A0A5K4F3B5_SCHMA Loading...

Ig-like domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3B5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 780 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	40	Very low	195 Å²	195	96.6 Å²	96.6	96%	0.961	53%	0.53	S	S	*	.				0	-57.8	0	-132.2	-179.7	174.5	0	0	112.3	C3 C4 I5	M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 2.94Å; M1-C4 PolarHBondContact O-N 3.22Å; M1-C4 VanDerWaalsContact O-N 3.1Å; M1-I5 WeakPolarHBondContact O-CG1 3.35Å; M1-I5 PolarHBondContact O-N 3.19Å; M1-I5 VanDerWaalsContact O-N 3.13Å
2	I	35.2	Very low	40.2	Very low	130 Å²	130	99.8 Å²	99.8	67%	0.667	54%	0.544	S	S	*	.	H	α-helix	trans	-54.8	-44.3	178	-61.7	167.9	0	0	0	112.4	C4 I5 Q6	I2-C4 PolarHBondContact O-N 3.41Å; I2-I5 PolarHBondContact O-N 3.23Å; I2-Q6 WeakPolarHBondContact O-CG 3.31Å; I2-Q6 PolarHBondContact O-N 3.24Å
3	C	40.7	Very low	40.7	Very low	91 Å²	91	98.2 Å²	98.2	62%	0.615	54%	0.539	S	S	*	.	H	α-helix	trans	-66.8	-33.3	177.2	-66.5	0	0	0	0	114.5	M1 Q6 M7	M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 2.94Å; C3-Q6 PolarHBondContact O-N 3.12Å; C3-M7 PolarHBondContact O-N 3.45Å
4	C	41.9	Very low	40.5	Very low	92 Å²	92	96.1 Å²	96.1	62%	0.622	55%	0.552	S	S	*	*	H	α-helix	trans	-68	-40.7	176.5	-64	0	0	0	0	110.5	M1 I2 Q6 M7 S8	M1-C4 PolarHBondContact O-N 3.22Å; M1-C4 VanDerWaalsContact O-N 3.1Å; I2-C4 PolarHBondContact O-N 3.41Å; C4-Q6 VanDerWaalsContact C-N 3.28Å; C4-Q6 PolarHBondContact O-N 3.27Å; C4-M7 PolarHBondContact O-N 3.35Å; C4-S8 WeakPolarHBondContact O-CB 3.49Å; C4-S8 PolarHBondContact O-N 3.21Å; C4-S8 PolarHBondContact O-OG 3.05Å; C4-S8 VanDerWaalsContact O-OG 3.11Å
5	I	39.7	Very low	39.8	Very low	91 Å²	91	99.4 Å²	99.4	47%	0.467	56%	0.557	S	S	.	*	H	α-helix	trans	-62.6	-37.3	175	-63.5	166.6	0	0	0	110.6	M1 I2 S8 N9	M1-I5 WeakPolarHBondContact O-CG1 3.35Å; M1-I5 PolarHBondContact O-N 3.19Å; M1-I5 VanDerWaalsContact O-N 3.13Å; I2-I5 PolarHBondContact O-N 3.23Å; I5-S8 WeakPolarHBondContact CA-OG 3.32Å; I5-S8 PolarHBondContact O-OG 3.36Å; I5-N9 VanDerWaalsContact O-CB 3.22Å; I5-N9 WeakPolarHBondContact O-CB 3.35Å; I5-N9 VanDerWaalsContact O-CG 3.23Å; I5-N9 PolarHBondContact O-N 3.05Å
6	Q	39	Very low	39.6	Very low	53 Å²	53	102.1 Å²	102.1	25%	0.248	56%	0.556	C	S	.	*	H	α-helix	trans	-73.1	-41.2	178.4	-74.1	-178.3	-29	0	0	112.9	I2 C3 C4 N9 S10 Q20	I2-Q6 WeakPolarHBondContact O-CG 3.31Å; I2-Q6 PolarHBondContact O-N 3.24Å; C3-Q6 PolarHBondContact O-N 3.12Å; C4-Q6 VanDerWaalsContact C-N 3.28Å; C4-Q6 PolarHBondContact O-N 3.27Å; Q6-N9 PolarHBondContact O-N 3.13Å; Q6-S10 WeakPolarHBondContact O-CB 3.35Å; Q6-S10 PolarHBondContact O-N 3.34Å; Q6-Q20 VanDerWaalsContact CB-OE1 3.26Å; Q6-Q20 VanDerWaalsContact CG-OE1 3.27Å
7	M	40.7	Very low	39.6	Very low	116 Å²	116	100.8 Å²	100.8	57%	0.571	55%	0.547	S	S	*	.	H	α-helix	trans	-64.6	-42.6	172.5	-83.1	-157.2	179.8	0	0	112.1	C3 C4 S10 L11	C3-M7 PolarHBondContact O-N 3.45Å; C4-M7 PolarHBondContact O-N 3.35Å; M7-S10 PolarHBondContact O-N 3.38Å; M7-L11 WeakPolarHBondContact O-CG 3.2Å; M7-L11 PolarHBondContact O-N 2.99Å
8	S	44.2	Very low	39.4	Very low	49 Å²	49	99.1 Å²	99.1	34%	0.343	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-41.5	176.3	63.1	0	0	0	0	111.5	C4 I5 S10 L11 I12	C4-S8 WeakPolarHBondContact O-CB 3.49Å; C4-S8 PolarHBondContact O-N 3.21Å; C4-S8 PolarHBondContact O-OG 3.05Å; C4-S8 VanDerWaalsContact O-OG 3.11Å; I5-S8 WeakPolarHBondContact CA-OG 3.32Å; I5-S8 PolarHBondContact O-OG 3.36Å; S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.03Å; S8-L11 PolarHBondContact O-N 3.42Å; S8-I12 WeakPolarHBondContact O-CB 3.41Å; S8-I12 WeakPolarHBondContact O-CD1 3.18Å; S8-I12 WeakPolarHBondContact O-CG1 3.06Å; S8-I12 PolarHBondContact O-N 3.41Å
9	N	37.1	Very low	39.2	Very low	67 Å²	67	99.3 Å²	99.3	36%	0.358	54%	0.544	S	S	.	.	H	α-helix	trans	-66.1	-35.3	175.8	-79.6	-11.2	0	0	0	112.3	I5 Q6 I12 T13	I5-N9 VanDerWaalsContact O-CB 3.22Å; I5-N9 WeakPolarHBondContact O-CB 3.35Å; I5-N9 VanDerWaalsContact O-CG 3.23Å; I5-N9 PolarHBondContact O-N 3.05Å; Q6-N9 PolarHBondContact O-N 3.13Å; N9-I12 PolarHBondContact O-N 3.3Å; N9-T13 VanDerWaalsContact O-CB 3.31Å; N9-T13 WeakPolarHBondContact O-CB 2.96Å; N9-T13 WeakPolarHBondContact O-CG2 3.5Å; N9-T13 PolarHBondContact O-N 3.15Å; N9-T13 PolarHBondContact O-OG1 2.94Å
10	S	43.7	Very low	39	Very low	27 Å²	27	97.7 Å²	97.7	19%	0.189	53%	0.533	C	S	.	.	H	α-helix	trans	-65.3	-42.6	174	-176.8	0	0	0	0	111.7	Q6 M7 S8 G14 K15	Q6-S10 WeakPolarHBondContact O-CB 3.35Å; Q6-S10 PolarHBondContact O-N 3.34Å; M7-S10 PolarHBondContact O-N 3.38Å; S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.03Å; S10-G14 WeakPolarHBondContact O-CA 3.48Å; S10-G14 PolarHBondContact O-N 3.1Å; S10-K15 WeakPolarHBondContact CB-O 3.42Å; S10-K15 PolarHBondContact OG-O 2.87Å
11	L	45.8	Very low	38.8	Very low	152 Å²	152	98.6 Å²	98.6	80%	0.796	54%	0.537	S	S	*	.	H	α-helix	trans	-65	-37.2	175.6	-77.6	161.1	0	0	0	112.6	M7 S8	M7-L11 WeakPolarHBondContact O-CG 3.2Å; M7-L11 PolarHBondContact O-N 2.99Å; S8-L11 PolarHBondContact O-N 3.42Å
12	I	42.1	Very low	38.7	Very low	135 Å²	135	93.8 Å²	93.8	69%	0.692	52%	0.518	S	S	*	.	H	α-helix	trans	-82.7	-39	-177.7	-65.8	163.4	0	0	0	112	S8 N9	S8-I12 WeakPolarHBondContact O-CB 3.41Å; S8-I12 WeakPolarHBondContact O-CD1 3.18Å; S8-I12 WeakPolarHBondContact O-CG1 3.06Å; S8-I12 PolarHBondContact O-N 3.41Å; N9-I12 PolarHBondContact O-N 3.3Å
13	T	46.2	Very low	38.4	Very low	79 Å²	79	94.1 Å²	94.1	49%	0.485	52%	0.521	S	S	.	.	H	α-helix	trans	-100.2	-7.3	-171.9	66.9	0	0	0	0	114.2	N9 K15	N9-T13 VanDerWaalsContact O-CB 3.31Å; N9-T13 WeakPolarHBondContact O-CB 2.96Å; N9-T13 WeakPolarHBondContact O-CG2 3.5Å; N9-T13 PolarHBondContact O-N 3.15Å; N9-T13 PolarHBondContact O-OG1 2.94Å; T13-K15 PolarHBondContact O-N 2.87Å; T13-K15 VanDerWaalsContact O-N 3.08Å
14	G	38.1	Very low	37.9	Very low	69 Å²	69	96.4 Å²	96.4	71%	0.711	53%	0.527	S	S	*	.			trans	63.9	8.9	-175.3	0	0	0	0	0	114.2	S10	S10-G14 WeakPolarHBondContact O-CA 3.48Å; S10-G14 PolarHBondContact O-N 3.1Å
15	K	30.5	Very low	37.4	Very low	145 Å²	145	99.6 Å²	99.6	63%	0.63	54%	0.538	S	S	*	.			trans	-83.4	140.5	176.8	-77	-177.4	175.3	177.9	0	111.2	S10 T13	S10-K15 WeakPolarHBondContact CB-O 3.42Å; S10-K15 PolarHBondContact OG-O 2.87Å; T13-K15 PolarHBondContact O-N 2.87Å; T13-K15 VanDerWaalsContact O-N 3.08Å
16	R	36.1	Very low	37.1	Very low	143 Å²	143	102.1 Å²	102.1	54%	0.54	55%	0.551	S	S	.	*			trans	-68.5	138.7	-173.2	-72.8	179.2	170.7	-179.9	-4	111.8	S18 D19	R16-S18 WeakPolarHBondContact CB-OG 3.23Å; R16-S18 PolarHBondContact O-N 3.46Å; R16-D19 PolarHBondContact O-N 3.26Å
17	I	39.2	Very low	36.7	Very low	80 Å²	80	106.2 Å²	106.2	41%	0.41	57%	0.573	S	S	.	*	H	α-helix	trans	-58.4	-30.7	171.5	-62	172.6	0	0	0	111.1	D19 Q20 L21	I17-D19 PolarHBondContact O-N 3.45Å; I17-Q20 PolarHBondContact O-N 3.32Å; I17-L21 HydrophobicContact CG2-CD1 4.13Å
18	S	37.3	Very low	36.2	Very low	70 Å²	70	107 Å²	107	49%	0.49	58%	0.58	S	S	.	*	H	α-helix	trans	-58.8	-31.4	175.4	60	0	0	0	0	113.5	R16 Q20	R16-S18 WeakPolarHBondContact CB-OG 3.23Å; R16-S18 PolarHBondContact O-N 3.46Å; S18-Q20 VanDerWaalsContact C-N 3.35Å
19	D	35.2	Very low	35.6	Very low	102 Å²	102	111.7 Å²	111.7	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-83.8	-17	-174.8	-59.8	-11.7	0	0	0	111.5	R16 I17	R16-D19 PolarHBondContact O-N 3.26Å; I17-D19 PolarHBondContact O-N 3.45Å
20	Q	35.7	Very low	35.4	Very low	67 Å²	67	117.5 Å²	117.5	31%	0.313	63%	0.632	S	S	.	*	H	α-helix	trans	-91.1	-13.1	178.4	-68.5	-173.8	-11.1	0	0	113.8	Q6 I17 S18	Q6-Q20 VanDerWaalsContact CB-OE1 3.26Å; Q6-Q20 VanDerWaalsContact CG-OE1 3.27Å; I17-Q20 PolarHBondContact O-N 3.32Å; S18-Q20 VanDerWaalsContact C-N 3.35Å
21	L	33	Very low	34.7	Very low	118 Å²	118	120.5 Å²	120.5	62%	0.618	65%	0.653	S	S	*	*			trans	-98.5	14.8	179.2	-72	169.6	0	0	0	113.1	I17 D23	I17-L21 HydrophobicContact CG2-CD1 4.13Å; L21-D23 PolarHBondContact O-N 2.88Å; L21-D23 VanDerWaalsContact O-N 3.13Å
22	V	31.1	Very low	34	Very low	93 Å²	93	118.2 Å²	118.2	56%	0.564	65%	0.65	S	S	*	*			trans	-77.2	99.8	171.9	-176.2	0	0	0	0	108.1	N24	V22-N24 PolarHBondContact O-N 3.02Å; V22-N24 VanDerWaalsContact O-N 3.1Å
23	D	29.1	Very low	33.3	Very low	138 Å²	138	123.2 Å²	123.2	74%	0.738	66%	0.66	S	S	*	*			trans	-52.9	115.1	161.6	-84.4	-33.5	0	0	0	108.3	L21 N25	L21-D23 PolarHBondContact O-N 2.88Å; L21-D23 VanDerWaalsContact O-N 3.13Å; D23-N25 PolarHBondContact O-N 2.78Å
24	N	31.4	Very low	32.6	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	6.7	-174.9	-91.8	-15.7	0	0	0	115.3	V22	V22-N24 PolarHBondContact O-N 3.02Å; V22-N24 VanDerWaalsContact O-N 3.1Å
25	N	31	Very low	32.3	Very low	158 Å²	158	133.4 Å²	133.4	85%	0.845	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	14.6	-176.8	-77.5	-7.7	0	0	0	115.1	D23	D23-N25 PolarHBondContact O-N 2.78Å
26	I	32.2	Very low	32.9	Very low	145 Å²	145	133.1 Å²	133.1	74%	0.744	68%	0.676	S	S	*	*			trans	-123.8	68.5	170.8	-48.3	179.5	0	0	0	109.4
27	I	31.4	Very low	33.5	Very low	139 Å²	139	130.5 Å²	130.5	71%	0.713	67%	0.671	S	S	*	*			trans	-77	131	164.6	-63	173.4	0	0	0	107.2
28	N	30.8	Very low	34.7	Very low	133 Å²	133	135.2 Å²	135.2	71%	0.711	69%	0.689	S	S	*	*			trans	86.9	79.6	176.1	-55.2	-27.6	0	0	0	116.6
29	N	30.8	Very low	36.3	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	68%	0.678	S	S	*	*				-169.6	107	122.1	-91.5	-27.2	0	0	0	110.7	S31	N29-S31 PolarHBondContact O-N 3.44Å
30	N	32.5	Very low	38.2	Very low	188 Å²	188	131.5 Å²	131.5	100%	1.005	67%	0.673	S	S	*	*			trans	-74.6	56.8	-179.6	-89.7	-23.8	0	0	0	113.4
31	S	28.7	Very low	40.2	Very low	90 Å²	90	132.6 Å²	132.6	63%	0.629	68%	0.681	S	S	*	*			trans	-133.3	118.6	173.2	56.9	0	0	0	0	112.3	N29	N29-S31 PolarHBondContact O-N 3.44Å
32	S	31.1	Very low	42.6	Very low	105 Å²	105	127.2 Å²	127.2	73%	0.734	65%	0.653	S	S	*	*			trans	74.4	90.5	174	70.5	0	0	0	0	116.9	Y34	S32-Y34 PolarHBondContact O-N 2.85Å
33	R	28.4	Very low	45.2	Very low	240 Å²	240	124.9 Å²	124.9	91%	0.906	63%	0.634	S	S	*	*	S	Bend	trans	-69.7	21.4	172.5	-124.3	-177.4	-158	166.1	4.4	114.6
34	Y	31	Very low	48	Very low	173 Å²	173	122.9 Å²	122.9	68%	0.678	62%	0.616	S	S	*	*			trans	-122.3	73.3	178.1	-64.3	-75.6	0	0	0	109.2	S32 F36	S32-Y34 PolarHBondContact O-N 2.85Å; Y34-F36 PolarHBondContact O-N 2.97Å
35	Q	32.2	Very low	50.7	Low	189 Å²	189	119.3 Å²	119.3	88%	0.883	60%	0.596	S	S	*	*			trans	-68.2	92.9	158.6	-86.4	-177.1	-20.1	0	0	107	M37	Q35-M37 PolarHBondContact O-N 3.09Å
36	F	42.5	Very low	53.4	Low	139 Å²	139	111.8 Å²	111.8	61%	0.61	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-52.7	122.7	168.4	-74.4	-86.4	0	0	0	108.3	Y34 K38 L122	Y34-F36 PolarHBondContact O-N 2.97Å; F36-K38 PolarHBondContact O-N 2.64Å; F36-L122 HydrophobicContact CD1-CD2 4.44Å
37	M	49.4	Very low	56.3	Low	87 Å²	87	105.3 Å²	105.3	43%	0.429	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-56.3	128.2	172.8	-80	-154.7	-98.2	0	0	108.8	Q35 I39 L41 L42	Q35-M37 PolarHBondContact O-N 3.09Å; M37-I39 PolarHBondContact O-N 2.86Å; M37-L41 HydrophobicContact SD-CD2 4Å; M37-L42 HydrophobicContact CB-CD1 4.1Å; M37-L42 HydrophobicContact CB-CD2 4.28Å; M37-L42 HydrophobicContact CB-CG 3.98Å; M37-L42 HydrophobicContact CE-CD2 3.84Å; M37-L42 HydrophobicContact SD-CD2 4.1Å
38	K	65.1	Low	59.1	Low	180 Å²	180	101 Å²	101	78%	0.783	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-55.2	130.5	176.8	-72.3	-179.2	179.6	174.5	0	108.7	F36 G40 L41 L42	F36-K38 PolarHBondContact O-N 2.64Å; K38-G40 PolarHBondContact O-N 3.21Å; K38-L41 WeakPolarHBondContact O-CB 3.26Å; K38-L41 PolarHBondContact O-N 3.23Å; K38-L42 PolarHBondContact O-N 3.43Å
39	I	69.9	Low	61.9	Low	50 Å²	50	97 Å²	97	26%	0.256	48%	0.477	S	S	.	.	H	α-helix	trans	-52.6	-31.8	-178.1	-166.7	164.3	0	0	0	113.3	M37 L41 L42 R43 I63 M344	M37-I39 PolarHBondContact O-N 2.86Å; I39-L41 PolarHBondContact O-N 2.56Å; I39-L42 PolarHBondContact O-N 3.01Å; I39-R43 WeakPolarHBondContact O-CB 3.07Å; I39-R43 PolarHBondContact O-N 3.06Å; I39-I63 HydrophobicContact CD1-CG1 4.47Å; I39-I63 HydrophobicContact CG1-CD1 4.28Å; I39-I63 HydrophobicContact CG1-CG1 4.31Å; I39-M344 HydrophobicContact CD1-CE 4.14Å; I39-M344 HydrophobicContact CD1-SD 4.32Å
40	G	74.5	Confident	64.8	Low	44 Å²	44	90.5 Å²	90.5	45%	0.454	44%	0.443	S	S	.	.	H	α-helix	trans	-63.5	-36.6	175.1	0	0	0	0	0	113.8	K38 Y44	K38-G40 PolarHBondContact O-N 3.21Å; G40-Y44 PolarHBondContact O-N 3.11Å; G40-Y44 VanDerWaalsContact O-N 3.11Å
41	L	78.3	Confident	67.4	Low	90 Å²	90	85.3 Å²	85.3	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-69.2	-45.4	175.7	-179.4	65.2	0	0	0	110.9	M37 K38 I39 R43 Y44 M45	M37-L41 HydrophobicContact SD-CD2 4Å; K38-L41 WeakPolarHBondContact O-CB 3.26Å; K38-L41 PolarHBondContact O-N 3.23Å; I39-L41 PolarHBondContact O-N 2.56Å; L41-R43 VanDerWaalsContact C-N 3.28Å; L41-R43 PolarHBondContact O-N 2.92Å; L41-Y44 PolarHBondContact O-N 3.37Å; L41-M45 HydrophobicContact CG-SD 4.19Å; L41-M45 WeakPolarHBondContact O-CG 3.17Å; L41-M45 PolarHBondContact O-N 2.97Å
42	L	83.4	Confident	70.2	Confident	4 Å²	4	85.9 Å²	85.9	2%	0.021	41%	0.409	C	S	.	.	H	α-helix	trans	-62.2	-37.4	176.3	-71.4	172.1	0	0	0	111.8	M37 K38 I39 M45 G46 L59 F60 I63 L122	M37-L42 HydrophobicContact CB-CD1 4.1Å; M37-L42 HydrophobicContact CB-CD2 4.28Å; M37-L42 HydrophobicContact CB-CG 3.98Å; M37-L42 HydrophobicContact CE-CD2 3.84Å; M37-L42 HydrophobicContact SD-CD2 4.1Å; K38-L42 PolarHBondContact O-N 3.43Å; I39-L42 PolarHBondContact O-N 3.01Å; L42-M45 PolarHBondContact O-N 2.84Å; L42-G46 PolarHBondContact O-N 2.79Å; L42-L59 HydrophobicContact CD2-CD2 4.33Å; L42-L59 HydrophobicContact CD2-CG 4.21Å; L42-F60 HydrophobicContact CB-CD1 4.41Å; L42-F60 HydrophobicContact CB-CE1 4.35Å; L42-F60 HydrophobicContact CD2-CE1 4.05Å; L42-F60 WeakPolarHBondContact O-CD1 3.45Å; L42-F60 VanDerWaalsContact O-CE1 3.22Å; L42-F60 WeakPolarHBondContact O-CE1 3.22Å; L42-I63 HydrophobicContact CB-CD1 3.59Å; L42-I63 HydrophobicContact CD1-CD1 4.1Å; L42-I63 HydrophobicContact CG-CD1 4.48Å; L42-L122 HydrophobicContact CD1-CD1 3.54Å; L42-L122 HydrophobicContact CD1-CG 4.27Å
43	R	86.5	Confident	72.7	Confident	44 Å²	44	83 Å²	83	17%	0.166	40%	0.396	C	S	.	.	H	α-helix	trans	-58.9	-53.7	173.2	-173.2	177.8	-58.2	150.8	11.1	111.2	I39 L41 M45 G46 E47 I63 E64 F65 D345	I39-R43 WeakPolarHBondContact O-CB 3.07Å; I39-R43 PolarHBondContact O-N 3.06Å; L41-R43 VanDerWaalsContact C-N 3.28Å; L41-R43 PolarHBondContact O-N 2.92Å; R43-M45 VanDerWaalsContact C-N 3.32Å; R43-M45 PolarHBondContact O-N 2.97Å; R43-G46 PolarHBondContact O-N 2.88Å; R43-G46 VanDerWaalsContact O-N 3.17Å; R43-E47 HydrophobicContact CG-CG 4.33Å; R43-E47 WeakPolarHBondContact O-CG 3.28Å; R43-E47 PolarHBondContact O-N 3.24Å; R43-I63 HydrophobicContact CB-CG2 4.14Å; R43-I63 HydrophobicContact CG-CG2 4.39Å; R43-E64 PolarHBondContact NE-O 3.17Å; R43-F65 HydrophobicContact CG-CD1 4.27Å; R43-D345 IonicContact CZ-OD2 3.82Å; R43-D345 IonicContact NH1-OD2 3.94Å; R43-D345 PolarHBondContact NH1-OD2 3.35Å; R43-D345 IonicContact NH2-OD2 3.96Å
44	Y	86.8	Confident	75.4	Confident	96 Å²	96	72.8 Å²	72.8	38%	0.376	37%	0.365	S	S	.	.	H	α-helix	trans	-56.2	-46.1	179	177	-99.7	0	0	0	112.2	G40 L41 G46 E47 E48 K284	G40-Y44 PolarHBondContact O-N 3.11Å; G40-Y44 VanDerWaalsContact O-N 3.11Å; L41-Y44 PolarHBondContact O-N 3.37Å; Y44-G46 PolarHBondContact O-N 3Å; Y44-E47 PolarHBondContact O-N 3.02Å; Y44-E48 HydrophobicContact CE1-CG 4.16Å; Y44-E48 HydrophobicContact CE2-CG 4.25Å; Y44-E48 PolarHBondContact O-N 2.87Å; Y44-E48 VanDerWaalsContact O-N 3.1Å; Y44-K284 HydrophobicContact CE2-CB 4.39Å; Y44-K284 HydrophobicContact CE2-CD 3.7Å; Y44-K284 PolarHBondContact OH-NZ 3.18Å
45	M	87.5	Confident	78	Confident	65 Å²	65	67 Å²	67	32%	0.32	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-44.7	177.2	-69.6	175.9	71.4	0	0	112.1	L41 L42 R43 E48 I49 F60	L41-M45 HydrophobicContact CG-SD 4.19Å; L41-M45 WeakPolarHBondContact O-CG 3.17Å; L41-M45 PolarHBondContact O-N 2.97Å; L42-M45 PolarHBondContact O-N 2.84Å; R43-M45 VanDerWaalsContact C-N 3.32Å; R43-M45 PolarHBondContact O-N 2.97Å; M45-E48 PolarHBondContact O-N 3.13Å; M45-I49 WeakPolarHBondContact O-CD1 3.14Å; M45-I49 VanDerWaalsContact O-CG1 3.23Å; M45-I49 WeakPolarHBondContact O-CG1 3.27Å; M45-I49 PolarHBondContact O-N 3.49Å; M45-F60 HydrophobicContact CB-CE1 4.04Å; M45-F60 HydrophobicContact CB-CZ 4.18Å
46	G	89.5	Confident	80.7	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-37	178.3	0	0	0	0	0	113.2	L42 R43 Y44 I49 L50	L42-G46 PolarHBondContact O-N 2.79Å; R43-G46 PolarHBondContact O-N 2.88Å; R43-G46 VanDerWaalsContact O-N 3.17Å; Y44-G46 PolarHBondContact O-N 3Å; G46-I49 PolarHBondContact O-N 3.37Å; G46-L50 WeakPolarHBondContact O-CB 3.44Å; G46-L50 WeakPolarHBondContact O-CD1 3Å; G46-L50 VanDerWaalsContact O-CG 3.26Å; G46-L50 WeakPolarHBondContact O-CG 3.34Å; G46-L50 PolarHBondContact O-N 2.92Å
47	E	91.7	Very high	82.6	Confident	8 Å²	8	53.9 Å²	53.9	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-43.7	174.4	-70.5	178.6	168.2	0	0	111.6	R43 Y44 L50 R51 F65 S66	R43-E47 HydrophobicContact CG-CG 4.33Å; R43-E47 WeakPolarHBondContact O-CG 3.28Å; R43-E47 PolarHBondContact O-N 3.24Å; Y44-E47 PolarHBondContact O-N 3.02Å; E47-L50 PolarHBondContact O-N 3.24Å; E47-R51 WeakPolarHBondContact O-CB 3.31Å; E47-R51 PolarHBondContact O-N 3.33Å; E47-F65 HydrophobicContact CG-CB 4.15Å; E47-F65 HydrophobicContact CG-CD1 4.07Å; E47-S66 VanDerWaalsContact OE1-CB 3.23Å; E47-S66 WeakPolarHBondContact OE1-CB 2.96Å; E47-S66 PolarHBondContact OE1-N 3.36Å; E47-S66 PolarHBondContact OE1-OG 2.89Å
48	E	90	Very high	83.7	Confident	50 Å²	50	51.5 Å²	51.5	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-37.3	176.1	-70.4	-61.5	146.6	0	0	112.9	Y44 M45 L50 R51 T52	Y44-E48 HydrophobicContact CE1-CG 4.16Å; Y44-E48 HydrophobicContact CE2-CG 4.25Å; Y44-E48 PolarHBondContact O-N 2.87Å; Y44-E48 VanDerWaalsContact O-N 3.1Å; M45-E48 PolarHBondContact O-N 3.13Å; E48-L50 VanDerWaalsContact C-N 3.35Å; E48-R51 PolarHBondContact O-N 2.77Å; E48-R51 IonicContact OE1-NH1 2.74Å; E48-T52 WeakPolarHBondContact O-CG2 3.48Å; E48-T52 PolarHBondContact O-N 3.39Å; E48-T52 PolarHBondContact O-OG1 2.87Å
49	I	90.5	Very high	84.1	Confident	47 Å²	47	45.8 Å²	45.8	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-46.4	172.8	-69.9	165.3	0	0	0	110	M45 G46 T52 G53 G54 I56 F60	M45-I49 WeakPolarHBondContact O-CD1 3.14Å; M45-I49 VanDerWaalsContact O-CG1 3.23Å; M45-I49 WeakPolarHBondContact O-CG1 3.27Å; M45-I49 PolarHBondContact O-N 3.49Å; G46-I49 PolarHBondContact O-N 3.37Å; I49-T52 PolarHBondContact O-N 3.27Å; I49-T52 PolarHBondContact O-OG1 2.73Å; I49-G53 PolarHBondContact O-N 3.36Å; I49-G54 WeakPolarHBondContact O-CA 3.21Å; I49-G54 PolarHBondContact O-N 3.47Å; I49-I56 HydrophobicContact CB-CD1 4.21Å; I49-I56 HydrophobicContact CG2-CD1 3.94Å; I49-F60 HydrophobicContact CD1-CE2 3.67Å; I49-F60 HydrophobicContact CD1-CZ 3.67Å
50	L	90.8	Very high	84.7	Confident	12 Å²	12	43.7 Å²	43.7	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-42.7	178.9	-73	162.7	0	0	0	112	G46 E47 E48 T52 G53 I56 F65 V67 I78 I196	G46-L50 WeakPolarHBondContact O-CB 3.44Å; G46-L50 WeakPolarHBondContact O-CD1 3Å; G46-L50 VanDerWaalsContact O-CG 3.26Å; G46-L50 WeakPolarHBondContact O-CG 3.34Å; G46-L50 PolarHBondContact O-N 2.92Å; E47-L50 PolarHBondContact O-N 3.24Å; E48-L50 VanDerWaalsContact C-N 3.35Å; L50-T52 VanDerWaalsContact C-N 3.3Å; L50-T52 PolarHBondContact O-N 3.37Å; L50-G53 PolarHBondContact O-N 3.13Å; L50-I56 HydrophobicContact CD1-CD1 4.08Å; L50-I56 HydrophobicContact CD1-CG1 4.19Å; L50-I56 HydrophobicContact CD2-CD1 4.06Å; L50-I56 HydrophobicContact CD2-CG1 3.57Å; L50-I56 HydrophobicContact CG-CD1 3.7Å; L50-I56 HydrophobicContact CG-CG1 3.8Å; L50-F65 HydrophobicContact CD1-CB 3.53Å; L50-F65 HydrophobicContact CD1-CD1 4.44Å; L50-F65 HydrophobicContact CD1-CD2 4.02Å; L50-F65 HydrophobicContact CD1-CG 3.74Å; L50-V67 HydrophobicContact CB-CG1 3.96Å; L50-V67 HydrophobicContact CD1-CG1 3.71Å; L50-V67 HydrophobicContact CG-CG1 4.33Å; L50-I78 HydrophobicContact CD2-CB 4.43Å; L50-I78 HydrophobicContact CD2-CG1 4.37Å; L50-I78 HydrophobicContact CD2-CG2 3.48Å; L50-I78 VanDerWaalsContact CD2-CG2 3.48Å; L50-I196 HydrophobicContact CD1-CD1 3.77Å; L50-I196 HydrophobicContact CD1-CG1 4.32Å; L50-I196 HydrophobicContact CD2-CD1 3.99Å
51	R	87.9	Confident	85	Confident	79 Å²	79	42.2 Å²	42.2	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-58.9	-40.6	177.8	-174.4	176.1	179.7	-175.6	-0.2	112.6	E47 E48 G53 E70 R71 I285 D288	E47-R51 WeakPolarHBondContact O-CB 3.31Å; E47-R51 PolarHBondContact O-N 3.33Å; E48-R51 PolarHBondContact O-N 2.77Å; E48-R51 IonicContact OE1-NH1 2.74Å; R51-G53 VanDerWaalsContact C-N 3.26Å; R51-G53 PolarHBondContact O-N 2.94Å; R51-E70 WeakPolarHBondContact CG-OE1 3.47Å; R51-E70 IonicContact CZ-OE2 3.21Å; R51-E70 IonicContact NE-OE1 2.91Å; R51-E70 PolarHBondContact NE-OE1 2.78Å; R51-E70 IonicContact NE-OE2 2.67Å; R51-E70 IonicContact NH2-OE2 3.77Å; R51-R71 PolarHBondContact O-NH2 2.94Å; R51-I285 HydrophobicContact CB-CD1 4.08Å; R51-I285 HydrophobicContact CG-CD1 4.22Å; R51-D288 IonicContact CZ-OD2 3.16Å; R51-D288 IonicContact NH1-OD2 3.4Å; R51-D288 PolarHBondContact NH1-OD2 2.75Å; R51-D288 IonicContact NH2-OD2 3.64Å
52	T	87.1	Confident	85.2	Confident	101 Å²	101	37.9 Å²	37.9	62%	0.62	21%	0.206	S	C	*	.	H	α-helix	trans	-78.6	-8.3	177.4	53.4	0	0	0	0	113.4	E48 I49 L50	E48-T52 WeakPolarHBondContact O-CG2 3.48Å; E48-T52 PolarHBondContact O-N 3.39Å; E48-T52 PolarHBondContact O-OG1 2.87Å; I49-T52 PolarHBondContact O-N 3.27Å; I49-T52 PolarHBondContact O-OG1 2.73Å; L50-T52 VanDerWaalsContact C-N 3.3Å; L50-T52 PolarHBondContact O-N 3.37Å
53	G	84.5	Confident	85.3	Confident	45 Å²	45	37.8 Å²	37.8	46%	0.464	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	20.6	-177.5	0	0	0	0	0	113.6	I49 L50 R51	I49-G53 PolarHBondContact O-N 3.36Å; L50-G53 PolarHBondContact O-N 3.13Å; R51-G53 VanDerWaalsContact C-N 3.26Å; R51-G53 PolarHBondContact O-N 2.94Å
54	G	85.3	Confident	85.6	Confident	26 Å²	26	36.2 Å²	36.2	27%	0.268	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-75.7	173.8	174.9	0	0	0	0	0	113.5	I49	I49-G54 WeakPolarHBondContact O-CA 3.21Å; I49-G54 PolarHBondContact O-N 3.47Å
55	V	85	Confident	86	Confident	51 Å²	51	31.7 Å²	31.7	31%	0.309	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.9	-176.4	-175.7	0	0	0	0	110.6	Q79 F81	V55-Q79 HydrophobicContact CG1-CB 4.48Å; V55-Q79 HydrophobicContact CG1-CG 4.06Å; V55-Q79 HydrophobicContact CG2-CB 4.18Å; V55-Q79 HydrophobicContact CG2-CG 3.96Å; V55-F81 HydrophobicContact CG1-CB 3.8Å
56	I	88.2	Confident	86.4	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.3	170.7	-64.8	-55.3	0	0	0	109.1	I49 L50 F60 F65 Q79 Y80 F81 F198	I49-I56 HydrophobicContact CB-CD1 4.21Å; I49-I56 HydrophobicContact CG2-CD1 3.94Å; L50-I56 HydrophobicContact CD1-CD1 4.08Å; L50-I56 HydrophobicContact CD1-CG1 4.19Å; L50-I56 HydrophobicContact CD2-CD1 4.06Å; L50-I56 HydrophobicContact CD2-CG1 3.57Å; L50-I56 HydrophobicContact CG-CD1 3.7Å; L50-I56 HydrophobicContact CG-CG1 3.8Å; I56-F60 HydrophobicContact CG2-CB 3.7Å; I56-F60 HydrophobicContact CG2-CD2 4.35Å; I56-F60 HydrophobicContact CG2-CG 4.37Å; I56-F65 HydrophobicContact CG2-CE2 4.42Å; I56-Q79 PolarHBondContact N-O 2.75Å; I56-Y80 HydrophobicContact CB-CD2 3.92Å; I56-Y80 HydrophobicContact CG2-CD2 3.62Å; I56-Y80 HydrophobicContact CG2-CE2 3.97Å; I56-Y80 CarbonylContact O-C 3.55Å; I56-Y80 WeakPolarHBondContact O-CA 3.25Å; I56-Y80 VanDerWaalsContact O-CD2 3.26Å; I56-Y80 WeakPolarHBondContact O-CD2 3.45Å; I56-F81 PolarHBondContact O-N 3.19Å; I56-F198 HydrophobicContact CG2-CD2 4.34Å
57	T	82.4	Confident	86.6	Confident	52 Å²	52	29 Å²	29	32%	0.319	17%	0.17	S	C	.	.			trans	-109.2	177	-179.9	65.4	0	0	0	0	111.9	L59 F60	T57-L59 PolarHBondContact O-N 2.83Å; T57-L59 VanDerWaalsContact O-N 3.13Å; T57-F60 WeakPolarHBondContact O-CB 3.3Å; T57-F60 PolarHBondContact O-N 2.76Å; T57-F60 VanDerWaalsContact O-N 3.07Å
58	Q	72.9	Confident	86.8	Confident	38 Å²	38	29 Å²	29	18%	0.178	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61	-20.9	179.1	-161.1	-175.6	28.3	0	0	114	F60 D61 R86 E116	Q58-F60 PolarHBondContact O-N 2.9Å; Q58-D61 HydrophobicContact CG-CB 4.41Å; Q58-D61 VanDerWaalsContact O-CB 3.3Å; Q58-D61 WeakPolarHBondContact O-CB 2.85Å; Q58-D61 PolarHBondContact O-N 3.37Å; Q58-R86 VanDerWaalsContact NE2-NH1 3.11Å; Q58-E116 WeakPolarHBondContact CB-OE1 3.41Å; Q58-E116 PolarHBondContact OE1-OE2 2.93Å
59	L	72.5	Confident	86.9	Confident	59 Å²	59	26.6 Å²	26.6	31%	0.309	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-54.4	-27.7	173.5	-178.3	64.5	0	0	0	112.3	L42 T57 Y120	L42-L59 HydrophobicContact CD2-CD2 4.33Å; L42-L59 HydrophobicContact CD2-CG 4.21Å; T57-L59 PolarHBondContact O-N 2.83Å; T57-L59 VanDerWaalsContact O-N 3.13Å; L59-Y120 WeakPolarHBondContact CD1-O 3.33Å
60	F	83.8	Confident	86.9	Confident	7 Å²	7	26.8 Å²	26.8	3%	0.031	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-101.4	14.6	-176.6	-64.9	-68	0	0	0	113	L42 M45 I49 I56 T57 Q58 A62 I63 F65	L42-F60 HydrophobicContact CB-CD1 4.41Å; L42-F60 HydrophobicContact CB-CE1 4.35Å; L42-F60 HydrophobicContact CD2-CE1 4.05Å; L42-F60 WeakPolarHBondContact O-CD1 3.45Å; L42-F60 VanDerWaalsContact O-CE1 3.22Å; L42-F60 WeakPolarHBondContact O-CE1 3.22Å; M45-F60 HydrophobicContact CB-CE1 4.04Å; M45-F60 HydrophobicContact CB-CZ 4.18Å; I49-F60 HydrophobicContact CD1-CE2 3.67Å; I49-F60 HydrophobicContact CD1-CZ 3.67Å; I56-F60 HydrophobicContact CG2-CB 3.7Å; I56-F60 HydrophobicContact CG2-CD2 4.35Å; I56-F60 HydrophobicContact CG2-CG 4.37Å; T57-F60 WeakPolarHBondContact O-CB 3.3Å; T57-F60 PolarHBondContact O-N 2.76Å; T57-F60 VanDerWaalsContact O-N 3.07Å; Q58-F60 PolarHBondContact O-N 2.9Å; F60-A62 PolarHBondContact O-N 3.26Å; F60-I63 PolarHBondContact O-N 2.79Å; F60-F65 HydrophobicContact CB-CE2 4.11Å; F60-F65 HydrophobicContact CB-CZ 3.67Å; F60-F65 HydrophobicContact CD1-CE1 4.21Å; F60-F65 AromaticContact CD1-CZ 3.84Å; F60-F65 HydrophobicContact CD1-CZ 3.84Å; F60-F65 HydrophobicContact CG-CZ 4.04Å
61	D	81.5	Confident	86.8	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.064	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133.3	-178.8	-171.1	80.6	0	0	0	111.7	Q58 I63 S199 T200 R201	Q58-D61 HydrophobicContact CG-CB 4.41Å; Q58-D61 VanDerWaalsContact O-CB 3.3Å; Q58-D61 WeakPolarHBondContact O-CB 2.85Å; Q58-D61 PolarHBondContact O-N 3.37Å; D61-I63 PolarHBondContact O-N 2.81Å; D61-I63 VanDerWaalsContact O-N 3.1Å; D61-S199 WeakPolarHBondContact OD1-CA 3.5Å; D61-S199 PolarHBondContact OD1-OG 2.82Å; D61-S199 PolarHBondContact OD2-OG 3.14Å; D61-T200 PolarHBondContact OD1-N 2.87Å; D61-T200 PolarHBondContact OD1-OG1 3.05Å; D61-R201 IonicContact OD2-NE 3.62Å; D61-R201 PolarHBondContact OD2-NE 3.45Å
62	A	80.5	Confident	86.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	13.3	175.4	0	0	0	0	0	115.6	F60 L124 R197 F198 M344	F60-A62 PolarHBondContact O-N 3.26Å; A62-L124 HydrophobicContact CB-CD1 4.06Å; A62-R197 PolarHBondContact O-NE 3.19Å; A62-R197 PolarHBondContact O-NH2 2.99Å; A62-F198 WeakPolarHBondContact CA-O 3.32Å; A62-F198 PolarHBondContact N-O 3.04Å; A62-M344 HydrophobicContact CB-CE 4.16Å; A62-M344 WeakPolarHBondContact O-CE 3.42Å
63	I	87.2	Confident	86.5	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	20%	0.195	C	C	.	.			trans	-88.5	132.6	170.6	-57.7	179.7	0	0	0	109.5	I39 L42 R43 F60 D61 F65 L122 R197	I39-I63 HydrophobicContact CD1-CG1 4.47Å; I39-I63 HydrophobicContact CG1-CD1 4.28Å; I39-I63 HydrophobicContact CG1-CG1 4.31Å; L42-I63 HydrophobicContact CB-CD1 3.59Å; L42-I63 HydrophobicContact CD1-CD1 4.1Å; L42-I63 HydrophobicContact CG-CD1 4.48Å; R43-I63 HydrophobicContact CB-CG2 4.14Å; R43-I63 HydrophobicContact CG-CG2 4.39Å; F60-I63 PolarHBondContact O-N 2.79Å; D61-I63 PolarHBondContact O-N 2.81Å; D61-I63 VanDerWaalsContact O-N 3.1Å; I63-F65 HydrophobicContact CB-CE1 4.17Å; I63-F65 HydrophobicContact CB-CE2 4.03Å; I63-F65 HydrophobicContact CB-CZ 3.59Å; I63-F65 HydrophobicContact CG2-CD1 4.22Å; I63-F65 HydrophobicContact CG2-CE1 3.6Å; I63-F65 HydrophobicContact CG2-CE2 4.23Å; I63-F65 HydrophobicContact CG2-CZ 3.57Å; I63-F65 WeakPolarHBondContact O-CD2 3.36Å; I63-F65 VanDerWaalsContact O-CE2 3.26Å; I63-F65 WeakPolarHBondContact O-CE2 3.42Å; I63-L122 HydrophobicContact CD1-CD1 3.98Å; I63-L122 HydrophobicContact CG1-CD1 4.45Å; I63-R197 WeakPolarHBondContact O-CG 3.19Å
64	E	92.1	Very high	86.6	Confident	12 Å²	12	34.7 Å²	34.7	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.1	172.8	-168.7	173.7	-93	0	0	109.7	R43 N195 I196 R197 Y211 I346	R43-E64 PolarHBondContact NE-O 3.17Å; E64-N195 HydrophobicContact CG-CB 3.86Å; E64-N195 PolarHBondContact OE2-ND2 2.82Å; E64-I196 CarbonylContact C-O 3.58Å; E64-I196 VanDerWaalsContact CA-O 3.32Å; E64-I196 WeakPolarHBondContact CA-O 3.4Å; E64-R197 HydrophobicContact CB-CB 4.27Å; E64-R197 HydrophobicContact CB-CG 4.19Å; E64-R197 HydrophobicContact CG-CB 4.34Å; E64-Y211 PolarHBondContact OE1-OH 3.16Å; E64-I346 HydrophobicContact CB-CG2 3.87Å
65	F	94.8	Very high	86.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.5	-178.1	-58.4	-73.2	0	0	0	110.6	R43 E47 L50 I56 F60 I63 N195 I196	R43-F65 HydrophobicContact CG-CD1 4.27Å; E47-F65 HydrophobicContact CG-CB 4.15Å; E47-F65 HydrophobicContact CG-CD1 4.07Å; L50-F65 HydrophobicContact CD1-CB 3.53Å; L50-F65 HydrophobicContact CD1-CD1 4.44Å; L50-F65 HydrophobicContact CD1-CD2 4.02Å; L50-F65 HydrophobicContact CD1-CG 3.74Å; I56-F65 HydrophobicContact CG2-CE2 4.42Å; F60-F65 HydrophobicContact CB-CE2 4.11Å; F60-F65 HydrophobicContact CB-CZ 3.67Å; F60-F65 HydrophobicContact CD1-CE1 4.21Å; F60-F65 AromaticContact CD1-CZ 3.84Å; F60-F65 HydrophobicContact CD1-CZ 3.84Å; F60-F65 HydrophobicContact CG-CZ 4.04Å; I63-F65 HydrophobicContact CB-CE1 4.17Å; I63-F65 HydrophobicContact CB-CE2 4.03Å; I63-F65 HydrophobicContact CB-CZ 3.59Å; I63-F65 HydrophobicContact CG2-CD1 4.22Å; I63-F65 HydrophobicContact CG2-CE1 3.6Å; I63-F65 HydrophobicContact CG2-CE2 4.23Å; I63-F65 HydrophobicContact CG2-CZ 3.57Å; I63-F65 WeakPolarHBondContact O-CD2 3.36Å; I63-F65 VanDerWaalsContact O-CE2 3.26Å; I63-F65 WeakPolarHBondContact O-CE2 3.42Å; F65-N195 CarbonylContact O-C 3.6Å; F65-N195 WeakPolarHBondContact O-CA 3.48Å; F65-I196 HydrophobicContact CB-CG1 4.08Å; F65-I196 PolarHBondContact N-O 2.81Å; F65-I196 PolarHBondContact O-N 3.48Å
66	S	95.3	Very high	87.1	Confident	5 Å²	5	35.5 Å²	35.5	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.1	172	-36	0	0	0	0	108.9	E47 P283	E47-S66 VanDerWaalsContact OE1-CB 3.23Å; E47-S66 WeakPolarHBondContact OE1-CB 2.96Å; E47-S66 PolarHBondContact OE1-N 3.36Å; E47-S66 PolarHBondContact OE1-OG 2.89Å; S66-P283 WeakPolarHBondContact OG-CB 3.49Å; S66-P283 WeakPolarHBondContact OG-CG 3.33Å
67	V	95	Very high	87.3	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.4	178.5	-62.5	0	0	0	0	111.2	L50 L76 T193 Y194 I196	L50-V67 HydrophobicContact CB-CG1 3.96Å; L50-V67 HydrophobicContact CD1-CG1 3.71Å; L50-V67 HydrophobicContact CG-CG1 4.33Å; V67-L76 HydrophobicContact CB-CD2 4.06Å; V67-L76 HydrophobicContact CG2-CD2 3.82Å; V67-T193 WeakPolarHBondContact O-CA 3.25Å; V67-Y194 HydrophobicContact CG2-CD2 4.28Å; V67-Y194 WeakPolarHBondContact CG2-O 3.35Å; V67-Y194 PolarHBondContact N-O 3.07Å; V67-Y194 PolarHBondContact O-N 2.88Å; V67-I196 HydrophobicContact CG1-CD1 3.82Å; V67-I196 HydrophobicContact CG1-CG1 4.09Å; V67-I196 HydrophobicContact CG2-CD1 4.33Å; V67-I196 HydrophobicContact CG2-CG1 4.37Å; V67-I196 HydrophobicContact CG2-CG2 4.01Å
68	V	94.5	Very high	87.8	Confident	6 Å²	6	36.5 Å²	36.5	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.4	-178.3	-174	0	0	0	0	109.2	E70 D192 T193 I285 F286 T289	V68-E70 HydrophobicContact CB-CG 4.11Å; V68-E70 HydrophobicContact CG1-CG 4.07Å; V68-E70 PolarHBondContact O-N 3.45Å; V68-E70 VanDerWaalsContact O-N 3.07Å; V68-D192 WeakPolarHBondContact CA-O 3.38Å; V68-T193 HydrophobicContact CG1-CG2 4.19Å; V68-T193 HydrophobicContact CG2-CG2 3.9Å; V68-I285 HydrophobicContact CB-CG1 4.48Å; V68-I285 HydrophobicContact CG2-CD1 4.36Å; V68-I285 HydrophobicContact CG2-CG1 3.97Å; V68-I285 HydrophobicContact CG2-CG2 4.48Å; V68-F286 HydrophobicContact CG2-CD1 3.52Å; V68-F286 HydrophobicContact CG2-CE1 3.72Å; V68-T289 HydrophobicContact CB-CG2 4.43Å; V68-T289 HydrophobicContact CG1-CG2 4.27Å
69	H	93	Very high	88.6	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.195	C	C	.	.			trans	-77.9	88.8	170.4	-165.2	178.4	0	0	0	109.7	R71 T73 G188 N189 I190 G191 D192	H69-R71 PolarHBondContact CD2-O 2.98Å; H69-R71 PolarHBondContact NE2-O 3Å; H69-T73 PolarHBondContact CE1-O 2.92Å; H69-T73 PolarHBondContact NE2-O 3.01Å; H69-T73 PolarHBondContact NE2-OG1 2.91Å; H69-G188 PolarHBondContact CE1-O 2.93Å; H69-G188 PolarHBondContact ND1-O 3.38Å; H69-N189 WeakPolarHBondContact CB-O 3.36Å; H69-N189 PolarHBondContact ND1-O 3Å; H69-I190 CarbonylContact O-C 3.58Å; H69-I190 WeakPolarHBondContact O-CA 3.37Å; H69-G191 PolarHBondContact O-N 2.69Å; H69-D192 PolarHBondContact N-O 2.78Å
70	E	90.9	Very high	89.4	Confident	51 Å²	51	33.9 Å²	33.9	24%	0.238	18%	0.18	C	C	.	.			trans	-86.8	-22.3	-176.2	-68.2	178.4	-115.7	0	0	113.7	R51 V68 T289 L292	R51-E70 WeakPolarHBondContact CG-OE1 3.47Å; R51-E70 IonicContact CZ-OE2 3.21Å; R51-E70 IonicContact NE-OE1 2.91Å; R51-E70 PolarHBondContact NE-OE1 2.78Å; R51-E70 IonicContact NE-OE2 2.67Å; R51-E70 IonicContact NH2-OE2 3.77Å; V68-E70 HydrophobicContact CB-CG 4.11Å; V68-E70 HydrophobicContact CG1-CG 4.07Å; V68-E70 PolarHBondContact O-N 3.45Å; V68-E70 VanDerWaalsContact O-N 3.07Å; E70-T289 HydrophobicContact CG-CG2 3.57Å; E70-T289 WeakPolarHBondContact OE2-CG2 2.98Å; E70-L292 HydrophobicContact CB-CD1 4.42Å; E70-L292 HydrophobicContact CG-CD1 4.24Å
71	R	87.4	Confident	89.4	Confident	144 Å²	144	34 Å²	34	54%	0.543	18%	0.181	S	C	.	.	S	Bend	trans	-96.2	154.2	-171	-59.4	-178.9	-170.5	177.8	4.6	111	R51 H69 T73	R51-R71 PolarHBondContact O-NH2 2.94Å; H69-R71 PolarHBondContact CD2-O 2.98Å; H69-R71 PolarHBondContact NE2-O 3Å; R71-T73 HydrophobicContact CB-CG2 4.45Å; R71-T73 PolarHBondContact O-N 3.17Å; R71-T73 VanDerWaalsContact O-N 3.11Å
72	S	82.4	Confident	89.3	Confident	113 Å²	113	33.5 Å²	33.5	79%	0.79	18%	0.178	S	C	*	.	S	Bend	trans	-71.9	3.7	175.1	59.7	0	0	0	0	114.7
73	T	87.5	Confident	89	Confident	68 Å²	68	33.6 Å²	33.6	42%	0.417	18%	0.179	S	C	.	.	S	Bend	trans	-60.9	152.8	173.2	44.2	0	0	0	0	110.5	H69 R71 Y75	H69-T73 PolarHBondContact CE1-O 2.92Å; H69-T73 PolarHBondContact NE2-O 3.01Å; H69-T73 PolarHBondContact NE2-OG1 2.91Å; R71-T73 HydrophobicContact CB-CG2 4.45Å; R71-T73 PolarHBondContact O-N 3.17Å; R71-T73 VanDerWaalsContact O-N 3.11Å; T73-Y75 PolarHBondContact O-N 2.88Å; T73-Y75 PolarHBondContact OG1-O 2.93Å; T73-Y75 VanDerWaalsContact OG1-O 3.11Å
74	S	85.5	Confident	88.2	Confident	78 Å²	78	40.5 Å²	40.5	55%	0.545	21%	0.206	S	C	.	.	S	Bend	trans	-73.3	-10.8	177.2	63	0	0	0	0	113.4	Y187	S74-Y187 WeakPolarHBondContact O-CD1 3.33Å
75	Y	90.1	Very high	87.3	Confident	66 Å²	66	44.2 Å²	44.2	26%	0.259	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.7	179.4	61	-92.8	0	0	0	112.3	T73 N77 R185 L186 Y187	T73-Y75 PolarHBondContact O-N 2.88Å; T73-Y75 PolarHBondContact OG1-O 2.93Å; T73-Y75 VanDerWaalsContact OG1-O 3.11Å; Y75-N77 HydrophobicContact CD2-CB 4.22Å; Y75-N77 HydrophobicContact CE2-CB 4.05Å; Y75-R185 HydrophobicContact CD2-CB 3.85Å; Y75-R185 HydrophobicContact CD2-CG 3.62Å; Y75-R185 VanDerWaalsContact CE2-CD 3.49Å; Y75-R185 HydrophobicContact CE2-CG 3.81Å; Y75-R185 HydrophobicContact CG-CB 4.12Å; Y75-R185 HydrophobicContact CG-CG 4.27Å; Y75-L186 CarbonylContact C-O 3.43Å; Y75-L186 WeakPolarHBondContact CA-O 3.34Å; Y75-L186 WeakPolarHBondContact CB-O 3.38Å; Y75-Y187 AromaticContact CD1-CE1 3.91Å; Y75-Y187 HydrophobicContact CD1-CE1 3.91Å; Y75-Y187 HydrophobicContact CG-CE1 4.37Å
76	L	91.5	Very high	86.4	Confident	28 Å²	28	47.1 Å²	47.1	15%	0.147	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.2	165.4	176.5	65.8	0	0	0	109	V67 I78 R185 L186 Y194	V67-L76 HydrophobicContact CB-CD2 4.06Å; V67-L76 HydrophobicContact CG2-CD2 3.82Å; L76-I78 HydrophobicContact CD2-CD1 4.27Å; L76-I78 HydrophobicContact CD2-CG1 4.5Å; L76-I78 HydrophobicContact CG-CD1 4.45Å; L76-I78 HydrophobicContact CG-CG1 4.29Å; L76-R185 WeakPolarHBondContact O-CA 3.32Å; L76-L186 HydrophobicContact CB-CB 4.37Å; L76-L186 HydrophobicContact CD2-CD1 4.45Å; L76-L186 PolarHBondContact N-O 2.98Å; L76-L186 PolarHBondContact O-N 3.26Å; L76-Y194 HydrophobicContact CD2-CD2 4.42Å
77	N	91.8	Very high	85.6	Confident	69 Å²	69	48 Å²	48	37%	0.369	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.9	176.5	-169.2	53.8	0	0	0	110.8	Y75	Y75-N77 HydrophobicContact CD2-CB 4.22Å; Y75-N77 HydrophobicContact CE2-CB 4.05Å
78	I	92.8	Very high	85	Confident	4 Å²	4	48 Å²	48	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.7	177.9	-61.3	152.8	0	0	0	108.7	L50 L76 N183 V184 L186 I196 F198	L50-I78 HydrophobicContact CD2-CB 4.43Å; L50-I78 HydrophobicContact CD2-CG1 4.37Å; L50-I78 HydrophobicContact CD2-CG2 3.48Å; L50-I78 VanDerWaalsContact CD2-CG2 3.48Å; L76-I78 HydrophobicContact CD2-CD1 4.27Å; L76-I78 HydrophobicContact CD2-CG1 4.5Å; L76-I78 HydrophobicContact CG-CD1 4.45Å; L76-I78 HydrophobicContact CG-CG1 4.29Å; I78-N183 CarbonylContact O-C 3.5Å; I78-N183 WeakPolarHBondContact O-CA 3.47Å; I78-V184 HydrophobicContact CB-CB 4.42Å; I78-V184 PolarHBondContact N-O 3.49Å; I78-V184 PolarHBondContact O-N 2.03Å; I78-L186 HydrophobicContact CD1-CD1 3.57Å; I78-L186 HydrophobicContact CD1-CG 4.07Å; I78-I196 HydrophobicContact CD1-CD1 3.58Å; I78-I196 HydrophobicContact CD1-CG2 4.13Å; I78-I196 HydrophobicContact CG1-CD1 4.07Å; I78-I196 HydrophobicContact CG2-CD1 3.82Å; I78-F198 HydrophobicContact CB-CZ 4.5Å; I78-F198 HydrophobicContact CG2-CE2 3.63Å; I78-F198 HydrophobicContact CG2-CZ 3.43Å; I78-F198 VanDerWaalsContact CG2-CZ 3.43Å
79	Q	90.1	Very high	84.6	Confident	41 Å²	41	47.8 Å²	47.8	19%	0.192	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.2	179	-168.7	170.3	11.5	0	0	111.1	V55 I56 S107 L182 N183	V55-Q79 HydrophobicContact CG1-CB 4.48Å; V55-Q79 HydrophobicContact CG1-CG 4.06Å; V55-Q79 HydrophobicContact CG2-CB 4.18Å; V55-Q79 HydrophobicContact CG2-CG 3.96Å; I56-Q79 PolarHBondContact N-O 2.75Å; Q79-S107 PolarHBondContact NE2-OG 3.17Å; Q79-L182 CarbonylContact C-O 3.55Å; Q79-L182 WeakPolarHBondContact CA-O 3.47Å; Q79-N183 WeakPolarHBondContact CB-OD1 3.35Å; Q79-N183 VanDerWaalsContact CD-OD1 3.3Å; Q79-N183 WeakPolarHBondContact CG-OD1 3.47Å
80	Y	89	Confident	84.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.9	178	177.2	-124.9	0	0	0	110.7	I56 I82 S181 L182 F198	I56-Y80 HydrophobicContact CB-CD2 3.92Å; I56-Y80 HydrophobicContact CG2-CD2 3.62Å; I56-Y80 HydrophobicContact CG2-CE2 3.97Å; I56-Y80 CarbonylContact O-C 3.55Å; I56-Y80 WeakPolarHBondContact O-CA 3.25Å; I56-Y80 VanDerWaalsContact O-CD2 3.26Å; I56-Y80 WeakPolarHBondContact O-CD2 3.45Å; Y80-I82 HydrophobicContact CD1-CB 4.47Å; Y80-I82 HydrophobicContact CD1-CD1 4.19Å; Y80-I82 HydrophobicContact CD1-CG1 3.29Å; Y80-I82 HydrophobicContact CE1-CB 4.24Å; Y80-I82 HydrophobicContact CE1-CG1 3.42Å; Y80-I82 VanDerWaalsContact CE1-CG1 3.42Å; Y80-I82 HydrophobicContact CG-CG1 4.27Å; Y80-S181 CarbonylContact O-C 3.4Å; Y80-S181 WeakPolarHBondContact O-CA 3.39Å; Y80-S181 WeakPolarHBondContact O-CB 3.48Å; Y80-L182 PolarHBondContact N-O 2.78Å; Y80-L182 PolarHBondContact O-N 2.93Å; Y80-F198 HydrophobicContact CD1-CB 3.79Å; Y80-F198 AromaticContact CD1-CD1 3.5Å; Y80-F198 HydrophobicContact CD1-CD1 3.5Å; Y80-F198 HydrophobicContact CD1-CE1 4.34Å; Y80-F198 AromaticContact CD1-CG 3.84Å; Y80-F198 HydrophobicContact CD1-CG 3.84Å; Y80-F198 HydrophobicContact CD2-CB 3.73Å; Y80-F198 HydrophobicContact CD2-CD1 4.21Å; Y80-F198 HydrophobicContact CD2-CD2 4.25Å; Y80-F198 AromaticContact CD2-CG 3.81Å; Y80-F198 HydrophobicContact CD2-CG 3.81Å; Y80-F198 HydrophobicContact CE1-CB 3.76Å; Y80-F198 HydrophobicContact CE1-CD1 4.27Å; Y80-F198 HydrophobicContact CE1-CG 4.34Å; Y80-F198 HydrophobicContact CE2-CB 3.72Å; Y80-F198 HydrophobicContact CE2-CG 4.32Å; Y80-F198 HydrophobicContact CG-CB 3.78Å; Y80-F198 AromaticContact CG-CD1 3.47Å; Y80-F198 HydrophobicContact CG-CD1 3.47Å; Y80-F198 VanDerWaalsContact CG-CD1 3.47Å; Y80-F198 HydrophobicContact CG-CD2 4.24Å; Y80-F198 HydrophobicContact CG-CE1 4.09Å; Y80-F198 AromaticContact CG-CG 3.56Å; Y80-F198 HydrophobicContact CG-CG 3.56Å
81	F	83.7	Confident	84.6	Confident	11 Å²	11	45.3 Å²	45.3	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.7	172.5	-178	-102	0	0	0	109.9	V55 I56 A109 Y110 W114 E116 D180	V55-F81 HydrophobicContact CG1-CB 3.8Å; I56-F81 PolarHBondContact O-N 3.19Å; F81-A109 HydrophobicContact CD2-CB 4.24Å; F81-Y110 HydrophobicContact CD2-CD2 4.12Å; F81-Y110 HydrophobicContact CD2-CE2 4.25Å; F81-Y110 AromaticContact CE2-CD2 3.61Å; F81-Y110 HydrophobicContact CE2-CD2 3.61Å; F81-Y110 HydrophobicContact CE2-CE2 4.05Å; F81-Y110 HydrophobicContact CZ-CD2 4.16Å; F81-Y110 HydrophobicContact CZ-CE2 4.43Å; F81-W114 HydrophobicContact CZ-CB 4.44Å; F81-E116 HydrophobicContact CE1-CG 4.37Å; F81-D180 HydrophobicContact CD2-CB 4.43Å; F81-D180 HydrophobicContact CE2-CB 3.87Å
82	I	79.5	Confident	85	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.			trans	-99.3	-34.1	-174.5	-56.2	148.8	0	0	0	110.2	Y80 R86 L88 Y177 D180 L182 T200	Y80-I82 HydrophobicContact CD1-CB 4.47Å; Y80-I82 HydrophobicContact CD1-CD1 4.19Å; Y80-I82 HydrophobicContact CD1-CG1 3.29Å; Y80-I82 HydrophobicContact CE1-CB 4.24Å; Y80-I82 HydrophobicContact CE1-CG1 3.42Å; Y80-I82 VanDerWaalsContact CE1-CG1 3.42Å; Y80-I82 HydrophobicContact CG-CG1 4.27Å; I82-R86 HydrophobicContact CG2-CB 3.88Å; I82-R86 WeakPolarHBondContact O-CD 3.49Å; I82-L88 HydrophobicContact CD1-CB 4.12Å; I82-L88 HydrophobicContact CD1-CD2 3.41Å; I82-L88 VanDerWaalsContact CD1-CD2 3.41Å; I82-L88 HydrophobicContact CD1-CG 4.35Å; I82-L88 HydrophobicContact CG1-CB 4.26Å; I82-L88 HydrophobicContact CG1-CD2 4.4Å; I82-L88 HydrophobicContact CG2-CB 4.04Å; I82-Y177 HydrophobicContact CD1-CD1 3.71Å; I82-Y177 HydrophobicContact CD1-CE1 4.11Å; I82-Y177 HydrophobicContact CD1-CG 4.29Å; I82-D180 PolarHBondContact N-O 3.34Å; I82-L182 HydrophobicContact CD1-CB 3.58Å; I82-T200 HydrophobicContact CG2-CG2 4.25Å
83	G	74.1	Confident	85.6	Confident	2 Å²	2	33.1 Å²	33.1	2%	0.021	17%	0.167	C	C	.	.			trans	88.2	160.4	-165	0	0	0	0	0	112.5	D180	G83-D180 PolarHBondContact N-O 3.16Å
84	Y	71.2	Confident	85.9	Confident	147 Å²	147	30 Å²	30	58%	0.576	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	138.4	-171.1	-163	-103.5	0	0	0	113.1	R86	Y84-R86 PolarHBondContact O-N 2.93Å; Y84-R86 VanDerWaalsContact O-N 3.16Å
85	N	74	Confident	86.4	Confident	90 Å²	90	26.2 Å²	26.2	48%	0.481	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	28.9	172.1	-164.2	24.4	0	0	0	115	K176 Y177	N85-K176 WeakPolarHBondContact OD1-CB 3.33Å; N85-K176 VanDerWaalsContact OD1-CG 3.23Å; N85-K176 WeakPolarHBondContact OD1-CG 3.38Å; N85-Y177 PolarHBondContact N-O 3.27Å
86	R	75.3	Confident	86.5	Confident	61 Å²	61	24.7 Å²	24.7	23%	0.23	12%	0.119	C	C	.	.			trans	-97.1	158.8	178.3	-74.1	-171.4	-179.5	175.7	4.1	112.2	Q58 I82 Y84 E116 K176 Y177	Q58-R86 VanDerWaalsContact NE2-NH1 3.11Å; I82-R86 HydrophobicContact CG2-CB 3.88Å; I82-R86 WeakPolarHBondContact O-CD 3.49Å; Y84-R86 PolarHBondContact O-N 2.93Å; Y84-R86 VanDerWaalsContact O-N 3.16Å; R86-E116 IonicContact CZ-OE2 3.54Å; R86-E116 IonicContact NH1-OE2 2.98Å; R86-E116 PolarHBondContact NH1-OE2 3.39Å; R86-E116 IonicContact NH2-OE2 2.8Å; R86-E116 PolarHBondContact NH2-OE2 2.81Å; R86-K176 PolarHBondContact O-N 2.76Å; R86-Y177 PolarHBondContact O-N 3.24Å
87	S	78.5	Confident	86.3	Confident	24 Å²	24	25.7 Å²	25.7	17%	0.168	13%	0.125	C	C	.	.			trans	-78.3	143.8	167.5	-56.2	0	0	0	0	108.5	Q174 T200	S87-Q174 CarbonylContact C-O 3.57Å; S87-Q174 WeakPolarHBondContact CA-O 3.31Å; S87-T200 CarbonylContact O-C 3.58Å; S87-T200 VanDerWaalsContact O-CA 3.28Å; S87-T200 WeakPolarHBondContact O-CA 3.28Å
88	L	83.1	Confident	86.1	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.2	175.6	82	87.5	0	0	0	110.1	I82 F90 F172 T173 Q174 Y177 L182 S199	I82-L88 HydrophobicContact CD1-CB 4.12Å; I82-L88 HydrophobicContact CD1-CD2 3.41Å; I82-L88 VanDerWaalsContact CD1-CD2 3.41Å; I82-L88 HydrophobicContact CD1-CG 4.35Å; I82-L88 HydrophobicContact CG1-CB 4.26Å; I82-L88 HydrophobicContact CG1-CD2 4.4Å; I82-L88 HydrophobicContact CG2-CB 4.04Å; L88-F90 HydrophobicContact CD1-CB 4.48Å; L88-F172 HydrophobicContact CD1-CD1 3.69Å; L88-F172 HydrophobicContact CD1-CE1 3.82Å; L88-F172 HydrophobicContact CD2-CE1 4.49Å; L88-T173 WeakPolarHBondContact O-CA 3.37Å; L88-Q174 HydrophobicContact CD2-CB 4.34Å; L88-Q174 HydrophobicContact CG-CB 4.24Å; L88-Q174 PolarHBondContact N-O 2.62Å; L88-Q174 PolarHBondContact O-N 3.26Å; L88-Y177 HydrophobicContact CD2-CD1 3.9Å; L88-Y177 HydrophobicContact CD2-CD2 3.29Å; L88-Y177 HydrophobicContact CD2-CE1 4.27Å; L88-Y177 HydrophobicContact CD2-CE2 3.76Å; L88-Y177 HydrophobicContact CD2-CG 3.41Å; L88-Y177 VanDerWaalsContact CD2-CG 3.41Å; L88-Y177 HydrophobicContact CG-CD2 4.49Å; L88-L182 HydrophobicContact CD1-CD2 3.9Å; L88-L182 HydrophobicContact CD2-CD2 4.25Å; L88-S199 CarbonylContact C-O 3.6Å; L88-S199 WeakPolarHBondContact CA-O 3.44Å
89	W	85.6	Confident	85.8	Confident	3 Å²	3	25.3 Å²	25.3	1%	0.011	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.4	170	171	85	0	0	0	108.4	T91 H171 F172 T173 R197 F198 S199 P204 Y211	W89-T91 VanDerWaalsContact CH2-CB 3.46Å; W89-T91 HydrophobicContact CH2-CG2 4.23Å; W89-T91 VanDerWaalsContact CH2-OG1 3.31Å; W89-T91 WeakPolarHBondContact CH2-OG1 3.3Å; W89-T91 HydrophobicContact CZ2-CG2 4.07Å; W89-T91 WeakPolarHBondContact CZ2-OG1 3.43Å; W89-T91 PolarHBondContact NE1-OG1 2.66Å; W89-H171 AromaticContact CE2-ND1 3.9Å; W89-H171 AromaticContact CZ2-ND1 3.6Å; W89-H171 AromaticContact NE1-ND1 3.61Å; W89-F172 CarbonylContact C-O 3.56Å; W89-F172 WeakPolarHBondContact CA-O 3.28Å; W89-T173 HydrophobicContact CB-CG2 4.33Å; W89-T173 HydrophobicContact CG-CG2 4.31Å; W89-R197 HydrophobicContact CH2-CB 3.83Å; W89-R197 HydrophobicContact CH2-CG 3.91Å; W89-R197 HydrophobicContact CZ3-CB 3.72Å; W89-R197 HydrophobicContact CZ3-CG 3.56Å; W89-F198 CarbonylContact O-C 3.49Å; W89-F198 WeakPolarHBondContact O-CA 3.45Å; W89-S199 PolarHBondContact N-O 3.36Å; W89-S199 PolarHBondContact O-N 2.87Å; W89-P204 VanDerWaalsContact CE2-CB 3.49Å; W89-P204 HydrophobicContact CH2-CB 4.34Å; W89-P204 HydrophobicContact CZ2-CB 3.35Å; W89-P204 HydrophobicContact CZ2-CG 4.3Å; W89-Y211 AromaticContact CH2-CE2 3.85Å; W89-Y211 HydrophobicContact CH2-CE2 3.85Å; W89-Y211 AromaticContact CZ2-CE2 3.96Å; W89-Y211 HydrophobicContact CZ2-CE2 3.96Å
