A0A077ZAX6_TRITR Loading...

SET domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 198 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	36.8	Very low	47.3	Very low	244 Å²	244	117.2 Å²	117.2	100%	1.202	66%	0.658	S	S	*	*				0	94.6	0	-77.2	176.2	158.3	0	0	107.6
2	S	35.7	Very low	49.7	Very low	112 Å²	112	108.7 Å²	108.7	78%	0.783	61%	0.612	S	S	*	*			trans	-97.7	99.7	-179.2	-53.1	0	0	0	0	107.8	I4	S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 2.86Å
3	S	38.8	Very low	52	Low	105 Å²	105	110.3 Å²	110.3	73%	0.734	61%	0.609	S	S	*	*			trans	-71.5	90.4	172.8	48.7	0	0	0	0	108.9	G5	S3-G5 VanDerWaalsContact C-N 3.28Å; S3-G5 PolarHBondContact O-N 3.02Å
4	I	43.1	Very low	54	Low	155 Å²	155	104.5 Å²	104.5	80%	0.795	58%	0.579	S	S	*	*			trans	-74.6	89.1	168.9	-55.3	173.2	0	0	0	106.2	S2	S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 2.86Å
5	G	44.9	Very low	55.4	Low	19 Å²	19	101.9 Å²	101.9	20%	0.196	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-76.1	144.3	166.3	0	0	0	0	0	109.5	S3 S7	S3-G5 VanDerWaalsContact C-N 3.28Å; S3-G5 PolarHBondContact O-N 3.02Å; G5-S7 PolarHBondContact O-N 2.75Å; G5-S7 VanDerWaalsContact O-N 3.13Å
6	P	43.3	Very low	56.3	Low	44 Å²	44	101.1 Å²	101.1	29%	0.286	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-63.4	118.9	178.6	26.3	-32	0	0	0	109.4	C12 C28	P6-C12 HydrophobicContact CB-CB 4.25Å; P6-C12 HydrophobicContact CG-CB 4.3Å; P6-C28 HydrophobicContact CG-CB 4.09Å
7	S	46.3	Very low	56.7	Low	67 Å²	67	96.6 Å²	96.6	47%	0.469	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-73.4	168.9	158.8	61.5	0	0	0	0	108.2	G5 E9 T10	G5-S7 PolarHBondContact O-N 2.75Å; G5-S7 VanDerWaalsContact O-N 3.13Å; S7-E9 PolarHBondContact O-N 3.44Å; S7-T10 PolarHBondContact O-N 3.37Å; S7-T10 VanDerWaalsContact O-N 3.14Å; S7-T10 PolarHBondContact O-OG1 3.38Å
8	K	50.4	Low	56.6	Low	185 Å²	185	92.7 Å²	92.7	80%	0.804	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-9.5	173	-95.4	172.2	172	-177.5	0	114.7	I33	K8-I33 HydrophobicContact CD-CD1 3.89Å; K8-I33 HydrophobicContact CG-CD1 3.95Å
9	E	49.2	Very low	56.8	Low	179 Å²	179	98.7 Å²	98.7	84%	0.836	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-2	-174	-63.1	176.6	172.5	0	0	113.9	S7	S7-E9 PolarHBondContact O-N 3.44Å
10	T	60.1	Low	57.4	Low	73 Å²	73	94.8 Å²	94.8	45%	0.448	51%	0.514	S	S	.	.	S	Bend	trans	-115.5	131.6	173.2	11.9	0	0	0	0	110.6	S7 C12	S7-T10 PolarHBondContact O-N 3.37Å; S7-T10 VanDerWaalsContact O-N 3.14Å; S7-T10 PolarHBondContact O-OG1 3.38Å; T10-C12 PolarHBondContact O-N 2.86Å
11	P	71.7	Confident	58.4	Low	106 Å²	106	93.2 Å²	93.2	69%	0.688	50%	0.502	S	S	*	.			trans	-60.1	111.8	-179	21.2	-29.4	0	0	0	109.6	E16	P11-E16 VanDerWaalsContact CB-OE1 3.23Å; P11-E16 WeakPolarHBondContact CB-OE1 3.32Å
12	C	76.5	Confident	60.7	Low	15 Å²	15	81.6 Å²	81.6	10%	0.101	45%	0.445	C	S	.	.			trans	-93.6	120.6	177.9	177.8	0	0	0	0	108.4	P6 T10 C14 T15 E16	P6-C12 HydrophobicContact CB-CB 4.25Å; P6-C12 HydrophobicContact CG-CB 4.3Å; T10-C12 PolarHBondContact O-N 2.86Å; C12-C14 PolarHBondContact O-N 3.02Å; C12-C14 VanDerWaalsContact O-N 3.1Å; C12-T15 HydrophobicContact CB-CG2 4.23Å; C12-T15 WeakPolarHBondContact CB-OG1 3.35Å; C12-T15 PolarHBondContact O-N 3.49Å; C12-T15 PolarHBondContact O-OG1 3.06Å; C12-E16 PolarHBondContact O-N 3.25Å; C12-E16 VanDerWaalsContact O-N 3.16Å
13	F	79.1	Confident	62.9	Low	130 Å²	130	78 Å²	78	57%	0.57	42%	0.416	S	S	*	.	H	α-helix	trans	-51.1	-37.9	176.7	-174.8	-88.7	0	0	0	112.5	E16 S17 L129	F13-E16 PolarHBondContact O-N 2.9Å; F13-S17 WeakPolarHBondContact CE1-OG 3.06Å; F13-S17 PolarHBondContact O-N 3.26Å; F13-S17 VanDerWaalsContact O-N 3.08Å; F13-S17 PolarHBondContact O-OG 2.83Å; F13-L129 HydrophobicContact CD1-CD1 3.99Å; F13-L129 HydrophobicContact CD2-CD1 3.28Å; F13-L129 HydrophobicContact CD2-CD2 3.99Å; F13-L129 HydrophobicContact CD2-CG 4.16Å; F13-L129 HydrophobicContact CE1-CD1 3.94Å; F13-L129 HydrophobicContact CE2-CB 3.96Å; F13-L129 HydrophobicContact CE2-CD1 3.25Å; F13-L129 HydrophobicContact CE2-CD2 3.76Å; F13-L129 HydrophobicContact CE2-CG 3.81Å; F13-L129 HydrophobicContact CG-CD1 3.67Å; F13-L129 HydrophobicContact CZ-CB 4.06Å; F13-L129 HydrophobicContact CZ-CD1 3.59Å; F13-L129 HydrophobicContact CZ-CG 4.27Å; F13-L129 WeakPolarHBondContact O-CD1 3.13Å
14	C	80.3	Confident	65	Low	29 Å²	29	79.4 Å²	79.4	20%	0.196	41%	0.409	C	S	.	.	H	α-helix	trans	-64.6	-41	178.5	-55.3	0	0	0	0	112.5	C12 E16 S17 G20	C12-C14 PolarHBondContact O-N 3.02Å; C12-C14 VanDerWaalsContact O-N 3.1Å; C14-E16 VanDerWaalsContact C-N 3.3Å; C14-E16 PolarHBondContact O-N 3.11Å; C14-S17 PolarHBondContact O-N 2.84Å; C14-G20 CarbonylContact C-O 3.42Å; C14-G20 VanDerWaalsContact C-O 3.23Å; C14-G20 CarbonylContact O-C 3.48Å; C14-G20 WeakPolarHBondContact O-CA 3.19Å; C14-G20 PolarHBondContact O-N 3.41Å
15	T	75.2	Confident	66.9	Low	65 Å²	65	78.9 Å²	78.9	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-69.2	-31.5	177.7	50	0	0	0	0	112.5	C12 I34	C12-T15 HydrophobicContact CB-CG2 4.23Å; C12-T15 WeakPolarHBondContact CB-OG1 3.35Å; C12-T15 PolarHBondContact O-N 3.49Å; C12-T15 PolarHBondContact O-OG1 3.06Å; T15-I34 HydrophobicContact CG2-CB 4.24Å; T15-I34 HydrophobicContact CG2-CD1 3.56Å; T15-I34 HydrophobicContact CG2-CG1 3.71Å; T15-I34 HydrophobicContact CG2-CG2 3.47Å; T15-I34 VanDerWaalsContact CG2-CG2 3.47Å
16	E	69.6	Low	68.9	Low	89 Å²	89	79.6 Å²	79.6	42%	0.416	40%	0.399	S	S	.	.	H	α-helix	trans	-74.6	-32	179	-70.6	176	-178.9	0	0	111.6	P11 C12 F13 C14 S18 Y128 L129	P11-E16 VanDerWaalsContact CB-OE1 3.23Å; P11-E16 WeakPolarHBondContact CB-OE1 3.32Å; C12-E16 PolarHBondContact O-N 3.25Å; C12-E16 VanDerWaalsContact O-N 3.16Å; F13-E16 PolarHBondContact O-N 2.9Å; C14-E16 VanDerWaalsContact C-N 3.3Å; C14-E16 PolarHBondContact O-N 3.11Å; E16-S18 PolarHBondContact O-N 2.92Å; E16-Y128 VanDerWaalsContact O-CB 3.23Å; E16-Y128 WeakPolarHBondContact O-CB 3.45Å; E16-Y128 WeakPolarHBondContact O-CD2 3.37Å; E16-L129 HydrophobicContact CB-CD1 3.87Å; E16-L129 HydrophobicContact CB-CG 4.45Å
17	S	63.8	Low	71.1	Confident	25 Å²	25	83.7 Å²	83.7	18%	0.175	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	28.8	-173.8	-51.9	0	0	0	0	116.8	F13 C14 L129	F13-S17 WeakPolarHBondContact CE1-OG 3.06Å; F13-S17 PolarHBondContact O-N 3.26Å; F13-S17 VanDerWaalsContact O-N 3.08Å; F13-S17 PolarHBondContact O-OG 2.83Å; C14-S17 PolarHBondContact O-N 2.84Å; S17-L129 WeakPolarHBondContact OG-CD1 3.38Å
18	S	54.8	Low	73	Confident	27 Å²	27	81.4 Å²	81.4	19%	0.189	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	75.9	173.5	-1.8	0	0	0	0	114	E16 G20 F126 S127 Y128	E16-S18 PolarHBondContact O-N 2.92Å; S18-G20 VanDerWaalsContact C-N 3.33Å; S18-F126 PolarHBondContact OG-O 3.46Å; S18-S127 WeakPolarHBondContact OG-CA 3.41Å; S18-Y128 VanDerWaalsContact CA-CD2 3.43Å; S18-Y128 VanDerWaalsContact CA-CE2 3.48Å; S18-Y128 VanDerWaalsContact N-CD2 3.34Å; S18-Y128 WeakPolarHBondContact OG-CD2 3.45Å; S18-Y128 PolarHBondContact OG-N 3.3Å
19	R	59.1	Low	74.8	Confident	206 Å²	206	74.8 Å²	74.8	78%	0.777	39%	0.388	S	S	*	.	S	Bend	trans	73.9	17.9	177	-46	176.7	-176.8	159.8	3.9	114.5	F21	R19-F21 PolarHBondContact O-N 3.42Å
20	G	69.1	Low	76.5	Confident	20 Å²	20	70.5 Å²	70.5	21%	0.206	38%	0.384	C	S	.	.			trans	-70.9	101.3	-177.7	0	0	0	0	0	111.9	C14 S18	C14-G20 CarbonylContact C-O 3.42Å; C14-G20 VanDerWaalsContact C-O 3.23Å; C14-G20 CarbonylContact O-C 3.48Å; C14-G20 WeakPolarHBondContact O-CA 3.19Å; C14-G20 PolarHBondContact O-N 3.41Å; S18-G20 VanDerWaalsContact C-N 3.33Å
21	F	79.1	Confident	77.8	Confident	62 Å²	62	73.8 Å²	73.8	27%	0.272	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-60.5	146.2	160.3	-67.3	-92.7	0	0	0	109.1	R19 E23 I34 F36 Y50	R19-F21 PolarHBondContact O-N 3.42Å; F21-E23 PolarHBondContact O-N 3.13Å; F21-I34 CarbonylContact C-O 3.56Å; F21-I34 WeakPolarHBondContact CA-O 3.49Å; F21-I34 WeakPolarHBondContact CB-O 3.46Å; F21-I34 WeakPolarHBondContact CD1-O 3.22Å; F21-F36 HydrophobicContact CB-CB 3.7Å; F21-F36 HydrophobicContact CB-CD2 4.33Å; F21-F36 HydrophobicContact CB-CG 4.5Å; F21-F36 HydrophobicContact CD1-CB 4.4Å; F21-F36 HydrophobicContact CD1-CD2 4.22Å; F21-F36 AromaticContact CD2-CD2 3.97Å; F21-F36 HydrophobicContact CD2-CD2 3.97Å; F21-F36 HydrophobicContact CE2-CD2 4.28Å; F21-F36 HydrophobicContact CG-CB 4.11Å; F21-F36 AromaticContact CG-CD2 3.92Å; F21-F36 HydrophobicContact CG-CD2 3.92Å; F21-Y50 HydrophobicContact CZ-CE1 4.41Å
22	C	85	Confident	78.6	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.007	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-63.3	128.2	165.8	-68.6	0	0	0	0	107.9	C26 I34 R35 F36	C22-C26 HydrophobicContact CB-CB 3.95Å; C22-I34 PolarHBondContact N-O 3.42Å; C22-R35 HydrophobicContact CB-CB 4.16Å; C22-R35 HydrophobicContact CB-CG 4.13Å; C22-R35 CarbonylContact O-C 3.23Å; C22-R35 WeakPolarHBondContact O-CA 3.37Å; C22-R35 WeakPolarHBondContact O-CG 3.49Å; C22-F36 PolarHBondContact O-N 3.24Å
23	E	81	Confident	79	Confident	36 Å²	36	74.4 Å²	74.4	17%	0.168	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-87.1	173.9	176.3	-72.3	-63.3	163.5	0	0	110.8	F21 Y25 C26 R35 R54	F21-E23 PolarHBondContact O-N 3.13Å; E23-Y25 HydrophobicContact CB-CD2 4.08Å; E23-Y25 PolarHBondContact O-N 2.77Å; E23-Y25 VanDerWaalsContact O-N 3.07Å; E23-C26 PolarHBondContact N-SG 2.69Å; E23-C26 WeakPolarHBondContact O-CB 3.4Å; E23-C26 PolarHBondContact O-N 2.79Å; E23-R35 PolarHBondContact O-NH1 3.24Å; E23-R54 IonicContact OE1-NH1 3.82Å
24	K	82.9	Confident	79.3	Confident	135 Å²	135	70.6 Å²	70.6	59%	0.587	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	176.9	66.6	-177.9	-179.7	-177.9	0	113.7
25	Y	83.8	Confident	79.6	Confident	143 Å²	143	71.9 Å²	71.9	56%	0.561	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.2	179	-43.1	-72	0	0	0	113.9	E23 Y165	E23-Y25 HydrophobicContact CB-CD2 4.08Å; E23-Y25 PolarHBondContact O-N 2.77Å; E23-Y25 VanDerWaalsContact O-N 3.07Å; Y25-Y165 VanDerWaalsContact CE2-O 3.25Å; Y25-Y165 WeakPolarHBondContact CE2-O 3.42Å
26	C	86.5	Confident	80	Confident	34 Å²	34	70.9 Å²	70.9	23%	0.23	37%	0.371	C	S	.	.			trans	-71.6	132.5	178	-65.9	0	0	0	0	111.1	C22 E23 C28 R35	C22-C26 HydrophobicContact CB-CB 3.95Å; E23-C26 PolarHBondContact N-SG 2.69Å; E23-C26 WeakPolarHBondContact O-CB 3.4Å; E23-C26 PolarHBondContact O-N 2.79Å; C26-C28 PolarHBondContact O-N 3.43Å; C26-C28 VanDerWaalsContact O-N 3.14Å; C26-R35 PolarHBondContact O-NH1 2.93Å; C26-R35 PolarHBondContact O-NH2 3.2Å
27	C	88.6	Confident	80.5	Confident	131 Å²	131	71.3 Å²	71.3	89%	0.885	38%	0.381	S	S	*	.			trans	-76.4	13.3	176.6	-58.1	0	0	0	0	114.4
28	C	87.2	Confident	81.3	Confident	19 Å²	19	71.7 Å²	71.7	13%	0.128	39%	0.389	C	S	.	.	S	Bend	trans	-67.7	169.4	172.8	55.6	0	0	0	0	111.2	P6 C26 C32 R35	P6-C28 HydrophobicContact CG-CB 4.09Å; C26-C28 PolarHBondContact O-N 3.43Å; C26-C28 VanDerWaalsContact O-N 3.14Å; C28-C32 HydrophobicContact CB-CB 4.02Å; C28-C32 VanDerWaalsContact SG-CB 3.55Å; C28-C32 VanDerWaalsContact SG-SG 3.62Å; C28-R35 PolarHBondContact O-NH2 2.99Å; C28-R35 VanDerWaalsContact SG-CZ 3.56Å; C28-R35 PolarHBondContact SG-NH2 2.87Å
29	S	88.3	Confident	82.5	Confident	45 Å²	45	72.9 Å²	72.9	32%	0.315	40%	0.397	S	S	.	.			trans	-48.6	147.9	175.6	170.6	0	0	0	0	112.2	N31 C32 R35	S29-N31 PolarHBondContact O-N 2.83Å; S29-N31 PolarHBondContact OG-N 3.2Å; S29-N31 VanDerWaalsContact OG-N 3.11Å; S29-C32 WeakPolarHBondContact O-CB 3.33Å; S29-C32 PolarHBondContact O-N 2.8Å; S29-R35 PolarHBondContact O-NH2 3.26Å
30	A	85.3	Confident	83.5	Confident	90 Å²	90	75.2 Å²	75.2	74%	0.744	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.6	171.2	0	0	0	0	0	111.7	C32	A30-C32 VanDerWaalsContact C-N 3.32Å; A30-C32 PolarHBondContact O-N 3.05Å
31	N	87.1	Confident	84	Confident	142 Å²	142	76.8 Å²	76.8	76%	0.759	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	22.6	178	-62.1	-26	0	0	0	112.9	S29 I33	S29-N31 PolarHBondContact O-N 2.83Å; S29-N31 PolarHBondContact OG-N 3.2Å; S29-N31 VanDerWaalsContact OG-N 3.11Å; N31-I33 PolarHBondContact O-N 2.96Å; N31-I33 VanDerWaalsContact O-N 3.14Å
32	C	87.8	Confident	83.7	Confident	13 Å²	13	83.1 Å²	83.1	9%	0.088	44%	0.443	C	S	.	.			trans	-61.3	116.4	178	-179.8	0	0	0	0	110.6	C28 S29 A30 I34 R35	C28-C32 HydrophobicContact CB-CB 4.02Å; C28-C32 VanDerWaalsContact SG-CB 3.55Å; C28-C32 VanDerWaalsContact SG-SG 3.62Å; S29-C32 WeakPolarHBondContact O-CB 3.33Å; S29-C32 PolarHBondContact O-N 2.8Å; A30-C32 VanDerWaalsContact C-N 3.32Å; A30-C32 PolarHBondContact O-N 3.05Å; C32-I34 PolarHBondContact O-N 3.12Å; C32-R35 HydrophobicContact CB-CB 4.26Å; C32-R35 WeakPolarHBondContact O-CB 3.45Å; C32-R35 PolarHBondContact O-N 3.14Å
33	I	85.9	Confident	82.9	Confident	121 Å²	121	89.9 Å²	89.9	62%	0.621	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.7	-177.7	64.3	170.7	0	0	0	114.1	K8 N31 R35	K8-I33 HydrophobicContact CD-CD1 3.89Å; K8-I33 HydrophobicContact CG-CD1 3.95Å; N31-I33 PolarHBondContact O-N 2.96Å; N31-I33 VanDerWaalsContact O-N 3.14Å; I33-R35 VanDerWaalsContact C-N 3.29Å
