG1 4.44Å; L125-I129 HydrophobicContact CG-CD1 3.96Å; L125-I129 WeakPolarHBondContact O-CB 3.47Å; L125-I129 VanDerWaalsContact O-CG1 3.3Å; L125-I129 WeakPolarHBondContact O-CG1 3.36Å; L125-I129 PolarHBondContact O-N 3.42Å; K126-I129 PolarHBondContact O-N 3.25Å; K127-I129 PolarHBondContact O-N 2.98Å; I129-T131 VanDerWaalsContact C-N 3.29Å; I129-T131 PolarHBondContact O-N 3.43Å; I129-G133 WeakPolarHBondContact O-CA 3.43Å; I129-G133 PolarHBondContact O-N 3.02Å
130	Q	91.6	Very high	91.8	Very high	126 Å²	126	86.2 Å²	86.2	59%	0.589	48%	0.475	S	S	*	.	H	α-helix	trans	-66.1	-32.3	176.6	-74.4	176.8	-28.3	0	0	112.4	K126 K127 V128 P134	K126-Q130 HydrophobicContact CG-CG 4.45Å; K126-Q130 WeakPolarHBondContact O-CB 3.45Å; K126-Q130 WeakPolarHBondContact O-CG 3.44Å; K126-Q130 PolarHBondContact O-N 2.97Å; K127-Q130 PolarHBondContact O-N 3.47Å; V128-Q130 VanDerWaalsContact C-N 3.35Å; V128-Q130 PolarHBondContact O-N 2.57Å; Q130-P134 VanDerWaalsContact O-CD 3.26Å; Q130-P134 WeakPolarHBondContact O-CD 3.27Å
131	T	88.8	Confident	91.4	Very high	52 Å²	52	87.4 Å²	87.4	32%	0.319	49%	0.487	S	S	.	.	H	α-helix	trans	-82	-36.8	175.9	53.6	0	0	0	0	113.5	K127 V128 I129 C135	K127-T131 WeakPolarHBondContact O-CG2 3.37Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 2.86Å; K127-T131 VanDerWaalsContact O-OG1 3.05Å; V128-T131 WeakPolarHBondContact CA-OG1 3.25Å; V128-T131 PolarHBondContact O-N 3.35Å; V128-T131 PolarHBondContact O-OG1 3.18Å; I129-T131 VanDerWaalsContact C-N 3.29Å; I129-T131 PolarHBondContact O-N 3.43Å; T131-C135 PolarHBondContact O-SG 3.13Å; T131-C135 VanDerWaalsContact O-SG 3.36Å
132	L	87.9	Confident	90.8	Very high	86 Å²	86	90 Å²	90	45%	0.45	49%	0.492	S	S	.	.	H	α-helix	trans	-86.6	-27.4	-177.9	-91.2	65.7	0	0	0	112.7	V128 P134 C135 A136	V128-L132 HydrophobicContact CG1-CD1 3.97Å; V128-L132 HydrophobicContact CG1-CD2 4.08Å; V128-L132 WeakPolarHBondContact O-CB 3.49Å; V128-L132 WeakPolarHBondContact O-CD1 3.25Å; V128-L132 PolarHBondContact O-N 3.33Å; L132-P134 VanDerWaalsContact C-N 3.34Å; L132-C135 WeakPolarHBondContact O-CA 3.38Å; L132-C135 WeakPolarHBondContact O-CB 3.48Å; L132-C135 PolarHBondContact O-N 3.41Å; L132-A136 PolarHBondContact O-N 3.45Å
133	G	86.5	Confident	90.3	Very high	46 Å²	46	87.6 Å²	87.6	47%	0.474	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-51.7	-47.6	-179.4	0	0	0	0	0	112.8	I129 C135 A136	I129-G133 WeakPolarHBondContact O-CA 3.43Å; I129-G133 PolarHBondContact O-N 3.02Å; G133-C135 VanDerWaalsContact C-N 3.27Å; G133-C135 PolarHBondContact O-N 3.02Å; G133-A136 PolarHBondContact O-N 2.85Å
134	P	84.9	Confident	89.9	Confident	87 Å²	87	85.5 Å²	85.5	57%	0.565	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-68.3	-20	174.8	-22.5	34.6	0	0	0	115.1	Q130 L132 A136 L153	Q130-P134 VanDerWaalsContact O-CD 3.26Å; Q130-P134 WeakPolarHBondContact O-CD 3.27Å; L132-P134 VanDerWaalsContact C-N 3.34Å; P134-A136 VanDerWaalsContact C-N 3.34Å; P134-L153 WeakPolarHBondContact O-CD1 3.42Å
135	C	84.1	Confident	89.5	Confident	7 Å²	7	91 Å²	91	5%	0.047	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-79.3	-18	-179.4	-55.8	0	0	0	0	112.7	T131 L132 G133 W147 D148 L153	T131-C135 PolarHBondContact O-SG 3.13Å; T131-C135 VanDerWaalsContact O-SG 3.36Å; L132-C135 WeakPolarHBondContact O-CA 3.38Å; L132-C135 WeakPolarHBondContact O-CB 3.48Å; L132-C135 PolarHBondContact O-N 3.41Å; G133-C135 VanDerWaalsContact C-N 3.27Å; G133-C135 PolarHBondContact O-N 3.02Å; C135-W147 CarbonylContact O-C 3.59Å; C135-W147 WeakPolarHBondContact O-CA 3.25Å; C135-D148 PolarHBondContact O-N 3.19Å; C135-L153 HydrophobicContact CB-CD1 4.1Å
136	A	87.5	Confident	89	Confident	38 Å²	38	87.6 Å²	87.6	31%	0.314	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	119.4	178.4	0	0	0	0	0	110.7	L132 G133 P134 W147	L132-A136 PolarHBondContact O-N 3.45Å; G133-A136 PolarHBondContact O-N 2.85Å; P134-A136 VanDerWaalsContact C-N 3.34Å; A136-W147 HydrophobicContact CB-CE3 4Å; A136-W147 HydrophobicContact CB-CH2 4.19Å; A136-W147 HydrophobicContact CB-CZ3 3.64Å
137	R	85.1	Confident	88.5	Confident	133 Å²	133	90.1 Å²	90.1	50%	0.502	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.3	170.8	-69.7	-175.3	-173.3	178.8	9.1	110.2	Y145 S146 D148	R137-Y145 WeakPolarHBondContact O-CA 3.4Å; R137-S146 WeakPolarHBondContact CB-OG 3.45Å; R137-S146 PolarHBondContact N-O 3.28Å; R137-S146 PolarHBondContact O-N 2.9Å; R137-D148 IonicContact CZ-OD1 3.5Å; R137-D148 IonicContact CZ-OD2 2.96Å; R137-D148 IonicContact NE-OD1 3.46Å; R137-D148 PolarHBondContact NE-OD1 2.84Å; R137-D148 IonicContact NE-OD2 2.7Å; R137-D148 PolarHBondContact NE-OD2 3.48Å; R137-D148 IonicContact NH1-OD1 3.96Å; R137-D148 IonicContact NH2-OD1 3.72Å; R137-D148 IonicContact NH2-OD2 2.73Å; R137-D148 PolarHBondContact NH2-OD2 2.97Å
138	Y	89.1	Confident	87.9	Confident	128 Å²	128	84.9 Å²	84.9	50%	0.502	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.9	174.9	178.3	-110.1	0	0	0	110.4	P140 Y145	Y138-P140 HydrophobicContact CE1-CB 4.05Å; Y138-P140 WeakPolarHBondContact O-CD 3.49Å; Y138-Y145 HydrophobicContact CD2-CD1 4.28Å; Y138-Y145 HydrophobicContact CD2-CD2 4.45Å; Y138-Y145 AromaticContact CD2-CE1 3.9Å; Y138-Y145 HydrophobicContact CD2-CE1 3.9Å; Y138-Y145 HydrophobicContact CD2-CE2 4.07Å; Y138-Y145 AromaticContact CD2-CZ 3.78Å; Y138-Y145 HydrophobicContact CE2-CE2 4.38Å; Y138-Y145 HydrophobicContact CG-CE1 4.42Å
139	H	89.2	Confident	87	Confident	78 Å²	78	86.7 Å²	86.7	36%	0.361	47%	0.467	S	S	.	.			trans	-100.7	103.5	176.5	-67.5	-72.3	0	0	0	110.2	S141 D142 G143 S144 S146	H139-S141 PolarHBondContact O-N 3.01Å; H139-S141 VanDerWaalsContact O-N 3.1Å; H139-D142 PolarHBondContact O-N 3.44Å; H139-G143 PolarHBondContact O-N 2.92Å; H139-S144 PolarHBondContact N-O 3.42Å; H139-S144 VanDerWaalsContact N-O 3.1Å; H139-S146 PolarHBondContact CD2-OG 3Å; H139-S146 PolarHBondContact NE2-OG 3.42Å