90	F	91	Very high	85.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.2	174	167.8	-105.9	0	0	0	109.2	L88 V92 F104 H171 F172 L182 V184 I196 R197 F198	L88-F90 HydrophobicContact CD1-CB 4.48Å; F90-V92 HydrophobicContact CE1-CB 3.83Å; F90-V92 HydrophobicContact CE1-CG1 3.84Å; F90-V92 HydrophobicContact CZ-CB 3.72Å; F90-V92 HydrophobicContact CZ-CG1 4.24Å; F90-F104 AromaticContact CD1-CE1 3.51Å; F90-F104 HydrophobicContact CD1-CE1 3.51Å; F90-F104 AromaticContact CD1-CZ 3.91Å; F90-F104 HydrophobicContact CD1-CZ 3.91Å; F90-F104 AromaticContact CE1-CE1 3.86Å; F90-F104 HydrophobicContact CE1-CE1 3.86Å; F90-F104 HydrophobicContact CE1-CZ 4.14Å; F90-F104 HydrophobicContact CG-CE1 4.32Å; F90-H171 CarbonylContact O-C 3.6Å; F90-H171 WeakPolarHBondContact O-CA 3.48Å; F90-F172 HydrophobicContact CB-CB 4.28Å; F90-F172 HydrophobicContact CD1-CB 4.27Å; F90-F172 PolarHBondContact N-O 2.88Å; F90-F172 PolarHBondContact O-N 3.15Å; F90-L182 HydrophobicContact CB-CD2 4.4Å; F90-V184 HydrophobicContact CD2-CG2 4.43Å; F90-V184 HydrophobicContact CE1-CG1 3.88Å; F90-V184 HydrophobicContact CE1-CG2 4.46Å; F90-V184 HydrophobicContact CE2-CG2 4.29Å; F90-V184 HydrophobicContact CZ-CB 4.44Å; F90-V184 HydrophobicContact CZ-CG1 3.79Å; F90-V184 HydrophobicContact CZ-CG2 4.3Å; F90-I196 HydrophobicContact CE2-CB 4.02Å; F90-I196 HydrophobicContact CE2-CG2 4.14Å; F90-I196 HydrophobicContact CZ-CG2 4.21Å; F90-R197 CarbonylContact C-O 3.54Å; F90-R197 WeakPolarHBondContact CA-O 3.3Å; F90-F198 HydrophobicContact CB-CD1 4.3Å; F90-F198 HydrophobicContact CB-CE1 4.34Å; F90-F198 AromaticContact CD2-CD1 3.61Å; F90-F198 HydrophobicContact CD2-CD1 3.61Å; F90-F198 AromaticContact CD2-CE1 3.16Å; F90-F198 HydrophobicContact CD2-CE1 3.16Å; F90-F198 HydrophobicContact CD2-CE2 4.35Å; F90-F198 HydrophobicContact CD2-CG 4.36Å; F90-F198 AromaticContact CD2-CZ 3.57Å; F90-F198 HydrophobicContact CD2-CZ 3.57Å; F90-F198 HydrophobicContact CE2-CD1 4.43Å; F90-F198 AromaticContact CE2-CE1 3.67Å; F90-F198 HydrophobicContact CE2-CE1 3.67Å; F90-F198 HydrophobicContact CE2-CE2 4.29Å; F90-F198 AromaticContact CE2-CZ 3.55Å; F90-F198 HydrophobicContact CE2-CZ 3.55Å; F90-F198 HydrophobicContact CG-CD1 4.4Å; F90-F198 HydrophobicContact CG-CE1 4.06Å
91	T	93.3	Very high	85.6	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.8	171.8	-74.4	0	0	0	0	111.7	W89 R169 L170 H171 I196 R197 Y211	W89-T91 VanDerWaalsContact CH2-CB 3.46Å; W89-T91 HydrophobicContact CH2-CG2 4.23Å; W89-T91 VanDerWaalsContact CH2-OG1 3.31Å; W89-T91 WeakPolarHBondContact CH2-OG1 3.3Å; W89-T91 HydrophobicContact CZ2-CG2 4.07Å; W89-T91 WeakPolarHBondContact CZ2-OG1 3.43Å; W89-T91 PolarHBondContact NE1-OG1 2.66Å; T91-R169 HydrophobicContact CG2-CG 3.72Å; T91-L170 VanDerWaalsContact CA-O 3.24Å; T91-L170 WeakPolarHBondContact CA-O 3.03Å; T91-H171 PolarHBondContact OG1-ND1 2.72Å; T91-I196 CarbonylContact O-C 3.53Å; T91-I196 WeakPolarHBondContact O-CA 3.06Å; T91-R197 PolarHBondContact N-O 3.08Å; T91-R197 PolarHBondContact O-N 2.76Å; T91-Y211 HydrophobicContact CG2-CE2 4.27Å
92	V	94.8	Very high	86	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.2	174.4	59.7	0	0	0	0	109.2	F90 L99 I102 R169 L170 L186 Y194 N195 I196	F90-V92 HydrophobicContact CE1-CB 3.83Å; F90-V92 HydrophobicContact CE1-CG1 3.84Å; F90-V92 HydrophobicContact CZ-CB 3.72Å; F90-V92 HydrophobicContact CZ-CG1 4.24Å; V92-L99 HydrophobicContact CG1-CD2 3.92Å; V92-L99 HydrophobicContact CG2-CD2 3.95Å; V92-I102 HydrophobicContact CG1-CD1 3.6Å; V92-R169 WeakPolarHBondContact O-CA 3.31Å; V92-R169 WeakPolarHBondContact O-CG 3.44Å; V92-L170 HydrophobicContact CG1-CB 4.03Å; V92-L170 HydrophobicContact CG1-CD2 4.25Å; V92-L170 PolarHBondContact N-O 2.89Å; V92-L170 PolarHBondContact O-N 3.37Å; V92-L186 HydrophobicContact CG2-CD1 4.13Å; V92-L186 HydrophobicContact CG2-CD2 4.31Å; V92-Y194 HydrophobicContact CG2-CD1 4.05Å; V92-Y194 HydrophobicContact CG2-CG 4.38Å; V92-N195 CarbonylContact C-O 3.59Å; V92-N195 WeakPolarHBondContact CA-O 3.35Å; V92-I196 HydrophobicContact CB-CG2 4.34Å; V92-I196 HydrophobicContact CG2-CG2 4.08Å
93	T	95.2	Very high	86.7	Confident	1 Å²	1	32 Å²	32	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.3	173.2	-49.9	0	0	0	0	107.4	C95 R169 Y194 N195 Y260	T93-C95 PolarHBondContact O-N 2.88Å; T93-C95 PolarHBondContact O-SG 3.45Å; T93-R169 HydrophobicContact CG2-CB 4.44Å; T93-R169 PolarHBondContact OG1-NE 3.05Å; T93-Y194 WeakPolarHBondContact O-CA 3.3Å; T93-N195 PolarHBondContact N-O 3.47Å; T93-N195 PolarHBondContact O-N 2.94Å; T93-Y260 HydrophobicContact CG2-CD1 4.05Å; T93-Y260 HydrophobicContact CG2-CD2 3.26Å; T93-Y260 HydrophobicContact CG2-CE1 4.28Å; T93-Y260 HydrophobicContact CG2-CE2 3.55Å; T93-Y260 HydrophobicContact CG2-CG 3.58Å
94	P	94.8	Very high	87.5	Confident	1 Å²	1	32 Å²	32	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.6	172.4	-17.6	31.1	0	0	0	110.3	N97 L99 S168 Y194 Y259 Y260	P94-N97 WeakPolarHBondContact CB-O 3.16Å; P94-L99 HydrophobicContact CB-CB 4.28Å; P94-L99 HydrophobicContact CG-CB 3.75Å; P94-L99 HydrophobicContact CG-CD2 4.1Å; P94-S168 WeakPolarHBondContact CD-O 3.33Å; P94-Y194 HydrophobicContact CB-CD1 4.29Å; P94-Y194 HydrophobicContact CB-CE1 4.4Å; P94-Y259 WeakPolarHBondContact O-CE2 3.06Å; P94-Y260 WeakPolarHBondContact O-CD2 3.37Å
95	C	95.1	Very high	88.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-104.5	-31.8	-171	-59.2	0	0	0	0	113.5	T93 T193 N195 Y259 C262 T263	T93-C95 PolarHBondContact O-N 2.88Å; T93-C95 PolarHBondContact O-SG 3.45Å; C95-T193 WeakPolarHBondContact CB-O 3.16Å; C95-T193 VanDerWaalsContact CB-OG1 3.25Å; C95-T193 WeakPolarHBondContact CB-OG1 3.42Å; C95-T193 PolarHBondContact N-O 3.45Å; C95-N195 PolarHBondContact SG-N 3.06Å; C95-N195 VanDerWaalsContact SG-N 3.38Å; C95-Y259 PolarHBondContact O-OH 3.33Å; C95-C262 HydrophobicContact CB-CB 3.87Å; C95-C262 WeakPolarHBondContact CB-SG 2.81Å; C95-C262 WeakPolarHBondContact SG-CB 3.46Å; C95-C262 CovalentContact SG-SG 2.03Å; C95-C262 PolarHBondContact SG-SG 2.84Å; C95-T263 VanDerWaalsContact O-CA 3.31Å; C95-T263 WeakPolarHBondContact O-CA 3.39Å; C95-T263 WeakPolarHBondContact O-CB 3.49Å; C95-T263 WeakPolarHBondContact O-CG2 3.37Å; C95-T263 PolarHBondContact O-OG1 3.43Å
96	T	92.1	Very high	88.8	Confident	33 Å²	33	26.2 Å²	26.2	20%	0.202	14%	0.137	C	C	.	.	S	Bend	trans	-117.1	-37.3	179.9	41.8	0	0	0	0	114.6	T193 Y259 S266	T96-T193 HydrophobicContact CG2-CG2 4.28Å; T96-T193 WeakPolarHBondContact CG2-OG1 3.22Å; T96-T193 PolarHBondContact N-OG1 3.1Å; T96-T193 PolarHBondContact OG1-N 2.91Å; T96-T193 PolarHBondContact OG1-OG1 3.4Å; T96-Y259 PolarHBondContact N-OH 3.2Å; T96-S266 VanDerWaalsContact CG2-OG 3.27Å; T96-S266 WeakPolarHBondContact CG2-OG 3.46Å
97	N	87.3	Confident	89.1	Confident	50 Å²	50	24.7 Å²	24.7	27%	0.267	14%	0.136	S	C	.	.	S	Bend	trans	-137.4	175.5	-170	-148.5	-10.6	0	0	0	112.4	P94 D192	P94-N97 WeakPolarHBondContact CB-O 3.16Å; N97-D192 HydrophobicContact CB-CB 4.49Å; N97-D192 VanDerWaalsContact CB-CG 3.5Å; N97-D192 WeakPolarHBondContact CB-OD1 3.41Å; N97-D192 PolarHBondContact ND2-OD1 3.28Å
98	L	87.5	Confident	88.8	Confident	64 Å²	64	27.7 Å²	27.7	34%	0.335	16%	0.157	S	C	.	.			trans	-69	131.4	177.5	-63.3	161.6	0	0	0	110.4	N100 T166 R167	L98-N100 PolarHBondContact O-N 2.7Å; L98-T166 CarbonylContact C-O 3.59Å; L98-T166 WeakPolarHBondContact CA-O 3.29Å; L98-R167 HydrophobicContact CD2-CG 3.74Å; L98-R167 HydrophobicContact CG-CG 4.41Å
99	L	87.3	Confident	88	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	17%	0.173	C	C	.	.			trans	-90.4	102.7	170.4	-176.7	53.7	0	0	0	108.7	V92 P94 I102 L165 T166 L186 Y194	V92-L99 HydrophobicContact CG1-CD2 3.92Å; V92-L99 HydrophobicContact CG2-CD2 3.95Å; P94-L99 HydrophobicContact CB-CB 4.28Å; P94-L99 HydrophobicContact CG-CB 3.75Å; P94-L99 HydrophobicContact CG-CD2 4.1Å; L99-I102 HydrophobicContact CD1-CG1 4.17Å; L99-I102 HydrophobicContact CD2-CD1 3.53Å; L99-I102 HydrophobicContact CD2-CG1 3.68Å; L99-I102 HydrophobicContact CG-CD1 4.26Å; L99-I102 HydrophobicContact CG-CG1 3.92Å; L99-L165 HydrophobicContact CD2-CD1 4.23Å; L99-L165 HydrophobicContact CG-CD1 4.2Å; L99-L165 WeakPolarHBondContact O-CB 3.23Å; L99-L165 PolarHBondContact O-N 2.74Å; L99-T166 PolarHBondContact N-O 2.99Å; L99-L186 HydrophobicContact CD1-CB 4.22Å; L99-L186 HydrophobicContact CD1-CD2 4.45Å; L99-L186 HydrophobicContact CD2-CD2 4.34Å; L99-Y194 HydrophobicContact CB-CE1 4.29Å; L99-Y194 HydrophobicContact CD1-CE1 3.84Å; L99-Y194 HydrophobicContact CD2-CD1 4.49Å; L99-Y194 HydrophobicContact CD2-CE1 4.32Å; L99-Y194 HydrophobicContact CG-CE1 4.38Å
100	N	83.2	Confident	86.8	Confident	96 Å²	96	35.5 Å²	35.5	51%	0.513	20%	0.196	S	C	.	.			trans	-80.5	-37	-171.7	-73	-20.5	0	0	0	112.7	L98 L163 G164	L98-N100 PolarHBondContact O-N 2.7Å; N100-L163 CarbonylContact O-C 3.59Å; N100-L163 VanDerWaalsContact O-CA 3.29Å; N100-L163 WeakPolarHBondContact O-CA 3.44Å; N100-G164 PolarHBondContact O-N 3.28Å
101	R	90.8	Very high	85.1	Confident	85 Å²	85	43.3 Å²	43.3	32%	0.321	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139	-176.9	174	179.4	-179.1	-174.5	1.6	111.8	E103 T161 I162 L163 Y187	R101-E103 HydrophobicContact CG-CG 4.26Å; R101-E103 VanDerWaalsContact CZ-CD 3.49Å; R101-E103 IonicContact CZ-OE1 3.58Å; R101-E103 IonicContact CZ-OE2 3.71Å; R101-E103 VanDerWaalsContact NE-CD 3.34Å; R101-E103 IonicContact NE-OE1 2.69Å; R101-E103 PolarHBondContact NE-OE1 3.27Å; R101-E103 IonicContact NE-OE2 3.33Å; R101-E103 IonicContact NH2-OE1 2.71Å; R101-E103 PolarHBondContact NH2-OE1 2.98Å; R101-E103 IonicContact NH2-OE2 3.32Å; R101-E103 PolarHBondContact NH2-OE2 3.37Å; R101-T161 HydrophobicContact CG-CG2 4.32Å; R101-I162 CarbonylContact C-O 3.48Å; R101-I162 VanDerWaalsContact CA-O 3.24Å; R101-I162 WeakPolarHBondContact CA-O 3.42Å; R101-L163 HydrophobicContact CB-CD2 3.51Å; R101-L163 HydrophobicContact CG-CD2 3.45Å; R101-L163 VanDerWaalsContact CG-CD2 3.45Å; R101-Y187 HydrophobicContact CB-CD2 3.83Å; R101-Y187 HydrophobicContact CB-CG 3.98Å; R101-Y187 HydrophobicContact CG-CD2 3.51Å; R101-Y187 HydrophobicContact CG-CE2 3.89Å; R101-Y187 HydrophobicContact CG-CG 4.09Å; R101-Y187 PolarHBondContact O-N 3.31Å
102	I	93.3	Very high	83.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.5	165.9	-56.4	173.6	0	0	0	108.8	V92 L99 F104 T161 I162 L165 L170 V184 R185 L186	V92-I102 HydrophobicContact CG1-CD1 3.6Å; L99-I102 HydrophobicContact CD1-CG1 4.17Å; L99-I102 HydrophobicContact CD2-CD1 3.53Å; L99-I102 HydrophobicContact CD2-CG1 3.68Å; L99-I102 HydrophobicContact CG-CD1 4.26Å; L99-I102 HydrophobicContact CG-CG1 3.92Å; I102-F104 HydrophobicContact CB-CE2 4.33Å; I102-F104 HydrophobicContact CB-CZ 4.49Å; I102-F104 HydrophobicContact CG2-CD2 4.22Å; I102-F104 HydrophobicContact CG2-CE1 3.99Å; I102-F104 HydrophobicContact CG2-CE2 3.6Å; I102-F104 HydrophobicContact CG2-CZ 3.48Å; I102-F104 VanDerWaalsContact CG2-CZ 3.48Å; I102-T161 WeakPolarHBondContact O-CA 3.42Å; I102-I162 PolarHBondContact N-O 3.49Å; I102-I162 PolarHBondContact O-N 3.14Å; I102-L165 HydrophobicContact CB-CD1 4.23Å; I102-L165 HydrophobicContact CD1-CD1 3.17Å; I102-L165 HydrophobicContact CG1-CD1 3.43Å; I102-L165 VanDerWaalsContact CG1-CD1 3.43Å; I102-L170 HydrophobicContact CD1-CD1 4.38Å; I102-L170 HydrophobicContact CD1-CD2 4.18Å; I102-V184 HydrophobicContact CG2-CG1 3.74Å; I102-R185 WeakPolarHBondContact CA-O 3.47Å; I102-L186 HydrophobicContact CB-CD2 4.48Å; I102-L186 HydrophobicContact CD1-CD2 4.13Å; I102-L186 HydrophobicContact CG1-CD2 3.81Å; I102-L186 HydrophobicContact CG2-CD2 4.03Å
103	E	92.3	Very high	81.3	Confident	11 Å²	11	56 Å²	56	5%	0.051	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.2	168.1	-60.2	-175.5	-94.9	0	0	112.3	R101 F105 D160 T161 V184 R185 Y187	R101-E103 HydrophobicContact CG-CG 4.26Å; R101-E103 VanDerWaalsContact CZ-CD 3.49Å; R101-E103 IonicContact CZ-OE1 3.58Å; R101-E103 IonicContact CZ-OE2 3.71Å; R101-E103 VanDerWaalsContact NE-CD 3.34Å; R101-E103 IonicContact NE-OE1 2.69Å; R101-E103 PolarHBondContact NE-OE1 3.27Å; R101-E103 IonicContact NE-OE2 3.33Å; R101-E103 IonicContact NH2-OE1 2.71Å; R101-E103 PolarHBondContact NH2-OE1 2.98Å; R101-E103 IonicContact NH2-OE2 3.32Å; R101-E103 PolarHBondContact NH2-OE2 3.37Å; E103-F105 HydrophobicContact CB-CD2 4.16Å; E103-F105 HydrophobicContact CB-CE2 3.25Å; E103-F105 HydrophobicContact CB-CZ 3.52Å; E103-F105 HydrophobicContact CG-CE2 4.23Å; E103-F105 HydrophobicContact CG-CZ 4.11Å; E103-F105 WeakPolarHBondContact OE2-CZ 3.28Å; E103-D160 CarbonylContact C-O 3.57Å; E103-D160 WeakPolarHBondContact CA-O 3.36Å; E103-T161 HydrophobicContact CG-CG2 3.83Å; E103-T161 PolarHBondContact OE2-OG1 2.92Å; E103-V184 CarbonylContact O-C 3.47Å; E103-V184 WeakPolarHBondContact O-CA 3.33Å; E103-R185 HydrophobicContact CB-CB 4.34Å; E103-R185 PolarHBondContact N-O 2.83Å; E103-R185 PolarHBondContact O-N 2.74Å; E103-Y187 HydrophobicContact CG-CE2 3.95Å; E103-Y187 WeakPolarHBondContact OE1-CE2 3.34Å; E103-Y187 PolarHBondContact OE1-OH 3.37Å
104	F	90.8	Very high	79.1	Confident	1 Å²	1	63.6 Å²	63.6	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.3	178.4	-60.1	-77.7	0	0	0	109.4	F90 I102 D160 I162 L170 F172 L182 N183 V184	F90-F104 AromaticContact CD1-CE1 3.51Å; F90-F104 HydrophobicContact CD1-CE1 3.51Å; F90-F104 AromaticContact CD1-CZ 3.91Å; F90-F104 HydrophobicContact CD1-CZ 3.91Å; F90-F104 AromaticContact CE1-CE1 3.86Å; F90-F104 HydrophobicContact CE1-CE1 3.86Å; F90-F104 HydrophobicContact CE1-CZ 4.14Å; F90-F104 HydrophobicContact CG-CE1 4.32Å; I102-F104 HydrophobicContact CB-CE2 4.33Å; I102-F104 HydrophobicContact CB-CZ 4.49Å; I102-F104 HydrophobicContact CG2-CD2 4.22Å; I102-F104 HydrophobicContact CG2-CE1 3.99Å; I102-F104 HydrophobicContact CG2-CE2 3.6Å; I102-F104 HydrophobicContact CG2-CZ 3.48Å; I102-F104 VanDerWaalsContact CG2-CZ 3.48Å; F104-D160 WeakPolarHBondContact CD2-O 3.29Å; F104-D160 PolarHBondContact N-O 3.33Å; F104-I162 HydrophobicContact CE2-CD1 3.71Å; F104-I162 HydrophobicContact CE2-CG1 4.28Å; F104-L170 HydrophobicContact CZ-CD2 4.25Å; F104-F172 HydrophobicContact CB-CE2 4.39Å; F104-F172 HydrophobicContact CB-CZ 4.32Å; F104-F172 HydrophobicContact CD1-CD1 4.23Å; F104-F172 HydrophobicContact CD1-CD2 4.31Å; F104-F172 HydrophobicContact CD1-CE1 4.37Å; F104-F172 HydrophobicContact CD1-CE2 4.42Å; F104-F172 HydrophobicContact CD1-CG 4.2Å; F104-F172 HydrophobicContact CD1-CZ 4.46Å; F104-F172 AromaticContact CD2-CD2 3.78Å; F104-F172 HydrophobicContact CD2-CD2 3.78Å; F104-F172 AromaticContact CD2-CE2 3.79Å; F104-F172 HydrophobicContact CD2-CE2 3.79Å; F104-F172 HydrophobicContact CD2-CG 4.42Å; F104-F172 HydrophobicContact CD2-CZ 4.47Å; F104-F172 HydrophobicContact CE1-CB 3.98Å; F104-F172 HydrophobicContact CE1-CD1 4.18Å; F104-F172 HydrophobicContact CE1-CD2 4.19Å; F104-F172 AromaticContact CE1-CG 3.87Å; F104-F172 HydrophobicContact CE1-CG 3.87Å; F104-F172 HydrophobicContact CE2-CB 4.32Å; F104-F172 AromaticContact CE2-CD2 3.65Å; F104-F172 HydrophobicContact CE2-CD2 3.65Å; F104-F172 HydrophobicContact CE2-CE2 4.16Å; F104-F172 HydrophobicContact CE2-CG 4.11Å; F104-F172 HydrophobicContact CG-CD2 4.12Å; F104-F172 AromaticContact CG-CE2 3.93Å; F104-F172 HydrophobicContact CG-CE2 3.93Å; F104-F172 HydrophobicContact CG-CG 4.46Å; F104-F172 HydrophobicContact CG-CZ 4.16Å; F104-F172 HydrophobicContact CZ-CB 3.71Å; F104-F172 AromaticContact CZ-CD2 3.86Å; F104-F172 HydrophobicContact CZ-CD2 3.86Å; F104-F172 AromaticContact CZ-CG 3.82Å; F104-F172 HydrophobicContact CZ-CG 3.82Å; F104-L182 HydrophobicContact CB-CD1 4.12Å; F104-L182 HydrophobicContact CD1-CD1 4.08Å; F104-L182 HydrophobicContact CD1-CD2 4.42Å; F104-N183 WeakPolarHBondContact CA-O 3.41Å; F104-V184 HydrophobicContact CD1-CG1 4.25Å; F104-V184 HydrophobicContact CD1-CG2 3.93Å; F104-V184 HydrophobicContact CE1-CG1 3.93Å; F104-V184 HydrophobicContact CE1-CG2 4.01Å
105	F	87.7	Confident	77.2	Confident	76 Å²	76	72.5 Å²	72.5	33%	0.333	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.7	176.2	-51	-83.3	0	0	0	110.6	E103 N183 R185	E103-F105 HydrophobicContact CB-CD2 4.16Å; E103-F105 HydrophobicContact CB-CE2 3.25Å; E103-F105 HydrophobicContact CB-CZ 3.52Å; E103-F105 HydrophobicContact CG-CE2 4.23Å; E103-F105 HydrophobicContact CG-CZ 4.11Å; E103-F105 WeakPolarHBondContact OE2-CZ 3.28Å; F105-N183 PolarHBondContact N-O 2.85Å; F105-N183 PolarHBondContact O-N 2.95Å; F105-R185 HydrophobicContact CE2-CG 4.33Å
106	G	85	Confident	75	Confident	40 Å²	40	74.3 Å²	74.3	41%	0.412	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.2	171.8	0	0	0	0	0	111.1	Y177 T179	G106-Y177 WeakPolarHBondContact CA-OH 3.5Å; G106-Y177 PolarHBondContact N-OH 3.29Å; G106-T179 WeakPolarHBondContact CA-OG1 3.43Å
107	S	81.3	Confident	72.9	Confident	29 Å²	29	76 Å²	76	20%	0.203	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	162.1	167.3	55.6	0	0	0	0	110.7	Q79 T179 S181 N183	Q79-S107 PolarHBondContact NE2-OG 3.17Å; S107-T179 VanDerWaalsContact O-CB 3.29Å; S107-T179 WeakPolarHBondContact O-CB 2.95Å; S107-S181 VanDerWaalsContact C-OG 3.29Å; S107-S181 PolarHBondContact N-O 3.45Å; S107-S181 PolarHBondContact O-N 2.04Å; S107-S181 PolarHBondContact O-OG 2.93Å; S107-S181 PolarHBondContact OG-OG 2.79Å; S107-N183 VanDerWaalsContact CB-ND2 3.25Å; S107-N183 WeakPolarHBondContact CB-ND2 3.32Å; S107-N183 PolarHBondContact OG-ND2 3.18Å
108	S	73.2	Confident	71	Confident	88 Å²	88	82.8 Å²	82.8	62%	0.615	42%	0.422	S	S	*	.			trans	-97	102.7	163.6	52.6	0	0	0	0	108.5	Y110 D180	S108-Y110 VanDerWaalsContact C-N 3.32Å; S108-D180 VanDerWaalsContact CA-OD1 3.24Å; S108-D180 WeakPolarHBondContact CA-OD1 3.38Å
109	A	66	Low	68.8	Low	41 Å²	41	84.2 Å²	84.2	34%	0.339	43%	0.434	S	S	.	.	S	Bend	trans	-71.8	-32	175	0	0	0	0	0	111	F81 D180 S181	F81-A109 HydrophobicContact CD2-CB 4.24Å; A109-D180 PolarHBondContact N-OD1 3.33Å; A109-D180 PolarHBondContact N-OD2 3.3Å; A109-S181 PolarHBondContact N-OG 3.27Å
110	Y	60.1	Low	66.7	Low	128 Å²	128	91.1 Å²	91.1	50%	0.502	46%	0.46	S	S	.	.	S	Bend	trans	-120.1	134.9	176.6	-70.3	-86.7	0	0	0	111.8	F81 S108 K112 D180	F81-Y110 HydrophobicContact CD2-CD2 4.12Å; F81-Y110 HydrophobicContact CD2-CE2 4.25Å; F81-Y110 AromaticContact CE2-CD2 3.61Å; F81-Y110 HydrophobicContact CE2-CD2 3.61Å; F81-Y110 HydrophobicContact CE2-CE2 4.05Å; F81-Y110 HydrophobicContact CZ-CD2 4.16Å; F81-Y110 HydrophobicContact CZ-CE2 4.43Å; S108-Y110 VanDerWaalsContact C-N 3.32Å; Y110-K112 PolarHBondContact O-N 3.43Å; Y110-K112 VanDerWaalsContact O-N 3.1Å; Y110-D180 PolarHBondContact N-OD2 2.93Å
111	N	56.8	Low	64.8	Low	165 Å²	165	88.2 Å²	88.2	88%	0.882	45%	0.453	S	S	*	.	S	Bend	trans	-65.4	-11.6	178.4	-71.4	-12.7	0	0	0	113.7
112	K	56	Low	62.5	Low	168 Å²	168	86 Å²	86	73%	0.73	45%	0.447	S	S	*	.	S	Bend	trans	-127.2	139.9	175.2	-72.1	-173.2	178.5	-179	0	110.1	Y110 W114	Y110-K112 PolarHBondContact O-N 3.43Å; Y110-K112 VanDerWaalsContact O-N 3.1Å; K112-W114 PolarHBondContact O-N 3.3Å
113	P	52.3	Low	60.1	Low	99 Å²	99	93.7 Å²	93.7	64%	0.643	48%	0.483	S	S	*	.			trans	-60.4	108.7	172.8	24.1	-30.9	0	0	0	109.1
114	W	48.8	Very low	58.1	Low	160 Å²	160	94.1 Å²	94.1	61%	0.606	49%	0.486	S	S	*	.			trans	-85.8	111.8	174.3	-174.2	-65.2	0	0	0	108.5	F81 K112 E116	F81-W114 HydrophobicContact CZ-CB 4.44Å; K112-W114 PolarHBondContact O-N 3.3Å; W114-E116 PolarHBondContact O-N 3.43Å
115	E	53.2	Low	56	Low	187 Å²	187	95.3 Å²	95.3	87%	0.874	49%	0.494	S	S	*	.			trans	-82.6	104.4	168.1	-70.3	-170.4	169	0	0	108.8
116	E	50.9	Low	53.9	Low	38 Å²	38	98.9 Å²	98.9	18%	0.178	51%	0.51	C	S	.	.			trans	-62.1	139.8	-177	-79.2	174.9	142.6	0	0	113.3	Q58 F81 R86 W114 K118	Q58-E116 WeakPolarHBondContact CB-OE1 3.41Å; Q58-E116 PolarHBondContact OE1-OE2 2.93Å; F81-E116 HydrophobicContact CE1-CG 4.37Å; R86-E116 IonicContact CZ-OE2 3.54Å; R86-E116 IonicContact NH1-OE2 2.98Å; R86-E116 PolarHBondContact NH1-OE2 3.39Å; R86-E116 IonicContact NH2-OE2 2.8Å; R86-E116 PolarHBondContact NH2-OE2 2.81Å; W114-E116 PolarHBondContact O-N 3.43Å; E116-K118 PolarHBondContact O-N 3.43Å
117	S	47.2	Very low	51.8	Low	69 Å²	69	100.2 Å²	100.2	48%	0.483	51%	0.513	S	S	.	.			trans	-67.1	119.7	160.9	69.4	0	0	0	0	109.3	V119	S117-V119 PolarHBondContact O-N 2.92Å
118	K	46.9	Very low	50	Low	193 Å²	193	104.9 Å²	104.9	84%	0.839	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	10.3	177.4	-63.7	179.9	179.3	176.5	0	115.1	E116	E116-K118 PolarHBondContact O-N 3.43Å
119	V	41.4	Very low	48.7	Very low	94 Å²	94	103.1 Å²	103.1	57%	0.57	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-22	-162.9	-177.3	0	0	0	0	113.5	S117	S117-V119 PolarHBondContact O-N 2.92Å
120	Y	43.5	Very low	47.9	Very low	145 Å²	145	104.8 Å²	104.8	57%	0.569	52%	0.517	S	S	*	.	S	Bend	trans	-117.7	8.8	-166.1	-57	-71.2	0	0	0	115.7	L59	L59-Y120 WeakPolarHBondContact CD1-O 3.33Å
121	G	42.8	Very low	47.2	Very low	35 Å²	35	101.3 Å²	101.3	36%	0.361	51%	0.511	S	S	.	.	S	Bend	trans	-81.1	152.7	175	0	0	0	0	0	112.4	E123	G121-E123 PolarHBondContact O-N 2.95Å
122	L	42.8	Very low	46.6	Very low	38 Å²	38	97 Å²	97	20%	0.199	49%	0.491	C	S	.	.			trans	-58.9	106.9	161.6	-92.6	154.8	0	0	0	108.5	F36 L42 I63 L124	F36-L122 HydrophobicContact CD1-CD2 4.44Å; L42-L122 HydrophobicContact CD1-CD1 3.54Å; L42-L122 HydrophobicContact CD1-CG 4.27Å; I63-L122 HydrophobicContact CD1-CD1 3.98Å; I63-L122 HydrophobicContact CG1-CD1 4.45Å; L122-L124 VanDerWaalsContact C-N 3.3Å; L122-L124 HydrophobicContact CB-CD2 4.28Å; L122-L124 HydrophobicContact CB-CG 4.37Å; L122-L124 HydrophobicContact CD2-CD2 4.39Å; L122-L124 PolarHBondContact O-N 3.04Å
123	E	43.3	Very low	46.1	Very low	162 Å²	162	96.7 Å²	96.7	76%	0.757	50%	0.497	S	S	*	.			trans	-71.7	88.5	172.6	-166.1	174.1	-165.4	0	0	108.6	G121	G121-E123 PolarHBondContact O-N 2.95Å
124	L	49.3	Very low	45.8	Very low	21 Å²	21	93.9 Å²	93.9	11%	0.11	47%	0.474	C	S	.	.			trans	-90.1	156.8	167.4	-31.3	161.4	0	0	0	109.3	A62 L122 D209 M344	A62-L124 HydrophobicContact CB-CD1 4.06Å; L122-L124 VanDerWaalsContact C-N 3.3Å; L122-L124 HydrophobicContact CB-CD2 4.28Å; L122-L124 HydrophobicContact CB-CG 4.37Å; L122-L124 HydrophobicContact CD2-CD2 4.39Å; L122-L124 PolarHBondContact O-N 3.04Å; L124-D209 WeakPolarHBondContact CB-OD2 3.43Å; L124-M344 HydrophobicContact CD1-CE 3.5Å; L124-M344 VanDerWaalsContact CD1-CE 3.5Å; L124-M344 HydrophobicContact CD1-SD 3.77Å; L124-M344 HydrophobicContact CD2-SD 4.07Å
125	S	47	Very low	45.8	Very low	25 Å²	25	89 Å²	89	18%	0.175	46%	0.464	C	S	.	.			trans	-41.1	137	-169.7	45.7	0	0	0	0	114.1	S127 H206 D209	S125-S127 PolarHBondContact O-N 2.83Å; S125-H206 PolarHBondContact OG-CE1 3.09Å; S125-D209 PolarHBondContact OG-OD2 3.15Å
126	K	43.3	Very low	45.9	Very low	152 Å²	152	88.7 Å²	88.7	66%	0.661	46%	0.462	S	S	*	.			trans	-48.5	134.7	178	-73.5	179	179.8	170.5	0	110	D128	K126-D128 PolarHBondContact O-N 2.9Å
127	S	42.4	Very low	46.4	Very low	68 Å²	68	92.6 Å²	92.6	48%	0.476	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-21.6	-174.5	45.4	0	0	0	0	115.3	S125	S125-S127 PolarHBondContact O-N 2.83Å
128	D	42.1	Very low	47.9	Very low	127 Å²	127	91.8 Å²	91.8	68%	0.679	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.2	-160.3	-55	-18.5	0	0	0	113	K126 Y130	K126-D128 PolarHBondContact O-N 2.9Å; D128-Y130 PolarHBondContact O-N 3.25Å
129	I	46.6	Very low	49.6	Very low	50 Å²	50	83.2 Å²	83.2	26%	0.256	43%	0.432	S	S	.	.	S	Bend	trans	-68.2	-42.7	-170.5	-48.9	-178.9	0	0	0	110
130	Y	49.8	Very low	51.6	Low	76 Å²	76	83.5 Å²	83.5	30%	0.298	42%	0.422	S	S	.	.			trans	-159.3	52.7	178.9	-60.9	-70.7	0	0	0	113.8	D128 V132 A207	D128-Y130 PolarHBondContact O-N 3.25Å; Y130-V132 PolarHBondContact O-N 3.04Å; Y130-V132 VanDerWaalsContact O-N 3.12Å; Y130-A207 HydrophobicContact CD2-CB 3.64Å; Y130-A207 HydrophobicContact CG-CB 3.84Å
131	S	44.2	Very low	53.6	Low	56 Å²	56	76.9 Å²	76.9	39%	0.392	40%	0.397	S	S	.	.			trans	-71.9	105.1	165.4	57.1	0	0	0	0	108.8	N133	S131-N133 PolarHBondContact O-N 3.36Å
132	V	45.7	Very low	55.7	Low	74 Å²	74	76.6 Å²	76.6	45%	0.448	39%	0.386	S	S	.	.			trans	-52.4	129.5	164.8	177.7	0	0	0	0	106.6	Y130 W134	Y130-V132 PolarHBondContact O-N 3.04Å; Y130-V132 VanDerWaalsContact O-N 3.12Å; V132-W134 PolarHBondContact O-N 3.36Å
133	N	43.7	Very low	57.7	Low	162 Å²	162	77.6 Å²	77.6	87%	0.866	40%	0.395	S	S	*	.			trans	-58.4	89.7	172.3	-90.9	-12.9	0	0	0	108.4	S131	S131-N133 PolarHBondContact O-N 3.36Å
134	W	47	Very low	59.9	Low	40 Å²	40	71 Å²	71	15%	0.152	36%	0.364	C	S	.	.			trans	-71.9	126.9	170.7	-90	48.5	0	0	0	106.8	V132 Q136 R140 H171 P204 K205	V132-W134 PolarHBondContact O-N 3.36Å; W134-Q136 PolarHBondContact O-N 2.95Å; W134-R140 HydrophobicContact CZ3-CB 4.5Å; W134-R140 VanDerWaalsContact CZ3-CD 3.43Å; W134-H171 HydrophobicContact CZ3-CB 4.29Å; W134-P204 HydrophobicContact CD2-CG 3.91Å; W134-P204 HydrophobicContact CE3-CG 3.66Å; W134-P204 HydrophobicContact CH2-CB 4.37Å; W134-P204 HydrophobicContact CH2-CG 3.15Å; W134-P204 HydrophobicContact CZ2-CG 3.42Å; W134-P204 VanDerWaalsContact CZ2-CG 3.42Å; W134-P204 HydrophobicContact CZ3-CG 3.26Å; W134-K205 HydrophobicContact CZ2-CB 4.22Å; W134-K205 HydrophobicContact CZ2-CD 3.46Å; W134-K205 VanDerWaalsContact CZ2-CD 3.46Å; W134-K205 HydrophobicContact CZ2-CG 3.52Å
135	S	49.6	Very low	61.6	Low	57 Å²	57	70.6 Å²	70.6	40%	0.399	36%	0.362	S	S	.	.			trans	-47.5	139.8	174.5	50	0	0	0	0	110.3	Q137	S135-Q137 PolarHBondContact O-N 3Å
136	Q	54.2	Low	63.2	Low	180 Å²	180	72.4 Å²	72.4	84%	0.841	38%	0.375	S	S	*	.	S	Bend	trans	-65.2	17.5	179	-64	179.6	-20.4	0	0	114.2	W134 K138	W134-Q136 PolarHBondContact O-N 2.95Å; Q136-K138 PolarHBondContact O-N 3.46Å
137	Q	62	Low	65.1	Low	120 Å²	120	70.1 Å²	70.1	56%	0.561	37%	0.367	S	S	*	.			trans	-66.9	125.6	177.9	-69.5	179.3	-11.1	0	0	109.6	S135 I139 T173	S135-Q137 PolarHBondContact O-N 3Å; Q137-I139 PolarHBondContact O-N 3.5Å; Q137-T173 PolarHBondContact O-OG1 3.29Å
138	K	77.7	Confident	66.5	Low	53 Å²	53	73 Å²	73	23%	0.23	38%	0.382	C	S	.	.	S	Bend	trans	-56.9	-33.7	-179.2	-175.8	174.3	169.3	-179.8	0	113.1	Q136 Q158 G159 D160 F172 T173	Q136-K138 PolarHBondContact O-N 3.46Å; K138-Q158 PolarHBondContact NZ-O 3.06Å; K138-G159 WeakPolarHBondContact CE-O 3.12Å; K138-D160 WeakPolarHBondContact CE-OD1 3.46Å; K138-D160 IonicContact NZ-OD1 3.09Å; K138-D160 PolarHBondContact NZ-OD1 3.36Å; K138-F172 HydrophobicContact CD-CE2 4.2Å; K138-F172 HydrophobicContact CG-CD2 4.24Å; K138-F172 HydrophobicContact CG-CE2 3.76Å; K138-F172 HydrophobicContact CG-CZ 4.33Å; K138-F172 CarbonylContact O-C 3.59Å; K138-F172 WeakPolarHBondContact O-CA 3.46Å; K138-T173 WeakPolarHBondContact CA-O 3.3Å; K138-T173 PolarHBondContact O-N 3.48Å
139	I	83.4	Confident	68.1	Low	13 Å²	13	72.7 Å²	72.7	7%	0.067	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.1	-175.2	-68.3	159	0	0	0	109.7	Q137 F153 L155 G159 I162 L170 H171 F172	Q137-I139 PolarHBondContact O-N 3.5Å; I139-F153 HydrophobicContact CG2-CE2 4.27Å; I139-L155 HydrophobicContact CD1-CD1 4.28Å; I139-L155 HydrophobicContact CD1-CD2 3.32Å; I139-L155 HydrophobicContact CD1-CG 4.44Å; I139-G159 WeakPolarHBondContact CD1-O 3.23Å; I139-I162 HydrophobicContact CB-CD1 4.48Å; I139-I162 HydrophobicContact CD1-CD1 3.37Å; I139-I162 HydrophobicContact CD1-CG1 3.7Å; I139-I162 HydrophobicContact CG1-CD1 3.76Å; I139-I162 HydrophobicContact CG2-CD1 3.88Å; I139-L170 HydrophobicContact CG2-CD1 3.96Å; I139-H171 WeakPolarHBondContact CA-O 3.17Å; I139-F172 HydrophobicContact CG1-CD2 3.96Å
140	R	83.2	Confident	69.6	Low	99 Å²	99	75.3 Å²	75.3	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.8	172.1	-173.6	-177	179.6	131.1	1.3	110.4	W134 H171	W134-R140 HydrophobicContact CZ3-CB 4.5Å; W134-R140 VanDerWaalsContact CZ3-CD 3.43Å; R140-H171 HydrophobicContact CB-CB 4.47Å; R140-H171 PolarHBondContact N-O 2.9Å; R140-H171 PolarHBondContact O-N 3.27Å
141	I	86	Confident	70.8	Confident	6 Å²	6	72.4 Å²	72.4	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.9	176.3	-57	176.2	0	0	0	108.5	L150 P151 F153 L165 L170	I141-L150 WeakPolarHBondContact O-CD2 3.12Å; I141-P151 HydrophobicContact CB-CG 4.43Å; I141-P151 HydrophobicContact CD1-CG 4.32Å; I141-P151 HydrophobicContact CG2-CG 3.53Å; I141-F153 HydrophobicContact CD1-CB 3.89Å; I141-F153 HydrophobicContact CD1-CD1 3.26Å; I141-F153 HydrophobicContact CD1-CD2 4.17Å; I141-F153 HydrophobicContact CD1-CE1 3.71Å; I141-F153 HydrophobicContact CD1-CG 3.51Å; I141-F153 HydrophobicContact CD1-CZ 4.34Å; I141-F153 HydrophobicContact CG1-CD1 4.37Å; I141-F153 HydrophobicContact CG1-CE1 4.4Å; I141-L165 HydrophobicContact CD1-CD2 3.4Å; I141-L165 HydrophobicContact CG1-CD2 4.12Å; I141-L170 HydrophobicContact CD1-CD1 4.48Å; I141-L170 HydrophobicContact CG1-CD1 4.06Å; I141-L170 HydrophobicContact CG1-CG 4.48Å
142	E	86.8	Confident	72.5	Confident	29 Å²	29	77.3 Å²	77.3	14%	0.136	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-80.3	139.6	170.4	-59.2	-167.1	144	0	0	109.5	F144 S168 R169 H171	E142-F144 PolarHBondContact O-N 2.84Å; E142-S168 WeakPolarHBondContact O-CB 3.35Å; E142-S168 PolarHBondContact O-OG 3.37Å; E142-R169 HydrophobicContact CB-CB 4.37Å; E142-R169 HydrophobicContact CG-CB 4.41Å; E142-R169 PolarHBondContact N-O 2.7Å; E142-R169 WeakPolarHBondContact OE2-CD 3.4Å; E142-R169 IonicContact OE2-CZ 2.66Å; E142-R169 IonicContact OE2-NE 2.68Å; E142-R169 IonicContact OE2-NH1 3.62Å; E142-R169 PolarHBondContact OE2-NH1 2.95Å; E142-H171 VanDerWaalsContact CD-NE2 3.25Å; E142-H171 VanDerWaalsContact CG-NE2 3.32Å; E142-H171 WeakPolarHBondContact CG-NE2 3.46Å; E142-H171 IonicContact OE1-CE1 3.38Å; E142-H171 IonicContact OE1-NE2 3.56Å; E142-H171 PolarHBondContact OE1-NE2 3.03Å; E142-H171 IonicContact OE2-NE2 3.38Å
143	P	84.9	Confident	74.3	Confident	60 Å²	60	77.3 Å²	77.3	39%	0.39	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-54	140.3	169.6	-23	33	0	0	0	110.4	E147 L150	P143-E147 WeakPolarHBondContact CB-O 3.09Å; P143-L150 HydrophobicContact CG-CD2 4.18Å
144	F	88.1	Confident	76.1	Confident	22 Å²	22	73.3 Å²	73.3	10%	0.096	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-60.8	142	175.8	-177.9	-105.6	0	0	0	109.4	E142 S146 E147 R167 S168 Y259	E142-F144 PolarHBondContact O-N 2.84Å; F144-S146 PolarHBondContact O-N 2.88Å; F144-S146 VanDerWaalsContact O-N 3.12Å; F144-E147 HydrophobicContact CB-CB 4.26Å; F144-E147 HydrophobicContact CB-CG 4.26Å; F144-E147 HydrophobicContact CD1-CG 4.17Å; F144-E147 WeakPolarHBondContact CD1-OE1 3.36Å; F144-E147 PolarHBondContact O-N 3.46Å; F144-R167 HydrophobicContact CD2-CB 3.7Å; F144-R167 HydrophobicContact CE2-CB 3.53Å; F144-R167 HydrophobicContact CE2-CG 4.46Å; F144-S168 PolarHBondContact N-OG 3.46Å; F144-Y259 HydrophobicContact CE2-CD1 4.26Å; F144-Y259 AromaticContact CE2-CD2 3.64Å; F144-Y259 HydrophobicContact CE2-CD2 3.64Å; F144-Y259 HydrophobicContact CE2-CE2 4.22Å; F144-Y259 AromaticContact CE2-CG 3.67Å; F144-Y259 HydrophobicContact CE2-CG 3.67Å; F144-Y259 HydrophobicContact CZ-CD1 4.05Å; F144-Y259 HydrophobicContact CZ-CD2 4.16Å; F144-Y259 AromaticContact CZ-CG 3.69Å; F144-Y259 HydrophobicContact CZ-CG 3.69Å
145	P	85.7	Confident	77.8	Confident	13 Å²	13	75.7 Å²	75.7	8%	0.084	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	123.5	179.7	-25.6	35.3	0	0	0	110.9	Y260	P145-Y260 HydrophobicContact CG-CD1 4.37Å; P145-Y260 HydrophobicContact CG-CE1 3.76Å
146	S	81.4	Confident	79.4	Confident	64 Å²	64	77.2 Å²	77.2	45%	0.448	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-1.2	-173.3	-27.8	0	0	0	0	116.5	F144 P351 V352	F144-S146 PolarHBondContact O-N 2.88Å; F144-S146 VanDerWaalsContact O-N 3.12Å; S146-P351 WeakPolarHBondContact OG-CA 3.47Å; S146-V352 WeakPolarHBondContact OG-CG1 3.12Å; S146-V352 PolarHBondContact OG-N 3.28Å
147	E	81.7	Confident	80.4	Confident	103 Å²	103	73.4 Å²	73.4	48%	0.481	39%	0.385	S	S	.	.			trans	-107.3	137.1	172.1	-65.8	177.5	-159.9	0	0	110.3	P143 F144	P143-E147 WeakPolarHBondContact CB-O 3.09Å; F144-E147 HydrophobicContact CB-CB 4.26Å; F144-E147 HydrophobicContact CB-CG 4.26Å; F144-E147 HydrophobicContact CD1-CG 4.17Å; F144-E147 WeakPolarHBondContact CD1-OE1 3.36Å; F144-E147 PolarHBondContact O-N 3.46Å
148	T	73.3	Confident	80.9	Confident	129 Å²	129	76.5 Å²	76.5	79%	0.791	40%	0.399	S	S	*	.			trans	-88.6	-28	175.7	53.6	0	0	0	0	112.3
149	N	75.2	Confident	80.4	Confident	121 Å²	121	74.3 Å²	74.3	65%	0.647	39%	0.392	S	S	*	.	S	Bend	trans	-88.3	146.5	-175.1	-62.7	-13.1	0	0	0	109.9
150	L	77.5	Confident	80.2	Confident	105 Å²	105	76.2 Å²	76.2	55%	0.55	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-72.9	143.9	171.9	-71	155.9	0	0	0	109	I141 P143	I141-L150 WeakPolarHBondContact O-CD2 3.12Å; P143-L150 HydrophobicContact CG-CD2 4.18Å
151	P	76.5	Confident	80.4	Confident	15 Å²	15	71.6 Å²	71.6	10%	0.097	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.7	146.6	173.6	28.4	-34.4	0	0	0	110.1	I141 F153 T166	I141-P151 HydrophobicContact CB-CG 4.43Å; I141-P151 HydrophobicContact CD1-CG 4.32Å; I141-P151 HydrophobicContact CG2-CG 3.53Å; P151-F153 WeakPolarHBondContact O-CD1 3.3Å; P151-F153 PolarHBondContact O-N 3.47Å; P151-T166 HydrophobicContact CB-CG2 4.32Å
152	N	78.9	Confident	80.5	Confident	158 Å²	158	71.3 Å²	71.3	85%	0.845	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-74.3	119.1	172.5	-72.3	-15.5	0	0	0	109.1
153	F	83	Confident	80.4	Confident	74 Å²	74	72.4 Å²	72.4	33%	0.325	39%	0.39	S	S	.	.			trans	-126.8	152	177	66.9	-83.1	0	0	0	110.5	I139 I141 P151 L155 I162 L163 L165	I139-F153 HydrophobicContact CG2-CE2 4.27Å; I141-F153 HydrophobicContact CD1-CB 3.89Å; I141-F153 HydrophobicContact CD1-CD1 3.26Å; I141-F153 HydrophobicContact CD1-CD2 4.17Å; I141-F153 HydrophobicContact CD1-CE1 3.71Å; I141-F153 HydrophobicContact CD1-CG 3.51Å; I141-F153 HydrophobicContact CD1-CZ 4.34Å; I141-F153 HydrophobicContact CG1-CD1 4.37Å; I141-F153 HydrophobicContact CG1-CE1 4.4Å; P151-F153 WeakPolarHBondContact O-CD1 3.3Å; P151-F153 PolarHBondContact O-N 3.47Å; F153-L155 HydrophobicContact CD2-CD2 3.82Å; F153-L155 HydrophobicContact CD2-CG 4Å; F153-L155 HydrophobicContact CE2-CD1 4.01Å; F153-L155 HydrophobicContact CE2-CD2 3.74Å; F153-L155 HydrophobicContact CE2-CG 3.74Å; F153-I162 HydrophobicContact CB-CG2 4.31Å; F153-I162 HydrophobicContact CD2-CG2 3.99Å; F153-L163 WeakPolarHBondContact CA-O 3.46Å; F153-L163 WeakPolarHBondContact CB-O 3.4Å; F153-L165 HydrophobicContact CB-CD2 4.42Å
154	T	83.1	Confident	80.1	Confident	78 Å²	78	70.9 Å²	70.9	48%	0.479	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.8	176.4	59.8	0	0	0	0	110.1	L163	T154-L163 PolarHBondContact N-O 2.03Å; T154-L163 PolarHBondContact O-N 2.86Å; T154-L163 WeakPolarHBondContact OG1-CB 3.06Å
155	L	82.5	Confident	79.5	Confident	90 Å²	90	69.9 Å²	69.9	47%	0.471	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.9	174.8	-62.3	-179.8	0	0	0	110.1	I139 F153 I162	I139-L155 HydrophobicContact CD1-CD1 4.28Å; I139-L155 HydrophobicContact CD1-CD2 3.32Å; I139-L155 HydrophobicContact CD1-CG 4.44Å; F153-L155 HydrophobicContact CD2-CD2 3.82Å; F153-L155 HydrophobicContact CD2-CG 4Å; F153-L155 HydrophobicContact CE2-CD1 4.01Å; F153-L155 HydrophobicContact CE2-CD2 3.74Å; F153-L155 HydrophobicContact CE2-CG 3.74Å; L155-I162 HydrophobicContact CD2-CB 4.29Å; L155-I162 HydrophobicContact CD2-CD1 4.44Å; L155-I162 HydrophobicContact CD2-CG1 3.81Å; L155-I162 HydrophobicContact CD2-CG2 3.93Å
156	M	82.8	Confident	79.4	Confident	89 Å²	89	71.7 Å²	71.7	44%	0.438	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	167.4	171	-69.4	-167	-126	0	0	110.4	Q158 G159 D160 T161 L163	M156-Q158 PolarHBondContact O-N 2.54Å; M156-G159 WeakPolarHBondContact O-CA 3.47Å; M156-G159 PolarHBondContact O-N 2.98Å; M156-D160 PolarHBondContact O-N 3.46Å; M156-T161 HydrophobicContact CB-CG2 4.43Å; M156-T161 PolarHBondContact N-O 3.28Å; M156-T161 PolarHBondContact O-N 3.1Å; M156-L163 HydrophobicContact CE-CD1 3.08Å; M156-L163 HydrophobicContact CE-CG 3.81Å
157	N	75.8	Confident	79.8	Confident	101 Å²	101	73.5 Å²	73.5	54%	0.54	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	51.6	52.8	174.1	-58	-28.8	0	0	0	112.6	G159 D160 T161	N157-G159 PolarHBondContact O-N 2.95Å; N157-G159 VanDerWaalsContact O-N 3.1Å; N157-D160 HydrophobicContact CB-CB 4.4Å; N157-D160 WeakPolarHBondContact O-CB 3.17Å; N157-D160 PolarHBondContact O-N 2.86Å; N157-T161 PolarHBondContact ND2-OG1 2.97Å
158	Q	70.9	Confident	80.2	Confident	185 Å²	185	68.7 Å²	68.7	86%	0.864	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	56.8	28.8	-178.4	-54.6	178.8	-3.6	0	0	114	K138 M156	K138-Q158 PolarHBondContact NZ-O 3.06Å; M156-Q158 PolarHBondContact O-N 2.54Å
159	G	67.5	Low	81.1	Confident	7 Å²	7	62.7 Å²	62.7	7%	0.072	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	80.2	18.7	-179	0	0	0	0	0	114.1	K138 I139 M156 N157	K138-G159 WeakPolarHBondContact CE-O 3.12Å; I139-G159 WeakPolarHBondContact CD1-O 3.23Å; M156-G159 WeakPolarHBondContact O-CA 3.47Å; M156-G159 PolarHBondContact O-N 2.98Å; N157-G159 PolarHBondContact O-N 2.95Å; N157-G159 VanDerWaalsContact O-N 3.1Å
160	D	80.5	Confident	81.9	Confident	53 Å²	53	57 Å²	57	28%	0.283	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-20.2	170.6	-69.2	-22.7	0	0	0	112.2	E103 F104 K138 M156 N157	E103-D160 CarbonylContact C-O 3.57Å; E103-D160 WeakPolarHBondContact CA-O 3.36Å; F104-D160 WeakPolarHBondContact CD2-O 3.29Å; F104-D160 PolarHBondContact N-O 3.33Å; K138-D160 WeakPolarHBondContact CE-OD1 3.46Å; K138-D160 IonicContact NZ-OD1 3.09Å; K138-D160 PolarHBondContact NZ-OD1 3.36Å; M156-D160 PolarHBondContact O-N 3.46Å; N157-D160 HydrophobicContact CB-CB 4.4Å; N157-D160 WeakPolarHBondContact O-CB 3.17Å; N157-D160 PolarHBondContact O-N 2.86Å
161	T	86.4	Confident	82.5	Confident	2 Å²	2	52 Å²	52	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.9	174	-54.4	0	0	0	0	109.6	R101 I102 E103 M156 N157 L163	R101-T161 HydrophobicContact CG-CG2 4.32Å; I102-T161 WeakPolarHBondContact O-CA 3.42Å; E103-T161 HydrophobicContact CG-CG2 3.83Å; E103-T161 PolarHBondContact OE2-OG1 2.92Å; M156-T161 HydrophobicContact CB-CG2 4.43Å; M156-T161 PolarHBondContact N-O 3.28Å; M156-T161 PolarHBondContact O-N 3.1Å; N157-T161 PolarHBondContact ND2-OG1 2.97Å; T161-L163 HydrophobicContact CG2-CD2 4.34Å
162	I	87.2	Confident	83	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.4	179.2	-42.3	174.1	0	0	0	109.1	R101 I102 F104 I139 F153 L155 L165 L170	R101-I162 CarbonylContact C-O 3.48Å; R101-I162 VanDerWaalsContact CA-O 3.24Å; R101-I162 WeakPolarHBondContact CA-O 3.42Å; I102-I162 PolarHBondContact N-O 3.49Å; I102-I162 PolarHBondContact O-N 3.14Å; F104-I162 HydrophobicContact CE2-CD1 3.71Å; F104-I162 HydrophobicContact CE2-CG1 4.28Å; I139-I162 HydrophobicContact CB-CD1 4.48Å; I139-I162 HydrophobicContact CD1-CD1 3.37Å; I139-I162 HydrophobicContact CD1-CG1 3.7Å; I139-I162 HydrophobicContact CG1-CD1 3.76Å; I139-I162 HydrophobicContact CG2-CD1 3.88Å; F153-I162 HydrophobicContact CB-CG2 4.31Å; F153-I162 HydrophobicContact CD2-CG2 3.99Å; L155-I162 HydrophobicContact CD2-CB 4.29Å; L155-I162 HydrophobicContact CD2-CD1 4.44Å; L155-I162 HydrophobicContact CD2-CG1 3.81Å; L155-I162 HydrophobicContact CD2-CG2 3.93Å; I162-L165 HydrophobicContact CB-CD1 4.29Å; I162-L165 HydrophobicContact CB-CD2 4.33Å; I162-L165 HydrophobicContact CB-CG 4.45Å; I162-L165 HydrophobicContact CG2-CD1 4.23Å; I162-L165 HydrophobicContact CG2-CD2 3.42Å; I162-L165 VanDerWaalsContact CG2-CD2 3.42Å; I162-L165 HydrophobicContact CG2-CG 3.88Å; I162-L170 HydrophobicContact CD1-CD1 3.47Å; I162-L170 VanDerWaalsContact CD1-CD1 3.47Å; I162-L170 HydrophobicContact CD1-CD2 4.43Å
163	L	86.1	Confident	83.4	Confident	51 Å²	51	45.2 Å²	45.2	27%	0.267	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	154.7	172.3	-48.3	-178.3	0	0	0	111.8	N100 R101 F153 T154 M156 T161	N100-L163 CarbonylContact O-C 3.59Å; N100-L163 VanDerWaalsContact O-CA 3.29Å; N100-L163 WeakPolarHBondContact O-CA 3.44Å; R101-L163 HydrophobicContact CB-CD2 3.51Å; R101-L163 HydrophobicContact CG-CD2 3.45Å; R101-L163 VanDerWaalsContact CG-CD2 3.45Å; F153-L163 WeakPolarHBondContact CA-O 3.46Å; F153-L163 WeakPolarHBondContact CB-O 3.4Å; T154-L163 PolarHBondContact N-O 2.03Å; T154-L163 PolarHBondContact O-N 2.86Å; T154-L163 WeakPolarHBondContact OG1-CB 3.06Å; M156-L163 HydrophobicContact CE-CD1 3.08Å; M156-L163 HydrophobicContact CE-CG 3.81Å; T161-L163 HydrophobicContact CG2-CD2 4.34Å
164	G	79.1	Confident	83.3	Confident	29 Å²	29	44.8 Å²	44.8	30%	0.299	24%	0.236	S	C	.	.			trans	78.6	32	170.6	0	0	0	0	0	113.9	N100 T166	N100-G164 PolarHBondContact O-N 3.28Å; G164-T166 PolarHBondContact O-N 3.35Å
165	L	73.6	Confident	83.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.235	C	C	.	.			trans	-72.7	-13.5	-176.6	-62.1	168.4	0	0	0	113.7	L99 I102 I141 F153 I162 R167 S168 L170	L99-L165 HydrophobicContact CD2-CD1 4.23Å; L99-L165 HydrophobicContact CG-CD1 4.2Å; L99-L165 WeakPolarHBondContact O-CB 3.23Å; L99-L165 PolarHBondContact O-N 2.74Å; I102-L165 HydrophobicContact CB-CD1 4.23Å; I102-L165 HydrophobicContact CD1-CD1 3.17Å; I102-L165 HydrophobicContact CG1-CD1 3.43Å; I102-L165 VanDerWaalsContact CG1-CD1 3.43Å; I141-L165 HydrophobicContact CD1-CD2 3.4Å; I141-L165 HydrophobicContact CG1-CD2 4.12Å; F153-L165 HydrophobicContact CB-CD2 4.42Å; I162-L165 HydrophobicContact CB-CD1 4.29Å; I162-L165 HydrophobicContact CB-CD2 4.33Å; I162-L165 HydrophobicContact CB-CG 4.45Å; I162-L165 HydrophobicContact CG2-CD1 4.23Å; I162-L165 HydrophobicContact CG2-CD2 3.42Å; I162-L165 VanDerWaalsContact CG2-CD2 3.42Å; I162-L165 HydrophobicContact CG2-CG 3.88Å; L165-R167 PolarHBondContact O-N 2.79Å; L165-S168 PolarHBondContact O-N 2.8Å; L165-L170 HydrophobicContact CD1-CD1 3.87Å; L165-L170 HydrophobicContact CD2-CD1 3.27Å; L165-L170 HydrophobicContact CG-CD1 4.2Å
166	T	84.8	Confident	82.8	Confident	51 Å²	51	47.8 Å²	47.8	31%	0.313	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-129.6	-178.7	69.7	0	0	0	0	111.4	L98 L99 P151 G164	L98-T166 CarbonylContact C-O 3.59Å; L98-T166 WeakPolarHBondContact CA-O 3.29Å; L99-T166 PolarHBondContact N-O 2.99Å; P151-T166 HydrophobicContact CB-CG2 4.32Å; G164-T166 PolarHBondContact O-N 3.35Å
167	R	89.2	Confident	82.5	Confident	102 Å²	102	44.7 Å²	44.7	39%	0.385	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	0.7	179.3	-71.7	172.7	-175.3	151.3	-0.5	113.1	L98 F144 L165 Y259 Y260	L98-R167 HydrophobicContact CD2-CG 3.74Å; L98-R167 HydrophobicContact CG-CG 4.41Å; F144-R167 HydrophobicContact CD2-CB 3.7Å; F144-R167 HydrophobicContact CE2-CB 3.53Å; F144-R167 HydrophobicContact CE2-CG 4.46Å; L165-R167 PolarHBondContact O-N 2.79Å; R167-Y259 HydrophobicContact CB-CE2 4.44Å; R167-Y260 WeakPolarHBondContact O-CE2 2.98Å
168	S	90.5	Very high	82.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	24%	0.238	C	C	.	.	S	Bend	trans	-73	145.4	-175.6	-80.9	0	0	0	0	112.8	P94 E142 F144 L165 L170	P94-S168 WeakPolarHBondContact CD-O 3.33Å; E142-S168 WeakPolarHBondContact O-CB 3.35Å; E142-S168 PolarHBondContact O-OG 3.37Å; F144-S168 PolarHBondContact N-OG 3.46Å; L165-S168 PolarHBondContact O-N 2.8Å; S168-L170 PolarHBondContact O-N 2Å
169	R	92.1	Very high	83.1	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.011	21%	0.209	C	C	.	.			trans	-63.3	133.4	168	-177.6	-179.5	-65.7	157	-11.6	110.4	T91 V92 T93 E142 Y211 Y260 S347	T91-R169 HydrophobicContact CG2-CG 3.72Å; V92-R169 WeakPolarHBondContact O-CA 3.31Å; V92-R169 WeakPolarHBondContact O-CG 3.44Å; T93-R169 HydrophobicContact CG2-CB 4.44Å; T93-R169 PolarHBondContact OG1-NE 3.05Å; E142-R169 HydrophobicContact CB-CB 4.37Å; E142-R169 HydrophobicContact CG-CB 4.41Å; E142-R169 PolarHBondContact N-O 2.7Å; E142-R169 WeakPolarHBondContact OE2-CD 3.4Å; E142-R169 IonicContact OE2-CZ 2.66Å; E142-R169 IonicContact OE2-NE 2.68Å; E142-R169 IonicContact OE2-NH1 3.62Å; E142-R169 PolarHBondContact OE2-NH1 2.95Å; R169-Y211 VanDerWaalsContact CZ-CE1 3.5Å; R169-Y211 VanDerWaalsContact NH1-CD1 3.3Å; R169-Y260 PolarHBondContact N-OH 3.42Å; R169-S347 PolarHBondContact NH1-O 3.17Å; R169-S347 PolarHBondContact NH2-O 3.38Å
170	L	91.3	Very high	83.8	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	141.5	176.2	176	142.7	0	0	0	111.2	T91 V92 I102 F104 I139 I141 I162 L165 S168 F172	T91-L170 VanDerWaalsContact CA-O 3.24Å; T91-L170 WeakPolarHBondContact CA-O 3.03Å; V92-L170 HydrophobicContact CG1-CB 4.03Å; V92-L170 HydrophobicContact CG1-CD2 4.25Å; V92-L170 PolarHBondContact N-O 2.89Å; V92-L170 PolarHBondContact O-N 3.37Å; I102-L170 HydrophobicContact CD1-CD1 4.38Å; I102-L170 HydrophobicContact CD1-CD2 4.18Å; F104-L170 HydrophobicContact CZ-CD2 4.25Å; I139-L170 HydrophobicContact CG2-CD1 3.96Å; I141-L170 HydrophobicContact CD1-CD1 4.48Å; I141-L170 HydrophobicContact CG1-CD1 4.06Å; I141-L170 HydrophobicContact CG1-CG 4.48Å; I162-L170 HydrophobicContact CD1-CD1 3.47Å; I162-L170 VanDerWaalsContact CD1-CD1 3.47Å; I162-L170 HydrophobicContact CD1-CD2 4.43Å; L165-L170 HydrophobicContact CD1-CD1 3.87Å; L165-L170 HydrophobicContact CD2-CD1 3.27Å; L165-L170 HydrophobicContact CG-CD1 4.2Å; S168-L170 PolarHBondContact O-N 2Å; L170-F172 HydrophobicContact CD2-CB 4.22Å
171	H	89.9	Confident	83.9	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.1	170.8	-53.1	-78.3	0	0	0	109.9	W89 F90 T91 W134 I139 R140 E142	W89-H171 AromaticContact CE2-ND1 3.9Å; W89-H171 AromaticContact CZ2-ND1 3.6Å; W89-H171 AromaticContact NE1-ND1 3.61Å; F90-H171 CarbonylContact O-C 3.6Å; F90-H171 WeakPolarHBondContact O-CA 3.48Å; T91-H171 PolarHBondContact OG1-ND1 2.72Å; W134-H171 HydrophobicContact CZ3-CB 4.29Å; I139-H171 WeakPolarHBondContact CA-O 3.17Å; R140-H171 HydrophobicContact CB-CB 4.47Å; R140-H171 PolarHBondContact N-O 2.9Å; R140-H171 PolarHBondContact O-N 3.27Å; E142-H171 VanDerWaalsContact CD-NE2 3.25Å; E142-H171 VanDerWaalsContact CG-NE2 3.32Å; E142-H171 WeakPolarHBondContact CG-NE2 3.46Å; E142-H171 IonicContact OE1-CE1 3.38Å; E142-H171 IonicContact OE1-NE2 3.56Å; E142-H171 PolarHBondContact OE1-NE2 3.03Å; E142-H171 IonicContact OE2-NE2 3.38Å