34	I	85.1	Confident	82.3	Confident	50 Å²	50	92.2 Å²	92.2	26%	0.256	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.3	174.1	-54.2	-62.4	0	0	0	110.5	T15 F21 C22 C32	T15-I34 HydrophobicContact CG2-CB 4.24Å; T15-I34 HydrophobicContact CG2-CD1 3.56Å; T15-I34 HydrophobicContact CG2-CG1 3.71Å; T15-I34 HydrophobicContact CG2-CG2 3.47Å; T15-I34 VanDerWaalsContact CG2-CG2 3.47Å; F21-I34 CarbonylContact C-O 3.56Å; F21-I34 WeakPolarHBondContact CA-O 3.49Å; F21-I34 WeakPolarHBondContact CB-O 3.46Å; F21-I34 WeakPolarHBondContact CD1-O 3.22Å; C22-I34 PolarHBondContact N-O 3.42Å; C32-I34 PolarHBondContact O-N 3.12Å
35	R	86.4	Confident	81.7	Confident	56 Å²	56	86.5 Å²	86.5	21%	0.211	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-66.5	142.5	-175.6	-154.1	-179.2	-76	-96.3	12.7	110.9	C22 E23 C26 C28 S29 C32 I33 P37	C22-R35 HydrophobicContact CB-CB 4.16Å; C22-R35 HydrophobicContact CB-CG 4.13Å; C22-R35 CarbonylContact O-C 3.23Å; C22-R35 WeakPolarHBondContact O-CA 3.37Å; C22-R35 WeakPolarHBondContact O-CG 3.49Å; E23-R35 PolarHBondContact O-NH1 3.24Å; C26-R35 PolarHBondContact O-NH1 2.93Å; C26-R35 PolarHBondContact O-NH2 3.2Å; C28-R35 PolarHBondContact O-NH2 2.99Å; C28-R35 VanDerWaalsContact SG-CZ 3.56Å; C28-R35 PolarHBondContact SG-NH2 2.87Å; S29-R35 PolarHBondContact O-NH2 3.26Å; C32-R35 HydrophobicContact CB-CB 4.26Å; C32-R35 WeakPolarHBondContact O-CB 3.45Å; C32-R35 PolarHBondContact O-N 3.14Å; I33-R35 VanDerWaalsContact C-N 3.29Å; R35-P37 WeakPolarHBondContact O-CD 3.49Å
36	F	83.3	Confident	81	Confident	43 Å²	43	83 Å²	83	19%	0.189	47%	0.473	C	S	.	.			trans	-63.1	118.7	-179.9	-176.4	-113.9	0	0	0	109.3	F21 C22 G38 T51 R54	F21-F36 HydrophobicContact CB-CB 3.7Å; F21-F36 HydrophobicContact CB-CD2 4.33Å; F21-F36 HydrophobicContact CB-CG 4.5Å; F21-F36 HydrophobicContact CD1-CB 4.4Å; F21-F36 HydrophobicContact CD1-CD2 4.22Å; F21-F36 AromaticContact CD2-CD2 3.97Å; F21-F36 HydrophobicContact CD2-CD2 3.97Å; F21-F36 HydrophobicContact CE2-CD2 4.28Å; F21-F36 HydrophobicContact CG-CB 4.11Å; F21-F36 AromaticContact CG-CD2 3.92Å; F21-F36 HydrophobicContact CG-CD2 3.92Å; C22-F36 PolarHBondContact O-N 3.24Å; F36-G38 PolarHBondContact O-N 3.39Å; F36-T51 HydrophobicContact CE1-CG2 4.37Å; F36-T51 HydrophobicContact CE2-CG2 3.58Å; F36-T51 HydrophobicContact CZ-CG2 3.42Å; F36-T51 VanDerWaalsContact CZ-CG2 3.42Å; F36-R54 HydrophobicContact CE1-CB 4.45Å; F36-R54 HydrophobicContact CE2-CB 4.46Å; F36-R54 HydrophobicContact CZ-CB 3.78Å; F36-R54 HydrophobicContact CZ-CG 4.34Å
37	P	81.4	Confident	80.1	Confident	99 Å²	99	86.4 Å²	86.4	64%	0.643	50%	0.497	S	S	*	.			trans	-75.9	-13	-171.2	29.4	-35.2	0	0	0	113.4	R35	R35-P37 WeakPolarHBondContact O-CD 3.49Å
38	G	80.3	Confident	79.3	Confident	33 Å²	33	88.9 Å²	88.9	34%	0.34	49%	0.493	S	S	.	.			trans	72.9	-173.2	-173.5	0	0	0	0	0	113.8	F36 T51	F36-G38 PolarHBondContact O-N 3.39Å; G38-T51 WeakPolarHBondContact O-CG2 3.26Å
39	C	79.6	Confident	78.5	Confident	52 Å²	52	88.9 Å²	88.9	35%	0.351	49%	0.493	S	S	.	.			trans	-111.8	142.4	176.7	113.5	0	0	0	0	110.8	C45 T51 A55	C39-C45 WeakPolarHBondContact CB-SG 3.21Å; C39-C45 WeakPolarHBondContact SG-CB 3.45Å; C39-C45 CovalentContact SG-SG 2.12Å; C39-C45 PolarHBondContact SG-SG 3.34Å; C39-T51 WeakPolarHBondContact CA-OG1 3.49Å; C39-T51 WeakPolarHBondContact CB-OG1 3.37Å; C39-A55 HydrophobicContact CB-CB 4.22Å
40	R	80.3	Confident	77.6	Confident	254 Å²	254	95.5 Å²	95.5	96%	0.958	51%	0.512	S	S	*	.			trans	-109.2	27.2	171.6	-73.3	-166.6	-97.4	-139.1	-3.3	111.7
41	C	78.4	Confident	76.9	Confident	54 Å²	54	91.5 Å²	91.5	37%	0.365	48%	0.479	S	S	.	.			trans	-69.2	142.3	176.7	-64.2	0	0	0	0	110.1	C45 C49	C41-C45 HydrophobicContact CB-CB 4.36Å; C41-C49 PolarHBondContact SG-SG 3.08Å
42	H	72.7	Confident	75.7	Confident	194 Å²	194	87 Å²	87	90%	0.898	45%	0.453	S	S	*	.	S	Bend	trans	-89.5	-25.6	-170.2	-127.8	-63.1	0	0	0	114.2
43	T	69.6	Low	74.4	Confident	144 Å²	144	90.2 Å²	90.2	88%	0.883	47%	0.473	S	S	*	.	S	Bend	trans	-127.5	-70.8	-173	-30.1	0	0	0	0	110.6
44	S	68.6	Low	73.3	Confident	84 Å²	84	86.9 Å²	86.9	59%	0.587	45%	0.453	S	S	*	.			trans	-128.7	137.5	172.9	50.3	0	0	0	0	107.4	D46	S44-D46 PolarHBondContact O-N 3.33Å
45	C	70.7	Confident	72	Confident	16 Å²	16	85.9 Å²	85.9	11%	0.108	45%	0.452	C	S	.	.			trans	-68.5	114.7	164.2	-123.1	0	0	0	0	103.2	C39 C41 C49 H52 A55	C39-C45 WeakPolarHBondContact CB-SG 3.21Å; C39-C45 WeakPolarHBondContact SG-CB 3.45Å; C39-C45 CovalentContact SG-SG 2.12Å; C39-C45 PolarHBondContact SG-SG 3.34Å; C41-C45 HydrophobicContact CB-CB 4.36Å; C45-C49 HydrophobicContact CB-CB 4.37Å; C45-C49 PolarHBondContact SG-SG 2.95Å; C45-H52 PolarHBondContact O-CD2 3.28Å; C45-H52 PolarHBondContact O-NE2 2.88Å; C45-A55 HydrophobicContact CB-CB 3.61Å; C45-A55 WeakPolarHBondContact SG-CB 3.12Å
46	D	67.6	Low	70.6	Confident	70 Å²	70	86 Å²	86	37%	0.374	46%	0.456	S	S	.	.			trans	-108.9	-178.8	179.2	74.1	-6.2	0	0	0	111.4	S44 K48 C49 H52	S44-D46 PolarHBondContact O-N 3.33Å; D46-K48 PolarHBondContact O-N 3.45Å; D46-K48 WeakPolarHBondContact OD1-CB 3.5Å; D46-K48 PolarHBondContact OD1-N 3.41Å; D46-C49 WeakPolarHBondContact O-CB 3.47Å; D46-C49 PolarHBondContact O-N 3.11Å; D46-H52 VanDerWaalsContact C-CG 3.49Å; D46-H52 WeakPolarHBondContact CA-CD2 3.49Å; D46-H52 VanDerWaalsContact CA-NE2 3.3Å; D46-H52 WeakPolarHBondContact CA-NE2 3.46Å; D46-H52 PolarHBondContact N-CD2 2.9Å; D46-H52 WeakPolarHBondContact O-CB 3.47Å; D46-H52 PolarHBondContact O-CD2 3.24Å; D46-H52 PolarHBondContact O-NE2 2.93Å
47	S	67.8	Low	69.4	Low	104 Å²	104	84 Å²	84	73%	0.727	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-16.5	-176.6	58.8	0	0	0	0	114.9	H52	S47-H52 PolarHBondContact N-NE2 2.82Å
48	K	71.6	Confident	68.3	Low	184 Å²	184	80.5 Å²	80.5	80%	0.8	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.3	176.4	-59.6	177.4	-178.8	173.3	0	112.8	D46 Y50	D46-K48 PolarHBondContact O-N 3.45Å; D46-K48 WeakPolarHBondContact OD1-CB 3.5Å; D46-K48 PolarHBondContact OD1-N 3.41Å; K48-Y50 PolarHBondContact O-N 3.31Å
49	C	70.9	Confident	67.3	Low	19 Å²	19	80.8 Å²	80.8	13%	0.128	43%	0.427	C	S	.	.			trans	-74.8	124.2	177.5	-172.7	0	0	0	0	111.1	C41 C45 D46 T51 H52	C41-C49 PolarHBondContact SG-SG 3.08Å; C45-C49 HydrophobicContact CB-CB 4.37Å; C45-C49 PolarHBondContact SG-SG 2.95Å; D46-C49 WeakPolarHBondContact O-CB 3.47Å; D46-C49 PolarHBondContact O-N 3.11Å; C49-T51 PolarHBondContact O-N 3.48Å; C49-T51 VanDerWaalsContact O-N 3.15Å; C49-T51 PolarHBondContact SG-N 3.25Å; C49-T51 PolarHBondContact SG-OG1 2.74Å; C49-H52 HydrophobicContact CB-CB 3.89Å; C49-H52 WeakPolarHBondContact O-CA 3.45Å; C49-H52 WeakPolarHBondContact O-CB 3.16Å; C49-H52 PolarHBondContact O-N 3.12Å
50	Y	70.1	Confident	66.3	Low	183 Å²	183	79.5 Å²	79.5	72%	0.718	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-34.3	175.2	176.1	-101.6	0	0	0	112.7	F21 K48	F21-Y50 HydrophobicContact CZ-CE1 4.41Å; K48-Y50 PolarHBondContact O-N 3.31Å
51	T	69.9	Low	65.3	Low	7 Å²	7	67.9 Å²	67.9	4%	0.043	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7.8	176.1	55.7	0	0	0	0	113.1	F36 G38 C39 C49 P53 R54 A55	F36-T51 HydrophobicContact CE1-CG2 4.37Å; F36-T51 HydrophobicContact CE2-CG2 3.58Å; F36-T51 HydrophobicContact CZ-CG2 3.42Å; F36-T51 VanDerWaalsContact CZ-CG2 3.42Å; G38-T51 WeakPolarHBondContact O-CG2 3.26Å; C39-T51 WeakPolarHBondContact CA-OG1 3.49Å; C39-T51 WeakPolarHBondContact CB-OG1 3.37Å; C49-T51 PolarHBondContact O-N 3.48Å; C49-T51 VanDerWaalsContact O-N 3.15Å; C49-T51 PolarHBondContact SG-N 3.25Å; C49-T51 PolarHBondContact SG-OG1 2.74Å; T51-P53 VanDerWaalsContact C-N 3.3Å; T51-P53 VanDerWaalsContact O-N 3.15Å; T51-R54 PolarHBondContact O-N 2.86Å; T51-A55 PolarHBondContact O-N 2.73Å
52	H	62.9	Low	64.3	Low	47 Å²	47	71.5 Å²	71.5	22%	0.218	39%	0.387	C	S	.	.	H	α-helix	trans	-40.3	-52	-178.7	178.3	-124.1	0	0	0	113.3	C45 D46 S47 C49 R54 A55 I56	C45-H52 PolarHBondContact O-CD2 3.28Å; C45-H52 PolarHBondContact O-NE2 2.88Å; D46-H52 VanDerWaalsContact C-CG 3.49Å; D46-H52 WeakPolarHBondContact CA-CD2 3.49Å; D46-H52 VanDerWaalsContact CA-NE2 3.3Å; D46-H52 WeakPolarHBondContact CA-NE2 3.46Å; D46-H52 PolarHBondContact N-CD2 2.9Å; D46-H52 WeakPolarHBondContact O-CB 3.47Å; D46-H52 PolarHBondContact O-CD2 3.24Å; D46-H52 PolarHBondContact O-NE2 2.93Å; S47-H52 PolarHBondContact N-NE2 2.82Å; C49-H52 HydrophobicContact CB-CB 3.89Å; C49-H52 WeakPolarHBondContact O-CA 3.45Å; C49-H52 WeakPolarHBondContact O-CB 3.16Å; C49-H52 PolarHBondContact O-N 3.12Å; H52-R54 VanDerWaalsContact C-N 3.26Å; H52-R54 PolarHBondContact O-N 2.83Å; H52-A55 PolarHBondContact O-N 2.86Å; H52-I56 VanDerWaalsContact CD2-CD1 3.46Å; H52-I56 WeakPolarHBondContact CD2-CD1 3.44Å; H52-I56 WeakPolarHBondContact NE2-CD1 3.21Å; H52-I56 PolarHBondContact O-N 3.32Å
53	P	60	Low	63.7	Low	80 Å²	80	64.7 Å²	64.7	52%	0.519	37%	0.37	S	S	.	.	H	α-helix	trans	-66	-30.4	-173.9	-17.5	32.9	0	0	0	112.3	T51 T57	T51-P53 VanDerWaalsContact C-N 3.3Å; T51-P53 VanDerWaalsContact O-N 3.15Å; P53-T57 WeakPolarHBondContact O-CB 3.42Å; P53-T57 WeakPolarHBondContact O-CG2 3.27Å; P53-T57 PolarHBondContact O-N 3.43Å; P53-T57 PolarHBondContact O-OG1 2.78Å
54	R	61.8	Low	63.8	Low	51 Å²	51	63.5 Å²	63.5	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-85.2	-36.9	178.6	-87.6	-176.2	-178.1	174.8	2.3	113.3	E23 F36 T51 H52 T57 N58	E23-R54 IonicContact OE1-NH1 3.82Å; F36-R54 HydrophobicContact CE1-CB 4.45Å; F36-R54 HydrophobicContact CE2-CB 4.46Å; F36-R54 HydrophobicContact CZ-CB 3.78Å; F36-R54 HydrophobicContact CZ-CG 4.34Å; T51-R54 PolarHBondContact O-N 2.86Å; H52-R54 VanDerWaalsContact C-N 3.26Å; H52-R54 PolarHBondContact O-N 2.83Å; R54-T57 WeakPolarHBondContact CA-OG1 3.2Å; R54-T57 PolarHBondContact O-OG1 3.47Å; R54-T57 VanDerWaalsContact O-OG1 3.07Å; R54-N58 WeakPolarHBondContact O-CB 3.4Å; R54-N58 VanDerWaalsContact O-CG 3.26Å; R54-N58 PolarHBondContact O-N 3.15Å; R54-N58 PolarHBondContact O-ND2 2.82Å
55	A	57.6	Low	64.7	Low	29 Å²	29	63.3 Å²	63.3	24%	0.24	35%	0.354	C	S	.	.	H	α-helix	trans	-70.8	-43.2	-179.9	0	0	0	0	0	111.6	C39 C45 T51 H52 G59	C39-A55 HydrophobicContact CB-CB 4.22Å; C45-A55 HydrophobicContact CB-CB 3.61Å; C45-A55 WeakPolarHBondContact SG-CB 3.12Å; T51-A55 PolarHBondContact O-N 2.73Å; H52-A55 PolarHBondContact O-N 2.86Å; A55-G59 PolarHBondContact O-N 3.18Å
56	I	58.6	Low	65.7	Low	58 Å²	58	65 Å²	65	30%	0.297	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-51.2	172.1	-70.7	-163.2	0	0	0	109.8	H52 N58 G59 T60	H52-I56 VanDerWaalsContact CD2-CD1 3.46Å; H52-I56 WeakPolarHBondContact CD2-CD1 3.44Å; H52-I56 WeakPolarHBondContact NE2-CD1 3.21Å; H52-I56 PolarHBondContact O-N 3.32Å; I56-N58 VanDerWaalsContact C-N 3.25Å; I56-N58 PolarHBondContact O-N 3.24Å; I56-G59 PolarHBondContact O-N 3.01Å; I56-T60 WeakPolarHBondContact CG2-OG1 3.36Å; I56-T60 WeakPolarHBondContact O-CB 3.03Å; I56-T60 PolarHBondContact O-N 3.33Å; I56-T60 PolarHBondContact O-OG1 2.78Å
57	T	57.5	Low	67	Low	3 Å²	3	66.9 Å²	66.9	2%	0.018	37%	0.369	C	S	.	.	H	α-helix	trans	-60	-35.6	-176.4	42.3	0	0	0	0	113.3	P53 R54 L61 K162	P53-T57 WeakPolarHBondContact O-CB 3.42Å; P53-T57 WeakPolarHBondContact O-CG2 3.27Å; P53-T57 PolarHBondContact O-N 3.43Å; P53-T57 PolarHBondContact O-OG1 2.78Å; R54-T57 WeakPolarHBondContact CA-OG1 3.2Å; R54-T57 PolarHBondContact O-OG1 3.47Å; R54-T57 VanDerWaalsContact O-OG1 3.07Å; T57-L61 HydrophobicContact CG2-CD1 4.29Å; T57-L61 VanDerWaalsContact O-CB 3.23Å; T57-L61 WeakPolarHBondContact O-CB 3.47Å; T57-L61 PolarHBondContact O-N 3.45Å; T57-K162 HydrophobicContact CG2-CB 3.61Å; T57-K162 HydrophobicContact CG2-CD 3.59Å; T57-K162 HydrophobicContact CG2-CG 3.38Å
58	N	57.9	Low	68.3	Low	24 Å²	24	63.3 Å²	63.3	13%	0.128	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-44.1	173.9	-76.5	-19.3	0	0	0	113.3	R54 I56 M62 V164 Y165	R54-N58 WeakPolarHBondContact O-CB 3.4Å; R54-N58 VanDerWaalsContact O-CG 3.26Å; R54-N58 PolarHBondContact O-N 3.15Å; R54-N58 PolarHBondContact O-ND2 2.82Å; I56-N58 VanDerWaalsContact C-N 3.25Å; I56-N58 PolarHBondContact O-N 3.24Å; N58-M62 VanDerWaalsContact O-CB 3.26Å; N58-M62 WeakPolarHBondContact O-CB 3.5Å; N58-M62 WeakPolarHBondContact O-CG 3.47Å; N58-V164 WeakPolarHBondContact OD1-CA 3.25Å; N58-V164 WeakPolarHBondContact OD1-CG1 3.21Å; N58-Y165 HydrophobicContact CB-CE1 4.41Å; N58-Y165 HydrophobicContact CB-CE2 3.77Å; N58-Y165 PolarHBondContact OD1-N 3.34Å
59	G	58.3	Low	69.6	Low	40 Å²	40	58.4 Å²	58.4	41%	0.412	32%	0.319	S	S	.	.	H	α-helix	trans	-76	-39	179.2	0	0	0	0	0	113.2	A55 I56 M62	A55-G59 PolarHBondContact O-N 3.18Å; I56-G59 PolarHBondContact O-N 3.01Å; G59-M62 PolarHBondContact O-N 2.93Å
60	T	58.6	Low	70.8	Confident	25 Å²	25	61 Å²	61	15%	0.153	33%	0.331	C	S	.	.	H	α-helix	trans	-76.9	-42.5	-173	-62.4	0	0	0	0	112.2	I56 M62 F91	I56-T60 WeakPolarHBondContact CG2-OG1 3.36Å; I56-T60 WeakPolarHBondContact O-CB 3.03Å; I56-T60 PolarHBondContact O-N 3.33Å; I56-T60 PolarHBondContact O-OG1 2.78Å; T60-M62 PolarHBondContact O-N 3.07Å; T60-F91 HydrophobicContact CG2-CB 3.16Å; T60-F91 HydrophobicContact CG2-CD1 3.05Å; T60-F91 HydrophobicContact CG2-CD2 3.82Å; T60-F91 HydrophobicContact CG2-CE1 3.74Å; T60-F91 HydrophobicContact CG2-CE2 4.41Å; T60-F91 HydrophobicContact CG2-CG 3.05Å; T60-F91 HydrophobicContact CG2-CZ 4.37Å; T60-F91 WeakPolarHBondContact O-CE1 3.5Å