140	P	91	Very high	85.9	Confident	109 Å²	109	84.6 Å²	84.6	71%	0.708	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.4	-173.9	26.4	-35.4	0	0	0	114	Y138	Y138-P140 HydrophobicContact CE1-CB 4.05Å; Y138-P140 WeakPolarHBondContact O-CD 3.49Å
141	S	89.1	Confident	84.7	Confident	115 Å²	115	82.8 Å²	82.8	80%	0.804	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-33.2	179.1	51.7	0	0	0	0	113.7	H139	H139-S141 PolarHBondContact O-N 3.01Å; H139-S141 VanDerWaalsContact O-N 3.1Å
142	D	84.3	Confident	83.7	Confident	122 Å²	122	84.4 Å²	84.4	65%	0.652	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-12.7	-175.2	-171.6	38.8	0	0	0	111.8	H139 S144	H139-D142 PolarHBondContact O-N 3.44Å; D142-S144 PolarHBondContact O-N 2.85Å; D142-S144 VanDerWaalsContact O-N 3.1Å; D142-S144 VanDerWaalsContact OD2-CB 3.27Å; D142-S144 WeakPolarHBondContact OD2-CB 3.5Å; D142-S144 PolarHBondContact OD2-OG 3.11Å
143	G	88.4	Confident	82.5	Confident	39 Å²	39	84 Å²	84	40%	0.402	46%	0.462	S	S	.	.			trans	67.4	3.5	-173.8	0	0	0	0	0	113.6	H139	H139-G143 PolarHBondContact O-N 2.92Å
144	S	89.2	Confident	81.4	Confident	42 Å²	42	85.9 Å²	85.9	29%	0.294	46%	0.461	S	S	.	.			trans	-84.1	155.1	179.7	60.3	0	0	0	0	112	H139 D142	H139-S144 PolarHBondContact N-O 3.42Å; H139-S144 VanDerWaalsContact N-O 3.1Å; D142-S144 PolarHBondContact O-N 2.85Å; D142-S144 VanDerWaalsContact O-N 3.1Å; D142-S144 VanDerWaalsContact OD2-CB 3.27Å; D142-S144 WeakPolarHBondContact OD2-CB 3.5Å; D142-S144 PolarHBondContact OD2-OG 3.11Å
145	Y	87.3	Confident	80.2	Confident	149 Å²	149	84.6 Å²	84.6	58%	0.584	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103	130.2	171.3	-71.6	-91.9	0	0	0	109	R137 Y138	R137-Y145 WeakPolarHBondContact O-CA 3.4Å; Y138-Y145 HydrophobicContact CD2-CD1 4.28Å; Y138-Y145 HydrophobicContact CD2-CD2 4.45Å; Y138-Y145 AromaticContact CD2-CE1 3.9Å; Y138-Y145 HydrophobicContact CD2-CE1 3.9Å; Y138-Y145 HydrophobicContact CD2-CE2 4.07Å; Y138-Y145 AromaticContact CD2-CZ 3.78Å; Y138-Y145 HydrophobicContact CE2-CE2 4.38Å; Y138-Y145 HydrophobicContact CG-CE1 4.42Å
146	S	87.7	Confident	79	Confident	37 Å²	37	92.5 Å²	92.5	26%	0.259	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145.8	165.4	60.5	0	0	0	0	109.5	R137 H139	R137-S146 WeakPolarHBondContact CB-OG 3.45Å; R137-S146 PolarHBondContact N-O 3.28Å; R137-S146 PolarHBondContact O-N 2.9Å; H139-S146 PolarHBondContact CD2-OG 3Å; H139-S146 PolarHBondContact NE2-OG 3.42Å
147	W	85.6	Confident	77.3	Confident	176 Å²	176	95 Å²	95	67%	0.667	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.8	179.3	-59	94.5	0	0	0	108	C135 A136	C135-W147 CarbonylContact O-C 3.59Å; C135-W147 WeakPolarHBondContact O-CA 3.25Å; A136-W147 HydrophobicContact CB-CE3 4Å; A136-W147 HydrophobicContact CB-CH2 4.19Å; A136-W147 HydrophobicContact CB-CZ3 3.64Å
148	D	82.5	Confident	75.6	Confident	35 Å²	35	97.9 Å²	97.9	19%	0.187	52%	0.518	C	S	.	.			trans	-74.8	140.7	170.7	-72.7	-21.7	0	0	0	109.1	C135 R137 P150 L153	C135-D148 PolarHBondContact O-N 3.19Å; R137-D148 IonicContact CZ-OD1 3.5Å; R137-D148 IonicContact CZ-OD2 2.96Å; R137-D148 IonicContact NE-OD1 3.46Å; R137-D148 PolarHBondContact NE-OD1 2.84Å; R137-D148 IonicContact NE-OD2 2.7Å; R137-D148 PolarHBondContact NE-OD2 3.48Å; R137-D148 IonicContact NH1-OD1 3.96Å; R137-D148 IonicContact NH2-OD1 3.72Å; R137-D148 IonicContact NH2-OD2 2.73Å; R137-D148 PolarHBondContact NH2-OD2 2.97Å; D148-P150 WeakPolarHBondContact O-CD 3.44Å; D148-P150 VanDerWaalsContact O-N 3.16Å; D148-L153 HydrophobicContact CB-CD1 3.5Å; D148-L153 HydrophobicContact CB-CG 3.95Å
149	D	75.3	Confident	73.5	Confident	112 Å²	112	99.5 Å²	99.5	60%	0.599	53%	0.53	S	S	*	.			trans	-58	122.5	176.3	-80.2	-32.1	0	0	0	109.8	N151 V152 L153	D149-N151 PolarHBondContact O-N 3.27Å; D149-V152 HydrophobicContact CB-CB 4.28Å; D149-V152 HydrophobicContact CB-CG2 3.69Å; D149-V152 WeakPolarHBondContact O-CB 3.36Å; D149-V152 PolarHBondContact O-N 3.02Å; D149-L153 PolarHBondContact O-N 2.89Å
150	P	68.1	Low	71.4	Confident	59 Å²	59	100.7 Å²	100.7	38%	0.383	55%	0.545	S	S	.	.	H	α-helix	trans	-60.6	-26.7	-177.3	23.6	-33.5	0	0	0	111.5	D148 V152 L153 L154	D148-P150 WeakPolarHBondContact O-CD 3.44Å; D148-P150 VanDerWaalsContact O-N 3.16Å; P150-V152 VanDerWaalsContact C-N 3.33Å; P150-L153 PolarHBondContact O-N 3.45Å; P150-L154 HydrophobicContact CB-CD1 4.26Å; P150-L154 WeakPolarHBondContact O-CB 3.23Å; P150-L154 VanDerWaalsContact O-CG 3.28Å; P150-L154 WeakPolarHBondContact O-CG 3.47Å; P150-L154 PolarHBondContact O-N 3.39Å
151	N	68	Low	68.9	Low	89 Å²	89	102.2 Å²	102.2	48%	0.476	55%	0.547	S	S	.	.	H	α-helix	trans	-67.9	-31.2	175.7	-62.6	-29	0	0	0	112.9	D149 G155 Y156 N157	D149-N151 PolarHBondContact O-N 3.27Å; N151-G155 PolarHBondContact O-N 3.41Å; N151-Y156 PolarHBondContact O-N 2.84Å; N151-N157 PolarHBondContact O-N 2.94Å
152	V	67.5	Low	66.7	Low	86 Å²	86	104.9 Å²	104.9	52%	0.521	55%	0.547	S	S	.	.	H	α-helix	trans	-73.8	-43.6	175.9	-179.9	0	0	0	0	110	D149 P150 N157	D149-V152 HydrophobicContact CB-CB 4.28Å; D149-V152 HydrophobicContact CB-CG2 3.69Å; D149-V152 WeakPolarHBondContact O-CB 3.36Å; D149-V152 PolarHBondContact O-N 3.02Å; P150-V152 VanDerWaalsContact C-N 3.33Å; V152-N157 VanDerWaalsContact CA-ND2 3.34Å; V152-N157 WeakPolarHBondContact CA-ND2 3.28Å; V152-N157 WeakPolarHBondContact CG2-ND2 3.17Å; V152-N157 PolarHBondContact N-ND2 3.14Å