172	F	88.3	Confident	84.1	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.4	171.9	175.1	-91.1	0	0	0	109.1	L88 W89 F90 F104 K138 I139 L170 Q174	L88-F172 HydrophobicContact CD1-CD1 3.69Å; L88-F172 HydrophobicContact CD1-CE1 3.82Å; L88-F172 HydrophobicContact CD2-CE1 4.49Å; W89-F172 CarbonylContact C-O 3.56Å; W89-F172 WeakPolarHBondContact CA-O 3.28Å; F90-F172 HydrophobicContact CB-CB 4.28Å; F90-F172 HydrophobicContact CD1-CB 4.27Å; F90-F172 PolarHBondContact N-O 2.88Å; F90-F172 PolarHBondContact O-N 3.15Å; F104-F172 HydrophobicContact CB-CE2 4.39Å; F104-F172 HydrophobicContact CB-CZ 4.32Å; F104-F172 HydrophobicContact CD1-CD1 4.23Å; F104-F172 HydrophobicContact CD1-CD2 4.31Å; F104-F172 HydrophobicContact CD1-CE1 4.37Å; F104-F172 HydrophobicContact CD1-CE2 4.42Å; F104-F172 HydrophobicContact CD1-CG 4.2Å; F104-F172 HydrophobicContact CD1-CZ 4.46Å; F104-F172 AromaticContact CD2-CD2 3.78Å; F104-F172 HydrophobicContact CD2-CD2 3.78Å; F104-F172 AromaticContact CD2-CE2 3.79Å; F104-F172 HydrophobicContact CD2-CE2 3.79Å; F104-F172 HydrophobicContact CD2-CG 4.42Å; F104-F172 HydrophobicContact CD2-CZ 4.47Å; F104-F172 HydrophobicContact CE1-CB 3.98Å; F104-F172 HydrophobicContact CE1-CD1 4.18Å; F104-F172 HydrophobicContact CE1-CD2 4.19Å; F104-F172 AromaticContact CE1-CG 3.87Å; F104-F172 HydrophobicContact CE1-CG 3.87Å; F104-F172 HydrophobicContact CE2-CB 4.32Å; F104-F172 AromaticContact CE2-CD2 3.65Å; F104-F172 HydrophobicContact CE2-CD2 3.65Å; F104-F172 HydrophobicContact CE2-CE2 4.16Å; F104-F172 HydrophobicContact CE2-CG 4.11Å; F104-F172 HydrophobicContact CG-CD2 4.12Å; F104-F172 AromaticContact CG-CE2 3.93Å; F104-F172 HydrophobicContact CG-CE2 3.93Å; F104-F172 HydrophobicContact CG-CG 4.46Å; F104-F172 HydrophobicContact CG-CZ 4.16Å; F104-F172 HydrophobicContact CZ-CB 3.71Å; F104-F172 AromaticContact CZ-CD2 3.86Å; F104-F172 HydrophobicContact CZ-CD2 3.86Å; F104-F172 AromaticContact CZ-CG 3.82Å; F104-F172 HydrophobicContact CZ-CG 3.82Å; K138-F172 HydrophobicContact CD-CE2 4.2Å; K138-F172 HydrophobicContact CG-CD2 4.24Å; K138-F172 HydrophobicContact CG-CE2 3.76Å; K138-F172 HydrophobicContact CG-CZ 4.33Å; K138-F172 CarbonylContact O-C 3.59Å; K138-F172 WeakPolarHBondContact O-CA 3.46Å; I139-F172 HydrophobicContact CG1-CD2 3.96Å; L170-F172 HydrophobicContact CD2-CB 4.22Å; F172-Q174 HydrophobicContact CE1-CB 4.08Å; F172-Q174 HydrophobicContact CZ-CB 4.34Å
173	T	86.2	Confident	84.2	Confident	29 Å²	29	40.5 Å²	40.5	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137	178.4	49.8	0	0	0	0	110.5	L88 W89 Q137 K138	L88-T173 WeakPolarHBondContact O-CA 3.37Å; W89-T173 HydrophobicContact CB-CG2 4.33Å; W89-T173 HydrophobicContact CG-CG2 4.31Å; Q137-T173 PolarHBondContact O-OG1 3.29Å; K138-T173 WeakPolarHBondContact CA-O 3.3Å; K138-T173 PolarHBondContact O-N 3.48Å
174	Q	81.7	Confident	84.6	Confident	65 Å²	65	38.1 Å²	38.1	30%	0.304	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	128.2	170.6	-170.7	64.1	15.6	0	0	109.9	S87 L88 F172 Y177	S87-Q174 CarbonylContact C-O 3.57Å; S87-Q174 WeakPolarHBondContact CA-O 3.31Å; L88-Q174 HydrophobicContact CD2-CB 4.34Å; L88-Q174 HydrophobicContact CG-CB 4.24Å; L88-Q174 PolarHBondContact N-O 2.62Å; L88-Q174 PolarHBondContact O-N 3.26Å; F172-Q174 HydrophobicContact CE1-CB 4.08Å; F172-Q174 HydrophobicContact CZ-CB 4.34Å; Q174-Y177 HydrophobicContact CB-CD2 3.94Å; Q174-Y177 HydrophobicContact CG-CD2 3.7Å; Q174-Y177 HydrophobicContact CG-CE2 4.36Å
175	I	78.8	Confident	85.3	Confident	92 Å²	92	40.6 Å²	40.6	47%	0.472	19%	0.187	S	C	.	.	S	Bend	trans	-89.3	136.5	174.4	-61.1	169.9	0	0	0	107.6
176	K	76	Confident	86.2	Confident	139 Å²	139	40.5 Å²	40.5	60%	0.604	19%	0.187	S	C	*	.	S	Bend	trans	53.9	62.1	-179.9	-66.1	-179.9	-179.2	-177.5	0	111.8	N85 R86 K178	N85-K176 WeakPolarHBondContact OD1-CB 3.33Å; N85-K176 VanDerWaalsContact OD1-CG 3.23Å; N85-K176 WeakPolarHBondContact OD1-CG 3.38Å; R86-K176 PolarHBondContact O-N 2.76Å; K176-K178 PolarHBondContact O-N 3.34Å
177	Y	77.3	Confident	86.6	Confident	23 Å²	23	40 Å²	40	9%	0.09	18%	0.18	C	C	.	.			trans	-59.2	131.5	177.2	-157.9	-115.3	0	0	0	110.2	I82 N85 R86 L88 G106 Q174 T179 L182	I82-Y177 HydrophobicContact CD1-CD1 3.71Å; I82-Y177 HydrophobicContact CD1-CE1 4.11Å; I82-Y177 HydrophobicContact CD1-CG 4.29Å; N85-Y177 PolarHBondContact N-O 3.27Å; R86-Y177 PolarHBondContact O-N 3.24Å; L88-Y177 HydrophobicContact CD2-CD1 3.9Å; L88-Y177 HydrophobicContact CD2-CD2 3.29Å; L88-Y177 HydrophobicContact CD2-CE1 4.27Å; L88-Y177 HydrophobicContact CD2-CE2 3.76Å; L88-Y177 HydrophobicContact CD2-CG 3.41Å; L88-Y177 VanDerWaalsContact CD2-CG 3.41Å; L88-Y177 HydrophobicContact CG-CD2 4.49Å; G106-Y177 WeakPolarHBondContact CA-OH 3.5Å; G106-Y177 PolarHBondContact N-OH 3.29Å; Q174-Y177 HydrophobicContact CB-CD2 3.94Å; Q174-Y177 HydrophobicContact CG-CD2 3.7Å; Q174-Y177 HydrophobicContact CG-CE2 4.36Å; Y177-T179 VanDerWaalsContact C-N 3.28Å; Y177-T179 WeakPolarHBondContact CD1-O 3.19Å; Y177-T179 WeakPolarHBondContact CD1-OG1 3.41Å; Y177-T179 WeakPolarHBondContact CE1-OG1 3.4Å; Y177-T179 PolarHBondContact O-N 3.34Å; Y177-L182 HydrophobicContact CE1-CB 4.18Å; Y177-L182 HydrophobicContact CE1-CD1 4.32Å; Y177-L182 HydrophobicContact CE2-CD1 4.28Å; Y177-L182 WeakPolarHBondContact OH-CD1 3.33Å
178	K	77.9	Confident	86.5	Confident	186 Å²	186	35.9 Å²	35.9	81%	0.809	17%	0.168	S	C	*	.	S	Bend	trans	-69.7	-24.8	-170.2	-68.3	-176.6	178.8	179	0	113.7	K176	K176-K178 PolarHBondContact O-N 3.34Å
179	T	80.9	Confident	86.5	Confident	41 Å²	41	40.5 Å²	40.5	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-115.9	168.1	-175.4	65.6	0	0	0	0	110.1	G106 S107 Y177 S181	G106-T179 WeakPolarHBondContact CA-OG1 3.43Å; S107-T179 VanDerWaalsContact O-CB 3.29Å; S107-T179 WeakPolarHBondContact O-CB 2.95Å; Y177-T179 VanDerWaalsContact C-N 3.28Å; Y177-T179 WeakPolarHBondContact CD1-O 3.19Å; Y177-T179 WeakPolarHBondContact CD1-OG1 3.41Å; Y177-T179 WeakPolarHBondContact CE1-OG1 3.4Å; Y177-T179 PolarHBondContact O-N 3.34Å; T179-S181 PolarHBondContact OG1-O 3.24Å; T179-S181 VanDerWaalsContact OG1-O 3.08Å
180	D	81.4	Confident	86.5	Confident	11 Å²	11	44.4 Å²	44.4	6%	0.059	21%	0.214	C	C	.	.	S	Bend	trans	-82.1	-16.7	-177.9	70.6	-0.9	0	0	0	113.2	F81 I82 G83 S108 A109 Y110	F81-D180 HydrophobicContact CD2-CB 4.43Å; F81-D180 HydrophobicContact CE2-CB 3.87Å; I82-D180 PolarHBondContact N-O 3.34Å; G83-D180 PolarHBondContact N-O 3.16Å; S108-D180 VanDerWaalsContact CA-OD1 3.24Å; S108-D180 WeakPolarHBondContact CA-OD1 3.38Å; A109-D180 PolarHBondContact N-OD1 3.33Å; A109-D180 PolarHBondContact N-OD2 3.3Å; Y110-D180 PolarHBondContact N-OD2 2.93Å
181	S	84.3	Confident	86.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.4	-173.6	54.2	0	0	0	0	112.3	Y80 S107 A109 T179	Y80-S181 CarbonylContact O-C 3.4Å; Y80-S181 WeakPolarHBondContact O-CA 3.39Å; Y80-S181 WeakPolarHBondContact O-CB 3.48Å; S107-S181 VanDerWaalsContact C-OG 3.29Å; S107-S181 PolarHBondContact N-O 3.45Å; S107-S181 PolarHBondContact O-N 2.04Å; S107-S181 PolarHBondContact O-OG 2.93Å; S107-S181 PolarHBondContact OG-OG 2.79Å; A109-S181 PolarHBondContact N-OG 3.27Å; T179-S181 PolarHBondContact OG1-O 3.24Å; T179-S181 VanDerWaalsContact OG1-O 3.08Å
182	L	88.9	Confident	86.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.4	176.7	172.4	72	0	0	0	109.3	Q79 Y80 I82 L88 F90 F104 Y177 V184 F198	Q79-L182 CarbonylContact C-O 3.55Å; Q79-L182 WeakPolarHBondContact CA-O 3.47Å; Y80-L182 PolarHBondContact N-O 2.78Å; Y80-L182 PolarHBondContact O-N 2.93Å; I82-L182 HydrophobicContact CD1-CB 3.58Å; L88-L182 HydrophobicContact CD1-CD2 3.9Å; L88-L182 HydrophobicContact CD2-CD2 4.25Å; F90-L182 HydrophobicContact CB-CD2 4.4Å; F104-L182 HydrophobicContact CB-CD1 4.12Å; F104-L182 HydrophobicContact CD1-CD1 4.08Å; F104-L182 HydrophobicContact CD1-CD2 4.42Å; Y177-L182 HydrophobicContact CE1-CB 4.18Å; Y177-L182 HydrophobicContact CE1-CD1 4.32Å; Y177-L182 HydrophobicContact CE2-CD1 4.28Å; Y177-L182 WeakPolarHBondContact OH-CD1 3.33Å; L182-V184 HydrophobicContact CD2-CG2 3.85Å; L182-V184 HydrophobicContact CG-CG2 3.88Å; L182-F198 HydrophobicContact CD2-CE1 4.33Å
183	N	91	Very high	87	Confident	23 Å²	23	44.8 Å²	44.8	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.6	165.1	-60.5	-68.9	0	0	0	109.5	I78 Q79 F104 F105 S107	I78-N183 CarbonylContact O-C 3.5Å; I78-N183 WeakPolarHBondContact O-CA 3.47Å; Q79-N183 WeakPolarHBondContact CB-OD1 3.35Å; Q79-N183 VanDerWaalsContact CD-OD1 3.3Å; Q79-N183 WeakPolarHBondContact CG-OD1 3.47Å; F104-N183 WeakPolarHBondContact CA-O 3.41Å; F105-N183 PolarHBondContact N-O 2.85Å; F105-N183 PolarHBondContact O-N 2.95Å; S107-N183 VanDerWaalsContact CB-ND2 3.25Å; S107-N183 WeakPolarHBondContact CB-ND2 3.32Å; S107-N183 PolarHBondContact OG-ND2 3.18Å
184	V	93.6	Very high	87.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122	175.3	-171.2	0	0	0	0	108.2	I78 F90 I102 E103 F104 L182 L186 F198	I78-V184 HydrophobicContact CB-CB 4.42Å; I78-V184 PolarHBondContact N-O 3.49Å; I78-V184 PolarHBondContact O-N 2.03Å; F90-V184 HydrophobicContact CD2-CG2 4.43Å; F90-V184 HydrophobicContact CE1-CG1 3.88Å; F90-V184 HydrophobicContact CE1-CG2 4.46Å; F90-V184 HydrophobicContact CE2-CG2 4.29Å; F90-V184 HydrophobicContact CZ-CB 4.44Å; F90-V184 HydrophobicContact CZ-CG1 3.79Å; F90-V184 HydrophobicContact CZ-CG2 4.3Å; I102-V184 HydrophobicContact CG2-CG1 3.74Å; E103-V184 CarbonylContact O-C 3.47Å; E103-V184 WeakPolarHBondContact O-CA 3.33Å; F104-V184 HydrophobicContact CD1-CG1 4.25Å; F104-V184 HydrophobicContact CD1-CG2 3.93Å; F104-V184 HydrophobicContact CE1-CG1 3.93Å; F104-V184 HydrophobicContact CE1-CG2 4.01Å; L182-V184 HydrophobicContact CD2-CG2 3.85Å; L182-V184 HydrophobicContact CG-CG2 3.88Å; V184-L186 HydrophobicContact CG1-CD2 3.77Å; V184-L186 HydrophobicContact CG1-CG 4.31Å; V184-F198 HydrophobicContact CG2-CE1 4.17Å; V184-F198 HydrophobicContact CG2-CZ 4.42Å
185	R	93.4	Very high	88.1	Confident	81 Å²	81	40.9 Å²	40.9	31%	0.306	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.4	171.1	-63.9	-174.1	178.9	170.3	-3.6	109.3	Y75 L76 I102 E103 F105 Y187	Y75-R185 HydrophobicContact CD2-CB 3.85Å; Y75-R185 HydrophobicContact CD2-CG 3.62Å; Y75-R185 VanDerWaalsContact CE2-CD 3.49Å; Y75-R185 HydrophobicContact CE2-CG 3.81Å; Y75-R185 HydrophobicContact CG-CB 4.12Å; Y75-R185 HydrophobicContact CG-CG 4.27Å; L76-R185 WeakPolarHBondContact O-CA 3.32Å; I102-R185 WeakPolarHBondContact CA-O 3.47Å; E103-R185 HydrophobicContact CB-CB 4.34Å; E103-R185 PolarHBondContact N-O 2.83Å; E103-R185 PolarHBondContact O-N 2.74Å; F105-R185 HydrophobicContact CE2-CG 4.33Å; R185-Y187 HydrophobicContact CB-CE2 4.02Å
186	L	93.5	Very high	88.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.2	175.5	-56	-179.4	0	0	0	109	Y75 L76 I78 V92 L99 I102 V184 Y194 I196	Y75-L186 CarbonylContact C-O 3.43Å; Y75-L186 WeakPolarHBondContact CA-O 3.34Å; Y75-L186 WeakPolarHBondContact CB-O 3.38Å; L76-L186 HydrophobicContact CB-CB 4.37Å; L76-L186 HydrophobicContact CD2-CD1 4.45Å; L76-L186 PolarHBondContact N-O 2.98Å; L76-L186 PolarHBondContact O-N 3.26Å; I78-L186 HydrophobicContact CD1-CD1 3.57Å; I78-L186 HydrophobicContact CD1-CG 4.07Å; V92-L186 HydrophobicContact CG2-CD1 4.13Å; V92-L186 HydrophobicContact CG2-CD2 4.31Å; L99-L186 HydrophobicContact CD1-CB 4.22Å; L99-L186 HydrophobicContact CD1-CD2 4.45Å; L99-L186 HydrophobicContact CD2-CD2 4.34Å; I102-L186 HydrophobicContact CB-CD2 4.48Å; I102-L186 HydrophobicContact CD1-CD2 4.13Å; I102-L186 HydrophobicContact CG1-CD2 3.81Å; I102-L186 HydrophobicContact CG2-CD2 4.03Å; V184-L186 HydrophobicContact CG1-CD2 3.77Å; V184-L186 HydrophobicContact CG1-CG 4.31Å; L186-Y194 HydrophobicContact CD1-CD1 4.48Å; L186-Y194 HydrophobicContact CD1-CD2 4.13Å; L186-Y194 HydrophobicContact CD1-CG 4.08Å; L186-I196 HydrophobicContact CD1-CG2 4.25Å
187	Y	92	Very high	89.7	Confident	41 Å²	41	30.2 Å²	30.2	16%	0.161	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.6	177.6	-69.3	-101.2	0	0	0	110	S74 Y75 R101 E103 R185	S74-Y187 WeakPolarHBondContact O-CD1 3.33Å; Y75-Y187 AromaticContact CD1-CE1 3.91Å; Y75-Y187 HydrophobicContact CD1-CE1 3.91Å; Y75-Y187 HydrophobicContact CG-CE1 4.37Å; R101-Y187 HydrophobicContact CB-CD2 3.83Å; R101-Y187 HydrophobicContact CB-CG 3.98Å; R101-Y187 HydrophobicContact CG-CD2 3.51Å; R101-Y187 HydrophobicContact CG-CE2 3.89Å; R101-Y187 HydrophobicContact CG-CG 4.09Å; R101-Y187 PolarHBondContact O-N 3.31Å; E103-Y187 HydrophobicContact CG-CE2 3.95Å; E103-Y187 WeakPolarHBondContact OE1-CE2 3.34Å; E103-Y187 PolarHBondContact OE1-OH 3.37Å; R185-Y187 HydrophobicContact CB-CE2 4.02Å
188	G	88.5	Confident	90.2	Very high	14 Å²	14	29.1 Å²	29.1	14%	0.144	14%	0.142	C	C	.	.			trans	-162.8	-178.2	177.6	0	0	0	0	0	110.5	H69 D192	H69-G188 PolarHBondContact CE1-O 2.93Å; H69-G188 PolarHBondContact ND1-O 3.38Å; G188-D192 WeakPolarHBondContact CA-OD2 3.35Å
189	N	90	Very high	90.5	Very high	99 Å²	99	20.4 Å²	20.4	53%	0.529	10%	0.104	S	C	.	.			trans	-85.7	163.3	179.3	-58.2	-52.9	0	0	0	111.4	H69 G191 D192	H69-N189 WeakPolarHBondContact CB-O 3.36Å; H69-N189 PolarHBondContact ND1-O 3Å; N189-G191 PolarHBondContact O-N 3.26Å; N189-D192 PolarHBondContact N-OD2 2.84Å; N189-D192 VanDerWaalsContact O-CB 3.28Å; N189-D192 WeakPolarHBondContact O-CB 3.11Å; N189-D192 PolarHBondContact O-N 3.36Å; N189-D192 VanDerWaalsContact O-N 3.13Å
190	I	91.6	Very high	90.2	Very high	85 Å²	85	20 Å²	20	44%	0.436	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	134.7	170.9	-56.2	176.5	0	0	0	108.8	H69 D192 L292	H69-I190 CarbonylContact O-C 3.58Å; H69-I190 WeakPolarHBondContact O-CA 3.37Å; I190-D192 VanDerWaalsContact C-N 3.3Å; I190-L292 HydrophobicContact CG2-CD1 4.1Å; I190-L292 HydrophobicContact CG2-CD2 3.85Å; I190-L292 HydrophobicContact CG2-CG 4.44Å
191	G	91.9	Very high	89.7	Confident	3 Å²	3	21.8 Å²	21.8	3%	0.031	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-6.7	-177.3	0	0	0	0	0	114.6	H69 N189 T193 R293	H69-G191 PolarHBondContact O-N 2.69Å; N189-G191 PolarHBondContact O-N 3.26Å; G191-T193 WeakPolarHBondContact O-CG2 3.18Å; G191-T193 PolarHBondContact O-N 2.92Å; G191-R293 WeakPolarHBondContact O-CD 3.49Å; G191-R293 WeakPolarHBondContact O-CG 3.34Å
192	D	93.6	Very high	88.6	Confident	8 Å²	8	31.6 Å²	31.6	4%	0.043	15%	0.145	C	C	.	.			trans	-65.5	136	172.8	-71.3	-11.7	0	0	0	110.5	V68 H69 N97 G188 N189 I190 Y194	V68-D192 WeakPolarHBondContact CA-O 3.38Å; H69-D192 PolarHBondContact N-O 2.78Å; N97-D192 HydrophobicContact CB-CB 4.49Å; N97-D192 VanDerWaalsContact CB-CG 3.5Å; N97-D192 WeakPolarHBondContact CB-OD1 3.41Å; N97-D192 PolarHBondContact ND2-OD1 3.28Å; G188-D192 WeakPolarHBondContact CA-OD2 3.35Å; N189-D192 PolarHBondContact N-OD2 2.84Å; N189-D192 VanDerWaalsContact O-CB 3.28Å; N189-D192 WeakPolarHBondContact O-CB 3.11Å; N189-D192 PolarHBondContact O-N 3.36Å; N189-D192 VanDerWaalsContact O-N 3.13Å; I190-D192 VanDerWaalsContact C-N 3.3Å; D192-Y194 HydrophobicContact CB-CE2 3.92Å; D192-Y194 WeakPolarHBondContact CB-OH 3.01Å
193	T	95.1	Very high	87.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.5	-174.2	59.6	0	0	0	0	110.7	V67 V68 C95 T96 G191 F286	V67-T193 WeakPolarHBondContact O-CA 3.25Å; V68-T193 HydrophobicContact CG1-CG2 4.19Å; V68-T193 HydrophobicContact CG2-CG2 3.9Å; C95-T193 WeakPolarHBondContact CB-O 3.16Å; C95-T193 VanDerWaalsContact CB-OG1 3.25Å; C95-T193 WeakPolarHBondContact CB-OG1 3.42Å; C95-T193 PolarHBondContact N-O 3.45Å; T96-T193 HydrophobicContact CG2-CG2 4.28Å; T96-T193 WeakPolarHBondContact CG2-OG1 3.22Å; T96-T193 PolarHBondContact N-OG1 3.1Å; T96-T193 PolarHBondContact OG1-N 2.91Å; T96-T193 PolarHBondContact OG1-OG1 3.4Å; G191-T193 WeakPolarHBondContact O-CG2 3.18Å; G191-T193 PolarHBondContact O-N 2.92Å; T193-F286 HydrophobicContact CG2-CD1 4.18Å; T193-F286 HydrophobicContact CG2-CE1 3.93Å; T193-F286 HydrophobicContact CG2-CZ 4.45Å
194	Y	95.4	Very high	86.2	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148	-178.9	-47.1	-88.2	0	0	0	110.3	V67 L76 V92 T93 P94 L99 L186 D192	V67-Y194 HydrophobicContact CG2-CD2 4.28Å; V67-Y194 WeakPolarHBondContact CG2-O 3.35Å; V67-Y194 PolarHBondContact N-O 3.07Å; V67-Y194 PolarHBondContact O-N 2.88Å; L76-Y194 HydrophobicContact CD2-CD2 4.42Å; V92-Y194 HydrophobicContact CG2-CD1 4.05Å; V92-Y194 HydrophobicContact CG2-CG 4.38Å; T93-Y194 WeakPolarHBondContact O-CA 3.3Å; P94-Y194 HydrophobicContact CB-CD1 4.29Å; P94-Y194 HydrophobicContact CB-CE1 4.4Å; L99-Y194 HydrophobicContact CB-CE1 4.29Å; L99-Y194 HydrophobicContact CD1-CE1 3.84Å; L99-Y194 HydrophobicContact CD2-CD1 4.49Å; L99-Y194 HydrophobicContact CD2-CE1 4.32Å; L99-Y194 HydrophobicContact CG-CE1 4.38Å; L186-Y194 HydrophobicContact CD1-CD1 4.48Å; L186-Y194 HydrophobicContact CD1-CD2 4.13Å; L186-Y194 HydrophobicContact CD1-CG 4.08Å; D192-Y194 HydrophobicContact CB-CE2 3.92Å; D192-Y194 WeakPolarHBondContact CB-OH 3.01Å
195	N	95.8	Very high	84.7	Confident	11 Å²	11	33.1 Å²	33.1	6%	0.059	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.4	160.9	-85.7	23.5	0	0	0	108.5	E64 F65 V92 T93 C95 C262	E64-N195 HydrophobicContact CG-CB 3.86Å; E64-N195 PolarHBondContact OE2-ND2 2.82Å; F65-N195 CarbonylContact O-C 3.6Å; F65-N195 WeakPolarHBondContact O-CA 3.48Å; V92-N195 CarbonylContact C-O 3.59Å; V92-N195 WeakPolarHBondContact CA-O 3.35Å; T93-N195 PolarHBondContact N-O 3.47Å; T93-N195 PolarHBondContact O-N 2.94Å; C95-N195 PolarHBondContact SG-N 3.06Å; C95-N195 VanDerWaalsContact SG-N 3.38Å; N195-C262 HydrophobicContact CB-CB 4.37Å; N195-C262 VanDerWaalsContact CG-CB 3.49Å; N195-C262 WeakPolarHBondContact ND2-CB 3.47Å; N195-C262 WeakPolarHBondContact OD1-CB 3.37Å
196	I	94.9	Very high	83.3	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.2	179.8	65.2	173	0	0	0	111.4	L50 E64 F65 V67 I78 F90 T91 V92 L186 F198	L50-I196 HydrophobicContact CD1-CD1 3.77Å; L50-I196 HydrophobicContact CD1-CG1 4.32Å; L50-I196 HydrophobicContact CD2-CD1 3.99Å; E64-I196 CarbonylContact C-O 3.58Å; E64-I196 VanDerWaalsContact CA-O 3.32Å; E64-I196 WeakPolarHBondContact CA-O 3.4Å; F65-I196 HydrophobicContact CB-CG1 4.08Å; F65-I196 PolarHBondContact N-O 2.81Å; F65-I196 PolarHBondContact O-N 3.48Å; V67-I196 HydrophobicContact CG1-CD1 3.82Å; V67-I196 HydrophobicContact CG1-CG1 4.09Å; V67-I196 HydrophobicContact CG2-CD1 4.33Å; V67-I196 HydrophobicContact CG2-CG1 4.37Å; V67-I196 HydrophobicContact CG2-CG2 4.01Å; I78-I196 HydrophobicContact CD1-CD1 3.58Å; I78-I196 HydrophobicContact CD1-CG2 4.13Å; I78-I196 HydrophobicContact CG1-CD1 4.07Å; I78-I196 HydrophobicContact CG2-CD1 3.82Å; F90-I196 HydrophobicContact CE2-CB 4.02Å; F90-I196 HydrophobicContact CE2-CG2 4.14Å; F90-I196 HydrophobicContact CZ-CG2 4.21Å; T91-I196 CarbonylContact O-C 3.53Å; T91-I196 WeakPolarHBondContact O-CA 3.06Å; V92-I196 HydrophobicContact CB-CG2 4.34Å; V92-I196 HydrophobicContact CG2-CG2 4.08Å; L186-I196 HydrophobicContact CD1-CG2 4.25Å; I196-F198 HydrophobicContact CD1-CE2 3.76Å; I196-F198 HydrophobicContact CD1-CZ 4.36Å; I196-F198 HydrophobicContact CG1-CE2 4.39Å
197	R	92.1	Very high	81.6	Confident	7 Å²	7	30.4 Å²	30.4	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.6	178.6	-161.2	178.4	160.7	-150.4	10.3	109.6	A62 I63 E64 W89 F90 T91 D209	A62-R197 PolarHBondContact O-NE 3.19Å; A62-R197 PolarHBondContact O-NH2 2.99Å; I63-R197 WeakPolarHBondContact O-CG 3.19Å; E64-R197 HydrophobicContact CB-CB 4.27Å; E64-R197 HydrophobicContact CB-CG 4.19Å; E64-R197 HydrophobicContact CG-CB 4.34Å; W89-R197 HydrophobicContact CH2-CB 3.83Å; W89-R197 HydrophobicContact CH2-CG 3.91Å; W89-R197 HydrophobicContact CZ3-CB 3.72Å; W89-R197 HydrophobicContact CZ3-CG 3.56Å; F90-R197 CarbonylContact C-O 3.54Å; F90-R197 WeakPolarHBondContact CA-O 3.3Å; T91-R197 PolarHBondContact N-O 3.08Å; T91-R197 PolarHBondContact O-N 2.76Å; R197-D209 PolarHBondContact NH2-O 2.8Å
198	F	88.8	Confident	80.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.9	174.1	-64.2	-80.3	0	0	0	109.8	I56 A62 I78 Y80 W89 F90 L182 V184 I196	I56-F198 HydrophobicContact CG2-CD2 4.34Å; A62-F198 WeakPolarHBondContact CA-O 3.32Å; A62-F198 PolarHBondContact N-O 3.04Å; I78-F198 HydrophobicContact CB-CZ 4.5Å; I78-F198 HydrophobicContact CG2-CE2 3.63Å; I78-F198 HydrophobicContact CG2-CZ 3.43Å; I78-F198 VanDerWaalsContact CG2-CZ 3.43Å; Y80-F198 HydrophobicContact CD1-CB 3.79Å; Y80-F198 AromaticContact CD1-CD1 3.5Å; Y80-F198 HydrophobicContact CD1-CD1 3.5Å; Y80-F198 HydrophobicContact CD1-CE1 4.34Å; Y80-F198 AromaticContact CD1-CG 3.84Å; Y80-F198 HydrophobicContact CD1-CG 3.84Å; Y80-F198 HydrophobicContact CD2-CB 3.73Å; Y80-F198 HydrophobicContact CD2-CD1 4.21Å; Y80-F198 HydrophobicContact CD2-CD2 4.25Å; Y80-F198 AromaticContact CD2-CG 3.81Å; Y80-F198 HydrophobicContact CD2-CG 3.81Å; Y80-F198 HydrophobicContact CE1-CB 3.76Å; Y80-F198 HydrophobicContact CE1-CD1 4.27Å; Y80-F198 HydrophobicContact CE1-CG 4.34Å; Y80-F198 HydrophobicContact CE2-CB 3.72Å; Y80-F198 HydrophobicContact CE2-CG 4.32Å; Y80-F198 HydrophobicContact CG-CB 3.78Å; Y80-F198 AromaticContact CG-CD1 3.47Å; Y80-F198 HydrophobicContact CG-CD1 3.47Å; Y80-F198 VanDerWaalsContact CG-CD1 3.47Å; Y80-F198 HydrophobicContact CG-CD2 4.24Å; Y80-F198 HydrophobicContact CG-CE1 4.09Å; Y80-F198 AromaticContact CG-CG 3.56Å; Y80-F198 HydrophobicContact CG-CG 3.56Å; W89-F198 CarbonylContact O-C 3.49Å; W89-F198 WeakPolarHBondContact O-CA 3.45Å; F90-F198 HydrophobicContact CB-CD1 4.3Å; F90-F198 HydrophobicContact CB-CE1 4.34Å; F90-F198 AromaticContact CD2-CD1 3.61Å; F90-F198 HydrophobicContact CD2-CD1 3.61Å; F90-F198 AromaticContact CD2-CE1 3.16Å; F90-F198 HydrophobicContact CD2-CE1 3.16Å; F90-F198 HydrophobicContact CD2-CE2 4.35Å; F90-F198 HydrophobicContact CD2-CG 4.36Å; F90-F198 AromaticContact CD2-CZ 3.57Å; F90-F198 HydrophobicContact CD2-CZ 3.57Å; F90-F198 HydrophobicContact CE2-CD1 4.43Å; F90-F198 AromaticContact CE2-CE1 3.67Å; F90-F198 HydrophobicContact CE2-CE1 3.67Å; F90-F198 HydrophobicContact CE2-CE2 4.29Å; F90-F198 AromaticContact CE2-CZ 3.55Å; F90-F198 HydrophobicContact CE2-CZ 3.55Å; F90-F198 HydrophobicContact CG-CD1 4.4Å; F90-F198 HydrophobicContact CG-CE1 4.06Å; L182-F198 HydrophobicContact CD2-CE1 4.33Å; V184-F198 HydrophobicContact CG2-CE1 4.17Å; V184-F198 HydrophobicContact CG2-CZ 4.42Å; I196-F198 HydrophobicContact CD1-CE2 3.76Å; I196-F198 HydrophobicContact CD1-CZ 4.36Å; I196-F198 HydrophobicContact CG1-CE2 4.39Å
199	S	84.3	Confident	79.4	Confident	3 Å²	3	29 Å²	29	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	150.1	169.1	-171.1	0	0	0	0	111.8	D61 L88 W89 R201	D61-S199 WeakPolarHBondContact OD1-CA 3.5Å; D61-S199 PolarHBondContact OD1-OG 2.82Å; D61-S199 PolarHBondContact OD2-OG 3.14Å; L88-S199 CarbonylContact C-O 3.6Å; L88-S199 WeakPolarHBondContact CA-O 3.44Å; W89-S199 PolarHBondContact N-O 3.36Å; W89-S199 PolarHBondContact O-N 2.87Å; S199-R201 WeakPolarHBondContact OG-CB 3.43Å; S199-R201 WeakPolarHBondContact OG-CD 3.4Å; S199-R201 WeakPolarHBondContact OG-CG 3.21Å; S199-R201 PolarHBondContact OG-N 3.19Å
200	T	74.8	Confident	78.9	Confident	32 Å²	32	24.3 Å²	24.3	20%	0.196	11%	0.112	C	C	.	.	S	Bend	trans	-84.1	2.1	169.3	53	0	0	0	0	113.1	D61 I82 S87	D61-T200 PolarHBondContact OD1-N 2.87Å; D61-T200 PolarHBondContact OD1-OG1 3.05Å; I82-T200 HydrophobicContact CG2-CG2 4.25Å; S87-T200 CarbonylContact O-C 3.58Å; S87-T200 VanDerWaalsContact O-CA 3.28Å; S87-T200 WeakPolarHBondContact O-CA 3.28Å
201	R	69.3	Low	78.6	Confident	50 Å²	50	20.4 Å²	20.4	19%	0.189	9%	0.092	C	C	.	.	S	Bend	trans	-80.9	158.9	-179.1	-62.9	168.6	-168.1	-131.5	-20.6	112.4	D61 S199 D209	D61-R201 IonicContact OD2-NE 3.62Å; D61-R201 PolarHBondContact OD2-NE 3.45Å; S199-R201 WeakPolarHBondContact OG-CB 3.43Å; S199-R201 WeakPolarHBondContact OG-CD 3.4Å; S199-R201 WeakPolarHBondContact OG-CG 3.21Å; S199-R201 PolarHBondContact OG-N 3.19Å; R201-D209 IonicContact NH1-OD2 3.44Å; R201-D209 PolarHBondContact NH1-OD2 3.11Å; R201-D209 VanDerWaalsContact NH1-OD2 3.13Å
202	R	62.3	Low	78.4	Confident	205 Å²	205	20.3 Å²	20.3	77%	0.774	9%	0.091	S	C	*	.	S	Bend	trans	-77.9	-15.3	-179.6	-66.3	-175.5	-179	173.1	2.3	115
203	S	65.1	Low	77.9	Confident	17 Å²	17	22.5 Å²	22.5	12%	0.119	10%	0.101	C	C	.	.			trans	-149.4	140.2	-175.5	177.4	0	0	0	0	113.7	K205	S203-K205 VanDerWaalsContact C-N 3.34Å; S203-K205 PolarHBondContact OG-N 3.18Å; S203-K205 VanDerWaalsContact OG-N 3.13Å; S203-K205 PolarHBondContact OG-O 3.27Å
204	P	64.5	Low	77.3	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.013	11%	0.108	C	C	.	.	S	Bend	trans	-68.5	-29.6	168.4	21.3	-28.6	0	0	0	114.4	W89 W134 H206 G210 Y211	W89-P204 VanDerWaalsContact CE2-CB 3.49Å; W89-P204 HydrophobicContact CH2-CB 4.34Å; W89-P204 HydrophobicContact CZ2-CB 3.35Å; W89-P204 HydrophobicContact CZ2-CG 4.3Å; W134-P204 HydrophobicContact CD2-CG 3.91Å; W134-P204 HydrophobicContact CE3-CG 3.66Å; W134-P204 HydrophobicContact CH2-CB 4.37Å; W134-P204 HydrophobicContact CH2-CG 3.15Å; W134-P204 HydrophobicContact CZ2-CG 3.42Å; W134-P204 VanDerWaalsContact CZ2-CG 3.42Å; W134-P204 HydrophobicContact CZ3-CG 3.26Å; P204-H206 PolarHBondContact O-N 3.05Å; P204-G210 WeakPolarHBondContact O-CA 2.95Å; P204-Y211 HydrophobicContact CB-CD2 4.23Å; P204-Y211 PolarHBondContact O-N 3.33Å
205	K	62.8	Low	76.3	Confident	36 Å²	36	25.4 Å²	25.4	16%	0.157	12%	0.116	C	C	.	.			trans	-98.4	82.2	-173.6	-72.4	-172	179.2	175.4	0	108.2	W134 S203 E213	W134-K205 HydrophobicContact CZ2-CB 4.22Å; W134-K205 HydrophobicContact CZ2-CD 3.46Å; W134-K205 VanDerWaalsContact CZ2-CD 3.46Å; W134-K205 HydrophobicContact CZ2-CG 3.52Å; S203-K205 VanDerWaalsContact C-N 3.34Å; S203-K205 PolarHBondContact OG-N 3.18Å; S203-K205 VanDerWaalsContact OG-N 3.13Å; S203-K205 PolarHBondContact OG-O 3.27Å; K205-E213 IonicContact NZ-OE1 2.69Å; K205-E213 PolarHBondContact NZ-OE1 2.95Å
206	H	62.3	Low	74.9	Confident	13 Å²	13	34 Å²	34	6%	0.06	16%	0.156	C	C	.	.			trans	-96.1	136.3	167.3	-165.8	-104.4	0	0	0	109.4	S125 P204 L208 D209 G210 M244	S125-H206 PolarHBondContact OG-CE1 3.09Å; P204-H206 PolarHBondContact O-N 3.05Å; H206-L208 PolarHBondContact ND1-N 2.88Å; H206-L208 PolarHBondContact O-N 2.87Å; H206-D209 HydrophobicContact CB-CB 4.42Å; H206-D209 PolarHBondContact ND1-N 2.81Å; H206-D209 IonicContact ND1-OD2 2.85Å; H206-G210 VanDerWaalsContact O-CA 3.25Å; H206-G210 WeakPolarHBondContact O-CA 3.48Å; H206-G210 PolarHBondContact O-N 3.23Å; H206-M244 WeakPolarHBondContact O-CE 3.02Å
207	A	59.5	Low	73.5	Confident	12 Å²	12	37.7 Å²	37.7	10%	0.099	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.7	-176.9	0	0	0	0	0	115	Y130 S243 M244	Y130-A207 HydrophobicContact CD2-CB 3.64Å; Y130-A207 HydrophobicContact CG-CB 3.84Å; A207-S243 PolarHBondContact O-OG 2.88Å; A207-M244 WeakPolarHBondContact O-CG 3.32Å
208	L	63.6	Low	72.4	Confident	25 Å²	25	37.9 Å²	37.9	13%	0.131	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-39.9	177.1	-61.6	174.4	0	0	0	113.3	H206 N341	H206-L208 PolarHBondContact ND1-N 2.88Å; H206-L208 PolarHBondContact O-N 2.87Å; L208-N341 PolarHBondContact O-ND2 2.93Å
209	D	69.5	Low	71.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	6.2	-170	-54.7	-37.8	0	0	0	113.1	L124 S125 R197 R201 H206 R343 M344 I346	L124-D209 WeakPolarHBondContact CB-OD2 3.43Å; S125-D209 PolarHBondContact OG-OD2 3.15Å; R197-D209 PolarHBondContact NH2-O 2.8Å; R201-D209 IonicContact NH1-OD2 3.44Å; R201-D209 PolarHBondContact NH1-OD2 3.11Å; R201-D209 VanDerWaalsContact NH1-OD2 3.13Å; H206-D209 HydrophobicContact CB-CB 4.42Å; H206-D209 PolarHBondContact ND1-N 2.81Å; H206-D209 IonicContact ND1-OD2 2.85Å; D209-R343 VanDerWaalsContact OD1-CD 3.29Å; D209-R343 WeakPolarHBondContact OD1-CD 3.49Å; D209-R343 IonicContact OD1-CZ 3.97Å; D209-R343 IonicContact OD1-NE 3.9Å; D209-R343 PolarHBondContact OD1-NE 2.73Å; D209-R343 IonicContact OD1-NH2 3.58Å; D209-M344 HydrophobicContact CB-CG 3.81Å; D209-M344 HydrophobicContact CB-SD 4.19Å; D209-M344 WeakPolarHBondContact O-CG 3.32Å; D209-I346 WeakPolarHBondContact O-CD1 3.39Å
210	G	78.7	Confident	71.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-96.6	174.1	-176.8	0	0	0	0	0	113.7	P204 H206 N341 I346	P204-G210 WeakPolarHBondContact O-CA 2.95Å; H206-G210 VanDerWaalsContact O-CA 3.25Å; H206-G210 WeakPolarHBondContact O-CA 3.48Å; H206-G210 PolarHBondContact O-N 3.23Å; G210-N341 PolarHBondContact O-ND2 3.35Å; G210-N341 VanDerWaalsContact O-ND2 3.08Å; G210-I346 WeakPolarHBondContact O-CD1 3.42Å
211	Y	86.8	Confident	72.2	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.008	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-63	134.8	172	-70	-80.7	0	0	0	109.9	E64 W89 T91 R169 P204 I346 S347	E64-Y211 PolarHBondContact OE1-OH 3.16Å; W89-Y211 AromaticContact CH2-CE2 3.85Å; W89-Y211 HydrophobicContact CH2-CE2 3.85Å; W89-Y211 AromaticContact CZ2-CE2 3.96Å; W89-Y211 HydrophobicContact CZ2-CE2 3.96Å; T91-Y211 HydrophobicContact CG2-CE2 4.27Å; R169-Y211 VanDerWaalsContact CZ-CE1 3.5Å; R169-Y211 VanDerWaalsContact NH1-CD1 3.3Å; P204-Y211 HydrophobicContact CB-CD2 4.23Å; P204-Y211 PolarHBondContact O-N 3.33Å; Y211-I346 HydrophobicContact CD1-CB 3.94Å; Y211-I346 HydrophobicContact CD1-CD1 4.28Å; Y211-I346 HydrophobicContact CD1-CG1 4.19Å; Y211-I346 HydrophobicContact CE1-CB 3.73Å; Y211-I346 HydrophobicContact CE1-CG1 4.42Å; Y211-I346 HydrophobicContact CE1-CG2 4.3Å; Y211-I346 HydrophobicContact CG-CD1 4.28Å; Y211-S347 WeakPolarHBondContact CD1-O 3.15Å
212	P	87.4	Confident	73	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.013	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-58.5	138.4	175.7	-25.8	36	0	0	0	112	V239 M244 I246 A339 N341 T348	P212-V239 HydrophobicContact CB-CG1 3.85Å; P212-M244 HydrophobicContact CB-SD 4.34Å; P212-M244 HydrophobicContact CG-SD 4.32Å; P212-I246 HydrophobicContact CB-CD1 3.94Å; P212-I246 HydrophobicContact CG-CD1 3.65Å; P212-A339 HydrophobicContact CB-CB 3.89Å; P212-A339 HydrophobicContact CG-CB 4.23Å; P212-N341 HydrophobicContact CG-CB 4.07Å; P212-T348 WeakPolarHBondContact CD-OG1 3.11Å; P212-T348 VanDerWaalsContact O-CB 3.23Å; P212-T348 WeakPolarHBondContact O-CB 3.2Å; P212-T348 WeakPolarHBondContact O-CG2 3.35Å; P212-T348 PolarHBondContact O-OG1 3.19Å
213	E	82.6	Confident	74	Confident	53 Å²	53	34.2 Å²	34.2	25%	0.248	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-98.4	125.1	179	-161.9	168.6	-141.4	0	0	111.1	K205 I240 H241	K205-E213 IonicContact NZ-OE1 2.69Å; K205-E213 PolarHBondContact NZ-OE1 2.95Å; E213-I240 HydrophobicContact CG-CD1 4.09Å; E213-I240 PolarHBondContact O-N 2.89Å; E213-H241 IonicContact OE2-CD2 3.28Å; E213-H241 IonicContact OE2-NE2 3.75Å; E213-H241 PolarHBondContact OE2-NE2 3.19Å
214	L	83	Confident	75	Confident	27 Å²	27	34.3 Å²	34.3	14%	0.141	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-96	149.3	-179	-52.4	-171.8	0	0	0	110.9	V239 I240 A339 T348 S349 Y350	L214-V239 HydrophobicContact CD2-CG1 3.97Å; L214-I240 WeakPolarHBondContact O-CD1 3.1Å; L214-A339 HydrophobicContact CD2-CB 3.96Å; L214-T348 HydrophobicContact CD1-CG2 3.87Å; L214-T348 HydrophobicContact CG-CG2 3.81Å; L214-S349 WeakPolarHBondContact CD1-O 3.39Å; L214-Y350 HydrophobicContact CD1-CD1 3.96Å; L214-Y350 HydrophobicContact CD1-CD2 3.86Å; L214-Y350 HydrophobicContact CD1-CE1 4.11Å; L214-Y350 HydrophobicContact CD1-CE2 4.01Å; L214-Y350 HydrophobicContact CD1-CG 3.83Å; L214-Y350 HydrophobicContact CD2-CD2 4.39Å; L214-Y350 HydrophobicContact CD2-CE1 4.07Å; L214-Y350 HydrophobicContact CD2-CE2 3.7Å; L214-Y350 WeakPolarHBondContact CD2-OH 3.25Å
215	D	74.2	Confident	76	Confident	35 Å²	35	35.2 Å²	35.2	19%	0.187	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-69.6	132.6	168.8	-167.7	-34.7	0	0	0	109.8	T217 S218 K237 I240	D215-T217 PolarHBondContact O-N 2.76Å; D215-T217 VanDerWaalsContact O-N 3.11Å; D215-T217 PolarHBondContact OD1-N 3.4Å; D215-T217 PolarHBondContact OD1-OG1 3.29Å; D215-T217 PolarHBondContact OD2-OG1 2.87Å; D215-S218 VanDerWaalsContact O-CB 3.26Å; D215-S218 WeakPolarHBondContact O-CB 3.39Å; D215-S218 PolarHBondContact O-N 2.96Å; D215-S218 PolarHBondContact O-OG 2.9Å; D215-K237 HydrophobicContact CB-CD 4.06Å; D215-K237 WeakPolarHBondContact OD2-CE 3.42Å; D215-K237 IonicContact OD2-NZ 2.94Å; D215-K237 PolarHBondContact OD2-NZ 2.94Å; D215-I240 HydrophobicContact CB-CG1 4.26Å
216	Q	65.3	Low	76.6	Confident	192 Å²	192	37.4 Å²	37.4	90%	0.897	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.3	175.8	-66.8	179.5	-13.5	0	0	112.9
217	T	66.2	Low	77.2	Confident	77 Å²	77	44.9 Å²	44.9	47%	0.472	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	9.1	178.3	62.3	0	0	0	0	113.7	D215 T219	D215-T217 PolarHBondContact O-N 2.76Å; D215-T217 VanDerWaalsContact O-N 3.11Å; D215-T217 PolarHBondContact OD1-N 3.4Å; D215-T217 PolarHBondContact OD1-OG1 3.29Å; D215-T217 PolarHBondContact OD2-OG1 2.87Å; T217-T219 PolarHBondContact O-N 2.82Å
218	S	69	Low	78.1	Confident	12 Å²	12	46 Å²	46	8%	0.084	25%	0.251	C	S	.	.			trans	-64.9	117.9	-179.4	55.1	0	0	0	0	111.3	D215	D215-S218 VanDerWaalsContact O-CB 3.26Å; D215-S218 WeakPolarHBondContact O-CB 3.39Å; D215-S218 PolarHBondContact O-N 2.96Å; D215-S218 PolarHBondContact O-OG 2.9Å
219	T	75.7	Confident	78.9	Confident	97 Å²	97	50 Å²	50	60%	0.595	27%	0.272	S	S	*	.			trans	-114.5	147.6	174.2	53.3	0	0	0	0	109.7	T217	T217-T219 PolarHBondContact O-N 2.82Å
220	I	84.2	Confident	79.7	Confident	15 Å²	15	51.9 Å²	51.9	8%	0.077	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.8	174.3	-56.3	173.1	0	0	0	107.6	V222 I234 I337 P351 K353	I220-V222 HydrophobicContact CG2-CG2 3.9Å; I220-I234 HydrophobicContact CG2-CG2 3.83Å; I220-I337 HydrophobicContact CB-CD1 4.49Å; I220-I337 HydrophobicContact CD1-CB 4.43Å; I220-I337 HydrophobicContact CD1-CD1 3.66Å; I220-I337 HydrophobicContact CD1-CG1 3.82Å; I220-I337 HydrophobicContact CG1-CD1 3.87Å; I220-I337 HydrophobicContact CG2-CD1 3.82Å; I220-P351 WeakPolarHBondContact CD1-O 3.28Å; I220-K353 HydrophobicContact CB-CB 3.93Å; I220-K353 HydrophobicContact CB-CG 4.42Å; I220-K353 HydrophobicContact CD1-CB 3.98Å; I220-K353 HydrophobicContact CG2-CB 4.04Å; I220-K353 HydrophobicContact CG2-CG 4.37Å
221	S	83.2	Confident	80.3	Confident	46 Å²	46	52.9 Å²	52.9	32%	0.322	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137.5	170.8	77.2	0	0	0	0	109.9	I234 S235	S221-I234 WeakPolarHBondContact O-CA 3.31Å; S221-S235 PolarHBondContact N-O 2.94Å; S221-S235 PolarHBondContact O-N 3.48Å; S221-S235 PolarHBondContact OG-O 3.13Å; S221-S235 PolarHBondContact OG-OG 3.01Å
222	V	86.3	Confident	80.4	Confident	25 Å²	25	52.8 Å²	52.8	15%	0.152	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.1	-176.1	-176	0	0	0	0	107.8	I220 L232 D233 I234 I335 K353 I355	I220-V222 HydrophobicContact CG2-CG2 3.9Å; V222-L232 HydrophobicContact CG1-CB 4.45Å; V222-L232 HydrophobicContact CG1-CD1 4.16Å; V222-L232 HydrophobicContact CG1-CD2 4.43Å; V222-D233 WeakPolarHBondContact CA-O 3.46Å; V222-I234 HydrophobicContact CG1-CG1 4.16Å; V222-I234 HydrophobicContact CG2-CG1 4.29Å; V222-I234 HydrophobicContact CG2-CG2 4.25Å; V222-I335 HydrophobicContact CB-CD1 4.47Å; V222-I335 HydrophobicContact CG1-CD1 4.03Å; V222-I335 HydrophobicContact CG2-CD1 3.72Å; V222-K353 HydrophobicContact CG2-CG 4.01Å; V222-I355 HydrophobicContact CB-CD1 4.37Å; V222-I355 HydrophobicContact CG1-CD1 3.91Å
223	C	84	Confident	80.4	Confident	30 Å²	30	53.3 Å²	53.3	20%	0.203	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.3	172.4	65.2	0	0	0	0	110.8	L232 D233 E360 C362	C223-L232 WeakPolarHBondContact O-CA 3.37Å; C223-D233 PolarHBondContact N-O 3Å; C223-D233 PolarHBondContact O-N 3.5Å; C223-E360 CarbonylContact C-O 3.14Å; C223-E360 VanDerWaalsContact CA-O 3.31Å; C223-E360 WeakPolarHBondContact CA-O 3.45Å; C223-E360 WeakPolarHBondContact CB-O 3.43Å; C223-C362 HydrophobicContact CB-CB 3.93Å; C223-C362 WeakPolarHBondContact CB-SG 3.25Å; C223-C362 PolarHBondContact O-SG 3.39Å; C223-C362 WeakPolarHBondContact SG-CA 3.4Å; C223-C362 WeakPolarHBondContact SG-CB 3.46Å; C223-C362 CovalentContact SG-SG 2.04Å; C223-C362 PolarHBondContact SG-SG 3.11Å
224	L	86.9	Confident	80.7	Confident	18 Å²	18	50.9 Å²	50.9	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.5	176.6	-178	71.8	0	0	0	109.6	Q226 T228 L232 I359 E360 L361 C362	L224-Q226 PolarHBondContact O-N 3.33Å; L224-T228 WeakPolarHBondContact CG-O 3.5Å; L224-L232 HydrophobicContact CB-CD2 4.26Å; L224-L232 HydrophobicContact CD1-CD2 3.8Å; L224-I359 HydrophobicContact CB-CB 4.37Å; L224-I359 HydrophobicContact CB-CG2 3.93Å; L224-E360 PolarHBondContact N-O 3.38Å; L224-L361 HydrophobicContact CB-CD2 4.29Å; L224-L361 HydrophobicContact CD2-CD2 4.01Å; L224-L361 HydrophobicContact CG-CD2 4.27Å; L224-L361 CarbonylContact O-C 3.58Å; L224-L361 WeakPolarHBondContact O-CA 3.48Å; L224-C362 PolarHBondContact O-N 2.86Å; L224-C362 PolarHBondContact O-SG 3.4Å
225	V	83.8	Confident	80.8	Confident	21 Å²	21	50.2 Å²	50.2	13%	0.127	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	131.7	-176.7	179.2	0	0	0	0	109.7	T228 T231 D233	V225-T228 WeakPolarHBondContact CB-OG1 3.36Å; V225-T228 HydrophobicContact CG1-CG2 4.44Å; V225-T228 PolarHBondContact O-N 3.44Å; V225-T228 VanDerWaalsContact O-N 3.08Å; V225-T228 VanDerWaalsContact O-O 3.08Å; V225-T228 PolarHBondContact O-OG1 3.01Å; V225-T231 VanDerWaalsContact CB-OG1 3.3Å; V225-T231 WeakPolarHBondContact CB-OG1 3.43Å; V225-T231 WeakPolarHBondContact CG2-OG1 3.42Å; V225-T231 PolarHBondContact N-O 2.89Å; V225-D233 HydrophobicContact CG2-CB 4.35Å
226	Q	76.3	Confident	81.3	Confident	82 Å²	82	49.1 Å²	49.1	38%	0.383	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	141.1	179	-73.5	175.1	-11.8	0	0	111.6	L224 T228 L361 C362	L224-Q226 PolarHBondContact O-N 3.33Å; Q226-T228 PolarHBondContact O-N 3.48Å; Q226-L361 HydrophobicContact CG-CB 4.4Å; Q226-C362 VanDerWaalsContact CG-O 3.32Å; Q226-C362 WeakPolarHBondContact CG-O 3.18Å; Q226-C362 PolarHBondContact NE2-O 2.95Å
227	N	74.9	Confident	82	Confident	170 Å²	170	41.6 Å²	41.6	91%	0.909	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	16.4	-177.2	-51.2	-18	0	0	0	114.6
228	T	79.1	Confident	82.7	Confident	35 Å²	35	39 Å²	39	22%	0.215	22%	0.224	C	C	.	.			trans	-130	131.1	170.8	72.2	0	0	0	0	109.3	L224 V225 Q226 D230 T231	L224-T228 WeakPolarHBondContact CG-O 3.5Å; V225-T228 WeakPolarHBondContact CB-OG1 3.36Å; V225-T228 HydrophobicContact CG1-CG2 4.44Å; V225-T228 PolarHBondContact O-N 3.44Å; V225-T228 VanDerWaalsContact O-N 3.08Å; V225-T228 VanDerWaalsContact O-O 3.08Å; V225-T228 PolarHBondContact O-OG1 3.01Å; Q226-T228 PolarHBondContact O-N 3.48Å; T228-D230 VanDerWaalsContact C-N 3.32Å; T228-T231 WeakPolarHBondContact CB-OG1 3.34Å; T228-T231 HydrophobicContact CG2-CG2 4.26Å; T228-T231 PolarHBondContact OG1-OG1 2.83Å
229	N	80	Confident	83.2	Confident	110 Å²	110	38.9 Å²	38.9	59%	0.588	22%	0.222	S	C	*	.	S	Bend	trans	-92.9	2	177.2	-64.7	0.3	0	0	0	112
230	D	86.9	Confident	82.8	Confident	41 Å²	41	36.7 Å²	36.7	22%	0.219	21%	0.206	C	C	.	.	S	Bend	trans	-137	-3.1	-169.1	66.1	-19.8	0	0	0	113.8	T228 K313 L314	T228-D230 VanDerWaalsContact C-N 3.32Å; D230-K313 WeakPolarHBondContact OD2-CE 3.49Å; D230-K313 IonicContact OD2-NZ 3.57Å; D230-L314 WeakPolarHBondContact O-CB 3.26Å; D230-L314 VanDerWaalsContact O-CG 3.32Å; D230-L314 WeakPolarHBondContact O-CG 3.22Å; D230-L314 PolarHBondContact O-N 3.18Å
231	T	90.3	Very high	81.7	Confident	20 Å²	20	37.7 Å²	37.7	12%	0.123	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.3	-179.6	81.3	0	0	0	0	113.5	V225 T228 I312 K313	V225-T231 VanDerWaalsContact CB-OG1 3.3Å; V225-T231 WeakPolarHBondContact CB-OG1 3.43Å; V225-T231 WeakPolarHBondContact CG2-OG1 3.42Å; V225-T231 PolarHBondContact N-O 2.89Å; T228-T231 WeakPolarHBondContact CB-OG1 3.34Å; T228-T231 HydrophobicContact CG2-CG2 4.26Å; T228-T231 PolarHBondContact OG1-OG1 2.83Å; T231-I312 CarbonylContact C-O 3.09Å; T231-I312 WeakPolarHBondContact CA-O 3.18Å; T231-K313 HydrophobicContact CG2-CB 4.06Å; T231-K313 HydrophobicContact CG2-CG 4.04Å
232	L	89.6	Confident	80.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.4	179.2	-58.6	-179	0	0	0	110.6	V222 C223 L224 I234 I252 R311 I312 L314 I322 I359	V222-L232 HydrophobicContact CG1-CB 4.45Å; V222-L232 HydrophobicContact CG1-CD1 4.16Å; V222-L232 HydrophobicContact CG1-CD2 4.43Å; C223-L232 WeakPolarHBondContact O-CA 3.37Å; L224-L232 HydrophobicContact CB-CD2 4.26Å; L224-L232 HydrophobicContact CD1-CD2 3.8Å; L232-I234 HydrophobicContact CB-CD1 4.43Å; L232-I234 HydrophobicContact CB-CG1 4.14Å; L232-I252 HydrophobicContact CD1-CD1 4.39Å; L232-R311 WeakPolarHBondContact O-CA 3.21Å; L232-I312 PolarHBondContact N-O 3.13Å; L232-I312 PolarHBondContact O-N 3.47Å; L232-L314 HydrophobicContact CD1-CD1 3.92Å; L232-L314 HydrophobicContact CD1-CD2 4.15Å; L232-L314 HydrophobicContact CD1-CG 4.35Å; L232-L314 HydrophobicContact CG-CD1 3.96Å; L232-L314 HydrophobicContact CG-CG 4.37Å; L232-I322 HydrophobicContact CD1-CD1 4.13Å; L232-I322 HydrophobicContact CD2-CD1 4.2Å; L232-I322 HydrophobicContact CG-CD1 4.48Å; L232-I359 HydrophobicContact CD2-CD1 3.88Å; L232-I359 HydrophobicContact CD2-CG2 4.42Å
233	D	86.8	Confident	79.2	Confident	13 Å²	13	40.6 Å²	40.6	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120	160.2	-88.3	-0.1	0	0	0	108.1	V222 C223 V225 R311 R474	V222-D233 WeakPolarHBondContact CA-O 3.46Å; C223-D233 PolarHBondContact N-O 3Å; C223-D233 PolarHBondContact O-N 3.5Å; V225-D233 HydrophobicContact CG2-CB 4.35Å; D233-R311 WeakPolarHBondContact OD1-CB 3.48Å; D233-R311 WeakPolarHBondContact OD1-CG 3.39Å; D233-R311 IonicContact OD1-CZ 3.27Å; D233-R311 IonicContact OD1-NE 3.69Å; D233-R311 PolarHBondContact OD1-NE 2.94Å; D233-R311 IonicContact OD1-NH2 3.73Å; D233-R311 PolarHBondContact OD1-NH2 2.96Å; D233-R311 IonicContact OD2-CZ 3.59Å; D233-R311 IonicContact OD2-NE 2.72Å; D233-R311 IonicContact OD2-NH2 2.73Å; D233-R311 PolarHBondContact OD2-NH2 3.12Å; D233-R474 IonicContact OD2-NH1 3.13Å; D233-R474 IonicContact OD2-NH2 2.77Å; D233-R474 PolarHBondContact OD2-NH2 2.62Å
234	I	88.5	Confident	78.5	Confident	2 Å²	2	40 Å²	40	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.1	179.7	-55.3	176.7	0	0	0	107.6	I220 S221 V222 L232 W236 V250 I252 M309 I310 I312 I335 I337	I220-I234 HydrophobicContact CG2-CG2 3.83Å; S221-I234 WeakPolarHBondContact O-CA 3.31Å; V222-I234 HydrophobicContact CG1-CG1 4.16Å; V222-I234 HydrophobicContact CG2-CG1 4.29Å; V222-I234 HydrophobicContact CG2-CG2 4.25Å; L232-I234 HydrophobicContact CB-CD1 4.43Å; L232-I234 HydrophobicContact CB-CG1 4.14Å; I234-W236 HydrophobicContact CB-CZ3 4.28Å; I234-W236 HydrophobicContact CG2-CE3 3.93Å; I234-W236 HydrophobicContact CG2-CZ3 3.81Å; I234-W236 WeakPolarHBondContact O-CZ3 3.49Å; I234-V250 HydrophobicContact CD1-CG1 4.09Å; I234-I252 HydrophobicContact CD1-CD1 3.66Å; I234-M309 CarbonylContact O-C 3.47Å; I234-M309 VanDerWaalsContact O-CA 3.27Å; I234-M309 WeakPolarHBondContact O-CA 3.34Å; I234-I310 HydrophobicContact CB-CG2 4.2Å; I234-I310 PolarHBondContact N-O 3.38Å; I234-I310 PolarHBondContact O-N 3.48Å; I234-I312 HydrophobicContact CD1-CD1 4.19Å; I234-I335 HydrophobicContact CD1-CD1 4.23Å; I234-I335 HydrophobicContact CD1-CG2 4.11Å; I234-I335 HydrophobicContact CG2-CG2 4.44Å; I234-I337 HydrophobicContact CG2-CD1 3.98Å
235	S	85.8	Confident	77.9	Confident	13 Å²	13	45.7 Å²	45.7	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.8	175.1	73.9	0	0	0	0	112	S221 S308 H367	S221-S235 PolarHBondContact N-O 2.94Å; S221-S235 PolarHBondContact O-N 3.48Å; S221-S235 PolarHBondContact OG-O 3.13Å; S221-S235 PolarHBondContact OG-OG 3.01Å; S235-S308 WeakPolarHBondContact CA-O 3.25Å; S235-H367 PolarHBondContact OG-CE1 2.74Å; S235-H367 PolarHBondContact OG-NE2 3.23Å
236	W	84.5	Confident	77.9	Confident	13 Å²	13	45.6 Å²	45.6	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.8	-176.7	53.9	97.9	0	0	0	109.6	I234 Y248 V250 K307 S308 I310 I337 Y350	I234-W236 HydrophobicContact CB-CZ3 4.28Å; I234-W236 HydrophobicContact CG2-CE3 3.93Å; I234-W236 HydrophobicContact CG2-CZ3 3.81Å; I234-W236 WeakPolarHBondContact O-CZ3 3.49Å; W236-Y248 AromaticContact CE2-CG 3.89Å; W236-Y248 VanDerWaalsContact CZ2-CB 3.41Å; W236-Y248 HydrophobicContact CZ2-CD1 4.29Å; W236-Y248 HydrophobicContact CZ2-CD2 4.2Å; W236-Y248 AromaticContact CZ2-CG 3.72Å; W236-Y248 HydrophobicContact CZ2-CG 3.72Å; W236-Y248 AromaticContact NE1-CD1 3.18Å; W236-Y248 AromaticContact NE1-CD2 3.99Å; W236-Y248 AromaticContact NE1-CE1 3.52Å; W236-Y248 AromaticContact NE1-CG 3.45Å; W236-V250 HydrophobicContact CH2-CG2 3.56Å; W236-V250 HydrophobicContact CZ2-CG2 4.37Å; W236-V250 HydrophobicContact CZ3-CG2 3.79Å; W236-K307 WeakPolarHBondContact CZ2-O 3.44Å; W236-S308 VanDerWaalsContact CE2-CA 3.5Å; W236-S308 PolarHBondContact N-O 2.84Å; W236-S308 VanDerWaalsContact O-CB 3.25Å; W236-S308 WeakPolarHBondContact O-CB 3.22Å; W236-S308 VanDerWaalsContact O-O 3.11Å; W236-S308 PolarHBondContact O-OG 2.91Å; W236-I310 HydrophobicContact CH2-CB 4.11Å; W236-I310 HydrophobicContact CH2-CG2 3.79Å; W236-I310 HydrophobicContact CZ3-CB 4.49Å; W236-I310 HydrophobicContact CZ3-CG2 3.85Å; W236-I337 HydrophobicContact CB-CD1 4.45Å; W236-I337 HydrophobicContact CD2-CD1 3.69Å; W236-I337 HydrophobicContact CD2-CG2 4.07Å; W236-I337 HydrophobicContact CE3-CD1 3.31Å; W236-I337 HydrophobicContact CG-CD1 4.19Å; W236-I337 HydrophobicContact CG-CG2 4.46Å; W236-I337 HydrophobicContact CZ2-CG2 4.2Å; W236-I337 HydrophobicContact CZ3-CD1 3.78Å; W236-Y350 AromaticContact CD1-CZ 3.64Å
237	K	80.1	Confident	78.5	Confident	34 Å²	34	43.7 Å²	43.7	15%	0.148	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-74.4	133.5	171.1	-166	172	-173.5	178.1	0	109.4	D215 Y350 Y378 Y379	D215-K237 HydrophobicContact CB-CD 4.06Å; D215-K237 WeakPolarHBondContact OD2-CE 3.42Å; D215-K237 IonicContact OD2-NZ 2.94Å; D215-K237 PolarHBondContact OD2-NZ 2.94Å; K237-Y350 WeakPolarHBondContact O-CE1 3.44Å; K237-Y350 PolarHBondContact O-OH 2.84Å; K237-Y378 VanDerWaalsContact NZ-CE2 3.29Å; K237-Y379 PolarHBondContact NZ-O 3.29Å
238	G	80.6	Confident	79.4	Confident	23 Å²	23	36.2 Å²	36.2	24%	0.237	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-66.6	170.4	176.5	0	0	0	0	0	113.7	Y248	G238-Y248 WeakPolarHBondContact CA-OH 3.47Å
239	V	80.5	Confident	80.1	Confident	9 Å²	9	34.6 Å²	34.6	6%	0.055	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-57.7	154.4	173.9	-60.5	0	0	0	0	111.7	P212 L214 H241 I246 Y248 A339	P212-V239 HydrophobicContact CB-CG1 3.85Å; L214-V239 HydrophobicContact CD2-CG1 3.97Å; V239-H241 VanDerWaalsContact C-N 3.31Å; V239-H241 WeakPolarHBondContact CG2-O 3.42Å; V239-H241 PolarHBondContact O-N 3.17Å; V239-I246 HydrophobicContact CG1-CD1 4.48Å; V239-I246 HydrophobicContact CG1-CG1 4.18Å; V239-I246 HydrophobicContact CG1-CG2 4.21Å; V239-I246 HydrophobicContact CG2-CG1 3.7Å; V239-Y248 HydrophobicContact CG1-CE1 4.13Å; V239-Y248 PolarHBondContact N-OH 3.34Å; V239-A339 HydrophobicContact CG1-CB 3.74Å
240	I	66.5	Low	80.8	Confident	50 Å²	50	29.3 Å²	29.3	26%	0.256	16%	0.157	S	C	.	.	S	Bend	trans	-66	-35.3	-176.9	-63.4	175	0	0	0	112.1	E213 L214 D215	E213-I240 HydrophobicContact CG-CD1 4.09Å; E213-I240 PolarHBondContact O-N 2.89Å; L214-I240 WeakPolarHBondContact O-CD1 3.1Å; D215-I240 HydrophobicContact CB-CG1 4.26Å
241	H	62	Low	81.1	Confident	37 Å²	37	27.4 Å²	27.4	17%	0.171	15%	0.146	C	C	.	.			trans	-113.3	111.9	-171.4	-55.1	-67.8	0	0	0	111	E213 V239 S243	E213-H241 IonicContact OE2-CD2 3.28Å; E213-H241 IonicContact OE2-NE2 3.75Å; E213-H241 PolarHBondContact OE2-NE2 3.19Å; V239-H241 VanDerWaalsContact C-N 3.31Å; V239-H241 WeakPolarHBondContact CG2-O 3.42Å; V239-H241 PolarHBondContact O-N 3.17Å; H241-S243 PolarHBondContact O-N 3.42Å