61	L	60.2	Low	72.1	Confident	9 Å²	9	53.5 Å²	53.5	5%	0.047	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.3	174	-70.6	155.6	0	0	0	113.2	T57 F91 E94 K162 V164 R169	T57-L61 HydrophobicContact CG2-CD1 4.29Å; T57-L61 VanDerWaalsContact O-CB 3.23Å; T57-L61 WeakPolarHBondContact O-CB 3.47Å; T57-L61 PolarHBondContact O-N 3.45Å; L61-F91 HydrophobicContact CD2-CE2 3.39Å; L61-F91 HydrophobicContact CD2-CZ 3.58Å; L61-F91 HydrophobicContact CG-CE2 3.91Å; L61-F91 HydrophobicContact CG-CZ 4.08Å; L61-E94 HydrophobicContact CD2-CB 3.87Å; L61-E94 HydrophobicContact CD2-CG 4.01Å; L61-K162 HydrophobicContact CD1-CB 4.02Å; L61-K162 HydrophobicContact CD1-CG 4.36Å; L61-V164 HydrophobicContact CB-CG2 4.17Å; L61-V164 HydrophobicContact CD1-CG2 3.35Å; L61-V164 HydrophobicContact CG-CG2 4.36Å; L61-R169 HydrophobicContact CD1-CB 4.41Å; L61-R169 PolarHBondContact O-NH1 2.86Å
62	M	58.5	Low	73.4	Confident	130 Å²	130	60 Å²	60	64%	0.64	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	0.7	177.7	-85.6	-159.9	131.1	0	0	115.1	N58 G59 T60 Y165	N58-M62 VanDerWaalsContact O-CB 3.26Å; N58-M62 WeakPolarHBondContact O-CB 3.5Å; N58-M62 WeakPolarHBondContact O-CG 3.47Å; G59-M62 PolarHBondContact O-N 2.93Å; T60-M62 PolarHBondContact O-N 3.07Å; M62-Y165 HydrophobicContact CE-CD2 4.33Å; M62-Y165 HydrophobicContact CE-CE2 4.06Å; M62-Y165 HydrophobicContact CG-CE2 4.29Å; M62-Y165 HydrophobicContact SD-CD2 4.25Å; M62-Y165 HydrophobicContact SD-CE2 3.47Å; M62-Y165 WeakPolarHBondContact SD-CE2 3.38Å
63	G	59.7	Low	75	Confident	52 Å²	52	58.5 Å²	58.5	54%	0.536	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	158.3	-3.9	172.5	0	0	0	0	0	117.7	T65	G63-T65 VanDerWaalsContact C-N 3.28Å; G63-T65 PolarHBondContact O-N 2.9Å
64	N	72	Confident	76.4	Confident	119 Å²	119	62.3 Å²	62.3	64%	0.636	35%	0.354	S	S	*	.			trans	-94.3	57.8	176.7	-66.7	-22.8	0	0	0	110.5	F91	N64-F91 WeakPolarHBondContact O-CD1 3.37Å
65	T	86.8	Confident	77.7	Confident	80 Å²	80	64.4 Å²	64.4	49%	0.491	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-78.2	148.2	170.3	54.1	0	0	0	0	109.8	G63 F91 I92 C93	G63-T65 VanDerWaalsContact C-N 3.28Å; G63-T65 PolarHBondContact O-N 2.9Å; T65-F91 HydrophobicContact CG2-CE1 3.96Å; T65-F91 HydrophobicContact CG2-CZ 4.44Å; T65-I92 CarbonylContact C-O 3.53Å; T65-I92 WeakPolarHBondContact CA-O 3.27Å; T65-C93 HydrophobicContact CG2-CB 4.34Å
66	K	92.2	Very high	79	Confident	50 Å²	50	70 Å²	70	22%	0.217	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-73.6	155.6	172.3	-61.7	-74.6	177.1	152.8	0	109.9	L68 E84 L86 D90 F91 I92	K66-L68 PolarHBondContact O-N 2.98Å; K66-E84 WeakPolarHBondContact CA-OE1 3.34Å; K66-E84 WeakPolarHBondContact CB-OE1 3.17Å; K66-E84 WeakPolarHBondContact CD-OE1 3.3Å; K66-L86 HydrophobicContact CB-CD2 3.77Å; K66-L86 HydrophobicContact CD-CD2 3.62Å; K66-L86 HydrophobicContact CG-CD2 3.58Å; K66-D90 WeakPolarHBondContact CE-OD2 3.26Å; K66-D90 IonicContact NZ-OD1 2.77Å; K66-D90 PolarHBondContact NZ-OD1 3.28Å; K66-D90 IonicContact NZ-OD2 2.71Å; K66-D90 PolarHBondContact NZ-OD2 2.97Å; K66-F91 VanDerWaalsContact CG-O 3.27Å; K66-F91 WeakPolarHBondContact CG-O 3.44Å; K66-I92 PolarHBondContact N-O 2.59Å
67	D	94.2	Very high	80.6	Confident	110 Å²	110	69.4 Å²	69.4	59%	0.588	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-73.8	125.2	176.5	-74.2	-26.1	0	0	0	109.8	A83 E84	D67-A83 HydrophobicContact CB-CB 3.71Å; D67-A83 VanDerWaalsContact O-CB 3.22Å; D67-A83 WeakPolarHBondContact O-CB 3.4Å; D67-A83 PolarHBondContact O-N 3.31Å; D67-E84 PolarHBondContact N-OE1 2.95Å; D67-E84 VanDerWaalsContact N-OE1 3.13Å
68	L	96	Very high	82.4	Confident	29 Å²	29	73 Å²	73	15%	0.152	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	160.8	-178.4	-57.9	177.5	0	0	0	109.9	K66 V80 F81 I92 C93 L184	K66-L68 PolarHBondContact O-N 2.98Å; L68-V80 HydrophobicContact CB-CG1 4Å; L68-V80 HydrophobicContact CD1-CG1 3.92Å; L68-V80 HydrophobicContact CD2-CG1 4.33Å; L68-V80 HydrophobicContact CG-CG1 4.3Å; L68-F81 WeakPolarHBondContact CA-O 3.32Å; L68-I92 HydrophobicContact CD1-CG2 3.97Å; L68-I92 HydrophobicContact CD2-CG2 3.83Å; L68-I92 HydrophobicContact CG-CG2 4.38Å; L68-C93 HydrophobicContact CD1-CB 4.04Å; L68-L184 HydrophobicContact CD1-CD1 4.47Å; L68-L184 HydrophobicContact CD2-CD1 3.74Å
69	Y	97.4	Very high	84.2	Confident	81 Å²	81	71.8 Å²	71.8	32%	0.318	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.6	167.5	66.3	-89	0	0	0	111.1	F81 A83 N181	Y69-F81 HydrophobicContact CD1-CB 4.04Å; Y69-F81 HydrophobicContact CD2-CB 4Å; Y69-F81 HydrophobicContact CD2-CD2 4.27Å; Y69-F81 HydrophobicContact CD2-CG 4.41Å; Y69-F81 HydrophobicContact CE1-CB 3.56Å; Y69-F81 HydrophobicContact CE2-CB 3.5Å; Y69-F81 VanDerWaalsContact CE2-CB 3.5Å; Y69-F81 AromaticContact CE2-CD2 3.89Å; Y69-F81 HydrophobicContact CE2-CD2 3.89Å; Y69-F81 AromaticContact CE2-CG 3.74Å; Y69-F81 HydrophobicContact CE2-CG 3.74Å; Y69-F81 HydrophobicContact CG-CB 4.25Å; Y69-F81 AromaticContact CZ-CG 3.85Å; Y69-F81 PolarHBondContact N-O 3.39Å; Y69-F81 PolarHBondContact O-N 3.22Å; Y69-A83 HydrophobicContact CD1-CB 4.02Å; Y69-N181 WeakPolarHBondContact OH-CA 3.18Å; Y69-N181 WeakPolarHBondContact OH-CB 3.21Å; Y69-N181 PolarHBondContact OH-OD1 3.44Å
70	I	97.3	Very high	86.1	Confident	75 Å²	75	69.9 Å²	69.9	39%	0.385	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.8	178.1	-64.3	172.9	0	0	0	109.1	I78 G79 E145 F148	I70-I78 HydrophobicContact CG2-CG2 3.18Å; I70-G79 WeakPolarHBondContact CA-O 3.34Å; I70-E145 HydrophobicContact CD1-CB 4.09Å; I70-E145 HydrophobicContact CD1-CG 3.93Å; I70-E145 HydrophobicContact CG1-CB 4.23Å; I70-E145 HydrophobicContact CG1-CG 4.32Å; I70-F148 HydrophobicContact CD1-CD2 3.62Å; I70-F148 HydrophobicContact CD1-CE2 3.78Å; I70-F148 HydrophobicContact CG1-CD2 4.25Å
71	G	97	Very high	88	Confident	24 Å²	24	69.6 Å²	69.6	25%	0.247	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	177.1	176.9	0	0	0	0	0	112.4	S73 I78 G79	G71-S73 PolarHBondContact O-N 3.21Å; G71-I78 WeakPolarHBondContact O-CA 3.28Å; G71-G79 PolarHBondContact N-O 2.98Å; G71-G79 VanDerWaalsContact N-O 3.11Å; G71-G79 PolarHBondContact O-N 2.72Å
72	D	97.1	Very high	89.8	Confident	143 Å²	143	69.2 Å²	69.2	77%	0.765	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.9	171.1	-68.6	-35.7	0	0	0	109.3	F81	D72-F81 WeakPolarHBondContact O-CZ 3.49Å
73	S	95.8	Very high	91.6	Very high	16 Å²	16	64.3 Å²	64.3	11%	0.112	37%	0.369	C	S	.	.			trans	-82.8	139.6	-179.6	146.7	0	0	0	0	110.3	G71 V75 H76 G77 N150 E183	G71-S73 PolarHBondContact O-N 3.21Å; S73-V75 PolarHBondContact O-N 2.59Å; S73-V75 WeakPolarHBondContact OG-CA 3.49Å; S73-V75 PolarHBondContact OG-N 3.03Å; S73-H76 PolarHBondContact OG-N 2.78Å; S73-G77 PolarHBondContact N-O 2.66Å; S73-N150 WeakPolarHBondContact CB-ND2 3.19Å; S73-N150 PolarHBondContact OG-ND2 2.76Å; S73-E183 VanDerWaalsContact CB-OE1 3.27Å; S73-E183 WeakPolarHBondContact CB-OE1 3.17Å; S73-E183 PolarHBondContact OG-OE1 3.1Å
74	D	89.9	Confident	93.4	Very high	160 Å²	160	65.2 Å²	65.2	86%	0.856	36%	0.359	S	S	*	.	S	Bend	trans	-70.1	-18.9	172.2	-73	-31.1	0	0	0	112.7	E183	D74-E183 PolarHBondContact N-OE2 3.08Å
75	V	88.7	Confident	94.6	Very high	95 Å²	95	63.5 Å²	63.5	58%	0.576	35%	0.35	S	S	*	.	S	Bend	trans	-90.9	-64.2	178.4	-176.2	0	0	0	0	112.1	S73 F185	S73-V75 PolarHBondContact O-N 2.59Å; S73-V75 WeakPolarHBondContact OG-CA 3.49Å; S73-V75 PolarHBondContact OG-N 3.03Å; V75-F185 HydrophobicContact CB-CE1 4.33Å; V75-F185 HydrophobicContact CG2-CE1 3.63Å; V75-F185 HydrophobicContact CG2-CZ 3.79Å
76	H	85.2	Confident	95.1	Very high	146 Å²	146	59.9 Å²	59.9	68%	0.676	33%	0.328	S	S	*	.	S	Bend	trans	-158.1	120.6	-178.4	-174.7	-81.3	0	0	0	112.9	S73 I78	S73-H76 PolarHBondContact OG-N 2.78Å; H76-I78 PolarHBondContact O-N 3.37Å
77	G	92.6	Very high	95.3	Very high	47 Å²	47	64.3 Å²	64.3	49%	0.485	35%	0.349	S	S	.	.	S	Bend	trans	66.1	-118.6	169.5	0	0	0	0	0	112.6	S73	S73-G77 PolarHBondContact N-O 2.66Å
78	I	94.6	Very high	95.3	Very high	77 Å²	77	63.6 Å²	63.6	40%	0.395	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.8	-175.7	-61.4	177	0	0	0	108.5	I70 G71 H76 F148 N150	I70-I78 HydrophobicContact CG2-CG2 3.18Å; G71-I78 WeakPolarHBondContact O-CA 3.28Å; H76-I78 PolarHBondContact O-N 3.37Å; I78-F148 HydrophobicContact CB-CD1 4.24Å; I78-F148 HydrophobicContact CG2-CB 4.14Å; I78-F148 HydrophobicContact CG2-CD1 4.04Å; I78-F148 HydrophobicContact CG2-CG 4.03Å; I78-N150 PolarHBondContact O-ND2 3.49Å
79	G	96.6	Very high	95	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	169.8	176.4	0	0	0	0	0	112.8	I70 G71 F148 E183	I70-G79 WeakPolarHBondContact CA-O 3.34Å; G71-G79 PolarHBondContact N-O 2.98Å; G71-G79 VanDerWaalsContact N-O 3.11Å; G71-G79 PolarHBondContact O-N 2.72Å; G79-F148 WeakPolarHBondContact CA-O 3.5Å; G79-E183 WeakPolarHBondContact CA-OE1 3.12Å
80	V	97.7	Very high	94.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.4	173.1	-178.9	0	0	0	0	109.2	L68 E145 F148 I149 E183 L184	L68-V80 HydrophobicContact CB-CG1 4Å; L68-V80 HydrophobicContact CD1-CG1 3.92Å; L68-V80 HydrophobicContact CD2-CG1 4.33Å; L68-V80 HydrophobicContact CG-CG1 4.3Å; V80-E145 WeakPolarHBondContact CG2-O 2.85Å; V80-F148 HydrophobicContact CG2-CB 3.68Å; V80-I149 HydrophobicContact CB-CG1 3.86Å; V80-I149 HydrophobicContact CG1-CG1 4.34Å; V80-I149 HydrophobicContact CG2-CG1 3.86Å; V80-E183 CarbonylContact O-C 3.59Å; V80-E183 WeakPolarHBondContact O-CA 3.35Å; V80-L184 HydrophobicContact CG1-CD1 4.02Å; V80-L184 PolarHBondContact O-N 3.05Å
81	F	98.1	Very high	94.4	Very high	19 Å²	19	59.4 Å²	59.4	8%	0.083	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.2	-174.3	-60.6	-99.8	0	0	0	110.8	L68 Y69 D72 S182 E183	L68-F81 WeakPolarHBondContact CA-O 3.32Å; Y69-F81 HydrophobicContact CD1-CB 4.04Å; Y69-F81 HydrophobicContact CD2-CB 4Å; Y69-F81 HydrophobicContact CD2-CD2 4.27Å; Y69-F81 HydrophobicContact CD2-CG 4.41Å; Y69-F81 HydrophobicContact CE1-CB 3.56Å; Y69-F81 HydrophobicContact CE2-CB 3.5Å; Y69-F81 VanDerWaalsContact CE2-CB 3.5Å; Y69-F81 AromaticContact CE2-CD2 3.89Å; Y69-F81 HydrophobicContact CE2-CD2 3.89Å; Y69-F81 AromaticContact CE2-CG 3.74Å; Y69-F81 HydrophobicContact CE2-CG 3.74Å; Y69-F81 HydrophobicContact CG-CB 4.25Å; Y69-F81 AromaticContact CZ-CG 3.85Å; Y69-F81 PolarHBondContact N-O 3.39Å; Y69-F81 PolarHBondContact O-N 3.22Å; D72-F81 WeakPolarHBondContact O-CZ 3.49Å; F81-S182 WeakPolarHBondContact CA-O 3.43Å; F81-E183 HydrophobicContact CD1-CB 3.8Å; F81-E183 HydrophobicContact CD1-CG 4.38Å; F81-E183 HydrophobicContact CE1-CB 3.54Å; F81-E183 HydrophobicContact CE1-CG 4.02Å; F81-E183 HydrophobicContact CE2-CG 4.46Å; F81-E183 HydrophobicContact CZ-CB 4.08Å; F81-E183 HydrophobicContact CZ-CG 4.04Å
82	A	97.8	Very high	94.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.3	173.9	0	0	0	0	0	110.8	E84 L86 I178 N181 S182 L184	A82-E84 VanDerWaalsContact C-N 3.29Å; A82-E84 WeakPolarHBondContact CB-O 3.29Å; A82-L86 HydrophobicContact CB-CD1 3.77Å; A82-L86 HydrophobicContact CB-CG 4.14Å; A82-I178 HydrophobicContact CB-CG2 4.26Å; A82-N181 WeakPolarHBondContact O-CA 3.3Å; A82-N181 PolarHBondContact O-N 2.72Å; A82-S182 PolarHBondContact N-O 3.04Å; A82-L184 HydrophobicContact CB-CD2 4.46Å
83	A	97.5	Very high	94	Very high	27 Å²	27	51.7 Å²	51.7	22%	0.223	30%	0.296	C	S	.	.	S	Bend	trans	-83.7	-8.1	176	0	0	0	0	0	113.4	D67 Y69 K180	D67-A83 HydrophobicContact CB-CB 3.71Å; D67-A83 VanDerWaalsContact O-CB 3.22Å; D67-A83 WeakPolarHBondContact O-CB 3.4Å; D67-A83 PolarHBondContact O-N 3.31Å; Y69-A83 HydrophobicContact CD1-CB 4.02Å; A83-K180 WeakPolarHBondContact O-CD 3.12Å; A83-K180 WeakPolarHBondContact O-CE 3.32Å; A83-K180 WeakPolarHBondContact O-CG 3.44Å; A83-K180 PolarHBondContact O-NZ 2.98Å
84	E	97.1	Very high	93.8	Very high	71 Å²	71	52.6 Å²	52.6	33%	0.332	30%	0.299	S	S	.	.	S	Bend	trans	-141.3	169.3	-179.3	63.8	-175.6	154.9	0	0	110.9	K66 D67 A82 L86 K180	K66-E84 WeakPolarHBondContact CA-OE1 3.34Å; K66-E84 WeakPolarHBondContact CB-OE1 3.17Å; K66-E84 WeakPolarHBondContact CD-OE1 3.3Å; D67-E84 PolarHBondContact N-OE1 2.95Å; D67-E84 VanDerWaalsContact N-OE1 3.13Å; A82-E84 VanDerWaalsContact C-N 3.29Å; A82-E84 WeakPolarHBondContact CB-O 3.29Å; E84-L86 HydrophobicContact CG-CD2 4.02Å; E84-K180 WeakPolarHBondContact O-CA 3.32Å
85	D	97.9	Very high	93.9	Very high	84 Å²	84	45.4 Å²	45.4	45%	0.449	26%	0.26	S	S	.	.			trans	-73	134.4	172.2	-84.1	7.9	0	0	0	109.4	I178 K179 K180	D85-I178 WeakPolarHBondContact CA-O 3.39Å; D85-K179 WeakPolarHBondContact OD1-CA 3.46Å; D85-K179 IonicContact OD2-NZ 3.66Å; D85-K179 PolarHBondContact OD2-NZ 2.83Å; D85-K180 PolarHBondContact OD1-N 3.3Å
86	L	96.5	Very high	94.1	Very high	4 Å²	4	42 Å²	42	2%	0.021	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-113.3	138.9	178.4	-48.7	172	0	0	0	110.4	K66 A82 E84 I92 S177 I178 L184	K66-L86 HydrophobicContact CB-CD2 3.77Å; K66-L86 HydrophobicContact CD-CD2 3.62Å; K66-L86 HydrophobicContact CG-CD2 3.58Å; A82-L86 HydrophobicContact CB-CD1 3.77Å; A82-L86 HydrophobicContact CB-CG 4.14Å; E84-L86 HydrophobicContact CG-CD2 4.02Å; L86-I92 HydrophobicContact CD1-CD1 4.04Å; L86-I92 HydrophobicContact CD1-CG1 4.13Å; L86-S177 CarbonylContact O-C 3.52Å; L86-S177 WeakPolarHBondContact O-CA 3.41Å; L86-I178 HydrophobicContact CB-CB 4.06Å; L86-I178 HydrophobicContact CD1-CB 4.12Å; L86-I178 HydrophobicContact CD1-CD1 4.04Å; L86-I178 HydrophobicContact CD1-CG2 4.41Å; L86-I178 HydrophobicContact CG-CB 4.37Å; L86-I178 PolarHBondContact N-O 3.23Å; L86-I178 PolarHBondContact O-N 3.12Å; L86-L184 HydrophobicContact CD1-CD2 4.2Å