153	L	61.4	Low	64.2	Low	76 Å²	76	104.5 Å²	104.5	40%	0.398	55%	0.549	S	S	.	.	H	α-helix	trans	-79.4	-32.9	-177.1	-71	178.6	0	0	0	114.4	P134 C135 D148 D149 P150 G155	P134-L153 WeakPolarHBondContact O-CD1 3.42Å; C135-L153 HydrophobicContact CB-CD1 4.1Å; D148-L153 HydrophobicContact CB-CD1 3.5Å; D148-L153 HydrophobicContact CB-CG 3.95Å; D149-L153 PolarHBondContact O-N 2.89Å; P150-L153 PolarHBondContact O-N 3.45Å; L153-G155 PolarHBondContact O-N 3.49Å
154	L	63.3	Low	61.8	Low	86 Å²	86	113.9 Å²	113.9	45%	0.45	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	6	177.3	-63.3	166.8	0	0	0	112.7	P150 Y156	P150-L154 HydrophobicContact CB-CD1 4.26Å; P150-L154 WeakPolarHBondContact O-CB 3.23Å; P150-L154 VanDerWaalsContact O-CG 3.28Å; P150-L154 WeakPolarHBondContact O-CG 3.47Å; P150-L154 PolarHBondContact O-N 3.39Å; L154-Y156 VanDerWaalsContact C-N 3.27Å; L154-Y156 HydrophobicContact CB-CD2 3.52Å; L154-Y156 HydrophobicContact CB-CE2 3.55Å; L154-Y156 HydrophobicContact CD1-CD2 4.48Å; L154-Y156 HydrophobicContact CD1-CE2 4.2Å; L154-Y156 HydrophobicContact CG-CE2 4.46Å; L154-Y156 PolarHBondContact O-N 2.82Å
155	G	60.5	Low	59.2	Low	61 Å²	61	116.6 Å²	116.6	63%	0.629	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.1	22.6	175.5	0	0	0	0	0	114.5	N151 L153 N157	N151-G155 PolarHBondContact O-N 3.41Å; L153-G155 PolarHBondContact O-N 3.49Å; G155-N157 VanDerWaalsContact C-N 3.27Å
156	Y	59.2	Low	56.7	Low	173 Å²	173	119 Å²	119	68%	0.678	61%	0.612	S	S	*	*			trans	-82.4	-5	177.1	-70	-65.4	0	0	0	113.4	N151 L154 K158	N151-Y156 PolarHBondContact O-N 2.84Å; L154-Y156 VanDerWaalsContact C-N 3.27Å; L154-Y156 HydrophobicContact CB-CD2 3.52Å; L154-Y156 HydrophobicContact CB-CE2 3.55Å; L154-Y156 HydrophobicContact CD1-CD2 4.48Å; L154-Y156 HydrophobicContact CD1-CE2 4.2Å; L154-Y156 HydrophobicContact CG-CE2 4.46Å; L154-Y156 PolarHBondContact O-N 2.82Å; Y156-K158 PolarHBondContact O-N 3.35Å; Y156-K158 VanDerWaalsContact O-N 3.08Å
157	N	51	Low	54.3	Low	89 Å²	89	122.9 Å²	122.9	48%	0.476	64%	0.639	S	S	.	*			trans	-76.7	94.9	166.6	-67.7	-31.7	0	0	0	109.6	N151 V152 G155 E159	N151-N157 PolarHBondContact O-N 2.94Å; V152-N157 VanDerWaalsContact CA-ND2 3.34Å; V152-N157 WeakPolarHBondContact CA-ND2 3.28Å; V152-N157 WeakPolarHBondContact CG2-ND2 3.17Å; V152-N157 PolarHBondContact N-ND2 3.14Å; G155-N157 VanDerWaalsContact C-N 3.27Å; N157-E159 PolarHBondContact O-N 2.93Å
158	K	49.9	Very low	52	Low	194 Å²	194	123.9 Å²	123.9	84%	0.843	65%	0.652	S	S	*	*			trans	-54.7	117.6	146.2	-71.6	178.8	177.4	179.7	0	106	Y156 P160	Y156-K158 PolarHBondContact O-N 3.35Å; Y156-K158 VanDerWaalsContact O-N 3.08Å; K158-P160 WeakPolarHBondContact O-CD 3.48Å; K158-P160 VanDerWaalsContact O-N 3.16Å
159	E	44.9	Very low	49.9	Very low	162 Å²	162	126.9 Å²	126.9	76%	0.757	68%	0.675	S	S	*	*			trans	-45.3	124.6	169.5	-71.5	-173	142.1	0	0	108.5	N157 D161	N157-E159 PolarHBondContact O-N 2.93Å; E159-D161 VanDerWaalsContact C-N 3.25Å; E159-D161 PolarHBondContact O-N 3.49Å
160	P	45.6	Very low	48.3	Very low	103 Å²	103	127.9 Å²	127.9	67%	0.669	69%	0.685	S	S	*	*			trans	-72.1	95.2	163.9	29.5	-28	0	0	0	105.7	K158 Q162	K158-P160 WeakPolarHBondContact O-CD 3.48Å; K158-P160 VanDerWaalsContact O-N 3.16Å; P160-Q162 PolarHBondContact O-N 2.87Å
161	D	38.4	Very low	47.2	Very low	141 Å²	141	127.8 Å²	127.8	75%	0.754	69%	0.686	S	S	*	*			trans	-55.8	89.5	160.6	-89.6	-26.4	0	0	0	107.6	E159 T163	E159-D161 VanDerWaalsContact C-N 3.25Å; E159-D161 PolarHBondContact O-N 3.49Å; D161-T163 PolarHBondContact O-N 3.32Å
162	Q	41.9	Very low	46.1	Very low	171 Å²	171	128 Å²	128	80%	0.799	69%	0.687	S	S	*	*			trans	-73.8	83.1	169.9	-73.6	-175.4	32.2	0	0	107.4	P160	P160-Q162 PolarHBondContact O-N 2.87Å
163	T	32.5	Very low	45.3	Very low	115 Å²	115	129.1 Å²	129.1	71%	0.706	70%	0.695	S	S	*	*			trans	-176.2	75.8	150.8	27.8	0	0	0	0	107.5	D161	D161-T163 PolarHBondContact O-N 3.32Å
164	Y	38.8	Very low	44.7	Very low	236 Å²	236	132.2 Å²	132.2	93%	0.925	71%	0.707	S	S	*	*			trans	-165.8	111.3	135.7	-87.2	-65.2	0	0	0	107.7
165	A	34.6	Very low	44.1	Very low	98 Å²	98	135.2 Å²	135.2	81%	0.81	71%	0.712	S	S	*	*			trans	-59	145.8	168.9	0	0	0	0	0	110.1
166	K	34.6	Very low	43.7	Very low	199 Å²	199	137.1 Å²	137.1	87%	0.865	71%	0.708	S	S	*	*			trans	84.6	88.9	158	-140.2	177.6	-163.4	177.3	0	115.4
167	S	37.5	Very low	43.5	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	71%	0.709	S	S	*	*			trans	-172	127.8	134.3	-76.5	0	0	0	0	110.4	S169	S167-S169 PolarHBondContact O-N 3.49Å
168	Q	37	Very low	43.6	Very low	198 Å²	198	138.5 Å²	138.5	93%	0.925	72%	0.716	S	S	*	*			trans	-68.4	114.1	179.2	-64	159.6	-14.3	0	0	110.6
169	S	38.9	Very low	43.7	Very low	97 Å²	97	137.3 Å²	137.3	68%	0.678	71%	0.711	S	S	*	*			trans	-178.2	62.3	157.4	57.4	0	0	0	0	112.9	S167	S167-S169 PolarHBondContact O-N 3.49Å
170	T	41.2	Very low	44.3	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	71%	0.711	S	S	*	*			trans	-116.4	13.6	173.1	43.1	0	0	0	0	113.7
171	S	44.5	Very low	45.1	Very low	58 Å²	58	131.5 Å²	131.5	41%	0.406	69%	0.692	S	S	.	*	S	Bend	trans	-90.8	0.5	179.7	65.3	0	0	0	0	115.3	R175	S171-R175 VanDerWaalsContact O-CD 3.3Å; S171-R175 WeakPolarHBondContact O-CD 3.38Å; S171-R175 WeakPolarHBondContact O-CG 3.4Å; S171-R175 VanDerWaalsContact O-CZ 3.31Å; S171-R175 PolarHBondContact O-NE 2.78Å; S171-R175 PolarHBondContact O-NH1 3.3Å; S171-R175 VanDerWaalsContact O-NH1 3.14Å; S171-R175 PolarHBondContact OG-NH1 2.9Å
172	N	44.8	Very low	46.8	Very low	93 Å²	93	129.2 Å²	129.2	50%	0.497	68%	0.68	S	S	.	*	S	Bend	trans	-99.1	-27.6	-171.4	-71.1	-7.7	0	0	0	113.9	R175 D176	N172-R175 PolarHBondContact O-N 3.48Å; N172-R175 PolarHBondContact OD1-NH1 2.91Å; N172-R175 VanDerWaalsContact OD1-NH1 3.17Å; N172-D176 PolarHBondContact O-N 3.03Å
173	T	51.4	Low	48.4	Very low	110 Å²	110	126.4 Å²	126.4	68%	0.675	67%	0.67	S	S	*	*	H	α-helix	trans	-73.1	-33.7	-175.3	-28.6	0	0	0	0	113.2