242	N	57.7	Low	81.3	Confident	99 Å²	99	26.4 Å²	26.4	53%	0.529	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	3.4	179.9	-75	-0.1	0	0	0	114.1	M244	N242-M244 VanDerWaalsContact C-N 3.29Å; N242-M244 PolarHBondContact O-N 2.84Å
243	S	59.6	Low	81.6	Confident	33 Å²	33	26.4 Å²	26.4	23%	0.231	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-27	179.3	52.1	0	0	0	0	112.8	A207 H241	A207-S243 PolarHBondContact O-OG 2.88Å; H241-S243 PolarHBondContact O-N 3.42Å
244	M	69.2	Low	81.9	Confident	18 Å²	18	26.9 Å²	26.9	9%	0.089	15%	0.146	C	C	.	.	S	Bend	trans	-81.4	144.1	179.8	-61.1	179.3	-174.7	0	0	111.7	H206 A207 P212 N242 I246	H206-M244 WeakPolarHBondContact O-CE 3.02Å; A207-M244 WeakPolarHBondContact O-CG 3.32Å; P212-M244 HydrophobicContact CB-SD 4.34Å; P212-M244 HydrophobicContact CG-SD 4.32Å; N242-M244 VanDerWaalsContact C-N 3.29Å; N242-M244 PolarHBondContact O-N 2.84Å; M244-I246 HydrophobicContact CB-CD1 3.43Å; M244-I246 VanDerWaalsContact CB-CD1 3.43Å; M244-I246 HydrophobicContact CB-CG1 3.83Å; M244-I246 HydrophobicContact CG-CD1 4.3Å; M244-I246 PolarHBondContact O-N 2.74Å; M244-I246 VanDerWaalsContact O-N 3.09Å; M244-I246 HydrophobicContact SD-CD1 3.95Å
245	Q	72.6	Confident	82.1	Confident	137 Å²	137	31.2 Å²	31.2	64%	0.64	17%	0.169	S	C	*	.			trans	-76.8	95	164.5	-67.1	-175.8	20.2	0	0	109.1	K342	Q245-K342 HydrophobicContact CB-CB 4.35Å; Q245-K342 WeakPolarHBondContact O-CB 3.36Å; Q245-K342 PolarHBondContact O-N 2.85Å
246	I	83.8	Confident	82.5	Confident	19 Å²	19	33.4 Å²	33.4	10%	0.097	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.5	-178.4	-57.4	-57	0	0	0	111.4	P212 V239 M244 Y248 A339 I340	P212-I246 HydrophobicContact CB-CD1 3.94Å; P212-I246 HydrophobicContact CG-CD1 3.65Å; V239-I246 HydrophobicContact CG1-CD1 4.48Å; V239-I246 HydrophobicContact CG1-CG1 4.18Å; V239-I246 HydrophobicContact CG1-CG2 4.21Å; V239-I246 HydrophobicContact CG2-CG1 3.7Å; M244-I246 HydrophobicContact CB-CD1 3.43Å; M244-I246 VanDerWaalsContact CB-CD1 3.43Å; M244-I246 HydrophobicContact CB-CG1 3.83Å; M244-I246 HydrophobicContact CG-CD1 4.3Å; M244-I246 PolarHBondContact O-N 2.74Å; M244-I246 VanDerWaalsContact O-N 3.09Å; M244-I246 HydrophobicContact SD-CD1 3.95Å; I246-Y248 HydrophobicContact CG2-CD1 4.12Å; I246-Y248 HydrophobicContact CG2-CD2 4.19Å; I246-Y248 HydrophobicContact CG2-CE1 3.7Å; I246-Y248 HydrophobicContact CG2-CE2 3.77Å; I246-Y248 HydrophobicContact CG2-CG 4.35Å; I246-A339 HydrophobicContact CG2-CB 4.18Å; I246-I340 WeakPolarHBondContact CA-O 3.45Å
247	N	89.7	Confident	82.9	Confident	41 Å²	41	34.7 Å²	34.7	22%	0.219	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.6	163.5	-165.4	28.6	0	0	0	108.4	C304 S305 I340	N247-C304 WeakPolarHBondContact ND2-CB 3.33Å; N247-S305 PolarHBondContact OD1-O 3.43Å; N247-S305 VanDerWaalsContact OD1-O 3.11Å; N247-I340 PolarHBondContact N-O 2.95Å; N247-I340 WeakPolarHBondContact O-CA 3.47Å; N247-I340 VanDerWaalsContact O-CB 3.29Å; N247-I340 WeakPolarHBondContact O-CB 3.4Å; N247-I340 PolarHBondContact O-N 3.17Å
248	Y	93.1	Very high	83.6	Confident	13 Å²	13	33 Å²	33	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.4	176.1	-59.2	-81.6	0	0	0	109.1	W236 G238 V239 I246 C304 S305 K307 Y338 A339 Y350	W236-Y248 AromaticContact CE2-CG 3.89Å; W236-Y248 VanDerWaalsContact CZ2-CB 3.41Å; W236-Y248 HydrophobicContact CZ2-CD1 4.29Å; W236-Y248 HydrophobicContact CZ2-CD2 4.2Å; W236-Y248 AromaticContact CZ2-CG 3.72Å; W236-Y248 HydrophobicContact CZ2-CG 3.72Å; W236-Y248 AromaticContact NE1-CD1 3.18Å; W236-Y248 AromaticContact NE1-CD2 3.99Å; W236-Y248 AromaticContact NE1-CE1 3.52Å; W236-Y248 AromaticContact NE1-CG 3.45Å; G238-Y248 WeakPolarHBondContact CA-OH 3.47Å; V239-Y248 HydrophobicContact CG1-CE1 4.13Å; V239-Y248 PolarHBondContact N-OH 3.34Å; I246-Y248 HydrophobicContact CG2-CD1 4.12Å; I246-Y248 HydrophobicContact CG2-CD2 4.19Å; I246-Y248 HydrophobicContact CG2-CE1 3.7Å; I246-Y248 HydrophobicContact CG2-CE2 3.77Å; I246-Y248 HydrophobicContact CG2-CG 4.35Å; Y248-C304 CarbonylContact O-C 3.47Å; Y248-C304 WeakPolarHBondContact O-CA 3.3Å; Y248-S305 WeakPolarHBondContact CB-O 3.14Å; Y248-S305 PolarHBondContact N-O 2.78Å; Y248-S305 PolarHBondContact O-N 3.04Å; Y248-K307 WeakPolarHBondContact CD2-O 3.26Å; Y248-Y338 CarbonylContact C-O 3.5Å; Y248-Y338 VanDerWaalsContact CA-O 3.25Å; Y248-Y338 WeakPolarHBondContact CA-O 3.28Å; Y248-A339 HydrophobicContact CD1-CB 4.01Å; Y248-A339 HydrophobicContact CE1-CB 3.85Å; Y248-Y350 HydrophobicContact CD1-CE2 4.15Å; Y248-Y350 HydrophobicContact CE1-CE2 4.13Å; Y248-Y350 WeakPolarHBondContact CE1-OH 3.39Å
249	C	94.2	Very high	84.2	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.9	173.1	-61.1	0	0	0	0	109.8	Y302 K303 C304 I337 Y338 I340	C249-Y302 HydrophobicContact CB-CE1 4.23Å; C249-Y302 HydrophobicContact CB-CE2 4.16Å; C249-Y302 WeakPolarHBondContact CB-OH 3.46Å; C249-Y302 PolarHBondContact SG-OH 2.97Å; C249-K303 WeakPolarHBondContact CA-O 3.35Å; C249-C304 HydrophobicContact CB-CB 4.15Å; C249-C304 WeakPolarHBondContact CB-SG 3.23Å; C249-C304 WeakPolarHBondContact SG-CB 3.34Å; C249-C304 CovalentContact SG-SG 2.04Å; C249-C304 PolarHBondContact SG-SG 2.74Å; C249-I337 WeakPolarHBondContact O-CA 3.29Å; C249-Y338 HydrophobicContact CB-CD2 4.5Å; C249-Y338 PolarHBondContact N-O 3.36Å; C249-Y338 PolarHBondContact O-N 3.39Å; C249-I340 HydrophobicContact CB-CD1 4Å; C249-I340 WeakPolarHBondContact SG-CD1 3.37Å
250	V	94.5	Very high	85	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.6	-179	-178.7	0	0	0	0	108.7	I234 W236 I252 Y302 K303 I310 I312 I335 N336 I337	I234-V250 HydrophobicContact CD1-CG1 4.09Å; W236-V250 HydrophobicContact CH2-CG2 3.56Å; W236-V250 HydrophobicContact CZ2-CG2 4.37Å; W236-V250 HydrophobicContact CZ3-CG2 3.79Å; V250-I252 HydrophobicContact CG1-CG1 4.16Å; V250-Y302 WeakPolarHBondContact O-CA 3.27Å; V250-K303 PolarHBondContact N-O 3.24Å; V250-K303 PolarHBondContact O-N 3.37Å; V250-I310 HydrophobicContact CB-CG2 4.38Å; V250-I310 HydrophobicContact CG2-CG2 3.77Å; V250-I312 HydrophobicContact CB-CD1 3.85Å; V250-I312 HydrophobicContact CG1-CD1 3.7Å; V250-I335 HydrophobicContact CG1-CG2 4.04Å; V250-N336 CarbonylContact C-O 3.51Å; V250-N336 WeakPolarHBondContact CA-O 3.37Å; V250-I337 HydrophobicContact CG1-CG1 4.31Å; V250-I337 HydrophobicContact CG2-CD1 4.19Å; V250-I337 HydrophobicContact CG2-CG1 4.02Å; V250-I337 HydrophobicContact CG2-CG2 4.23Å
251	V	94.4	Very high	86.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.7	177.4	-171.9	0	0	0	0	109.5	L258 A264 L268 V301 Y302 I335 N336 Y338	V251-L258 HydrophobicContact CG1-CD1 3.69Å; V251-A264 HydrophobicContact CG2-CB 4.38Å; V251-L268 HydrophobicContact CG1-CD1 3.75Å; V251-L268 HydrophobicContact CG1-CD2 4.44Å; V251-V301 CarbonylContact C-O 3.52Å; V251-V301 VanDerWaalsContact CA-O 3.26Å; V251-V301 WeakPolarHBondContact CA-O 3.46Å; V251-Y302 HydrophobicContact CG2-CD2 3.37Å; V251-Y302 HydrophobicContact CG2-CE2 3.72Å; V251-Y302 HydrophobicContact CG2-CG 4.4Å; V251-I335 WeakPolarHBondContact O-CA 3.5Å; V251-N336 HydrophobicContact CB-CB 4.39Å; V251-N336 PolarHBondContact N-O 3.41Å; V251-N336 PolarHBondContact O-N 3.1Å; V251-Y338 HydrophobicContact CG2-CD2 4.4Å; V251-Y338 HydrophobicContact CG2-CE2 3.55Å
252	I	94.8	Very high	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.5	178.6	-49.8	-176.5	0	0	0	108.8	L232 I234 V250 Y300 V301 I312 L314 L318 L333 Y334 I335	L232-I252 HydrophobicContact CD1-CD1 4.39Å; I234-I252 HydrophobicContact CD1-CD1 3.66Å; V250-I252 HydrophobicContact CG1-CG1 4.16Å; I252-Y300 CarbonylContact O-C 3.55Å; I252-Y300 WeakPolarHBondContact O-CA 3.38Å; I252-Y300 WeakPolarHBondContact O-CB 3.46Å; I252-V301 HydrophobicContact CB-CB 4.36Å; I252-V301 PolarHBondContact N-O 2.9Å; I252-V301 PolarHBondContact O-N 3.02Å; I252-I312 HydrophobicContact CD1-CB 4.39Å; I252-I312 HydrophobicContact CD1-CD1 4.04Å; I252-I312 HydrophobicContact CD1-CG2 3.91Å; I252-L314 HydrophobicContact CD1-CD2 3.85Å; I252-L314 HydrophobicContact CG2-CD2 4.08Å; I252-L318 HydrophobicContact CG2-CD1 4.25Å; I252-L333 HydrophobicContact CG2-CD1 4.07Å; I252-L333 HydrophobicContact CG2-CD2 3.46Å; I252-L333 VanDerWaalsContact CG2-CD2 3.46Å; I252-L333 HydrophobicContact CG2-CG 3.74Å; I252-Y334 WeakPolarHBondContact CA-O 3.12Å; I252-I335 HydrophobicContact CG1-CG1 4.2Å; I252-I335 HydrophobicContact CG2-CG1 4.27Å
253	N	94.4	Very high	89.7	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	170.1	174.6	80.3	92.8	0	0	0	110.6	D255 E256 I297 Y334	N253-D255 PolarHBondContact OD1-N 3.26Å; N253-E256 PolarHBondContact ND2-O 2.94Å; N253-E256 PolarHBondContact OD1-N 2.97Å; N253-E256 PolarHBondContact OD1-O 2.82Å; N253-I297 HydrophobicContact CB-CG2 4.23Å; N253-Y334 PolarHBondContact N-O 3.06Å; N253-Y334 PolarHBondContact O-N 2.84Å
254	A	93.7	Very high	91.4	Very high	22 Å²	22	22.9 Å²	22.9	18%	0.182	12%	0.116	C	C	.	.	S	Bend	trans	-111.2	-4.5	179.4	0	0	0	0	0	114.2	L318 I321 K332	A254-L318 HydrophobicContact CB-CD2 4.07Å; A254-I321 HydrophobicContact CB-CD1 3.36Å; A254-K332 WeakPolarHBondContact CA-O 3.26Å
255	D	92.8	Very high	92.6	Very high	93 Å²	93	23 Å²	23	50%	0.497	12%	0.117	S	C	.	.	S	Bend	trans	-87.3	-54.7	-172.2	-58.8	-54.4	0	0	0	111	N253 I297	N253-D255 PolarHBondContact OD1-N 3.26Å; D255-I297 HydrophobicContact CB-CD1 4.02Å; D255-I297 HydrophobicContact CB-CG1 4.11Å; D255-I297 VanDerWaalsContact OD2-CG2 3.23Å; D255-I297 WeakPolarHBondContact OD2-CG2 3.45Å
256	E	93.2	Very high	93.6	Very high	60 Å²	60	16.5 Å²	16.5	28%	0.28	9%	0.086	S	C	.	.			trans	-153.3	162.4	-173.2	73.2	-167.3	172.7	0	0	114.5	N253 L258 R267 I297 Y334	N253-E256 PolarHBondContact ND2-O 2.94Å; N253-E256 PolarHBondContact OD1-N 2.97Å; N253-E256 PolarHBondContact OD1-O 2.82Å; E256-L258 HydrophobicContact CG-CD2 3.82Å; E256-L258 HydrophobicContact CG-CG 4.43Å; E256-L258 PolarHBondContact O-N 2.73Å; E256-R267 VanDerWaalsContact OE1-CB 3.31Å; E256-R267 WeakPolarHBondContact OE1-CB 3.48Å; E256-R267 WeakPolarHBondContact OE1-CD 3.25Å; E256-R267 WeakPolarHBondContact OE1-CG 2.98Å; E256-R267 IonicContact OE1-CZ 2.7Å; E256-R267 IonicContact OE1-NE 3.84Å; E256-R267 PolarHBondContact OE1-NE 3.27Å; E256-R267 IonicContact OE1-NH2 3.84Å; E256-R267 IonicContact OE2-NE 2.93Å; E256-I297 HydrophobicContact CG-CD1 3.9Å; E256-Y334 VanDerWaalsContact C-CD2 3.48Å; E256-Y334 WeakPolarHBondContact O-CD2 3.11Å
257	N	94.2	Very high	94.1	Very high	39 Å²	39	16.6 Å²	16.6	21%	0.209	9%	0.086	C	C	.	.			trans	-75.6	112.5	173	176.4	15.4	0	0	0	110.6	Y259 Y334 N336	N257-Y259 WeakPolarHBondContact O-CD1 3.32Å; N257-Y259 PolarHBondContact O-N 3.36Å; N257-Y259 VanDerWaalsContact O-N 3.16Å; N257-Y334 HydrophobicContact CB-CD1 3.92Å; N257-Y334 HydrophobicContact CB-CE1 4.19Å; N257-N336 PolarHBondContact OD1-ND2 3.37Å
258	L	95.1	Very high	94.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.			trans	-90.2	75.6	177.2	-59.6	174	0	0	0	109.5	V251 E256 Y260 T263 A264 R267 L268 I297 N336 Y338	V251-L258 HydrophobicContact CG1-CD1 3.69Å; E256-L258 HydrophobicContact CG-CD2 3.82Å; E256-L258 HydrophobicContact CG-CG 4.43Å; E256-L258 PolarHBondContact O-N 2.73Å; L258-Y260 PolarHBondContact O-N 3.11Å; L258-T263 HydrophobicContact CB-CG2 4.4Å; L258-T263 HydrophobicContact CD2-CG2 3.85Å; L258-A264 HydrophobicContact CB-CB 4.28Å; L258-A264 HydrophobicContact CD1-CB 4.19Å; L258-R267 HydrophobicContact CD2-CB 3.7Å; L258-R267 HydrophobicContact CD2-CG 4.08Å; L258-L268 HydrophobicContact CD1-CD1 4.24Å; L258-L268 HydrophobicContact CD1-CD2 3.51Å; L258-L268 HydrophobicContact CD1-CG 3.86Å; L258-I297 HydrophobicContact CD1-CD1 4.49Å; L258-I297 HydrophobicContact CD2-CD1 4.27Å; L258-N336 PolarHBondContact N-OD1 2.78Å; L258-N336 VanDerWaalsContact N-OD1 3.12Å; L258-N336 WeakPolarHBondContact O-CB 3.31Å; L258-N336 PolarHBondContact O-ND2 2.83Å; L258-Y338 WeakPolarHBondContact CB-OH 3.41Å; L258-Y338 WeakPolarHBondContact O-CE1 3.38Å; L258-Y338 PolarHBondContact O-OH 2.84Å
259	Y	93.3	Very high	94.2	Very high	12 Å²	12	16.7 Å²	16.7	5%	0.047	9%	0.087	C	C	.	.			trans	-65.2	-34.6	-164.5	50.1	-91.8	0	0	0	114.7	P94 C95 T96 F144 R167 N257 T263 S349	P94-Y259 WeakPolarHBondContact O-CE2 3.06Å; C95-Y259 PolarHBondContact O-OH 3.33Å; T96-Y259 PolarHBondContact N-OH 3.2Å; F144-Y259 HydrophobicContact CE2-CD1 4.26Å; F144-Y259 AromaticContact CE2-CD2 3.64Å; F144-Y259 HydrophobicContact CE2-CD2 3.64Å; F144-Y259 HydrophobicContact CE2-CE2 4.22Å; F144-Y259 AromaticContact CE2-CG 3.67Å; F144-Y259 HydrophobicContact CE2-CG 3.67Å; F144-Y259 HydrophobicContact CZ-CD1 4.05Å; F144-Y259 HydrophobicContact CZ-CD2 4.16Å; F144-Y259 AromaticContact CZ-CG 3.69Å; F144-Y259 HydrophobicContact CZ-CG 3.69Å; R167-Y259 HydrophobicContact CB-CE2 4.44Å; N257-Y259 WeakPolarHBondContact O-CD1 3.32Å; N257-Y259 PolarHBondContact O-N 3.36Å; N257-Y259 VanDerWaalsContact O-N 3.16Å; Y259-T263 HydrophobicContact CD1-CG2 4.05Å; Y259-T263 HydrophobicContact CE1-CG2 3.75Å; Y259-T263 VanDerWaalsContact CE2-OG1 3.27Å; Y259-T263 WeakPolarHBondContact CE2-OG1 3.14Å; Y259-S349 WeakPolarHBondContact O-CB 3.28Å; Y259-S349 PolarHBondContact O-OG 3.14Å
260	Y	95.4	Very high	93.6	Very high	5 Å²	5	19 Å²	19	2%	0.02	10%	0.098	C	C	.	.	S	Bend	trans	-113.9	158.4	169.5	-64.2	-60.3	0	0	0	112.1	T93 P94 P145 R167 R169 L258 C262 T263 A264 Y338 S349	T93-Y260 HydrophobicContact CG2-CD1 4.05Å; T93-Y260 HydrophobicContact CG2-CD2 3.26Å; T93-Y260 HydrophobicContact CG2-CE1 4.28Å; T93-Y260 HydrophobicContact CG2-CE2 3.55Å; T93-Y260 HydrophobicContact CG2-CG 3.58Å; P94-Y260 WeakPolarHBondContact O-CD2 3.37Å; P145-Y260 HydrophobicContact CG-CD1 4.37Å; P145-Y260 HydrophobicContact CG-CE1 3.76Å; R167-Y260 WeakPolarHBondContact O-CE2 2.98Å; R169-Y260 PolarHBondContact N-OH 3.42Å; L258-Y260 PolarHBondContact O-N 3.11Å; Y260-C262 PolarHBondContact O-N 3.03Å; Y260-T263 PolarHBondContact N-OG1 2.95Å; Y260-T263 WeakPolarHBondContact O-CA 3.36Å; Y260-T263 WeakPolarHBondContact O-CB 3.19Å; Y260-T263 PolarHBondContact O-N 2.94Å; Y260-T263 PolarHBondContact O-OG1 2.98Å; Y260-A264 PolarHBondContact O-N 2.72Å; Y260-A264 VanDerWaalsContact O-N 3.11Å; Y260-Y338 VanDerWaalsContact C-CE1 3.44Å; Y260-Y338 PolarHBondContact O-OH 3.33Å; Y260-S349 WeakPolarHBondContact CA-OG 3.39Å; Y260-S349 WeakPolarHBondContact CD1-OG 3.37Å
261	K	95.2	Very high	92.3	Very high	14 Å²	14	22.7 Å²	22.7	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-53.8	-38.2	172	-172.9	-167.1	178.5	-156	0	111.4	T263 A264 M265 Y338 I340 D345 S347	K261-T263 VanDerWaalsContact C-N 3.33Å; K261-T263 PolarHBondContact O-N 2.74Å; K261-A264 WeakPolarHBondContact O-CB 3.19Å; K261-A264 PolarHBondContact O-N 2.9Å; K261-M265 HydrophobicContact CD-CE 4.15Å; K261-M265 VanDerWaalsContact CE-CE 3.42Å; K261-M265 HydrophobicContact CG-CE 4.28Å; K261-M265 HydrophobicContact CG-SD 4.41Å; K261-M265 WeakPolarHBondContact O-CG 3.35Å; K261-M265 PolarHBondContact O-N 3.4Å; K261-Y338 HydrophobicContact CB-CD1 4.32Å; K261-Y338 HydrophobicContact CB-CD2 3.85Å; K261-Y338 HydrophobicContact CB-CE2 4.21Å; K261-Y338 HydrophobicContact CB-CG 3.9Å; K261-Y338 HydrophobicContact CG-CD2 4.05Å; K261-Y338 HydrophobicContact CG-CE2 4.47Å; K261-Y338 HydrophobicContact CG-CG 4.49Å; K261-I340 HydrophobicContact CD-CD1 3.9Å; K261-I340 HydrophobicContact CD-CG1 4.23Å; K261-D345 IonicContact NZ-OD1 3.83Å; K261-D345 PolarHBondContact NZ-OD1 2.84Å; K261-D345 IonicContact NZ-OD2 3.45Å; K261-S347 WeakPolarHBondContact CB-OG 3.46Å
262	C	95.4	Very high	90.7	Very high	3 Å²	3	29 Å²	29	2%	0.02	15%	0.145	C	C	.	.	H	α-helix	trans	-69.3	-29.5	177.2	70.6	0	0	0	0	113.1	C95 N195 Y260 M265 S266	C95-C262 HydrophobicContact CB-CB 3.87Å; C95-C262 WeakPolarHBondContact CB-SG 2.81Å; C95-C262 WeakPolarHBondContact SG-CB 3.46Å; C95-C262 CovalentContact SG-SG 2.03Å; C95-C262 PolarHBondContact SG-SG 2.84Å; N195-C262 HydrophobicContact CB-CB 4.37Å; N195-C262 VanDerWaalsContact CG-CB 3.49Å; N195-C262 WeakPolarHBondContact ND2-CB 3.47Å; N195-C262 WeakPolarHBondContact OD1-CB 3.37Å; Y260-C262 PolarHBondContact O-N 3.03Å; C262-M265 PolarHBondContact O-N 3.08Å; C262-S266 WeakPolarHBondContact O-CB 3.24Å; C262-S266 PolarHBondContact O-N 2.84Å; C262-S266 PolarHBondContact O-OG 3.23Å
263	T	95.7	Very high	88.8	Confident	4 Å²	4	32.4 Å²	32.4	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-44.4	168.5	-47.9	0	0	0	0	110.7	C95 L258 Y259 Y260 K261 M265 S266 R267	C95-T263 VanDerWaalsContact O-CA 3.31Å; C95-T263 WeakPolarHBondContact O-CA 3.39Å; C95-T263 WeakPolarHBondContact O-CB 3.49Å; C95-T263 WeakPolarHBondContact O-CG2 3.37Å; C95-T263 PolarHBondContact O-OG1 3.43Å; L258-T263 HydrophobicContact CB-CG2 4.4Å; L258-T263 HydrophobicContact CD2-CG2 3.85Å; Y259-T263 HydrophobicContact CD1-CG2 4.05Å; Y259-T263 HydrophobicContact CE1-CG2 3.75Å; Y259-T263 VanDerWaalsContact CE2-OG1 3.27Å; Y259-T263 WeakPolarHBondContact CE2-OG1 3.14Å; Y260-T263 PolarHBondContact N-OG1 2.95Å; Y260-T263 WeakPolarHBondContact O-CA 3.36Å; Y260-T263 WeakPolarHBondContact O-CB 3.19Å; Y260-T263 PolarHBondContact O-N 2.94Å; Y260-T263 PolarHBondContact O-OG1 2.98Å; K261-T263 VanDerWaalsContact C-N 3.33Å; K261-T263 PolarHBondContact O-N 2.74Å; T263-M265 VanDerWaalsContact C-N 3.32Å; T263-M265 PolarHBondContact O-N 2.91Å; T263-S266 WeakPolarHBondContact CA-OG 3.25Å; T263-S266 PolarHBondContact O-N 2.92Å; T263-S266 PolarHBondContact O-OG 3.23Å; T263-R267 HydrophobicContact CG2-CG 4.39Å; T263-R267 WeakPolarHBondContact O-CB 3.29Å; T263-R267 WeakPolarHBondContact O-CG 3.36Å; T263-R267 PolarHBondContact O-N 2.95Å
264	A	94.8	Very high	86.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-42.4	173.4	0	0	0	0	0	111.5	V251 L258 Y260 K261 S266 R267 L268 Y338	V251-A264 HydrophobicContact CG2-CB 4.38Å; L258-A264 HydrophobicContact CB-CB 4.28Å; L258-A264 HydrophobicContact CD1-CB 4.19Å; Y260-A264 PolarHBondContact O-N 2.72Å; Y260-A264 VanDerWaalsContact O-N 3.11Å; K261-A264 WeakPolarHBondContact O-CB 3.19Å; K261-A264 PolarHBondContact O-N 2.9Å; A264-S266 VanDerWaalsContact C-N 3.32Å; A264-S266 PolarHBondContact O-N 2.92Å; A264-R267 PolarHBondContact O-N 2.87Å; A264-L268 HydrophobicContact CB-CD1 3.89Å; A264-L268 HydrophobicContact CB-CG 4.28Å; A264-L268 VanDerWaalsContact O-CB 3.24Å; A264-L268 WeakPolarHBondContact O-CB 3Å; A264-L268 VanDerWaalsContact O-CG 3.26Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 3.19Å; A264-Y338 HydrophobicContact CB-CE2 4.1Å
265	M	93.7	Very high	84.3	Confident	20 Å²	20	51.4 Å²	51.4	10%	0.099	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-32.9	176.9	-70.3	167.1	159	0	0	113.7	K261 C262 T263 F280 R282 P283 F286	K261-M265 HydrophobicContact CD-CE 4.15Å; K261-M265 VanDerWaalsContact CE-CE 3.42Å; K261-M265 HydrophobicContact CG-CE 4.28Å; K261-M265 HydrophobicContact CG-SD 4.41Å; K261-M265 WeakPolarHBondContact O-CG 3.35Å; K261-M265 PolarHBondContact O-N 3.4Å; C262-M265 PolarHBondContact O-N 3.08Å; T263-M265 VanDerWaalsContact C-N 3.32Å; T263-M265 PolarHBondContact O-N 2.91Å; M265-F280 HydrophobicContact CG-CE2 4.37Å; M265-F280 HydrophobicContact CG-CZ 4.1Å; M265-R282 PolarHBondContact O-NE 2.85Å; M265-R282 PolarHBondContact O-NH2 3.27Å; M265-P283 HydrophobicContact SD-CG 4.3Å; M265-F286 HydrophobicContact CB-CD2 3.93Å; M265-F286 HydrophobicContact CB-CE2 3.99Å
266	S	94.5	Very high	82.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-85.7	-14.9	179.7	64.4	0	0	0	0	113.8	T96 C262 T263 A264 R293	T96-S266 VanDerWaalsContact CG2-OG 3.27Å; T96-S266 WeakPolarHBondContact CG2-OG 3.46Å; C262-S266 WeakPolarHBondContact O-CB 3.24Å; C262-S266 PolarHBondContact O-N 2.84Å; C262-S266 PolarHBondContact O-OG 3.23Å; T263-S266 WeakPolarHBondContact CA-OG 3.25Å; T263-S266 PolarHBondContact O-N 2.92Å; T263-S266 PolarHBondContact O-OG 3.23Å; A264-S266 VanDerWaalsContact C-N 3.32Å; A264-S266 PolarHBondContact O-N 2.92Å; S266-R293 PolarHBondContact O-NH1 3.36Å
267	R	94.9	Very high	80.1	Confident	22 Å²	22	53.9 Å²	53.9	8%	0.083	25%	0.25	C	S	.	.	H	α-helix	trans	-118.6	-29.3	-173.4	-63	-62.9	-59.3	126.8	7.3	115.1	E256 L258 T263 A264 P294 K295 L296 I297	E256-R267 VanDerWaalsContact OE1-CB 3.31Å; E256-R267 WeakPolarHBondContact OE1-CB 3.48Å; E256-R267 WeakPolarHBondContact OE1-CD 3.25Å; E256-R267 WeakPolarHBondContact OE1-CG 2.98Å; E256-R267 IonicContact OE1-CZ 2.7Å; E256-R267 IonicContact OE1-NE 3.84Å; E256-R267 PolarHBondContact OE1-NE 3.27Å; E256-R267 IonicContact OE1-NH2 3.84Å; E256-R267 IonicContact OE2-NE 2.93Å; L258-R267 HydrophobicContact CD2-CB 3.7Å; L258-R267 HydrophobicContact CD2-CG 4.08Å; T263-R267 HydrophobicContact CG2-CG 4.39Å; T263-R267 WeakPolarHBondContact O-CB 3.29Å; T263-R267 WeakPolarHBondContact O-CG 3.36Å; T263-R267 PolarHBondContact O-N 2.95Å; A264-R267 PolarHBondContact O-N 2.87Å; R267-P294 PolarHBondContact NH1-O 2.99Å; R267-K295 PolarHBondContact NH1-O 3.11Å; R267-K295 PolarHBondContact NH2-O 2.84Å; R267-L296 CarbonylContact O-C 3.58Å; R267-L296 VanDerWaalsContact O-CA 3.28Å; R267-L296 WeakPolarHBondContact O-CA 3.25Å; R267-L296 WeakPolarHBondContact O-CD2 3.15Å; R267-I297 HydrophobicContact CB-CD1 4.3Å; R267-I297 PolarHBondContact O-N 3.07Å
268	L	93.4	Very high	78.3	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-81.1	139	178.2	-60.7	-178.9	0	0	0	111	V251 L258 A264 F280 R282 I297 Y300 Y302	V251-L268 HydrophobicContact CG1-CD1 3.75Å; V251-L268 HydrophobicContact CG1-CD2 4.44Å; L258-L268 HydrophobicContact CD1-CD1 4.24Å; L258-L268 HydrophobicContact CD1-CD2 3.51Å; L258-L268 HydrophobicContact CD1-CG 3.86Å; A264-L268 HydrophobicContact CB-CD1 3.89Å; A264-L268 HydrophobicContact CB-CG 4.28Å; A264-L268 VanDerWaalsContact O-CB 3.24Å; A264-L268 WeakPolarHBondContact O-CB 3Å; A264-L268 VanDerWaalsContact O-CG 3.26Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 3.19Å; L268-F280 HydrophobicContact CB-CD1 4.44Å; L268-F280 HydrophobicContact CB-CE1 3.67Å; L268-F280 HydrophobicContact CB-CZ 4.07Å; L268-F280 HydrophobicContact CD1-CE1 4.2Å; L268-F280 HydrophobicContact CD1-CE2 4.37Å; L268-F280 HydrophobicContact CD1-CZ 3.93Å; L268-F280 HydrophobicContact CG-CZ 4.5Å; L268-R282 VanDerWaalsContact O-CD 3.23Å; L268-R282 WeakPolarHBondContact O-CD 3.35Å; L268-R282 PolarHBondContact O-NE 3.16Å; L268-R282 VanDerWaalsContact O-NE 3.07Å; L268-I297 HydrophobicContact CD2-CB 3.91Å; L268-I297 HydrophobicContact CD2-CD1 4.28Å; L268-I297 HydrophobicContact CD2-CG2 3.96Å; L268-Y300 HydrophobicContact CB-CD1 4.29Å; L268-Y300 HydrophobicContact CB-CE1 3.95Å; L268-Y300 HydrophobicContact CB-CE2 4.44Å; L268-Y300 HydrophobicContact CD1-CD2 3.81Å; L268-Y300 HydrophobicContact CD1-CE2 3.88Å; L268-Y300 HydrophobicContact CD1-CG 4.22Å; L268-Y300 HydrophobicContact CD2-CD1 3.72Å; L268-Y300 HydrophobicContact CD2-CD2 4.07Å; L268-Y300 HydrophobicContact CD2-CE1 4.25Å; L268-Y300 HydrophobicContact CD2-CG 3.6Å; L268-Y300 HydrophobicContact CG-CD1 4.43Å; L268-Y300 HydrophobicContact CG-CD2 4.41Å; L268-Y300 HydrophobicContact CG-CG 4.36Å; L268-Y302 HydrophobicContact CD1-CD2 4.28Å
269	N	89.6	Confident	76.8	Confident	55 Å²	55	60.9 Å²	60.9	29%	0.294	28%	0.28	S	S	.	.			trans	-70.7	148.3	171.8	-165.5	1.7	0	0	0	110.8	L271 L296 I297 D298 Y300	N269-L271 PolarHBondContact O-N 3.24Å; N269-L296 HydrophobicContact CB-CB 3.98Å; N269-L296 HydrophobicContact CB-CD1 4.24Å; N269-I297 PolarHBondContact N-O 3.42Å; N269-D298 WeakPolarHBondContact CB-OD1 3.43Å; N269-D298 PolarHBondContact ND2-OD1 3.07Å; N269-Y300 WeakPolarHBondContact O-CE1 3.33Å; N269-Y300 VanDerWaalsContact O-CZ 3.29Å; N269-Y300 PolarHBondContact O-OH 2.66Å
270	Q	82.1	Confident	76.1	Confident	50 Å²	50	60.8 Å²	60.8	23%	0.234	28%	0.281	C	S	.	.			trans	-77	96	178.2	-179.5	161.8	-48.7	0	0	110.2	F280	Q270-F280 WeakPolarHBondContact CG-O 3.17Å
271	L	68.7	Low	75.6	Confident	77 Å²	77	66.2 Å²	66.2	40%	0.403	31%	0.306	S	S	.	.			trans	-89.4	127.9	175.6	-67	174.9	0	0	0	110.5	N269 N273 Y300	N269-L271 PolarHBondContact O-N 3.24Å; L271-N273 PolarHBondContact O-N 2.79Å; L271-Y300 HydrophobicContact CD1-CD1 4.15Å; L271-Y300 HydrophobicContact CD1-CE1 3.5Å; L271-Y300 HydrophobicContact CD1-CE2 4.44Å; L271-Y300 HydrophobicContact CG-CE1 3.93Å; L271-Y300 PolarHBondContact N-OH 3.43Å
272	F	59.2	Low	75.3	Confident	133 Å²	133	66 Å²	66	58%	0.583	31%	0.305	S	S	*	.	B	Isolated β-bridge	trans	-85.2	105.4	168.7	-130.8	-82.9	0	0	0	108.5	Y274 K279	F272-Y274 PolarHBondContact O-N 3.11Å; F272-Y274 VanDerWaalsContact O-N 3.17Å; F272-K279 HydrophobicContact CD2-CD 4.38Å; F272-K279 HydrophobicContact CD2-CG 4.31Å; F272-K279 HydrophobicContact CE2-CD 3.69Å; F272-K279 HydrophobicContact CE2-CG 4.05Å; F272-K279 HydrophobicContact CZ-CD 4.13Å; F272-K279 HydrophobicContact CZ-CG 4.49Å
273	N	55.4	Low	75.1	Confident	71 Å²	71	66.7 Å²	66.7	38%	0.38	31%	0.309	S	S	.	.			trans	-82	94.6	173	-167.7	-15.5	0	0	0	109.6	L271 Y275 T276 N277	L271-N273 PolarHBondContact O-N 2.79Å; N273-Y275 PolarHBondContact O-N 3.42Å; N273-Y275 VanDerWaalsContact O-N 3.11Å; N273-Y275 PolarHBondContact OD1-N 2.82Å; N273-Y275 VanDerWaalsContact OD1-N 3.15Å; N273-T276 WeakPolarHBondContact CB-OG1 3.37Å; N273-T276 VanDerWaalsContact CG-OG1 3.27Å; N273-T276 PolarHBondContact ND2-OG1 3.37Å; N273-T276 PolarHBondContact O-N 3.21Å; N273-N277 PolarHBondContact O-N 3.11Å; N273-N277 VanDerWaalsContact O-N 3.16Å
274	Y	49.6	Very low	74.8	Confident	197 Å²	197	71 Å²	71	77%	0.773	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-29.6	176.9	-103.2	-87.2	0	0	0	113.2	F272	F272-Y274 PolarHBondContact O-N 3.11Å; F272-Y274 VanDerWaalsContact O-N 3.17Å
275	Y	44.1	Very low	74.7	Confident	224 Å²	224	71.1 Å²	71.1	88%	0.878	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-29.4	-173.9	-64.3	-76.6	0	0	0	114	N273	N273-Y275 PolarHBondContact O-N 3.42Å; N273-Y275 VanDerWaalsContact O-N 3.11Å; N273-Y275 PolarHBondContact OD1-N 2.82Å; N273-Y275 VanDerWaalsContact OD1-N 3.15Å
276	T	48.7	Very low	74.7	Confident	69 Å²	69	70.1 Å²	70.1	42%	0.423	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-12.4	-176.9	60	0	0	0	0	113.6	N273 E278	N273-T276 WeakPolarHBondContact CB-OG1 3.37Å; N273-T276 VanDerWaalsContact CG-OG1 3.27Å; N273-T276 PolarHBondContact ND2-OG1 3.37Å; N273-T276 PolarHBondContact O-N 3.21Å; T276-E278 PolarHBondContact O-N 2.88Å; T276-E278 WeakPolarHBondContact OG1-CB 3.4Å; T276-E278 PolarHBondContact OG1-N 2.86Å
277	N	49.6	Very low	74.6	Confident	136 Å²	136	73.5 Å²	73.5	73%	0.727	34%	0.339	S	S	*	.			trans	51.7	12.8	-166.1	-79.4	-12.3	0	0	0	113.5	N273 K279	N273-N277 PolarHBondContact O-N 3.11Å; N273-N277 VanDerWaalsContact O-N 3.16Å; N277-K279 PolarHBondContact O-N 2.83Å
278	E	55	Low	74.5	Confident	98 Å²	98	75.3 Å²	75.3	46%	0.458	35%	0.351	S	S	.	.			trans	-86.8	96.1	176.3	-67.2	-175.4	167.2	0	0	107.7	T276	T276-E278 PolarHBondContact O-N 2.88Å; T276-E278 WeakPolarHBondContact OG1-CB 3.4Å; T276-E278 PolarHBondContact OG1-N 2.86Å
279	K	63.7	Low	74.4	Confident	88 Å²	88	75.3 Å²	75.3	38%	0.383	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-80	118.4	175.9	-169	-174.4	176.3	-160.8	0	109.1	F272 N277 E281	F272-K279 HydrophobicContact CD2-CD 4.38Å; F272-K279 HydrophobicContact CD2-CG 4.31Å; F272-K279 HydrophobicContact CE2-CD 3.69Å; F272-K279 HydrophobicContact CE2-CG 4.05Å; F272-K279 HydrophobicContact CZ-CD 4.13Å; F272-K279 HydrophobicContact CZ-CG 4.49Å; N277-K279 PolarHBondContact O-N 2.83Å; K279-E281 IonicContact NZ-OE1 3.48Å; K279-E281 PolarHBondContact NZ-OE1 2.95Å; K279-E281 PolarHBondContact O-N 2.84Å
280	F	80.1	Confident	74.6	Confident	11 Å²	11	74.4 Å²	74.4	5%	0.048	35%	0.346	C	S	.	.			trans	-72.5	102.9	161.8	175.8	-107.5	0	0	0	107.9	M265 L268 Q270 R282 Y302	M265-F280 HydrophobicContact CG-CE2 4.37Å; M265-F280 HydrophobicContact CG-CZ 4.1Å; L268-F280 HydrophobicContact CB-CD1 4.44Å; L268-F280 HydrophobicContact CB-CE1 3.67Å; L268-F280 HydrophobicContact CB-CZ 4.07Å; L268-F280 HydrophobicContact CD1-CE1 4.2Å; L268-F280 HydrophobicContact CD1-CE2 4.37Å; L268-F280 HydrophobicContact CD1-CZ 3.93Å; L268-F280 HydrophobicContact CG-CZ 4.5Å; Q270-F280 WeakPolarHBondContact CG-O 3.17Å; F280-R282 HydrophobicContact CD1-CG 4.03Å; F280-R282 HydrophobicContact CE1-CG 3.53Å; F280-R282 HydrophobicContact CZ-CG 4.28Å; F280-Y302 HydrophobicContact CB-CD1 4.36Å; F280-Y302 AromaticContact CD2-CD1 3.8Å; F280-Y302 HydrophobicContact CD2-CD1 3.8Å; F280-Y302 AromaticContact CD2-CD2 3.57Å; F280-Y302 HydrophobicContact CD2-CD2 3.57Å; F280-Y302 AromaticContact CD2-CE1 3.78Å; F280-Y302 HydrophobicContact CD2-CE1 3.78Å; F280-Y302 AromaticContact CD2-CE2 3.61Å; F280-Y302 HydrophobicContact CD2-CE2 3.61Å; F280-Y302 AromaticContact CD2-CG 3.72Å; F280-Y302 HydrophobicContact CD2-CG 3.72Å; F280-Y302 AromaticContact CD2-CZ 3.7Å; F280-Y302 AromaticContact CE2-CD2 3.64Å; F280-Y302 HydrophobicContact CE2-CD2 3.64Å; F280-Y302 HydrophobicContact CE2-CE1 4.45Å; F280-Y302 AromaticContact CE2-CE2 3.48Å; F280-Y302 HydrophobicContact CE2-CE2 3.48Å; F280-Y302 VanDerWaalsContact CE2-CE2 3.48Å; F280-Y302 HydrophobicContact CE2-CG 4.27Å; F280-Y302 AromaticContact CE2-CZ 3.91Å; F280-Y302 HydrophobicContact CG-CD1 4.47Å; F280-Y302 HydrophobicContact CG-CG 4.37Å
281	E	83.4	Confident	75.2	Confident	118 Å²	118	80.3 Å²	80.3	55%	0.551	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-98.2	128.9	-177.5	-172.5	155.1	-116.5	0	0	111.1	K279	K279-E281 IonicContact NZ-OE1 3.48Å; K279-E281 PolarHBondContact NZ-OE1 2.95Å; K279-E281 PolarHBondContact O-N 2.84Å
282	R	90.2	Very high	76.4	Confident	10 Å²	10	78.8 Å²	78.8	4%	0.038	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-99.4	146.1	179.4	-60.3	169.1	68.1	-146.2	-2.4	109.5	M265 L268 F280 K284 Q287 D290	M265-R282 PolarHBondContact O-NE 2.85Å; M265-R282 PolarHBondContact O-NH2 3.27Å; L268-R282 VanDerWaalsContact O-CD 3.23Å; L268-R282 WeakPolarHBondContact O-CD 3.35Å; L268-R282 PolarHBondContact O-NE 3.16Å; L268-R282 VanDerWaalsContact O-NE 3.07Å; F280-R282 HydrophobicContact CD1-CG 4.03Å; F280-R282 HydrophobicContact CE1-CG 3.53Å; F280-R282 HydrophobicContact CZ-CG 4.28Å; R282-K284 PolarHBondContact O-N 3.27Å; R282-Q287 HydrophobicContact CB-CG 3.98Å; R282-Q287 PolarHBondContact O-NE2 3.02Å; R282-D290 IonicContact CZ-OD1 3.96Å; R282-D290 IonicContact CZ-OD2 3.2Å; R282-D290 IonicContact NH1-OD1 2.86Å; R282-D290 IonicContact NH1-OD2 2.81Å; R282-D290 PolarHBondContact NH1-OD2 3.04Å; R282-D290 VanDerWaalsContact NH2-CG 3.29Å; R282-D290 IonicContact NH2-OD1 3.84Å; R282-D290 PolarHBondContact NH2-OD1 2.75Å; R282-D290 IonicContact NH2-OD2 3.98Å; R282-D290 PolarHBondContact NH2-OD2 2.91Å; R282-D290 VanDerWaalsContact NH2-OD2 3.09Å
283	P	90.5	Very high	78	Confident	18 Å²	18	73.6 Å²	73.6	12%	0.117	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-52	136.8	169.3	-24.2	33.7	0	0	0	110.5	S66 M265 I285 F286 Q287	S66-P283 WeakPolarHBondContact OG-CB 3.49Å; S66-P283 WeakPolarHBondContact OG-CG 3.33Å; M265-P283 HydrophobicContact SD-CG 4.3Å; P283-I285 HydrophobicContact CB-CG2 4.11Å; P283-I285 PolarHBondContact O-N 3.46Å; P283-F286 HydrophobicContact CB-CB 4.47Å; P283-F286 HydrophobicContact CB-CD2 4.21Å; P283-F286 HydrophobicContact CB-CG 4.19Å; P283-F286 HydrophobicContact CG-CD2 3.8Å; P283-F286 HydrophobicContact CG-CE2 4.02Å; P283-F286 HydrophobicContact CG-CG 4.28Å; P283-F286 WeakPolarHBondContact O-CB 3.38Å; P283-F286 PolarHBondContact O-N 3.17Å; P283-Q287 PolarHBondContact O-N 3.06Å
284	K	90.2	Very high	79.7	Confident	93 Å²	93	74.6 Å²	74.6	40%	0.404	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-39.7	-177	-169.4	-172.7	-180	-172	0	111.4	Y44 R282 F286 Q287 D288	Y44-K284 HydrophobicContact CE2-CB 4.39Å; Y44-K284 HydrophobicContact CE2-CD 3.7Å; Y44-K284 PolarHBondContact OH-NZ 3.18Å; R282-K284 PolarHBondContact O-N 3.27Å; K284-F286 PolarHBondContact O-N 2.91Å; K284-Q287 WeakPolarHBondContact O-CA 3.45Å; K284-Q287 WeakPolarHBondContact O-CB 3.48Å; K284-Q287 PolarHBondContact O-N 2.86Å; K284-D288 PolarHBondContact O-N 3Å
285	I	91.9	Very high	81.8	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-58.8	-32.8	176.2	-166.1	170.1	0	0	0	112.9	R51 V68 P283 T289	R51-I285 HydrophobicContact CB-CD1 4.08Å; R51-I285 HydrophobicContact CG-CD1 4.22Å; V68-I285 HydrophobicContact CB-CG1 4.48Å; V68-I285 HydrophobicContact CG2-CD1 4.36Å; V68-I285 HydrophobicContact CG2-CG1 3.97Å; V68-I285 HydrophobicContact CG2-CG2 4.48Å; P283-I285 HydrophobicContact CB-CG2 4.11Å; P283-I285 PolarHBondContact O-N 3.46Å; I285-T289 WeakPolarHBondContact O-CB 3.29Å; I285-T289 VanDerWaalsContact O-CG2 3.26Å; I285-T289 WeakPolarHBondContact O-CG2 3.45Å; I285-T289 PolarHBondContact O-N 2.82Å; I285-T289 PolarHBondContact O-OG1 3.1Å
286	F	93.9	Very high	84.2	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-71.7	-40.5	172.9	-68.5	-4.8	0	0	0	110.8	V68 T193 M265 P283 K284 T289 D290 R293	V68-F286 HydrophobicContact CG2-CD1 3.52Å; V68-F286 HydrophobicContact CG2-CE1 3.72Å; T193-F286 HydrophobicContact CG2-CD1 4.18Å; T193-F286 HydrophobicContact CG2-CE1 3.93Å; T193-F286 HydrophobicContact CG2-CZ 4.45Å; M265-F286 HydrophobicContact CB-CD2 3.93Å; M265-F286 HydrophobicContact CB-CE2 3.99Å; P283-F286 HydrophobicContact CB-CB 4.47Å; P283-F286 HydrophobicContact CB-CD2 4.21Å; P283-F286 HydrophobicContact CB-CG 4.19Å; P283-F286 HydrophobicContact CG-CD2 3.8Å; P283-F286 HydrophobicContact CG-CE2 4.02Å; P283-F286 HydrophobicContact CG-CG 4.28Å; P283-F286 WeakPolarHBondContact O-CB 3.38Å; P283-F286 PolarHBondContact O-N 3.17Å; K284-F286 PolarHBondContact O-N 2.91Å; F286-T289 PolarHBondContact O-N 3.01Å; F286-T289 PolarHBondContact O-OG1 2.04Å; F286-D290 PolarHBondContact O-N 3.44Å; F286-R293 PolarHBondContact O-NH2 2.79Å
287	Q	92.3	Very high	86.3	Confident	70 Å²	70	60.9 Å²	60.9	33%	0.327	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-48	177.4	-60.7	175.3	53	0	0	111.5	R282 P283 K284 T289 D290	R282-Q287 HydrophobicContact CB-CG 3.98Å; R282-Q287 PolarHBondContact O-NE2 3.02Å; P283-Q287 PolarHBondContact O-N 3.06Å; K284-Q287 WeakPolarHBondContact O-CA 3.45Å; K284-Q287 WeakPolarHBondContact O-CB 3.48Å; K284-Q287 PolarHBondContact O-N 2.86Å; Q287-T289 PolarHBondContact O-N 3.43Å; Q287-T289 VanDerWaalsContact O-N 3.11Å; Q287-D290 PolarHBondContact O-N 3.02Å
288	D	92.2	Very high	88.2	Confident	61 Å²	61	57.5 Å²	57.5	33%	0.326	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-23.3	-178.1	-70.1	-0.3	0	0	0	112.9	R51 K284 Y291	R51-D288 IonicContact CZ-OD2 3.16Å; R51-D288 IonicContact NH1-OD2 3.4Å; R51-D288 PolarHBondContact NH1-OD2 2.75Å; R51-D288 IonicContact NH2-OD2 3.64Å; K284-D288 PolarHBondContact O-N 3Å; D288-Y291 WeakPolarHBondContact O-CE1 2.99Å
289	T	93.2	Very high	89.8	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	16.5	-173.7	62.2	0	0	0	0	113.3	V68 E70 I285 F286 Q287 Y291 L292 R293	V68-T289 HydrophobicContact CB-CG2 4.43Å; V68-T289 HydrophobicContact CG1-CG2 4.27Å; E70-T289 HydrophobicContact CG-CG2 3.57Å; E70-T289 WeakPolarHBondContact OE2-CG2 2.98Å; I285-T289 WeakPolarHBondContact O-CB 3.29Å; I285-T289 VanDerWaalsContact O-CG2 3.26Å; I285-T289 WeakPolarHBondContact O-CG2 3.45Å; I285-T289 PolarHBondContact O-N 2.82Å; I285-T289 PolarHBondContact O-OG1 3.1Å; F286-T289 PolarHBondContact O-N 3.01Å; F286-T289 PolarHBondContact O-OG1 2.04Å; Q287-T289 PolarHBondContact O-N 3.43Å; Q287-T289 VanDerWaalsContact O-N 3.11Å; T289-Y291 PolarHBondContact O-N 3.27Å; T289-L292 WeakPolarHBondContact O-CB 3.2Å; T289-L292 PolarHBondContact O-N 2.89Å; T289-L292 VanDerWaalsContact O-N 3.09Å; T289-R293 VanDerWaalsContact C-NH2 3.27Å; T289-R293 PolarHBondContact O-NH2 3.31Å; T289-R293 PolarHBondContact OG1-NH2 2.88Å
290	D	93.3	Very high	91.2	Very high	35 Å²	35	52.4 Å²	52.4	19%	0.187	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.6	-177.2	-83	-27.4	0	0	0	113.3	R282 F286 Q287 L292 R293 L296	R282-D290 IonicContact CZ-OD1 3.96Å; R282-D290 IonicContact CZ-OD2 3.2Å; R282-D290 IonicContact NH1-OD1 2.86Å; R282-D290 IonicContact NH1-OD2 2.81Å; R282-D290 PolarHBondContact NH1-OD2 3.04Å; R282-D290 VanDerWaalsContact NH2-CG 3.29Å; R282-D290 IonicContact NH2-OD1 3.84Å; R282-D290 PolarHBondContact NH2-OD1 2.75Å; R282-D290 IonicContact NH2-OD2 3.98Å; R282-D290 PolarHBondContact NH2-OD2 2.91Å; R282-D290 VanDerWaalsContact NH2-OD2 3.09Å; F286-D290 PolarHBondContact O-N 3.44Å; Q287-D290 PolarHBondContact O-N 3.02Å; D290-L292 PolarHBondContact O-N 2.79Å; D290-L292 VanDerWaalsContact O-N 3.15Å; D290-R293 PolarHBondContact O-N 2.8Å; D290-R293 VanDerWaalsContact O-N 3.09Å; D290-R293 IonicContact OD1-CZ 3.9Å; D290-R293 IonicContact OD1-NH1 3.9Å; D290-R293 PolarHBondContact OD1-NH1 3.21Å; D290-R293 IonicContact OD1-NH2 3.21Å; D290-R293 PolarHBondContact OD1-NH2 3.03Å; D290-R293 VanDerWaalsContact OD1-NH2 3.11Å; D290-L296 WeakPolarHBondContact OD2-CD1 3.32Å
291	Y	94	Very high	91.8	Very high	175 Å²	175	52.8 Å²	52.8	69%	0.686	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-63.6	-15.9	175.7	68.1	-90	0	0	0	114	D288 T289 R293	D288-Y291 WeakPolarHBondContact O-CE1 2.99Å; T289-Y291 PolarHBondContact O-N 3.27Å; Y291-R293 VanDerWaalsContact C-N 3.33Å
292	L	93.6	Very high	92.1	Very high	44 Å²	44	49.4 Å²	49.4	23%	0.23	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-86.6	-2.3	176.6	-60.1	179.7	0	0	0	113.2	E70 I190 T289 D290	E70-L292 HydrophobicContact CB-CD1 4.42Å; E70-L292 HydrophobicContact CG-CD1 4.24Å; I190-L292 HydrophobicContact CG2-CD1 4.1Å; I190-L292 HydrophobicContact CG2-CD2 3.85Å; I190-L292 HydrophobicContact CG2-CG 4.44Å; T289-L292 WeakPolarHBondContact O-CB 3.2Å; T289-L292 PolarHBondContact O-N 2.89Å; T289-L292 VanDerWaalsContact O-N 3.09Å; D290-L292 PolarHBondContact O-N 2.79Å; D290-L292 VanDerWaalsContact O-N 3.15Å
293	R	92.9	Very high	92.2	Very high	24 Å²	24	52.6 Å²	52.6	9%	0.091	25%	0.251	C	S	.	.	S	Bend	trans	-127.5	164.4	-172.3	-81.2	173.9	-82	128.2	4.1	111.3	G191 S266 F286 T289 D290 Y291	G191-R293 WeakPolarHBondContact O-CD 3.49Å; G191-R293 WeakPolarHBondContact O-CG 3.34Å; S266-R293 PolarHBondContact O-NH1 3.36Å; F286-R293 PolarHBondContact O-NH2 2.79Å; T289-R293 VanDerWaalsContact C-NH2 3.27Å; T289-R293 PolarHBondContact O-NH2 3.31Å; T289-R293 PolarHBondContact OG1-NH2 2.88Å; D290-R293 PolarHBondContact O-N 2.8Å; D290-R293 VanDerWaalsContact O-N 3.09Å; D290-R293 IonicContact OD1-CZ 3.9Å; D290-R293 IonicContact OD1-NH1 3.9Å; D290-R293 PolarHBondContact OD1-NH1 3.21Å; D290-R293 IonicContact OD1-NH2 3.21Å; D290-R293 PolarHBondContact OD1-NH2 3.03Å; D290-R293 VanDerWaalsContact OD1-NH2 3.11Å; Y291-R293 VanDerWaalsContact C-N 3.33Å
294	P	91.6	Very high	92.2	Very high	92 Å²	92	53.2 Å²	53.2	60%	0.597	26%	0.256	S	S	*	.	S	Bend	trans	-57.3	161.6	173.6	-22.3	33.1	0	0	0	111.9	R267 L296	R267-P294 PolarHBondContact NH1-O 2.99Å; P294-L296 PolarHBondContact O-N 2.6Å
295	K	93.4	Very high	92	Very high	170 Å²	170	49.8 Å²	49.8	74%	0.739	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-50.5	137.6	176.4	-172.3	-177.7	173.6	-174.6	0	111.2	R267	R267-K295 PolarHBondContact NH1-O 3.11Å; R267-K295 PolarHBondContact NH2-O 2.84Å
296	L	94.3	Very high	91.5	Very high	28 Å²	28	54.9 Å²	54.9	15%	0.147	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.3	155.9	178	-60.4	175	0	0	0	111.6	R267 N269 D290 P294	R267-L296 CarbonylContact O-C 3.58Å; R267-L296 VanDerWaalsContact O-CA 3.28Å; R267-L296 WeakPolarHBondContact O-CA 3.25Å; R267-L296 WeakPolarHBondContact O-CD2 3.15Å; N269-L296 HydrophobicContact CB-CB 3.98Å; N269-L296 HydrophobicContact CB-CD1 4.24Å; D290-L296 WeakPolarHBondContact OD2-CD1 3.32Å; P294-L296 PolarHBondContact O-N 2.6Å
297	I	92.8	Very high	90.8	Very high	5 Å²	5	61 Å²	61	3%	0.026	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-85.4	120.1	177.6	-62.1	167.3	0	0	0	108.9	N253 D255 E256 L258 R267 L268 N269 Y300	N253-I297 HydrophobicContact CB-CG2 4.23Å; D255-I297 HydrophobicContact CB-CD1 4.02Å; D255-I297 HydrophobicContact CB-CG1 4.11Å; D255-I297 VanDerWaalsContact OD2-CG2 3.23Å; D255-I297 WeakPolarHBondContact OD2-CG2 3.45Å; E256-I297 HydrophobicContact CG-CD1 3.9Å; L258-I297 HydrophobicContact CD1-CD1 4.49Å; L258-I297 HydrophobicContact CD2-CD1 4.27Å; R267-I297 HydrophobicContact CB-CD1 4.3Å; R267-I297 PolarHBondContact O-N 3.07Å; L268-I297 HydrophobicContact CD2-CB 3.91Å; L268-I297 HydrophobicContact CD2-CD1 4.28Å; L268-I297 HydrophobicContact CD2-CG2 3.96Å; N269-I297 PolarHBondContact N-O 3.42Å; I297-Y300 HydrophobicContact CG2-CD1 4.22Å; I297-Y300 VanDerWaalsContact O-CD1 3.26Å; I297-Y300 WeakPolarHBondContact O-CD1 3.43Å; I297-Y300 WeakPolarHBondContact O-CE1 3.42Å
298	D	88.8	Confident	90.4	Very high	64 Å²	64	59 Å²	59	34%	0.342	30%	0.295	S	S	.	.			trans	-94.8	-37.9	177.3	-62.8	-44.8	0	0	0	111.7	N269 Y300	N269-D298 WeakPolarHBondContact CB-OD1 3.43Å; N269-D298 PolarHBondContact ND2-OD1 3.07Å; D298-Y300 WeakPolarHBondContact O-CD1 3.32Å; D298-Y300 PolarHBondContact O-N 2.99Å; D298-Y300 VanDerWaalsContact O-N 3.13Å
299	N	90.4	Very high	89.9	Confident	67 Å²	67	58.6 Å²	58.6	36%	0.358	29%	0.292	S	S	.	.	S	Bend	trans	-89.7	78.7	-175.5	-70.9	-45.9	0	0	0	111.8	F317	N299-F317 HydrophobicContact CB-CB 4.42Å; N299-F317 HydrophobicContact CB-CD1 3.44Å; N299-F317 VanDerWaalsContact CB-CD1 3.44Å; N299-F317 HydrophobicContact CB-CE1 3.87Å; N299-F317 HydrophobicContact CB-CG 4.08Å
300	Y	92.6	Very high	89.6	Confident	12 Å²	12	59.3 Å²	59.3	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	166.5	177.8	70.5	-89.1	0	0	0	112.4	I252 L268 N269 L271 I297 D298	I252-Y300 CarbonylContact O-C 3.55Å; I252-Y300 WeakPolarHBondContact O-CA 3.38Å; I252-Y300 WeakPolarHBondContact O-CB 3.46Å; L268-Y300 HydrophobicContact CB-CD1 4.29Å; L268-Y300 HydrophobicContact CB-CE1 3.95Å; L268-Y300 HydrophobicContact CB-CE2 4.44Å; L268-Y300 HydrophobicContact CD1-CD2 3.81Å; L268-Y300 HydrophobicContact CD1-CE2 3.88Å; L268-Y300 HydrophobicContact CD1-CG 4.22Å; L268-Y300 HydrophobicContact CD2-CD1 3.72Å; L268-Y300 HydrophobicContact CD2-CD2 4.07Å; L268-Y300 HydrophobicContact CD2-CE1 4.25Å; L268-Y300 HydrophobicContact CD2-CG 3.6Å; L268-Y300 HydrophobicContact CG-CD1 4.43Å; L268-Y300 HydrophobicContact CG-CD2 4.41Å; L268-Y300 HydrophobicContact CG-CG 4.36Å; N269-Y300 WeakPolarHBondContact O-CE1 3.33Å; N269-Y300 VanDerWaalsContact O-CZ 3.29Å; N269-Y300 PolarHBondContact O-OH 2.66Å; L271-Y300 HydrophobicContact CD1-CD1 4.15Å; L271-Y300 HydrophobicContact CD1-CE1 3.5Å; L271-Y300 HydrophobicContact CD1-CE2 4.44Å; L271-Y300 HydrophobicContact CG-CE1 3.93Å; L271-Y300 PolarHBondContact N-OH 3.43Å; I297-Y300 HydrophobicContact CG2-CD1 4.22Å; I297-Y300 VanDerWaalsContact O-CD1 3.26Å; I297-Y300 WeakPolarHBondContact O-CD1 3.43Å; I297-Y300 WeakPolarHBondContact O-CE1 3.42Å; D298-Y300 WeakPolarHBondContact O-CD1 3.32Å; D298-Y300 PolarHBondContact O-N 2.99Å; D298-Y300 VanDerWaalsContact O-N 3.13Å
301	V	91.5	Very high	89.2	Confident	19 Å²	19	64 Å²	64	12%	0.115	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.4	163.1	-177.3	0	0	0	0	109.2	V251 I252 I312 L314 T315 L318	V251-V301 CarbonylContact C-O 3.52Å; V251-V301 VanDerWaalsContact CA-O 3.26Å; V251-V301 WeakPolarHBondContact CA-O 3.46Å; I252-V301 HydrophobicContact CB-CB 4.36Å; I252-V301 PolarHBondContact N-O 2.9Å; I252-V301 PolarHBondContact O-N 3.02Å; V301-I312 HydrophobicContact CB-CG2 4.13Å; V301-I312 HydrophobicContact CG1-CG2 3.5Å; V301-I312 VanDerWaalsContact CG1-CG2 3.5Å; V301-I312 HydrophobicContact CG2-CG2 4.34Å; V301-L314 HydrophobicContact CG2-CD2 4.35Å; V301-T315 HydrophobicContact CG2-CG2 4.1Å; V301-L318 HydrophobicContact CG2-CD1 4.03Å
302	Y	91.6	Very high	89	Confident	48 Å²	48	55.7 Å²	55.7	19%	0.188	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.5	171.5	-175.9	-81.8	0	0	0	108.5	C249 V250 V251 L268 F280 C304	C249-Y302 HydrophobicContact CB-CE1 4.23Å; C249-Y302 HydrophobicContact CB-CE2 4.16Å; C249-Y302 WeakPolarHBondContact CB-OH 3.46Å; C249-Y302 PolarHBondContact SG-OH 2.97Å; V250-Y302 WeakPolarHBondContact O-CA 3.27Å; V251-Y302 HydrophobicContact CG2-CD2 3.37Å; V251-Y302 HydrophobicContact CG2-CE2 3.72Å; V251-Y302 HydrophobicContact CG2-CG 4.4Å; L268-Y302 HydrophobicContact CD1-CD2 4.28Å; F280-Y302 HydrophobicContact CB-CD1 4.36Å; F280-Y302 AromaticContact CD2-CD1 3.8Å; F280-Y302 HydrophobicContact CD2-CD1 3.8Å; F280-Y302 AromaticContact CD2-CD2 3.57Å; F280-Y302 HydrophobicContact CD2-CD2 3.57Å; F280-Y302 AromaticContact CD2-CE1 3.78Å; F280-Y302 HydrophobicContact CD2-CE1 3.78Å; F280-Y302 AromaticContact CD2-CE2 3.61Å; F280-Y302 HydrophobicContact CD2-CE2 3.61Å; F280-Y302 AromaticContact CD2-CG 3.72Å; F280-Y302 HydrophobicContact CD2-CG 3.72Å; F280-Y302 AromaticContact CD2-CZ 3.7Å; F280-Y302 AromaticContact CE2-CD2 3.64Å; F280-Y302 HydrophobicContact CE2-CD2 3.64Å; F280-Y302 HydrophobicContact CE2-CE1 4.45Å; F280-Y302 AromaticContact CE2-CE2 3.48Å; F280-Y302 HydrophobicContact CE2-CE2 3.48Å; F280-Y302 VanDerWaalsContact CE2-CE2 3.48Å; F280-Y302 HydrophobicContact CE2-CG 4.27Å; F280-Y302 AromaticContact CE2-CZ 3.91Å; F280-Y302 HydrophobicContact CG-CD1 4.47Å; F280-Y302 HydrophobicContact CG-CG 4.37Å; Y302-C304 WeakPolarHBondContact CE1-SG 3.46Å
303	K	90.6	Very high	88.8	Confident	76 Å²	76	60.4 Å²	60.4	33%	0.33	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	138.2	179.8	-162.7	-178.1	176.3	174.5	0	111.3	C249 V250 I310 R311 I312	C249-K303 WeakPolarHBondContact CA-O 3.35Å; V250-K303 PolarHBondContact N-O 3.24Å; V250-K303 PolarHBondContact O-N 3.37Å; K303-I310 HydrophobicContact CB-CD1 3.81Å; K303-I310 HydrophobicContact CD-CD1 3.57Å; K303-I310 HydrophobicContact CD-CG1 4.05Å; K303-I310 HydrophobicContact CG-CD1 3.57Å; K303-R311 PolarHBondContact NZ-O 2.87Å; K303-I312 HydrophobicContact CB-CD1 4.26Å; K303-I312 HydrophobicContact CB-CG1 4.35Å; K303-I312 HydrophobicContact CD-CG1 4.05Å
304	C	90.3	Very high	88.7	Confident	31 Å²	31	59.8 Å²	59.8	21%	0.209	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	153.1	179.6	-54.8	0	0	0	0	112.7	N247 Y248 C249 Y302	N247-C304 WeakPolarHBondContact ND2-CB 3.33Å; Y248-C304 CarbonylContact O-C 3.47Å; Y248-C304 WeakPolarHBondContact O-CA 3.3Å; C249-C304 HydrophobicContact CB-CB 4.15Å; C249-C304 WeakPolarHBondContact CB-SG 3.23Å; C249-C304 WeakPolarHBondContact SG-CB 3.34Å; C249-C304 CovalentContact SG-SG 2.04Å; C249-C304 PolarHBondContact SG-SG 2.74Å; Y302-C304 WeakPolarHBondContact CE1-SG 3.46Å
305	S	86.2	Confident	88.6	Confident	22 Å²	22	57.2 Å²	57.2	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	140.7	179.6	178.6	0	0	0	0	109.8	N247 Y248 K307 M309	N247-S305 PolarHBondContact OD1-O 3.43Å; N247-S305 VanDerWaalsContact OD1-O 3.11Å; Y248-S305 WeakPolarHBondContact CB-O 3.14Å; Y248-S305 PolarHBondContact N-O 2.78Å; Y248-S305 PolarHBondContact O-N 3.04Å; S305-K307 PolarHBondContact O-N 3.43Å; S305-K307 PolarHBondContact OG-N 3.46Å; S305-K307 VanDerWaalsContact OG-N 3.11Å; S305-K307 PolarHBondContact OG-O 3.18Å; S305-M309 PolarHBondContact OG-O 2.86Å