87	E	95.8	Very high	94.4	Very high	143 Å²	143	36.4 Å²	36.4	67%	0.668	22%	0.223	S	C	*	.			trans	-93	159.2	175.5	-64.5	-167.9	170.1	0	0	112	G89 D90 A174	E87-G89 PolarHBondContact O-N 3.25Å; E87-D90 PolarHBondContact N-OD2 2.78Å; E87-D90 VanDerWaalsContact O-CB 3.28Å; E87-D90 WeakPolarHBondContact O-CB 3.21Å; E87-D90 PolarHBondContact O-N 3.43Å; E87-D90 VanDerWaalsContact O-N 3.08Å; E87-A174 WeakPolarHBondContact O-CB 3.49Å
88	V	94.4	Very high	94.5	Very high	95 Å²	95	36.5 Å²	36.5	58%	0.576	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	129.3	175.7	-177.8	0	0	0	0	109.8	D90	V88-D90 VanDerWaalsContact C-N 3.29Å
89	G	90.4	Very high	94.3	Very high	47 Å²	47	37.5 Å²	37.5	49%	0.485	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-2.3	179.8	0	0	0	0	0	114.5	E87 F91 A174	E87-G89 PolarHBondContact O-N 3.25Å; G89-F91 PolarHBondContact O-N 3.08Å; G89-A174 WeakPolarHBondContact CA-O 3.47Å; G89-A174 PolarHBondContact N-O 3.2Å
90	D	91.1	Very high	94	Very high	37 Å²	37	38.1 Å²	38.1	20%	0.198	22%	0.219	C	C	.	.			trans	-56.6	133.1	171.8	-92.3	-24.4	0	0	0	110.1	K66 E87 V88 Y173 A174	K66-D90 WeakPolarHBondContact CE-OD2 3.26Å; K66-D90 IonicContact NZ-OD1 2.77Å; K66-D90 PolarHBondContact NZ-OD1 3.28Å; K66-D90 IonicContact NZ-OD2 2.71Å; K66-D90 PolarHBondContact NZ-OD2 2.97Å; E87-D90 PolarHBondContact N-OD2 2.78Å; E87-D90 VanDerWaalsContact O-CB 3.28Å; E87-D90 WeakPolarHBondContact O-CB 3.21Å; E87-D90 PolarHBondContact O-N 3.43Å; E87-D90 VanDerWaalsContact O-N 3.08Å; V88-D90 VanDerWaalsContact C-N 3.29Å; D90-Y173 CarbonylContact O-C 3.58Å; D90-Y173 WeakPolarHBondContact O-CA 3.42Å; D90-A174 HydrophobicContact CB-CB 4.36Å; D90-A174 PolarHBondContact O-N 3.2Å
91	F	91.3	Very high	93.6	Very high	13 Å²	13	41.8 Å²	41.8	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.7	161.1	169.4	-100.6	0	0	0	108.9	T60 L61 N64 T65 K66 G89 C93 Y173	T60-F91 HydrophobicContact CG2-CB 3.16Å; T60-F91 HydrophobicContact CG2-CD1 3.05Å; T60-F91 HydrophobicContact CG2-CD2 3.82Å; T60-F91 HydrophobicContact CG2-CE1 3.74Å; T60-F91 HydrophobicContact CG2-CE2 4.41Å; T60-F91 HydrophobicContact CG2-CG 3.05Å; T60-F91 HydrophobicContact CG2-CZ 4.37Å; T60-F91 WeakPolarHBondContact O-CE1 3.5Å; L61-F91 HydrophobicContact CD2-CE2 3.39Å; L61-F91 HydrophobicContact CD2-CZ 3.58Å; L61-F91 HydrophobicContact CG-CE2 3.91Å; L61-F91 HydrophobicContact CG-CZ 4.08Å; N64-F91 WeakPolarHBondContact O-CD1 3.37Å; T65-F91 HydrophobicContact CG2-CE1 3.96Å; T65-F91 HydrophobicContact CG2-CZ 4.44Å; K66-F91 VanDerWaalsContact CG-O 3.27Å; K66-F91 WeakPolarHBondContact CG-O 3.44Å; G89-F91 PolarHBondContact O-N 3.08Å; F91-C93 VanDerWaalsContact CE2-C 3.44Å; F91-C93 WeakPolarHBondContact CE2-O 3.35Å; F91-Y173 HydrophobicContact CB-CD1 3.97Å; F91-Y173 HydrophobicContact CB-CE1 3.71Å; F91-Y173 HydrophobicContact CD2-CE1 4.01Å; F91-Y173 HydrophobicContact CD2-CE2 4.16Å; F91-Y173 AromaticContact CD2-CZ 3.79Å; F91-Y173 HydrophobicContact CG-CE1 4.36Å
92	I	93.4	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-64.9	-177	-57.6	178.1	0	0	0	109.2	T65 K66 L68 L86 C157 I172 A174 I178 L184	T65-I92 CarbonylContact C-O 3.53Å; T65-I92 WeakPolarHBondContact CA-O 3.27Å; K66-I92 PolarHBondContact N-O 2.59Å; L68-I92 HydrophobicContact CD1-CG2 3.97Å; L68-I92 HydrophobicContact CD2-CG2 3.83Å; L68-I92 HydrophobicContact CG-CG2 4.38Å; L86-I92 HydrophobicContact CD1-CD1 4.04Å; L86-I92 HydrophobicContact CD1-CG1 4.13Å; I92-C157 HydrophobicContact CD1-CB 3.79Å; I92-I172 HydrophobicContact CB-CG2 4.48Å; I92-I172 HydrophobicContact CD1-CG2 4.3Å; I92-I172 PolarHBondContact N-O 3.3Å; I92-A174 HydrophobicContact CD1-CB 4.08Å; I92-A174 HydrophobicContact CG1-CB 4.41Å; I92-I178 HydrophobicContact CD1-CD1 4.31Å; I92-L184 HydrophobicContact CD1-CD1 4.36Å; I92-L184 HydrophobicContact CD1-CD2 4.32Å; I92-L184 HydrophobicContact CG2-CD1 3.8Å
93	C	92.3	Very high	92.8	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.034	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	169.1	-178.7	60.8	0	0	0	0	111.1	T65 L68 F91 I172	T65-C93 HydrophobicContact CG2-CB 4.34Å; L68-C93 HydrophobicContact CD1-CB 4.04Å; F91-C93 VanDerWaalsContact CE2-C 3.44Å; F91-C93 WeakPolarHBondContact CE2-O 3.35Å; C93-I172 WeakPolarHBondContact O-CB 3.19Å; C93-I172 PolarHBondContact O-N 3.06Å
94	E	91.4	Very high	92.5	Very high	35 Å²	35	48.9 Å²	48.9	16%	0.164	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.7	167.1	-175	-175.1	-169.6	0	0	110.2	L61 A96 N144 A146 R169 I170	L61-E94 HydrophobicContact CD2-CB 3.87Å; L61-E94 HydrophobicContact CD2-CG 4.01Å; E94-A96 HydrophobicContact CG-CB 4.46Å; E94-A96 PolarHBondContact O-N 2.79Å; E94-N144 PolarHBondContact O-ND2 3.34Å; E94-N144 PolarHBondContact O-OD1 3.01Å; E94-A146 WeakPolarHBondContact O-CB 3.28Å; E94-R169 IonicContact OE1-CZ 2.76Å; E94-R169 IonicContact OE1-NE 3.49Å; E94-R169 PolarHBondContact OE1-NE 2.96Å; E94-R169 IonicContact OE1-NH2 3.57Å; E94-R169 PolarHBondContact OE1-NH2 3.12Å; E94-R169 IonicContact OE2-CZ 2.78Å; E94-R169 VanDerWaalsContact OE2-CZ 3.29Å; E94-R169 IonicContact OE2-NE 3.56Å; E94-R169 IonicContact OE2-NH2 3.85Å; E94-R169 PolarHBondContact OE2-NH2 3.24Å; E94-I170 CarbonylContact C-O 3.56Å; E94-I170 VanDerWaalsContact CA-O 3.28Å; E94-I170 WeakPolarHBondContact CA-O 3.1Å; E94-I170 VanDerWaalsContact CG-O 3.26Å; E94-I170 WeakPolarHBondContact CG-O 2.96Å
95	Y	92.1	Very high	92.3	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	97	160.6	-165.8	-81.7	0	0	0	108.9	Y119 F121 I137 A139 A146 I170 F186	Y95-Y119 PolarHBondContact OH-O 2.81Å; Y95-F121 HydrophobicContact CD1-CB 4.08Å; Y95-F121 HydrophobicContact CD1-CD2 4.26Å; Y95-F121 HydrophobicContact CD1-CG 4.41Å; Y95-F121 HydrophobicContact CD2-CD2 4.37Å; Y95-F121 HydrophobicContact CE1-CB 3.72Å; Y95-F121 HydrophobicContact CE1-CD2 4.28Å; Y95-F121 HydrophobicContact CE1-CG 4.39Å; Y95-F121 HydrophobicContact CE2-CD2 4.36Å; Y95-F121 HydrophobicContact CG-CD2 4.32Å; Y95-I137 HydrophobicContact CD1-CG2 3.9Å; Y95-I137 HydrophobicContact CE1-CG2 4.05Å; Y95-A139 HydrophobicContact CE1-CB 3.83Å; Y95-A146 HydrophobicContact CD2-CB 4.04Å; Y95-I170 PolarHBondContact N-O 3.36Å; Y95-F186 HydrophobicContact CD2-CE1 4.4Å; Y95-F186 HydrophobicContact CD2-CZ 4.43Å; Y95-F186 HydrophobicContact CE2-CE1 4.38Å; Y95-F186 HydrophobicContact CE2-CZ 4.15Å
96	A	91.9	Very high	92	Very high	23 Å²	23	47 Å²	47	19%	0.19	28%	0.276	C	S	.	.			trans	-97	144.4	-174.3	0	0	0	0	0	111.8	E94 A139 G143 N144	E94-A96 HydrophobicContact CG-CB 4.46Å; E94-A96 PolarHBondContact O-N 2.79Å; A96-A139 WeakPolarHBondContact O-CB 3.33Å; A96-G143 WeakPolarHBondContact O-CA 3.47Å; A96-N144 HydrophobicContact CB-CB 4.34Å; A96-N144 PolarHBondContact N-OD1 2.89Å
97	G	92.8	Very high	91.9	Very high	28 Å²	28	53.2 Å²	53.2	29%	0.289	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-167.1	170.6	0	0	0	0	0	113.2	F142	G97-F142 WeakPolarHBondContact CA-O 3.25Å
98	E	93.3	Very high	91.8	Very high	49 Å²	49	47.5 Å²	47.5	23%	0.229	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.7	175.5	-65.1	-179.9	96.6	0	0	110.4	I100 R108 I137 D138 F142	E98-I100 HydrophobicContact CB-CG2 4.11Å; E98-I100 PolarHBondContact O-N 2.82Å; E98-R108 IonicContact OE1-NH1 3.46Å; E98-R108 IonicContact OE1-NH2 2.7Å; E98-R108 IonicContact OE2-CZ 2.78Å; E98-R108 IonicContact OE2-NH1 3.82Å; E98-R108 PolarHBondContact OE2-NH1 2.87Å; E98-R108 IonicContact OE2-NH2 3.56Å; E98-I137 CarbonylContact O-C 3.01Å; E98-I137 WeakPolarHBondContact O-CA 3.4Å; E98-D138 HydrophobicContact CB-CB 4.45Å; E98-D138 PolarHBondContact N-O 3.15Å; E98-D138 PolarHBondContact O-N 2.12Å; E98-F142 HydrophobicContact CG-CB 4.27Å; E98-F142 HydrophobicContact CG-CD2 3.65Å; E98-F142 HydrophobicContact CG-CG 4.43Å
99	I	90.4	Very high	91.6	Very high	99 Å²	99	43.4 Å²	43.4	51%	0.508	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.4	169.1	-58.2	173.9	0	0	0	108	F135 D136 I137	I99-F135 HydrophobicContact CG2-CB 4.03Å; I99-F135 HydrophobicContact CG2-CD1 4.04Å; I99-F135 HydrophobicContact CG2-CG 4.24Å; I99-D136 WeakPolarHBondContact CA-O 3.2Å; I99-I137 HydrophobicContact CG1-CG1 4.38Å
100	I	90.5	Very high	91.6	Very high	13 Å²	13	48.5 Å²	48.5	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.3	-179.4	63.3	173.7	0	0	0	111	E98 E104 A105 L120 F135 D136 D138	E98-I100 HydrophobicContact CB-CG2 4.11Å; E98-I100 PolarHBondContact O-N 2.82Å; I100-E104 HydrophobicContact CB-CB 4.21Å; I100-E104 HydrophobicContact CB-CG 4.01Å; I100-E104 HydrophobicContact CD1-CG 4.24Å; I100-E104 HydrophobicContact CG2-CG 4.19Å; I100-A105 HydrophobicContact CD1-CB 3.81Å; I100-A105 HydrophobicContact CG1-CB 4.23Å; I100-L120 HydrophobicContact CD1-CD2 3.77Å; I100-F135 WeakPolarHBondContact O-CA 3.23Å; I100-D136 HydrophobicContact CD1-CB 4.5Å; I100-D136 HydrophobicContact CG1-CB 3.96Å; I100-D136 WeakPolarHBondContact CG1-O 3.36Å; I100-D136 PolarHBondContact N-O 2.71Å; I100-D136 PolarHBondContact O-N 2.92Å; I100-D138 HydrophobicContact CD1-CB 3.78Å; I100-D138 HydrophobicContact CG1-CB 4.32Å
101	T	89.9	Confident	91.5	Very high	76 Å²	76	52.1 Å²	52.1	47%	0.466	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	157.4	173.5	60.1	0	0	0	0	110.3	A103 E104 A105 F135	T101-A103 VanDerWaalsContact C-N 3.27Å; T101-A103 PolarHBondContact O-N 2.89Å; T101-E104 PolarHBondContact O-N 2.78Å; T101-E104 PolarHBondContact OG1-N 3.07Å; T101-A105 PolarHBondContact O-N 2.8Å; T101-F135 HydrophobicContact CG2-CE1 4.37Å
102	Q	87.7	Confident	91.5	Very high	72 Å²	72	52.5 Å²	52.5	34%	0.336	28%	0.276	S	S	.	.	H	α-helix	trans	-55.5	-40.5	175.8	-171.6	158.5	36.4	0	0	112.9	E104 A105 D106 N134	Q102-E104 VanDerWaalsContact C-N 3.31Å; Q102-E104 PolarHBondContact O-N 3.03Å; Q102-A105 WeakPolarHBondContact O-CB 3.2Å; Q102-A105 PolarHBondContact O-N 2.8Å; Q102-A105 VanDerWaalsContact O-N 3.15Å; Q102-D106 VanDerWaalsContact O-CG 3.29Å; Q102-D106 PolarHBondContact O-N 2.82Å; Q102-N134 PolarHBondContact OE1-ND2 2.89Å
103	A	90.2	Very high	91.2	Very high	74 Å²	74	58.6 Å²	58.6	61%	0.612	31%	0.308	S	S	*	.	H	α-helix	trans	-62.5	-36.3	176.2	0	0	0	0	0	113.1	T101 R107	T101-A103 VanDerWaalsContact C-N 3.27Å; T101-A103 PolarHBondContact O-N 2.89Å; A103-R107 WeakPolarHBondContact O-CB 3.43Å; A103-R107 PolarHBondContact O-N 2.81Å; A103-R107 VanDerWaalsContact O-N 3.1Å
104	E	92.8	Very high	90.9	Very high	49 Å²	49	68.2 Å²	68.2	23%	0.229	35%	0.345	C	S	.	.	H	α-helix	trans	-74.4	-35.1	174.6	178.7	60.4	-170.4	0	0	111.3	I100 T101 Q102 R107 R108	I100-E104 HydrophobicContact CB-CB 4.21Å; I100-E104 HydrophobicContact CB-CG 4.01Å; I100-E104 HydrophobicContact CD1-CG 4.24Å; I100-E104 HydrophobicContact CG2-CG 4.19Å; T101-E104 PolarHBondContact O-N 2.78Å; T101-E104 PolarHBondContact OG1-N 3.07Å; Q102-E104 VanDerWaalsContact C-N 3.31Å; Q102-E104 PolarHBondContact O-N 3.03Å; E104-R107 PolarHBondContact O-N 2.84Å; E104-R107 IonicContact OE1-CZ 3.6Å; E104-R107 IonicContact OE1-NE 3.29Å; E104-R107 IonicContact OE1-NH2 3.57Å; E104-R107 PolarHBondContact OE1-NH2 3.22Å; E104-R107 IonicContact OE2-CZ 3.96Å; E104-R107 IonicContact OE2-NE 2.72Å; E104-R107 PolarHBondContact OE2-NE 2.91Å; E104-R107 IonicContact OE2-NH2 3.7Å; E104-R107 PolarHBondContact OE2-NH2 3.12Å; E104-R108 HydrophobicContact CG-CG 4.43Å; E104-R108 WeakPolarHBondContact O-CB 3.26Å; E104-R108 VanDerWaalsContact O-CG 3.3Å; E104-R108 WeakPolarHBondContact O-CG 3.26Å; E104-R108 PolarHBondContact O-N 3.43Å; E104-R108 IonicContact OE1-CZ 2.74Å; E104-R108 IonicContact OE1-NE 2.78Å; E104-R108 PolarHBondContact OE1-NE 3.38Å; E104-R108 IonicContact OE1-NH2 3.72Å
105	A	91.9	Very high	90.7	Very high	4 Å²	4	70.9 Å²	70.9	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-45	173.1	0	0	0	0	0	111.2	I100 T101 Q102 R108 G109 L120 D136	I100-A105 HydrophobicContact CD1-CB 3.81Å; I100-A105 HydrophobicContact CG1-CB 4.23Å; T101-A105 PolarHBondContact O-N 2.8Å; Q102-A105 WeakPolarHBondContact O-CB 3.2Å; Q102-A105 PolarHBondContact O-N 2.8Å; Q102-A105 VanDerWaalsContact O-N 3.15Å; A105-R108 PolarHBondContact O-N 3.26Å; A105-G109 WeakPolarHBondContact O-CA 3.09Å; A105-G109 PolarHBondContact O-N 3.45Å; A105-L120 HydrophobicContact CB-CD1 4.44Å; A105-L120 HydrophobicContact CB-CD2 4.31Å; A105-D136 HydrophobicContact CB-CB 3.78Å
106	D	91	Very high	90.2	Very high	112 Å²	112	73.6 Å²	73.6	60%	0.599	40%	0.395	S	S	*	.	H	α-helix	trans	-62.6	-45.2	175.6	-67.1	-25.3	0	0	0	111.3	Q102 R108 G109 F110	Q102-D106 VanDerWaalsContact O-CG 3.29Å; Q102-D106 PolarHBondContact O-N 2.82Å; D106-R108 PolarHBondContact O-N 3.28Å; D106-G109 PolarHBondContact O-N 3.1Å; D106-F110 PolarHBondContact O-N 3.15Å; D106-F110 VanDerWaalsContact O-N 3.12Å