174	E	49	Very low	50.4	Low	141 Å²	141	128.6 Å²	128.6	66%	0.659	67%	0.67	S	S	*	*	H	α-helix	trans	-71.3	-38.6	172.1	-74.9	-176.7	157	0	0	111.5	D176 L177 Y178	E174-D176 PolarHBondContact O-N 3.29Å; E174-L177 PolarHBondContact O-N 2.73Å; E174-Y178 WeakPolarHBondContact O-CD2 3.41Å; E174-Y178 PolarHBondContact O-N 3.3Å
175	R	49.1	Very low	52.4	Low	148 Å²	148	123.2 Å²	123.2	56%	0.558	65%	0.653	S	S	*	*	H	α-helix	trans	-62.4	-29.8	178.6	-70.8	-178.4	-171.5	131.7	3.1	112.9	S171 N172 K179	S171-R175 VanDerWaalsContact O-CD 3.3Å; S171-R175 WeakPolarHBondContact O-CD 3.38Å; S171-R175 WeakPolarHBondContact O-CG 3.4Å; S171-R175 VanDerWaalsContact O-CZ 3.31Å; S171-R175 PolarHBondContact O-NE 2.78Å; S171-R175 PolarHBondContact O-NH1 3.3Å; S171-R175 VanDerWaalsContact O-NH1 3.14Å; S171-R175 PolarHBondContact OG-NH1 2.9Å; N172-R175 PolarHBondContact O-N 3.48Å; N172-R175 PolarHBondContact OD1-NH1 2.91Å; N172-R175 VanDerWaalsContact OD1-NH1 3.17Å; R175-K179 PolarHBondContact O-N 2.86Å; R175-K179 VanDerWaalsContact O-N 3.12Å
176	D	52.8	Low	54.3	Low	102 Å²	102	120.5 Å²	120.5	55%	0.545	63%	0.627	S	S	.	*	H	α-helix	trans	-76.1	-26.1	-179.8	-72.6	-29.5	0	0	0	113.4	N172 E174 K179	N172-D176 PolarHBondContact O-N 3.03Å; E174-D176 PolarHBondContact O-N 3.29Å; D176-K179 PolarHBondContact O-N 2.95Å
177	L	55.6	Low	56.4	Low	132 Å²	132	116 Å²	116	69%	0.691	61%	0.609	S	S	*	*	H	α-helix	trans	-71	-42.2	170.7	-87.7	144.3	0	0	0	111.5	E174 K179 S180	E174-L177 PolarHBondContact O-N 2.73Å; L177-K179 PolarHBondContact O-N 3.08Å; L177-S180 PolarHBondContact O-N 3.3Å; L177-S180 PolarHBondContact O-OG 2.98Å; L177-S180 VanDerWaalsContact O-OG 3.12Å
178	Y	53	Low	58.4	Low	158 Å²	158	119 Å²	119	62%	0.62	60%	0.602	S	S	*	*	H	α-helix	trans	-65.6	-24.3	174.4	-69.3	-72.2	0	0	0	113.2	E174 S180 A181	E174-Y178 WeakPolarHBondContact O-CD2 3.41Å; E174-Y178 PolarHBondContact O-N 3.3Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 3.31Å; Y178-A181 PolarHBondContact O-N 3.21Å
179	K	51.2	Low	60.7	Low	170 Å²	170	113.2 Å²	113.2	74%	0.739	58%	0.58	S	S	*	*	H	α-helix	trans	-72.7	-22	-179.6	-163.1	173.3	-178.7	-177.3	0	113.7	R175 D176 L177	R175-K179 PolarHBondContact O-N 2.86Å; R175-K179 VanDerWaalsContact O-N 3.12Å; D176-K179 PolarHBondContact O-N 2.95Å; L177-K179 PolarHBondContact O-N 3.08Å
180	S	59	Low	62.9	Low	108 Å²	108	112.8 Å²	112.8	76%	0.755	57%	0.57	S	S	*	*	H	α-helix	trans	-82.3	-21.1	178.2	76.8	0	0	0	0	113.5	L177 Y178	L177-S180 PolarHBondContact O-N 3.3Å; L177-S180 PolarHBondContact O-OG 2.98Å; L177-S180 VanDerWaalsContact O-OG 3.12Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 3.31Å
181	A	62.2	Low	65.1	Low	34 Å²	34	110.7 Å²	110.7	28%	0.281	56%	0.557	S	S	.	*	S	Bend	trans	-91	129.5	178.1	0	0	0	0	0	110.2	Y178 L183 V186	Y178-A181 PolarHBondContact O-N 3.21Å; A181-L183 PolarHBondContact O-N 2.98Å; A181-V186 HydrophobicContact CB-CG2 3.71Å
182	N	74.1	Confident	67.1	Low	93 Å²	93	112.5 Å²	112.5	50%	0.497	56%	0.562	S	S	.	*			trans	-61.4	131.5	172.8	-167.5	-26.8	0	0	0	108.8	F184 Q185 V186	N182-F184 PolarHBondContact O-N 2.83Å; N182-Q185 HydrophobicContact CB-CG 4.14Å; N182-Q185 WeakPolarHBondContact O-CA 3.33Å; N182-Q185 VanDerWaalsContact O-CB 3.32Å; N182-Q185 WeakPolarHBondContact O-CB 3.3Å; N182-Q185 PolarHBondContact O-N 3.5Å; N182-V186 PolarHBondContact O-N 3.07Å
183	L	75.2	Confident	69.1	Low	112 Å²	112	112.6 Å²	112.6	59%	0.586	56%	0.562	S	S	*	*	H	α-helix	trans	-52.4	-33.9	-175.3	-176.5	63.2	0	0	0	112.8	A181 Q185 V186 Q187	A181-L183 PolarHBondContact O-N 2.98Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 3.05Å; L183-V186 PolarHBondContact O-N 3.19Å; L183-Q187 HydrophobicContact CD1-CG 4.29Å; L183-Q187 HydrophobicContact CG-CG 4.43Å; L183-Q187 WeakPolarHBondContact O-CG 3.34Å; L183-Q187 PolarHBondContact O-N 3.47Å
184	F	74.7	Confident	70.8	Confident	161 Å²	161	109.7 Å²	109.7	71%	0.706	55%	0.549	S	S	*	.	H	α-helix	trans	-64.8	-30.7	174.9	-74.7	-80.7	0	0	0	114	N182 R188	N182-F184 PolarHBondContact O-N 2.83Å; F184-R188 VanDerWaalsContact O-CB 3.27Å; F184-R188 WeakPolarHBondContact O-CB 3.47Å; F184-R188 PolarHBondContact O-N 2.76Å
185	Q	79.4	Confident	72.6	Confident	123 Å²	123	106.2 Å²	106.2	58%	0.575	54%	0.535	S	S	*	.	H	α-helix	trans	-72.2	-43.2	175.8	-66.2	176.7	16.2	0	0	110.5	N182 L183 T189	N182-Q185 HydrophobicContact CB-CG 4.14Å; N182-Q185 WeakPolarHBondContact O-CA 3.33Å; N182-Q185 VanDerWaalsContact O-CB 3.32Å; N182-Q185 WeakPolarHBondContact O-CB 3.3Å; N182-Q185 PolarHBondContact O-N 3.5Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 3.05Å; Q185-T189 WeakPolarHBondContact O-CB 3.43Å; Q185-T189 PolarHBondContact O-N 2.96Å; Q185-T189 VanDerWaalsContact O-N 3.16Å; Q185-T189 PolarHBondContact O-OG1 3.43Å
186	V	74.3	Confident	74.5	Confident	41 Å²	41	107.5 Å²	107.5	25%	0.248	54%	0.54	C	S	.	.	H	α-helix	trans	-64.9	-55.4	-179.8	-178.2	0	0	0	0	110.5	A181 N182 L183 R188 T189 D190	A181-V186 HydrophobicContact CB-CG2 3.71Å; N182-V186 PolarHBondContact O-N 3.07Å; L183-V186 PolarHBondContact O-N 3.19Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.44Å; V186-T189 WeakPolarHBondContact O-CB 3.15Å; V186-T189 PolarHBondContact O-N 3.29Å; V186-D190 PolarHBondContact O-N 3.5Å
187	Q	79.5	Confident	76.1	Confident	106 Å²	106	109.3 Å²	109.3	50%	0.495	55%	0.547	S	S	.	.	H	α-helix	trans	-59.6	-40.5	-177.8	-70.8	-179.9	-16.8	0	0	112.9	L183 T189 D190 T191	L183-Q187 HydrophobicContact CD1-CG 4.29Å; L183-Q187 HydrophobicContact CG-CG 4.43Å; L183-Q187 WeakPolarHBondContact O-CG 3.34Å; L183-Q187 PolarHBondContact O-N 3.47Å; Q187-T189 VanDerWaalsContact C-N 3.31Å; Q187-T189 PolarHBondContact O-N 3.42Å; Q187-D190 PolarHBondContact O-N 3.21Å; Q187-T191 WeakPolarHBondContact O-CG2 3.21Å; Q187-T191 PolarHBondContact O-N 2.77Å; Q187-T191 PolarHBondContact O-OG1 3.47Å