306	T	82	Confident	88.3	Confident	110 Å²	110	53.9 Å²	53.9	68%	0.675	27%	0.273	S	S	*	.	S	Bend	trans	-77.4	-8.6	171.1	54.5	0	0	0	0	112.7
307	K	79.4	Confident	88.1	Confident	128 Å²	128	56.3 Å²	56.3	56%	0.557	28%	0.283	S	S	*	.	S	Bend	trans	-103.3	152.7	179.4	-58.8	179.9	-177.8	177.9	0	109.9	W236 Y248 S305 M309	W236-K307 WeakPolarHBondContact CZ2-O 3.44Å; Y248-K307 WeakPolarHBondContact CD2-O 3.26Å; S305-K307 PolarHBondContact O-N 3.43Å; S305-K307 PolarHBondContact OG-N 3.46Å; S305-K307 VanDerWaalsContact OG-N 3.11Å; S305-K307 PolarHBondContact OG-O 3.18Å; K307-M309 HydrophobicContact CB-CG 4.3Å; K307-M309 HydrophobicContact CD-CE 4.16Å; K307-M309 PolarHBondContact O-N 2.89Å
308	S	83.5	Confident	88	Confident	27 Å²	27	56 Å²	56	19%	0.189	28%	0.282	C	S	.	.	S	Bend	trans	-76.5	29.1	174.4	67.4	0	0	0	0	113.6	S235 W236	S235-S308 WeakPolarHBondContact CA-O 3.25Å; W236-S308 VanDerWaalsContact CE2-CA 3.5Å; W236-S308 PolarHBondContact N-O 2.84Å; W236-S308 VanDerWaalsContact O-CB 3.25Å; W236-S308 WeakPolarHBondContact O-CB 3.22Å; W236-S308 VanDerWaalsContact O-O 3.11Å; W236-S308 PolarHBondContact O-OG 2.91Å
309	M	82.1	Confident	88	Confident	54 Å²	54	54 Å²	54	27%	0.266	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	149.8	173.9	66.1	172.8	-179.2	0	0	109.6	I234 S305 K307 R474	I234-M309 CarbonylContact O-C 3.47Å; I234-M309 VanDerWaalsContact O-CA 3.27Å; I234-M309 WeakPolarHBondContact O-CA 3.34Å; S305-M309 PolarHBondContact OG-O 2.86Å; K307-M309 HydrophobicContact CB-CG 4.3Å; K307-M309 HydrophobicContact CD-CE 4.16Å; K307-M309 PolarHBondContact O-N 2.89Å; M309-R474 HydrophobicContact CE-CB 4.32Å; M309-R474 PolarHBondContact SD-NH1 3.16Å; M309-R474 VanDerWaalsContact SD-NH1 3.4Å
310	I	85.7	Confident	88	Confident	14 Å²	14	56 Å²	56	7%	0.072	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	142.4	176.8	-160.8	167.5	0	0	0	110.7	I234 W236 V250 K303 I312	I234-I310 HydrophobicContact CB-CG2 4.2Å; I234-I310 PolarHBondContact N-O 3.38Å; I234-I310 PolarHBondContact O-N 3.48Å; W236-I310 HydrophobicContact CH2-CB 4.11Å; W236-I310 HydrophobicContact CH2-CG2 3.79Å; W236-I310 HydrophobicContact CZ3-CB 4.49Å; W236-I310 HydrophobicContact CZ3-CG2 3.85Å; V250-I310 HydrophobicContact CB-CG2 4.38Å; V250-I310 HydrophobicContact CG2-CG2 3.77Å; K303-I310 HydrophobicContact CB-CD1 3.81Å; K303-I310 HydrophobicContact CD-CD1 3.57Å; K303-I310 HydrophobicContact CD-CG1 4.05Å; K303-I310 HydrophobicContact CG-CD1 3.57Å; I310-I312 HydrophobicContact CD1-CD1 4.38Å; I310-I312 HydrophobicContact CD1-CG1 4.3Å; I310-I312 HydrophobicContact CG1-CG1 4.14Å; I310-I312 HydrophobicContact CG2-CD1 3.71Å; I310-I312 HydrophobicContact CG2-CG1 3.91Å
311	R	86.6	Confident	87.7	Confident	133 Å²	133	56.1 Å²	56.1	50%	0.502	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.4	166.9	-174.9	170.9	-66.2	-180	-5	109	L232 D233 K303	L232-R311 WeakPolarHBondContact O-CA 3.21Å; D233-R311 WeakPolarHBondContact OD1-CB 3.48Å; D233-R311 WeakPolarHBondContact OD1-CG 3.39Å; D233-R311 IonicContact OD1-CZ 3.27Å; D233-R311 IonicContact OD1-NE 3.69Å; D233-R311 PolarHBondContact OD1-NE 2.94Å; D233-R311 IonicContact OD1-NH2 3.73Å; D233-R311 PolarHBondContact OD1-NH2 2.96Å; D233-R311 IonicContact OD2-CZ 3.59Å; D233-R311 IonicContact OD2-NE 2.72Å; D233-R311 IonicContact OD2-NH2 2.73Å; D233-R311 PolarHBondContact OD2-NH2 3.12Å; K303-R311 PolarHBondContact NZ-O 2.87Å
312	I	89.4	Confident	87.5	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.2	-176.5	-70.6	177	0	0	0	109.3	T231 L232 I234 V250 I252 V301 K303 I310 L314	T231-I312 CarbonylContact C-O 3.09Å; T231-I312 WeakPolarHBondContact CA-O 3.18Å; L232-I312 PolarHBondContact N-O 3.13Å; L232-I312 PolarHBondContact O-N 3.47Å; I234-I312 HydrophobicContact CD1-CD1 4.19Å; V250-I312 HydrophobicContact CB-CD1 3.85Å; V250-I312 HydrophobicContact CG1-CD1 3.7Å; I252-I312 HydrophobicContact CD1-CB 4.39Å; I252-I312 HydrophobicContact CD1-CD1 4.04Å; I252-I312 HydrophobicContact CD1-CG2 3.91Å; V301-I312 HydrophobicContact CB-CG2 4.13Å; V301-I312 HydrophobicContact CG1-CG2 3.5Å; V301-I312 VanDerWaalsContact CG1-CG2 3.5Å; V301-I312 HydrophobicContact CG2-CG2 4.34Å; K303-I312 HydrophobicContact CB-CD1 4.26Å; K303-I312 HydrophobicContact CB-CG1 4.35Å; K303-I312 HydrophobicContact CD-CG1 4.05Å; I310-I312 HydrophobicContact CD1-CD1 4.38Å; I310-I312 HydrophobicContact CD1-CG1 4.3Å; I310-I312 HydrophobicContact CG1-CG1 4.14Å; I310-I312 HydrophobicContact CG2-CD1 3.71Å; I310-I312 HydrophobicContact CG2-CG1 3.91Å; I312-L314 HydrophobicContact CG2-CD2 4.34Å
313	K	89.7	Confident	87	Confident	144 Å²	144	57.5 Å²	57.5	63%	0.626	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.5	165.1	-174.9	176.6	-168.7	-174.2	0	108.1	D230 T231	D230-K313 WeakPolarHBondContact OD2-CE 3.49Å; D230-K313 IonicContact OD2-NZ 3.57Å; T231-K313 HydrophobicContact CG2-CB 4.06Å; T231-K313 HydrophobicContact CG2-CG 4.04Å
314	L	90.3	Very high	86.8	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.052	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-81.4	157.4	-178.5	-63.3	171.3	0	0	0	111.2	D230 L232 I252 V301 I312 L318 I322	D230-L314 WeakPolarHBondContact O-CB 3.26Å; D230-L314 VanDerWaalsContact O-CG 3.32Å; D230-L314 WeakPolarHBondContact O-CG 3.22Å; D230-L314 PolarHBondContact O-N 3.18Å; L232-L314 HydrophobicContact CD1-CD1 3.92Å; L232-L314 HydrophobicContact CD1-CD2 4.15Å; L232-L314 HydrophobicContact CD1-CG 4.35Å; L232-L314 HydrophobicContact CG-CD1 3.96Å; L232-L314 HydrophobicContact CG-CG 4.37Å; I252-L314 HydrophobicContact CD1-CD2 3.85Å; I252-L314 HydrophobicContact CG2-CD2 4.08Å; V301-L314 HydrophobicContact CG2-CD2 4.35Å; I312-L314 HydrophobicContact CG2-CD2 4.34Å; L314-L318 HydrophobicContact CB-CB 4.15Å; L314-L318 HydrophobicContact CD2-CB 4.35Å; L314-L318 HydrophobicContact CD2-CD1 4.38Å; L314-I322 HydrophobicContact CD1-CD1 3.06Å; L314-I322 HydrophobicContact CD1-CG1 4.27Å
315	T	88.8	Confident	86.4	Confident	39 Å²	39	57.2 Å²	57.2	24%	0.239	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.1	156.1	168.6	62.1	0	0	0	0	109.8	V301 F317 L318 S319	V301-T315 HydrophobicContact CG2-CG2 4.1Å; T315-F317 PolarHBondContact O-N 2.89Å; T315-L318 PolarHBondContact O-N 2.99Å; T315-L318 VanDerWaalsContact O-N 3.08Å; T315-L318 WeakPolarHBondContact OG1-CG 3.4Å; T315-L318 PolarHBondContact OG1-N 2.84Å; T315-S319 PolarHBondContact O-N 2.91Å
316	P	87.5	Confident	85.8	Confident	99 Å²	99	59.9 Å²	59.9	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-50.8	-43	177.3	-29.1	36	0	0	0	112.7	S319 Q320	P316-S319 WeakPolarHBondContact CA-OG 3.49Å; P316-S319 PolarHBondContact O-N 2.89Å; P316-S319 PolarHBondContact O-OG 3.5Å; P316-Q320 WeakPolarHBondContact O-CG 3.25Å; P316-Q320 PolarHBondContact O-N 2.84Å
317	F	89.7	Confident	85.6	Confident	79 Å²	79	59.1 Å²	59.1	35%	0.346	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-50.1	176.2	-179.3	-98.6	0	0	0	113.1	N299 T315 S319 Q320 I321	N299-F317 HydrophobicContact CB-CB 4.42Å; N299-F317 HydrophobicContact CB-CD1 3.44Å; N299-F317 VanDerWaalsContact CB-CD1 3.44Å; N299-F317 HydrophobicContact CB-CE1 3.87Å; N299-F317 HydrophobicContact CB-CG 4.08Å; T315-F317 PolarHBondContact O-N 2.89Å; F317-S319 VanDerWaalsContact C-N 3.32Å; F317-S319 PolarHBondContact O-N 2.98Å; F317-Q320 WeakPolarHBondContact O-CB 3.15Å; F317-Q320 PolarHBondContact O-N 2.94Å; F317-I321 HydrophobicContact CD1-CD1 3.92Å; F317-I321 HydrophobicContact CE1-CD1 3.4Å; F317-I321 VanDerWaalsContact CE1-CD1 3.4Å; F317-I321 HydrophobicContact CE1-CG1 4.44Å; F317-I321 HydrophobicContact CZ-CD1 3.8Å; F317-I321 PolarHBondContact O-N 2.79Å; F317-I321 VanDerWaalsContact O-N 3.11Å
318	L	91.5	Very high	85.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-33	-179.9	-66.7	175.5	0	0	0	112.1	I252 A254 V301 L314 T315 I321 I322 L333	I252-L318 HydrophobicContact CG2-CD1 4.25Å; A254-L318 HydrophobicContact CB-CD2 4.07Å; V301-L318 HydrophobicContact CG2-CD1 4.03Å; L314-L318 HydrophobicContact CB-CB 4.15Å; L314-L318 HydrophobicContact CD2-CB 4.35Å; L314-L318 HydrophobicContact CD2-CD1 4.38Å; T315-L318 PolarHBondContact O-N 2.99Å; T315-L318 VanDerWaalsContact O-N 3.08Å; T315-L318 WeakPolarHBondContact OG1-CG 3.4Å; T315-L318 PolarHBondContact OG1-N 2.84Å; L318-I321 HydrophobicContact CD2-CD1 4.45Å; L318-I321 PolarHBondContact O-N 2.88Å; L318-I322 PolarHBondContact O-N 2.53Å; L318-I322 VanDerWaalsContact O-N 3.14Å; L318-L333 HydrophobicContact CB-CD1 4.42Å; L318-L333 HydrophobicContact CD2-CD1 4.04Å
319	S	89.5	Confident	85.3	Confident	20 Å²	20	60.8 Å²	60.8	14%	0.14	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-38.5	174.2	73.5	0	0	0	0	112.2	T315 P316 F317 I322 N323	T315-S319 PolarHBondContact O-N 2.91Å; P316-S319 WeakPolarHBondContact CA-OG 3.49Å; P316-S319 PolarHBondContact O-N 2.89Å; P316-S319 PolarHBondContact O-OG 3.5Å; F317-S319 VanDerWaalsContact C-N 3.32Å; F317-S319 PolarHBondContact O-N 2.98Å; S319-I322 PolarHBondContact O-N 2.75Å; S319-N323 PolarHBondContact O-N 3.46Å; S319-N323 PolarHBondContact O-ND2 2.77Å
320	Q	88.8	Confident	85.3	Confident	111 Å²	111	62.3 Å²	62.3	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-44.5	173.2	-74.2	172.8	-14.9	0	0	110.8	P316 F317 I322 N323 H324	P316-Q320 WeakPolarHBondContact O-CG 3.25Å; P316-Q320 PolarHBondContact O-N 2.84Å; F317-Q320 WeakPolarHBondContact O-CB 3.15Å; F317-Q320 PolarHBondContact O-N 2.94Å; Q320-I322 VanDerWaalsContact C-N 3.29Å; Q320-I322 PolarHBondContact O-N 2.86Å; Q320-N323 PolarHBondContact O-N 2.04Å; Q320-N323 VanDerWaalsContact O-N 3.16Å; Q320-H324 PolarHBondContact O-N 2.91Å; Q320-H324 VanDerWaalsContact O-N 3.17Å; Q320-H324 PolarHBondContact O-ND1 2.83Å
321	I	87.2	Confident	85.4	Confident	13 Å²	13	63.7 Å²	63.7	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-56.8	-45.3	177.6	-70.9	177.6	0	0	0	111	A254 F317 L318 N323 H324 L325 L331 L333	A254-I321 HydrophobicContact CB-CD1 3.36Å; F317-I321 HydrophobicContact CD1-CD1 3.92Å; F317-I321 HydrophobicContact CE1-CD1 3.4Å; F317-I321 VanDerWaalsContact CE1-CD1 3.4Å; F317-I321 HydrophobicContact CE1-CG1 4.44Å; F317-I321 HydrophobicContact CZ-CD1 3.8Å; F317-I321 PolarHBondContact O-N 2.79Å; F317-I321 VanDerWaalsContact O-N 3.11Å; L318-I321 HydrophobicContact CD2-CD1 4.45Å; L318-I321 PolarHBondContact O-N 2.88Å; I321-N323 VanDerWaalsContact C-N 3.29Å; I321-N323 PolarHBondContact O-N 3.3Å; I321-H324 CarbonylContact O-C 3.48Å; I321-H324 PolarHBondContact O-N 3.09Å; I321-L325 WeakPolarHBondContact O-CG 3.46Å; I321-L325 PolarHBondContact O-N 3.1Å; I321-L331 HydrophobicContact CG2-CB 4.24Å; I321-L331 HydrophobicContact CG2-CD1 4.36Å; I321-L333 HydrophobicContact CG2-CD1 4.48Å
322	I	86.1	Confident	85.6	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.046	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-41.9	178.8	-72.5	178.8	0	0	0	112.3	L232 L314 L318 S319 Q320 H324 L325 L333 I359	L232-I322 HydrophobicContact CD1-CD1 4.13Å; L232-I322 HydrophobicContact CD2-CD1 4.2Å; L232-I322 HydrophobicContact CG-CD1 4.48Å; L314-I322 HydrophobicContact CD1-CD1 3.06Å; L314-I322 HydrophobicContact CD1-CG1 4.27Å; L318-I322 PolarHBondContact O-N 2.53Å; L318-I322 VanDerWaalsContact O-N 3.14Å; S319-I322 PolarHBondContact O-N 2.75Å; Q320-I322 VanDerWaalsContact C-N 3.29Å; Q320-I322 PolarHBondContact O-N 2.86Å; I322-H324 PolarHBondContact O-N 3.18Å; I322-L325 HydrophobicContact CB-CD1 4.45Å; I322-L325 HydrophobicContact CG1-CD1 4.26Å; I322-L325 WeakPolarHBondContact O-CB 3.22Å; I322-L325 PolarHBondContact O-N 3.05Å; I322-L333 HydrophobicContact CG1-CD1 4.23Å; I322-I359 HydrophobicContact CD1-CD1 3.69Å; I322-I359 HydrophobicContact CG1-CD1 4Å; I322-I359 HydrophobicContact CG2-CD1 3.93Å
323	N	83	Confident	85.7	Confident	87 Å²	87	61.1 Å²	61.1	47%	0.465	33%	0.332	S	S	.	.	H	α-helix	trans	-66.9	-26.6	178.5	-64.4	-25.8	0	0	0	112.7	S319 Q320 I321 P326	S319-N323 PolarHBondContact O-N 3.46Å; S319-N323 PolarHBondContact O-ND2 2.77Å; Q320-N323 PolarHBondContact O-N 2.04Å; Q320-N323 VanDerWaalsContact O-N 3.16Å; I321-N323 VanDerWaalsContact C-N 3.29Å; I321-N323 PolarHBondContact O-N 3.3Å; N323-P326 WeakPolarHBondContact O-CD 3.4Å
324	H	85.6	Confident	86	Confident	100 Å²	100	56 Å²	56	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-94.3	-11.3	179.8	-66.4	90.4	0	0	0	114.1	Q320 I321 I322 P326 S327 N328 L331	Q320-H324 PolarHBondContact O-N 2.91Å; Q320-H324 VanDerWaalsContact O-N 3.17Å; Q320-H324 PolarHBondContact O-ND1 2.83Å; I321-H324 CarbonylContact O-C 3.48Å; I321-H324 PolarHBondContact O-N 3.09Å; I322-H324 PolarHBondContact O-N 3.18Å; H324-P326 VanDerWaalsContact C-N 3.3Å; H324-S327 PolarHBondContact O-N 3.18Å; H324-S327 PolarHBondContact O-OG 2.89Å; H324-N328 PolarHBondContact O-N 2.93Å; H324-L331 HydrophobicContact CB-CD1 3.78Å
325	L	82.2	Confident	86.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-41.6	174.3	-73.7	171.4	0	0	0	114.1	I321 I322 S327 L331 I355	I321-L325 WeakPolarHBondContact O-CG 3.46Å; I321-L325 PolarHBondContact O-N 3.1Å; I322-L325 HydrophobicContact CB-CD1 4.45Å; I322-L325 HydrophobicContact CG1-CD1 4.26Å; I322-L325 WeakPolarHBondContact O-CB 3.22Å; I322-L325 PolarHBondContact O-N 3.05Å; L325-S327 PolarHBondContact O-N 3Å; L325-L331 HydrophobicContact CD2-CB 4.08Å; L325-L331 WeakPolarHBondContact CD2-O 3.39Å; L325-I355 HydrophobicContact CD1-CG2 3.65Å
326	P	74.2	Confident	86.6	Confident	79 Å²	79	53.8 Å²	53.8	51%	0.513	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.2	177.9	-14.7	26.3	0	0	0	113.4	N323 H324 P358	N323-P326 WeakPolarHBondContact O-CD 3.4Å; H324-P326 VanDerWaalsContact C-N 3.3Å; P326-P358 HydrophobicContact CB-CG 3.91Å; P326-P358 HydrophobicContact CG-CB 4.3Å; P326-P358 HydrophobicContact CG-CG 3.89Å
327	S	77.7	Confident	87	Confident	93 Å²	93	49.1 Å²	49.1	65%	0.65	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-24.1	-174.3	60.8	0	0	0	0	114	H324 L325	H324-S327 PolarHBondContact O-N 3.18Å; H324-S327 PolarHBondContact O-OG 2.89Å; L325-S327 PolarHBondContact O-N 3Å
328	N	80.3	Confident	87.2	Confident	64 Å²	64	45.3 Å²	45.3	34%	0.342	25%	0.249	S	C	.	.			trans	-133	95.7	-172.3	-172.2	-7.3	0	0	0	111.9	H324 S330 L331	H324-N328 PolarHBondContact O-N 2.93Å; N328-S330 PolarHBondContact ND2-OG 3.46Å; N328-S330 PolarHBondContact O-N 3.27Å; N328-S330 VanDerWaalsContact O-N 3.07Å; N328-S330 WeakPolarHBondContact OD1-CB 3.35Å; N328-S330 PolarHBondContact OD1-N 3.27Å; N328-S330 PolarHBondContact OD1-OG 2.67Å; N328-L331 HydrophobicContact CB-CD1 3.97Å; N328-L331 HydrophobicContact CB-CG 4.11Å; N328-L331 PolarHBondContact O-N 2.84Å; N328-L331 VanDerWaalsContact O-N 3.11Å
329	N	75	Confident	87.3	Confident	126 Å²	126	45.3 Å²	45.3	67%	0.674	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.3	179.4	-65	-4.9	0	0	0	114.5
330	S	82.1	Confident	87.4	Confident	86 Å²	86	44.7 Å²	44.7	60%	0.601	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-22.5	175.9	72.7	0	0	0	0	112.9	N328	N328-S330 PolarHBondContact ND2-OG 3.46Å; N328-S330 PolarHBondContact O-N 3.27Å; N328-S330 VanDerWaalsContact O-N 3.07Å; N328-S330 WeakPolarHBondContact OD1-CB 3.35Å; N328-S330 PolarHBondContact OD1-N 3.27Å; N328-S330 PolarHBondContact OD1-OG 2.67Å
331	L	87.5	Confident	87.3	Confident	44 Å²	44	39.4 Å²	39.4	23%	0.23	22%	0.219	C	C	.	.			trans	-75.1	132.8	179.1	-65	177.2	0	0	0	110.5	I321 H324 L325 N328	I321-L331 HydrophobicContact CG2-CB 4.24Å; I321-L331 HydrophobicContact CG2-CD1 4.36Å; H324-L331 HydrophobicContact CB-CD1 3.78Å; L325-L331 HydrophobicContact CD2-CB 4.08Å; L325-L331 WeakPolarHBondContact CD2-O 3.39Å; N328-L331 HydrophobicContact CB-CD1 3.97Å; N328-L331 HydrophobicContact CB-CG 4.11Å; N328-L331 PolarHBondContact O-N 2.84Å; N328-L331 VanDerWaalsContact O-N 3.11Å
332	K	90.8	Very high	87	Confident	79 Å²	79	45.6 Å²	45.6	34%	0.343	25%	0.245	S	C	.	.			trans	-134	137.7	179.1	-55.4	-177.4	-180	174.2	0	108.5	A254 Y334 I354 I355 Q356	A254-K332 WeakPolarHBondContact CA-O 3.26Å; K332-Y334 HydrophobicContact CB-CE2 4.11Å; K332-I354 HydrophobicContact CB-CG2 4.23Å; K332-I355 WeakPolarHBondContact CA-O 3.26Å; K332-Q356 HydrophobicContact CG-CG 4.08Å
333	L	93	Very high	86.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.9	171.4	-164	115.6	0	0	0	108	I252 L318 I321 I322 I335 I354 I355	I252-L333 HydrophobicContact CG2-CD1 4.07Å; I252-L333 HydrophobicContact CG2-CD2 3.46Å; I252-L333 VanDerWaalsContact CG2-CD2 3.46Å; I252-L333 HydrophobicContact CG2-CG 3.74Å; L318-L333 HydrophobicContact CB-CD1 4.42Å; L318-L333 HydrophobicContact CD2-CD1 4.04Å; I321-L333 HydrophobicContact CG2-CD1 4.48Å; I322-L333 HydrophobicContact CG1-CD1 4.23Å; L333-I335 HydrophobicContact CD2-CD1 4.02Å; L333-I335 HydrophobicContact CD2-CG1 3.91Å; L333-I354 WeakPolarHBondContact O-CA 3.4Å; L333-I355 HydrophobicContact CB-CB 4.21Å; L333-I355 HydrophobicContact CD2-CD1 4.06Å; L333-I355 PolarHBondContact N-O 3.19Å; L333-I355 PolarHBondContact O-N 3.05Å
334	Y	95.3	Very high	86.3	Confident	38 Å²	38	46.5 Å²	46.5	15%	0.149	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.8	179.7	-58.6	-82.3	0	0	0	109.2	I252 N253 E256 N257 K332 V352 I354	I252-Y334 WeakPolarHBondContact CA-O 3.12Å; N253-Y334 PolarHBondContact N-O 3.06Å; N253-Y334 PolarHBondContact O-N 2.84Å; E256-Y334 VanDerWaalsContact C-CD2 3.48Å; E256-Y334 WeakPolarHBondContact O-CD2 3.11Å; N257-Y334 HydrophobicContact CB-CD1 3.92Å; N257-Y334 HydrophobicContact CB-CE1 4.19Å; K332-Y334 HydrophobicContact CB-CE2 4.11Å; Y334-V352 HydrophobicContact CD1-CG2 4.32Å; Y334-I354 HydrophobicContact CD1-CD1 4.4Å; Y334-I354 HydrophobicContact CD1-CG1 4.05Å; Y334-I354 HydrophobicContact CD1-CG2 4.4Å; Y334-I354 HydrophobicContact CE1-CD1 4.14Å; Y334-I354 HydrophobicContact CE1-CG1 4.24Å; Y334-I354 HydrophobicContact CE1-CG2 4.23Å
335	I	95.4	Very high	86.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.1	174.2	-59.7	171.5	0	0	0	107.8	V222 I234 V250 V251 I252 L333 I337 K353 I355	V222-I335 HydrophobicContact CB-CD1 4.47Å; V222-I335 HydrophobicContact CG1-CD1 4.03Å; V222-I335 HydrophobicContact CG2-CD1 3.72Å; I234-I335 HydrophobicContact CD1-CD1 4.23Å; I234-I335 HydrophobicContact CD1-CG2 4.11Å; I234-I335 HydrophobicContact CG2-CG2 4.44Å; V250-I335 HydrophobicContact CG1-CG2 4.04Å; V251-I335 WeakPolarHBondContact O-CA 3.5Å; I252-I335 HydrophobicContact CG1-CG1 4.2Å; I252-I335 HydrophobicContact CG2-CG1 4.27Å; L333-I335 HydrophobicContact CD2-CD1 4.02Å; L333-I335 HydrophobicContact CD2-CG1 3.91Å; I335-I337 HydrophobicContact CG2-CG1 4.36Å; I335-K353 HydrophobicContact CB-CB 4.17Å; I335-K353 PolarHBondContact N-O 3.03Å; I335-K353 PolarHBondContact O-N 2.87Å; I335-I355 HydrophobicContact CD1-CD1 3.53Å; I335-I355 HydrophobicContact CD1-CG1 4.17Å
336	N	95.9	Very high	86.7	Confident	2 Å²	2	44 Å²	44	1%	0.011	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.2	177.5	-66.6	98.3	0	0	0	109.9	V250 V251 N257 L258 Y338	V250-N336 CarbonylContact C-O 3.51Å; V250-N336 WeakPolarHBondContact CA-O 3.37Å; V251-N336 HydrophobicContact CB-CB 4.39Å; V251-N336 PolarHBondContact N-O 3.41Å; V251-N336 PolarHBondContact O-N 3.1Å; N257-N336 PolarHBondContact OD1-ND2 3.37Å; L258-N336 PolarHBondContact N-OD1 2.78Å; L258-N336 VanDerWaalsContact N-OD1 3.12Å; L258-N336 WeakPolarHBondContact O-CB 3.31Å; L258-N336 PolarHBondContact O-ND2 2.83Å; N336-Y338 HydrophobicContact CB-CE1 4.06Å
337	I	95.4	Very high	87.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.4	179.5	-51.4	-172.5	0	0	0	108.8	I220 I234 W236 C249 V250 I335 Y350	I220-I337 HydrophobicContact CB-CD1 4.49Å; I220-I337 HydrophobicContact CD1-CB 4.43Å; I220-I337 HydrophobicContact CD1-CD1 3.66Å; I220-I337 HydrophobicContact CD1-CG1 3.82Å; I220-I337 HydrophobicContact CG1-CD1 3.87Å; I220-I337 HydrophobicContact CG2-CD1 3.82Å; I234-I337 HydrophobicContact CG2-CD1 3.98Å; W236-I337 HydrophobicContact CB-CD1 4.45Å; W236-I337 HydrophobicContact CD2-CD1 3.69Å; W236-I337 HydrophobicContact CD2-CG2 4.07Å; W236-I337 HydrophobicContact CE3-CD1 3.31Å; W236-I337 HydrophobicContact CG-CD1 4.19Å; W236-I337 HydrophobicContact CG-CG2 4.46Å; W236-I337 HydrophobicContact CZ2-CG2 4.2Å; W236-I337 HydrophobicContact CZ3-CD1 3.78Å; C249-I337 WeakPolarHBondContact O-CA 3.29Å; V250-I337 HydrophobicContact CG1-CG1 4.31Å; V250-I337 HydrophobicContact CG2-CD1 4.19Å; V250-I337 HydrophobicContact CG2-CG1 4.02Å; V250-I337 HydrophobicContact CG2-CG2 4.23Å; I335-I337 HydrophobicContact CG2-CG1 4.36Å; I337-Y350 HydrophobicContact CB-CD2 3.97Å; I337-Y350 HydrophobicContact CB-CG 4.32Å; I337-Y350 HydrophobicContact CG2-CD2 3.77Å; I337-Y350 HydrophobicContact CG2-CE2 4.16Å; I337-Y350 HydrophobicContact CG2-CG 4.49Å; I337-Y350 WeakPolarHBondContact O-CD2 3.44Å; I337-Y350 PolarHBondContact O-N 3.26Å
338	Y	95.1	Very high	88.3	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.3	178.1	-41.1	-57.8	0	0	0	109.8	Y248 C249 V251 L258 Y260 K261 A264 N336 T348 S349	Y248-Y338 CarbonylContact C-O 3.5Å; Y248-Y338 VanDerWaalsContact CA-O 3.25Å; Y248-Y338 WeakPolarHBondContact CA-O 3.28Å; C249-Y338 HydrophobicContact CB-CD2 4.5Å; C249-Y338 PolarHBondContact N-O 3.36Å; C249-Y338 PolarHBondContact O-N 3.39Å; V251-Y338 HydrophobicContact CG2-CD2 4.4Å; V251-Y338 HydrophobicContact CG2-CE2 3.55Å; L258-Y338 WeakPolarHBondContact CB-OH 3.41Å; L258-Y338 WeakPolarHBondContact O-CE1 3.38Å; L258-Y338 PolarHBondContact O-OH 2.84Å; Y260-Y338 VanDerWaalsContact C-CE1 3.44Å; Y260-Y338 PolarHBondContact O-OH 3.33Å; K261-Y338 HydrophobicContact CB-CD1 4.32Å; K261-Y338 HydrophobicContact CB-CD2 3.85Å; K261-Y338 HydrophobicContact CB-CE2 4.21Å; K261-Y338 HydrophobicContact CB-CG 3.9Å; K261-Y338 HydrophobicContact CG-CD2 4.05Å; K261-Y338 HydrophobicContact CG-CE2 4.47Å; K261-Y338 HydrophobicContact CG-CG 4.49Å; A264-Y338 HydrophobicContact CB-CE2 4.1Å; N336-Y338 HydrophobicContact CB-CE1 4.06Å; Y338-T348 WeakPolarHBondContact CA-O 3.34Å; Y338-S349 WeakPolarHBondContact CD1-OG 3.35Å
339	A	93.3	Very high	88.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119.7	164.3	0	0	0	0	0	108.5	P212 L214 V239 I246 Y248 S347 T348 Y350	P212-A339 HydrophobicContact CB-CB 3.89Å; P212-A339 HydrophobicContact CG-CB 4.23Å; L214-A339 HydrophobicContact CD2-CB 3.96Å; V239-A339 HydrophobicContact CG1-CB 3.74Å; I246-A339 HydrophobicContact CG2-CB 4.18Å; Y248-A339 HydrophobicContact CD1-CB 4.01Å; Y248-A339 HydrophobicContact CE1-CB 3.85Å; A339-S347 CarbonylContact O-C 3.49Å; A339-S347 WeakPolarHBondContact O-CA 3.22Å; A339-S347 WeakPolarHBondContact O-CB 3.42Å; A339-T348 PolarHBondContact N-O 2.76Å; A339-T348 PolarHBondContact O-N 3.06Å; A339-Y350 HydrophobicContact CB-CE2 4.04Å
340	I	91.6	Very high	89.8	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	-176.6	-50.5	174.5	0	0	0	108.7	I246 N247 C249 K261 K342 I346	I246-I340 WeakPolarHBondContact CA-O 3.45Å; N247-I340 PolarHBondContact N-O 2.95Å; N247-I340 WeakPolarHBondContact O-CA 3.47Å; N247-I340 VanDerWaalsContact O-CB 3.29Å; N247-I340 WeakPolarHBondContact O-CB 3.4Å; N247-I340 PolarHBondContact O-N 3.17Å; C249-I340 HydrophobicContact CB-CD1 4Å; C249-I340 WeakPolarHBondContact SG-CD1 3.37Å; K261-I340 HydrophobicContact CD-CD1 3.9Å; K261-I340 HydrophobicContact CD-CG1 4.23Å; I340-K342 PolarHBondContact O-N 3.02Å; I340-I346 WeakPolarHBondContact CA-O 3.4Å
341	N	86	Confident	90.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	107.2	165.4	-179.3	-17.2	0	0	0	108.4	L208 G210 P212 R343 M344 D345 I346	L208-N341 PolarHBondContact O-ND2 2.93Å; G210-N341 PolarHBondContact O-ND2 3.35Å; G210-N341 VanDerWaalsContact O-ND2 3.08Å; P212-N341 HydrophobicContact CG-CB 4.07Å; N341-R343 PolarHBondContact O-N 3.12Å; N341-R343 WeakPolarHBondContact OD1-CB 3.37Å; N341-R343 PolarHBondContact OD1-N 2.82Å; N341-R343 VanDerWaalsContact OD1-N 3.1Å; N341-M344 PolarHBondContact O-N 3.04Å; N341-D345 WeakPolarHBondContact O-CA 3.47Å; N341-D345 PolarHBondContact O-N 2.66Å; N341-I346 HydrophobicContact CB-CG1 4.03Å; N341-I346 PolarHBondContact N-O 3.19Å
342	K	81.7	Confident	90.4	Very high	143 Å²	143	25.8 Å²	25.8	62%	0.622	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.5	-174	-169.7	-179.2	177.4	-176.1	0	113.4	Q245 I340	Q245-K342 HydrophobicContact CB-CB 4.35Å; Q245-K342 WeakPolarHBondContact O-CB 3.36Å; Q245-K342 PolarHBondContact O-N 2.85Å; I340-K342 PolarHBondContact O-N 3.02Å
343	R	76.2	Confident	90.4	Very high	113 Å²	113	26 Å²	26	43%	0.426	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-44.6	-177.7	-179.9	173	164.1	130.2	5.6	111.8	D209 N341	D209-R343 VanDerWaalsContact OD1-CD 3.29Å; D209-R343 WeakPolarHBondContact OD1-CD 3.49Å; D209-R343 IonicContact OD1-CZ 3.97Å; D209-R343 IonicContact OD1-NE 3.9Å; D209-R343 PolarHBondContact OD1-NE 2.73Å; D209-R343 IonicContact OD1-NH2 3.58Å; N341-R343 PolarHBondContact O-N 3.12Å; N341-R343 WeakPolarHBondContact OD1-CB 3.37Å; N341-R343 PolarHBondContact OD1-N 2.82Å; N341-R343 VanDerWaalsContact OD1-N 3.1Å
344	M	78.9	Confident	90.3	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.015	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-9.7	-177.8	-60.4	-53.3	-64.6	0	0	113.4	I39 A62 L124 D209 N341 I346	I39-M344 HydrophobicContact CD1-CE 4.14Å; I39-M344 HydrophobicContact CD1-SD 4.32Å; A62-M344 HydrophobicContact CB-CE 4.16Å; A62-M344 WeakPolarHBondContact O-CE 3.42Å; L124-M344 HydrophobicContact CD1-CE 3.5Å; L124-M344 VanDerWaalsContact CD1-CE 3.5Å; L124-M344 HydrophobicContact CD1-SD 3.77Å; L124-M344 HydrophobicContact CD2-SD 4.07Å; D209-M344 HydrophobicContact CB-CG 3.81Å; D209-M344 HydrophobicContact CB-SD 4.19Å; D209-M344 WeakPolarHBondContact O-CG 3.32Å; N341-M344 PolarHBondContact O-N 3.04Å; M344-I346 HydrophobicContact CB-CD1 3.92Å; M344-I346 HydrophobicContact CB-CG1 3.94Å; M344-I346 HydrophobicContact CB-CG2 4.33Å; M344-I346 PolarHBondContact O-N 3.34Å
345	D	86.1	Confident	90	Very high	49 Å²	49	28.3 Å²	28.3	26%	0.262	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	32.1	-173.9	-169.2	34.5	0	0	0	114.1	R43 K261 N341	R43-D345 IonicContact CZ-OD2 3.82Å; R43-D345 IonicContact NH1-OD2 3.94Å; R43-D345 PolarHBondContact NH1-OD2 3.35Å; R43-D345 IonicContact NH2-OD2 3.96Å; K261-D345 IonicContact NZ-OD1 3.83Å; K261-D345 PolarHBondContact NZ-OD1 2.84Å; K261-D345 IonicContact NZ-OD2 3.45Å; N341-D345 WeakPolarHBondContact O-CA 3.47Å; N341-D345 PolarHBondContact O-N 2.66Å
346	I	89	Confident	89.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.7	172.3	60.9	-173.2	0	0	0	109.9	E64 D209 G210 Y211 I340 N341 M344	E64-I346 HydrophobicContact CB-CG2 3.87Å; D209-I346 WeakPolarHBondContact O-CD1 3.39Å; G210-I346 WeakPolarHBondContact O-CD1 3.42Å; Y211-I346 HydrophobicContact CD1-CB 3.94Å; Y211-I346 HydrophobicContact CD1-CD1 4.28Å; Y211-I346 HydrophobicContact CD1-CG1 4.19Å; Y211-I346 HydrophobicContact CE1-CB 3.73Å; Y211-I346 HydrophobicContact CE1-CG1 4.42Å; Y211-I346 HydrophobicContact CE1-CG2 4.3Å; Y211-I346 HydrophobicContact CG-CD1 4.28Å; I340-I346 WeakPolarHBondContact CA-O 3.4Å; N341-I346 HydrophobicContact CB-CG1 4.03Å; N341-I346 PolarHBondContact N-O 3.19Å; M344-I346 HydrophobicContact CB-CD1 3.92Å; M344-I346 HydrophobicContact CB-CG1 3.94Å; M344-I346 HydrophobicContact CB-CG2 4.33Å; M344-I346 PolarHBondContact O-N 3.34Å
347	S	93.2	Very high	88.6	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.028	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.2	-171.4	66.5	0	0	0	0	114.7	R169 Y211 K261 A339	R169-S347 PolarHBondContact NH1-O 3.17Å; R169-S347 PolarHBondContact NH2-O 3.38Å; Y211-S347 WeakPolarHBondContact CD1-O 3.15Å; K261-S347 WeakPolarHBondContact CB-OG 3.46Å; A339-S347 CarbonylContact O-C 3.49Å; A339-S347 WeakPolarHBondContact O-CA 3.22Å; A339-S347 WeakPolarHBondContact O-CB 3.42Å
348	T	92.5	Very high	87.8	Confident	19 Å²	19	42.4 Å²	42.4	12%	0.117	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.5	171.9	-53.2	0	0	0	0	108.6	P212 L214 Y338 A339	P212-T348 WeakPolarHBondContact CD-OG1 3.11Å; P212-T348 VanDerWaalsContact O-CB 3.23Å; P212-T348 WeakPolarHBondContact O-CB 3.2Å; P212-T348 WeakPolarHBondContact O-CG2 3.35Å; P212-T348 PolarHBondContact O-OG1 3.19Å; L214-T348 HydrophobicContact CD1-CG2 3.87Å; L214-T348 HydrophobicContact CG-CG2 3.81Å; Y338-T348 WeakPolarHBondContact CA-O 3.34Å; A339-T348 PolarHBondContact N-O 2.76Å; A339-T348 PolarHBondContact O-N 3.06Å
349	S	93.3	Very high	87.1	Confident	11 Å²	11	43.7 Å²	43.7	8%	0.077	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.6	-176.2	-62.7	0	0	0	0	112.2	L214 Y259 Y260 Y338	L214-S349 WeakPolarHBondContact CD1-O 3.39Å; Y259-S349 WeakPolarHBondContact O-CB 3.28Å; Y259-S349 PolarHBondContact O-OG 3.14Å; Y260-S349 WeakPolarHBondContact CA-OG 3.39Å; Y260-S349 WeakPolarHBondContact CD1-OG 3.37Å; Y338-S349 WeakPolarHBondContact CD1-OG 3.35Å
350	Y	92.8	Very high	86.5	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-74.1	157.4	164.2	-72.8	-97.5	0	0	0	110.4	L214 W236 K237 Y248 I337 A339 V352	L214-Y350 HydrophobicContact CD1-CD1 3.96Å; L214-Y350 HydrophobicContact CD1-CD2 3.86Å; L214-Y350 HydrophobicContact CD1-CE1 4.11Å; L214-Y350 HydrophobicContact CD1-CE2 4.01Å; L214-Y350 HydrophobicContact CD1-CG 3.83Å; L214-Y350 HydrophobicContact CD2-CD2 4.39Å; L214-Y350 HydrophobicContact CD2-CE1 4.07Å; L214-Y350 HydrophobicContact CD2-CE2 3.7Å; L214-Y350 WeakPolarHBondContact CD2-OH 3.25Å; W236-Y350 AromaticContact CD1-CZ 3.64Å; K237-Y350 WeakPolarHBondContact O-CE1 3.44Å; K237-Y350 PolarHBondContact O-OH 2.84Å; Y248-Y350 HydrophobicContact CD1-CE2 4.15Å; Y248-Y350 HydrophobicContact CE1-CE2 4.13Å; Y248-Y350 WeakPolarHBondContact CE1-OH 3.39Å; I337-Y350 HydrophobicContact CB-CD2 3.97Å; I337-Y350 HydrophobicContact CB-CG 4.32Å; I337-Y350 HydrophobicContact CG2-CD2 3.77Å; I337-Y350 HydrophobicContact CG2-CE2 4.16Å; I337-Y350 HydrophobicContact CG2-CG 4.49Å; I337-Y350 WeakPolarHBondContact O-CD2 3.44Å; I337-Y350 PolarHBondContact O-N 3.26Å; A339-Y350 HydrophobicContact CB-CE2 4.04Å; Y350-V352 PolarHBondContact O-N 3.33Å
351	P	90.1	Very high	85.9	Confident	50 Å²	50	55.9 Å²	55.9	33%	0.325	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-50.6	138	164.2	-27.1	36.8	0	0	0	111.4	S146 I220	S146-P351 WeakPolarHBondContact OG-CA 3.47Å; I220-P351 WeakPolarHBondContact CD1-O 3.28Å
352	V	92.4	Very high	85.2	Confident	23 Å²	23	56.8 Å²	56.8	14%	0.139	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.1	139.2	-179.4	63.6	0	0	0	0	110	S146 Y334 Y350 I354	S146-V352 WeakPolarHBondContact OG-CG1 3.12Å; S146-V352 PolarHBondContact OG-N 3.28Å; Y334-V352 HydrophobicContact CD1-CG2 4.32Å; Y350-V352 PolarHBondContact O-N 3.33Å; V352-I354 HydrophobicContact CG1-CD1 4.19Å; V352-I354 HydrophobicContact CG1-CG1 3.95Å; V352-I354 HydrophobicContact CG2-CG1 4.19Å
353	K	91.4	Very high	84.2	Confident	85 Å²	85	56.1 Å²	56.1	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.6	167	179.5	68.4	174.8	-174.8	0	108.6	I220 V222 I335 I355	I220-K353 HydrophobicContact CB-CB 3.93Å; I220-K353 HydrophobicContact CB-CG 4.42Å; I220-K353 HydrophobicContact CD1-CB 3.98Å; I220-K353 HydrophobicContact CG2-CB 4.04Å; I220-K353 HydrophobicContact CG2-CG 4.37Å; V222-K353 HydrophobicContact CG2-CG 4.01Å; I335-K353 HydrophobicContact CB-CB 4.17Å; I335-K353 PolarHBondContact N-O 3.03Å; I335-K353 PolarHBondContact O-N 2.87Å; K353-I355 HydrophobicContact CG-CG1 4.5Å
354	I	90.8	Very high	83	Confident	72 Å²	72	55 Å²	55	37%	0.369	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.2	175.7	-48.7	178.7	0	0	0	107.8	K332 L333 Y334 V352 Q356	K332-I354 HydrophobicContact CB-CG2 4.23Å; L333-I354 WeakPolarHBondContact O-CA 3.4Å; Y334-I354 HydrophobicContact CD1-CD1 4.4Å; Y334-I354 HydrophobicContact CD1-CG1 4.05Å; Y334-I354 HydrophobicContact CD1-CG2 4.4Å; Y334-I354 HydrophobicContact CE1-CD1 4.14Å; Y334-I354 HydrophobicContact CE1-CG1 4.24Å; Y334-I354 HydrophobicContact CE1-CG2 4.23Å; V352-I354 HydrophobicContact CG1-CD1 4.19Å; V352-I354 HydrophobicContact CG1-CG1 3.95Å; V352-I354 HydrophobicContact CG2-CG1 4.19Å; I354-Q356 HydrophobicContact CG2-CG 3.79Å
355	I	88.3	Confident	81.4	Confident	13 Å²	13	59.5 Å²	59.5	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.3	173.4	-53.5	-177.4	0	0	0	107.8	V222 L325 K332 L333 I335 K353 Y357 I359	V222-I355 HydrophobicContact CB-CD1 4.37Å; V222-I355 HydrophobicContact CG1-CD1 3.91Å; L325-I355 HydrophobicContact CD1-CG2 3.65Å; K332-I355 WeakPolarHBondContact CA-O 3.26Å; L333-I355 HydrophobicContact CB-CB 4.21Å; L333-I355 HydrophobicContact CD2-CD1 4.06Å; L333-I355 PolarHBondContact N-O 3.19Å; L333-I355 PolarHBondContact O-N 3.05Å; I335-I355 HydrophobicContact CD1-CD1 3.53Å; I335-I355 HydrophobicContact CD1-CG1 4.17Å; K353-I355 HydrophobicContact CG-CG1 4.5Å; I355-Y357 WeakPolarHBondContact CG2-O 3.19Å; I355-I359 HydrophobicContact CD1-CD1 3.7Å; I355-I359 HydrophobicContact CD1-CG1 4.07Å; I355-I359 HydrophobicContact CG2-CD1 4.08Å; I355-I359 HydrophobicContact CG2-CG1 3.66Å
356	Q	84.5	Confident	79.5	Confident	55 Å²	55	61.7 Å²	61.7	26%	0.257	31%	0.314	S	S	.	.			trans	-127.8	-2.3	178.1	-55.4	-176.5	-26.3	0	0	111.8	K332 I354	K332-Q356 HydrophobicContact CG-CG 4.08Å; I354-Q356 HydrophobicContact CG2-CG 3.79Å
357	Y	79	Confident	77.5	Confident	163 Å²	163	64.1 Å²	64.1	64%	0.639	33%	0.325	S	S	*	.	S	Bend	trans	-129.7	162	-173.1	-56	-72.2	0	0	0	109	I355 I359	I355-Y357 WeakPolarHBondContact CG2-O 3.19Å; Y357-I359 PolarHBondContact O-N 2.75Å
358	P	77.2	Confident	75.4	Confident	81 Å²	81	67.6 Å²	67.6	53%	0.526	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-53	133.6	176.6	-21.7	30.8	0	0	0	111.4	P326	P326-P358 HydrophobicContact CB-CG 3.91Å; P326-P358 HydrophobicContact CG-CB 4.3Å; P326-P358 HydrophobicContact CG-CG 3.89Å
359	I	81.4	Confident	73.5	Confident	26 Å²	26	69 Å²	69	13%	0.133	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-79.9	131.4	-178.4	-57.9	176.2	0	0	0	109.1	L224 L232 I322 I355 Y357	L224-I359 HydrophobicContact CB-CB 4.37Å; L224-I359 HydrophobicContact CB-CG2 3.93Å; L232-I359 HydrophobicContact CD2-CD1 3.88Å; L232-I359 HydrophobicContact CD2-CG2 4.42Å; I322-I359 HydrophobicContact CD1-CD1 3.69Å; I322-I359 HydrophobicContact CG1-CD1 4Å; I322-I359 HydrophobicContact CG2-CD1 3.93Å; I355-I359 HydrophobicContact CD1-CD1 3.7Å; I355-I359 HydrophobicContact CD1-CG1 4.07Å; I355-I359 HydrophobicContact CG2-CD1 4.08Å; I355-I359 HydrophobicContact CG2-CG1 3.66Å; Y357-I359 PolarHBondContact O-N 2.75Å
360	E	79.3	Confident	71.5	Confident	161 Å²	161	73.6 Å²	73.6	75%	0.752	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-64.2	140	174.8	-64.9	-179.4	179.3	0	0	111.2	C223 L224	C223-E360 CarbonylContact C-O 3.14Å; C223-E360 VanDerWaalsContact CA-O 3.31Å; C223-E360 WeakPolarHBondContact CA-O 3.45Å; C223-E360 WeakPolarHBondContact CB-O 3.43Å; L224-E360 PolarHBondContact N-O 3.38Å
361	L	79	Confident	69.9	Low	102 Å²	102	74.8 Å²	74.8	53%	0.534	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.3	173.2	-70.7	171.1	0	0	0	110.1	L224 Q226 Q363	L224-L361 HydrophobicContact CB-CD2 4.29Å; L224-L361 HydrophobicContact CD2-CD2 4.01Å; L224-L361 HydrophobicContact CG-CD2 4.27Å; L224-L361 CarbonylContact O-C 3.58Å; L224-L361 WeakPolarHBondContact O-CA 3.48Å; Q226-L361 HydrophobicContact CG-CB 4.4Å; L361-Q363 PolarHBondContact O-N 3.28Å
362	C	71.9	Confident	68.4	Low	18 Å²	18	77.8 Å²	77.8	12%	0.122	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	104	171.3	-59.7	0	0	0	0	108.3	C223 L224 Q226 S364	C223-C362 HydrophobicContact CB-CB 3.93Å; C223-C362 WeakPolarHBondContact CB-SG 3.25Å; C223-C362 PolarHBondContact O-SG 3.39Å; C223-C362 WeakPolarHBondContact SG-CA 3.4Å; C223-C362 WeakPolarHBondContact SG-CB 3.46Å; C223-C362 CovalentContact SG-SG 2.04Å; C223-C362 PolarHBondContact SG-SG 3.11Å; L224-C362 PolarHBondContact O-N 2.86Å; L224-C362 PolarHBondContact O-SG 3.4Å; Q226-C362 VanDerWaalsContact CG-O 3.32Å; Q226-C362 WeakPolarHBondContact CG-O 3.18Å; Q226-C362 PolarHBondContact NE2-O 2.95Å; C362-S364 PolarHBondContact O-N 3.34Å
363	Q	60.1	Low	66.7	Low	130 Å²	130	77.1 Å²	77.1	61%	0.607	38%	0.382	S	S	*	.			trans	-60	125.1	173.3	-66	-178.1	-8.6	0	0	108	L361 N365	L361-Q363 PolarHBondContact O-N 3.28Å; Q363-N365 PolarHBondContact O-N 3.27Å
364	S	51.7	Low	65	Low	89 Å²	89	76.9 Å²	76.9	62%	0.622	38%	0.384	S	S	*	.	S	Bend	trans	-54.5	-25.3	-179.1	63.1	0	0	0	0	112.4	C362	C362-S364 PolarHBondContact O-N 3.34Å
365	N	44.8	Very low	63.3	Low	98 Å²	98	75.3 Å²	75.3	52%	0.524	38%	0.377	S	S	.	.	S	Bend	trans	-112.3	108	-176.7	-66	-0	0	0	0	108	Q363	Q363-N365 PolarHBondContact O-N 3.27Å
366	Y	46.9	Very low	62.1	Low	95 Å²	95	81.6 Å²	81.6	37%	0.373	40%	0.403	S	S	.	.			trans	84.1	111.7	163.1	-44.3	-72.6	0	0	0	116.9	Y368 N387	Y366-Y368 WeakPolarHBondContact O-CD2 3.47Å; Y366-Y368 PolarHBondContact O-N 3.17Å; Y366-N387 WeakPolarHBondContact CB-ND2 3.4Å; Y366-N387 HydrophobicContact CD1-CB 4.39Å; Y366-N387 WeakPolarHBondContact CD1-ND2 3.41Å; Y366-N387 WeakPolarHBondContact CD1-OD1 3.4Å; Y366-N387 WeakPolarHBondContact CD2-ND2 3.48Å; Y366-N387 HydrophobicContact CG-CB 4.34Å
367	H	47.1	Very low	60.9	Low	50 Å²	50	83.2 Å²	83.2	23%	0.231	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	114.5	163.1	-156.8	-62.4	0	0	0	108	S235 N387	S235-H367 PolarHBondContact OG-CE1 2.74Å; S235-H367 PolarHBondContact OG-NE2 3.23Å; H367-N387 PolarHBondContact O-N 3.13Å
368	Y	50.1	Low	60.5	Low	77 Å²	77	76.5 Å²	76.5	30%	0.302	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110.4	175.4	-70.3	-79.2	0	0	0	109.9	Y366 N370 N387 L389 Y462	Y366-Y368 WeakPolarHBondContact O-CD2 3.47Å; Y366-Y368 PolarHBondContact O-N 3.17Å; Y368-N370 PolarHBondContact O-N 3.02Å; Y368-N387 WeakPolarHBondContact CA-O 3.47Å; Y368-N387 HydrophobicContact CD1-CB 4.3Å; Y368-N387 HydrophobicContact CE1-CB 4.14Å; Y368-L389 HydrophobicContact CD1-CB 4.23Å; Y368-L389 HydrophobicContact CD1-CD1 4.46Å; Y368-Y462 HydrophobicContact CD1-CE1 4.21Å; Y368-Y462 HydrophobicContact CE1-CD1 4.14Å; Y368-Y462 AromaticContact CE1-CE1 3.74Å; Y368-Y462 HydrophobicContact CE1-CE1 3.74Å
369	N	50.7	Low	60.4	Low	49 Å²	49	75.2 Å²	75.2	26%	0.262	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	94.2	165.4	-81.5	-7.5	0	0	0	108.3	L371 N387 I388 L389	N369-L371 PolarHBondContact O-N 3.32Å; N369-N387 PolarHBondContact N-O 3.43Å; N369-I388 HydrophobicContact CB-CG2 4.47Å; N369-L389 CarbonylContact C-O 3.55Å; N369-L389 CarbonylContact O-C 3.55Å; N369-L389 PolarHBondContact O-N 3.33Å; N369-L389 VanDerWaalsContact O-N 3.17Å
370	N	51.8	Low	60.2	Low	108 Å²	108	75 Å²	75	58%	0.578	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	113.3	175.1	-68.9	-7.1	0	0	0	109.9	Y368 L389	Y368-N370 PolarHBondContact O-N 3.02Å; N370-L389 CarbonylContact C-O 3.5Å; N370-L389 VanDerWaalsContact CA-O 3.22Å; N370-L389 WeakPolarHBondContact CA-O 3.43Å; N370-L389 HydrophobicContact CB-CD2 4.4Å; N370-L389 WeakPolarHBondContact OD1-CB 3.35Å; N370-L389 WeakPolarHBondContact OD1-CD1 3.44Å
371	L	60.5	Low	60.3	Low	26 Å²	26	69.2 Å²	69.2	14%	0.136	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.7	-176.3	-64.8	165.5	0	0	0	110.5	N369 I373 Y378 I388 L389 F390 Q391 Y480	N369-L371 PolarHBondContact O-N 3.32Å; L371-I373 HydrophobicContact CB-CG1 4.25Å; L371-Y378 HydrophobicContact CD1-CE1 3.85Å; L371-Y378 HydrophobicContact CD1-CE2 4.4Å; L371-Y378 WeakPolarHBondContact CD1-OH 3.47Å; L371-Y378 HydrophobicContact CD2-CE2 4.13Å; L371-Y378 VanDerWaalsContact CD2-OH 3.29Å; L371-Y378 WeakPolarHBondContact CD2-OH 3.49Å; L371-I388 HydrophobicContact CD1-CG2 4.08Å; L371-L389 PolarHBondContact N-O 3.12Å; L371-F390 HydrophobicContact CB-CB 4.09Å; L371-F390 CarbonylContact O-C 3.54Å; L371-F390 WeakPolarHBondContact O-CA 3.33Å; L371-F390 WeakPolarHBondContact O-CB 3.32Å; L371-Q391 PolarHBondContact O-N 2.9Å; L371-Y480 HydrophobicContact CD1-CE2 4.34Å; L371-Y480 VanDerWaalsContact CD1-OH 3.25Å; L371-Y480 WeakPolarHBondContact CD1-OH 3.09Å
372	I	58.3	Low	60.5	Low	113 Å²	113	64.4 Å²	64.4	58%	0.579	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	114	168.3	-54.1	177.5	0	0	0	107.2	I374	I372-I374 HydrophobicContact CG2-CD1 4.38Å; I372-I374 HydrophobicContact CG2-CG1 4.13Å
373	I	56.6	Low	61	Low	8 Å²	8	66.4 Å²	66.4	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	112.4	-176.8	-57.1	179.6	0	0	0	108.4	L371 F390 Q391 L392 Q393 L399 F482	L371-I373 HydrophobicContact CB-CG1 4.25Å; I373-F390 HydrophobicContact CD1-CB 3.8Å; I373-F390 HydrophobicContact CD1-CD2 4.25Å; I373-F390 HydrophobicContact CD1-CG 4.15Å; I373-F390 HydrophobicContact CG1-CB 4.31Å; I373-Q391 PolarHBondContact N-O 3.04Å; I373-L392 HydrophobicContact CB-CD2 3.93Å; I373-L392 HydrophobicContact CG2-CD2 3.99Å; I373-Q393 PolarHBondContact O-N 2.88Å; I373-L399 HydrophobicContact CG2-CD1 3.85Å; I373-F482 HydrophobicContact CD1-CD1 4.35Å; I373-F482 HydrophobicContact CD1-CD2 3.67Å; I373-F482 HydrophobicContact CD1-CE1 3.91Å; I373-F482 HydrophobicContact CD1-CE2 3.15Å; I373-F482 HydrophobicContact CD1-CG 4.24Å; I373-F482 HydrophobicContact CD1-CZ 3.27Å; I373-F482 HydrophobicContact CG2-CG 4.5Å
374	I	55.2	Low	62	Low	81 Å²	81	60.8 Å²	60.8	42%	0.415	30%	0.298	S	S	.	.			trans	-114.3	95.6	178.1	-53.6	169	0	0	0	107.7	I372 K376 T395	I372-I374 HydrophobicContact CG2-CD1 4.38Å; I372-I374 HydrophobicContact CG2-CG1 4.13Å; I374-K376 WeakPolarHBondContact O-CB 3.36Å; I374-K376 WeakPolarHBondContact O-CG 3.29Å; I374-K376 PolarHBondContact O-N 2.95Å; I374-T395 HydrophobicContact CG2-CG2 4.44Å
375	N	54.9	Low	63	Low	39 Å²	39	59.9 Å²	59.9	21%	0.209	29%	0.286	C	S	.	.	S	Bend	trans	40.6	34.6	167.1	-74.4	3.6	0	0	0	116.9	T395 G396 N397	N375-T395 PolarHBondContact ND2-N 3.12Å; N375-T395 PolarHBondContact ND2-OG1 2.76Å; N375-G396 PolarHBondContact ND2-N 3.06Å; N375-N397 PolarHBondContact ND2-N 2.91Å; N375-N397 VanDerWaalsContact ND2-N 3.18Å; N375-N397 PolarHBondContact OD1-O 2.84Å
376	K	62.4	Low	64.2	Low	144 Å²	144	55.8 Å²	55.8	63%	0.626	27%	0.265	S	S	*	.			trans	-122.1	146.2	-178.4	-79.1	177.3	-177.5	-177	0	110.4	I374 Y378	I374-K376 WeakPolarHBondContact O-CB 3.36Å; I374-K376 WeakPolarHBondContact O-CG 3.29Å; I374-K376 PolarHBondContact O-N 2.95Å; K376-Y378 PolarHBondContact O-N 3.24Å
377	L	61.3	Low	65.5	Low	89 Å²	89	51.8 Å²	51.8	47%	0.466	25%	0.25	S	C	.	.			trans	-58.9	127.7	168.6	-58.5	176.8	0	0	0	108.6	F482 L483 T487 L490	L377-F482 WeakPolarHBondContact CA-O 3Å; L377-L483 HydrophobicContact CD2-CB 4.48Å; L377-L483 HydrophobicContact CD2-CD2 3.95Å; L377-T487 HydrophobicContact CD2-CG2 4.19Å; L377-T487 WeakPolarHBondContact CD2-OG1 3.36Å; L377-L490 HydrophobicContact CD1-CD1 3.79Å; L377-L490 HydrophobicContact CD2-CD1 4.49Å
378	Y	69.7	Low	67	Low	23 Å²	23	49.5 Å²	49.5	9%	0.09	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.3	-177.9	-175.9	-89.1	0	0	0	109.7	K237 L371 K376 N380 Y480 F481 F482	K237-Y378 VanDerWaalsContact NZ-CE2 3.29Å; L371-Y378 HydrophobicContact CD1-CE1 3.85Å; L371-Y378 HydrophobicContact CD1-CE2 4.4Å; L371-Y378 WeakPolarHBondContact CD1-OH 3.47Å; L371-Y378 HydrophobicContact CD2-CE2 4.13Å; L371-Y378 VanDerWaalsContact CD2-OH 3.29Å; L371-Y378 WeakPolarHBondContact CD2-OH 3.49Å; K376-Y378 PolarHBondContact O-N 3.24Å; Y378-N380 HydrophobicContact CE1-CB 3.58Å; Y378-N380 PolarHBondContact OH-ND2 2.84Å; Y378-Y480 HydrophobicContact CD1-CE2 4.12Å; Y378-Y480 AromaticContact CE1-CE2 3.67Å; Y378-Y480 HydrophobicContact CE1-CE2 3.67Å; Y378-Y480 AromaticContact CE1-CZ 3.93Å; Y378-F481 CarbonylContact O-C 3.59Å; Y378-F481 WeakPolarHBondContact O-CA 3.43Å; Y378-F481 WeakPolarHBondContact O-CB 3.48Å; Y378-F482 HydrophobicContact CD1-CD2 4.12Å; Y378-F482 HydrophobicContact CD1-CE2 4.47Å; Y378-F482 HydrophobicContact CG-CD2 4.43Å; Y378-F482 PolarHBondContact N-O 3.28Å; Y378-F482 PolarHBondContact O-N 3.37Å
379	Y	75.9	Confident	68.2	Low	53 Å²	53	47 Å²	47	21%	0.208	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.4	178.3	175.3	-84.3	0	0	0	110	K237 R479 F481 K714 Y715	K237-Y379 PolarHBondContact NZ-O 3.29Å; Y379-R479 HydrophobicContact CE2-CB 4.47Å; Y379-R479 WeakPolarHBondContact OH-CD 3.49Å; Y379-F481 HydrophobicContact CD2-CB 4.31Å; Y379-F481 HydrophobicContact CD2-CD1 4.36Å; Y379-K714 HydrophobicContact CD2-CB 4.44Å; Y379-K714 HydrophobicContact CE2-CB 4.48Å; Y379-K714 WeakPolarHBondContact CE2-O 3.45Å; Y379-Y715 HydrophobicContact CD2-CD1 4.3Å; Y379-Y715 AromaticContact CD2-CE1 3.94Å; Y379-Y715 HydrophobicContact CD2-CE1 3.94Å
380	N	76.9	Confident	69.5	Low	23 Å²	23	44.6 Å²	44.6	12%	0.123	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	159.6	171.5	-159.2	6.5	0	0	0	112.7	Y378 R479 Y480	Y378-N380 HydrophobicContact CE1-CB 3.58Å; Y378-N380 PolarHBondContact OH-ND2 2.84Å; N380-R479 VanDerWaalsContact O-CA 3.32Å; N380-R479 WeakPolarHBondContact O-CA 3.37Å; N380-R479 WeakPolarHBondContact O-CB 3.37Å; N380-Y480 HydrophobicContact CB-CD1 4.34Å; N380-Y480 HydrophobicContact CB-CE1 3.58Å; N380-Y480 HydrophobicContact CB-CE2 4.32Å; N380-Y480 PolarHBondContact N-O 3.11Å; N380-Y480 PolarHBondContact ND2-OH 2.94Å; N380-Y480 VanDerWaalsContact ND2-OH 3.1Å; N380-Y480 PolarHBondContact O-N 3.48Å
381	Q	81.4	Confident	70.6	Confident	39 Å²	39	42.9 Å²	42.9	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	146.3	172.8	-68.1	-176	-9.8	0	0	110.6	Y383	Q381-Y383 HydrophobicContact CB-CE2 4.05Å; Q381-Y383 PolarHBondContact OE1-OH 2.93Å
382	F	83.1	Confident	71.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.6	172.6	-157.3	-53	0	0	0	108.8	S386 I388 Y403 L463 L465 V477 G478 Y480	F382-S386 VanDerWaalsContact CE1-O 3.25Å; F382-S386 WeakPolarHBondContact CE1-O 3.23Å; F382-S386 WeakPolarHBondContact CZ-O 3.44Å; F382-I388 HydrophobicContact CD2-CD1 3.31Å; F382-I388 HydrophobicContact CE2-CD1 3.25Å; F382-I388 HydrophobicContact CE2-CG1 4.17Å; F382-I388 HydrophobicContact CG-CD1 4.02Å; F382-I388 HydrophobicContact CZ-CD1 3.86Å; F382-I388 HydrophobicContact CZ-CG1 4.35Å; F382-Y403 HydrophobicContact CB-CE2 4Å; F382-Y403 HydrophobicContact CD2-CD2 4.21Å; F382-Y403 AromaticContact CD2-CE2 3.99Å; F382-Y403 HydrophobicContact CD2-CE2 3.99Å; F382-Y403 HydrophobicContact CG-CE2 4.12Å; F382-L463 HydrophobicContact CD2-CD2 3.99Å; F382-L463 HydrophobicContact CE2-CB 4.21Å; F382-L463 HydrophobicContact CE2-CD2 3.66Å; F382-L463 HydrophobicContact CE2-CG 3.71Å; F382-L465 HydrophobicContact CD1-CD1 3.3Å; F382-L465 HydrophobicContact CD1-CG 3.87Å; F382-L465 HydrophobicContact CE1-CB 4.25Å; F382-L465 HydrophobicContact CE1-CD1 3.42Å; F382-L465 VanDerWaalsContact CE1-CD1 3.42Å; F382-L465 HydrophobicContact CE1-CG 3.5Å; F382-L465 VanDerWaalsContact CE1-CG 3.5Å; F382-L465 HydrophobicContact CE2-CG 4.21Å; F382-L465 HydrophobicContact CG-CD1 3.99Å; F382-L465 HydrophobicContact CG-CG 4.47Å; F382-L465 HydrophobicContact CZ-CD1 4.11Å; F382-L465 HydrophobicContact CZ-CG 3.71Å; F382-V477 WeakPolarHBondContact O-CG2 3.4Å; F382-V477 PolarHBondContact O-N 2.88Å; F382-G478 PolarHBondContact N-O 3.29Å; F382-G478 PolarHBondContact O-N 2.99Å; F382-Y480 HydrophobicContact CB-CD1 4.22Å; F382-Y480 HydrophobicContact CD2-CD1 4.1Å