107	R	94.5	Very high	89.7	Confident	135 Å²	135	78.9 Å²	78.9	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-42.6	178.4	-167	-163.4	68.3	71.3	2.9	112	A103 E104	A103-R107 WeakPolarHBondContact O-CB 3.43Å; A103-R107 PolarHBondContact O-N 2.81Å; A103-R107 VanDerWaalsContact O-N 3.1Å; E104-R107 PolarHBondContact O-N 2.84Å; E104-R107 IonicContact OE1-CZ 3.6Å; E104-R107 IonicContact OE1-NE 3.29Å; E104-R107 IonicContact OE1-NH2 3.57Å; E104-R107 PolarHBondContact OE1-NH2 3.22Å; E104-R107 IonicContact OE2-CZ 3.96Å; E104-R107 IonicContact OE2-NE 2.72Å; E104-R107 PolarHBondContact OE2-NE 2.91Å; E104-R107 IonicContact OE2-NH2 3.7Å; E104-R107 PolarHBondContact OE2-NH2 3.12Å
108	R	94.3	Very high	89.3	Confident	22 Å²	22	80.1 Å²	80.1	8%	0.083	42%	0.418	C	S	.	.	H	α-helix	trans	-73.1	-39.5	176.3	-69.3	-177.1	-173.9	-159.9	4.1	111.5	E98 E104 A105 D106 F110 M111 Y112 D138	E98-R108 IonicContact OE1-NH1 3.46Å; E98-R108 IonicContact OE1-NH2 2.7Å; E98-R108 IonicContact OE2-CZ 2.78Å; E98-R108 IonicContact OE2-NH1 3.82Å; E98-R108 PolarHBondContact OE2-NH1 2.87Å; E98-R108 IonicContact OE2-NH2 3.56Å; E104-R108 HydrophobicContact CG-CG 4.43Å; E104-R108 WeakPolarHBondContact O-CB 3.26Å; E104-R108 VanDerWaalsContact O-CG 3.3Å; E104-R108 WeakPolarHBondContact O-CG 3.26Å; E104-R108 PolarHBondContact O-N 3.43Å; E104-R108 IonicContact OE1-CZ 2.74Å; E104-R108 IonicContact OE1-NE 2.78Å; E104-R108 PolarHBondContact OE1-NE 3.38Å; E104-R108 IonicContact OE1-NH2 3.72Å; A105-R108 PolarHBondContact O-N 3.26Å; D106-R108 PolarHBondContact O-N 3.28Å; R108-F110 VanDerWaalsContact C-N 3.27Å; R108-F110 PolarHBondContact O-N 2.78Å; R108-M111 WeakPolarHBondContact O-CB 3.47Å; R108-M111 PolarHBondContact O-N 2.9Å; R108-Y112 HydrophobicContact CB-CD2 4.22Å; R108-Y112 HydrophobicContact CB-CE2 3.66Å; R108-Y112 PolarHBondContact O-N 3.06Å; R108-D138 WeakPolarHBondContact CD-OD2 3.45Å; R108-D138 IonicContact CZ-OD2 3.24Å; R108-D138 IonicContact NE-OD2 3.64Å; R108-D138 IonicContact NH1-OD2 3.75Å; R108-D138 PolarHBondContact NH1-OD2 3.4Å
109	G	90.4	Very high	89.1	Confident	9 Å²	9	79.8 Å²	79.8	9%	0.093	42%	0.415	C	S	.	.	H	α-helix	trans	-53.6	-42.5	178.7	0	0	0	0	0	112.1	A105 D106 M111 Y112 D113	A105-G109 WeakPolarHBondContact O-CA 3.09Å; A105-G109 PolarHBondContact O-N 3.45Å; D106-G109 PolarHBondContact O-N 3.1Å; G109-M111 VanDerWaalsContact C-N 3.27Å; G109-M111 PolarHBondContact O-N 2.85Å; G109-Y112 PolarHBondContact O-N 3.28Å; G109-D113 WeakPolarHBondContact O-CB 3.23Å; G109-D113 VanDerWaalsContact O-CG 3.26Å; G109-D113 PolarHBondContact O-N 3.19Å
110	F	89.6	Confident	89	Confident	154 Å²	154	77.2 Å²	77.2	68%	0.675	40%	0.402	S	S	*	.	H	α-helix	trans	-54.5	-41	174.1	-176.8	-94.5	0	0	0	113.5	D106 R108	D106-F110 PolarHBondContact O-N 3.15Å; D106-F110 VanDerWaalsContact O-N 3.12Å; R108-F110 VanDerWaalsContact C-N 3.27Å; R108-F110 PolarHBondContact O-N 2.78Å
111	M	89.8	Confident	88.9	Confident	113 Å²	113	77.9 Å²	77.9	56%	0.557	41%	0.405	S	S	*	.	H	α-helix	trans	-76.2	-35.9	177	-61.8	-65.2	-77	0	0	111.6	R108 G109 Y114 T115	R108-M111 WeakPolarHBondContact O-CB 3.47Å; R108-M111 PolarHBondContact O-N 2.9Å; G109-M111 VanDerWaalsContact C-N 3.27Å; G109-M111 PolarHBondContact O-N 2.85Å; M111-Y114 WeakPolarHBondContact O-CB 3.41Å; M111-Y114 PolarHBondContact O-N 3.26Å; M111-T115 WeakPolarHBondContact O-CG2 3.44Å; M111-T115 PolarHBondContact O-N 3.01Å; M111-T115 VanDerWaalsContact O-N 3.12Å; M111-T115 PolarHBondContact O-OG1 3.13Å
112	Y	91.3	Very high	88.6	Confident	22 Å²	22	76 Å²	76	9%	0.086	39%	0.394	C	S	.	.	H	α-helix	trans	-66.5	-39.8	179.1	-64.1	-18.8	0	0	0	112.2	R108 G109 Y114 T115 G116 K117 L120 D138 T140	R108-Y112 HydrophobicContact CB-CD2 4.22Å; R108-Y112 HydrophobicContact CB-CE2 3.66Å; R108-Y112 PolarHBondContact O-N 3.06Å; G109-Y112 PolarHBondContact O-N 3.28Å; Y112-Y114 VanDerWaalsContact C-N 3.29Å; Y112-Y114 PolarHBondContact O-N 3.22Å; Y112-T115 WeakPolarHBondContact CA-OG1 3.45Å; Y112-T115 CarbonylContact O-C 3.6Å; Y112-T115 PolarHBondContact O-N 3.05Å; Y112-T115 VanDerWaalsContact O-N 3.11Å; Y112-T115 PolarHBondContact O-OG1 2.9Å; Y112-G116 PolarHBondContact O-N 2.78Å; Y112-K117 WeakPolarHBondContact CB-O 3.48Å; Y112-K117 PolarHBondContact O-N 2.86Å; Y112-L120 HydrophobicContact CD2-CD1 3.92Å; Y112-L120 HydrophobicContact CD2-CG 4.09Å; Y112-L120 HydrophobicContact CE2-CD1 4.21Å; Y112-L120 HydrophobicContact CE2-CD2 4.29Å; Y112-L120 HydrophobicContact CE2-CG 4.08Å; Y112-D138 PolarHBondContact OH-OD2 3.45Å; Y112-T140 HydrophobicContact CE1-CG2 3.86Å; Y112-T140 WeakPolarHBondContact OH-CB 3.43Å
113	D	86.9	Confident	88	Confident	128 Å²	128	72.7 Å²	72.7	68%	0.684	38%	0.378	S	S	*	.	H	α-helix	trans	-59	-41.5	173.3	-70.6	-18.6	0	0	0	111.3	G109 T115 G116	G109-D113 WeakPolarHBondContact O-CB 3.23Å; G109-D113 VanDerWaalsContact O-CG 3.26Å; G109-D113 PolarHBondContact O-N 3.19Å; D113-T115 PolarHBondContact O-N 3.44Å; D113-G116 PolarHBondContact O-N 2.61Å
114	Y	87	Confident	87.1	Confident	206 Å²	206	76.1 Å²	76.1	81%	0.808	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-38.3	175.2	-178.6	-99.2	0	0	0	112.6	M111 Y112	M111-Y114 WeakPolarHBondContact O-CB 3.41Å; M111-Y114 PolarHBondContact O-N 3.26Å; Y112-Y114 VanDerWaalsContact C-N 3.29Å; Y112-Y114 PolarHBondContact O-N 3.22Å
115	T	87.3	Confident	85.9	Confident	91 Å²	91	75.3 Å²	75.3	56%	0.558	37%	0.374	S	S	*	.	H	α-helix	trans	-83	-9.9	178.7	61.9	0	0	0	0	114.4	M111 Y112 D113 K117	M111-T115 WeakPolarHBondContact O-CG2 3.44Å; M111-T115 PolarHBondContact O-N 3.01Å; M111-T115 VanDerWaalsContact O-N 3.12Å; M111-T115 PolarHBondContact O-OG1 3.13Å; Y112-T115 WeakPolarHBondContact CA-OG1 3.45Å; Y112-T115 CarbonylContact O-C 3.6Å; Y112-T115 PolarHBondContact O-N 3.05Å; Y112-T115 VanDerWaalsContact O-N 3.11Å; Y112-T115 PolarHBondContact O-OG1 2.9Å; D113-T115 PolarHBondContact O-N 3.44Å; T115-K117 VanDerWaalsContact C-N 3.29Å; T115-K117 PolarHBondContact O-N 3.01Å
116	G	81.5	Confident	84.2	Confident	66 Å²	66	82 Å²	82	68%	0.68	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	18.3	-178.1	0	0	0	0	0	115	Y112 D113	Y112-G116 PolarHBondContact O-N 2.78Å; D113-G116 PolarHBondContact O-N 2.61Å
117	K	80.7	Confident	82.5	Confident	134 Å²	134	77.4 Å²	77.4	58%	0.583	38%	0.379	S	S	*	.			trans	-137.7	117.2	179.8	-66.7	-175.9	-178.4	179.8	0	110.5	Y112 T115 Y119	Y112-K117 WeakPolarHBondContact CB-O 3.48Å; Y112-K117 PolarHBondContact O-N 2.86Å; T115-K117 VanDerWaalsContact C-N 3.29Å; T115-K117 PolarHBondContact O-N 3.01Å; K117-Y119 HydrophobicContact CB-CE2 4.39Å
118	S	83.5	Confident	80.5	Confident	55 Å²	55	78.5 Å²	78.5	39%	0.385	38%	0.384	S	S	.	.			trans	-126.3	133.7	174.2	-179.3	0	0	0	0	110.3	L120	S118-L120 PolarHBondContact OG-N 3.48Å
119	Y	90.1	Very high	78.4	Confident	42 Å²	42	80.6 Å²	80.6	17%	0.165	40%	0.397	C	S	.	.			trans	-119.6	29.8	172.7	-57	-81.5	0	0	0	110.5	Y95 K117 A139 T140 R147 F148	Y95-Y119 PolarHBondContact OH-O 2.81Å; K117-Y119 HydrophobicContact CB-CE2 4.39Å; Y119-A139 PolarHBondContact O-N 3.37Å; Y119-T140 HydrophobicContact CD2-CG2 4.33Å; Y119-R147 HydrophobicContact CD1-CB 3.96Å; Y119-R147 HydrophobicContact CD1-CG 4.43Å; Y119-R147 WeakPolarHBondContact CD1-O 3.33Å; Y119-R147 VanDerWaalsContact CD2-NH2 3.34Å; Y119-R147 HydrophobicContact CE1-CB 4.44Å; Y119-R147 HydrophobicContact CE1-CG 4.46Å; Y119-R147 VanDerWaalsContact CE1-O 3.25Å; Y119-R147 WeakPolarHBondContact CE1-O 3.48Å; Y119-F148 HydrophobicContact CE1-CD1 4.5Å
120	L	88.8	Confident	76.7	Confident	45 Å²	45	83.5 Å²	83.5	24%	0.236	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.8	175.2	-69.3	172.2	0	0	0	109.9	I100 A105 Y112 S118 D136 I137 D138	I100-L120 HydrophobicContact CD1-CD2 3.77Å; A105-L120 HydrophobicContact CB-CD1 4.44Å; A105-L120 HydrophobicContact CB-CD2 4.31Å; Y112-L120 HydrophobicContact CD2-CD1 3.92Å; Y112-L120 HydrophobicContact CD2-CG 4.09Å; Y112-L120 HydrophobicContact CE2-CD1 4.21Å; Y112-L120 HydrophobicContact CE2-CD2 4.29Å; Y112-L120 HydrophobicContact CE2-CG 4.08Å; S118-L120 PolarHBondContact OG-N 3.48Å; L120-D136 HydrophobicContact CD2-CB 4.47Å; L120-I137 CarbonylContact C-O 3.5Å; L120-I137 WeakPolarHBondContact CA-O 3.31Å; L120-D138 HydrophobicContact CD2-CB 3.6Å
121	F	87.1	Confident	75	Confident	27 Å²	27	79.5 Å²	79.5	12%	0.118	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	112.9	174.7	-162.9	-55.5	0	0	0	109.5	Y95 D136 I137 P159 I170 F186	Y95-F121 HydrophobicContact CD1-CB 4.08Å; Y95-F121 HydrophobicContact CD1-CD2 4.26Å; Y95-F121 HydrophobicContact CD1-CG 4.41Å; Y95-F121 HydrophobicContact CD2-CD2 4.37Å; Y95-F121 HydrophobicContact CE1-CB 3.72Å; Y95-F121 HydrophobicContact CE1-CD2 4.28Å; Y95-F121 HydrophobicContact CE1-CG 4.39Å; Y95-F121 HydrophobicContact CE2-CD2 4.36Å; Y95-F121 HydrophobicContact CG-CD2 4.32Å; F121-D136 CarbonylContact O-C 3.53Å; F121-D136 WeakPolarHBondContact O-CA 3.37Å; F121-I137 HydrophobicContact CB-CB 4.47Å; F121-I137 PolarHBondContact N-O 3.2Å; F121-I137 PolarHBondContact O-N 3.05Å; F121-P159 HydrophobicContact CE1-CB 4.46Å; F121-P159 HydrophobicContact CE2-CB 3.72Å; F121-P159 HydrophobicContact CE2-CG 3.76Å; F121-P159 HydrophobicContact CZ-CB 3.43Å; F121-P159 VanDerWaalsContact CZ-CB 3.43Å; F121-P159 HydrophobicContact CZ-CG 3.36Å; F121-I170 HydrophobicContact CB-CD1 4.19Å; F121-I170 HydrophobicContact CD1-CD1 3.29Å; F121-I170 HydrophobicContact CD2-CD1 4.27Å; F121-I170 HydrophobicContact CE1-CD1 3.74Å; F121-I170 HydrophobicContact CG-CD1 3.64Å; F121-I170 HydrophobicContact CZ-CD1 4.39Å; F121-F186 HydrophobicContact CD2-CE2 4.23Å; F121-F186 HydrophobicContact CD2-CZ 4.2Å; F121-F186 HydrophobicContact CE2-CD2 4.43Å; F121-F186 AromaticContact CE2-CE2 3.68Å; F121-F186 HydrophobicContact CE2-CE2 3.68Å; F121-F186 AromaticContact CE2-CZ 3.97Å; F121-F186 HydrophobicContact CE2-CZ 3.97Å
122	C	83.3	Confident	73.2	Confident	35 Å²	35	82.3 Å²	82.3	24%	0.236	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.4	179.6	-166.9	0	0	0	0	112.2	Y124 D136	C122-Y124 HydrophobicContact CB-CE2 4.28Å; C122-D136 VanDerWaalsContact CA-OD1 3.31Å; C122-D136 WeakPolarHBondContact CA-OD1 3.28Å; C122-D136 WeakPolarHBondContact CB-OD1 3.44Å
123	I	77	Confident	71.8	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.015	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.3	172.4	-55.4	-178	0	0	0	108.7	I125 F135 I137 V161 I170	I123-I125 HydrophobicContact CG2-CD1 4.05Å; I123-I125 HydrophobicContact CG2-CG1 3.54Å; I123-I125 PolarHBondContact O-N 2.7Å; I123-F135 WeakPolarHBondContact CA-O 3.48Å; I123-F135 WeakPolarHBondContact CB-O 3.4Å; I123-F135 PolarHBondContact N-O 3.48Å; I123-F135 PolarHBondContact O-N 3.36Å; I123-I137 HydrophobicContact CD1-CD1 3.55Å; I123-I137 HydrophobicContact CD1-CG1 3.51Å; I123-I137 HydrophobicContact CG1-CG1 4.26Å; I123-V161 HydrophobicContact CG2-CB 4.42Å; I123-V161 HydrophobicContact CG2-CG1 3.68Å; I123-V161 HydrophobicContact CG2-CG2 3.8Å; I123-I170 HydrophobicContact CD1-CD1 3.97Å; I123-I170 HydrophobicContact CD1-CG1 3.9Å; I123-I170 HydrophobicContact CG1-CD1 3.74Å; I123-I170 HydrophobicContact CG1-CG1 4.03Å
124	Y	71	Confident	71.3	Confident	146 Å²	146	77.8 Å²	77.8	57%	0.573	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	103.9	167.8	-68.6	-79.2	0	0	0	109.9	C122 N134	C122-Y124 HydrophobicContact CB-CE2 4.28Å; Y124-N134 WeakPolarHBondContact CD1-OD1 3.4Å
125	I	66.1	Low	71.2	Confident	33 Å²	33	71.5 Å²	71.5	17%	0.169	37%	0.369	C	S	.	.			trans	-99.9	110.5	172.6	-56.7	173	0	0	0	107.9	I123 S127 F135 H168	I123-I125 HydrophobicContact CG2-CD1 4.05Å; I123-I125 HydrophobicContact CG2-CG1 3.54Å; I123-I125 PolarHBondContact O-N 2.7Å; I125-S127 PolarHBondContact O-N 2.92Å; I125-S127 VanDerWaalsContact O-N 3.12Å; I125-F135 HydrophobicContact CD1-CD2 4.02Å; I125-H168 HydrophobicContact CD1-CB 3.77Å; I125-H168 VanDerWaalsContact CD1-CG 3.49Å; I125-H168 WeakPolarHBondContact CD1-ND1 3.17Å; I125-H168 HydrophobicContact CG1-CB 4.33Å
126	F	58.1	Low	71.3	Confident	144 Å²	144	68 Å²	68	63%	0.632	35%	0.347	S	S	*	.			trans	-76	103.4	174.7	-161.2	-89.9	0	0	0	110.3	S18 Y128	S18-F126 PolarHBondContact OG-O 3.46Å; F126-Y128 HydrophobicContact CE1-CD1 4.32Å; F126-Y128 HydrophobicContact CE1-CD2 4.47Å; F126-Y128 HydrophobicContact CE1-CE1 4.07Å; F126-Y128 HydrophobicContact CE1-CE2 4.24Å
127	S	55.1	Low	71.8	Confident	16 Å²	16	65 Å²	65	11%	0.112	32%	0.316	C	S	.	.			trans	-120	121.7	173.2	169.7	0	0	0	0	109.1	S18 I125 L129 T130 P131	S18-S127 WeakPolarHBondContact OG-CA 3.41Å; I125-S127 PolarHBondContact O-N 2.92Å; I125-S127 VanDerWaalsContact O-N 3.12Å; S127-L129 PolarHBondContact O-N 2.68Å; S127-L129 PolarHBondContact OG-N 2.75Å; S127-T130 WeakPolarHBondContact CB-OG1 3.5Å; S127-T130 CarbonylContact O-C 3.52Å; S127-T130 PolarHBondContact O-N 3.38Å; S127-T130 PolarHBondContact OG-N 3.37Å; S127-T130 PolarHBondContact OG-OG1 3.26Å; S127-P131 WeakPolarHBondContact O-CA 3.33Å
128	Y	52.1	Low	72.4	Confident	157 Å²	157	58.7 Å²	58.7	62%	0.616	29%	0.288	S	S	*	.	S	Bend	trans	-62	-24.9	176.4	-72.1	-84.8	0	0	0	113.4	E16 S18 F126	E16-Y128 VanDerWaalsContact O-CB 3.23Å; E16-Y128 WeakPolarHBondContact O-CB 3.45Å; E16-Y128 WeakPolarHBondContact O-CD2 3.37Å; S18-Y128 VanDerWaalsContact CA-CD2 3.43Å; S18-Y128 VanDerWaalsContact CA-CE2 3.48Å; S18-Y128 VanDerWaalsContact N-CD2 3.34Å; S18-Y128 WeakPolarHBondContact OG-CD2 3.45Å; S18-Y128 PolarHBondContact OG-N 3.3Å; F126-Y128 HydrophobicContact CE1-CD1 4.32Å; F126-Y128 HydrophobicContact CE1-CD2 4.47Å; F126-Y128 HydrophobicContact CE1-CE1 4.07Å; F126-Y128 HydrophobicContact CE1-CE2 4.24Å