188	R	80.2	Confident	77.5	Confident	182 Å²	182	109.3 Å²	109.3	69%	0.687	55%	0.548	S	S	*	.	H	α-helix	trans	-64.5	-39.2	177.1	-174.5	176.5	179.4	121.6	-0.5	111.4	F184 V186 T191 L192	F184-R188 VanDerWaalsContact O-CB 3.27Å; F184-R188 WeakPolarHBondContact O-CB 3.47Å; F184-R188 PolarHBondContact O-N 2.76Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.44Å; R188-T191 WeakPolarHBondContact CA-OG1 3.35Å; R188-T191 PolarHBondContact O-N 2.87Å; R188-T191 PolarHBondContact O-OG1 2.87Å; R188-L192 HydrophobicContact CG-CD1 4.42Å; R188-L192 WeakPolarHBondContact O-CG 3.39Å; R188-L192 PolarHBondContact O-N 2.89Å; R188-L192 VanDerWaalsContact O-N 3.13Å
189	T	85	Confident	79	Confident	76 Å²	76	109.5 Å²	109.5	47%	0.466	55%	0.547	S	S	.	.	H	α-helix	trans	-67.5	-42.7	179.6	-51.1	0	0	0	0	110.5	Q185 V186 Q187 T191 L192 L193	Q185-T189 WeakPolarHBondContact O-CB 3.43Å; Q185-T189 PolarHBondContact O-N 2.96Å; Q185-T189 VanDerWaalsContact O-N 3.16Å; Q185-T189 PolarHBondContact O-OG1 3.43Å; V186-T189 WeakPolarHBondContact O-CB 3.15Å; V186-T189 PolarHBondContact O-N 3.29Å; Q187-T189 VanDerWaalsContact C-N 3.31Å; Q187-T189 PolarHBondContact O-N 3.42Å; T189-T191 VanDerWaalsContact C-N 3.35Å; T189-T191 PolarHBondContact O-N 3.47Å; T189-L192 PolarHBondContact O-N 3.26Å; T189-L193 HydrophobicContact CG2-CD1 4.21Å; T189-L193 WeakPolarHBondContact O-CG 3.39Å; T189-L193 PolarHBondContact O-N 3.46Å
190	D	85.6	Confident	80.4	Confident	87 Å²	87	108.2 Å²	108.2	47%	0.465	54%	0.542	S	S	.	.	H	α-helix	trans	-62.2	-41.1	176.6	-65.1	-29.2	0	0	0	112	V186 Q187 L192 L193 A194	V186-D190 PolarHBondContact O-N 3.5Å; Q187-D190 PolarHBondContact O-N 3.21Å; D190-L192 VanDerWaalsContact C-N 3.32Å; D190-L192 PolarHBondContact O-N 2.85Å; D190-L193 PolarHBondContact O-N 3.3Å; D190-A194 WeakPolarHBondContact O-CB 3.26Å; D190-A194 PolarHBondContact O-N 2.86Å
191	T	86.8	Confident	81.3	Confident	90 Å²	90	107.8 Å²	107.8	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-63.6	-37.9	175.8	57.3	0	0	0	0	112.7	Q187 R188 T189 D195	Q187-T191 WeakPolarHBondContact O-CG2 3.21Å; Q187-T191 PolarHBondContact O-N 2.77Å; Q187-T191 PolarHBondContact O-OG1 3.47Å; R188-T191 WeakPolarHBondContact CA-OG1 3.35Å; R188-T191 PolarHBondContact O-N 2.87Å; R188-T191 PolarHBondContact O-OG1 2.87Å; T189-T191 VanDerWaalsContact C-N 3.35Å; T189-T191 PolarHBondContact O-N 3.47Å; T191-D195 PolarHBondContact O-N 3.46Å
192	L	86.4	Confident	82	Confident	96 Å²	96	112.3 Å²	112.3	50%	0.503	56%	0.56	S	S	.	*	H	α-helix	trans	-71.1	-40.7	176.9	-71.2	173.1	0	0	0	111.5	R188 T189 D190 A194 D195 W196	R188-L192 HydrophobicContact CG-CD1 4.42Å; R188-L192 WeakPolarHBondContact O-CG 3.39Å; R188-L192 PolarHBondContact O-N 2.89Å; R188-L192 VanDerWaalsContact O-N 3.13Å; T189-L192 PolarHBondContact O-N 3.26Å; D190-L192 VanDerWaalsContact C-N 3.32Å; D190-L192 PolarHBondContact O-N 2.85Å; L192-A194 VanDerWaalsContact C-N 3.35Å; L192-D195 PolarHBondContact O-N 2.9Å; L192-W196 WeakPolarHBondContact O-CB 3.39Å; L192-W196 PolarHBondContact O-N 3.05Å
193	L	86.9	Confident	81.8	Confident	95 Å²	95	111.8 Å²	111.8	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-63	-41.5	175.2	-77	171.5	0	0	0	111.4	T189 D190 W196 M197	T189-L193 HydrophobicContact CG2-CD1 4.21Å; T189-L193 WeakPolarHBondContact O-CG 3.39Å; T189-L193 PolarHBondContact O-N 3.46Å; D190-L193 PolarHBondContact O-N 3.3Å; L193-W196 WeakPolarHBondContact O-CB 3.35Å; L193-W196 PolarHBondContact O-N 3.37Å; L193-M197 WeakPolarHBondContact O-CB 3.39Å; L193-M197 WeakPolarHBondContact O-CG 3.44Å; L193-M197 PolarHBondContact O-N 3.39Å
194	A	86.4	Confident	81.4	Confident	48 Å²	48	109.9 Å²	109.9	40%	0.397	56%	0.558	S	S	.	*	H	α-helix	trans	-63.3	-44.1	174.3	0	0	0	0	0	112	D190 L192 W196 M197 N198	D190-A194 WeakPolarHBondContact O-CB 3.26Å; D190-A194 PolarHBondContact O-N 2.86Å; L192-A194 VanDerWaalsContact C-N 3.35Å; A194-W196 VanDerWaalsContact C-N 3.3Å; A194-W196 PolarHBondContact O-N 2.88Å; A194-M197 PolarHBondContact O-N 3.36Å; A194-N198 WeakPolarHBondContact O-CB 3.47Å; A194-N198 VanDerWaalsContact O-CG 3.25Å; A194-N198 PolarHBondContact O-N 2.86Å; A194-N198 PolarHBondContact O-ND2 3.41Å; A194-N198 VanDerWaalsContact O-ND2 3.13Å
195	D	88.4	Confident	80.8	Confident	69 Å²	69	105.9 Å²	105.9	37%	0.369	56%	0.555	S	S	.	*	H	α-helix	trans	-62.5	-39.1	174.7	-167.1	45.6	0	0	0	111.3	T191 L192 N198 R199	T191-D195 PolarHBondContact O-N 3.46Å; L192-D195 PolarHBondContact O-N 2.9Å; D195-N198 PolarHBondContact O-N 3.38Å; D195-R199 VanDerWaalsContact O-CG 3.25Å; D195-R199 WeakPolarHBondContact O-CG 3.33Å; D195-R199 PolarHBondContact O-N 2.77Å; D195-R199 IonicContact OD1-NE 2.74Å; D195-R199 IonicContact OD1-NH2 3.77Å; D195-R199 IonicContact OD2-CZ 3.05Å; D195-R199 IonicContact OD2-NE 3.29Å; D195-R199 PolarHBondContact OD2-NE 3.14Å; D195-R199 IonicContact OD2-NH2 3.77Å; D195-R199 PolarHBondContact OD2-NH2 2.73Å
196	W	86.9	Confident	79.9	Confident	175 Å²	175	103 Å²	103	66%	0.663	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-47.7	175.1	-107.6	52.4	0	0	0	113.2	L192 L193 A194 N198 R199 F200	L192-W196 WeakPolarHBondContact O-CB 3.39Å; L192-W196 PolarHBondContact O-N 3.05Å; L193-W196 WeakPolarHBondContact O-CB 3.35Å; L193-W196 PolarHBondContact O-N 3.37Å; A194-W196 VanDerWaalsContact C-N 3.3Å; A194-W196 PolarHBondContact O-N 2.88Å; W196-N198 PolarHBondContact O-N 3.04Å; W196-R199 PolarHBondContact O-N 3.46Å; W196-R199 VanDerWaalsContact O-N 3.14Å; W196-F200 PolarHBondContact O-N 2.7Å