383	Y	81.6	Confident	71.9	Confident	61 Å²	61	40.1 Å²	40.1	24%	0.239	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.1	178.1	-59.1	-85.5	0	0	0	111.7	Q381 S386 R474 Q475 P476	Q381-Y383 HydrophobicContact CB-CE2 4.05Å; Q381-Y383 PolarHBondContact OE1-OH 2.93Å; Y383-S386 WeakPolarHBondContact O-CB 3.35Å; Y383-S386 PolarHBondContact O-N 2.92Å; Y383-S386 PolarHBondContact O-OG 3.26Å; Y383-R474 WeakPolarHBondContact CD1-O 3.43Å; Y383-Q475 CarbonylContact C-O 3.53Å; Y383-Q475 WeakPolarHBondContact CA-O 3.42Å; Y383-P476 HydrophobicContact CD1-CB 3.93Å; Y383-P476 HydrophobicContact CE1-CB 3.77Å; Y383-P476 HydrophobicContact CE1-CG 4.27Å
384	W	80.2	Confident	72.3	Confident	11 Å²	11	41.7 Å²	41.7	4%	0.042	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	141.6	175	-170.2	-112.2	0	0	0	111.3	S386 Y416 L465 G467 P469 F471 R474 Q475 V477	W384-S386 VanDerWaalsContact C-N 3.25Å; W384-S386 PolarHBondContact O-N 2.94Å; W384-Y416 AromaticContact CZ3-CD2 3.93Å; W384-Y416 HydrophobicContact CZ3-CD2 3.93Å; W384-Y416 HydrophobicContact CZ3-CG 4.13Å; W384-L465 HydrophobicContact CE3-CB 4.01Å; W384-L465 HydrophobicContact CE3-CD1 4Å; W384-L465 HydrophobicContact CH2-CB 4.3Å; W384-L465 HydrophobicContact CZ3-CB 3.57Å; W384-L465 HydrophobicContact CZ3-CD1 4.2Å; W384-L465 HydrophobicContact CZ3-CG 4.47Å; W384-G467 WeakPolarHBondContact CZ2-O 3.46Å; W384-P469 HydrophobicContact CD2-CG 4.07Å; W384-P469 HydrophobicContact CE3-CG 3.96Å; W384-P469 HydrophobicContact CH2-CG 3.38Å; W384-P469 HydrophobicContact CZ2-CG 3.49Å; W384-P469 VanDerWaalsContact CZ2-CG 3.49Å; W384-P469 HydrophobicContact CZ3-CG 3.59Å; W384-F471 HydrophobicContact CB-CB 4.21Å; W384-F471 HydrophobicContact CD2-CB 4.22Å; W384-F471 HydrophobicContact CD2-CD2 4.05Å; W384-F471 AromaticContact CE3-CD2 3.89Å; W384-F471 HydrophobicContact CE3-CD2 3.89Å; W384-F471 HydrophobicContact CG-CB 3.83Å; W384-F471 HydrophobicContact CG-CD2 4.41Å; W384-F471 HydrophobicContact CZ3-CD2 4.43Å; W384-R474 WeakPolarHBondContact O-CA 3.46Å; W384-R474 PolarHBondContact O-N 2.73Å; W384-Q475 PolarHBondContact N-O 3.49Å; W384-V477 HydrophobicContact CB-CG1 3.87Å; W384-V477 HydrophobicContact CB-CG2 4.32Å; W384-V477 HydrophobicContact CE3-CG2 4.31Å
385	N	73	Confident	72.6	Confident	71 Å²	71	42.7 Å²	42.7	38%	0.38	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	33.2	-173	-61.7	-17.8	0	0	0	114.4	N473	N385-N473 VanDerWaalsContact CB-OD1 3.3Å; N385-N473 WeakPolarHBondContact CB-OD1 3.49Å; N385-N473 PolarHBondContact ND2-OD1 2.99Å
386	S	71.5	Confident	72.8	Confident	12 Å²	12	43.8 Å²	43.8	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.6	169.9	70.8	0	0	0	0	110.6	F382 Y383 W384	F382-S386 VanDerWaalsContact CE1-O 3.25Å; F382-S386 WeakPolarHBondContact CE1-O 3.23Å; F382-S386 WeakPolarHBondContact CZ-O 3.44Å; Y383-S386 WeakPolarHBondContact O-CB 3.35Å; Y383-S386 PolarHBondContact O-N 2.92Å; Y383-S386 PolarHBondContact O-OG 3.26Å; W384-S386 VanDerWaalsContact C-N 3.25Å; W384-S386 PolarHBondContact O-N 2.94Å
387	N	73.4	Confident	72.9	Confident	10 Å²	10	42.6 Å²	42.6	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	175	-70	-11.3	0	0	0	108.5	Y366 H367 Y368 N369 Q464	Y366-N387 WeakPolarHBondContact CB-ND2 3.4Å; Y366-N387 HydrophobicContact CD1-CB 4.39Å; Y366-N387 WeakPolarHBondContact CD1-ND2 3.41Å; Y366-N387 WeakPolarHBondContact CD1-OD1 3.4Å; Y366-N387 WeakPolarHBondContact CD2-ND2 3.48Å; Y366-N387 HydrophobicContact CG-CB 4.34Å; H367-N387 PolarHBondContact O-N 3.13Å; Y368-N387 WeakPolarHBondContact CA-O 3.47Å; Y368-N387 HydrophobicContact CD1-CB 4.3Å; Y368-N387 HydrophobicContact CE1-CB 4.14Å; N369-N387 PolarHBondContact N-O 3.43Å; N387-Q464 WeakPolarHBondContact OD1-CB 3.14Å
388	I	77.8	Confident	73.4	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.5	177.8	-56	155.1	0	0	0	107.5	N369 L371 F382 F390 Y462 L463 Y480	N369-I388 HydrophobicContact CB-CG2 4.47Å; L371-I388 HydrophobicContact CD1-CG2 4.08Å; F382-I388 HydrophobicContact CD2-CD1 3.31Å; F382-I388 HydrophobicContact CE2-CD1 3.25Å; F382-I388 HydrophobicContact CE2-CG1 4.17Å; F382-I388 HydrophobicContact CG-CD1 4.02Å; F382-I388 HydrophobicContact CZ-CD1 3.86Å; F382-I388 HydrophobicContact CZ-CG1 4.35Å; I388-F390 HydrophobicContact CG2-CD1 4.02Å; I388-Y462 CarbonylContact O-C 3.52Å; I388-Y462 VanDerWaalsContact O-CA 3.29Å; I388-Y462 WeakPolarHBondContact O-CA 3.2Å; I388-L463 HydrophobicContact CB-CB 4.31Å; I388-L463 HydrophobicContact CD1-CB 4.48Å; I388-L463 HydrophobicContact CD1-CD2 4.15Å; I388-L463 PolarHBondContact N-O 3.45Å; I388-L463 PolarHBondContact O-N 2.84Å; I388-Y480 HydrophobicContact CD1-CD1 3.4Å; I388-Y480 VanDerWaalsContact CD1-CD1 3.4Å; I388-Y480 HydrophobicContact CD1-CD2 4.27Å; I388-Y480 HydrophobicContact CD1-CE1 3.13Å; I388-Y480 HydrophobicContact CD1-CE2 4.05Å; I388-Y480 HydrophobicContact CD1-CG 3.97Å; I388-Y480 VanDerWaalsContact CD1-CZ 3.48Å; I388-Y480 HydrophobicContact CG1-CE1 4.03Å; I388-Y480 HydrophobicContact CG2-CE2 4.01Å
389	L	75.5	Confident	73.8	Confident	24 Å²	24	40.4 Å²	40.4	13%	0.126	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.3	174.4	-177.6	165.4	0	0	0	108	Y368 N369 N370 L371 I460 Y461 Y462	Y368-L389 HydrophobicContact CD1-CB 4.23Å; Y368-L389 HydrophobicContact CD1-CD1 4.46Å; N369-L389 CarbonylContact C-O 3.55Å; N369-L389 CarbonylContact O-C 3.55Å; N369-L389 PolarHBondContact O-N 3.33Å; N369-L389 VanDerWaalsContact O-N 3.17Å; N370-L389 CarbonylContact C-O 3.5Å; N370-L389 VanDerWaalsContact CA-O 3.22Å; N370-L389 WeakPolarHBondContact CA-O 3.43Å; N370-L389 HydrophobicContact CB-CD2 4.4Å; N370-L389 WeakPolarHBondContact OD1-CB 3.35Å; N370-L389 WeakPolarHBondContact OD1-CD1 3.44Å; L371-L389 PolarHBondContact N-O 3.12Å; L389-I460 HydrophobicContact CD1-CG2 4.19Å; L389-I460 HydrophobicContact CD2-CG2 3.68Å; L389-I460 HydrophobicContact CG-CG2 3.77Å; L389-Y461 CarbonylContact C-O 3.53Å; L389-Y461 WeakPolarHBondContact CA-O 3.19Å; L389-Y462 HydrophobicContact CB-CD1 4.31Å; L389-Y462 HydrophobicContact CB-CE1 4.07Å; L389-Y462 HydrophobicContact CD1-CE1 3.56Å; L389-Y462 HydrophobicContact CD1-CE2 4.49Å; L389-Y462 WeakPolarHBondContact CD1-OH 3.31Å; L389-Y462 HydrophobicContact CG-CD1 4.46Å; L389-Y462 HydrophobicContact CG-CE1 3.89Å
390	F	78	Confident	74.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.6	175.1	53.6	-85.6	0	0	0	111.6	L371 I373 I388 L392 L401 L420 Y461 L463 F482	L371-F390 HydrophobicContact CB-CB 4.09Å; L371-F390 CarbonylContact O-C 3.54Å; L371-F390 WeakPolarHBondContact O-CA 3.33Å; L371-F390 WeakPolarHBondContact O-CB 3.32Å; I373-F390 HydrophobicContact CD1-CB 3.8Å; I373-F390 HydrophobicContact CD1-CD2 4.25Å; I373-F390 HydrophobicContact CD1-CG 4.15Å; I373-F390 HydrophobicContact CG1-CB 4.31Å; I388-F390 HydrophobicContact CG2-CD1 4.02Å; F390-L392 HydrophobicContact CD2-CD1 3.93Å; F390-L392 HydrophobicContact CD2-CG 3.99Å; F390-L392 HydrophobicContact CE2-CD1 3.76Å; F390-L392 HydrophobicContact CE2-CG 4.33Å; F390-L401 HydrophobicContact CE1-CD2 4.39Å; F390-L401 HydrophobicContact CZ-CD2 3.76Å; F390-L420 HydrophobicContact CE1-CD1 4.35Å; F390-L420 HydrophobicContact CZ-CD1 3.68Å; F390-Y461 HydrophobicContact CD2-CD2 4.44Å; F390-Y461 HydrophobicContact CD2-CG 4.46Å; F390-Y461 HydrophobicContact CE2-CD2 4.18Å; F390-Y461 AromaticContact CE2-CG 3.88Å; F390-Y461 HydrophobicContact CE2-CG 3.88Å; F390-Y461 HydrophobicContact CZ-CG 4.34Å; F390-Y461 PolarHBondContact N-O 3.48Å; F390-Y461 PolarHBondContact O-N 2.9Å; F390-L463 HydrophobicContact CE1-CB 4.03Å; F390-F482 HydrophobicContact CD1-CZ 4.43Å; F390-F482 HydrophobicContact CD2-CE1 4.29Å; F390-F482 AromaticContact CD2-CZ 3.75Å; F390-F482 HydrophobicContact CD2-CZ 3.75Å; F390-F482 HydrophobicContact CE1-CZ 4.4Å; F390-F482 HydrophobicContact CE2-CE1 4.07Å; F390-F482 AromaticContact CE2-CZ 3.71Å; F390-F482 HydrophobicContact CE2-CZ 3.71Å; F390-F482 HydrophobicContact CG-CZ 4.11Å; F390-F482 HydrophobicContact CZ-CZ 4.05Å
391	Q	74.6	Confident	74.8	Confident	72 Å²	72	38.1 Å²	38.1	34%	0.336	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.4	172.2	-175.8	174.5	-12.6	0	0	108.5	L371 I373 G459 I460	L371-Q391 PolarHBondContact O-N 2.9Å; I373-Q391 PolarHBondContact N-O 3.04Å; Q391-G459 WeakPolarHBondContact CA-O 3.31Å; Q391-I460 HydrophobicContact CB-CG1 4.37Å; Q391-I460 HydrophobicContact CG-CG1 4.27Å
392	L	75.4	Confident	75.3	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.3	175.7	-77.3	160.1	0	0	0	110	I373 F390 F394 L399 L454 N458 G459 Y461 F482	I373-L392 HydrophobicContact CB-CD2 3.93Å; I373-L392 HydrophobicContact CG2-CD2 3.99Å; F390-L392 HydrophobicContact CD2-CD1 3.93Å; F390-L392 HydrophobicContact CD2-CG 3.99Å; F390-L392 HydrophobicContact CE2-CD1 3.76Å; F390-L392 HydrophobicContact CE2-CG 4.33Å; L392-F394 HydrophobicContact CB-CD2 4.41Å; L392-F394 HydrophobicContact CB-CE2 3.98Å; L392-F394 HydrophobicContact CD1-CE2 4.39Å; L392-L399 HydrophobicContact CD2-CD1 4.24Å; L392-L454 HydrophobicContact CD1-CD1 3.65Å; L392-L454 HydrophobicContact CD1-CD2 3.57Å; L392-L454 HydrophobicContact CD1-CG 4.14Å; L392-N458 WeakPolarHBondContact O-CA 3.32Å; L392-G459 PolarHBondContact N-O 3.36Å; L392-G459 PolarHBondContact O-N 2.9Å; L392-Y461 HydrophobicContact CB-CD2 4.46Å; L392-Y461 HydrophobicContact CB-CE2 4.22Å; L392-Y461 HydrophobicContact CD1-CD2 3.75Å; L392-Y461 HydrophobicContact CD1-CE2 3.74Å; L392-Y461 HydrophobicContact CD1-CG 4.48Å; L392-Y461 HydrophobicContact CG-CD2 4.4Å; L392-Y461 HydrophobicContact CG-CE2 4.48Å; L392-F482 HydrophobicContact CD2-CE1 4.19Å
393	Q	70.7	Confident	75.7	Confident	78 Å²	78	37.2 Å²	37.2	36%	0.364	21%	0.207	S	C	.	.			trans	-116.9	98.6	170.3	-67.3	-178.5	-14.2	0	0	108.1	I373 T395	I373-Q393 PolarHBondContact O-N 2.88Å; Q393-T395 PolarHBondContact O-N 3.34Å
394	F	66.1	Low	76.3	Confident	41 Å²	41	34.3 Å²	34.3	18%	0.18	20%	0.196	C	C	.	.			trans	-71.6	116.1	176.4	-76.9	-89.7	0	0	0	109.9	L392 S456 G457 N458	L392-F394 HydrophobicContact CB-CD2 4.41Å; L392-F394 HydrophobicContact CB-CE2 3.98Å; L392-F394 HydrophobicContact CD1-CE2 4.39Å; F394-S456 VanDerWaalsContact CZ-CA 3.42Å; F394-G457 VanDerWaalsContact CD2-C 3.42Å; F394-G457 VanDerWaalsContact CE2-C 3.44Å; F394-G457 WeakPolarHBondContact CE2-O 3.13Å; F394-N458 VanDerWaalsContact CB-OD1 3.28Å; F394-N458 WeakPolarHBondContact CB-OD1 3.41Å; F394-N458 WeakPolarHBondContact CD2-OD1 3.26Å; F394-N458 PolarHBondContact N-OD1 3.1Å
395	T	60.8	Low	76.8	Confident	102 Å²	102	33.8 Å²	33.8	63%	0.626	19%	0.194	S	C	*	.	S	Bend	trans	-109.6	20.8	171.3	57.7	0	0	0	0	112.9	I374 N375 Q393	I374-T395 HydrophobicContact CG2-CG2 4.44Å; N375-T395 PolarHBondContact ND2-N 3.12Å; N375-T395 PolarHBondContact ND2-OG1 2.76Å; Q393-T395 PolarHBondContact O-N 3.34Å
396	G	60.3	Low	77.6	Confident	62 Å²	62	30.9 Å²	30.9	64%	0.639	18%	0.179	S	C	*	.	S	Bend	trans	129.1	-44.4	170.8	0	0	0	0	0	115.2	N375 P398	N375-G396 PolarHBondContact ND2-N 3.06Å; G396-P398 WeakPolarHBondContact O-CD 3.24Å
397	N	64.5	Low	78.3	Confident	118 Å²	118	32.5 Å²	32.5	63%	0.631	18%	0.183	S	C	*	.	S	Bend	trans	-84.5	121.6	-178.6	-71.4	-13	0	0	0	111.7	N375 L399	N375-N397 PolarHBondContact ND2-N 2.91Å; N375-N397 VanDerWaalsContact ND2-N 3.18Å; N375-N397 PolarHBondContact OD1-O 2.84Å; N397-L399 PolarHBondContact O-N 3.03Å
398	P	70.8	Confident	78.7	Confident	55 Å²	55	34 Å²	34	36%	0.357	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-65.9	127.9	176	25	-34	0	0	0	111.6	G396 I485	G396-P398 WeakPolarHBondContact O-CD 3.24Å; P398-I485 HydrophobicContact CB-CD1 3.72Å; P398-I485 HydrophobicContact CB-CG1 4.13Å; P398-I485 HydrophobicContact CG-CD1 3.18Å; P398-I485 HydrophobicContact CG-CG1 3.72Å
399	L	77.2	Confident	78.6	Confident	12 Å²	12	34.8 Å²	34.8	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	145.6	172.8	-72.1	169.8	0	0	0	110.6	I373 L392 N397 F482	I373-L399 HydrophobicContact CG2-CD1 3.85Å; L392-L399 HydrophobicContact CD2-CD1 4.24Å; N397-L399 PolarHBondContact O-N 3.03Å; L399-F482 HydrophobicContact CB-CD1 4.45Å; L399-F482 HydrophobicContact CD2-CB 4.49Å
400	Q	85.8	Confident	78	Confident	27 Å²	27	36.8 Å²	36.8	13%	0.126	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.8	173.2	-60.9	-170.9	7.7	0	0	109.5	Y402 R451 F482 L483 I485	Q400-Y402 HydrophobicContact CB-CD2 4.38Å; Q400-Y402 HydrophobicContact CB-CE2 3.63Å; Q400-Y402 PolarHBondContact OE1-OH 2.95Å; Q400-R451 VanDerWaalsContact OE1-NE 3.08Å; Q400-F482 WeakPolarHBondContact O-CA 3.39Å; Q400-L483 PolarHBondContact N-O 3.4Å; Q400-L483 PolarHBondContact O-N 2.82Å; Q400-I485 HydrophobicContact CG-CG1 4.46Å
401	L	88.7	Confident	77.4	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.7	174.2	171.6	62.8	0	0	0	109.7	F390 L420 M452 L454 L463 Y480 F482	F390-L401 HydrophobicContact CE1-CD2 4.39Å; F390-L401 HydrophobicContact CZ-CD2 3.76Å; L401-L420 HydrophobicContact CD2-CD1 4.1Å; L401-M452 HydrophobicContact CB-CB 4.1Å; L401-M452 HydrophobicContact CB-CG 4.44Å; L401-M452 HydrophobicContact CD2-CB 3.87Å; L401-M452 HydrophobicContact CD2-CG 3.86Å; L401-M452 HydrophobicContact CG-CB 3.84Å; L401-M452 HydrophobicContact CG-CG 3.7Å; L401-M452 WeakPolarHBondContact O-CB 3.42Å; L401-M452 PolarHBondContact O-N 3.35Å; L401-L454 HydrophobicContact CB-CB 4.08Å; L401-L454 HydrophobicContact CB-CD2 3.78Å; L401-L463 HydrophobicContact CD2-CD1 4.23Å; L401-L463 HydrophobicContact CD2-CD2 4.45Å; L401-Y480 HydrophobicContact CD1-CD2 4.4Å; L401-F482 HydrophobicContact CB-CD1 4.22Å; L401-F482 HydrophobicContact CB-CE1 3.91Å; L401-F482 HydrophobicContact CB-CZ 4.37Å; L401-F482 HydrophobicContact CD1-CD1 4.45Å; L401-F482 HydrophobicContact CD1-CD2 4.18Å; L401-F482 HydrophobicContact CD1-CE1 4.02Å; L401-F482 HydrophobicContact CD1-CE2 3.71Å; L401-F482 HydrophobicContact CD1-CZ 3.64Å; L401-F482 HydrophobicContact CD2-CZ 4.45Å; L401-F482 HydrophobicContact CG-CE1 4.4Å; L401-F482 HydrophobicContact CG-CZ 4.36Å
402	Y	91.7	Very high	77	Confident	21 Å²	21	45 Å²	45	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.3	173.4	-64.3	-89.3	0	0	0	110.9	Q400 V449 L450 R451 Y480 F481 L483 T488	Q400-Y402 HydrophobicContact CB-CD2 4.38Å; Q400-Y402 HydrophobicContact CB-CE2 3.63Å; Q400-Y402 PolarHBondContact OE1-OH 2.95Å; Y402-V449 HydrophobicContact CD1-CG1 3.72Å; Y402-V449 HydrophobicContact CG-CG1 4.18Å; Y402-L450 CarbonylContact C-O 3.57Å; Y402-L450 WeakPolarHBondContact CA-O 3.25Å; Y402-R451 HydrophobicContact CD1-CB 3.95Å; Y402-R451 HydrophobicContact CD1-CG 4.37Å; Y402-R451 HydrophobicContact CE1-CB 3.73Å; Y402-R451 HydrophobicContact CE1-CG 3.94Å; Y402-Y480 CarbonylContact O-C 3.55Å; Y402-Y480 WeakPolarHBondContact O-CA 3.13Å; Y402-F481 HydrophobicContact CD2-CD2 4.12Å; Y402-F481 AromaticContact CD2-CE2 3.92Å; Y402-F481 HydrophobicContact CD2-CE2 3.92Å; Y402-F481 HydrophobicContact CG-CD2 4.25Å; Y402-F481 AromaticContact CG-CE2 3.74Å; Y402-F481 HydrophobicContact CG-CE2 3.74Å; Y402-F481 HydrophobicContact CG-CZ 4.4Å; Y402-F481 PolarHBondContact N-O 3.23Å; Y402-F481 PolarHBondContact O-N 3.21Å; Y402-L483 HydrophobicContact CD2-CB 4.32Å; Y402-L483 HydrophobicContact CD2-CD1 4.05Å; Y402-L483 HydrophobicContact CD2-CG 4.06Å; Y402-L483 HydrophobicContact CE2-CB 3.91Å; Y402-L483 HydrophobicContact CE2-CD1 3.85Å; Y402-L483 HydrophobicContact CE2-CG 4.03Å; Y402-T488 WeakPolarHBondContact OH-CG2 3.41Å
403	Y	93	Very high	76.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.6	169	172.9	-104.3	0	0	0	109.3	F382 P405 I418 I444 L450 L465 R479	F382-Y403 HydrophobicContact CB-CE2 4Å; F382-Y403 HydrophobicContact CD2-CD2 4.21Å; F382-Y403 AromaticContact CD2-CE2 3.99Å; F382-Y403 HydrophobicContact CD2-CE2 3.99Å; F382-Y403 HydrophobicContact CG-CE2 4.12Å; Y403-P405 HydrophobicContact CE1-CB 3.98Å; Y403-P405 HydrophobicContact CE1-CG 4.13Å; Y403-I418 HydrophobicContact CD1-CB 4.43Å; Y403-I418 HydrophobicContact CD1-CD1 3.5Å; Y403-I418 VanDerWaalsContact CD1-CD1 3.5Å; Y403-I418 HydrophobicContact CD1-CG2 4.11Å; Y403-I418 HydrophobicContact CD2-CD1 3.34Å; Y403-I418 HydrophobicContact CE1-CB 4.5Å; Y403-I418 HydrophobicContact CE1-CD1 3.94Å; Y403-I418 HydrophobicContact CE1-CG2 4.49Å; Y403-I418 HydrophobicContact CE2-CD1 3.8Å; Y403-I418 HydrophobicContact CG-CD1 3.16Å; Y403-I444 HydrophobicContact CD1-CD1 4.03Å; Y403-I444 HydrophobicContact CE1-CD1 3.68Å; Y403-I444 HydrophobicContact CE1-CG1 4.18Å; Y403-L450 HydrophobicContact CD1-CD1 4.35Å; Y403-L450 PolarHBondContact N-O 2.74Å; Y403-L450 PolarHBondContact O-N 2.91Å; Y403-L465 HydrophobicContact CE1-CD2 4.47Å; Y403-L465 HydrophobicContact CE2-CD2 4.37Å; Y403-R479 CarbonylContact C-O 3.57Å; Y403-R479 WeakPolarHBondContact CA-O 3.25Å; Y403-R479 VanDerWaalsContact CD2-O 3.28Å; Y403-R479 WeakPolarHBondContact CD2-O 3.44Å
404	Q	93.3	Very high	76.2	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.1	171.1	-172.8	-176.9	-6.9	0	0	109.7	C406 V449 G478 R479 F481	Q404-C406 PolarHBondContact O-N 2.89Å; Q404-V449 HydrophobicContact CB-CG2 4.07Å; Q404-V449 HydrophobicContact CG-CG2 3.92Å; Q404-G478 CarbonylContact O-C 3.53Å; Q404-G478 WeakPolarHBondContact O-CA 3.21Å; Q404-R479 HydrophobicContact CB-CG 3.94Å; Q404-R479 PolarHBondContact N-O 3.47Å; Q404-R479 PolarHBondContact O-N 3.03Å; Q404-F481 HydrophobicContact CB-CE1 4.39Å
405	P	91.6	Very high	76.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.2	170.6	23.4	-20.8	0	0	0	110	Y403 L408 Y416 I444 S446 R448	Y403-P405 HydrophobicContact CE1-CB 3.98Å; Y403-P405 HydrophobicContact CE1-CG 4.13Å; P405-L408 HydrophobicContact CB-CD2 4.3Å; P405-L408 HydrophobicContact CG-CD2 4.48Å; P405-Y416 WeakPolarHBondContact CB-OH 3.2Å; P405-I444 HydrophobicContact CB-CG2 3.72Å; P405-I444 HydrophobicContact CG-CG2 3.61Å; P405-S446 WeakPolarHBondContact CG-O 3.46Å; P405-R448 WeakPolarHBondContact CD-O 3.43Å
406	C	89.5	Confident	77.9	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.061	27%	0.27	C	S	.	.	S	Bend	trans	-97.1	-25.2	179.4	-56.6	0	0	0	0	111.4	Q404 V477 N652 Y653 C654	Q404-C406 PolarHBondContact O-N 2.89Å; C406-V477 PolarHBondContact N-O 3.09Å; C406-N652 CarbonylContact O-C 3.45Å; C406-N652 WeakPolarHBondContact O-CA 3.47Å; C406-Y653 WeakPolarHBondContact O-CD2 3.39Å; C406-Y653 PolarHBondContact O-N 2.69Å; C406-C654 WeakPolarHBondContact CA-SG 3.19Å; C406-C654 HydrophobicContact CB-CB 3.7Å; C406-C654 WeakPolarHBondContact CB-SG 3.48Å; C406-C654 WeakPolarHBondContact SG-CB 2.97Å; C406-C654 CovalentContact SG-SG 2.03Å; C406-C654 PolarHBondContact SG-SG 3.02Å
407	Y	85.6	Confident	79.3	Confident	46 Å²	46	47.8 Å²	47.8	18%	0.18	25%	0.248	C	C	.	.			trans	-125.7	141	173.4	-62.6	-89.2	0	0	0	109.8	Y416 P476 V477 T651 N652	Y407-Y416 PolarHBondContact O-OH 2.92Å; Y407-Y416 VanDerWaalsContact O-OH 3.1Å; Y407-P476 WeakPolarHBondContact CD2-O 3.33Å; Y407-P476 WeakPolarHBondContact CE2-O 3.5Å; Y407-V477 PolarHBondContact N-O 3.28Å; Y407-T651 VanDerWaalsContact CD1-O 3.29Å; Y407-T651 WeakPolarHBondContact CD1-O 3.33Å; Y407-T651 WeakPolarHBondContact CE1-O 3.21Å; Y407-N652 HydrophobicContact CE1-CB 3.99Å; Y407-N652 PolarHBondContact OH-ND2 2.83Å
408	L	82.7	Confident	80.6	Confident	41 Å²	41	42.1 Å²	42.1	22%	0.215	22%	0.218	C	C	.	.			trans	-111.9	151.6	173.8	-65.5	178.9	0	0	0	108.7	P405 I444 H447 Y653	P405-L408 HydrophobicContact CB-CD2 4.3Å; P405-L408 HydrophobicContact CG-CD2 4.48Å; L408-I444 HydrophobicContact CD2-CG2 3.94Å; L408-H447 HydrophobicContact CD1-CB 4.26Å; L408-Y653 HydrophobicContact CB-CE2 4.29Å; L408-Y653 HydrophobicContact CD1-CD2 4.5Å; L408-Y653 HydrophobicContact CD1-CE2 3.7Å; L408-Y653 HydrophobicContact CG-CD2 4.35Å; L408-Y653 HydrophobicContact CG-CE2 3.78Å
409	P	73.8	Confident	81.6	Confident	20 Å²	20	39.6 Å²	39.6	13%	0.13	20%	0.202	C	C	.	.			trans	-67.5	140.1	177.7	23.4	-18	0	0	0	108.8	N411 F414 Y416 P469 F471	P409-N411 VanDerWaalsContact C-N 3.32Å; P409-N411 PolarHBondContact O-N 2.87Å; P409-F414 HydrophobicContact CB-CB 4.14Å; P409-F414 WeakPolarHBondContact CB-O 3.07Å; P409-F414 WeakPolarHBondContact CG-O 3.23Å; P409-Y416 HydrophobicContact CG-CD1 4.29Å; P409-Y416 HydrophobicContact CG-CE1 4.36Å; P409-P469 HydrophobicContact CB-CB 4.14Å; P409-F471 HydrophobicContact CB-CZ 4.48Å
410	S	64.6	Low	82.2	Confident	66 Å²	66	39 Å²	39	46%	0.462	20%	0.199	S	C	.	.	S	Bend	trans	-59.4	-43.1	-177.5	46.7	0	0	0	0	112.5	N648	S410-N648 WeakPolarHBondContact CA-OD1 3.05Å; S410-N648 WeakPolarHBondContact CB-OD1 3.36Å; S410-N648 PolarHBondContact O-OD1 2.84Å
411	N	65.7	Low	82.4	Confident	66 Å²	66	38.2 Å²	38.2	35%	0.353	20%	0.195	S	C	.	.	S	Bend	trans	-101.5	121.7	177	-179.8	-6.4	0	0	0	109.6	P409 L413 F414	P409-N411 VanDerWaalsContact C-N 3.32Å; P409-N411 PolarHBondContact O-N 2.87Å; N411-L413 PolarHBondContact O-N 3.37Å; N411-L413 WeakPolarHBondContact OD1-CB 3.42Å; N411-L413 VanDerWaalsContact OD1-CG 3.31Å; N411-L413 WeakPolarHBondContact OD1-CG 3.18Å; N411-L413 PolarHBondContact OD1-N 3.45Å; N411-F414 HydrophobicContact CB-CD2 3.69Å; N411-F414 HydrophobicContact CB-CE2 3.84Å; N411-F414 PolarHBondContact O-N 2.57Å
412	K	64.9	Low	82.2	Confident	177 Å²	177	41.2 Å²	41.2	77%	0.77	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.4	179.3	-65.3	-175.6	178.7	-179	0	114	F414 N415	K412-F414 VanDerWaalsContact C-N 3.34Å; K412-N415 PolarHBondContact O-OD1 2.85Å
413	L	62.9	Low	81.6	Confident	144 Å²	144	42.9 Å²	42.9	75%	0.754	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-28.1	170.5	-65.2	173.7	0	0	0	112.5	N411 N415	N411-L413 PolarHBondContact O-N 3.37Å; N411-L413 WeakPolarHBondContact OD1-CB 3.42Å; N411-L413 VanDerWaalsContact OD1-CG 3.31Å; N411-L413 WeakPolarHBondContact OD1-CG 3.18Å; N411-L413 PolarHBondContact OD1-N 3.45Å; L413-N415 PolarHBondContact O-N 2.89Å
414	F	66.7	Low	80.5	Confident	65 Å²	65	47 Å²	47	29%	0.285	24%	0.238	S	C	.	.			trans	-86.2	101.3	177.2	-59.5	-67.3	0	0	0	109.7	P409 N411 K412 N468 N470	P409-F414 HydrophobicContact CB-CB 4.14Å; P409-F414 WeakPolarHBondContact CB-O 3.07Å; P409-F414 WeakPolarHBondContact CG-O 3.23Å; N411-F414 HydrophobicContact CB-CD2 3.69Å; N411-F414 HydrophobicContact CB-CE2 3.84Å; N411-F414 PolarHBondContact O-N 2.57Å; K412-F414 VanDerWaalsContact C-N 3.34Å; F414-N468 VanDerWaalsContact CD1-O 3.32Å; F414-N468 WeakPolarHBondContact CD1-O 3.07Å; F414-N470 WeakPolarHBondContact CE2-ND2 3.46Å; F414-N470 WeakPolarHBondContact CZ-ND2 3.19Å
415	N	74.2	Confident	78.9	Confident	105 Å²	105	53.9 Å²	53.9	56%	0.561	28%	0.28	S	S	*	.			trans	-96.4	144.3	174.6	-67.4	-30.6	0	0	0	110.2	K412 L413	K412-N415 PolarHBondContact O-OD1 2.85Å; L413-N415 PolarHBondContact O-N 2.89Å
416	Y	87.6	Confident	76.8	Confident	1 Å²	1	57.4 Å²	57.4	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.2	166.9	73.4	-86	0	0	0	109.1	W384 P405 Y407 P409 I444 L465 N466 P469 F471	W384-Y416 AromaticContact CZ3-CD2 3.93Å; W384-Y416 HydrophobicContact CZ3-CD2 3.93Å; W384-Y416 HydrophobicContact CZ3-CG 4.13Å; P405-Y416 WeakPolarHBondContact CB-OH 3.2Å; Y407-Y416 PolarHBondContact O-OH 2.92Å; Y407-Y416 VanDerWaalsContact O-OH 3.1Å; P409-Y416 HydrophobicContact CG-CD1 4.29Å; P409-Y416 HydrophobicContact CG-CE1 4.36Å; Y416-I444 HydrophobicContact CD1-CB 4.3Å; Y416-I444 HydrophobicContact CD2-CB 4.05Å; Y416-I444 HydrophobicContact CD2-CG1 3.84Å; Y416-I444 HydrophobicContact CE1-CB 3.97Å; Y416-I444 HydrophobicContact CE1-CG2 3.82Å; Y416-I444 HydrophobicContact CE2-CB 3.71Å; Y416-I444 HydrophobicContact CE2-CG1 3.49Å; Y416-I444 VanDerWaalsContact CE2-CG1 3.49Å; Y416-I444 HydrophobicContact CE2-CG2 3.91Å; Y416-I444 HydrophobicContact CG-CB 4.35Å; Y416-I444 VanDerWaalsContact CZ-CG2 3.42Å; Y416-I444 WeakPolarHBondContact O-CB 3.29Å; Y416-I444 PolarHBondContact O-N 3.28Å; Y416-I444 WeakPolarHBondContact OH-CG2 3.49Å; Y416-L465 HydrophobicContact CD2-CD2 4.13Å; Y416-L465 HydrophobicContact CE2-CD2 4.03Å; Y416-N466 CarbonylContact C-O 3.45Å; Y416-N466 WeakPolarHBondContact CA-O 3.23Å; Y416-N466 VanDerWaalsContact CB-O 3.26Å; Y416-N466 WeakPolarHBondContact CB-O 3.39Å; Y416-P469 HydrophobicContact CD1-CB 3.84Å; Y416-P469 HydrophobicContact CD1-CG 4.22Å; Y416-P469 HydrophobicContact CG-CB 4.33Å; Y416-P469 HydrophobicContact CG-CG 4.27Å; Y416-F471 HydrophobicContact CD1-CE2 4.06Å; Y416-F471 AromaticContact CE1-CE2 3.68Å; Y416-F471 HydrophobicContact CE1-CE2 3.68Å; Y416-F471 HydrophobicContact CE1-CZ 4.08Å
417	T	90.4	Very high	74.6	Confident	30 Å²	30	66.5 Å²	66.5	18%	0.184	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.8	-179.2	62.5	0	0	0	0	109.7	E441 Y442 L465 N466	T417-E441 WeakPolarHBondContact CB-OE1 3.05Å; T417-E441 HydrophobicContact CG2-CG 4.22Å; T417-E441 WeakPolarHBondContact CG2-OE1 3.2Å; T417-E441 PolarHBondContact OG1-OE1 3.46Å; T417-Y442 CarbonylContact C-O 3.46Å; T417-Y442 VanDerWaalsContact CA-O 3.23Å; T417-Y442 WeakPolarHBondContact CA-O 3.4Å; T417-L465 WeakPolarHBondContact O-CA 3.33Å; T417-N466 PolarHBondContact N-O 3.37Å; T417-N466 PolarHBondContact O-N 3.12Å
418	I	92.4	Very high	72.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.3	165.6	-172.6	167	0	0	0	108.7	Y403 E441 Y442 I444 L450 M452 L463 Q464 L465	Y403-I418 HydrophobicContact CD1-CB 4.43Å; Y403-I418 HydrophobicContact CD1-CD1 3.5Å; Y403-I418 VanDerWaalsContact CD1-CD1 3.5Å; Y403-I418 HydrophobicContact CD1-CG2 4.11Å; Y403-I418 HydrophobicContact CD2-CD1 3.34Å; Y403-I418 HydrophobicContact CE1-CB 4.5Å; Y403-I418 HydrophobicContact CE1-CD1 3.94Å; Y403-I418 HydrophobicContact CE1-CG2 4.49Å; Y403-I418 HydrophobicContact CE2-CD1 3.8Å; Y403-I418 HydrophobicContact CG-CD1 3.16Å; I418-E441 CarbonylContact O-C 3.58Å; I418-E441 VanDerWaalsContact O-CA 3.3Å; I418-E441 WeakPolarHBondContact O-CA 3.39Å; I418-Y442 HydrophobicContact CG2-CD2 4.46Å; I418-Y442 PolarHBondContact N-O 2.79Å; I418-Y442 PolarHBondContact O-N 2.84Å; I418-I444 HydrophobicContact CB-CD1 4.36Å; I418-I444 HydrophobicContact CG2-CD1 3.7Å; I418-I444 HydrophobicContact CG2-CG1 4.4Å; I418-L450 HydrophobicContact CG2-CD1 4.39Å; I418-M452 HydrophobicContact CD1-CE 4.36Å; I418-M452 HydrophobicContact CD1-SD 4.34Å; I418-M452 HydrophobicContact CG1-CE 4.12Å; I418-M452 HydrophobicContact CG2-CE 4.05Å; I418-M452 HydrophobicContact CG2-SD 4.14Å; I418-L463 HydrophobicContact CD1-CD1 3.78Å; I418-L463 HydrophobicContact CD1-CD2 4.07Å; I418-L463 HydrophobicContact CD1-CG 3.92Å; I418-L463 HydrophobicContact CG1-CD1 3.84Å; I418-L463 HydrophobicContact CG1-CG 4.18Å; I418-Q464 WeakPolarHBondContact CA-O 3.5Å; I418-L465 HydrophobicContact CB-CD2 3.63Å; I418-L465 HydrophobicContact CD1-CD2 3.98Å; I418-L465 HydrophobicContact CG1-CD2 3.77Å
419	S	91	Very high	70.5	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.007	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.1	176.7	52.6	0	0	0	0	111.5	C440 L463 Q464 N466	S419-C440 WeakPolarHBondContact CA-O 3.49Å; S419-L463 WeakPolarHBondContact O-CA 3.22Å; S419-Q464 PolarHBondContact N-O 3.12Å; S419-Q464 PolarHBondContact O-N 3.4Å; S419-Q464 WeakPolarHBondContact OG-CG 3.43Å; S419-Q464 PolarHBondContact OG-NE2 3.36Å; S419-N466 PolarHBondContact OG-ND2 2.95Å
420	L	91.3	Very high	69	Low	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.7	171.8	177.4	67.6	0	0	0	107.9	F390 L401 L439 C440 M452 L454 Y461 Y462 L463	F390-L420 HydrophobicContact CE1-CD1 4.35Å; F390-L420 HydrophobicContact CZ-CD1 3.68Å; L401-L420 HydrophobicContact CD2-CD1 4.1Å; L420-L439 HydrophobicContact CD2-CD1 4.09Å; L420-L439 HydrophobicContact CG-CD1 4.22Å; L420-L439 WeakPolarHBondContact O-CB 3.42Å; L420-L439 PolarHBondContact O-N 2.68Å; L420-C440 PolarHBondContact N-O 3.36Å; L420-C440 PolarHBondContact O-N 3.18Å; L420-M452 HydrophobicContact CB-CE 4.07Å; L420-M452 HydrophobicContact CD2-CB 4.47Å; L420-L454 HydrophobicContact CD2-CB 4.08Å; L420-L454 HydrophobicContact CD2-CD1 4.32Å; L420-Y461 HydrophobicContact CD1-CD1 4.33Å; L420-Y462 CarbonylContact C-O 3.5Å; L420-Y462 WeakPolarHBondContact CA-O 3.42Å; L420-L463 HydrophobicContact CB-CD1 4.24Å; L420-L463 HydrophobicContact CD1-CD1 4.21Å
421	L	88.4	Confident	67.8	Low	10 Å²	10	78.1 Å²	78.1	5%	0.052	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.3	176.8	-45.3	99.9	0	0	0	110.9	L436 Q437 T438 Y461 Y462 Q464	L421-L436 HydrophobicContact CB-CB 4.33Å; L421-L436 HydrophobicContact CD2-CB 4.09Å; L421-Q437 CarbonylContact C-O 3.47Å; L421-Q437 WeakPolarHBondContact CA-O 3.46Å; L421-T438 VanDerWaalsContact CD2-OG1 3.31Å; L421-T438 WeakPolarHBondContact CD2-OG1 3.38Å; L421-Y461 CarbonylContact O-C 3.59Å; L421-Y461 VanDerWaalsContact O-CA 3.23Å; L421-Y461 WeakPolarHBondContact O-CA 3.33Å; L421-Y462 PolarHBondContact N-O 2.79Å; L421-Y462 PolarHBondContact O-N 3.43Å; L421-Q464 VanDerWaalsContact CD1-CD 3.49Å; L421-Q464 HydrophobicContact CD1-CG 3.77Å
422	K	85.4	Confident	66.8	Low	64 Å²	64	78.1 Å²	78.1	28%	0.278	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.9	174	-172.7	177.8	-178.9	-179	0	109.8	L424 Q437 L439 Y461	K422-L424 PolarHBondContact O-N 2.96Å; K422-Q437 PolarHBondContact N-O 3.26Å; K422-Q437 PolarHBondContact O-N 3.04Å; K422-L439 HydrophobicContact CB-CD1 3.99Å; K422-L439 HydrophobicContact CB-CD2 4.14Å; K422-L439 HydrophobicContact CB-CG 4.08Å; K422-Y461 HydrophobicContact CB-CD1 4.15Å; K422-Y461 HydrophobicContact CB-CE1 4.15Å; K422-Y461 HydrophobicContact CD-CE1 4.04Å; K422-Y461 HydrophobicContact CG-CD1 4.26Å; K422-Y461 HydrophobicContact CG-CE1 3.98Å
423	K	78.1	Confident	66.1	Low	56 Å²	56	76 Å²	76	24%	0.243	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.3	171.3	-162.8	173.9	176.9	177	0	109.6	L436 I460 Y462	K423-L436 HydrophobicContact CB-CD2 4.43Å; K423-I460 HydrophobicContact CB-CB 4Å; K423-I460 HydrophobicContact CB-CG2 4.32Å; K423-I460 HydrophobicContact CD-CB 4.38Å; K423-I460 HydrophobicContact CD-CD1 4.19Å; K423-I460 HydrophobicContact CD-CG2 4.39Å; K423-I460 PolarHBondContact N-O 2.77Å; K423-Y462 HydrophobicContact CB-CE2 4.14Å
424	L	71.5	Confident	65.4	Low	86 Å²	86	73.2 Å²	73.2	45%	0.45	41%	0.406	S	S	.	.			trans	-77.3	125.5	169.4	-65	170.3	0	0	0	108.3	K422 S426 N435 Q437	K422-L424 PolarHBondContact O-N 2.96Å; L424-S426 VanDerWaalsContact C-N 3.31Å; L424-S426 PolarHBondContact O-N 2.89Å; L424-N435 PolarHBondContact N-O 2.81Å; L424-Q437 HydrophobicContact CD1-CB 4.29Å; L424-Q437 HydrophobicContact CD2-CB 4.42Å; L424-Q437 HydrophobicContact CG-CB 4.25Å
425	T	58.5	Low	65.3	Low	144 Å²	144	71.4 Å²	71.4	88%	0.883	40%	0.399	S	S	*	.			trans	-71.6	84.6	176.1	41	0	0	0	0	109.9
426	S	47	Very low	65.4	Low	75 Å²	75	68.5 Å²	68.5	52%	0.524	38%	0.383	S	S	.	.			trans	-88.3	118.8	155.1	-175.2	0	0	0	0	107.8	L424 N428	L424-S426 VanDerWaalsContact C-N 3.31Å; L424-S426 PolarHBondContact O-N 2.89Å; S426-N428 PolarHBondContact O-N 3.1Å; S426-N428 VanDerWaalsContact O-N 3.1Å
427	K	44	Very low	65.1	Low	199 Å²	199	73.3 Å²	73.3	87%	0.865	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	115	173.8	-71.4	179.4	177.2	178.5	0	107.1
428	N	41.6	Very low	64.9	Low	168 Å²	168	75.4 Å²	75.4	90%	0.898	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	13.1	168.9	-55.9	-10.9	0	0	0	120.5	S426	S426-N428 PolarHBondContact O-N 3.1Å; S426-N428 VanDerWaalsContact O-N 3.1Å
429	S	40.2	Very low	64.7	Low	43 Å²	43	78.5 Å²	78.5	30%	0.301	44%	0.435	S	S	.	.			trans	-94.6	125.6	170.7	62.8	0	0	0	0	112.4	N435	S429-N435 PolarHBondContact OG-ND2 3.01Å
430	T	43.9	Very low	64.7	Low	119 Å²	119	79.3 Å²	79.3	73%	0.73	44%	0.44	S	S	*	.			trans	-47.8	153.6	161.8	46.8	0	0	0	0	111.2	T432	T430-T432 PolarHBondContact O-N 2.86Å
431	M	39.3	Very low	64.8	Low	88 Å²	88	84 Å²	84	43%	0.433	46%	0.462	S	S	.	.			trans	-63.6	90	-176.7	-80.9	-120.2	68.6	0	0	111.9	L436 Y462	M431-L436 HydrophobicContact CE-CD2 4.28Å; M431-Y462 HydrophobicContact CE-CE1 4.41Å; M431-Y462 HydrophobicContact CE-CE2 4.37Å; M431-Y462 WeakPolarHBondContact CE-OH 3.5Å; M431-Y462 HydrophobicContact SD-CE1 4.42Å; M431-Y462 PolarHBondContact SD-OH 3.25Å
432	T	44.3	Very low	65	Low	65 Å²	65	87.2 Å²	87.2	40%	0.399	47%	0.474	S	S	.	.			trans	-101.3	148.2	162.2	54.8	0	0	0	0	109.6	T430 S434 N435	T430-T432 PolarHBondContact O-N 2.86Å; T432-S434 PolarHBondContact O-N 2.79Å; T432-S434 PolarHBondContact OG1-OG 2.05Å; T432-N435 PolarHBondContact O-N 2.93Å
433	T	49.2	Very low	65.2	Low	132 Å²	132	88 Å²	88	81%	0.81	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-55.7	-21.7	178.5	45.9	0	0	0	0	113.3	N435	T433-N435 PolarHBondContact O-N 2.78Å
434	S	48.7	Very low	65.7	Low	87 Å²	87	85.6 Å²	85.6	61%	0.608	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-63.4	-18	177.2	59.4	0	0	0	0	114.8	T432	T432-S434 PolarHBondContact O-N 2.79Å; T432-S434 PolarHBondContact OG1-OG 2.05Å
435	N	64.7	Low	66.3	Low	27 Å²	27	87.5 Å²	87.5	14%	0.144	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-97	11.5	-173	-64.8	-17.2	0	0	0	114.2	L424 S429 T432 T433	L424-N435 PolarHBondContact N-O 2.81Å; S429-N435 PolarHBondContact OG-ND2 3.01Å; T432-N435 PolarHBondContact O-N 2.93Å; T433-N435 PolarHBondContact O-N 2.78Å
436	L	75.2	Confident	67.5	Low	44 Å²	44	82.1 Å²	82.1	23%	0.23	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.1	-176.7	-61.6	177.2	0	0	0	110.3	L421 K423 M431 Y462	L421-L436 HydrophobicContact CB-CB 4.33Å; L421-L436 HydrophobicContact CD2-CB 4.09Å; K423-L436 HydrophobicContact CB-CD2 4.43Å; M431-L436 HydrophobicContact CE-CD2 4.28Å; L436-Y462 HydrophobicContact CD2-CD2 3.42Å; L436-Y462 VanDerWaalsContact CD2-CD2 3.42Å; L436-Y462 HydrophobicContact CD2-CE2 3.37Å; L436-Y462 HydrophobicContact CD2-CG 4.22Å
437	Q	82.7	Confident	69.3	Low	101 Å²	101	79.5 Å²	79.5	47%	0.472	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.9	173.4	-175.6	-177.9	11.4	0	0	109.7	L421 K422 L424 L439	L421-Q437 CarbonylContact C-O 3.47Å; L421-Q437 WeakPolarHBondContact CA-O 3.46Å; K422-Q437 PolarHBondContact N-O 3.26Å; K422-Q437 PolarHBondContact O-N 3.04Å; L424-Q437 HydrophobicContact CD1-CB 4.29Å; L424-Q437 HydrophobicContact CD2-CB 4.42Å; L424-Q437 HydrophobicContact CG-CB 4.25Å; Q437-L439 PolarHBondContact O-N 3.07Å
438	T	86.4	Confident	71.3	Confident	74 Å²	74	78.5 Å²	78.5	45%	0.454	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	123.4	171.6	-52.3	0	0	0	0	109.9	L421	L421-T438 VanDerWaalsContact CD2-OG1 3.31Å; L421-T438 WeakPolarHBondContact CD2-OG1 3.38Å
439	L	88.1	Confident	73.6	Confident	65 Å²	65	72.2 Å²	72.2	34%	0.34	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-44.9	177.2	-62.6	-177.5	0	0	0	111.8	L420 K422 Q437 C453 Y461	L420-L439 HydrophobicContact CD2-CD1 4.09Å; L420-L439 HydrophobicContact CG-CD1 4.22Å; L420-L439 WeakPolarHBondContact O-CB 3.42Å; L420-L439 PolarHBondContact O-N 2.68Å; K422-L439 HydrophobicContact CB-CD1 3.99Å; K422-L439 HydrophobicContact CB-CD2 4.14Å; K422-L439 HydrophobicContact CB-CG 4.08Å; Q437-L439 PolarHBondContact O-N 3.07Å; L439-C453 VanDerWaalsContact C-SG 3.52Å; L439-C453 VanDerWaalsContact CB-SG 3.58Å; L439-Y461 HydrophobicContact CD1-CD1 3.93Å; L439-Y461 HydrophobicContact CD1-CE1 3.65Å
440	C	91.2	Very high	76	Confident	18 Å²	18	72 Å²	72	12%	0.122	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.8	173.6	51.4	0	0	0	0	110.8	S419 L420 Y442 C453	S419-C440 WeakPolarHBondContact CA-O 3.49Å; L420-C440 PolarHBondContact N-O 3.36Å; L420-C440 PolarHBondContact O-N 3.18Å; C440-Y442 HydrophobicContact CB-CE2 3.98Å; C440-Y442 VanDerWaalsContact SG-CE2 3.59Å; C440-C453 HydrophobicContact CB-CB 3.55Å; C440-C453 WeakPolarHBondContact CB-SG 3.27Å; C440-C453 PolarHBondContact N-SG 2.75Å; C440-C453 VanDerWaalsContact N-SG 3.38Å; C440-C453 WeakPolarHBondContact SG-CB 3.32Å; C440-C453 PolarHBondContact SG-N 3.05Å; C440-C453 VanDerWaalsContact SG-N 3.37Å; C440-C453 CovalentContact SG-SG 2Å; C440-C453 PolarHBondContact SG-SG 2.86Å
441	E	92.7	Very high	78.2	Confident	100 Å²	100	73.1 Å²	73.1	47%	0.467	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.8	174.3	-175.6	168.3	-173.7	0	0	108.8	T417 I418	T417-E441 WeakPolarHBondContact CB-OE1 3.05Å; T417-E441 HydrophobicContact CG2-CG 4.22Å; T417-E441 WeakPolarHBondContact CG2-OE1 3.2Å; T417-E441 PolarHBondContact OG1-OE1 3.46Å; I418-E441 CarbonylContact O-C 3.58Å; I418-E441 VanDerWaalsContact O-CA 3.3Å; I418-E441 WeakPolarHBondContact O-CA 3.39Å
442	Y	91.9	Very high	80.7	Confident	76 Å²	76	69.1 Å²	69.1	30%	0.298	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.8	179.3	-62.3	-72.9	0	0	0	110.4	T417 I418 C440 M452	T417-Y442 CarbonylContact C-O 3.46Å; T417-Y442 VanDerWaalsContact CA-O 3.23Å; T417-Y442 WeakPolarHBondContact CA-O 3.4Å; I418-Y442 HydrophobicContact CG2-CD2 4.46Å; I418-Y442 PolarHBondContact N-O 2.79Å; I418-Y442 PolarHBondContact O-N 2.84Å; C440-Y442 HydrophobicContact CB-CE2 3.98Å; C440-Y442 VanDerWaalsContact SG-CE2 3.59Å; Y442-M452 HydrophobicContact CD2-CE 3.79Å; Y442-M452 HydrophobicContact CD2-SD 3.89Å; Y442-M452 HydrophobicContact CE2-CE 4.01Å; Y442-M452 HydrophobicContact CE2-SD 4.1Å
443	P	90.8	Very high	82.8	Confident	81 Å²	81	67.6 Å²	67.6	53%	0.526	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	132.3	169.2	29.6	-32.8	0	0	0	110.3	N445	P443-N445 PolarHBondContact O-N 2.92Å
444	I	88.4	Confident	84.5	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	31%	0.313	C	S	.	.			trans	-90.7	96.3	177.2	-55.8	-54.9	0	0	0	109.6	Y403 P405 L408 Y416 I418 L450	Y403-I444 HydrophobicContact CD1-CD1 4.03Å; Y403-I444 HydrophobicContact CE1-CD1 3.68Å; Y403-I444 HydrophobicContact CE1-CG1 4.18Å; P405-I444 HydrophobicContact CB-CG2 3.72Å; P405-I444 HydrophobicContact CG-CG2 3.61Å; L408-I444 HydrophobicContact CD2-CG2 3.94Å; Y416-I444 HydrophobicContact CD1-CB 4.3Å; Y416-I444 HydrophobicContact CD2-CB 4.05Å; Y416-I444 HydrophobicContact CD2-CG1 3.84Å; Y416-I444 HydrophobicContact CE1-CB 3.97Å; Y416-I444 HydrophobicContact CE1-CG2 3.82Å; Y416-I444 HydrophobicContact CE2-CB 3.71Å; Y416-I444 HydrophobicContact CE2-CG1 3.49Å; Y416-I444 VanDerWaalsContact CE2-CG1 3.49Å; Y416-I444 HydrophobicContact CE2-CG2 3.91Å; Y416-I444 HydrophobicContact CG-CB 4.35Å; Y416-I444 VanDerWaalsContact CZ-CG2 3.42Å; Y416-I444 WeakPolarHBondContact O-CB 3.29Å; Y416-I444 PolarHBondContact O-N 3.28Å; Y416-I444 WeakPolarHBondContact OH-CG2 3.49Å; I418-I444 HydrophobicContact CB-CD1 4.36Å; I418-I444 HydrophobicContact CG2-CD1 3.7Å; I418-I444 HydrophobicContact CG2-CG1 4.4Å; I444-L450 HydrophobicContact CD1-CD1 3.3Å
445	N	83	Confident	85.5	Confident	127 Å²	127	63.4 Å²	63.4	68%	0.679	32%	0.316	S	S	*	.			trans	-112.6	-5.5	178.6	64.6	2.3	0	0	0	113.8	P443	P443-N445 PolarHBondContact O-N 2.92Å
446	S	83.6	Confident	85.5	Confident	30 Å²	30	66.5 Å²	66.5	21%	0.21	34%	0.34	C	S	.	.	S	Bend	trans	-152.4	161.5	-177.3	67.8	0	0	0	0	111	P405 R448	P405-S446 WeakPolarHBondContact CG-O 3.46Å; S446-R448 PolarHBondContact O-N 3.37Å
447	H	85.5	Confident	85.2	Confident	21 Å²	21	65.4 Å²	65.4	10%	0.097	34%	0.339	C	S	.	.	S	Bend	trans	-78.7	11.1	179.9	62.6	-90.3	0	0	0	114.2	L408 T502 Y653	L408-H447 HydrophobicContact CD1-CB 4.26Å; H447-T502 PolarHBondContact CE1-OG1 3.35Å; H447-T502 VanDerWaalsContact CE1-OG1 3.26Å; H447-Y653 HydrophobicContact CB-CD1 3.49Å; H447-Y653 VanDerWaalsContact CB-CD1 3.49Å; H447-Y653 HydrophobicContact CB-CD2 3.58Å; H447-Y653 HydrophobicContact CB-CE1 3.97Å; H447-Y653 HydrophobicContact CB-CE2 4.06Å; H447-Y653 HydrophobicContact CB-CG 3.27Å; H447-Y653 AromaticContact CD2-CD1 3.75Å; H447-Y653 AromaticContact CG-CD1 3.29Å; H447-Y653 AromaticContact CG-CE1 3.64Å; H447-Y653 AromaticContact CG-CG 3.67Å; H447-Y653 AromaticContact ND1-CD1 3.58Å; H447-Y653 AromaticContact ND1-CE1 3.41Å; H447-Y653 WeakPolarHBondContact ND1-CE1 3.46Å
448	R	86.8	Confident	84.7	Confident	178 Å²	178	65.4 Å²	65.4	67%	0.672	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-71.8	147.6	-173.6	-67.2	-177.3	179.2	-178.6	1.7	110.8	P405 S446 L450	P405-R448 WeakPolarHBondContact CD-O 3.43Å; S446-R448 PolarHBondContact O-N 3.37Å; R448-L450 PolarHBondContact O-N 2.85Å
449	V	89.4	Confident	84.3	Confident	35 Å²	35	62.9 Å²	62.9	21%	0.212	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.1	120.7	169	-175.4	0	0	0	0	108.6	Y402 Q404 F481 L491 Q717	Y402-V449 HydrophobicContact CD1-CG1 3.72Å; Y402-V449 HydrophobicContact CG-CG1 4.18Å; Q404-V449 HydrophobicContact CB-CG2 4.07Å; Q404-V449 HydrophobicContact CG-CG2 3.92Å; V449-F481 HydrophobicContact CG1-CE2 4.4Å; V449-F481 HydrophobicContact CG1-CZ 3.76Å; V449-L491 HydrophobicContact CG1-CD1 4.41Å; V449-Q717 VanDerWaalsContact CG2-NE2 3.26Å
450	L	90.7	Very high	84	Confident	40 Å²	40	62.1 Å²	62.1	21%	0.209	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.2	175.9	-61.8	176.5	0	0	0	109.1	Y402 Y403 I418 I444 R448	Y402-L450 CarbonylContact C-O 3.57Å; Y402-L450 WeakPolarHBondContact CA-O 3.25Å; Y403-L450 HydrophobicContact CD1-CD1 4.35Å; Y403-L450 PolarHBondContact N-O 2.74Å; Y403-L450 PolarHBondContact O-N 2.91Å; I418-L450 HydrophobicContact CG2-CD1 4.39Å; I444-L450 HydrophobicContact CD1-CD1 3.3Å; R448-L450 PolarHBondContact O-N 2.85Å
451	R	90.7	Very high	83.7	Confident	141 Å²	141	61.5 Å²	61.5	53%	0.532	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.1	166.9	-177	-176.9	175.4	-145	-4.1	107.9	Q400 Y402	Q400-R451 VanDerWaalsContact OE1-NE 3.08Å; Y402-R451 HydrophobicContact CD1-CB 3.95Å; Y402-R451 HydrophobicContact CD1-CG 4.37Å; Y402-R451 HydrophobicContact CE1-CB 3.73Å; Y402-R451 HydrophobicContact CE1-CG 3.94Å
452	M	91.5	Very high	83.3	Confident	5 Å²	5	57 Å²	57	3%	0.025	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-76.2	153.4	178	-56.5	-56.9	-63.2	0	0	110.5	L401 I418 L420 Y442 L454 L463	L401-M452 HydrophobicContact CB-CB 4.1Å; L401-M452 HydrophobicContact CB-CG 4.44Å; L401-M452 HydrophobicContact CD2-CB 3.87Å; L401-M452 HydrophobicContact CD2-CG 3.86Å; L401-M452 HydrophobicContact CG-CB 3.84Å; L401-M452 HydrophobicContact CG-CG 3.7Å; L401-M452 WeakPolarHBondContact O-CB 3.42Å; L401-M452 PolarHBondContact O-N 3.35Å; I418-M452 HydrophobicContact CD1-CE 4.36Å; I418-M452 HydrophobicContact CD1-SD 4.34Å; I418-M452 HydrophobicContact CG1-CE 4.12Å; I418-M452 HydrophobicContact CG2-CE 4.05Å; I418-M452 HydrophobicContact CG2-SD 4.14Å; L420-M452 HydrophobicContact CB-CE 4.07Å; L420-M452 HydrophobicContact CD2-CB 4.47Å; Y442-M452 HydrophobicContact CD2-CE 3.79Å; Y442-M452 HydrophobicContact CD2-SD 3.89Å; Y442-M452 HydrophobicContact CE2-CE 4.01Å; Y442-M452 HydrophobicContact CE2-SD 4.1Å; M452-L454 PolarHBondContact O-N 3.17Å; M452-L463 HydrophobicContact CE-CD1 3.83Å
453	C	88	Confident	83.2	Confident	32 Å²	32	53.4 Å²	53.4	22%	0.216	29%	0.286	C	S	.	.			trans	-71.7	30.8	-178.8	66.7	0	0	0	0	114.8	L439 C440 N455	L439-C453 VanDerWaalsContact C-SG 3.52Å; L439-C453 VanDerWaalsContact CB-SG 3.58Å; C440-C453 HydrophobicContact CB-CB 3.55Å; C440-C453 WeakPolarHBondContact CB-SG 3.27Å; C440-C453 PolarHBondContact N-SG 2.75Å; C440-C453 VanDerWaalsContact N-SG 3.38Å; C440-C453 WeakPolarHBondContact SG-CB 3.32Å; C440-C453 PolarHBondContact SG-N 3.05Å; C440-C453 VanDerWaalsContact SG-N 3.37Å; C440-C453 CovalentContact SG-SG 2Å; C440-C453 PolarHBondContact SG-SG 2.86Å; C453-N455 PolarHBondContact O-N 2.97Å
454	L	83.6	Confident	83	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	27%	0.27	C	S	.	.			trans	-73.5	100.7	180	-177.3	69.6	0	0	0	109.5	L392 L401 L420 M452 Y461 F482	L392-L454 HydrophobicContact CD1-CD1 3.65Å; L392-L454 HydrophobicContact CD1-CD2 3.57Å; L392-L454 HydrophobicContact CD1-CG 4.14Å; L401-L454 HydrophobicContact CB-CB 4.08Å; L401-L454 HydrophobicContact CB-CD2 3.78Å; L420-L454 HydrophobicContact CD2-CB 4.08Å; L420-L454 HydrophobicContact CD2-CD1 4.32Å; M452-L454 PolarHBondContact O-N 3.17Å; L454-Y461 HydrophobicContact CD1-CD1 3.83Å; L454-Y461 HydrophobicContact CD1-CE1 3.52Å; L454-Y461 HydrophobicContact CD1-CE2 4.3Å; L454-Y461 HydrophobicContact CD1-CG 4.32Å; L454-F482 HydrophobicContact CD2-CD1 4.42Å; L454-F482 HydrophobicContact CD2-CE1 3.85Å
455	N	71.2	Confident	82.9	Confident	124 Å²	124	51.6 Å²	51.6	66%	0.663	27%	0.271	S	S	*	.			trans	-90.4	141.2	171.3	-64.5	-16.4	0	0	0	109.2	C453 G457	C453-N455 PolarHBondContact O-N 2.97Å; N455-G457 PolarHBondContact O-N 3.13Å; N455-G457 VanDerWaalsContact O-N 3.13Å
456	S	63.8	Low	82.9	Confident	92 Å²	92	48 Å²	48	64%	0.643	25%	0.252	S	S	*	.	S	Bend	trans	-51.6	115.1	-173.1	48.7	0	0	0	0	112.6	F394	F394-S456 VanDerWaalsContact CZ-CA 3.42Å
457	G	68.9	Low	82.9	Confident	21 Å²	21	48.9 Å²	48.9	22%	0.216	27%	0.266	C	S	.	.			trans	-170.6	132.6	177.5	0	0	0	0	0	112.1	F394 N455 Y461	F394-G457 VanDerWaalsContact CD2-C 3.42Å; F394-G457 VanDerWaalsContact CE2-C 3.44Å; F394-G457 WeakPolarHBondContact CE2-O 3.13Å; N455-G457 PolarHBondContact O-N 3.13Å; N455-G457 VanDerWaalsContact O-N 3.13Å; G457-Y461 PolarHBondContact O-OH 3.18Å
458	N	73	Confident	82.5	Confident	102 Å²	102	53.4 Å²	53.4	55%	0.545	29%	0.291	S	S	.	.			trans	-63.2	139.7	172.9	-70.3	-9.7	0	0	0	109.7	L392 F394	L392-N458 WeakPolarHBondContact O-CA 3.32Å; F394-N458 VanDerWaalsContact CB-OD1 3.28Å; F394-N458 WeakPolarHBondContact CB-OD1 3.41Å; F394-N458 WeakPolarHBondContact CD2-OD1 3.26Å; F394-N458 PolarHBondContact N-OD1 3.1Å
459	G	77.7	Confident	82	Confident	21 Å²	21	45 Å²	45	22%	0.216	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.2	179.1	178	0	0	0	0	0	114	Q391 L392 Y461	Q391-G459 WeakPolarHBondContact CA-O 3.31Å; L392-G459 PolarHBondContact N-O 3.36Å; L392-G459 PolarHBondContact O-N 2.9Å; G459-Y461 WeakPolarHBondContact O-CD2 3.18Å
460	I	81.1	Confident	81.3	Confident	48 Å²	48	48.2 Å²	48.2	25%	0.246	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	128.5	175.8	-60.7	168.6	0	0	0	108	L389 Q391 K423 Y462	L389-I460 HydrophobicContact CD1-CG2 4.19Å; L389-I460 HydrophobicContact CD2-CG2 3.68Å; L389-I460 HydrophobicContact CG-CG2 3.77Å; Q391-I460 HydrophobicContact CB-CG1 4.37Å; Q391-I460 HydrophobicContact CG-CG1 4.27Å; K423-I460 HydrophobicContact CB-CB 4Å; K423-I460 HydrophobicContact CB-CG2 4.32Å; K423-I460 HydrophobicContact CD-CB 4.38Å; K423-I460 HydrophobicContact CD-CD1 4.19Å; K423-I460 HydrophobicContact CD-CG2 4.39Å; K423-I460 PolarHBondContact N-O 2.77Å; I460-Y462 HydrophobicContact CG2-CE2 3.88Å