129	L	50.4	Low	72.9	Confident	67 Å²	67	56 Å²	56	35%	0.351	27%	0.269	S	S	.	.	S	Bend	trans	-82.6	-26.2	179.7	-79.8	147.1	0	0	0	112.3	F13 E16 S17 S127	F13-L129 HydrophobicContact CD1-CD1 3.99Å; F13-L129 HydrophobicContact CD2-CD1 3.28Å; F13-L129 HydrophobicContact CD2-CD2 3.99Å; F13-L129 HydrophobicContact CD2-CG 4.16Å; F13-L129 HydrophobicContact CE1-CD1 3.94Å; F13-L129 HydrophobicContact CE2-CB 3.96Å; F13-L129 HydrophobicContact CE2-CD1 3.25Å; F13-L129 HydrophobicContact CE2-CD2 3.76Å; F13-L129 HydrophobicContact CE2-CG 3.81Å; F13-L129 HydrophobicContact CG-CD1 3.67Å; F13-L129 HydrophobicContact CZ-CB 4.06Å; F13-L129 HydrophobicContact CZ-CD1 3.59Å; F13-L129 HydrophobicContact CZ-CG 4.27Å; F13-L129 WeakPolarHBondContact O-CD1 3.13Å; E16-L129 HydrophobicContact CB-CD1 3.87Å; E16-L129 HydrophobicContact CB-CG 4.45Å; S17-L129 WeakPolarHBondContact OG-CD1 3.38Å; S127-L129 PolarHBondContact O-N 2.68Å; S127-L129 PolarHBondContact OG-N 2.75Å
130	T	53	Low	73	Confident	69 Å²	69	55.7 Å²	55.7	42%	0.423	27%	0.272	S	S	.	.	S	Bend	trans	-135	72.4	174.3	55.8	0	0	0	0	108.5	S127 F132 A133	S127-T130 WeakPolarHBondContact CB-OG1 3.5Å; S127-T130 CarbonylContact O-C 3.52Å; S127-T130 PolarHBondContact O-N 3.38Å; S127-T130 PolarHBondContact OG-N 3.37Å; S127-T130 PolarHBondContact OG-OG1 3.26Å; T130-F132 PolarHBondContact O-N 3.02Å; T130-A133 HydrophobicContact CG2-CB 4.49Å; T130-A133 PolarHBondContact O-N 3.27Å; T130-A133 VanDerWaalsContact OG1-CB 3.28Å; T130-A133 WeakPolarHBondContact OG1-CB 3.42Å
131	P	54.4	Low	73.1	Confident	70 Å²	70	61.3 Å²	61.3	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-5.9	-174.6	21	-30.5	0	0	0	113.8	S127	S127-P131 WeakPolarHBondContact O-CA 3.33Å
132	F	53.4	Low	73.3	Confident	172 Å²	172	66.6 Å²	66.6	75%	0.754	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	12.5	178.7	-53.4	-73.6	0	0	0	113.8	T130 N134	T130-F132 PolarHBondContact O-N 3.02Å; F132-N134 PolarHBondContact O-N 2.87Å
133	A	60.7	Low	73.7	Confident	24 Å²	24	66.9 Å²	66.9	20%	0.198	32%	0.322	C	S	.	.			trans	-75.1	79.8	175.1	0	0	0	0	0	110	T130 F135	T130-A133 HydrophobicContact CG2-CB 4.49Å; T130-A133 PolarHBondContact O-N 3.27Å; T130-A133 VanDerWaalsContact OG1-CB 3.28Å; T130-A133 WeakPolarHBondContact OG1-CB 3.42Å; A133-F135 HydrophobicContact CB-CE2 4.04Å
134	N	76.2	Confident	74.4	Confident	31 Å²	31	69.3 Å²	69.3	17%	0.166	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.1	166.2	-55	-42.7	0	0	0	107.7	Q102 Y124 F132	Q102-N134 PolarHBondContact OE1-ND2 2.89Å; Y124-N134 WeakPolarHBondContact CD1-OD1 3.4Å; F132-N134 PolarHBondContact O-N 2.87Å
135	F	85.9	Confident	75.5	Confident	75 Å²	75	66.3 Å²	66.3	33%	0.329	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	157.2	168.5	-64.9	-88.1	0	0	0	107.8	I99 I100 T101 I123 I125 A133	I99-F135 HydrophobicContact CG2-CB 4.03Å; I99-F135 HydrophobicContact CG2-CD1 4.04Å; I99-F135 HydrophobicContact CG2-CG 4.24Å; I100-F135 WeakPolarHBondContact O-CA 3.23Å; T101-F135 HydrophobicContact CG2-CE1 4.37Å; I123-F135 WeakPolarHBondContact CA-O 3.48Å; I123-F135 WeakPolarHBondContact CB-O 3.4Å; I123-F135 PolarHBondContact N-O 3.48Å; I123-F135 PolarHBondContact O-N 3.36Å; I125-F135 HydrophobicContact CD1-CD2 4.02Å; A133-F135 HydrophobicContact CB-CE2 4.04Å
136	D	89.6	Confident	76.8	Confident	16 Å²	16	64.8 Å²	64.8	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143.6	174.1	-70.7	-106.7	0	0	0	108.3	I99 I100 A105 L120 F121 C122	I99-D136 WeakPolarHBondContact CA-O 3.2Å; I100-D136 HydrophobicContact CD1-CB 4.5Å; I100-D136 HydrophobicContact CG1-CB 3.96Å; I100-D136 WeakPolarHBondContact CG1-O 3.36Å; I100-D136 PolarHBondContact N-O 2.71Å; I100-D136 PolarHBondContact O-N 2.92Å; A105-D136 HydrophobicContact CB-CB 3.78Å; L120-D136 HydrophobicContact CD2-CB 4.47Å; F121-D136 CarbonylContact O-C 3.53Å; F121-D136 WeakPolarHBondContact O-CA 3.37Å; C122-D136 VanDerWaalsContact CA-OD1 3.31Å; C122-D136 WeakPolarHBondContact CA-OD1 3.28Å; C122-D136 WeakPolarHBondContact CB-OD1 3.44Å
137	I	91.3	Very high	78.5	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.1	162.4	-69.6	-175	0	0	0	107.5	Y95 E98 I99 L120 F121 I123 I170	Y95-I137 HydrophobicContact CD1-CG2 3.9Å; Y95-I137 HydrophobicContact CE1-CG2 4.05Å; E98-I137 CarbonylContact O-C 3.01Å; E98-I137 WeakPolarHBondContact O-CA 3.4Å; I99-I137 HydrophobicContact CG1-CG1 4.38Å; L120-I137 CarbonylContact C-O 3.5Å; L120-I137 WeakPolarHBondContact CA-O 3.31Å; F121-I137 HydrophobicContact CB-CB 4.47Å; F121-I137 PolarHBondContact N-O 3.2Å; F121-I137 PolarHBondContact O-N 3.05Å; I123-I137 HydrophobicContact CD1-CD1 3.55Å; I123-I137 HydrophobicContact CD1-CG1 3.51Å; I123-I137 HydrophobicContact CG1-CG1 4.26Å; I137-I170 HydrophobicContact CD1-CD1 3.79Å; I137-I170 HydrophobicContact CD1-CG1 3.9Å; I137-I170 HydrophobicContact CG1-CD1 4.37Å
138	D	93.3	Very high	80.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	103.6	172.3	-174.3	-0	0	0	0	110.1	E98 I100 R108 Y112 L120 T140	E98-D138 HydrophobicContact CB-CB 4.45Å; E98-D138 PolarHBondContact N-O 3.15Å; E98-D138 PolarHBondContact O-N 2.12Å; I100-D138 HydrophobicContact CD1-CB 3.78Å; I100-D138 HydrophobicContact CG1-CB 4.32Å; R108-D138 WeakPolarHBondContact CD-OD2 3.45Å; R108-D138 IonicContact CZ-OD2 3.24Å; R108-D138 IonicContact NE-OD2 3.64Å; R108-D138 IonicContact NH1-OD2 3.75Å; R108-D138 PolarHBondContact NH1-OD2 3.4Å; Y112-D138 PolarHBondContact OH-OD2 3.45Å; L120-D138 HydrophobicContact CD2-CB 3.6Å; D138-T140 VanDerWaalsContact C-N 3.26Å; D138-T140 PolarHBondContact O-N 3.43Å; D138-T140 WeakPolarHBondContact OD1-CB 3.36Å; D138-T140 PolarHBondContact OD1-N 2.83Å; D138-T140 PolarHBondContact OD1-OG1 3.35Å
139	A	94	Very high	82.5	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	9.6	177.8	0	0	0	0	0	113.4	Y95 A96 Y119 F142 R147	Y95-A139 HydrophobicContact CE1-CB 3.83Å; A96-A139 WeakPolarHBondContact O-CB 3.33Å; Y119-A139 PolarHBondContact O-N 3.37Å; A139-F142 WeakPolarHBondContact CA-O 3.06Å; A139-R147 HydrophobicContact CB-CB 3.8Å; A139-R147 PolarHBondContact O-NE 2.83Å; A139-R147 PolarHBondContact O-NH1 3.41Å
140	T	92.3	Very high	84.6	Confident	35 Å²	35	51.8 Å²	51.8	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-48	-173.5	-56.7	0	0	0	0	112.2	Y112 Y119 D138 R147	Y112-T140 HydrophobicContact CE1-CG2 3.86Å; Y112-T140 WeakPolarHBondContact OH-CB 3.43Å; Y119-T140 HydrophobicContact CD2-CG2 4.33Å; D138-T140 VanDerWaalsContact C-N 3.26Å; D138-T140 PolarHBondContact O-N 3.43Å; D138-T140 WeakPolarHBondContact OD1-CB 3.36Å; D138-T140 PolarHBondContact OD1-N 2.83Å; D138-T140 PolarHBondContact OD1-OG1 3.35Å; T140-R147 PolarHBondContact O-NH1 3.43Å; T140-R147 PolarHBondContact O-NH2 2.89Å; T140-R147 VanDerWaalsContact O-NH2 3.08Å
141	R	90.1	Very high	86.5	Confident	163 Å²	163	52.6 Å²	52.6	62%	0.615	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	-47.7	-175.3	-61.4	-178.7	-178.1	-158	-2.4	112.5
142	F	91.6	Very high	88.3	Confident	137 Å²	137	50.6 Å²	50.6	60%	0.601	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	127	177.2	-56.5	-78.8	0	0	0	107	G97 E98 A139	G97-F142 WeakPolarHBondContact CA-O 3.25Å; E98-F142 HydrophobicContact CG-CB 4.27Å; E98-F142 HydrophobicContact CG-CD2 3.65Å; E98-F142 HydrophobicContact CG-CG 4.43Å; A139-F142 WeakPolarHBondContact CA-O 3.06Å
143	G	91.1	Very high	90.1	Very high	42 Å²	42	47.4 Å²	47.4	43%	0.433	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-179.1	179.7	0	0	0	0	0	110.7	A96	A96-G143 WeakPolarHBondContact O-CA 3.47Å
144	N	92.2	Very high	91.7	Very high	53 Å²	53	55 Å²	55	28%	0.283	27%	0.274	S	S	.	.			trans	-117.9	-174.1	174.8	64.8	-3.7	0	0	0	110.6	E94 A96 A146 R147	E94-N144 PolarHBondContact O-ND2 3.34Å; E94-N144 PolarHBondContact O-OD1 3.01Å; A96-N144 HydrophobicContact CB-CB 4.34Å; A96-N144 PolarHBondContact N-OD1 2.89Å; N144-A146 PolarHBondContact O-N 3.07Å; N144-A146 VanDerWaalsContact O-N 3.12Å; N144-A146 VanDerWaalsContact OD1-CB 3.3Å; N144-A146 WeakPolarHBondContact OD1-CB 3.3Å; N144-A146 PolarHBondContact OD1-N 3.22Å; N144-R147 WeakPolarHBondContact O-CG 2.98Å; N144-R147 PolarHBondContact O-N 2.95Å
145	E	93.8	Very high	92.6	Very high	84 Å²	84	55.6 Å²	55.6	39%	0.393	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-56.1	-30.5	-176.7	-51.8	-170.9	168.1	0	0	113	I70 V80 R147 F148	I70-E145 HydrophobicContact CD1-CB 4.09Å; I70-E145 HydrophobicContact CD1-CG 3.93Å; I70-E145 HydrophobicContact CG1-CB 4.23Å; I70-E145 HydrophobicContact CG1-CG 4.32Å; V80-E145 WeakPolarHBondContact CG2-O 2.85Å; E145-R147 PolarHBondContact O-N 3.07Å; E145-F148 PolarHBondContact O-N 3.29Å
146	A	94	Very high	93.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-55.3	-23.1	-179.6	0	0	0	0	0	114	E94 Y95 N144 F148 I149	E94-A146 WeakPolarHBondContact O-CB 3.28Å; Y95-A146 HydrophobicContact CD2-CB 4.04Å; N144-A146 PolarHBondContact O-N 3.07Å; N144-A146 VanDerWaalsContact O-N 3.12Å; N144-A146 VanDerWaalsContact OD1-CB 3.3Å; N144-A146 WeakPolarHBondContact OD1-CB 3.3Å; N144-A146 PolarHBondContact OD1-N 3.22Å; A146-F148 PolarHBondContact O-N 2.87Å; A146-I149 HydrophobicContact CB-CD1 4.06Å; A146-I149 WeakPolarHBondContact O-CB 3.32Å; A146-I149 WeakPolarHBondContact O-CG1 3.46Å; A146-I149 PolarHBondContact O-N 3.19Å; A146-I149 VanDerWaalsContact O-N 3.14Å
147	R	94.2	Very high	93.5	Very high	46 Å²	46	52.5 Å²	52.5	17%	0.174	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-60.9	-22.3	174.8	76.5	-177.1	-81.2	-172.3	1.3	113.6	Y119 A139 T140 N144 E145	Y119-R147 HydrophobicContact CD1-CB 3.96Å; Y119-R147 HydrophobicContact CD1-CG 4.43Å; Y119-R147 WeakPolarHBondContact CD1-O 3.33Å; Y119-R147 VanDerWaalsContact CD2-NH2 3.34Å; Y119-R147 HydrophobicContact CE1-CB 4.44Å; Y119-R147 HydrophobicContact CE1-CG 4.46Å; Y119-R147 VanDerWaalsContact CE1-O 3.25Å; Y119-R147 WeakPolarHBondContact CE1-O 3.48Å; A139-R147 HydrophobicContact CB-CB 3.8Å; A139-R147 PolarHBondContact O-NE 2.83Å; A139-R147 PolarHBondContact O-NH1 3.41Å; T140-R147 PolarHBondContact O-NH1 3.43Å; T140-R147 PolarHBondContact O-NH2 2.89Å; T140-R147 VanDerWaalsContact O-NH2 3.08Å; N144-R147 WeakPolarHBondContact O-CG 2.98Å; N144-R147 PolarHBondContact O-N 2.95Å; E145-R147 PolarHBondContact O-N 3.07Å
148	F	95.1	Very high	93.6	Very high	43 Å²	43	56.5 Å²	56.5	19%	0.189	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-96.1	3.5	-179.4	-56.7	-67.2	0	0	0	112.6	I70 I78 G79 V80 Y119 E145 A146 N150	I70-F148 HydrophobicContact CD1-CD2 3.62Å; I70-F148 HydrophobicContact CD1-CE2 3.78Å; I70-F148 HydrophobicContact CG1-CD2 4.25Å; I78-F148 HydrophobicContact CB-CD1 4.24Å; I78-F148 HydrophobicContact CG2-CB 4.14Å; I78-F148 HydrophobicContact CG2-CD1 4.04Å; I78-F148 HydrophobicContact CG2-CG 4.03Å; G79-F148 WeakPolarHBondContact CA-O 3.5Å; V80-F148 HydrophobicContact CG2-CB 3.68Å; Y119-F148 HydrophobicContact CE1-CD1 4.5Å; E145-F148 PolarHBondContact O-N 3.29Å; A146-F148 PolarHBondContact O-N 2.87Å; F148-N150 PolarHBondContact O-N 2.83Å
149	I	95.8	Very high	93.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-68.1	119	171.9	-62.9	169.9	0	0	0	107.9	V80 A146 I172 L184 F186 Y188	V80-I149 HydrophobicContact CB-CG1 3.86Å; V80-I149 HydrophobicContact CG1-CG1 4.34Å; V80-I149 HydrophobicContact CG2-CG1 3.86Å; A146-I149 HydrophobicContact CB-CD1 4.06Å; A146-I149 WeakPolarHBondContact O-CB 3.32Å; A146-I149 WeakPolarHBondContact O-CG1 3.46Å; A146-I149 PolarHBondContact O-N 3.19Å; A146-I149 VanDerWaalsContact O-N 3.14Å; I149-I172 HydrophobicContact CD1-CG1 4.33Å; I149-I172 HydrophobicContact CD1-CG2 4.2Å; I149-L184 HydrophobicContact CD1-CD1 4.4Å; I149-L184 HydrophobicContact CG1-CB 4.24Å; I149-L184 HydrophobicContact CG2-CB 4.08Å; I149-L184 WeakPolarHBondContact CG2-O 3.07Å; I149-F186 HydrophobicContact CB-CD1 3.94Å; I149-F186 HydrophobicContact CB-CE1 3.76Å; I149-F186 HydrophobicContact CG2-CD1 3.34Å; I149-F186 HydrophobicContact CG2-CE1 3.7Å; I149-F186 HydrophobicContact CG2-CG 4.35Å; I149-Y188 PolarHBondContact O-OH 3.13Å
150	N	94.7	Very high	93.1	Very high	22 Å²	22	60.7 Å²	60.7	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	162.2	-172.6	-80.8	-51	0	0	0	113.1	S73 I78 F148 E183 F185 F186	S73-N150 WeakPolarHBondContact CB-ND2 3.19Å; S73-N150 PolarHBondContact OG-ND2 2.76Å; I78-N150 PolarHBondContact O-ND2 3.49Å; F148-N150 PolarHBondContact O-N 2.83Å; N150-E183 PolarHBondContact ND2-OE1 2.7Å; N150-F185 HydrophobicContact CB-CD1 3.67Å; N150-F185 HydrophobicContact CB-CE1 3.76Å; N150-F185 VanDerWaalsContact O-CA 3.29Å; N150-F185 WeakPolarHBondContact O-CA 3.41Å; N150-F186 PolarHBondContact O-N 3.46Å