197	M	86.6	Confident	79.1	Confident	140 Å²	140	106.8 Å²	106.8	69%	0.69	56%	0.561	S	S	*	*	H	α-helix	trans	-61.8	-34.5	177.7	-75.9	-177.9	79.1	0	0	111.7	L193 A194 F200	L193-M197 WeakPolarHBondContact O-CB 3.39Å; L193-M197 WeakPolarHBondContact O-CG 3.44Å; L193-M197 PolarHBondContact O-N 3.39Å; A194-M197 PolarHBondContact O-N 3.36Å; M197-F200 CarbonylContact O-C 3.49Å
198	N	85	Confident	78	Confident	132 Å²	132	107.1 Å²	107.1	71%	0.706	57%	0.565	S	S	*	*	H	α-helix	trans	-72.3	-34.6	175.4	-72.4	-29.8	0	0	0	112.7	A194 D195 W196	A194-N198 WeakPolarHBondContact O-CB 3.47Å; A194-N198 VanDerWaalsContact O-CG 3.25Å; A194-N198 PolarHBondContact O-N 2.86Å; A194-N198 PolarHBondContact O-ND2 3.41Å; A194-N198 VanDerWaalsContact O-ND2 3.13Å; D195-N198 PolarHBondContact O-N 3.38Å; W196-N198 PolarHBondContact O-N 3.04Å
199	R	85.1	Confident	76.9	Confident	162 Å²	162	104.7 Å²	104.7	61%	0.611	56%	0.562	S	S	*	*	H	α-helix	trans	-74	-34.2	177.3	-73.8	173.5	-168.8	-101	1.3	112.9	D195 W196 P201	D195-R199 VanDerWaalsContact O-CG 3.25Å; D195-R199 WeakPolarHBondContact O-CG 3.33Å; D195-R199 PolarHBondContact O-N 2.77Å; D195-R199 IonicContact OD1-NE 2.74Å; D195-R199 IonicContact OD1-NH2 3.77Å; D195-R199 IonicContact OD2-CZ 3.05Å; D195-R199 IonicContact OD2-NE 3.29Å; D195-R199 PolarHBondContact OD2-NE 3.14Å; D195-R199 IonicContact OD2-NH2 3.77Å; D195-R199 PolarHBondContact OD2-NH2 2.73Å; W196-R199 PolarHBondContact O-N 3.46Å; W196-R199 VanDerWaalsContact O-N 3.14Å; R199-P201 WeakPolarHBondContact O-CD 3.44Å
200	F	80.1	Confident	75.5	Confident	142 Å²	142	106.4 Å²	106.4	62%	0.623	57%	0.568	S	S	*	*	S	Bend	trans	-126.1	76.1	-177.2	-58.7	-74.6	0	0	0	110	W196 M197 V202	W196-F200 PolarHBondContact O-N 2.7Å; M197-F200 CarbonylContact O-C 3.49Å; F200-V202 PolarHBondContact O-N 3.46Å
201	P	79	Confident	74.2	Confident	99 Å²	99	108.1 Å²	108.1	64%	0.643	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-60.7	129.9	174.9	25.2	-32.3	0	0	0	109.2	R199	R199-P201 WeakPolarHBondContact O-CD 3.44Å
202	V	76	Confident	72.6	Confident	130 Å²	130	107.5 Å²	107.5	79%	0.788	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.4	131.5	171.9	-73.7	0	0	0	0	108.9	F200 S204	F200-V202 PolarHBondContact O-N 3.46Å; V202-S204 PolarHBondContact O-N 3.38Å
203	P	70.7	Confident	71.1	Confident	82 Å²	82	109.2 Å²	109.2	53%	0.532	59%	0.59	S	S	.	*	P	Polyproline II helix	trans	-56.7	117.9	176.2	-21.1	30.6	0	0	0	108.6	F207	P203-F207 HydrophobicContact CB-CB 4.2Å; P203-F207 HydrophobicContact CB-CD1 3.92Å; P203-F207 HydrophobicContact CB-CG 4.38Å
204	S	66.4	Low	69.2	Low	72 Å²	72	109 Å²	109	50%	0.503	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-54.9	145.2	172.4	51.6	0	0	0	0	109	V202 S206 F207	V202-S204 PolarHBondContact O-N 3.38Å; S204-S206 PolarHBondContact O-N 2.81Å; S204-S206 PolarHBondContact OG-OG 3.23Å; S204-F207 WeakPolarHBondContact O-CB 3.49Å; S204-F207 PolarHBondContact O-N 2.89Å
205	A	62.1	Low	67	Low	77 Å²	77	110.3 Å²	110.3	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-50.9	-24.8	-179	0	0	0	0	0	113.6	I208 Q209	A205-I208 PolarHBondContact O-N 2.93Å; A205-Q209 PolarHBondContact O-N 3.43Å
206	S	60.1	Low	64.7	Low	62 Å²	62	115.3 Å²	115.3	43%	0.434	64%	0.636	S	S	.	*	H	α-helix	trans	-64.1	-31.2	171.7	51.8	0	0	0	0	115	S204 N210	S204-S206 PolarHBondContact O-N 2.81Å; S204-S206 PolarHBondContact OG-OG 3.23Å; S206-N210 WeakPolarHBondContact O-CB 3.41Å; S206-N210 VanDerWaalsContact O-CG 3.26Å; S206-N210 PolarHBondContact O-N 2.64Å; S206-N210 PolarHBondContact O-ND2 3.25Å
207	F	57.6	Low	62.2	Low	121 Å²	121	113.1 Å²	113.1	53%	0.531	64%	0.642	S	S	.	*	H	α-helix	trans	-71.3	-37.5	175.2	-174.6	-99.4	0	0	0	111.2	P203 S204 N210 L211	P203-F207 HydrophobicContact CB-CB 4.2Å; P203-F207 HydrophobicContact CB-CD1 3.92Å; P203-F207 HydrophobicContact CB-CG 4.38Å; S204-F207 WeakPolarHBondContact O-CB 3.49Å; S204-F207 PolarHBondContact O-N 2.89Å; F207-N210 PolarHBondContact O-N 3.1Å; F207-L211 PolarHBondContact O-N 3.47Å; F207-L211 VanDerWaalsContact O-N 3.14Å
208	I	56.2	Low	59.9	Low	112 Å²	112	111.6 Å²	111.6	57%	0.574	65%	0.645	S	S	*	*	H	α-helix	trans	-69.6	-40.2	176.4	-58.4	178.8	0	0	0	110.5	A205 L211 A212	A205-I208 PolarHBondContact O-N 2.93Å; I208-L211 PolarHBondContact O-N 3.21Å; I208-A212 PolarHBondContact O-N 3.37Å
209	Q	57.2	Low	57.6	Low	131 Å²	131	110.4 Å²	110.4	61%	0.612	65%	0.647	S	S	*	*	H	α-helix	trans	-67.1	-34.9	174.9	-103.2	176.3	-29.2	0	0	113.4	A205 A212 N213	A205-Q209 PolarHBondContact O-N 3.43Å; Q209-A212 PolarHBondContact O-N 3.1Å; Q209-N213 WeakPolarHBondContact O-CB 3.27Å; Q209-N213 PolarHBondContact O-N 3.1Å
210	N	56.2	Low	55.1	Low	112 Å²	112	109.3 Å²	109.3	60%	0.599	66%	0.658	S	S	*	*	H	α-helix	trans	-75.1	-27.7	178.5	-74.6	-15.9	0	0	0	113.2	S206 F207 S214	S206-N210 WeakPolarHBondContact O-CB 3.41Å; S206-N210 VanDerWaalsContact O-CG 3.26Å; S206-N210 PolarHBondContact O-N 2.64Å; S206-N210 PolarHBondContact O-ND2 3.25Å; F207-N210 PolarHBondContact O-N 3.1Å; N210-S214 PolarHBondContact O-OG 2.92Å
211	L	57.2	Low	53.1	Low	124 Å²	124	107.3 Å²	107.3	65%	0.649	67%	0.667	S	S	*	*	H	α-helix	trans	-75.9	-27.2	172.8	-145.1	74.7	0	0	0	112.5	F207 I208	F207-L211 PolarHBondContact O-N 3.47Å; F207-L211 VanDerWaalsContact O-N 3.14Å; I208-L211 PolarHBondContact O-N 3.21Å
212	A	54.7	Low	50.7	Low	76 Å²	76	108.2 Å²	108.2	63%	0.628	67%	0.671	S	S	*	*	H	α-helix	trans	-77.4	-24	174.3	0	0	0	0	0	113.4	I208 Q209	I208-A212 PolarHBondContact O-N 3.37Å; Q209-A212 PolarHBondContact O-N 3.1Å
213	N	53.2	Low	48.8	Very low	133 Å²	133	108.8 Å²	108.8	71%	0.711	68%	0.675	S	S	*	*	H	α-helix	trans	-99.5	-3.9	-174.7	-76.4	-10.4	0	0	0	115.2	Q209	Q209-N213 WeakPolarHBondContact O-CB 3.27Å; Q209-N213 PolarHBondContact O-N 3.1Å