461	Y	85.9	Confident	80.7	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.5	-176.3	-65.2	-97.5	0	0	0	110.5	L389 F390 L392 L420 L421 K422 L439 L454 G457 G459	L389-Y461 CarbonylContact C-O 3.53Å; L389-Y461 WeakPolarHBondContact CA-O 3.19Å; F390-Y461 HydrophobicContact CD2-CD2 4.44Å; F390-Y461 HydrophobicContact CD2-CG 4.46Å; F390-Y461 HydrophobicContact CE2-CD2 4.18Å; F390-Y461 AromaticContact CE2-CG 3.88Å; F390-Y461 HydrophobicContact CE2-CG 3.88Å; F390-Y461 HydrophobicContact CZ-CG 4.34Å; F390-Y461 PolarHBondContact N-O 3.48Å; F390-Y461 PolarHBondContact O-N 2.9Å; L392-Y461 HydrophobicContact CB-CD2 4.46Å; L392-Y461 HydrophobicContact CB-CE2 4.22Å; L392-Y461 HydrophobicContact CD1-CD2 3.75Å; L392-Y461 HydrophobicContact CD1-CE2 3.74Å; L392-Y461 HydrophobicContact CD1-CG 4.48Å; L392-Y461 HydrophobicContact CG-CD2 4.4Å; L392-Y461 HydrophobicContact CG-CE2 4.48Å; L420-Y461 HydrophobicContact CD1-CD1 4.33Å; L421-Y461 CarbonylContact O-C 3.59Å; L421-Y461 VanDerWaalsContact O-CA 3.23Å; L421-Y461 WeakPolarHBondContact O-CA 3.33Å; K422-Y461 HydrophobicContact CB-CD1 4.15Å; K422-Y461 HydrophobicContact CB-CE1 4.15Å; K422-Y461 HydrophobicContact CD-CE1 4.04Å; K422-Y461 HydrophobicContact CG-CD1 4.26Å; K422-Y461 HydrophobicContact CG-CE1 3.98Å; L439-Y461 HydrophobicContact CD1-CD1 3.93Å; L439-Y461 HydrophobicContact CD1-CE1 3.65Å; L454-Y461 HydrophobicContact CD1-CD1 3.83Å; L454-Y461 HydrophobicContact CD1-CE1 3.52Å; L454-Y461 HydrophobicContact CD1-CE2 4.3Å; L454-Y461 HydrophobicContact CD1-CG 4.32Å; G457-Y461 PolarHBondContact O-OH 3.18Å; G459-Y461 WeakPolarHBondContact O-CD2 3.18Å
462	Y	84.6	Confident	79.8	Confident	6 Å²	6	48.7 Å²	48.7	2%	0.024	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.3	178	-66.2	-98.8	0	0	0	109.5	Y368 I388 L389 L420 L421 K423 M431 L436 I460	Y368-Y462 HydrophobicContact CD1-CE1 4.21Å; Y368-Y462 HydrophobicContact CE1-CD1 4.14Å; Y368-Y462 AromaticContact CE1-CE1 3.74Å; Y368-Y462 HydrophobicContact CE1-CE1 3.74Å; I388-Y462 CarbonylContact O-C 3.52Å; I388-Y462 VanDerWaalsContact O-CA 3.29Å; I388-Y462 WeakPolarHBondContact O-CA 3.2Å; L389-Y462 HydrophobicContact CB-CD1 4.31Å; L389-Y462 HydrophobicContact CB-CE1 4.07Å; L389-Y462 HydrophobicContact CD1-CE1 3.56Å; L389-Y462 HydrophobicContact CD1-CE2 4.49Å; L389-Y462 WeakPolarHBondContact CD1-OH 3.31Å; L389-Y462 HydrophobicContact CG-CD1 4.46Å; L389-Y462 HydrophobicContact CG-CE1 3.89Å; L420-Y462 CarbonylContact C-O 3.5Å; L420-Y462 WeakPolarHBondContact CA-O 3.42Å; L421-Y462 PolarHBondContact N-O 2.79Å; L421-Y462 PolarHBondContact O-N 3.43Å; K423-Y462 HydrophobicContact CB-CE2 4.14Å; M431-Y462 HydrophobicContact CE-CE1 4.41Å; M431-Y462 HydrophobicContact CE-CE2 4.37Å; M431-Y462 WeakPolarHBondContact CE-OH 3.5Å; M431-Y462 HydrophobicContact SD-CE1 4.42Å; M431-Y462 PolarHBondContact SD-OH 3.25Å; L436-Y462 HydrophobicContact CD2-CD2 3.42Å; L436-Y462 VanDerWaalsContact CD2-CD2 3.42Å; L436-Y462 HydrophobicContact CD2-CE2 3.37Å; L436-Y462 HydrophobicContact CD2-CG 4.22Å; I460-Y462 HydrophobicContact CG2-CE2 3.88Å
463	L	88.5	Confident	78.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.5	169.1	-165.8	71.6	0	0	0	108.1	F382 I388 F390 L401 I418 S419 L420 M452 Y480	F382-L463 HydrophobicContact CD2-CD2 3.99Å; F382-L463 HydrophobicContact CE2-CB 4.21Å; F382-L463 HydrophobicContact CE2-CD2 3.66Å; F382-L463 HydrophobicContact CE2-CG 3.71Å; I388-L463 HydrophobicContact CB-CB 4.31Å; I388-L463 HydrophobicContact CD1-CB 4.48Å; I388-L463 HydrophobicContact CD1-CD2 4.15Å; I388-L463 PolarHBondContact N-O 3.45Å; I388-L463 PolarHBondContact O-N 2.84Å; F390-L463 HydrophobicContact CE1-CB 4.03Å; L401-L463 HydrophobicContact CD2-CD1 4.23Å; L401-L463 HydrophobicContact CD2-CD2 4.45Å; I418-L463 HydrophobicContact CD1-CD1 3.78Å; I418-L463 HydrophobicContact CD1-CD2 4.07Å; I418-L463 HydrophobicContact CD1-CG 3.92Å; I418-L463 HydrophobicContact CG1-CD1 3.84Å; I418-L463 HydrophobicContact CG1-CG 4.18Å; S419-L463 WeakPolarHBondContact O-CA 3.22Å; L420-L463 HydrophobicContact CB-CD1 4.24Å; L420-L463 HydrophobicContact CD1-CD1 4.21Å; M452-L463 HydrophobicContact CE-CD1 3.83Å; L463-Y480 HydrophobicContact CD2-CG 4.33Å
464	Q	86.2	Confident	78	Confident	39 Å²	39	55.9 Å²	55.9	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.8	-177.3	70.1	-178.6	5.3	0	0	110.9	N387 I418 S419 L421 N466	N387-Q464 WeakPolarHBondContact OD1-CB 3.14Å; I418-Q464 WeakPolarHBondContact CA-O 3.5Å; S419-Q464 PolarHBondContact N-O 3.12Å; S419-Q464 PolarHBondContact O-N 3.4Å; S419-Q464 WeakPolarHBondContact OG-CG 3.43Å; S419-Q464 PolarHBondContact OG-NE2 3.36Å; L421-Q464 VanDerWaalsContact CD1-CD 3.49Å; L421-Q464 HydrophobicContact CD1-CG 3.77Å; Q464-N466 PolarHBondContact NE2-ND2 3.05Å; Q464-N466 VanDerWaalsContact NE2-ND2 3.17Å
465	L	87.5	Confident	77.5	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.052	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.1	171.9	-65.6	174.2	0	0	0	109.3	F382 W384 Y403 Y416 T417 I418 V477	F382-L465 HydrophobicContact CD1-CD1 3.3Å; F382-L465 HydrophobicContact CD1-CG 3.87Å; F382-L465 HydrophobicContact CE1-CB 4.25Å; F382-L465 HydrophobicContact CE1-CD1 3.42Å; F382-L465 VanDerWaalsContact CE1-CD1 3.42Å; F382-L465 HydrophobicContact CE1-CG 3.5Å; F382-L465 VanDerWaalsContact CE1-CG 3.5Å; F382-L465 HydrophobicContact CE2-CG 4.21Å; F382-L465 HydrophobicContact CG-CD1 3.99Å; F382-L465 HydrophobicContact CG-CG 4.47Å; F382-L465 HydrophobicContact CZ-CD1 4.11Å; F382-L465 HydrophobicContact CZ-CG 3.71Å; W384-L465 HydrophobicContact CE3-CB 4.01Å; W384-L465 HydrophobicContact CE3-CD1 4Å; W384-L465 HydrophobicContact CH2-CB 4.3Å; W384-L465 HydrophobicContact CZ3-CB 3.57Å; W384-L465 HydrophobicContact CZ3-CD1 4.2Å; W384-L465 HydrophobicContact CZ3-CG 4.47Å; Y403-L465 HydrophobicContact CE1-CD2 4.47Å; Y403-L465 HydrophobicContact CE2-CD2 4.37Å; Y416-L465 HydrophobicContact CD2-CD2 4.13Å; Y416-L465 HydrophobicContact CE2-CD2 4.03Å; T417-L465 WeakPolarHBondContact O-CA 3.33Å; I418-L465 HydrophobicContact CB-CD2 3.63Å; I418-L465 HydrophobicContact CD1-CD2 3.98Å; I418-L465 HydrophobicContact CG1-CD2 3.77Å; L465-V477 HydrophobicContact CD1-CG2 3.44Å; L465-V477 VanDerWaalsContact CD1-CG2 3.44Å
466	N	83.4	Confident	78	Confident	50 Å²	50	54.4 Å²	54.4	27%	0.267	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.8	-176.8	-61	-26	0	0	0	110	Y416 T417 S419 Q464	Y416-N466 CarbonylContact C-O 3.45Å; Y416-N466 WeakPolarHBondContact CA-O 3.23Å; Y416-N466 VanDerWaalsContact CB-O 3.26Å; Y416-N466 WeakPolarHBondContact CB-O 3.39Å; T417-N466 PolarHBondContact N-O 3.37Å; T417-N466 PolarHBondContact O-N 3.12Å; S419-N466 PolarHBondContact OG-ND2 2.95Å; Q464-N466 PolarHBondContact NE2-ND2 3.05Å; Q464-N466 VanDerWaalsContact NE2-ND2 3.17Å
467	G	82.7	Confident	79	Confident	50 Å²	50	50 Å²	50	52%	0.515	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-172.1	178	0	0	0	0	0	112.6	W384 P469	W384-G467 WeakPolarHBondContact CZ2-O 3.46Å; G467-P469 VanDerWaalsContact C-CD 3.42Å
468	N	78	Confident	80	Confident	115 Å²	115	49.1 Å²	49.1	62%	0.615	26%	0.263	S	S	*	.			trans	-130.8	64.6	177.7	-164.2	8.5	0	0	0	112.7	F414 N470	F414-N468 VanDerWaalsContact CD1-O 3.32Å; F414-N468 WeakPolarHBondContact CD1-O 3.07Å; N468-N470 VanDerWaalsContact C-N 3.26Å; N468-N470 PolarHBondContact O-N 3.37Å; N468-N470 VanDerWaalsContact O-N 3.15Å
469	P	75.1	Confident	80.8	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.013	24%	0.237	C	C	.	.			trans	-77.3	18.1	-173.1	33	-37.8	0	0	0	116.5	W384 P409 Y416 G467 F471	W384-P469 HydrophobicContact CD2-CG 4.07Å; W384-P469 HydrophobicContact CE3-CG 3.96Å; W384-P469 HydrophobicContact CH2-CG 3.38Å; W384-P469 HydrophobicContact CZ2-CG 3.49Å; W384-P469 VanDerWaalsContact CZ2-CG 3.49Å; W384-P469 HydrophobicContact CZ3-CG 3.59Å; P409-P469 HydrophobicContact CB-CB 4.14Å; Y416-P469 HydrophobicContact CD1-CB 3.84Å; Y416-P469 HydrophobicContact CD1-CG 4.22Å; Y416-P469 HydrophobicContact CG-CB 4.33Å; Y416-P469 HydrophobicContact CG-CG 4.27Å; G467-P469 VanDerWaalsContact C-CD 3.42Å; P469-F471 HydrophobicContact CB-CD2 3.51Å; P469-F471 HydrophobicContact CB-CE2 3.46Å; P469-F471 VanDerWaalsContact CB-CE2 3.46Å; P469-F471 HydrophobicContact CB-CG 4.13Å; P469-F471 HydrophobicContact CB-CZ 4.07Å; P469-F471 HydrophobicContact CG-CB 4.35Å; P469-F471 HydrophobicContact CG-CD2 3.15Å; P469-F471 HydrophobicContact CG-CE2 3.55Å; P469-F471 HydrophobicContact CG-CG 3.92Å; P469-F471 PolarHBondContact O-N 3.32Å
470	N	74.8	Confident	81.4	Confident	102 Å²	102	43.3 Å²	43.3	55%	0.545	23%	0.227	S	C	.	.			trans	51.8	21.9	-173.5	-72.7	-14.3	0	0	0	114.7	F414 N468	F414-N470 WeakPolarHBondContact CE2-ND2 3.46Å; F414-N470 WeakPolarHBondContact CZ-ND2 3.19Å; N468-N470 VanDerWaalsContact C-N 3.26Å; N468-N470 PolarHBondContact O-N 3.37Å; N468-N470 VanDerWaalsContact O-N 3.15Å
471	F	78.2	Confident	81.7	Confident	29 Å²	29	41 Å²	41	13%	0.127	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-77.4	147.1	172.2	-63.4	-40.8	0	0	0	110.7	W384 P409 Y416 P469 V477	W384-F471 HydrophobicContact CB-CB 4.21Å; W384-F471 HydrophobicContact CD2-CB 4.22Å; W384-F471 HydrophobicContact CD2-CD2 4.05Å; W384-F471 AromaticContact CE3-CD2 3.89Å; W384-F471 HydrophobicContact CE3-CD2 3.89Å; W384-F471 HydrophobicContact CG-CB 3.83Å; W384-F471 HydrophobicContact CG-CD2 4.41Å; W384-F471 HydrophobicContact CZ3-CD2 4.43Å; P409-F471 HydrophobicContact CB-CZ 4.48Å; Y416-F471 HydrophobicContact CD1-CE2 4.06Å; Y416-F471 AromaticContact CE1-CE2 3.68Å; Y416-F471 HydrophobicContact CE1-CE2 3.68Å; Y416-F471 HydrophobicContact CE1-CZ 4.08Å; P469-F471 HydrophobicContact CB-CD2 3.51Å; P469-F471 HydrophobicContact CB-CE2 3.46Å; P469-F471 VanDerWaalsContact CB-CE2 3.46Å; P469-F471 HydrophobicContact CB-CG 4.13Å; P469-F471 HydrophobicContact CB-CZ 4.07Å; P469-F471 HydrophobicContact CG-CB 4.35Å; P469-F471 HydrophobicContact CG-CD2 3.15Å; P469-F471 HydrophobicContact CG-CE2 3.55Å; P469-F471 HydrophobicContact CG-CG 3.92Å; P469-F471 PolarHBondContact O-N 3.32Å; F471-V477 HydrophobicContact CB-CG1 4.09Å; F471-V477 HydrophobicContact CD1-CG1 4.24Å; F471-V477 HydrophobicContact CD2-CB 4.26Å; F471-V477 HydrophobicContact CD2-CG1 3.36Å; F471-V477 HydrophobicContact CE2-CB 4.25Å; F471-V477 HydrophobicContact CE2-CG1 3.76Å; F471-V477 HydrophobicContact CG-CG1 3.65Å; F471-V477 HydrophobicContact CZ-CG1 4.35Å
472	K	72.5	Confident	81.7	Confident	162 Å²	162	40.8 Å²	40.8	70%	0.704	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-70.2	144.9	173.9	-64.7	-177.1	-178.8	-177.9	0	109.7	R474 Q475	K472-R474 PolarHBondContact O-N 3.42Å; K472-Q475 HydrophobicContact CB-CB 4.27Å; K472-Q475 VanDerWaalsContact N-OE1 3.07Å; K472-Q475 WeakPolarHBondContact O-CB 3.28Å; K472-Q475 PolarHBondContact O-N 2.98Å
473	N	71.5	Confident	81.6	Confident	110 Å²	110	40.5 Å²	40.5	59%	0.588	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	132.2	173.7	-169	15.5	0	0	0	110.3	N385 Q475	N385-N473 VanDerWaalsContact CB-OD1 3.3Å; N385-N473 WeakPolarHBondContact CB-OD1 3.49Å; N385-N473 PolarHBondContact ND2-OD1 2.99Å; N473-Q475 PolarHBondContact O-N 2.88Å
474	R	69.4	Low	81	Confident	79 Å²	79	41.2 Å²	41.2	30%	0.298	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	22	-175	-54.2	-171.4	179.8	175.9	4.2	115.8	D233 M309 Y383 W384 K472	D233-R474 IonicContact OD2-NH1 3.13Å; D233-R474 IonicContact OD2-NH2 2.77Å; D233-R474 PolarHBondContact OD2-NH2 2.62Å; M309-R474 HydrophobicContact CE-CB 4.32Å; M309-R474 PolarHBondContact SD-NH1 3.16Å; M309-R474 VanDerWaalsContact SD-NH1 3.4Å; Y383-R474 WeakPolarHBondContact CD1-O 3.43Å; W384-R474 WeakPolarHBondContact O-CA 3.46Å; W384-R474 PolarHBondContact O-N 2.73Å; K472-R474 PolarHBondContact O-N 3.42Å
475	Q	74.3	Confident	80.4	Confident	56 Å²	56	43.2 Å²	43.2	26%	0.262	23%	0.232	S	C	.	.			trans	-70.8	133.5	166.9	-177.1	172.9	-12.3	0	0	109.3	Y383 W384 K472 N473 V477	Y383-Q475 CarbonylContact C-O 3.53Å; Y383-Q475 WeakPolarHBondContact CA-O 3.42Å; W384-Q475 PolarHBondContact N-O 3.49Å; K472-Q475 HydrophobicContact CB-CB 4.27Å; K472-Q475 VanDerWaalsContact N-OE1 3.07Å; K472-Q475 WeakPolarHBondContact O-CB 3.28Å; K472-Q475 PolarHBondContact O-N 2.98Å; N473-Q475 PolarHBondContact O-N 2.88Å; Q475-V477 PolarHBondContact O-N 2.75Å
476	P	80.4	Confident	79.5	Confident	43 Å²	43	49.8 Å²	49.8	28%	0.279	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	117.6	170.6	26.3	-31.7	0	0	0	108.2	Y383 Y407	Y383-P476 HydrophobicContact CD1-CB 3.93Å; Y383-P476 HydrophobicContact CE1-CB 3.77Å; Y383-P476 HydrophobicContact CE1-CG 4.27Å; Y407-P476 WeakPolarHBondContact CD2-O 3.33Å; Y407-P476 WeakPolarHBondContact CE2-O 3.5Å
477	V	86.3	Confident	78.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-23.5	-175.3	-71.6	0	0	0	0	112.3	F382 W384 C406 Y407 L465 F471 Q475	F382-V477 WeakPolarHBondContact O-CG2 3.4Å; F382-V477 PolarHBondContact O-N 2.88Å; W384-V477 HydrophobicContact CB-CG1 3.87Å; W384-V477 HydrophobicContact CB-CG2 4.32Å; W384-V477 HydrophobicContact CE3-CG2 4.31Å; C406-V477 PolarHBondContact N-O 3.09Å; Y407-V477 PolarHBondContact N-O 3.28Å; L465-V477 HydrophobicContact CD1-CG2 3.44Å; L465-V477 VanDerWaalsContact CD1-CG2 3.44Å; F471-V477 HydrophobicContact CB-CG1 4.09Å; F471-V477 HydrophobicContact CD1-CG1 4.24Å; F471-V477 HydrophobicContact CD2-CB 4.26Å; F471-V477 HydrophobicContact CD2-CG1 3.36Å; F471-V477 HydrophobicContact CE2-CB 4.25Å; F471-V477 HydrophobicContact CE2-CG1 3.76Å; F471-V477 HydrophobicContact CG-CG1 3.65Å; F471-V477 HydrophobicContact CZ-CG1 4.35Å; Q475-V477 PolarHBondContact O-N 2.75Å
478	G	89.7	Confident	78.2	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-169.7	-178.8	0	0	0	0	0	111.7	F382 Q404	F382-G478 PolarHBondContact N-O 3.29Å; F382-G478 PolarHBondContact O-N 2.99Å; Q404-G478 CarbonylContact O-C 3.53Å; Q404-G478 WeakPolarHBondContact O-CA 3.21Å
479	R	90	Very high	78	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.7	172.7	62.8	-174.2	-171.7	-172.8	-2.7	109.5	Y379 N380 Y403 Q404 F481 K714 Y715 K716	Y379-R479 HydrophobicContact CE2-CB 4.47Å; Y379-R479 WeakPolarHBondContact OH-CD 3.49Å; N380-R479 VanDerWaalsContact O-CA 3.32Å; N380-R479 WeakPolarHBondContact O-CA 3.37Å; N380-R479 WeakPolarHBondContact O-CB 3.37Å; Y403-R479 CarbonylContact C-O 3.57Å; Y403-R479 WeakPolarHBondContact CA-O 3.25Å; Y403-R479 VanDerWaalsContact CD2-O 3.28Å; Y403-R479 WeakPolarHBondContact CD2-O 3.44Å; Q404-R479 HydrophobicContact CB-CG 3.94Å; Q404-R479 PolarHBondContact N-O 3.47Å; Q404-R479 PolarHBondContact O-N 3.03Å; R479-F481 HydrophobicContact CG-CD1 4.33Å; R479-F481 HydrophobicContact CG-CE1 4.23Å; R479-K714 PolarHBondContact NH1-O 3.11Å; R479-Y715 VanDerWaalsContact NH2-C 3.31Å; R479-Y715 PolarHBondContact NH2-O 2.85Å; R479-K716 PolarHBondContact NH1-O 3.07Å; R479-K716 PolarHBondContact NH2-O 2.69Å
480	Y	89.9	Confident	78.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.3	174.9	69.3	-78.7	0	0	0	109.5	L371 Y378 N380 F382 I388 L401 Y402 L463 F482	L371-Y480 HydrophobicContact CD1-CE2 4.34Å; L371-Y480 VanDerWaalsContact CD1-OH 3.25Å; L371-Y480 WeakPolarHBondContact CD1-OH 3.09Å; Y378-Y480 HydrophobicContact CD1-CE2 4.12Å; Y378-Y480 AromaticContact CE1-CE2 3.67Å; Y378-Y480 HydrophobicContact CE1-CE2 3.67Å; Y378-Y480 AromaticContact CE1-CZ 3.93Å; N380-Y480 HydrophobicContact CB-CD1 4.34Å; N380-Y480 HydrophobicContact CB-CE1 3.58Å; N380-Y480 HydrophobicContact CB-CE2 4.32Å; N380-Y480 PolarHBondContact N-O 3.11Å; N380-Y480 PolarHBondContact ND2-OH 2.94Å; N380-Y480 VanDerWaalsContact ND2-OH 3.1Å; N380-Y480 PolarHBondContact O-N 3.48Å; F382-Y480 HydrophobicContact CB-CD1 4.22Å; F382-Y480 HydrophobicContact CD2-CD1 4.1Å; I388-Y480 HydrophobicContact CD1-CD1 3.4Å; I388-Y480 VanDerWaalsContact CD1-CD1 3.4Å; I388-Y480 HydrophobicContact CD1-CD2 4.27Å; I388-Y480 HydrophobicContact CD1-CE1 3.13Å; I388-Y480 HydrophobicContact CD1-CE2 4.05Å; I388-Y480 HydrophobicContact CD1-CG 3.97Å; I388-Y480 VanDerWaalsContact CD1-CZ 3.48Å; I388-Y480 HydrophobicContact CG1-CE1 4.03Å; I388-Y480 HydrophobicContact CG2-CE2 4.01Å; L401-Y480 HydrophobicContact CD1-CD2 4.4Å; Y402-Y480 CarbonylContact O-C 3.55Å; Y402-Y480 WeakPolarHBondContact O-CA 3.13Å; L463-Y480 HydrophobicContact CD2-CG 4.33Å; Y480-F482 HydrophobicContact CD2-CE2 4.21Å; Y480-F482 HydrophobicContact CE2-CE2 4.39Å
481	F	87.4	Confident	78.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	155.4	-177.3	48.6	-92.8	0	0	0	112	Y378 Y379 Y402 Q404 V449 R479 L483 L491 Y715	Y378-F481 CarbonylContact O-C 3.59Å; Y378-F481 WeakPolarHBondContact O-CA 3.43Å; Y378-F481 WeakPolarHBondContact O-CB 3.48Å; Y379-F481 HydrophobicContact CD2-CB 4.31Å; Y379-F481 HydrophobicContact CD2-CD1 4.36Å; Y402-F481 HydrophobicContact CD2-CD2 4.12Å; Y402-F481 AromaticContact CD2-CE2 3.92Å; Y402-F481 HydrophobicContact CD2-CE2 3.92Å; Y402-F481 HydrophobicContact CG-CD2 4.25Å; Y402-F481 AromaticContact CG-CE2 3.74Å; Y402-F481 HydrophobicContact CG-CE2 3.74Å; Y402-F481 HydrophobicContact CG-CZ 4.4Å; Y402-F481 PolarHBondContact N-O 3.23Å; Y402-F481 PolarHBondContact O-N 3.21Å; Q404-F481 HydrophobicContact CB-CE1 4.39Å; V449-F481 HydrophobicContact CG1-CE2 4.4Å; V449-F481 HydrophobicContact CG1-CZ 3.76Å; R479-F481 HydrophobicContact CG-CD1 4.33Å; R479-F481 HydrophobicContact CG-CE1 4.23Å; F481-L483 HydrophobicContact CD2-CD1 4.12Å; F481-L483 HydrophobicContact CD2-CD2 4.19Å; F481-L483 HydrophobicContact CD2-CG 3.9Å; F481-L483 HydrophobicContact CE2-CD1 3.94Å; F481-L483 HydrophobicContact CE2-CG 4.23Å; F481-L491 HydrophobicContact CE2-CD2 3.82Å; F481-L491 HydrophobicContact CZ-CD2 3.85Å; F481-Y715 HydrophobicContact CB-CE1 4Å; F481-Y715 HydrophobicContact CD1-CD1 4.28Å; F481-Y715 HydrophobicContact CD1-CE1 4.26Å; F481-Y715 HydrophobicContact CD2-CD1 4.11Å; F481-Y715 AromaticContact CD2-CE1 3.79Å; F481-Y715 HydrophobicContact CD2-CE1 3.79Å; F481-Y715 HydrophobicContact CE1-CD1 4.35Å; F481-Y715 HydrophobicContact CE2-CD1 4.17Å; F481-Y715 HydrophobicContact CE2-CE1 4.31Å; F481-Y715 HydrophobicContact CG-CD1 4.16Å; F481-Y715 AromaticContact CG-CE1 3.76Å; F481-Y715 HydrophobicContact CG-CE1 3.76Å; F481-Y715 HydrophobicContact CZ-CD1 4.29Å
482	F	84.4	Confident	79.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126	177.9	-67.7	-101.5	0	0	0	108.9	I373 L377 Y378 F390 L392 L399 Q400 L401 L454 Y480	I373-F482 HydrophobicContact CD1-CD1 4.35Å; I373-F482 HydrophobicContact CD1-CD2 3.67Å; I373-F482 HydrophobicContact CD1-CE1 3.91Å; I373-F482 HydrophobicContact CD1-CE2 3.15Å; I373-F482 HydrophobicContact CD1-CG 4.24Å; I373-F482 HydrophobicContact CD1-CZ 3.27Å; I373-F482 HydrophobicContact CG2-CG 4.5Å; L377-F482 WeakPolarHBondContact CA-O 3Å; Y378-F482 HydrophobicContact CD1-CD2 4.12Å; Y378-F482 HydrophobicContact CD1-CE2 4.47Å; Y378-F482 HydrophobicContact CG-CD2 4.43Å; Y378-F482 PolarHBondContact N-O 3.28Å; Y378-F482 PolarHBondContact O-N 3.37Å; F390-F482 HydrophobicContact CD1-CZ 4.43Å; F390-F482 HydrophobicContact CD2-CE1 4.29Å; F390-F482 AromaticContact CD2-CZ 3.75Å; F390-F482 HydrophobicContact CD2-CZ 3.75Å; F390-F482 HydrophobicContact CE1-CZ 4.4Å; F390-F482 HydrophobicContact CE2-CE1 4.07Å; F390-F482 AromaticContact CE2-CZ 3.71Å; F390-F482 HydrophobicContact CE2-CZ 3.71Å; F390-F482 HydrophobicContact CG-CZ 4.11Å; F390-F482 HydrophobicContact CZ-CZ 4.05Å; L392-F482 HydrophobicContact CD2-CE1 4.19Å; L399-F482 HydrophobicContact CB-CD1 4.45Å; L399-F482 HydrophobicContact CD2-CB 4.49Å; Q400-F482 WeakPolarHBondContact O-CA 3.39Å; L401-F482 HydrophobicContact CB-CD1 4.22Å; L401-F482 HydrophobicContact CB-CE1 3.91Å; L401-F482 HydrophobicContact CB-CZ 4.37Å; L401-F482 HydrophobicContact CD1-CD1 4.45Å; L401-F482 HydrophobicContact CD1-CD2 4.18Å; L401-F482 HydrophobicContact CD1-CE1 4.02Å; L401-F482 HydrophobicContact CD1-CE2 3.71Å; L401-F482 HydrophobicContact CD1-CZ 3.64Å; L401-F482 HydrophobicContact CD2-CZ 4.45Å; L401-F482 HydrophobicContact CG-CE1 4.4Å; L401-F482 HydrophobicContact CG-CZ 4.36Å; L454-F482 HydrophobicContact CD2-CD1 4.42Å; L454-F482 HydrophobicContact CD2-CE1 3.85Å; Y480-F482 HydrophobicContact CD2-CE2 4.21Å; Y480-F482 HydrophobicContact CE2-CE2 4.39Å
483	L	82.8	Confident	79.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	146.1	173.9	-55.4	178.6	0	0	0	109.3	L377 Q400 Y402 F481 L490 L491 Y715	L377-L483 HydrophobicContact CD2-CB 4.48Å; L377-L483 HydrophobicContact CD2-CD2 3.95Å; Q400-L483 PolarHBondContact N-O 3.4Å; Q400-L483 PolarHBondContact O-N 2.82Å; Y402-L483 HydrophobicContact CD2-CB 4.32Å; Y402-L483 HydrophobicContact CD2-CD1 4.05Å; Y402-L483 HydrophobicContact CD2-CG 4.06Å; Y402-L483 HydrophobicContact CE2-CB 3.91Å; Y402-L483 HydrophobicContact CE2-CD1 3.85Å; Y402-L483 HydrophobicContact CE2-CG 4.03Å; F481-L483 HydrophobicContact CD2-CD1 4.12Å; F481-L483 HydrophobicContact CD2-CD2 4.19Å; F481-L483 HydrophobicContact CD2-CG 3.9Å; F481-L483 HydrophobicContact CE2-CD1 3.94Å; F481-L483 HydrophobicContact CE2-CG 4.23Å; L483-L490 HydrophobicContact CD2-CD1 4.13Å; L483-L491 HydrophobicContact CD1-CD1 4.22Å; L483-L491 HydrophobicContact CD1-CD2 4.3Å; L483-L491 HydrophobicContact CD1-CG 4.02Å; L483-Y715 HydrophobicContact CD2-CE1 4.15Å
484	G	77.1	Confident	80.5	Confident	15 Å²	15	37.6 Å²	37.6	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	159.9	164.8	0	0	0	0	0	110.7	N486 T487	G484-N486 PolarHBondContact O-N 3.34Å; G484-T487 PolarHBondContact N-OG1 3.04Å; G484-T487 PolarHBondContact O-N 2.67Å; G484-T487 PolarHBondContact O-OG1 3.4Å
485	I	72.7	Confident	81.2	Confident	81 Å²	81	34.7 Å²	34.7	42%	0.415	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-54.4	-37.8	177.8	-66.9	-170.8	0	0	0	112.1	P398 Q400	P398-I485 HydrophobicContact CB-CD1 3.72Å; P398-I485 HydrophobicContact CB-CG1 4.13Å; P398-I485 HydrophobicContact CG-CD1 3.18Å; P398-I485 HydrophobicContact CG-CG1 3.72Å; Q400-I485 HydrophobicContact CG-CG1 4.46Å
486	N	69.1	Low	81.5	Confident	147 Å²	147	40.3 Å²	40.3	79%	0.786	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-87.4	-5.8	-177.3	-62.8	-4	0	0	0	113.5	G484	G484-N486 PolarHBondContact O-N 3.34Å
487	T	70.8	Confident	81.4	Confident	39 Å²	39	43.9 Å²	43.9	24%	0.239	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-103.2	14.6	-176.3	65.7	0	0	0	0	113	L377 G484 N489 L490	L377-T487 HydrophobicContact CD2-CG2 4.19Å; L377-T487 WeakPolarHBondContact CD2-OG1 3.36Å; G484-T487 PolarHBondContact N-OG1 3.04Å; G484-T487 PolarHBondContact O-N 2.67Å; G484-T487 PolarHBondContact O-OG1 3.4Å; T487-N489 VanDerWaalsContact CA-OD1 3.25Å; T487-N489 WeakPolarHBondContact CA-OD1 3.48Å; T487-N489 PolarHBondContact O-N 2.99Å; T487-N489 PolarHBondContact O-OD1 2.84Å; T487-L490 WeakPolarHBondContact O-CB 3.36Å; T487-L490 WeakPolarHBondContact O-CG 3.49Å; T487-L490 PolarHBondContact O-N 3.35Å
488	T	67.4	Low	81.1	Confident	61 Å²	61	44.7 Å²	44.7	37%	0.374	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-67.4	-13.4	176	56.3	0	0	0	0	112.6	Y402 L490 L491	Y402-T488 WeakPolarHBondContact OH-CG2 3.41Å; T488-L490 PolarHBondContact O-N 3.07Å; T488-L491 PolarHBondContact O-N 2.77Å
489	N	74.4	Confident	80.7	Confident	59 Å²	59	50.8 Å²	50.8	32%	0.316	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.6	-19.8	169.3	63.4	-31.6	0	0	0	113	T487 L491 N707 D709	T487-N489 VanDerWaalsContact CA-OD1 3.25Å; T487-N489 WeakPolarHBondContact CA-OD1 3.48Å; T487-N489 PolarHBondContact O-N 2.99Å; T487-N489 PolarHBondContact O-OD1 2.84Å; N489-L491 PolarHBondContact O-N 3.39Å; N489-N707 VanDerWaalsContact O-CB 3.28Å; N489-N707 WeakPolarHBondContact O-CB 3.27Å; N489-N707 PolarHBondContact O-ND2 2.74Å; N489-D709 PolarHBondContact ND2-OD2 2.84Å
490	L	80.2	Confident	80.4	Confident	23 Å²	23	51 Å²	51	12%	0.12	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-66.7	-21.7	177.5	-65.1	174.6	0	0	0	113.8	L377 L483 T487 T488 D709 Y715	L377-L490 HydrophobicContact CD1-CD1 3.79Å; L377-L490 HydrophobicContact CD2-CD1 4.49Å; L483-L490 HydrophobicContact CD2-CD1 4.13Å; T487-L490 WeakPolarHBondContact O-CB 3.36Å; T487-L490 WeakPolarHBondContact O-CG 3.49Å; T487-L490 PolarHBondContact O-N 3.35Å; T488-L490 PolarHBondContact O-N 3.07Å; L490-D709 HydrophobicContact CD2-CB 3.92Å; L490-Y715 HydrophobicContact CB-CD2 4Å; L490-Y715 HydrophobicContact CB-CE2 4.12Å; L490-Y715 HydrophobicContact CD1-CE2 4.06Å
491	L	85.9	Confident	79.8	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.131	25%	0.254	C	S	.	.	S	Bend	trans	-78.1	142.2	177.3	-62.5	179.5	0	0	0	110.8	V449 F481 L483 T488 N489 Y715	V449-L491 HydrophobicContact CG1-CD1 4.41Å; F481-L491 HydrophobicContact CE2-CD2 3.82Å; F481-L491 HydrophobicContact CZ-CD2 3.85Å; L483-L491 HydrophobicContact CD1-CD1 4.22Å; L483-L491 HydrophobicContact CD1-CD2 4.3Å; L483-L491 HydrophobicContact CD1-CG 4.02Å; T488-L491 PolarHBondContact O-N 2.77Å; N489-L491 PolarHBondContact O-N 3.39Å; L491-Y715 HydrophobicContact CD2-CD1 4.3Å; L491-Y715 HydrophobicContact CD2-CG 4.34Å
492	P	88.1	Confident	79.3	Confident	14 Å²	14	52.3 Å²	52.3	9%	0.091	26%	0.258	C	S	.	.			trans	-62.7	140.3	177.5	26	-34.7	0	0	0	111.4	V705 Y715 Q717 F719	P492-V705 HydrophobicContact CB-CB 4.25Å; P492-V705 HydrophobicContact CB-CG1 4.03Å; P492-V705 WeakPolarHBondContact CB-O 3.38Å; P492-V705 WeakPolarHBondContact CG-O 3.37Å; P492-Y715 VanDerWaalsContact CD-O 3.32Å; P492-Y715 WeakPolarHBondContact CD-O 3.38Å; P492-Q717 HydrophobicContact CG-CB 3.98Å; P492-Q717 HydrophobicContact CG-CG 3.65Å; P492-F719 HydrophobicContact CB-CE1 4.14Å; P492-F719 HydrophobicContact CB-CZ 3.81Å; P492-F719 HydrophobicContact CG-CE1 4.1Å; P492-F719 HydrophobicContact CG-CZ 4.24Å
493	Q	86.2	Confident	78.8	Confident	54 Å²	54	56 Å²	56	25%	0.252	28%	0.278	S	S	.	.			trans	-104.6	129.1	-175.3	-63.9	-179.4	-19.9	0	0	110.4	H617 N619	Q493-H617 HydrophobicContact CB-CB 4.31Å; Q493-H617 WeakPolarHBondContact O-CB 3.38Å; Q493-H617 PolarHBondContact OE1-CE1 2.93Å; Q493-H617 PolarHBondContact OE1-ND1 3.28Å; Q493-N619 PolarHBondContact OE1-ND2 3Å
494	K	83.9	Confident	78.1	Confident	89 Å²	89	56.1 Å²	56.1	39%	0.387	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-86.3	140.5	172.2	-71.6	-177	-179.4	-175.2	0	109.9	F500 H617 F719	K494-F500 HydrophobicContact CD-CD2 4.31Å; K494-F500 HydrophobicContact CG-CE2 4.37Å; K494-H617 PolarHBondContact O-CD2 3.44Å; K494-F719 HydrophobicContact CB-CE2 4.4Å; K494-F719 HydrophobicContact CD-CE2 4.38Å; K494-F719 HydrophobicContact CD-CZ 4.26Å; K494-F719 HydrophobicContact CG-CD2 4.08Å; K494-F719 HydrophobicContact CG-CE1 4.1Å; K494-F719 HydrophobicContact CG-CE2 3.4Å; K494-F719 VanDerWaalsContact CG-CE2 3.4Å; K494-F719 HydrophobicContact CG-CZ 3.4Å; K494-F719 VanDerWaalsContact CG-CZ 3.4Å
495	P	84.4	Confident	77.7	Confident	19 Å²	19	60 Å²	60	12%	0.123	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-56	147.4	168.3	9.8	-14	0	0	0	111	T498 F500 K615	P495-T498 HydrophobicContact CB-CG2 3.92Å; P495-T498 HydrophobicContact CG-CG2 3.99Å; P495-T498 WeakPolarHBondContact CG-OG1 3.25Å; P495-T498 PolarHBondContact O-OG1 2.96Å; P495-F500 HydrophobicContact CG-CE2 4.23Å; P495-F500 HydrophobicContact CG-CZ 3.94Å; P495-K615 HydrophobicContact CG-CB 4.13Å; P495-K615 WeakPolarHBondContact CG-O 3.27Å
496	K	79.8	Confident	77.8	Confident	174 Å²	174	60 Å²	60	76%	0.757	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	141	-178.1	-64.9	-178.6	-178.7	175.9	0	110.2	T498	K496-T498 PolarHBondContact O-N 3.28Å
497	Y	78.4	Confident	78.2	Confident	117 Å²	117	53.5 Å²	53.5	46%	0.459	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	29.6	176.6	-45.9	-74	0	0	0	114.8	I593 Y595 K596	Y497-I593 HydrophobicContact CD1-CB 4.3Å; Y497-I593 HydrophobicContact CD1-CG2 4.29Å; Y497-I593 HydrophobicContact CE1-CB 4.46Å; Y497-I593 HydrophobicContact CE1-CD1 4.01Å; Y497-I593 HydrophobicContact CE2-CD1 4.42Å; Y497-I593 HydrophobicContact CG-CG2 4.33Å; Y497-Y595 VanDerWaalsContact C-CD1 3.5Å; Y497-Y595 WeakPolarHBondContact O-CA 3.4Å; Y497-K596 PolarHBondContact O-N 3.44Å
498	T	79.7	Confident	78.7	Confident	18 Å²	18	53 Å²	53	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.8	173	60.2	0	0	0	0	112.2	P495 K496 F500 K596 K615	P495-T498 HydrophobicContact CB-CG2 3.92Å; P495-T498 HydrophobicContact CG-CG2 3.99Å; P495-T498 WeakPolarHBondContact CG-OG1 3.25Å; P495-T498 PolarHBondContact O-OG1 2.96Å; K496-T498 PolarHBondContact O-N 3.28Å; T498-F500 VanDerWaalsContact OG1-CE2 3.28Å; T498-F500 WeakPolarHBondContact OG1-CE2 3.49Å; T498-K596 VanDerWaalsContact CA-O 3.3Å; T498-K596 WeakPolarHBondContact CA-O 3.15Å; T498-K615 HydrophobicContact CG2-CB 4.23Å; T498-K615 HydrophobicContact CG2-CD 3.77Å
499	Y	82.9	Confident	79.3	Confident	129 Å²	129	52.4 Å²	52.4	51%	0.506	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.2	170.7	173.2	-100.2	0	0	0	109.6	P501 K596 N597 G598	Y499-P501 HydrophobicContact CE1-CB 4.31Å; Y499-K596 PolarHBondContact N-O 3.21Å; Y499-N597 PolarHBondContact O-OD1 3.5Å; Y499-G598 PolarHBondContact O-N 3.2Å
500	F	83	Confident	79.5	Confident	8 Å²	8	55.4 Å²	55.4	4%	0.035	28%	0.278	C	S	.	.			trans	-126.8	131.3	173	-61	-87.3	0	0	0	109.2	K494 P495 T498 T502 G598 F599 L614 K615 F719 V720	K494-F500 HydrophobicContact CD-CD2 4.31Å; K494-F500 HydrophobicContact CG-CE2 4.37Å; P495-F500 HydrophobicContact CG-CE2 4.23Å; P495-F500 HydrophobicContact CG-CZ 3.94Å; T498-F500 VanDerWaalsContact OG1-CE2 3.28Å; T498-F500 WeakPolarHBondContact OG1-CE2 3.49Å; F500-T502 PolarHBondContact O-N 3.08Å; F500-G598 VanDerWaalsContact CE1-C 3.48Å; F500-G598 WeakPolarHBondContact CE1-O 2.94Å; F500-F599 HydrophobicContact CD1-CB 4.17Å; F500-L614 HydrophobicContact CD1-CD1 4.11Å; F500-L614 HydrophobicContact CE1-CD1 3.61Å; F500-L614 HydrophobicContact CE1-CG 4.46Å; F500-K615 WeakPolarHBondContact CZ-O 3.4Å; F500-F719 WeakPolarHBondContact CB-O 3.35Å; F500-V720 HydrophobicContact CB-CG2 4.2Å; F500-V720 HydrophobicContact CD1-CG2 3.71Å; F500-V720 HydrophobicContact CG-CG2 4.35Å
501	P	78.1	Confident	79.4	Confident	13 Å²	13	55.7 Å²	55.7	8%	0.084	28%	0.281	C	S	.	.			trans	-72.3	127.3	179	29.7	-32.8	0	0	0	110.1	Y499 F599 V720 R721 Q722	Y499-P501 HydrophobicContact CE1-CB 4.31Å; P501-F599 HydrophobicContact CG-CD1 4.4Å; P501-V720 HydrophobicContact CG-CG1 4.44Å; P501-V720 CarbonylContact O-C 3.53Å; P501-V720 WeakPolarHBondContact O-CA 3.46Å; P501-R721 PolarHBondContact O-N 3.2Å; P501-Q722 VanDerWaalsContact CB-OE1 3.24Å
502	T	75.9	Confident	78.8	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.086	29%	0.294	C	S	.	.			trans	-121.3	-21.1	176.8	43.6	0	0	0	0	112.7	H447 F500 F719 R721	H447-T502 PolarHBondContact CE1-OG1 3.35Å; H447-T502 VanDerWaalsContact CE1-OG1 3.26Å; F500-T502 PolarHBondContact O-N 3.08Å; T502-F719 VanDerWaalsContact CG2-O 3.25Å; T502-F719 WeakPolarHBondContact CG2-O 3.37Å; T502-R721 PolarHBondContact O-NH1 3.39Å
503	D	73.9	Confident	77.4	Confident	77 Å²	77	57.9 Å²	57.9	41%	0.412	30%	0.298	S	S	.	.	S	Bend	trans	-102.6	128.4	173.3	-64.1	-22	0	0	0	109	S505 Y653	D503-S505 PolarHBondContact O-N 2.82Å; D503-S505 VanDerWaalsContact O-N 3.13Å; D503-Y653 PolarHBondContact OD1-OH 3.23Å
504	I	68.3	Low	75.7	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.015	33%	0.329	C	S	.	.			trans	-84	92.7	176.8	-48.7	175.3	0	0	0	107.2	L643 L646 N647 L700 R721 L723	I504-L643 HydrophobicContact CB-CD2 4.25Å; I504-L643 HydrophobicContact CG2-CD2 3.4Å; I504-L646 HydrophobicContact CD1-CB 4.34Å; I504-L646 HydrophobicContact CD1-CD1 4.37Å; I504-N647 PolarHBondContact O-ND2 3.1Å; I504-L700 HydrophobicContact CD1-CD1 3.55Å; I504-R721 HydrophobicContact CD1-CG 3.94Å; I504-R721 HydrophobicContact CG1-CG 3.85Å; I504-L723 HydrophobicContact CD1-CB 4.34Å; I504-L723 HydrophobicContact CG2-CB 3.81Å
505	S	68.5	Low	73.9	Confident	96 Å²	96	66 Å²	66	67%	0.671	34%	0.343	S	S	*	.			trans	-91.9	-28.2	172	57.7	0	0	0	0	112.2	D503	D503-S505 PolarHBondContact O-N 2.82Å; D503-S505 VanDerWaalsContact O-N 3.13Å
506	T	74.8	Confident	71.9	Confident	82 Å²	82	68 Å²	68	50%	0.503	36%	0.355	S	S	.	.	S	Bend	trans	-139.2	155.9	-177.9	60.6	0	0	0	0	110.8
507	I	77.8	Confident	70.3	Confident	10 Å²	10	62.9 Å²	62.9	5%	0.051	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.7	169.7	-50.2	-176	0	0	0	106.8	V509 R639 L643 F698 L723 D725	I507-V509 PolarHBondContact O-N 2.9Å; I507-R639 VanDerWaalsContact CB-NH2 3.3Å; I507-R639 HydrophobicContact CD1-CG 3.82Å; I507-R639 VanDerWaalsContact CD1-NE 3.32Å; I507-L643 HydrophobicContact CG1-CD2 4.38Å; I507-F698 HydrophobicContact CD1-CE1 4.18Å; I507-F698 HydrophobicContact CG2-CD1 4.33Å; I507-F698 HydrophobicContact CG2-CE1 4.33Å; I507-L723 HydrophobicContact CD1-CD2 3.84Å; I507-L723 HydrophobicContact CG1-CD2 3.85Å; I507-L723 HydrophobicContact CG1-CG 4.32Å; I507-L723 HydrophobicContact CG2-CG 4.16Å; I507-D725 HydrophobicContact CG2-CB 3.9Å
508	T	80.4	Confident	68.2	Low	28 Å²	28	62.4 Å²	62.4	17%	0.172	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	121.1	175.9	-51.1	0	0	0	0	109.1	Q510 I601 Q722 L723 L724 D725 I729	T508-Q510 WeakPolarHBondContact CG2-O 3.32Å; T508-I601 HydrophobicContact CG2-CD1 3.71Å; T508-Q722 WeakPolarHBondContact OG1-CG 3.03Å; T508-Q722 PolarHBondContact OG1-NE2 3.3Å; T508-L723 PolarHBondContact N-O 3.31Å; T508-L724 HydrophobicContact CG2-CD2 4.49Å; T508-D725 PolarHBondContact O-N 3.04Å; T508-I729 HydrophobicContact CG2-CD1 4.39Å; T508-I729 WeakPolarHBondContact O-CD1 3.05Å
509	V	80.6	Confident	65.8	Low	48 Å²	48	69.5 Å²	69.5	29%	0.291	37%	0.368	S	S	.	.			trans	-117.7	-5.9	-177.8	-68.5	0	0	0	0	112.7	I507 D725 N728 I729 N732	I507-V509 PolarHBondContact O-N 2.9Å; V509-D725 HydrophobicContact CG1-CB 3.96Å; V509-N728 HydrophobicContact CB-CB 3.84Å; V509-N728 HydrophobicContact CG1-CB 4.18Å; V509-N728 CarbonylContact O-C 3.57Å; V509-N728 WeakPolarHBondContact O-CB 3.49Å; V509-I729 WeakPolarHBondContact O-CA 3.44Å; V509-I729 PolarHBondContact O-N 3.45Å; V509-N732 PolarHBondContact O-ND2 3.03Å
510	Q	78.9	Confident	63.1	Low	123 Å²	123	69.5 Å²	69.5	58%	0.575	38%	0.375	S	S	*	.	S	Bend	trans	-132.6	145.5	-177.9	-75.7	-179.2	-12.6	0	0	110.4	T508 N732	T508-Q510 WeakPolarHBondContact CG2-O 3.32Å; Q510-N732 HydrophobicContact CG-CB 4.2Å
511	P	77.3	Confident	60.5	Low	28 Å²	28	74.2 Å²	74.2	18%	0.182	41%	0.406	C	S	.	.			trans	-64.4	146.6	170	28.6	-33.1	0	0	0	110.2
512	S	73.3	Confident	58.4	Low	60 Å²	60	78.9 Å²	78.9	42%	0.42	44%	0.44	S	S	.	.	S	Bend	trans	-87.4	-16.2	179.2	63.2	0	0	0	0	113.7	Q600 I601	S512-Q600 VanDerWaalsContact OG-CA 3.25Å; S512-Q600 WeakPolarHBondContact OG-CA 3.15Å; S512-Q600 WeakPolarHBondContact OG-CB 3.32Å; S512-I601 PolarHBondContact N-O 3.41Å; S512-I601 PolarHBondContact OG-N 3.4Å; S512-I601 PolarHBondContact OG-O 2.83Å
513	S	58.9	Low	56.4	Low	25 Å²	25	82.9 Å²	82.9	18%	0.175	47%	0.466	C	S	.	.			trans	-119.4	137.6	178.5	57.7	0	0	0	0	110.2	Q515 Y611	S513-Q515 PolarHBondContact O-N 3.31Å; S513-Y611 PolarHBondContact OG-OH 3.09Å
514	N	50.5	Low	54.4	Low	166 Å²	166	88.9 Å²	88.9	89%	0.888	49%	0.488	S	S	*	.			trans	-80.2	4.2	171.7	-72	-4.1	0	0	0	112.6
515	Q	45.7	Very low	52.6	Low	148 Å²	148	96.2 Å²	96.2	69%	0.692	53%	0.527	S	S	*	.			trans	-95.5	104	-173.8	-69.7	178.6	-23.2	0	0	110.3	S513 Y611	S513-Q515 PolarHBondContact O-N 3.31Å; Q515-Y611 PolarHBondContact O-OH 2.91Å
516	T	43.9	Very low	50.9	Low	61 Å²	61	99.7 Å²	99.7	37%	0.374	53%	0.532	S	S	.	.			trans	-85.1	104.3	163.5	53.2	0	0	0	0	107.8	F518	T516-F518 PolarHBondContact O-N 2.71Å
517	I	45	Very low	48.9	Very low	67 Å²	67	103.9 Å²	103.9	34%	0.344	55%	0.546	S	S	.	.			trans	-66.5	-23.3	-170.5	-65.7	171.2	0	0	0	112.9	Y611 I763	I517-Y611 HydrophobicContact CD1-CE2 4.46Å; I517-I763 HydrophobicContact CD1-CG2 4.4Å
518	F	34.6	Very low	46.6	Very low	106 Å²	106	111 Å²	111	47%	0.465	58%	0.584	S	S	.	*			trans	-106.2	81.6	-177.1	-66.7	-80.2	0	0	0	112.5	T516 E604	T516-F518 PolarHBondContact O-N 2.71Å; F518-E604 HydrophobicContact CD2-CG 4.02Å
519	Q	28.6	Very low	44.1	Very low	168 Å²	168	117.7 Å²	117.7	79%	0.785	62%	0.618	S	S	*	*			trans	-88.2	111.9	148	-75.7	-175.7	-17.7	0	0	106.8
520	I	27.3	Very low	41.6	Very low	128 Å²	128	125.4 Å²	125.4	66%	0.656	64%	0.642	S	S	*	*			trans	-50.8	123.8	177.2	-62.2	165.4	0	0	0	108.3	S522 T606	I520-S522 PolarHBondContact O-N 3.11Å; I520-T606 HydrophobicContact CD1-CG2 4.4Å
521	P	27.4	Very low	39.3	Very low	107 Å²	107	126.6 Å²	126.6	70%	0.695	65%	0.647	S	S	*	*			trans	-59.7	123.9	174.3	-17.1	29.4	0	0	0	108.4	P523	P521-P523 WeakPolarHBondContact O-CD 3.46Å
522	S	34.2	Very low	36.9	Very low	112 Å²	112	135.3 Å²	135.3	78%	0.783	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	46.2	-166.4	51.2	0	0	0	0	117.2	I520	I520-S522 PolarHBondContact O-N 3.11Å
523	P	34	Very low	34.6	Very low	97 Å²	97	143.5 Å²	143.5	63%	0.63	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-13.6	158.8	-2.4	21.8	0	0	0	115.5	P521 L525	P521-P523 WeakPolarHBondContact O-CD 3.46Å; P523-L525 VanDerWaalsContact C-N 3.3Å; P523-L525 PolarHBondContact O-N 2.88Å
524	F	31.6	Very low	33.2	Very low	203 Å²	203	152.1 Å²	152.1	89%	0.89	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-1.5	-175.1	-106.7	-82.5	0	0	0	115.9
525	L	31.9	Very low	32.2	Very low	157 Å²	157	149.6 Å²	149.6	82%	0.822	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	11.3	176.4	-75.7	172.9	0	0	0	114.5	P523	P523-L525 VanDerWaalsContact C-N 3.3Å; P523-L525 PolarHBondContact O-N 2.88Å
526	Q	32.8	Very low	31.2	Very low	169 Å²	169	150.4 Å²	150.4	79%	0.79	73%	0.73	S	S	*	*	S	Bend	trans	-100.8	11.6	-179.6	-107.8	-175.6	-2.6	0	0	116.2
527	H	32.6	Very low	30.6	Very low	171 Å²	171	155.7 Å²	155.7	79%	0.792	75%	0.75	S	S	*	*	S	Bend	trans	-121.6	-3	178.5	-116.9	43.9	0	0	0	119.8
528	N	29.9	Very low	29.7	Very low	159 Å²	159	163.3 Å²	163.3	85%	0.85	77%	0.774	S	S	*	*	S	Bend	trans	-125.4	24.4	179.5	-75.8	-25.9	0	0	0	115.8
529	L	27.9	Very low	29.5	Very low	168 Å²	168	166.3 Å²	166.3	88%	0.88	79%	0.794	S	S	*	*			trans	-103.5	49.1	166.5	-68.9	170.1	0	0	0	111.2
530	R	27.5	Very low	29.4	Very low	210 Å²	210	167.6 Å²	167.6	79%	0.792	80%	0.797	S	S	*	*	S	Bend	trans	-101.5	117.9	159.9	-85.2	-171.4	-178.8	178.9	1.6	108.8
531	H	29.4	Very low	29.5	Very low	148 Å²	148	173 Å²	173	69%	0.685	81%	0.809	S	S	*	*			trans	74.4	67.9	158	-51	-48.5	0	0	0	118.4
532	Y	27.5	Very low	29.5	Very low	212 Å²	212	172.6 Å²	172.6	83%	0.831	81%	0.809	S	S	*	*			trans	-117.9	77.9	140.7	-80.2	-79.8	0	0	0	109.4	Y534	Y532-Y534 VanDerWaalsContact C-N 3.29Å; Y532-Y534 HydrophobicContact CD1-CD2 4.25Å; Y532-Y534 HydrophobicContact CD1-CE2 4.15Å; Y532-Y534 PolarHBondContact O-N 2.68Å; Y532-Y534 VanDerWaalsContact O-N 3.12Å
533	R	25.2	Very low	29	Very low	232 Å²	232	173.7 Å²	173.7	88%	0.875	81%	0.806	S	S	*	*			trans	-72.9	87	160.5	-85.1	-178.6	173.9	160.8	-2.7	107.2
534	Y	29.1	Very low	28.6	Very low	205 Å²	205	176 Å²	176	80%	0.804	81%	0.808	S	S	*	*			trans	-85.1	114	162.2	-104	-86.1	0	0	0	108.5	Y532	Y532-Y534 VanDerWaalsContact C-N 3.29Å; Y532-Y534 HydrophobicContact CD1-CD2 4.25Å; Y532-Y534 HydrophobicContact CD1-CE2 4.15Å; Y532-Y534 PolarHBondContact O-N 2.68Å; Y532-Y534 VanDerWaalsContact O-N 3.12Å
535	T	29.8	Very low	28.2	Very low	113 Å²	113	174.7 Å²	174.7	69%	0.693	80%	0.798	S	S	*	*			trans	-66.2	127.9	-178.6	38.7	0	0	0	0	110.8	H537	T535-H537 PolarHBondContact O-N 3.42Å
536	N	25.3	Very low	28.1	Very low	165 Å²	165	177.9 Å²	177.9	88%	0.882	80%	0.801	S	S	*	*			trans	-62	99.4	173.2	-82.3	-39.1	0	0	0	111.1	R538	N536-R538 PolarHBondContact O-N 2.83Å
537	H	30.5	Very low	27.7	Very low	173 Å²	173	174.4 Å²	174.4	80%	0.801	80%	0.796	S	S	*	*			trans	-87.7	104.4	158.6	-91.7	-71.5	0	0	0	110.2	T535 L539	T535-H537 PolarHBondContact O-N 3.42Å; H537-L539 PolarHBondContact O-N 3.25Å
538	R	27.3	Very low	27.5	Very low	227 Å²	227	174 Å²	174	86%	0.857	80%	0.798	S	S	*	*			trans	-39.8	120.1	162.7	-73.9	169.3	166.6	163.2	-3.9	111.4	N536	N536-R538 PolarHBondContact O-N 2.83Å
539	L	30.6	Very low	27.3	Very low	169 Å²	169	174.5 Å²	174.5	89%	0.885	80%	0.795	S	S	*	*			trans	-119.3	90.3	153	-83.4	164.1	0	0	0	108.2	H537 R541	H537-L539 PolarHBondContact O-N 3.25Å; L539-R541 PolarHBondContact O-N 2.73Å
540	K	26.2	Very low	27.2	Very low	195 Å²	195	171.7 Å²	171.7	85%	0.848	79%	0.79	S	S	*	*			trans	-62	110.3	158.4	-79	-179.8	172.6	-178	0	107.1
541	R	29.6	Very low	27.1	Very low	242 Å²	242	168.1 Å²	168.1	91%	0.913	79%	0.786	S	S	*	*			trans	-121.6	100.6	157	-104.4	-178.6	171.9	167.4	-2.6	108.4	L539	L539-R541 PolarHBondContact O-N 2.73Å
542	S	25.8	Very low	27.1	Very low	97 Å²	97	167.4 Å²	167.4	68%	0.678	79%	0.787	S	S	*	*			trans	-65.4	142.6	170.7	44.4	0	0	0	0	112.1
543	N	23.8	Very low	26.9	Very low	135 Å²	135	166.8 Å²	166.8	72%	0.722	79%	0.789	S	S	*	*			trans	50.7	120.3	139.9	-58.1	-9.9	0	0	0	118.5
544	H	25.3	Very low	27	Very low	147 Å²	147	164.8 Å²	164.8	68%	0.681	79%	0.787	S	S	*	*				169.6	143.8	83.7	-108.7	-42.6	0	0	0	113
545	Y	24.6	Very low	26.9	Very low	174 Å²	174	163.7 Å²	163.7	68%	0.682	79%	0.787	S	S	*	*			trans	57.6	110.6	150.5	-74.2	-74.6	0	0	0	120.4
546	Y	28.5	Very low	26.8	Very low	224 Å²	224	163.2 Å²	163.2	88%	0.878	79%	0.788	S	S	*	*				-157	96.7	105.7	-96.7	-74.5	0	0	0	108.8
547	S	25.6	Very low	26.9	Very low	97 Å²	97	165.4 Å²	165.4	68%	0.678	79%	0.789	S	S	*	*			trans	-85.8	102.8	167.7	57.1	0	0	0	0	108.7
548	L	27.9	Very low	26.8	Very low	161 Å²	161	165.9 Å²	165.9	84%	0.843	79%	0.792	S	S	*	*			trans	-100.4	109.8	164.2	-92.8	154.9	0	0	0	108.3	S550	L548-S550 PolarHBondContact O-N 2.72Å
549	H	25.4	Very low	26.7	Very low	170 Å²	170	164.5 Å²	164.5	79%	0.787	79%	0.792	S	S	*	*			trans	-53.6	123.9	173.2	-87.7	-36.3	0	0	0	111.9
550	S	26.8	Very low	26.7	Very low	109 Å²	109	163.8 Å²	163.8	76%	0.762	79%	0.788	S	S	*	*			trans	-136.3	75.7	153.6	164.5	0	0	0	0	107.6	L548 N552	L548-S550 PolarHBondContact O-N 2.72Å; S550-N552 PolarHBondContact O-N 3.13Å
551	N	24.9	Very low	26.6	Very low	136 Å²	136	162.1 Å²	162.1	73%	0.727	79%	0.786	S	S	*	*			trans	-66.4	104.9	160.3	-87.9	-26.2	0	0	0	107.8
552	N	29.2	Very low	26.4	Very low	132 Å²	132	157 Å²	157	71%	0.706	78%	0.777	S	S	*	*			trans	-143.6	98.7	151	-94.1	-29.7	0	0	0	109.4	S550 F554	S550-N552 PolarHBondContact O-N 3.13Å; N552-F554 VanDerWaalsContact C-N 3.34Å; N552-F554 HydrophobicContact CB-CD2 4.33Å; N552-F554 HydrophobicContact CB-CE2 4.41Å; N552-F554 PolarHBondContact O-N 2.99Å
553	K	24.1	Very low	26.4	Very low	199 Å²	199	163.1 Å²	163.1	87%	0.865	79%	0.787	S	S	*	*			trans	-56.7	91.4	164.9	-75.9	171.6	173.3	169.3	0	109.2
554	F	26.5	Very low	26.4	Very low	191 Å²	191	163.6 Å²	163.6	84%	0.838	79%	0.789	S	S	*	*			trans	-95.9	85.9	157.9	-85.1	-78.2	0	0	0	109.1	N552 S556	N552-F554 VanDerWaalsContact C-N 3.34Å; N552-F554 HydrophobicContact CB-CD2 4.33Å; N552-F554 HydrophobicContact CB-CE2 4.41Å; N552-F554 PolarHBondContact O-N 2.99Å; F554-S556 PolarHBondContact O-N 3.06Å
555	K	26.9	Very low	26.4	Very low	182 Å²	182	164.9 Å²	164.9	79%	0.791	80%	0.799	S	S	*	*			trans	-62.4	111.1	164	-82.3	-176.4	174.3	-177.7	0	108.9
556	S	27.8	Very low	26.5	Very low	103 Å²	103	164.4 Å²	164.4	72%	0.72	80%	0.8	S	S	*	*			trans	49.3	89.2	134.2	64.4	0	0	0	0	118.5	F554	F554-S556 PolarHBondContact O-N 3.06Å
557	K	28	Very low	26.4	Very low	210 Å²	210	159 Å²	159	91%	0.913	79%	0.79	S	S	*	*			trans	-150.2	43.6	149.6	-91.3	-161.9	-178	177.6	0	113.1
558	Q	27.4	Very low	26.3	Very low	184 Å²	184	163.2 Å²	163.2	86%	0.86	80%	0.802	S	S	*	*			trans	-133.5	58.7	173.6	-78.8	-178.8	-9	0	0	112.2
559	K	26	Very low	26.2	Very low	198 Å²	198	162.2 Å²	162.2	86%	0.861	80%	0.798	S	S	*	*			trans	-115.8	134	155	-93.1	-175.9	174.9	179.6	0	107.5
560	I	29.2	Very low	26.2	Very low	154 Å²	154	159.6 Å²	159.6	79%	0.79	80%	0.795	S	S	*	*			trans	88.2	59.3	175.4	-41.1	165.7	0	0	0	114
561	I	25.4	Very low	26.1	Very low	159 Å²	159	161.4 Å²	161.4	82%	0.815	80%	0.795	S	S	*	*			trans	-96.3	82.8	143.1	-63.1	174.3	0	0	0	105.3
562	N	24.9	Very low	25.9	Very low	135 Å²	135	160.7 Å²	160.7	72%	0.722	80%	0.796	S	S	*	*			trans	-160.1	131.4	165	-96.2	-19.6	0	0	0	105.9
563	Y	25.6	Very low	25.7	Very low	226 Å²	226	163.8 Å²	163.8	89%	0.886	80%	0.803	S	S	*	*			trans	86	83.4	-167.3	-71.4	-89.7	0	0	0	115
564	L	25.1	Very low	25.8	Very low	144 Å²	144	161 Å²	161	75%	0.754	80%	0.797	S	S	*	*			trans	-171.5	56.5	135.3	-96.9	160.7	0	0	0	109.3	K566	L564-K566 HydrophobicContact CD2-CD 3.83Å; L564-K566 HydrophobicContact CD2-CG 3.82Å; L564-K566 PolarHBondContact O-N 3.11Å
565	I	25.1	Very low	25.7	Very low	174 Å²	174	158.8 Å²	158.8	89%	0.892	79%	0.793	S	S	*	*			trans	-78.4	77	155.8	-61.1	175.9	0	0	0	105.5	T567	I565-T567 VanDerWaalsContact C-N 3.34Å; I565-T567 PolarHBondContact O-N 2.8Å
566	K	25.4	Very low	25.7	Very low	164 Å²	164	158.4 Å²	158.4	71%	0.713	79%	0.794	S	S	*	*			trans	-70	95.3	168.1	-104.7	178.4	178.3	-180	0	107.4	L564 M568	L564-K566 HydrophobicContact CD2-CD 3.83Å; L564-K566 HydrophobicContact CD2-CG 3.82Å; L564-K566 PolarHBondContact O-N 3.11Å; K566-M568 PolarHBondContact O-N 2.96Å
567	T	27.9	Very low	25.4	Very low	110 Å²	110	162.4 Å²	162.4	68%	0.675	80%	0.801	S	S	*	*			trans	30.6	88.4	132.5	55.4	0	0	0	0	114.9	I565 N569	I565-T567 VanDerWaalsContact C-N 3.34Å; I565-T567 PolarHBondContact O-N 2.8Å; T567-N569 PolarHBondContact O-N 3.2Å
568	M	23.3	Very low	25.3	Very low	187 Å²	187	161.5 Å²	161.5	92%	0.921	80%	0.798	S	S	*	*			trans	-65.9	110.7	159.2	-81.2	-77.6	157.8	0	0	108.3	K566	K566-M568 PolarHBondContact O-N 2.96Å
569	N	24.6	Very low	25.2	Very low	140 Å²	140	163.3 Å²	163.3	75%	0.749	80%	0.798	S	S	*	*			trans	-59	133	178.2	-76.6	-22.4	0	0	0	110.9	T567 I571	T567-N569 PolarHBondContact O-N 3.2Å; N569-I571 PolarHBondContact O-N 3.4Å
570	P	25.4	Very low	25	Very low	114 Å²	114	162.9 Å²	162.9	74%	0.74	80%	0.799	S	S	*	*			trans	-73.3	126.1	175.8	29.8	-30.1	0	0	0	109.5	T572	P570-T572 PolarHBondContact O-N 3.3Å; P570-T572 VanDerWaalsContact O-N 3.12Å
571	I	24.5	Very low	24.8	Very low	147 Å²	147	162.5 Å²	162.5	75%	0.754	80%	0.797	S	S	*	*			trans	-59.3	111.6	176.8	-64.9	163.5	0	0	0	108.7	N569 F573	N569-I571 PolarHBondContact O-N 3.4Å; I571-F573 HydrophobicContact CG2-CE2 4.45Å; I571-F573 PolarHBondContact O-N 3.01Å
572	T	22.4	Very low	24.8	Very low	122 Å²	122	159.8 Å²	159.8	75%	0.748	79%	0.79	S	S	*	*			trans	-69.4	104.1	172.8	33.9	0	0	0	0	109.6	P570 I574	P570-T572 PolarHBondContact O-N 3.3Å; P570-T572 VanDerWaalsContact O-N 3.12Å; T572-I574 PolarHBondContact O-N 3.11Å
573	F	25.1	Very low	24.9	Very low	197 Å²	197	160.4 Å²	160.4	86%	0.864	79%	0.793	S	S	*	*			trans	-71.6	107.7	168.7	-87.6	-89.6	0	0	0	109.5	I571	I571-F573 HydrophobicContact CG2-CE2 4.45Å; I571-F573 PolarHBondContact O-N 3.01Å
574	I	25.2	Very low	24.9	Very low	141 Å²	141	155.7 Å²	155.7	72%	0.723	79%	0.787	S	S	*	*			trans	-81.4	122.6	173.9	-67.9	170.9	0	0	0	109.3	T572	T572-I574 PolarHBondContact O-N 3.11Å
575	N	23.9	Very low	25.2	Very low	143 Å²	143	157.6 Å²	157.6	77%	0.765	79%	0.79	S	S	*	*			trans	29	97.6	152.8	-65.6	-15.2	0	0	0	118.8
576	H	27.2	Very low	25.4	Very low	174 Å²	174	157.2 Å²	157.2	81%	0.806	79%	0.789	S	S	*	*			trans	-127.6	117.8	140.7	-94.4	-72.4	0	0	0	109.7	F578	H576-F578 PolarHBondContact O-N 3.4Å; H576-F578 VanDerWaalsContact O-N 3.13Å