151	H	92.1	Very high	92.7	Very high	85 Å²	85	61.9 Å²	61.9	39%	0.394	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136	171	178.1	47.8	0	0	0	111.5	F186 N187 Y188	H151-F186 WeakPolarHBondContact CA-O 3.46Å; H151-F186 PolarHBondContact ND1-O 3.2Å; H151-N187 PolarHBondContact CE1-OD1 3.02Å; H151-N187 VanDerWaalsContact CE1-OD1 3.26Å; H151-Y188 HydrophobicContact CB-CD1 3.75Å; H151-Y188 HydrophobicContact CB-CD2 3.89Å; H151-Y188 HydrophobicContact CB-CE1 3.89Å; H151-Y188 HydrophobicContact CB-CE2 4.01Å; H151-Y188 HydrophobicContact CB-CG 3.77Å; H151-Y188 PolarHBondContact ND1-N 3.31Å
152	S	93.1	Very high	92.2	Very high	29 Å²	29	56.6 Å²	56.6	20%	0.203	30%	0.296	C	S	.	.			trans	-140	149.1	164.1	-179.1	0	0	0	0	111.7	K154 F186	S152-K154 VanDerWaalsContact C-N 3.26Å; S152-K154 PolarHBondContact OG-N 3.13Å; S152-K154 PolarHBondContact OG-O 3.46Å; S152-F186 PolarHBondContact N-O 3.21Å
153	S	91.4	Very high	91.5	Very high	105 Å²	105	52 Å²	52	73%	0.734	28%	0.278	S	S	*	.	S	Bend	trans	-77	-13.8	168	58.8	0	0	0	0	112.8	P155	S153-P155 WeakPolarHBondContact O-CD 3.39Å
154	K	93.5	Very high	90.9	Very high	183 Å²	183	50.3 Å²	50.3	80%	0.796	26%	0.258	S	S	*	.	S	Bend	trans	-121.7	67.2	170.9	-64	-179.2	-176.9	177.7	0	109.2	S152	S152-K154 VanDerWaalsContact C-N 3.26Å; S152-K154 PolarHBondContact OG-N 3.13Å; S152-K154 PolarHBondContact OG-O 3.46Å
155	P	96	Very high	90.2	Very high	44 Å²	44	52.2 Å²	52.2	29%	0.286	26%	0.262	S	S	.	.			trans	-69.1	153.6	-176.5	31.5	-36.8	0	0	0	111.9	S153 F185 N187	S153-P155 WeakPolarHBondContact O-CD 3.39Å; P155-F185 CarbonylContact C-O 3.59Å; P155-F185 VanDerWaalsContact CA-O 3.32Å; P155-F185 WeakPolarHBondContact CA-O 3.07Å; P155-F185 WeakPolarHBondContact CB-O 3.12Å; P155-N187 HydrophobicContact CG-CB 4.31Å
156	N	97.4	Very high	89.3	Confident	24 Å²	24	50.2 Å²	50.2	13%	0.128	26%	0.264	C	S	.	.	S	Bend	trans	-110.2	-3.2	172.4	59.8	6.1	0	0	0	112.6	T175 I178 E183 L184 F185	N156-T175 WeakPolarHBondContact CA-OG1 3.19Å; N156-T175 PolarHBondContact O-N 3.04Å; N156-T175 PolarHBondContact O-OG1 2.89Å; N156-T175 VanDerWaalsContact O-OG1 3.07Å; N156-I178 HydrophobicContact CB-CD1 4.01Å; N156-I178 HydrophobicContact CB-CG1 4.15Å; N156-I178 WeakPolarHBondContact O-CD1 3.17Å; N156-E183 PolarHBondContact ND2-O 3.41Å; N156-L184 WeakPolarHBondContact OD1-CA 3.46Å; N156-F185 PolarHBondContact N-O 2.91Å; N156-F185 PolarHBondContact OD1-N 3.15Å; N156-F185 PolarHBondContact OD1-O 3.41Å
157	C	96.3	Very high	88.6	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162	170.3	59.9	0	0	0	0	112.3	I92 I172 Y173 F185 F186	I92-C157 HydrophobicContact CD1-CB 3.79Å; C157-I172 HydrophobicContact CB-CG2 3.83Å; C157-Y173 CarbonylContact C-O 3.59Å; C157-Y173 WeakPolarHBondContact CA-O 3.37Å; C157-Y173 WeakPolarHBondContact CB-O 3.21Å; C157-F185 PolarHBondContact N-O 2.84Å; C157-F185 PolarHBondContact SG-O 2.8Å; C157-F186 WeakPolarHBondContact O-CA 3.23Å; C157-F186 VanDerWaalsContact O-CB 3.23Å; C157-F186 WeakPolarHBondContact O-CB 3.19Å
158	E	93.6	Very high	87.9	Confident	90 Å²	90	53.4 Å²	53.4	42%	0.421	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.7	179.3	68.3	-179.6	-172	0	0	112.6	H160 Y173 T175	E158-H160 VanDerWaalsContact CD-NE2 3.26Å; E158-H160 WeakPolarHBondContact CG-NE2 3.25Å; E158-H160 IonicContact OE1-CD2 3.2Å; E158-H160 IonicContact OE1-CE1 3.06Å; E158-H160 PolarHBondContact OE1-CE1 3.17Å; E158-H160 IonicContact OE1-NE2 2.59Å; E158-H160 PolarHBondContact OE1-NE2 3.14Å; E158-Y173 PolarHBondContact N-O 3.06Å; E158-Y173 PolarHBondContact O-N 2.9Å; E158-T175 HydrophobicContact CB-CG2 3.66Å; E158-T175 VanDerWaalsContact CD-CG2 3.48Å; E158-T175 HydrophobicContact CG-CG2 3.38Å
159	P	91.3	Very high	87.5	Confident	28 Å²	28	54.3 Å²	54.3	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.7	175.8	30.8	-31.9	0	0	0	111.7	F121 I170 G171 I172 F186 P190	F121-P159 HydrophobicContact CE1-CB 4.46Å; F121-P159 HydrophobicContact CE2-CB 3.72Å; F121-P159 HydrophobicContact CE2-CG 3.76Å; F121-P159 HydrophobicContact CZ-CB 3.43Å; F121-P159 VanDerWaalsContact CZ-CB 3.43Å; F121-P159 HydrophobicContact CZ-CG 3.36Å; P159-I170 HydrophobicContact CB-CG2 3.76Å; P159-G171 CarbonylContact C-O 3.52Å; P159-G171 WeakPolarHBondContact CA-O 3.46Å; P159-I172 HydrophobicContact CB-CD1 3.76Å; P159-F186 HydrophobicContact CG-CD2 4.36Å; P159-P190 HydrophobicContact CG-CG 4.46Å
160	H	86.5	Confident	87.1	Confident	59 Å²	59	54.3 Å²	54.3	27%	0.273	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126	173.2	-74.5	-109.5	0	0	0	110.7	E158 K162 I170 G171 Y173	E158-H160 VanDerWaalsContact CD-NE2 3.26Å; E158-H160 WeakPolarHBondContact CG-NE2 3.25Å; E158-H160 IonicContact OE1-CD2 3.2Å; E158-H160 IonicContact OE1-CE1 3.06Å; E158-H160 PolarHBondContact OE1-CE1 3.17Å; E158-H160 IonicContact OE1-NE2 2.59Å; E158-H160 PolarHBondContact OE1-NE2 3.14Å; H160-K162 HydrophobicContact CB-CD 4.19Å; H160-K162 HydrophobicContact CB-CG 4.37Å; H160-K162 PolarHBondContact ND1-NZ 3.03Å; H160-K162 PolarHBondContact O-N 3.33Å; H160-I170 WeakPolarHBondContact O-CA 3.35Å; H160-G171 PolarHBondContact N-O 3.46Å; H160-G171 PolarHBondContact O-N 3.11Å; H160-Y173 HydrophobicContact CB-CD2 3.95Å; H160-Y173 HydrophobicContact CB-CE2 3.75Å; H160-Y173 AromaticContact CD2-CD2 3.57Å; H160-Y173 AromaticContact CG-CD2 3.96Å
161	V	83.4	Confident	86.9	Confident	60 Å²	60	53.2 Å²	53.2	36%	0.364	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.4	168.7	-176.4	0	0	0	0	109.2	I123 H168 R169	I123-V161 HydrophobicContact CG2-CB 4.42Å; I123-V161 HydrophobicContact CG2-CG1 3.68Å; I123-V161 HydrophobicContact CG2-CG2 3.8Å; V161-H168 HydrophobicContact CG1-CB 4.21Å; V161-R169 WeakPolarHBondContact CA-O 3.5Å
162	K	80.1	Confident	86.9	Confident	52 Å²	52	49.2 Å²	49.2	23%	0.226	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.8	-179.2	-56.7	-63.1	-159.6	-160.7	0	110.1	T57 L61 H160 V164 H168 R169	T57-K162 HydrophobicContact CG2-CB 3.61Å; T57-K162 HydrophobicContact CG2-CD 3.59Å; T57-K162 HydrophobicContact CG2-CG 3.38Å; L61-K162 HydrophobicContact CD1-CB 4.02Å; L61-K162 HydrophobicContact CD1-CG 4.36Å; H160-K162 HydrophobicContact CB-CD 4.19Å; H160-K162 HydrophobicContact CB-CG 4.37Å; H160-K162 PolarHBondContact ND1-NZ 3.03Å; H160-K162 PolarHBondContact O-N 3.33Å; K162-V164 HydrophobicContact CB-CG2 4.44Å; K162-H168 WeakPolarHBondContact O-CA 3.5Å; K162-R169 PolarHBondContact N-O 3.02Å; K162-R169 PolarHBondContact O-N 2.86Å
163	L	77	Confident	86.8	Confident	42 Å²	42	49 Å²	49	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.8	171.4	-174.1	72.8	0	0	0	109.4
164	V	78.6	Confident	87	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.4	-179.1	175.7	0	0	0	0	109	N58 L61 K162 G166 S167 R169	N58-V164 WeakPolarHBondContact OD1-CA 3.25Å; N58-V164 WeakPolarHBondContact OD1-CG1 3.21Å; L61-V164 HydrophobicContact CB-CG2 4.17Å; L61-V164 HydrophobicContact CD1-CG2 3.35Å; L61-V164 HydrophobicContact CG-CG2 4.36Å; K162-V164 HydrophobicContact CB-CG2 4.44Å; V164-G166 PolarHBondContact O-N 3.33Å; V164-G166 VanDerWaalsContact O-N 3.13Å; V164-S167 PolarHBondContact N-O 3.3Å; V164-S167 PolarHBondContact O-N 3.45Å; V164-R169 HydrophobicContact CB-CG 4.29Å
165	Y	76.9	Confident	87.1	Confident	94 Å²	94	37.7 Å²	37.7	37%	0.369	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	45.4	-177.1	-60.2	-66.4	0	0	0	114.3	Y25 N58 M62 S167	Y25-Y165 VanDerWaalsContact CE2-O 3.25Å; Y25-Y165 WeakPolarHBondContact CE2-O 3.42Å; N58-Y165 HydrophobicContact CB-CE1 4.41Å; N58-Y165 HydrophobicContact CB-CE2 3.77Å; N58-Y165 PolarHBondContact OD1-N 3.34Å; M62-Y165 HydrophobicContact CE-CD2 4.33Å; M62-Y165 HydrophobicContact CE-CE2 4.06Å; M62-Y165 HydrophobicContact CG-CE2 4.29Å; M62-Y165 HydrophobicContact SD-CD2 4.25Å; M62-Y165 HydrophobicContact SD-CE2 3.47Å; M62-Y165 WeakPolarHBondContact SD-CE2 3.38Å; Y165-S167 VanDerWaalsContact C-N 3.28Å; Y165-S167 PolarHBondContact O-N 3.18Å
166	G	74.4	Confident	87.2	Confident	41 Å²	41	38.7 Å²	38.7	42%	0.423	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-3.8	179.4	0	0	0	0	0	115.5	V164	V164-G166 PolarHBondContact O-N 3.33Å; V164-G166 VanDerWaalsContact O-N 3.13Å
167	S	79.1	Confident	87.2	Confident	55 Å²	55	41.7 Å²	41.7	39%	0.385	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.8	174.8	-170.3	0	0	0	0	111.3	V164 Y165	V164-S167 PolarHBondContact N-O 3.3Å; V164-S167 PolarHBondContact O-N 3.45Å; Y165-S167 VanDerWaalsContact C-N 3.28Å; Y165-S167 PolarHBondContact O-N 3.18Å
168	H	80.4	Confident	87.3	Confident	60 Å²	60	42 Å²	42	28%	0.278	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.8	172.3	-69.8	83.7	0	0	0	109.2	I125 V161 K162	I125-H168 HydrophobicContact CD1-CB 3.77Å; I125-H168 VanDerWaalsContact CD1-CG 3.49Å; I125-H168 WeakPolarHBondContact CD1-ND1 3.17Å; I125-H168 HydrophobicContact CG1-CB 4.33Å; V161-H168 HydrophobicContact CG1-CB 4.21Å; K162-H168 WeakPolarHBondContact O-CA 3.5Å
169	R	85.3	Confident	87.5	Confident	61 Å²	61	44 Å²	44	23%	0.23	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.1	-179.4	-55.7	-178.9	82	-174.3	9.6	109.4	L61 E94 V161 K162 V164	L61-R169 HydrophobicContact CD1-CB 4.41Å; L61-R169 PolarHBondContact O-NH1 2.86Å; E94-R169 IonicContact OE1-CZ 2.76Å; E94-R169 IonicContact OE1-NE 3.49Å; E94-R169 PolarHBondContact OE1-NE 2.96Å; E94-R169 IonicContact OE1-NH2 3.57Å; E94-R169 PolarHBondContact OE1-NH2 3.12Å; E94-R169 IonicContact OE2-CZ 2.78Å; E94-R169 VanDerWaalsContact OE2-CZ 3.29Å; E94-R169 IonicContact OE2-NE 3.56Å; E94-R169 IonicContact OE2-NH2 3.85Å; E94-R169 PolarHBondContact OE2-NH2 3.24Å; V161-R169 WeakPolarHBondContact CA-O 3.5Å; K162-R169 PolarHBondContact N-O 3.02Å; K162-R169 PolarHBondContact O-N 2.86Å; V164-R169 HydrophobicContact CB-CG 4.29Å
170	I	87.8	Confident	87.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.1	177.9	-56.7	178.3	0	0	0	108.5	E94 Y95 F121 I123 I137 P159 H160 I172	E94-I170 CarbonylContact C-O 3.56Å; E94-I170 VanDerWaalsContact CA-O 3.28Å; E94-I170 WeakPolarHBondContact CA-O 3.1Å; E94-I170 VanDerWaalsContact CG-O 3.26Å; E94-I170 WeakPolarHBondContact CG-O 2.96Å; Y95-I170 PolarHBondContact N-O 3.36Å; F121-I170 HydrophobicContact CB-CD1 4.19Å; F121-I170 HydrophobicContact CD1-CD1 3.29Å; F121-I170 HydrophobicContact CD2-CD1 4.27Å; F121-I170 HydrophobicContact CE1-CD1 3.74Å; F121-I170 HydrophobicContact CG-CD1 3.64Å; F121-I170 HydrophobicContact CZ-CD1 4.39Å; I123-I170 HydrophobicContact CD1-CD1 3.97Å; I123-I170 HydrophobicContact CD1-CG1 3.9Å; I123-I170 HydrophobicContact CG1-CD1 3.74Å; I123-I170 HydrophobicContact CG1-CG1 4.03Å; I137-I170 HydrophobicContact CD1-CD1 3.79Å; I137-I170 HydrophobicContact CD1-CG1 3.9Å; I137-I170 HydrophobicContact CG1-CD1 4.37Å; P159-I170 HydrophobicContact CB-CG2 3.76Å; H160-I170 WeakPolarHBondContact O-CA 3.35Å; I170-I172 HydrophobicContact CG2-CD1 4.21Å
171	G	89.9	Confident	88.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139	167.2	0	0	0	0	0	111	P159 H160 Y173	P159-G171 CarbonylContact C-O 3.52Å; P159-G171 WeakPolarHBondContact CA-O 3.46Å; H160-G171 PolarHBondContact N-O 3.46Å; H160-G171 PolarHBondContact O-N 3.11Å; G171-Y173 VanDerWaalsContact O-CD2 3.26Å; G171-Y173 WeakPolarHBondContact O-CD2 3.34Å; G171-Y173 WeakPolarHBondContact O-CE2 3.28Å
172	I	92	Very high	89.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.4	171.9	-53.5	-55.6	0	0	0	108.4	I92 C93 I149 C157 P159 I170 F186	I92-I172 HydrophobicContact CB-CG2 4.48Å; I92-I172 HydrophobicContact CD1-CG2 4.3Å; I92-I172 PolarHBondContact N-O 3.3Å; C93-I172 WeakPolarHBondContact O-CB 3.19Å; C93-I172 PolarHBondContact O-N 3.06Å; I149-I172 HydrophobicContact CD1-CG1 4.33Å; I149-I172 HydrophobicContact CD1-CG2 4.2Å; C157-I172 HydrophobicContact CB-CG2 3.83Å; P159-I172 HydrophobicContact CB-CD1 3.76Å; I170-I172 HydrophobicContact CG2-CD1 4.21Å; I172-F186 HydrophobicContact CD1-CD1 4.44Å; I172-F186 HydrophobicContact CD1-CE1 4.49Å
173	Y	92.7	Very high	89.9	Confident	24 Å²	24	47 Å²	47	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.9	-176.4	-63.8	-99.9	0	0	0	111	D90 F91 C157 E158 H160 G171	D90-Y173 CarbonylContact O-C 3.58Å; D90-Y173 WeakPolarHBondContact O-CA 3.42Å; F91-Y173 HydrophobicContact CB-CD1 3.97Å; F91-Y173 HydrophobicContact CB-CE1 3.71Å; F91-Y173 HydrophobicContact CD2-CE1 4.01Å; F91-Y173 HydrophobicContact CD2-CE2 4.16Å; F91-Y173 AromaticContact CD2-CZ 3.79Å; F91-Y173 HydrophobicContact CG-CE1 4.36Å; C157-Y173 CarbonylContact C-O 3.59Å; C157-Y173 WeakPolarHBondContact CA-O 3.37Å; C157-Y173 WeakPolarHBondContact CB-O 3.21Å; E158-Y173 PolarHBondContact N-O 3.06Å; E158-Y173 PolarHBondContact O-N 2.9Å; H160-Y173 HydrophobicContact CB-CD2 3.95Å; H160-Y173 HydrophobicContact CB-CE2 3.75Å; H160-Y173 AromaticContact CD2-CD2 3.57Å; H160-Y173 AromaticContact CG-CD2 3.96Å; G171-Y173 VanDerWaalsContact O-CD2 3.26Å; G171-Y173 WeakPolarHBondContact O-CD2 3.34Å; G171-Y173 WeakPolarHBondContact O-CE2 3.28Å
174	A	95.4	Very high	90.9	Very high	3 Å²	3	45 Å²	45	3%	0.025	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.1	174.5	0	0	0	0	0	110.8	E87 G89 D90 I92 I178	E87-A174 WeakPolarHBondContact O-CB 3.49Å; G89-A174 WeakPolarHBondContact CA-O 3.47Å; G89-A174 PolarHBondContact N-O 3.2Å; D90-A174 HydrophobicContact CB-CB 4.36Å; D90-A174 PolarHBondContact O-N 3.2Å; I92-A174 HydrophobicContact CD1-CB 4.08Å; I92-A174 HydrophobicContact CG1-CB 4.41Å; A174-I178 HydrophobicContact CB-CD1 4.12Å