214	S	48.3	Very low	47	Very low	91 Å²	91	110.4 Å²	110.4	64%	0.636	68%	0.683	S	S	*	*			trans	-98.8	18	179.9	62.5	0	0	0	0	114.8	N210	N210-S214 PolarHBondContact O-OG 2.92Å
215	G	40.2	Very low	45.5	Very low	74 Å²	74	112.4 Å²	112.4	76%	0.763	70%	0.697	S	S	*	*			trans	-89.5	10.1	-176.3	0	0	0	0	0	116.8
216	Q	38.8	Very low	44.2	Very low	174 Å²	174	113.1 Å²	113.1	81%	0.813	70%	0.704	S	S	*	*			trans	-112.8	129.9	178.6	-73	-174.7	21.9	0	0	112.1
217	T	34.5	Very low	42.9	Very low	130 Å²	130	117.1 Å²	117.1	80%	0.798	73%	0.725	S	S	*	*			trans	90.5	100.1	166.6	77.5	0	0	0	0	117
218	S	38.8	Very low	41.9	Very low	107 Å²	107	119.2 Å²	119.2	75%	0.748	74%	0.742	S	S	*	*				141.2	118.7	115	-61.1	0	0	0	0	114.4
219	S	37.8	Very low	40.7	Very low	108 Å²	108	118.2 Å²	118.2	76%	0.755	75%	0.75	S	S	*	*			trans	63	96.8	150	60.1	0	0	0	0	121.3
220	V	32.4	Very low	39.5	Very low	139 Å²	139	118.2 Å²	118.2	84%	0.842	77%	0.765	S	S	*	*				40.4	109.8	121.6	-172	0	0	0	0	118.4
221	A	37	Very low	38.4	Very low	99 Å²	99	116 Å²	116	82%	0.818	77%	0.768	S	S	*	*				-163.1	114.3	127.9	0	0	0	0	0	110.8
222	T	29.5	Very low	37.2	Very low	118 Å²	118	117.1 Å²	117.1	72%	0.724	78%	0.78	S	S	*	*			trans	-64.5	127.3	176.7	-55.1	0	0	0	0	112.6
223	V	36.9	Very low	36.3	Very low	142 Å²	142	119.3 Å²	119.3	86%	0.861	79%	0.785	S	S	*	*			trans	-140.1	111.4	143.8	-175.4	0	0	0	0	109.1
224	T	31.5	Very low	35.3	Very low	116 Å²	116	118.1 Å²	118.1	71%	0.712	79%	0.787	S	S	*	*			trans	-81.8	130.8	179.6	-37.1	0	0	0	0	110.2
225	S	36	Very low	34.7	Very low	114 Å²	114	121.8 Å²	121.8	80%	0.797	80%	0.799	S	S	*	*			trans	-152.7	118.5	147.8	-29.8	0	0	0	0	109.7
226	A	33.8	Very low	34.3	Very low	93 Å²	93	124.7 Å²	124.7	77%	0.769	80%	0.802	S	S	*	*			trans	-75.3	141.8	-175.1	0	0	0	0	0	112.4
227	V	34	Very low	33.9	Very low	146 Å²	146	122.1 Å²	122.1	89%	0.885	80%	0.803	S	S	*	*			trans	-107.8	112.2	161.7	-74.6	0	0	0	0	108.3
228	N	36	Very low	33.8	Very low	164 Å²	164	120.8 Å²	120.8	88%	0.877	81%	0.806	S	S	*	*			trans	-90.5	136.2	168	-97.8	-7	0	0	0	109.8
229	A	30.8	Very low	33.4	Very low	92 Å²	92	124.8 Å²	124.8	76%	0.76	81%	0.812	S	S	*	*			trans	-67.5	147	177.8	0	0	0	0	0	113
230	S	31.3	Very low	33.1	Very low	130 Å²	130	126.5 Å²	126.5	91%	0.909	82%	0.819	S	S	*	*			trans	133.6	119.3	148.4	-64.5	0	0	0	0	111.3
231	G	34.1	Very low	32.9	Very low	65 Å²	65	124.2 Å²	124.2	67%	0.67	81%	0.814	S	S	*	*			trans	167.2	73.5	173.7	0	0	0	0	0	113.7	V233	G231-V233 PolarHBondContact O-N 3.48Å
232	V	31.8	Very low	32.8	Very low	149 Å²	149	125 Å²	125	90%	0.903	81%	0.814	S	S	*	*			trans	-40.9	128.6	159.5	-92.1	0	0	0	0	111.8
233	V	36.6	Very low	32.9	Very low	122 Å²	122	125.3 Å²	125.3	74%	0.739	82%	0.821	S	S	*	*			trans	-117.6	107.8	171.1	-173.1	0	0	0	0	109.3	G231 L235	G231-V233 PolarHBondContact O-N 3.48Å; V233-L235 HydrophobicContact CG1-CD1 4.38Å
234	S	31.9	Very low	32.5	Very low	108 Å²	108	126 Å²	126	76%	0.755	82%	0.818	S	S	*	*			trans	-83.2	123.5	164	-57.6	0	0	0	0	108.6
235	L	34.2	Very low	32.6	Very low	167 Å²	167	130.5 Å²	130.5	87%	0.874	83%	0.827	S	S	*	*			trans	-93.7	109.6	170	-75.4	106.2	0	0	0	110	V233	V233-L235 HydrophobicContact CG1-CD1 4.38Å
236	T	32.7	Very low	32.2	Very low	135 Å²	135	133.5 Å²	133.5	83%	0.828	83%	0.829	S	S	*	*			trans	-98	132.4	162.9	40.7	0	0	0	0	109.9
237	S	29.7	Very low	32.1	Very low	121 Å²	121	138 Å²	138	85%	0.846	83%	0.834	S	S	*	*			trans	-70.2	134	174.4	50.2	0	0	0	0	112
238	A	33.1	Very low	31.8	Very low	102 Å²	102	137.7 Å²	137.7	84%	0.843	83%	0.827	S	S	*	*			trans	-142.3	118.3	158	0	0	0	0	0	110.5
239	Q	29.9	Very low	31.7	Very low	190 Å²	190	138 Å²	138	89%	0.888	83%	0.828	S	S	*	*			trans	-69.4	135.4	169.3	-62	167	5.7	0	0	109.1
240	T	32.2	Very low	31.8	Very low	145 Å²	145	142.3 Å²	142.3	89%	0.89	83%	0.833	S	S	*	*			trans	-156.2	131.4	140.6	-40	0	0	0	0	110.3
241	A	28.1	Very low	31.6	Very low	90 Å²	90	143.8 Å²	143.8	74%	0.744	83%	0.829	S	S	*	*			trans	-71.3	153.4	179.2	0	0	0	0	0	113.2
242	S	34.4	Very low	31.4	Very low	117 Å²	117	147 Å²	147	82%	0.818	83%	0.831	S	S	*	*				179.1	138.2	127.9	42.5	0	0	0	0	113.7
243	S	32.4	Very low	31.2	Very low	124 Å²	124	145.4 Å²	145.4	87%	0.867	83%	0.825	S	S	*	*			trans	67.3	111.2	149	-76.8	0	0	0	0	123
244	I	28.5	Very low	31	Very low	156 Å²	156	146.5 Å²	146.5	80%	0.8	83%	0.826	S	S	*	*			trans	-55.3	138	160.4	-61.5	158.2	0	0	0	111.8
245	K	32.7	Very low	31.1	Very low	210 Å²	210	147 Å²	147	91%	0.913	83%	0.83	S	S	*	*			trans	-151.5	126.7	139.2	-132.4	172	-176.7	-179.7	0	110.9
246	E	27.2	Very low	31	Very low	177 Å²	177	144.9 Å²	144.9	83%	0.827	83%	0.826	S	S	*	*			trans	-65.2	140.6	-177.5	-63	162.4	135.8	0	0	112
247	E	31.7	Very low	31.1	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	83%	0.826	S	S	*	*			trans	-150.9	120.2	144.2	-129.5	-179.2	162.8	0	0	112.2
248	N	29.1	Very low	31.4	Very low	139 Å²	139	147.2 Å²	147.2	74%	0.743	83%	0.828	S	S	*	*			trans	-12.9	125.8	161.3	-90.2	-58.6	0	0	0	117.9
249	L	33.2	Very low	31.3	Very low	172 Å²	172	150 Å²	150	90%	0.901	83%	0.828	S	S	*	*			trans	-133.6	110.6	144.1	-79.7	174	0	0	0	110.3
250	Q	32.6	Very low	31.7	Very low	181 Å²	181	146.8 Å²	146.8	85%	0.846	82%	0.824	S	S	*	*			trans	-63.1	136.2	175.2	-73.7	171.8	-19.8	0	0	111.3
251	I	27.5	Very low	31.9	Very low	161 Å²	161	145.8 Å²	145.8	83%	0.826	82%	0.818	S	S	*	*			trans	-73.7	126.6	171.3	-63	161	0	0	0	108.2
252	N	30	Very low	32.2	Very low	133 Å²	133	153.1 Å²	153.1	71%	0.711	83%	0.826	S	S	*	*			trans	-139.7	101.3	161.8	-169.3	21.5	0	0	0	109.8
253	C	26.8	Very low	32.3	Very low	115 Å²	115	155 Å²	155	78%	0.777	83%	0.826	S	S	*	*			trans	-119.1	86.7	171.4	-48.3	0	0	0	0	107.8
254	N	32.3	Very low	32.9	Very low	145 Å²	145	155 Å²	155	78%	0.775	82%	0.823	S	S	*	*			trans	-117.8	110.4	168.8	-81.9	-18.8	0	0	0	108.8