175	T	96	Very high	91.8	Very high	48 Å²	48	46.2 Å²	46.2	29%	0.294	25%	0.247	S	C	.	.	S	Bend	trans	-96.3	-17.9	174.7	56.3	0	0	0	0	112.5	N156 E158	N156-T175 WeakPolarHBondContact CA-OG1 3.19Å; N156-T175 PolarHBondContact O-N 3.04Å; N156-T175 PolarHBondContact O-OG1 2.89Å; N156-T175 VanDerWaalsContact O-OG1 3.07Å; E158-T175 HydrophobicContact CB-CG2 3.66Å; E158-T175 VanDerWaalsContact CD-CG2 3.48Å; E158-T175 HydrophobicContact CG-CG2 3.38Å
176	T	97.1	Very high	92.7	Very high	66 Å²	66	41.8 Å²	41.8	41%	0.405	23%	0.23	S	C	.	.	S	Bend	trans	-132.5	168.9	175.1	62.6	0	0	0	0	109.4	I178	T176-I178 PolarHBondContact O-N 3.05Å
177	S	97.9	Very high	93.4	Very high	86 Å²	86	42.1 Å²	42.1	60%	0.601	22%	0.222	S	C	*	.			trans	-68.3	129.6	164.4	-62.9	0	0	0	0	109	L86	L86-S177 CarbonylContact O-C 3.52Å; L86-S177 WeakPolarHBondContact O-CA 3.41Å
178	I	98.3	Very high	93.8	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.036	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-115.6	125	-177.1	-53	177.2	0	0	0	107.7	A82 D85 L86 I92 N156 A174 T176 L184	A82-I178 HydrophobicContact CB-CG2 4.26Å; D85-I178 WeakPolarHBondContact CA-O 3.39Å; L86-I178 HydrophobicContact CB-CB 4.06Å; L86-I178 HydrophobicContact CD1-CB 4.12Å; L86-I178 HydrophobicContact CD1-CD1 4.04Å; L86-I178 HydrophobicContact CD1-CG2 4.41Å; L86-I178 HydrophobicContact CG-CB 4.37Å; L86-I178 PolarHBondContact N-O 3.23Å; L86-I178 PolarHBondContact O-N 3.12Å; I92-I178 HydrophobicContact CD1-CD1 4.31Å; N156-I178 HydrophobicContact CB-CD1 4.01Å; N156-I178 HydrophobicContact CB-CG1 4.15Å; N156-I178 WeakPolarHBondContact O-CD1 3.17Å; A174-I178 HydrophobicContact CB-CD1 4.12Å; T176-I178 PolarHBondContact O-N 3.05Å; I178-L184 HydrophobicContact CD1-CD2 3.61Å; I178-L184 HydrophobicContact CG2-CD2 4.11Å
179	K	98.3	Very high	93.6	Very high	134 Å²	134	51.9 Å²	51.9	58%	0.583	25%	0.249	S	C	*	.			trans	-77.8	148.4	177.8	-72.8	-70.7	169.3	-169.6	0	110.8	D85 N181 S182	D85-K179 WeakPolarHBondContact OD1-CA 3.46Å; D85-K179 IonicContact OD2-NZ 3.66Å; D85-K179 PolarHBondContact OD2-NZ 2.83Å; K179-N181 PolarHBondContact O-N 3.48Å; K179-S182 WeakPolarHBondContact O-CB 3.12Å; K179-S182 PolarHBondContact O-N 3.28Å; K179-S182 PolarHBondContact O-OG 2.94Å
180	K	98.2	Very high	92.4	Very high	114 Å²	114	52 Å²	52	50%	0.496	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	139.6	168.1	175.6	169.7	-179.1	149.5	0	110.7	A83 E84 D85 S182	A83-K180 WeakPolarHBondContact O-CD 3.12Å; A83-K180 WeakPolarHBondContact O-CE 3.32Å; A83-K180 WeakPolarHBondContact O-CG 3.44Å; A83-K180 PolarHBondContact O-NZ 2.98Å; E84-K180 WeakPolarHBondContact O-CA 3.32Å; D85-K180 PolarHBondContact OD1-N 3.3Å; K180-S182 PolarHBondContact O-N 3.07Å
181	N	97.7	Very high	90.2	Very high	92 Å²	92	57.4 Å²	57.4	49%	0.492	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	10.2	-175.6	-47.8	-37.2	0	0	0	115.4	Y69 A82 K179	Y69-N181 WeakPolarHBondContact OH-CA 3.18Å; Y69-N181 WeakPolarHBondContact OH-CB 3.21Å; Y69-N181 PolarHBondContact OH-OD1 3.44Å; A82-N181 WeakPolarHBondContact O-CA 3.3Å; A82-N181 PolarHBondContact O-N 2.72Å; K179-N181 PolarHBondContact O-N 3.48Å
182	S	97.8	Very high	87.8	Confident	41 Å²	41	61.9 Å²	61.9	29%	0.287	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-81.5	141.1	171.4	-49.8	0	0	0	0	110.6	F81 A82 K179 K180	F81-S182 WeakPolarHBondContact CA-O 3.43Å; A82-S182 PolarHBondContact N-O 3.04Å; K179-S182 WeakPolarHBondContact O-CB 3.12Å; K179-S182 PolarHBondContact O-N 3.28Å; K179-S182 PolarHBondContact O-OG 2.94Å; K180-S182 PolarHBondContact O-N 3.07Å
183	E	98.1	Very high	85	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.065	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-70.4	140.7	172.8	-167	176.8	169.8	0	0	110.8	S73 D74 G79 V80 F81 N150 N156 F185	S73-E183 VanDerWaalsContact CB-OE1 3.27Å; S73-E183 WeakPolarHBondContact CB-OE1 3.17Å; S73-E183 PolarHBondContact OG-OE1 3.1Å; D74-E183 PolarHBondContact N-OE2 3.08Å; G79-E183 WeakPolarHBondContact CA-OE1 3.12Å; V80-E183 CarbonylContact O-C 3.59Å; V80-E183 WeakPolarHBondContact O-CA 3.35Å; F81-E183 HydrophobicContact CD1-CB 3.8Å; F81-E183 HydrophobicContact CD1-CG 4.38Å; F81-E183 HydrophobicContact CE1-CB 3.54Å; F81-E183 HydrophobicContact CE1-CG 4.02Å; F81-E183 HydrophobicContact CE2-CG 4.46Å; F81-E183 HydrophobicContact CZ-CB 4.08Å; F81-E183 HydrophobicContact CZ-CG 4.04Å; N150-E183 PolarHBondContact ND2-OE1 2.7Å; N156-E183 PolarHBondContact ND2-O 3.41Å; E183-F185 HydrophobicContact CB-CD2 4.45Å; E183-F185 HydrophobicContact CB-CE2 3.56Å; E183-F185 HydrophobicContact CB-CZ 3.65Å; E183-F185 VanDerWaalsContact CD-CE1 3.48Å; E183-F185 HydrophobicContact CG-CE1 3.97Å; E183-F185 HydrophobicContact CG-CE2 3.79Å; E183-F185 HydrophobicContact CG-CZ 3.48Å; E183-F185 VanDerWaalsContact CG-CZ 3.48Å; E183-F185 WeakPolarHBondContact O-CD2 3.37Å; E183-F185 WeakPolarHBondContact OE1-CE1 3.37Å; E183-F185 VanDerWaalsContact OE2-CZ 3.26Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.22Å
184	L	97.8	Very high	81.9	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-88.3	140.2	175.6	-58.3	-175	0	0	0	110.1	L68 V80 A82 L86 I92 I149 N156 I178	L68-L184 HydrophobicContact CD1-CD1 4.47Å; L68-L184 HydrophobicContact CD2-CD1 3.74Å; V80-L184 HydrophobicContact CG1-CD1 4.02Å; V80-L184 PolarHBondContact O-N 3.05Å; A82-L184 HydrophobicContact CB-CD2 4.46Å; L86-L184 HydrophobicContact CD1-CD2 4.2Å; I92-L184 HydrophobicContact CD1-CD1 4.36Å; I92-L184 HydrophobicContact CD1-CD2 4.32Å; I92-L184 HydrophobicContact CG2-CD1 3.8Å; I149-L184 HydrophobicContact CD1-CD1 4.4Å; I149-L184 HydrophobicContact CG1-CB 4.24Å; I149-L184 HydrophobicContact CG2-CB 4.08Å; I149-L184 WeakPolarHBondContact CG2-O 3.07Å; N156-L184 WeakPolarHBondContact OD1-CA 3.46Å; I178-L184 HydrophobicContact CD1-CD2 3.61Å; I178-L184 HydrophobicContact CG2-CD2 4.11Å
185	F	97	Very high	78.6	Confident	30 Å²	30	80 Å²	80	13%	0.132	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.1	176.3	-55.9	-85.7	0	0	0	111.7	V75 N150 P155 N156 C157 E183	V75-F185 HydrophobicContact CB-CE1 4.33Å; V75-F185 HydrophobicContact CG2-CE1 3.63Å; V75-F185 HydrophobicContact CG2-CZ 3.79Å; N150-F185 HydrophobicContact CB-CD1 3.67Å; N150-F185 HydrophobicContact CB-CE1 3.76Å; N150-F185 VanDerWaalsContact O-CA 3.29Å; N150-F185 WeakPolarHBondContact O-CA 3.41Å; P155-F185 CarbonylContact C-O 3.59Å; P155-F185 VanDerWaalsContact CA-O 3.32Å; P155-F185 WeakPolarHBondContact CA-O 3.07Å; P155-F185 WeakPolarHBondContact CB-O 3.12Å; N156-F185 PolarHBondContact N-O 2.91Å; N156-F185 PolarHBondContact OD1-N 3.15Å; N156-F185 PolarHBondContact OD1-O 3.41Å; C157-F185 PolarHBondContact N-O 2.84Å; C157-F185 PolarHBondContact SG-O 2.8Å; E183-F185 HydrophobicContact CB-CD2 4.45Å; E183-F185 HydrophobicContact CB-CE2 3.56Å; E183-F185 HydrophobicContact CB-CZ 3.65Å; E183-F185 VanDerWaalsContact CD-CE1 3.48Å; E183-F185 HydrophobicContact CG-CE1 3.97Å; E183-F185 HydrophobicContact CG-CE2 3.79Å; E183-F185 HydrophobicContact CG-CZ 3.48Å; E183-F185 VanDerWaalsContact CG-CZ 3.48Å; E183-F185 WeakPolarHBondContact O-CD2 3.37Å; E183-F185 WeakPolarHBondContact OE1-CE1 3.37Å; E183-F185 VanDerWaalsContact OE2-CZ 3.26Å; E183-F185 WeakPolarHBondContact OE2-CZ 3.22Å
186	F	94.7	Very high	75.2	Confident	2 Å²	2	84.1 Å²	84.1	1%	0.009	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	164.5	167.7	68.6	-102.6	0	0	0	112.1	Y95 F121 I149 N150 H151 S152 C157 P159 I172 Y188	Y95-F186 HydrophobicContact CD2-CE1 4.4Å; Y95-F186 HydrophobicContact CD2-CZ 4.43Å; Y95-F186 HydrophobicContact CE2-CE1 4.38Å; Y95-F186 HydrophobicContact CE2-CZ 4.15Å; F121-F186 HydrophobicContact CD2-CE2 4.23Å; F121-F186 HydrophobicContact CD2-CZ 4.2Å; F121-F186 HydrophobicContact CE2-CD2 4.43Å; F121-F186 AromaticContact CE2-CE2 3.68Å; F121-F186 HydrophobicContact CE2-CE2 3.68Å; F121-F186 AromaticContact CE2-CZ 3.97Å; F121-F186 HydrophobicContact CE2-CZ 3.97Å; I149-F186 HydrophobicContact CB-CD1 3.94Å; I149-F186 HydrophobicContact CB-CE1 3.76Å; I149-F186 HydrophobicContact CG2-CD1 3.34Å; I149-F186 HydrophobicContact CG2-CE1 3.7Å; I149-F186 HydrophobicContact CG2-CG 4.35Å; N150-F186 PolarHBondContact O-N 3.46Å; H151-F186 WeakPolarHBondContact CA-O 3.46Å; H151-F186 PolarHBondContact ND1-O 3.2Å; S152-F186 PolarHBondContact N-O 3.21Å; C157-F186 WeakPolarHBondContact O-CA 3.23Å; C157-F186 VanDerWaalsContact O-CB 3.23Å; C157-F186 WeakPolarHBondContact O-CB 3.19Å; P159-F186 HydrophobicContact CG-CD2 4.36Å; I172-F186 HydrophobicContact CD1-CD1 4.44Å; I172-F186 HydrophobicContact CD1-CE1 4.49Å; F186-Y188 AromaticContact CD2-CD1 3.74Å; F186-Y188 HydrophobicContact CD2-CD1 3.74Å; F186-Y188 HydrophobicContact CD2-CE1 4.17Å; F186-Y188 HydrophobicContact CE1-CE1 4.3Å; F186-Y188 AromaticContact CE2-CD1 3.24Å; F186-Y188 HydrophobicContact CE2-CD1 3.24Å; F186-Y188 AromaticContact CE2-CE1 3.54Å; F186-Y188 HydrophobicContact CE2-CE1 3.54Å; F186-Y188 HydrophobicContact CE2-CG 4.32Å; F186-Y188 AromaticContact CZ-CD1 3.82Å; F186-Y188 HydrophobicContact CZ-CD1 3.82Å; F186-Y188 AromaticContact CZ-CE1 3.59Å; F186-Y188 HydrophobicContact CZ-CE1 3.59Å
187	N	90.1	Very high	71.7	Confident	48 Å²	48	90.2 Å²	90.2	26%	0.257	46%	0.463	S	S	.	.			trans	-83.5	116.1	174.6	-172.2	-14.1	0	0	0	110.3	H151 P155 R189 P190	H151-N187 PolarHBondContact CE1-OD1 3.02Å; H151-N187 VanDerWaalsContact CE1-OD1 3.26Å; P155-N187 HydrophobicContact CG-CB 4.31Å; N187-R189 PolarHBondContact ND2-O 3.14Å; N187-R189 PolarHBondContact O-N 2.99Å; N187-R189 VanDerWaalsContact OD1-C 3.27Å; N187-R189 PolarHBondContact OD1-N 3.16Å; N187-R189 PolarHBondContact OD1-O 2.99Å; N187-R189 VanDerWaalsContact OD1-O 3.12Å; N187-P190 VanDerWaalsContact O-CD 3.28Å; N187-P190 WeakPolarHBondContact O-CD 3.23Å
188	Y	86.7	Confident	68.2	Low	105 Å²	105	99.4 Å²	99.4	41%	0.412	49%	0.491	S	S	.	.	S	Bend	trans	-65.6	-19.1	179.2	-76.5	13.2	0	0	0	113	I149 H151 F186	I149-Y188 PolarHBondContact O-OH 3.13Å; H151-Y188 HydrophobicContact CB-CD1 3.75Å; H151-Y188 HydrophobicContact CB-CD2 3.89Å; H151-Y188 HydrophobicContact CB-CE1 3.89Å; H151-Y188 HydrophobicContact CB-CE2 4.01Å; H151-Y188 HydrophobicContact CB-CG 3.77Å; H151-Y188 PolarHBondContact ND1-N 3.31Å; F186-Y188 AromaticContact CD2-CD1 3.74Å; F186-Y188 HydrophobicContact CD2-CD1 3.74Å; F186-Y188 HydrophobicContact CD2-CE1 4.17Å; F186-Y188 HydrophobicContact CE1-CE1 4.3Å; F186-Y188 AromaticContact CE2-CD1 3.24Å; F186-Y188 HydrophobicContact CE2-CD1 3.24Å; F186-Y188 AromaticContact CE2-CE1 3.54Å; F186-Y188 HydrophobicContact CE2-CE1 3.54Å; F186-Y188 HydrophobicContact CE2-CG 4.32Å; F186-Y188 AromaticContact CZ-CD1 3.82Å; F186-Y188 HydrophobicContact CZ-CD1 3.82Å; F186-Y188 AromaticContact CZ-CE1 3.59Å; F186-Y188 HydrophobicContact CZ-CE1 3.59Å
189	R	76.8	Confident	66.7	Low	214 Å²	214	104 Å²	104	81%	0.808	51%	0.514	S	S	*	.	S	Bend	trans	-123.1	74.7	171.9	-63.2	-179.9	-176.1	166.2	1.3	107.7	N187 T191	N187-R189 PolarHBondContact ND2-O 3.14Å; N187-R189 PolarHBondContact O-N 2.99Å; N187-R189 VanDerWaalsContact OD1-C 3.27Å; N187-R189 PolarHBondContact OD1-N 3.16Å; N187-R189 PolarHBondContact OD1-O 2.99Å; N187-R189 VanDerWaalsContact OD1-O 3.12Å; R189-T191 PolarHBondContact O-N 2.75Å
190	P	59.1	Low	65	Low	63 Å²	63	102.4 Å²	102.4	41%	0.409	51%	0.511	S	S	.	.			trans	-54.9	134.2	169.1	-6.6	19.4	0	0	0	106.5	P159 N187 S192	P159-P190 HydrophobicContact CG-CG 4.46Å; N187-P190 VanDerWaalsContact O-CD 3.28Å; N187-P190 WeakPolarHBondContact O-CD 3.23Å; P190-S192 PolarHBondContact O-N 3.32Å
191	T	42.4	Very low	63.2	Low	114 Å²	114	101.8 Å²	101.8	70%	0.699	51%	0.511	S	S	*	.			trans	-65.8	75.2	170.8	37	0	0	0	0	108.4	R189 S193	R189-T191 PolarHBondContact O-N 2.75Å; T191-S193 PolarHBondContact O-N 3.48Å
192	S	39.4	Very low	61.1	Low	95 Å²	95	102.4 Å²	102.4	66%	0.664	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	72.3	173	56.8	0	0	0	0	108.4	P190	P190-S192 PolarHBondContact O-N 3.32Å
193	S	32.6	Very low	58.8	Low	92 Å²	92	106.2 Å²	106.2	64%	0.643	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-0.6	166.5	42.9	0	0	0	0	113.2	T191	T191-S193 PolarHBondContact O-N 3.48Å
194	E	27.6	Very low	56.2	Low	167 Å²	167	112.3 Å²	112.3	78%	0.78	56%	0.557	S	S	*	*	S	Bend	trans	-106	4.2	-175.2	-69	-169.2	147.8	0	0	116.5
195	N	26.5	Very low	53.2	Low	147 Å²	147	120.4 Å²	120.4	79%	0.786	60%	0.597	S	S	*	*			trans	-110.3	11.5	175.1	-80.9	-42	0	0	0	115.7	R197	N195-R197 PolarHBondContact O-N 2.79Å
196	V	25.7	Very low	49.9	Very low	135 Å²	135	127.3 Å²	127.3	82%	0.818	63%	0.633	S	S	*	*	S	Bend	trans	-77	84.5	156.7	-174.1	0	0	0	0	106.9	K198	V196-K198 PolarHBondContact O-N 3.14Å
197	R	22.1	Very low	46.1	Very low	195 Å²	195	137.8 Å²	137.8	74%	0.736	69%	0.685	S	S	*	*			trans	-59.1	134.8	172.3	-69.1	-176	-179.6	179.9	-1.8	109.3	N195	N195-R197 PolarHBondContact O-N 2.79Å
198	K	24.8	Very low	42.1	Very low	278 Å²	278	145.9 Å²	145.9	100%	1.209	72%	0.724	S	S	*	*			trans	-42.1	0	157.9	-70.1	179	176.8	177.6	0	112.1	V196	V196-K198 PolarHBondContact O-N 3.14Å

Retrieved 198 of 198 residues in 86.3 ms (Link to these results)

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