255	S	34.3	Very low	33.3	Very low	118 Å²	118	154.3 Å²	154.3	83%	0.825	83%	0.826	S	S	*	*				160	139.1	120.8	-154.3	0	0	0	0	110.9
256	P	32.6	Very low	33.9	Very low	123 Å²	123	152.3 Å²	152.3	80%	0.799	83%	0.825	S	S	*	*			trans	-95.5	146.1	-163.5	36.6	-30.5	0	0	0	112.5
257	A	34.8	Very low	34.5	Very low	101 Å²	101	149.7 Å²	149.7	84%	0.835	82%	0.823	S	S	*	*			trans	-139.5	99.5	169.1	0	0	0	0	0	112.3
258	K	35.6	Very low	34.9	Very low	205 Å²	205	144.3 Å²	144.3	89%	0.891	82%	0.818	S	S	*	*			trans	42.4	106.7	144.2	-76.9	174.1	173.8	176.6	0	119.4
259	L	31.9	Very low	35.6	Very low	161 Å²	161	144.9 Å²	144.9	84%	0.843	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-70.3	136.6	151.9	-122.4	88.7	0	0	0	110.4
260	P	38.4	Very low	35.7	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-94.2	117.2	159.1	30.9	-22.3	0	0	0	110.6
261	T	35.2	Very low	36	Very low	125 Å²	125	139.2 Å²	139.2	77%	0.767	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-72.5	122.1	165.4	-51.9	0	0	0	0	109.6
262	R	35	Very low	37.1	Very low	244 Å²	244	138.5 Å²	138.5	92%	0.921	82%	0.819	S	S	*	*			trans	-168	111.7	150	-108.4	172.6	-166.3	-104.8	3.3	111
263	L	37.2	Very low	37.6	Very low	157 Å²	157	137.6 Å²	137.6	82%	0.822	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.5	145.6	158.8	-89.1	95.4	0	0	0	109.5
264	P	43.3	Very low	38.6	Very low	124 Å²	124	135.6 Å²	135.6	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.7	127.4	171.2	32.7	-27.3	0	0	0	110.8
265	T	37.4	Very low	39.4	Very low	140 Å²	140	135 Å²	135	86%	0.859	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-87.3	126.7	170.6	-8.4	0	0	0	0	109.7
266	L	45.6	Very low	39.6	Very low	169 Å²	169	134.8 Å²	134.8	89%	0.885	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-80.9	136.1	168.9	-96.6	142.2	0	0	0	110.4
267	P	40.5	Very low	40.6	Very low	122 Å²	122	134.9 Å²	134.9	79%	0.792	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-99	142.8	171.3	34.6	-27.1	0	0	0	112.4
268	G	38.8	Very low	40.7	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	82%	0.818	S	S	*	*			trans	106.1	82.6	145.8	0	0	0	0	0	117.6
269	V	43.4	Very low	41	Very low	150 Å²	150	131.6 Å²	131.6	91%	0.909	81%	0.813	S	S	*	*			trans	-128.9	133.8	146.7	175.1	0	0	0	0	108.5
270	S	37.3	Very low	41.7	Very low	119 Å²	119	128.5 Å²	128.5	83%	0.832	81%	0.805	S	S	*	*			trans	-65.4	145.9	-166.6	-169.6	0	0	0	0	114.6
271	V	38.5	Very low	42	Very low	116 Å²	116	129 Å²	129	70%	0.703	81%	0.806	S	S	*	*			trans	-74.2	142	178.3	172.2	0	0	0	0	112	P273	V271-P273 HydrophobicContact CG1-CG 4.16Å
272	V	48.9	Very low	42.2	Very low	145 Å²	145	131.5 Å²	131.5	88%	0.879	81%	0.809	S	S	*	*			trans	-142.6	123.4	146.4	179.8	0	0	0	0	108.1
273	P	41.6	Very low	42.7	Very low	114 Å²	114	125.2 Å²	125.2	74%	0.74	80%	0.8	S	S	*	*			trans	-111.3	154.5	-179.2	32.7	-17.5	0	0	0	113.7	V271	V271-P273 HydrophobicContact CG1-CG 4.16Å
274	G	47.3	Very low	43.1	Very low	73 Å²	73	122.1 Å²	122.1	75%	0.753	79%	0.791	S	S	*	*			trans	-165.4	153.5	170.4	0	0	0	0	0	112.2
275	P	49.6	Very low	43.5	Very low	132 Å²	132	124 Å²	124	86%	0.857	79%	0.794	S	S	*	*				-108.9	166.3	-124.9	37.6	-31.6	0	0	0	116.3
276	S	38.6	Very low	44	Very low	115 Å²	115	122.6 Å²	122.6	80%	0.804	79%	0.787	S	S	*	*			trans	-74.6	163.7	176.2	35.4	0	0	0	0	114.6
277	P	53.1	Low	44.4	Very low	124 Å²	124	121 Å²	121	81%	0.805	78%	0.784	S	S	*	*			trans	-135.4	144.4	134.9	32.1	-16.9	0	0	0	114.5
278	S	37.6	Very low	45	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	79%	0.785	S	S	*	*			trans	-59.8	162.2	165.9	44.4	0	0	0	0	113.6
279	T	42.7	Very low	45.5	Very low	130 Å²	130	129.1 Å²	129.1	80%	0.798	79%	0.787	S	S	*	*				166	128.2	122.1	-68.6	0	0	0	0	113.4
280	S	45.4	Very low	46	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	78%	0.782	S	S	*	*			trans	61.8	113.9	141.1	-161.1	0	0	0	0	121.6
281	T	44.4	Very low	46.7	Very low	132 Å²	132	131.1 Å²	131.1	81%	0.81	78%	0.782	S	S	*	*				75.8	116.4	86.5	-35.9	0	0	0	0	115.2
282	Q	40.4	Very low	47.5	Very low	178 Å²	178	137 Å²	137	83%	0.832	79%	0.791	S	S	*	*			trans	-47.8	168.7	161.8	-103.1	-173.2	-16.7	0	0	113.9
283	P	44.4	Very low	47.9	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	81%	0.81	S	S	*	*			cis	-154.5	174.6	44.8	38.5	-14.2	0	0	0	119.2
284	S	47.3	Very low	48.2	Very low	92 Å²	92	141.5 Å²	141.5	64%	0.643	81%	0.814	S	S	*	*			trans	49.1	121.8	142.6	64.4	0	0	0	0	122.5
285	L	50.8	Low	48.3	Very low	165 Å²	165	145.1 Å²	145.1	86%	0.864	82%	0.817	S	S	*	*				174.1	156.8	100.8	-86.9	174.5	0	0	0	111.5
286	P	48.3	Very low	48.2	Very low	110 Å²	110	145.8 Å²	145.8	71%	0.714	82%	0.815	S	S	*	*			trans	-109.6	-163	-158.7	42.5	-32.5	0	0	0	113.8
287	V	54	Low	48.8	Very low	134 Å²	134	147.6 Å²	147.6	81%	0.812	82%	0.815	S	S	*	*			trans	112.4	117.7	178.2	-179.4	0	0	0	0	108.7
288	D	51.8	Low	48.5	Very low	154 Å²	154	149.1 Å²	149.1	82%	0.824	82%	0.816	S	S	*	*				-158.8	157.1	56	-154.5	-4.6	0	0	0	113.1
289	R	50.7	Low	49.2	Very low	214 Å²	214	151.9 Å²	151.9	81%	0.808	82%	0.82	S	S	*	*			trans	-92.1	158.7	-175.3	-82.7	177.7	169.2	-174	-3.8	112.4
290	K	54	Low	49.7	Very low	186 Å²	186	153.4 Å²	153.4	81%	0.809	82%	0.822	S	S	*	*			trans	96	124.6	146.2	-86.7	165.5	176.2	177.1	0	119
291	P	51.5	Low	50	Low	126 Å²	126	157.8 Å²	157.8	82%	0.818	83%	0.834	S	S	*	*			trans	-88.7	161.5	153	36.8	-28.3	0	0	0	110.6
292	R	56	Low	50.5	Low	238 Å²	238	160 Å²	160	90%	0.898	84%	0.836	S	S	*	*			trans	-140.3	124.8	169.2	-133.9	-168.5	-164.4	167.4	4.3	109.6
293	V	57	Low	51.4	Low	212 Å²	212	158.4 Å²	158.4	100%	1.285	84%	0.836	S	S	*	*			trans	67.4	0	161.5	-162.3	0	0	0	0	116.7

Retrieved 293 of 293 residues in 535.2 ms (Link to these results)

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