577	Q	21.7	Very low	25.4	Very low	187 Å²	187	159.5 Å²	159.5	87%	0.874	80%	0.799	S	S	*	*			trans	-60.6	104.1	-179.5	-67	171.2	-34.1	0	0	110.3
578	F	26.6	Very low	25.4	Very low	191 Å²	191	165 Å²	165	84%	0.838	81%	0.807	S	S	*	*			trans	-96	120.4	165.8	-83.8	-81.5	0	0	0	109.4	H576 H580	H576-F578 PolarHBondContact O-N 3.4Å; H576-F578 VanDerWaalsContact O-N 3.13Å; F578-H580 PolarHBondContact O-N 3.49Å
579	Y	24.1	Very low	25.7	Very low	223 Å²	223	165.3 Å²	165.3	88%	0.875	81%	0.806	S	S	*	*			trans	-49.6	125.5	179.9	-81.1	-99.2	0	0	0	112.3	I581	Y579-I581 PolarHBondContact O-N 3.35Å
580	H	22.5	Very low	26.2	Very low	189 Å²	189	165.5 Å²	165.5	88%	0.875	81%	0.806	S	S	*	*			trans	-58.6	110.6	173	-101.2	-84.4	0	0	0	111	F578	F578-H580 PolarHBondContact O-N 3.49Å
581	I	26	Very low	26.7	Very low	146 Å²	146	170.7 Å²	170.7	75%	0.749	81%	0.811	S	S	*	*			trans	-96	118	160.1	-60.2	175.2	0	0	0	107	Y579 N583	Y579-I581 PolarHBondContact O-N 3.35Å; I581-N583 PolarHBondContact O-N 2.86Å; I581-N583 VanDerWaalsContact O-N 3.11Å
582	P	25.1	Very low	27.6	Very low	102 Å²	102	171.7 Å²	171.7	66%	0.662	82%	0.818	S	S	*	*			trans	-79.5	99.7	-169.1	30.4	-31.5	0	0	0	110.6	V584	P582-V584 VanDerWaalsContact C-N 3.28Å; P582-V584 PolarHBondContact O-N 3.02Å
583	N	27.1	Very low	28.4	Very low	148 Å²	148	169.9 Å²	169.9	79%	0.791	80%	0.803	S	S	*	*			trans	-74	84.6	164.5	-83.6	-23.4	0	0	0	109.6	I581 F585	I581-N583 PolarHBondContact O-N 2.86Å; I581-N583 VanDerWaalsContact O-N 3.11Å; N583-F585 PolarHBondContact O-N 2.89Å
584	V	24.8	Very low	29.8	Very low	127 Å²	127	165.6 Å²	165.6	77%	0.77	80%	0.795	S	S	*	*			trans	-72.7	81.5	162.7	-177.2	0	0	0	0	107.9	P582	P582-V584 VanDerWaalsContact C-N 3.28Å; P582-V584 PolarHBondContact O-N 3.02Å
585	F	31	Very low	31.4	Very low	183 Å²	183	166.7 Å²	166.7	80%	0.803	79%	0.791	S	S	*	*			trans	-133.4	103.2	159.9	-86.6	-78.2	0	0	0	108.5	N583 K587	N583-F585 PolarHBondContact O-N 2.89Å; F585-K587 PolarHBondContact O-N 3.39Å
586	L	28.6	Very low	33.6	Very low	166 Å²	166	166.6 Å²	166.6	87%	0.869	78%	0.784	S	S	*	*			trans	-0.5	103.4	161.6	-72.6	150.6	0	0	0	114.4	R588	L586-R588 PolarHBondContact O-N 3.28Å
587	K	25.6	Very low	35.9	Very low	212 Å²	212	161.6 Å²	161.6	92%	0.922	76%	0.763	S	S	*	*			trans	-60.1	73.7	163.7	-74.6	179.1	175.6	176	0	110	F585 Q589	F585-K587 PolarHBondContact O-N 3.39Å; K587-Q589 PolarHBondContact O-N 3.23Å
588	R	28.9	Very low	38.8	Very low	225 Å²	225	152.8 Å²	152.8	85%	0.849	72%	0.722	S	S	*	*			trans	-70.8	115.7	150.7	-91.4	-177.3	171.7	165.8	-1.6	105.3	L586 L590	L586-R588 PolarHBondContact O-N 3.28Å; R588-L590 PolarHBondContact O-N 2.93Å
589	Q	29.8	Very low	41.7	Very low	194 Å²	194	143.9 Å²	143.9	91%	0.907	68%	0.683	S	S	*	*			trans	-53.3	86	174.2	-69.4	178.4	-20.1	0	0	109.6	K587 R591	K587-Q589 PolarHBondContact O-N 3.23Å; Q589-R591 PolarHBondContact O-N 3.18Å
590	L	34.7	Very low	44.6	Very low	144 Å²	144	136.6 Å²	136.6	75%	0.754	66%	0.657	S	S	*	*			trans	-68.8	102.6	168.5	-79.9	158.5	0	0	0	105.2	R588 N592	R588-L590 PolarHBondContact O-N 2.93Å; L590-N592 PolarHBondContact O-N 3.29Å; L590-N592 VanDerWaalsContact O-N 3.15Å
591	R	37	Very low	47.6	Very low	224 Å²	224	128 Å²	128	85%	0.845	62%	0.618	S	S	*	*			trans	-44.6	124	165.8	-69.9	179.6	-178.8	177.3	-0.2	107.1	Q589 I593	Q589-R591 PolarHBondContact O-N 3.18Å; R591-I593 PolarHBondContact O-N 2.86Å
592	N	41.4	Very low	50.4	Low	167 Å²	167	121 Å²	121	89%	0.893	58%	0.582	S	S	*	*			trans	-62.3	81	176.6	-79.6	-21.9	0	0	0	109.4	L590 P594	L590-N592 PolarHBondContact O-N 3.29Å; L590-N592 VanDerWaalsContact O-N 3.15Å; N592-P594 VanDerWaalsContact O-CD 3.31Å; N592-P594 WeakPolarHBondContact O-CD 3.23Å
593	I	40.3	Very low	53.1	Low	84 Å²	84	116.5 Å²	116.5	43%	0.431	55%	0.552	S	S	.	*			trans	-75.2	115.4	172.2	-62.2	167.3	0	0	0	105.9	Y497 R591 Y595	Y497-I593 HydrophobicContact CD1-CB 4.3Å; Y497-I593 HydrophobicContact CD1-CG2 4.29Å; Y497-I593 HydrophobicContact CE1-CB 4.46Å; Y497-I593 HydrophobicContact CE1-CD1 4.01Å; Y497-I593 HydrophobicContact CE2-CD1 4.42Å; Y497-I593 HydrophobicContact CG-CG2 4.33Å; R591-I593 PolarHBondContact O-N 2.86Å; I593-Y595 PolarHBondContact O-N 3.24Å
594	P	54.8	Low	55.6	Low	107 Å²	107	111 Å²	111	70%	0.695	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-62.8	130.7	179.2	24.7	-32.2	0	0	0	109.7	N592 K596	N592-P594 VanDerWaalsContact O-CD 3.31Å; N592-P594 WeakPolarHBondContact O-CD 3.23Å; P594-K596 PolarHBondContact O-N 3.18Å
595	Y	59.1	Low	58.1	Low	164 Å²	164	106.9 Å²	106.9	64%	0.643	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-61.2	130.2	175.8	-75.1	-92.7	0	0	0	109.7	Y497 I593	Y497-Y595 VanDerWaalsContact C-CD1 3.5Å; Y497-Y595 WeakPolarHBondContact O-CA 3.4Å; I593-Y595 PolarHBondContact O-N 3.24Å
596	K	70	Confident	60	Low	141 Å²	141	101.8 Å²	101.8	61%	0.613	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.1	173.3	-66.1	-175.6	179.3	-178.1	0	109	Y497 T498 Y499 P594 G598	Y497-K596 PolarHBondContact O-N 3.44Å; T498-K596 VanDerWaalsContact CA-O 3.3Å; T498-K596 WeakPolarHBondContact CA-O 3.15Å; Y499-K596 PolarHBondContact N-O 3.21Å; P594-K596 PolarHBondContact O-N 3.18Å; K596-G598 PolarHBondContact O-N 2.81Å
597	N	75.9	Confident	61.8	Low	70 Å²	70	95.7 Å²	95.7	37%	0.374	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	122.1	171.9	-171.4	7.9	0	0	0	109.2	Y499 F599	Y499-N597 PolarHBondContact O-OD1 3.5Å; N597-F599 VanDerWaalsContact CG-O 3.23Å; N597-F599 PolarHBondContact ND2-O 3.46Å; N597-F599 PolarHBondContact OD1-N 3.2Å; N597-F599 PolarHBondContact OD1-O 3.46Å
598	G	81.6	Confident	64.2	Low	1 Å²	1	88.2 Å²	88.2	1%	0.01	42%	0.422	C	S	.	.	S	Bend	trans	-87.3	-11.7	-178.6	0	0	0	0	0	113.5	Y499 F500 K596 L614 K615	Y499-G598 PolarHBondContact O-N 3.2Å; F500-G598 VanDerWaalsContact CE1-C 3.48Å; F500-G598 WeakPolarHBondContact CE1-O 2.94Å; K596-G598 PolarHBondContact O-N 2.81Å; G598-L614 WeakPolarHBondContact O-CA 3.32Å; G598-K615 PolarHBondContact O-N 3.28Å
599	F	87.3	Confident	66.6	Low	5 Å²	5	77.5 Å²	77.5	2%	0.022	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.9	178	178.4	-108.2	0	0	0	110	F500 P501 N597 I601 I612 L614 I701 I703 V720 Q722	F500-F599 HydrophobicContact CD1-CB 4.17Å; P501-F599 HydrophobicContact CG-CD1 4.4Å; N597-F599 VanDerWaalsContact CG-O 3.23Å; N597-F599 PolarHBondContact ND2-O 3.46Å; N597-F599 PolarHBondContact OD1-N 3.2Å; N597-F599 PolarHBondContact OD1-O 3.46Å; F599-I601 HydrophobicContact CE1-CD1 3.85Å; F599-I601 HydrophobicContact CE1-CG1 3.79Å; F599-I601 HydrophobicContact CZ-CG1 4.07Å; F599-I612 HydrophobicContact CE2-CB 3.74Å; F599-I612 HydrophobicContact CE2-CD1 3.95Å; F599-I612 HydrophobicContact CE2-CG1 4.44Å; F599-I612 HydrophobicContact CE2-CG2 3.7Å; F599-I612 HydrophobicContact CZ-CB 4.26Å; F599-I612 HydrophobicContact CZ-CG2 3.71Å; F599-L614 HydrophobicContact CB-CD1 4.44Å; F599-L614 HydrophobicContact CD2-CD1 4Å; F599-I701 HydrophobicContact CZ-CD1 4.03Å; F599-I701 HydrophobicContact CZ-CG2 4.26Å; F599-I703 HydrophobicContact CD2-CD1 4.1Å; F599-I703 HydrophobicContact CE2-CD1 3.81Å; F599-V720 HydrophobicContact CB-CG1 4.31Å; F599-V720 HydrophobicContact CB-CG2 3.97Å; F599-V720 HydrophobicContact CD1-CG1 3.64Å; F599-V720 HydrophobicContact CD2-CG1 3.9Å; F599-V720 HydrophobicContact CD2-CG2 4.06Å; F599-V720 HydrophobicContact CE1-CG1 3.81Å; F599-V720 HydrophobicContact CE2-CG1 4.05Å; F599-V720 HydrophobicContact CG-CG1 3.68Å; F599-V720 HydrophobicContact CG-CG2 4.04Å; F599-V720 HydrophobicContact CZ-CG1 4.01Å; F599-Q722 HydrophobicContact CE1-CB 4.04Å; F599-Q722 HydrophobicContact CE1-CG 4.32Å
600	Q	85.9	Confident	69.2	Low	70 Å²	70	68.3 Å²	68.3	33%	0.327	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.3	-179.4	-73.9	-179.3	-17.8	0	0	109.7	S512 I612 S613	S512-Q600 VanDerWaalsContact OG-CA 3.25Å; S512-Q600 WeakPolarHBondContact OG-CA 3.15Å; S512-Q600 WeakPolarHBondContact OG-CB 3.32Å; Q600-I612 CarbonylContact O-C 3.54Å; Q600-I612 WeakPolarHBondContact O-CA 3.22Å; Q600-S613 PolarHBondContact N-O 3.39Å; Q600-S613 PolarHBondContact O-N 2.75Å
601	I	85.3	Confident	71.7	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.2	178.2	-62.2	148.6	0	0	0	107.6	T508 S512 F599 V610 L724 I729	T508-I601 HydrophobicContact CG2-CD1 3.71Å; S512-I601 PolarHBondContact N-O 3.41Å; S512-I601 PolarHBondContact OG-N 3.4Å; S512-I601 PolarHBondContact OG-O 2.83Å; F599-I601 HydrophobicContact CE1-CD1 3.85Å; F599-I601 HydrophobicContact CE1-CG1 3.79Å; F599-I601 HydrophobicContact CZ-CG1 4.07Å; I601-V610 HydrophobicContact CG2-CG1 3.53Å; I601-L724 HydrophobicContact CD1-CD2 3.38Å; I601-L724 HydrophobicContact CG1-CD2 4.28Å; I601-I729 HydrophobicContact CG2-CD1 4.39Å; I601-I729 HydrophobicContact CG2-CG2 4.27Å
602	G	84.3	Confident	74	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	-179.9	171.3	0	0	0	0	0	111.2	Y611	G602-Y611 VanDerWaalsContact C-CD1 3.43Å; G602-Y611 PolarHBondContact N-O 3.35Å; G602-Y611 PolarHBondContact O-N 2.54Å
603	V	82.1	Confident	76.2	Confident	6 Å²	6	44 Å²	44	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.9	-177.7	-66.4	0	0	0	0	111.7	I729 I730	V603-I729 HydrophobicContact CG1-CG2 3.36Å; V603-I730 HydrophobicContact CG1-CG1 4.02Å
604	E	78.7	Confident	78.5	Confident	32 Å²	32	40 Å²	40	15%	0.15	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.1	166.5	-175.5	-175.1	-170.4	0	0	108.2	F518 T606 S607 H608 Q609	F518-E604 HydrophobicContact CD2-CG 4.02Å; E604-T606 VanDerWaalsContact C-N 3.32Å; E604-T606 WeakPolarHBondContact CG-OG1 3.42Å; E604-T606 PolarHBondContact O-N 3.03Å; E604-T606 PolarHBondContact OE1-OG1 3.43Å; E604-T606 VanDerWaalsContact OE1-OG1 3.06Å; E604-S607 WeakPolarHBondContact CG-OG 3.26Å; E604-S607 PolarHBondContact OE2-OG 3.21Å; E604-H608 WeakPolarHBondContact O-CA 3.21Å; E604-H608 PolarHBondContact O-N 2.84Å; E604-Q609 PolarHBondContact N-O 3.12Å; E604-Q609 PolarHBondContact O-N 3.46Å; E604-Q609 VanDerWaalsContact O-N 3.1Å
605	C	77.4	Confident	80	Confident	42 Å²	42	38.1 Å²	38.1	28%	0.284	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.1	-172.1	-62.1	0	0	0	0	114.4	C734	C605-C734 WeakPolarHBondContact CA-SG 3.41Å; C605-C734 HydrophobicContact CB-CB 3.7Å; C605-C734 WeakPolarHBondContact CB-SG 3.34Å; C605-C734 WeakPolarHBondContact SG-CA 3.4Å; C605-C734 WeakPolarHBondContact SG-CB 3.37Å; C605-C734 CovalentContact SG-SG 2.04Å; C605-C734 PolarHBondContact SG-SG 2.84Å
606	T	71	Confident	81.4	Confident	76 Å²	76	30.5 Å²	30.5	47%	0.466	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-42.1	176.3	42.4	0	0	0	0	111.8	I520 E604	I520-T606 HydrophobicContact CD1-CG2 4.4Å; E604-T606 VanDerWaalsContact C-N 3.32Å; E604-T606 WeakPolarHBondContact CG-OG1 3.42Å; E604-T606 PolarHBondContact O-N 3.03Å; E604-T606 PolarHBondContact OE1-OG1 3.43Å; E604-T606 VanDerWaalsContact OE1-OG1 3.06Å
607	S	67	Low	82.3	Confident	38 Å²	38	25 Å²	25	27%	0.266	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-4.1	-178.9	57.6	0	0	0	0	113.4	E604 Q609	E604-S607 WeakPolarHBondContact CG-OG 3.26Å; E604-S607 PolarHBondContact OE2-OG 3.21Å; S607-Q609 PolarHBondContact O-N 3.13Å; S607-Q609 WeakPolarHBondContact OG-CB 3.47Å
608	H	76.7	Confident	82.7	Confident	54 Å²	54	24.4 Å²	24.4	25%	0.25	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	45.2	-168.4	-62.2	90	0	0	0	111.7	E604 Y690 H691 I730 Y735	E604-H608 WeakPolarHBondContact O-CA 3.21Å; E604-H608 PolarHBondContact O-N 2.84Å; H608-Y690 WeakPolarHBondContact O-CA 3.4Å; H608-H691 PolarHBondContact O-N 3.42Å; H608-I730 HydrophobicContact CB-CG2 4.25Å; H608-I730 WeakPolarHBondContact O-CD1 3.16Å; H608-Y735 AromaticContact CD2-CE2 3.95Å; H608-Y735 PolarHBondContact CE1-OH 2.78Å; H608-Y735 AromaticContact NE2-CE2 3.56Å; H608-Y735 AromaticContact NE2-CZ 3.52Å; H608-Y735 PolarHBondContact NE2-OH 2.82Å
609	Q	79.1	Confident	82.9	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.1	-175.3	-168.1	173.5	2.3	0	0	110.7	E604 S607 T686 I687 Y690 S759	E604-Q609 PolarHBondContact N-O 3.12Å; E604-Q609 PolarHBondContact O-N 3.46Å; E604-Q609 VanDerWaalsContact O-N 3.1Å; S607-Q609 PolarHBondContact O-N 3.13Å; S607-Q609 WeakPolarHBondContact OG-CB 3.47Å; Q609-T686 PolarHBondContact NE2-OG1 3.22Å; Q609-I687 WeakPolarHBondContact CG-O 3.34Å; Q609-I687 PolarHBondContact NE2-O 2.91Å; Q609-Y690 HydrophobicContact CB-CD1 3.84Å; Q609-Y690 HydrophobicContact CB-CE1 3.62Å; Q609-Y690 VanDerWaalsContact CD-CE1 3.44Å; Q609-Y690 VanDerWaalsContact CD-CZ 3.46Å; Q609-Y690 VanDerWaalsContact CD-OH 3.23Å; Q609-Y690 HydrophobicContact CG-CD1 3.95Å; Q609-Y690 HydrophobicContact CG-CE1 3.49Å; Q609-Y690 VanDerWaalsContact CG-CE1 3.49Å; Q609-Y690 PolarHBondContact NE2-OH 3.11Å; Q609-Y690 PolarHBondContact OE1-OH 3.38Å; Q609-S759 PolarHBondContact NE2-O 3.02Å; Q609-S759 PolarHBondContact OE1-O 3.26Å; Q609-S759 PolarHBondContact OE1-OG 2.03Å
610	V	83.4	Confident	82.8	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138	171.8	-179.6	0	0	0	0	109.9	I601 I687 A689 L724 T726 I729 I730	I601-V610 HydrophobicContact CG2-CG1 3.53Å; V610-I687 HydrophobicContact CB-CD1 4.25Å; V610-I687 HydrophobicContact CB-CG1 4.16Å; V610-I687 HydrophobicContact CG1-CD1 4Å; V610-I687 HydrophobicContact CG1-CG1 4.24Å; V610-I687 WeakPolarHBondContact O-CG1 3.43Å; V610-I687 PolarHBondContact O-N 2.84Å; V610-A689 HydrophobicContact CB-CB 4.2Å; V610-A689 HydrophobicContact CG2-CB 4.42Å; V610-A689 PolarHBondContact N-O 3.43Å; V610-L724 HydrophobicContact CG1-CD1 4.12Å; V610-T726 HydrophobicContact CG2-CG2 4.07Å; V610-I729 HydrophobicContact CG2-CG2 4.15Å; V610-I730 HydrophobicContact CG2-CD1 4.16Å; V610-I730 HydrophobicContact CG2-CG1 4.28Å
611	Y	86.8	Confident	82.9	Confident	9 Å²	9	24 Å²	24	4%	0.035	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.7	167.9	75.6	-97.2	0	0	0	110.7	S513 Q515 I517 G602 L685 I763	S513-Y611 PolarHBondContact OG-OH 3.09Å; Q515-Y611 PolarHBondContact O-OH 2.91Å; I517-Y611 HydrophobicContact CD1-CE2 4.46Å; G602-Y611 VanDerWaalsContact C-CD1 3.43Å; G602-Y611 PolarHBondContact N-O 3.35Å; G602-Y611 PolarHBondContact O-N 2.54Å; Y611-L685 WeakPolarHBondContact CA-O 3.44Å; Y611-L685 WeakPolarHBondContact CB-O 3.31Å; Y611-I763 HydrophobicContact CD1-CD1 4.39Å; Y611-I763 HydrophobicContact CD2-CD1 4.08Å; Y611-I763 HydrophobicContact CG-CD1 3.84Å
612	I	86.7	Confident	83	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.1	175.7	63.8	169.5	0	0	0	110	F599 Q600 I625 E684 L685 I687 I701 I703	F599-I612 HydrophobicContact CE2-CB 3.74Å; F599-I612 HydrophobicContact CE2-CD1 3.95Å; F599-I612 HydrophobicContact CE2-CG1 4.44Å; F599-I612 HydrophobicContact CE2-CG2 3.7Å; F599-I612 HydrophobicContact CZ-CB 4.26Å; F599-I612 HydrophobicContact CZ-CG2 3.71Å; Q600-I612 CarbonylContact O-C 3.54Å; Q600-I612 WeakPolarHBondContact O-CA 3.22Å; I612-I625 HydrophobicContact CD1-CD1 4.42Å; I612-I625 HydrophobicContact CD1-CG2 4.16Å; I612-E684 WeakPolarHBondContact O-CA 3.49Å; I612-L685 HydrophobicContact CD1-CD1 3.91Å; I612-L685 HydrophobicContact CD1-CD2 4.02Å; I612-L685 HydrophobicContact CD1-CG 3.98Å; I612-L685 HydrophobicContact CG1-CD1 3.92Å; I612-L685 HydrophobicContact CG1-CD2 3.97Å; I612-L685 HydrophobicContact CG1-CG 3.6Å; I612-L685 PolarHBondContact N-O 3.43Å; I612-L685 PolarHBondContact O-N 3.01Å; I612-L685 VanDerWaalsContact O-N 3.1Å; I612-I687 HydrophobicContact CD1-CG2 4.12Å; I612-I687 HydrophobicContact CG1-CG2 4.09Å; I612-I687 HydrophobicContact CG2-CD1 3.98Å; I612-I687 HydrophobicContact CG2-CG1 4.42Å; I612-I687 HydrophobicContact CG2-CG2 4.32Å; I612-I701 HydrophobicContact CG2-CD1 4.17Å; I612-I703 HydrophobicContact CD1-CD1 3.95Å
613	S	87	Confident	83.2	Confident	15 Å²	15	24 Å²	24	11%	0.105	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.2	169.7	-176.4	0	0	0	0	108.3	Q600 E684	Q600-S613 PolarHBondContact N-O 3.39Å; Q600-S613 PolarHBondContact O-N 2.75Å; S613-E684 PolarHBondContact OG-OE1 3.09Å
614	L	87.7	Confident	83.5	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.5	-176.5	-174.2	75.8	0	0	0	109.3	F500 G598 F599 V616 Y623 S682 L683 I703 V720	F500-L614 HydrophobicContact CD1-CD1 4.11Å; F500-L614 HydrophobicContact CE1-CD1 3.61Å; F500-L614 HydrophobicContact CE1-CG 4.46Å; G598-L614 WeakPolarHBondContact O-CA 3.32Å; F599-L614 HydrophobicContact CB-CD1 4.44Å; F599-L614 HydrophobicContact CD2-CD1 4Å; L614-V616 HydrophobicContact CD2-CG1 4.19Å; L614-V616 HydrophobicContact CG-CG1 4.39Å; L614-V616 PolarHBondContact O-N 2.9Å; L614-Y623 HydrophobicContact CD2-CD1 3.48Å; L614-Y623 VanDerWaalsContact CD2-CD1 3.48Å; L614-Y623 HydrophobicContact CD2-CE1 3.47Å; L614-Y623 VanDerWaalsContact CD2-CE1 3.47Å; L614-Y623 HydrophobicContact CD2-CG 4.4Å; L614-S682 CarbonylContact O-C 3.57Å; L614-S682 VanDerWaalsContact O-CA 3.22Å; L614-S682 WeakPolarHBondContact O-CA 3.34Å; L614-L683 HydrophobicContact CB-CB 4.44Å; L614-L683 PolarHBondContact N-O 2.93Å; L614-L683 PolarHBondContact O-N 3.47Å; L614-I703 HydrophobicContact CD1-CD1 4.19Å; L614-I703 HydrophobicContact CD2-CG2 4.43Å; L614-V720 HydrophobicContact CD1-CG2 4Å
615	K	86.6	Confident	83.9	Confident	66 Å²	66	23 Å²	23	29%	0.287	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	126.7	167.8	-67.1	-166.3	177.2	-172.1	0	109.8	P495 T498 F500 G598 H681	P495-K615 HydrophobicContact CG-CB 4.13Å; P495-K615 WeakPolarHBondContact CG-O 3.27Å; T498-K615 HydrophobicContact CG2-CB 4.23Å; T498-K615 HydrophobicContact CG2-CD 3.77Å; F500-K615 WeakPolarHBondContact CZ-O 3.4Å; G598-K615 PolarHBondContact O-N 3.28Å; K615-H681 WeakPolarHBondContact CA-O 3.45Å
616	V	88.4	Confident	84.3	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.024	12%	0.115	C	C	.	.			trans	-111.4	157.7	-177.9	-58.9	0	0	0	0	111.2	L614 Y623 T676 M680 H681 L683	L614-V616 HydrophobicContact CD2-CG1 4.19Å; L614-V616 HydrophobicContact CG-CG1 4.39Å; L614-V616 PolarHBondContact O-N 2.9Å; V616-Y623 HydrophobicContact CB-CE2 4.38Å; V616-Y623 WeakPolarHBondContact CB-OH 3.32Å; V616-Y623 HydrophobicContact CG1-CE1 4.22Å; V616-Y623 HydrophobicContact CG1-CE2 3.97Å; V616-Y623 WeakPolarHBondContact CG1-OH 3.03Å; V616-T676 HydrophobicContact CB-CG2 4.18Å; V616-T676 HydrophobicContact CG1-CG2 4.02Å; V616-T676 HydrophobicContact CG2-CG2 4.17Å; V616-M680 HydrophobicContact CG2-CB 3.97Å; V616-H681 PolarHBondContact N-O 3.09Å; V616-L683 HydrophobicContact CG1-CB 3.71Å
617	H	88.9	Confident	84.9	Confident	25 Å²	25	18.7 Å²	18.7	12%	0.116	10%	0.099	C	C	.	.			trans	-73.6	150.7	173.9	-167.8	-95.2	0	0	0	110.6	Q493 K494 N619 Q621	Q493-H617 HydrophobicContact CB-CB 4.31Å; Q493-H617 WeakPolarHBondContact O-CB 3.38Å; Q493-H617 PolarHBondContact OE1-CE1 2.93Å; Q493-H617 PolarHBondContact OE1-ND1 3.28Å; K494-H617 PolarHBondContact O-CD2 3.44Å; H617-N619 PolarHBondContact CE1-ND2 3.31Å; H617-N619 WeakPolarHBondContact ND1-CB 3.42Å; H617-N619 PolarHBondContact ND1-N 3.15Å; H617-N619 VanDerWaalsContact ND1-N 3.12Å; H617-N619 PolarHBondContact O-N 3.09Å; H617-Q621 HydrophobicContact CB-CG 4.13Å
618	V	84.4	Confident	85.5	Confident	59 Å²	59	17 Å²	17	36%	0.358	9%	0.087	S	C	.	.	S	Bend	trans	-66.2	-25.1	-178.5	-65.8	0	0	0	0	113.9	Y678 G679 H681	V618-Y678 WeakPolarHBondContact O-CA 3.4Å; V618-G679 PolarHBondContact O-N 3.43Å; V618-H681 VanDerWaalsContact CG1-CE1 3.4Å; V618-H681 WeakPolarHBondContact CG1-CE1 3.35Å
619	N	86.4	Confident	85.5	Confident	58 Å²	58	15.4 Å²	15.4	31%	0.31	8%	0.082	S	C	.	.	S	Bend	trans	-88	141.3	172.2	-61.5	-23.2	0	0	0	108.9	Q493 H617 Q621 Y678	Q493-N619 PolarHBondContact OE1-ND2 3Å; H617-N619 PolarHBondContact CE1-ND2 3.31Å; H617-N619 WeakPolarHBondContact ND1-CB 3.42Å; H617-N619 PolarHBondContact ND1-N 3.15Å; H617-N619 VanDerWaalsContact ND1-N 3.12Å; H617-N619 PolarHBondContact O-N 3.09Å; N619-Q621 WeakPolarHBondContact O-CG 3.1Å; N619-Q621 PolarHBondContact O-N 3.23Å; N619-Q621 PolarHBondContact O-NE2 2.65Å; N619-Y678 HydrophobicContact CB-CE1 4.35Å
620	P	85.2	Confident	85.1	Confident	8 Å²	8	16.2 Å²	16.2	5%	0.052	9%	0.087	C	C	.	.			trans	-46.8	128.6	175.4	-33	38	0	0	0	113.1	T676 Y678 N708	P620-T676 WeakPolarHBondContact CA-O 3.32Å; P620-T676 VanDerWaalsContact CB-O 3.25Å; P620-T676 WeakPolarHBondContact CB-O 3.44Å; P620-Y678 VanDerWaalsContact CD-CG 3.47Å; P620-Y678 HydrophobicContact CG-CD1 4.14Å; P620-Y678 HydrophobicContact CG-CD2 3.37Å; P620-Y678 HydrophobicContact CG-CE1 4.18Å; P620-Y678 HydrophobicContact CG-CE2 3.42Å; P620-Y678 VanDerWaalsContact CG-CE2 3.42Å; P620-Y678 HydrophobicContact CG-CG 3.75Å; P620-N708 HydrophobicContact CB-CB 3.65Å; P620-N708 VanDerWaalsContact O-CB 3.27Å; P620-N708 WeakPolarHBondContact O-CB 3.4Å; P620-N708 PolarHBondContact O-N 2.89Å
621	Q	87.6	Confident	84.2	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.7	171.7	-52.8	-65.7	-69.9	0	0	109.1	H617 N619 Y623 T676 V705 S706 N707	H617-Q621 HydrophobicContact CB-CG 4.13Å; N619-Q621 WeakPolarHBondContact O-CG 3.1Å; N619-Q621 PolarHBondContact O-N 3.23Å; N619-Q621 PolarHBondContact O-NE2 2.65Å; Q621-Y623 HydrophobicContact CB-CD2 4.37Å; Q621-Y623 HydrophobicContact CB-CE2 3.58Å; Q621-T676 PolarHBondContact N-OG1 3.3Å; Q621-T676 PolarHBondContact O-N 3.2Å; Q621-T676 PolarHBondContact O-OG1 2.89Å; Q621-V705 HydrophobicContact CB-CG1 3.96Å; Q621-V705 HydrophobicContact CG-CG1 4.45Å; Q621-S706 WeakPolarHBondContact CA-O 3.26Å; Q621-S706 WeakPolarHBondContact CB-O 3.48Å; Q621-S706 PolarHBondContact OE1-O 3.47Å; Q621-N707 PolarHBondContact NE2-ND2 2.79Å; Q621-N707 VanDerWaalsContact NE2-ND2 3.13Å
622	N	88	Confident	82.6	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.027	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.6	174.8	-61.7	-29.4	0	0	0	109.4	W624 Y673 Q675 V705 S706	N622-W624 HydrophobicContact CB-CH2 3.77Å; N622-W624 HydrophobicContact CB-CZ2 4.48Å; N622-W624 HydrophobicContact CB-CZ3 3.88Å; N622-Y673 HydrophobicContact CB-CE2 3.87Å; N622-Y673 PolarHBondContact OD1-OH 2.65Å; N622-Y673 VanDerWaalsContact OD1-OH 3.09Å; N622-Q675 WeakPolarHBondContact OD1-CG 3.09Å; N622-V705 CarbonylContact O-C 3.52Å; N622-V705 VanDerWaalsContact O-CA 3.26Å; N622-V705 WeakPolarHBondContact O-CA 3.42Å; N622-S706 PolarHBondContact N-O 3.42Å; N622-S706 PolarHBondContact O-N 3.28Å
623	Y	88.7	Confident	80.8	Confident	3 Å²	3	26.7 Å²	26.7	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.7	-177.4	-63.8	-97.7	0	0	0	109.9	L614 V616 Q621 Y673 C674 T676 I703 Y704 V705	L614-Y623 HydrophobicContact CD2-CD1 3.48Å; L614-Y623 VanDerWaalsContact CD2-CD1 3.48Å; L614-Y623 HydrophobicContact CD2-CE1 3.47Å; L614-Y623 VanDerWaalsContact CD2-CE1 3.47Å; L614-Y623 HydrophobicContact CD2-CG 4.4Å; V616-Y623 HydrophobicContact CB-CE2 4.38Å; V616-Y623 WeakPolarHBondContact CB-OH 3.32Å; V616-Y623 HydrophobicContact CG1-CE1 4.22Å; V616-Y623 HydrophobicContact CG1-CE2 3.97Å; V616-Y623 WeakPolarHBondContact CG1-OH 3.03Å; Q621-Y623 HydrophobicContact CB-CD2 4.37Å; Q621-Y623 HydrophobicContact CB-CE2 3.58Å; Y623-Y673 CarbonylContact O-C 3.54Å; Y623-Y673 WeakPolarHBondContact O-CA 3.34Å; Y623-C674 PolarHBondContact N-O 3.16Å; Y623-C674 PolarHBondContact O-N 3.39Å; Y623-T676 HydrophobicContact CD2-CG2 3.93Å; Y623-T676 HydrophobicContact CE2-CG2 3.5Å; Y623-I703 HydrophobicContact CD1-CG2 4.07Å; Y623-Y704 CarbonylContact C-O 3.58Å; Y623-Y704 WeakPolarHBondContact CA-O 3.28Å; Y623-V705 HydrophobicContact CD1-CB 4.32Å; Y623-V705 HydrophobicContact CD1-CG1 4.09Å; Y623-V705 HydrophobicContact CD1-CG2 3.42Å; Y623-V705 VanDerWaalsContact CD1-CG2 3.42Å; Y623-V705 HydrophobicContact CE1-CB 4.27Å; Y623-V705 HydrophobicContact CE1-CG1 3.73Å; Y623-V705 HydrophobicContact CE1-CG2 3.49Å; Y623-V705 VanDerWaalsContact CE1-CG2 3.49Å; Y623-V705 HydrophobicContact CG-CG2 4.39Å
624	W	87.7	Confident	79	Confident	16 Å²	16	29.8 Å²	29.8	6%	0.061	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.6	169.3	-64.3	-95.3	0	0	0	109	N622 Y626 Y673 I703 Y704 S706 K716	N622-W624 HydrophobicContact CB-CH2 3.77Å; N622-W624 HydrophobicContact CB-CZ2 4.48Å; N622-W624 HydrophobicContact CB-CZ3 3.88Å; W624-Y626 HydrophobicContact CB-CD2 4.4Å; W624-Y626 HydrophobicContact CB-CE2 3.58Å; W624-Y673 AromaticContact CD1-CD2 3.8Å; W624-Y673 HydrophobicContact CD2-CD2 4.16Å; W624-Y673 HydrophobicContact CD2-CE2 4.39Å; W624-Y673 AromaticContact CE2-CD2 3.64Å; W624-Y673 AromaticContact CE2-CE2 3.7Å; W624-Y673 HydrophobicContact CG-CD2 4.26Å; W624-Y673 HydrophobicContact CH2-CE2 4.29Å; W624-Y673 HydrophobicContact CZ2-CD2 4.1Å; W624-Y673 AromaticContact CZ2-CE2 3.66Å; W624-Y673 HydrophobicContact CZ2-CE2 3.66Å; W624-Y673 AromaticContact NE1-CD2 3.4Å; W624-Y673 AromaticContact NE1-CE2 3.87Å; W624-I703 WeakPolarHBondContact O-CA 3.38Å; W624-Y704 PolarHBondContact N-O 3.39Å; W624-Y704 PolarHBondContact O-N 3.08Å; W624-S706 VanDerWaalsContact CH2-OG 3.29Å; W624-S706 WeakPolarHBondContact CH2-OG 3.44Å; W624-S706 WeakPolarHBondContact CZ3-OG 3.48Å; W624-K716 HydrophobicContact CZ3-CB 4.26Å
625	I	87.3	Confident	77	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	113.1	-175.2	-57.3	158.4	0	0	0	107.9	I612 P671 I672 L683 L685 I687 I703	I612-I625 HydrophobicContact CD1-CD1 4.42Å; I612-I625 HydrophobicContact CD1-CG2 4.16Å; I625-P671 WeakPolarHBondContact O-CA 3.41Å; I625-I672 HydrophobicContact CB-CB 4.25Å; I625-I672 PolarHBondContact N-O 2.79Å; I625-I672 PolarHBondContact O-N 2.98Å; I625-L683 HydrophobicContact CD1-CD2 4.43Å; I625-L685 HydrophobicContact CD1-CD1 3.74Å; I625-L685 HydrophobicContact CD1-CD2 3.55Å; I625-L685 HydrophobicContact CD1-CG 4.29Å; I625-L685 HydrophobicContact CG2-CD1 4.47Å; I625-I687 HydrophobicContact CG2-CG2 4.49Å; I625-I703 HydrophobicContact CG1-CD1 4.36Å; I625-I703 HydrophobicContact CG1-CG1 4.18Å; I625-I703 HydrophobicContact CG1-CG2 4.12Å; I625-I703 HydrophobicContact CG2-CG1 4.28Å
626	Y	86.3	Confident	75.1	Confident	7 Å²	7	32.7 Å²	32.7	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	125.6	177.2	-58.5	-94.9	0	0	0	108.8	W624 F656 I669 P671 I701 L702 Y704	W624-Y626 HydrophobicContact CB-CD2 4.4Å; W624-Y626 HydrophobicContact CB-CE2 3.58Å; Y626-F656 HydrophobicContact CD1-CD1 4.02Å; Y626-F656 AromaticContact CD1-CD2 3.44Å; Y626-F656 HydrophobicContact CD1-CD2 3.44Å; Y626-F656 VanDerWaalsContact CD1-CD2 3.44Å; Y626-F656 AromaticContact CD1-CE1 3.91Å; Y626-F656 HydrophobicContact CD1-CE1 3.91Å; Y626-F656 AromaticContact CD1-CE2 3.27Å; Y626-F656 HydrophobicContact CD1-CE2 3.27Å; Y626-F656 AromaticContact CD1-CG 3.81Å; Y626-F656 HydrophobicContact CD1-CG 3.81Å; Y626-F656 AromaticContact CD1-CZ 3.54Å; Y626-F656 HydrophobicContact CD1-CZ 3.54Å; Y626-F656 AromaticContact CD2-CD2 3.58Å; Y626-F656 HydrophobicContact CD2-CD2 3.58Å; Y626-F656 HydrophobicContact CD2-CE2 4.02Å; Y626-F656 HydrophobicContact CD2-CG 4.21Å; Y626-F656 HydrophobicContact CE1-CB 4.11Å; Y626-F656 AromaticContact CE1-CD1 3.63Å; Y626-F656 HydrophobicContact CE1-CD1 3.63Å; Y626-F656 AromaticContact CE1-CD2 3.65Å; Y626-F656 HydrophobicContact CE1-CD2 3.65Å; Y626-F656 AromaticContact CE1-CE1 3.9Å; Y626-F656 HydrophobicContact CE1-CE1 3.9Å; Y626-F656 AromaticContact CE1-CE2 3.88Å; Y626-F656 HydrophobicContact CE1-CE2 3.88Å; Y626-F656 AromaticContact CE1-CG 3.51Å; Y626-F656 HydrophobicContact CE1-CG 3.51Å; Y626-F656 HydrophobicContact CE1-CZ 4.02Å; Y626-F656 HydrophobicContact CE2-CB 3.88Å; Y626-F656 AromaticContact CE2-CD2 3.77Å; Y626-F656 HydrophobicContact CE2-CD2 3.77Å; Y626-F656 AromaticContact CE2-CG 3.92Å; Y626-F656 HydrophobicContact CE2-CG 3.92Å; Y626-F656 AromaticContact CG-CD2 3.42Å; Y626-F656 HydrophobicContact CG-CD2 3.42Å; Y626-F656 VanDerWaalsContact CG-CD2 3.42Å; Y626-F656 AromaticContact CG-CE2 3.37Å; Y626-F656 HydrophobicContact CG-CE2 3.37Å; Y626-F656 HydrophobicContact CG-CG 4.17Å; Y626-F656 HydrophobicContact CG-CZ 4.11Å; Y626-F656 AromaticContact CZ-CD2 3.82Å; Y626-F656 AromaticContact CZ-CG 3.59Å; Y626-I669 HydrophobicContact CD1-CG2 4.06Å; Y626-P671 HydrophobicContact CD1-CB 3.58Å; Y626-P671 HydrophobicContact CD1-CG 4.12Å; Y626-P671 HydrophobicContact CE1-CB 3.44Å; Y626-P671 VanDerWaalsContact CE1-CB 3.44Å; Y626-P671 HydrophobicContact CE1-CG 3.56Å; Y626-P671 HydrophobicContact CE2-CB 4.43Å; Y626-P671 HydrophobicContact CG-CB 4.13Å; Y626-I701 WeakPolarHBondContact O-CA 3.33Å; Y626-L702 PolarHBondContact N-O 2.61Å; Y626-L702 PolarHBondContact O-N 2.83Å; Y626-Y704 AromaticContact CD2-CD2 3.84Å; Y626-Y704 HydrophobicContact CD2-CD2 3.84Å; Y626-Y704 HydrophobicContact CD2-CE2 4.12Å; Y626-Y704 AromaticContact CE2-CD2 3.64Å; Y626-Y704 HydrophobicContact CE2-CD2 3.64Å; Y626-Y704 HydrophobicContact CE2-CE2 4.13Å
627	T	83.1	Confident	73.3	Confident	22 Å²	22	37.2 Å²	37.2	14%	0.135	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.8	173.2	-56.6	0	0	0	0	107.6	I687 P688 A689 Y699	T627-I687 HydrophobicContact CG2-CD1 4.49Å; T627-P688 HydrophobicContact CG2-CG 4.15Å; T627-A689 HydrophobicContact CG2-CB 4.3Å; T627-Y699 HydrophobicContact CG2-CD1 3.83Å; T627-Y699 HydrophobicContact CG2-CG 4.47Å
628	L	79.9	Confident	71.9	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.2	-169.9	-53.5	171.2	0	0	0	110.1	V630 F656 L661 I665 I669 Y699 L700 L702	L628-V630 PolarHBondContact O-N 2.79Å; L628-F656 HydrophobicContact CD1-CE2 3.92Å; L628-F656 HydrophobicContact CD1-CZ 4.15Å; L628-F656 HydrophobicContact CD2-CE2 4.27Å; L628-F656 HydrophobicContact CD2-CZ 3.94Å; L628-L661 HydrophobicContact CD1-CD1 3.78Å; L628-L661 HydrophobicContact CD1-CD2 3.86Å; L628-L661 HydrophobicContact CD1-CG 4.48Å; L628-I665 HydrophobicContact CB-CD1 4.17Å; L628-I665 HydrophobicContact CD1-CD1 4.33Å; L628-I665 HydrophobicContact CD2-CD1 3.65Å; L628-I665 HydrophobicContact CG-CD1 4.26Å; L628-I669 HydrophobicContact CD2-CD1 3.92Å; L628-I669 HydrophobicContact CD2-CG1 4.14Å; L628-I669 HydrophobicContact CD2-CG2 3.67Å; L628-Y699 CarbonylContact O-C 3.58Å; L628-Y699 VanDerWaalsContact O-CA 3.28Å; L628-Y699 WeakPolarHBondContact O-CA 3.4Å; L628-L700 HydrophobicContact CB-CB 4.35Å; L628-L700 HydrophobicContact CD1-CD2 4.24Å; L628-L700 PolarHBondContact N-O 3.45Å; L628-L700 PolarHBondContact O-N 3.46Å; L628-L702 HydrophobicContact CD1-CD1 3.91Å
629	P	76	Confident	71.1	Confident	20 Å²	20	43.3 Å²	43.3	13%	0.13	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	133.1	171.1	30.2	-34.1	0	0	0	109.9	P696 Y699	P629-P696 HydrophobicContact CB-CB 3.92Å; P629-P696 HydrophobicContact CB-CG 3.3Å; P629-P696 HydrophobicContact CG-CG 4.49Å; P629-Y699 HydrophobicContact CB-CD1 4.45Å; P629-Y699 HydrophobicContact CB-CE1 4.25Å
630	V	72	Confident	70.1	Confident	18 Å²	18	45.3 Å²	45.3	11%	0.109	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.9	178.5	-177.6	0	0	0	0	108.8	L628 L642 F698 L700 L723	L628-V630 PolarHBondContact O-N 2.79Å; V630-L642 HydrophobicContact CG1-CD1 3.82Å; V630-L642 HydrophobicContact CG1-CD2 4.45Å; V630-F698 HydrophobicContact CB-CB 4.13Å; V630-F698 PolarHBondContact N-O 3.32Å; V630-L700 HydrophobicContact CG2-CB 3.7Å; V630-L723 HydrophobicContact CG2-CD1 3.99Å
631	F	63	Low	69.1	Low	81 Å²	81	49.5 Å²	49.5	36%	0.355	26%	0.261	S	S	.	.			trans	-72.9	133.9	175.1	-69	-82.5	0	0	0	110.7	Q664 L750	F631-Q664 WeakPolarHBondContact CE2-O 3.44Å; F631-L750 HydrophobicContact CE1-CD1 3.98Å; F631-L750 HydrophobicContact CE1-CG 4.5Å; F631-L750 HydrophobicContact CE2-CD1 4.41Å; F631-L750 HydrophobicContact CZ-CD1 3.44Å; F631-L750 VanDerWaalsContact CZ-CD1 3.44Å; F631-L750 HydrophobicContact CZ-CG 4.4Å
632	N	54.7	Low	68.2	Low	44 Å²	44	50.1 Å²	50.1	24%	0.235	26%	0.264	C	S	.	.			trans	-102.5	88.5	164.4	-152.9	37.8	0	0	0	106.3	V636	N632-V636 PolarHBondContact OD1-O 2.86Å; N632-V636 VanDerWaalsContact OD1-O 3.09Å
633	D	48.9	Very low	67.3	Low	104 Å²	104	50.6 Å²	50.6	56%	0.556	27%	0.266	S	S	*	.			trans	-60.2	146.1	165.5	-86.3	-28.6	0	0	0	107.8	S635 V636	D633-S635 PolarHBondContact O-N 3.25Å; D633-V636 PolarHBondContact O-N 3.39Å
634	D	47.2	Very low	66.3	Low	79 Å²	79	54.4 Å²	54.4	42%	0.422	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-52.9	-19.8	-179.5	-62.7	-29.9	0	0	0	113.2	V636 N637 K748	D634-V636 VanDerWaalsContact C-N 3.27Å; D634-V636 PolarHBondContact O-N 3.37Å; D634-N637 PolarHBondContact O-ND2 3.23Å; D634-K748 WeakPolarHBondContact OD2-CE 3.4Å; D634-K748 IonicContact OD2-NZ 3.11Å; D634-K748 PolarHBondContact OD2-NZ 2.79Å
635	S	45.8	Very low	65.4	Low	97 Å²	97	57.9 Å²	57.9	68%	0.678	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-69.6	-19.5	174.3	65.4	0	0	0	0	114.1	D633	D633-S635 PolarHBondContact O-N 3.25Å
636	V	47.1	Very low	64.7	Low	32 Å²	32	57.9 Å²	57.9	19%	0.194	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-103.1	35.5	-176.9	-158.4	0	0	0	0	111.2	N632 D633 D634 N638 L641 L642	N632-V636 PolarHBondContact OD1-O 2.86Å; N632-V636 VanDerWaalsContact OD1-O 3.09Å; D633-V636 PolarHBondContact O-N 3.39Å; D634-V636 VanDerWaalsContact C-N 3.27Å; D634-V636 PolarHBondContact O-N 3.37Å; V636-N638 PolarHBondContact O-N 3.1Å; V636-L641 HydrophobicContact CG1-CB 4.42Å; V636-L642 HydrophobicContact CG1-CB 3.67Å; V636-L642 HydrophobicContact CG1-CD1 4.23Å
637	N	50.7	Low	64	Low	100 Å²	100	59.9 Å²	59.9	54%	0.535	31%	0.311	S	S	.	.			trans	-57	-15.5	167.9	-77.3	-19.6	0	0	0	112.8	D634	D634-N637 PolarHBondContact O-ND2 3.23Å
638	N	60.6	Low	63.2	Low	87 Å²	87	62.1 Å²	62.1	47%	0.465	32%	0.323	S	S	.	.			trans	-94.4	102.3	177.6	-145	-13.2	0	0	0	111.1	V636 N640 L641 L642	V636-N638 PolarHBondContact O-N 3.1Å; N638-N640 PolarHBondContact O-N 3.3Å; N638-L641 HydrophobicContact CB-CB 4.25Å; N638-L641 HydrophobicContact CB-CD1 3.73Å; N638-L641 HydrophobicContact CB-CG 3.88Å; N638-L641 WeakPolarHBondContact O-CB 3.46Å; N638-L641 PolarHBondContact O-N 3.47Å; N638-L642 PolarHBondContact O-N 3.1Å
639	R	65.8	Low	62.4	Low	125 Å²	125	66.5 Å²	66.5	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-46.9	-35.2	176.2	-175.1	178.6	179.6	178.6	1.7	113.1	I507 L642 L643	I507-R639 VanDerWaalsContact CB-NH2 3.3Å; I507-R639 HydrophobicContact CD1-CG 3.82Å; I507-R639 VanDerWaalsContact CD1-NE 3.32Å; R639-L642 PolarHBondContact O-N 3.35Å; R639-L643 HydrophobicContact CG-CD1 4.35Å; R639-L643 WeakPolarHBondContact O-CG 3.28Å; R639-L643 PolarHBondContact O-N 3.47Å; R639-L643 VanDerWaalsContact O-N 3.13Å
640	N	67.4	Low	62	Low	100 Å²	100	65.9 Å²	65.9	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-67	-40.2	178.3	-64.9	-16.8	0	0	0	112.1	N638 L642 L643 D644	N638-N640 PolarHBondContact O-N 3.3Å; N640-L642 VanDerWaalsContact C-N 3.34Å; N640-L642 PolarHBondContact O-N 2.91Å; N640-L643 PolarHBondContact O-N 2.86Å; N640-D644 WeakPolarHBondContact O-CB 3.35Å; N640-D644 VanDerWaalsContact O-CG 3.25Å; N640-D644 PolarHBondContact O-N 3.37Å
641	L	64.1	Low	62.2	Low	96 Å²	96	65.5 Å²	65.5	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-38.6	176.6	-68.9	174.9	0	0	0	111.7	V636 N638 Y645	V636-L641 HydrophobicContact CG1-CB 4.42Å; N638-L641 HydrophobicContact CB-CB 4.25Å; N638-L641 HydrophobicContact CB-CD1 3.73Å; N638-L641 HydrophobicContact CB-CG 3.88Å; N638-L641 WeakPolarHBondContact O-CB 3.46Å; N638-L641 PolarHBondContact O-N 3.47Å; L641-Y645 WeakPolarHBondContact O-CB 3.47Å; L641-Y645 PolarHBondContact O-N 2.95Å
642	L	67.6	Low	63.4	Low	12 Å²	12	61.8 Å²	61.8	6%	0.063	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-47.6	174.3	-176	64.9	0	0	0	111.1	V630 V636 N638 R639 N640 Y645 L646 L723	V630-L642 HydrophobicContact CG1-CD1 3.82Å; V630-L642 HydrophobicContact CG1-CD2 4.45Å; V636-L642 HydrophobicContact CG1-CB 3.67Å; V636-L642 HydrophobicContact CG1-CD1 4.23Å; N638-L642 PolarHBondContact O-N 3.1Å; R639-L642 PolarHBondContact O-N 3.35Å; N640-L642 VanDerWaalsContact C-N 3.34Å; N640-L642 PolarHBondContact O-N 2.91Å; L642-Y645 PolarHBondContact O-N 3.26Å; L642-L646 HydrophobicContact CD1-CD1 4.35Å; L642-L646 HydrophobicContact CD1-CG 4.43Å; L642-L646 HydrophobicContact CG-CD1 4.09Å; L642-L646 WeakPolarHBondContact O-CB 3.24Å; L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å; L642-L646 PolarHBondContact O-N 2.9Å; L642-L723 HydrophobicContact CD2-CD2 4.09Å
643	L	70.2	Confident	65	Low	15 Å²	15	60.2 Å²	60.2	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-45.9	179.5	-71.8	171.3	0	0	0	111.5	I504 I507 R639 N640 L646 N647 L723	I504-L643 HydrophobicContact CB-CD2 4.25Å; I504-L643 HydrophobicContact CG2-CD2 3.4Å; I507-L643 HydrophobicContact CG1-CD2 4.38Å; R639-L643 HydrophobicContact CG-CD1 4.35Å; R639-L643 WeakPolarHBondContact O-CG 3.28Å; R639-L643 PolarHBondContact O-N 3.47Å; R639-L643 VanDerWaalsContact O-N 3.13Å; N640-L643 PolarHBondContact O-N 2.86Å; L643-L646 PolarHBondContact O-N 3.17Å; L643-N647 VanDerWaalsContact O-CB 3.28Å; L643-N647 WeakPolarHBondContact O-CB 3.34Å; L643-N647 VanDerWaalsContact O-CG 3.29Å; L643-N647 PolarHBondContact O-N 2.94Å; L643-N647 PolarHBondContact O-ND2 3.13Å; L643-L723 HydrophobicContact CD2-CD2 4.33Å
644	D	67.1	Low	66.9	Low	83 Å²	83	55.4 Å²	55.4	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-44.7	177	-72	-19.4	0	0	0	111	N640 L646 N647 N648	N640-D644 WeakPolarHBondContact O-CB 3.35Å; N640-D644 VanDerWaalsContact O-CG 3.25Å; N640-D644 PolarHBondContact O-N 3.37Å; D644-L646 PolarHBondContact O-N 3.41Å; D644-N647 PolarHBondContact O-N 3.01Å; D644-N648 WeakPolarHBondContact O-CB 3.4Å; D644-N648 PolarHBondContact O-N 3.05Å; D644-N648 PolarHBondContact O-ND2 3.34Å; D644-N648 VanDerWaalsContact O-ND2 3.1Å
645	Y	68.1	Low	68.7	Low	90 Å²	90	54.3 Å²	54.3	35%	0.353	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-48.9	176.8	-179.1	-93.8	0	0	0	111.9	L641 L642 N649 M650 Q664	L641-Y645 WeakPolarHBondContact O-CB 3.47Å; L641-Y645 PolarHBondContact O-N 2.95Å; L642-Y645 PolarHBondContact O-N 3.26Å; Y645-N649 HydrophobicContact CE2-CB 4.35Å; Y645-N649 WeakPolarHBondContact O-CB 2.66Å; Y645-N649 PolarHBondContact O-N 3.22Å; Y645-M650 HydrophobicContact CD1-CG 4.36Å; Y645-M650 HydrophobicContact CE1-CE 4.34Å; Y645-M650 HydrophobicContact CE1-CG 3.81Å; Y645-M650 HydrophobicContact CE1-SD 4.25Å; Y645-Q664 VanDerWaalsContact CZ-NE2 3.33Å; Y645-Q664 PolarHBondContact OH-NE2 3.07Å
646	L	73.2	Confident	70.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-44.1	179.3	-71.3	175.3	0	0	0	111.4	I504 L642 L643 D644 M650 T651 L700 R721 L723	I504-L646 HydrophobicContact CD1-CB 4.34Å; I504-L646 HydrophobicContact CD1-CD1 4.37Å; L642-L646 HydrophobicContact CD1-CD1 4.35Å; L642-L646 HydrophobicContact CD1-CG 4.43Å; L642-L646 HydrophobicContact CG-CD1 4.09Å; L642-L646 WeakPolarHBondContact O-CB 3.24Å; L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å; L642-L646 PolarHBondContact O-N 2.9Å; L643-L646 PolarHBondContact O-N 3.17Å; D644-L646 PolarHBondContact O-N 3.41Å; L646-M650 HydrophobicContact CD2-CE 3.91Å; L646-M650 WeakPolarHBondContact O-CB 3.31Å; L646-M650 PolarHBondContact O-N 3.24Å; L646-T651 PolarHBondContact O-OG1 3.22Å; L646-L700 HydrophobicContact CD2-CD2 4.3Å; L646-R721 PolarHBondContact O-NH2 2.79Å; L646-L723 HydrophobicContact CD1-CD1 4.3Å; L646-L723 HydrophobicContact CD1-CD2 3.81Å
647	N	72.5	Confident	71.8	Confident	48 Å²	48	49.1 Å²	49.1	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-42	-179.3	-75.2	-28.5	0	0	0	112.2	I504 L643 D644 T651 R721	I504-N647 PolarHBondContact O-ND2 3.1Å; L643-N647 VanDerWaalsContact O-CB 3.28Å; L643-N647 WeakPolarHBondContact O-CB 3.34Å; L643-N647 VanDerWaalsContact O-CG 3.29Å; L643-N647 PolarHBondContact O-N 2.94Å; L643-N647 PolarHBondContact O-ND2 3.13Å; D644-N647 PolarHBondContact O-N 3.01Å; N647-T651 PolarHBondContact O-OG1 3.44Å; N647-R721 VanDerWaalsContact CA-NH2 3.31Å; N647-R721 PolarHBondContact OD1-NH1 3.32Å; N647-R721 PolarHBondContact OD1-NH2 3.46Å
648	N	64.4	Low	72.7	Confident	69 Å²	69	48 Å²	48	37%	0.369	24%	0.235	S	C	.	.	H	α-helix	trans	-85.4	-37.2	-170.5	-64.2	-24.2	0	0	0	113.7	S410 D644	S410-N648 WeakPolarHBondContact CA-OD1 3.05Å; S410-N648 WeakPolarHBondContact CB-OD1 3.36Å; S410-N648 PolarHBondContact O-OD1 2.84Å; D644-N648 WeakPolarHBondContact O-CB 3.4Å; D644-N648 PolarHBondContact O-N 3.05Å; D644-N648 PolarHBondContact O-ND2 3.34Å; D644-N648 VanDerWaalsContact O-ND2 3.1Å
649	N	64.3	Low	72.9	Confident	95 Å²	95	51.6 Å²	51.6	51%	0.508	25%	0.248	S	C	.	.	H	α-helix	trans	-108.2	-19.8	-169.3	-70.1	-24.3	0	0	0	114.2	Y645 T660	Y645-N649 HydrophobicContact CE2-CB 4.35Å; Y645-N649 WeakPolarHBondContact O-CB 2.66Å; Y645-N649 PolarHBondContact O-N 3.22Å; N649-T660 WeakPolarHBondContact O-CG2 3.37Å
650	M	66.4	Low	73	Confident	7 Å²	7	48.1 Å²	48.1	3%	0.034	24%	0.241	C	C	.	.	S	Bend	trans	-118.9	9.8	-161.1	-67.4	-100.1	-77.8	0	0	114.6	Y645 L646 T660 L661 Q664	Y645-M650 HydrophobicContact CD1-CG 4.36Å; Y645-M650 HydrophobicContact CE1-CE 4.34Å; Y645-M650 HydrophobicContact CE1-CG 3.81Å; Y645-M650 HydrophobicContact CE1-SD 4.25Å; L646-M650 HydrophobicContact CD2-CE 3.91Å; L646-M650 WeakPolarHBondContact O-CB 3.31Å; L646-M650 PolarHBondContact O-N 3.24Å; M650-T660 HydrophobicContact SD-CG2 3.99Å; M650-L661 HydrophobicContact CE-CD2 3.23Å; M650-L661 HydrophobicContact CE-CG 4.27Å; M650-L661 HydrophobicContact SD-CD2 3.74Å; M650-L661 HydrophobicContact SD-CG 4.17Å; M650-Q664 PolarHBondContact SD-OE1 3.04Å
651	T	77.9	Confident	73	Confident	10 Å²	10	43.5 Å²	43.5	6%	0.061	22%	0.217	C	C	.	.			trans	-110.5	122.7	-176.7	-42.4	0	0	0	0	111.1	Y407 L646 N647 Y653 L718 R721	Y407-T651 VanDerWaalsContact CD1-O 3.29Å; Y407-T651 WeakPolarHBondContact CD1-O 3.33Å; Y407-T651 WeakPolarHBondContact CE1-O 3.21Å; L646-T651 PolarHBondContact O-OG1 3.22Å; N647-T651 PolarHBondContact O-OG1 3.44Å; T651-Y653 HydrophobicContact CG2-CD1 4.17Å; T651-Y653 HydrophobicContact CG2-CD2 4.16Å; T651-Y653 HydrophobicContact CG2-CE1 3.8Å; T651-Y653 HydrophobicContact CG2-CE2 3.78Å; T651-Y653 HydrophobicContact CG2-CG 4.35Å; T651-L718 HydrophobicContact CG2-CD2 3.95Å; T651-R721 PolarHBondContact OG1-NE 3.01Å; T651-R721 PolarHBondContact OG1-NH1 2.81Å; T651-R721 PolarHBondContact OG1-NH2 3.4Å; T651-R721 VanDerWaalsContact OG1-NH2 3.14Å
652	N	87	Confident	73	Confident	3 Å²	3	42 Å²	42	2%	0.016	21%	0.214	C	C	.	.			trans	-124.8	115.7	164.9	177.4	-22.4	0	0	0	107.6	C406 Y407 C654 E655 P657 Y704	C406-N652 CarbonylContact O-C 3.45Å; C406-N652 WeakPolarHBondContact O-CA 3.47Å; Y407-N652 HydrophobicContact CE1-CB 3.99Å; Y407-N652 PolarHBondContact OH-ND2 2.83Å; N652-C654 PolarHBondContact O-N 3.06Å; N652-C654 PolarHBondContact OD1-N 3.4Å; N652-E655 VanDerWaalsContact CB-O 3.22Å; N652-E655 WeakPolarHBondContact CB-O 3.44Å; N652-E655 WeakPolarHBondContact ND2-CG 3.43Å; N652-E655 PolarHBondContact OD1-N 2.9Å; N652-E655 VanDerWaalsContact OD1-N 3.07Å; N652-P657 HydrophobicContact CB-CB 4.04Å; N652-P657 HydrophobicContact CB-CG 4.26Å; N652-Y704 WeakPolarHBondContact O-CE1 3.26Å; N652-Y704 PolarHBondContact O-OH 2.83Å
653	Y	89.1	Confident	72.6	Confident	12 Å²	12	50.4 Å²	50.4	5%	0.047	25%	0.25	C	S	.	.	S	Bend	trans	-77.9	-10	-173.6	-64.1	-84.4	0	0	0	113.7	C406 L408 H447 D503 T651 L718	C406-Y653 WeakPolarHBondContact O-CD2 3.39Å; C406-Y653 PolarHBondContact O-N 2.69Å; L408-Y653 HydrophobicContact CB-CE2 4.29Å; L408-Y653 HydrophobicContact CD1-CD2 4.5Å; L408-Y653 HydrophobicContact CD1-CE2 3.7Å; L408-Y653 HydrophobicContact CG-CD2 4.35Å; L408-Y653 HydrophobicContact CG-CE2 3.78Å; H447-Y653 HydrophobicContact CB-CD1 3.49Å; H447-Y653 VanDerWaalsContact CB-CD1 3.49Å; H447-Y653 HydrophobicContact CB-CD2 3.58Å; H447-Y653 HydrophobicContact CB-CE1 3.97Å; H447-Y653 HydrophobicContact CB-CE2 4.06Å; H447-Y653 HydrophobicContact CB-CG 3.27Å; H447-Y653 AromaticContact CD2-CD1 3.75Å; H447-Y653 AromaticContact CG-CD1 3.29Å; H447-Y653 AromaticContact CG-CE1 3.64Å; H447-Y653 AromaticContact CG-CG 3.67Å; H447-Y653 AromaticContact ND1-CD1 3.58Å; H447-Y653 AromaticContact ND1-CE1 3.41Å; H447-Y653 WeakPolarHBondContact ND1-CE1 3.46Å; D503-Y653 PolarHBondContact OD1-OH 3.23Å; T651-Y653 HydrophobicContact CG2-CD1 4.17Å; T651-Y653 HydrophobicContact CG2-CD2 4.16Å; T651-Y653 HydrophobicContact CG2-CE1 3.8Å; T651-Y653 HydrophobicContact CG2-CE2 3.78Å; T651-Y653 HydrophobicContact CG2-CG 4.35Å; Y653-L718 HydrophobicContact CD1-CB 4.3Å; Y653-L718 HydrophobicContact CD1-CD2 3.77Å; Y653-L718 HydrophobicContact CE1-CD2 4.16Å; Y653-L718 PolarHBondContact O-N 2.93Å
654	C	87.8	Confident	72	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.02	26%	0.263	C	S	.	.	S	Bend	trans	-104.8	-28.3	-176.7	-61.9	0	0	0	0	113.1	C406 N652 K716	C406-C654 WeakPolarHBondContact CA-SG 3.19Å; C406-C654 HydrophobicContact CB-CB 3.7Å; C406-C654 WeakPolarHBondContact CB-SG 3.48Å; C406-C654 WeakPolarHBondContact SG-CB 2.97Å; C406-C654 CovalentContact SG-SG 2.03Å; C406-C654 PolarHBondContact SG-SG 3.02Å; N652-C654 PolarHBondContact O-N 3.06Å; N652-C654 PolarHBondContact OD1-N 3.4Å; C654-K716 VanDerWaalsContact O-CG 3.25Å; C654-K716 WeakPolarHBondContact O-CG 3.43Å
655	E	85.7	Confident	71.6	Confident	55 Å²	55	50 Å²	50	26%	0.257	25%	0.245	S	C	.	.	S	Bend	trans	-154.6	155.1	-179.5	62.7	179.8	-179.7	0	0	112.4	N652 P657 Y704	N652-E655 VanDerWaalsContact CB-O 3.22Å; N652-E655 WeakPolarHBondContact CB-O 3.44Å; N652-E655 WeakPolarHBondContact ND2-CG 3.43Å; N652-E655 PolarHBondContact OD1-N 2.9Å; N652-E655 VanDerWaalsContact OD1-N 3.07Å; E655-P657 WeakPolarHBondContact O-CD 3.35Å; E655-Y704 VanDerWaalsContact C-CE1 3.41Å; E655-Y704 PolarHBondContact O-OH 3.49Å
656	F	81.4	Confident	70.9	Confident	12 Å²	12	55.1 Å²	55.1	5%	0.053	27%	0.269	C	S	.	.			trans	-63.9	119.6	175.4	-177.8	-103.1	0	0	0	110.7	Y626 L628 K658 L661 I669 L702 Y704	Y626-F656 HydrophobicContact CD1-CD1 4.02Å; Y626-F656 AromaticContact CD1-CD2 3.44Å; Y626-F656 HydrophobicContact CD1-CD2 3.44Å; Y626-F656 VanDerWaalsContact CD1-CD2 3.44Å; Y626-F656 AromaticContact CD1-CE1 3.91Å; Y626-F656 HydrophobicContact CD1-CE1 3.91Å; Y626-F656 AromaticContact CD1-CE2 3.27Å; Y626-F656 HydrophobicContact CD1-CE2 3.27Å; Y626-F656 AromaticContact CD1-CG 3.81Å; Y626-F656 HydrophobicContact CD1-CG 3.81Å; Y626-F656 AromaticContact CD1-CZ 3.54Å; Y626-F656 HydrophobicContact CD1-CZ 3.54Å; Y626-F656 AromaticContact CD2-CD2 3.58Å; Y626-F656 HydrophobicContact CD2-CD2 3.58Å; Y626-F656 HydrophobicContact CD2-CE2 4.02Å; Y626-F656 HydrophobicContact CD2-CG 4.21Å; Y626-F656 HydrophobicContact CE1-CB 4.11Å; Y626-F656 AromaticContact CE1-CD1 3.63Å; Y626-F656 HydrophobicContact CE1-CD1 3.63Å; Y626-F656 AromaticContact CE1-CD2 3.65Å; Y626-F656 HydrophobicContact CE1-CD2 3.65Å; Y626-F656 AromaticContact CE1-CE1 3.9Å; Y626-F656 HydrophobicContact CE1-CE1 3.9Å; Y626-F656 AromaticContact CE1-CE2 3.88Å; Y626-F656 HydrophobicContact CE1-CE2 3.88Å; Y626-F656 AromaticContact CE1-CG 3.51Å; Y626-F656 HydrophobicContact CE1-CG 3.51Å; Y626-F656 HydrophobicContact CE1-CZ 4.02Å; Y626-F656 HydrophobicContact CE2-CB 3.88Å; Y626-F656 AromaticContact CE2-CD2 3.77Å; Y626-F656 HydrophobicContact CE2-CD2 3.77Å; Y626-F656 AromaticContact CE2-CG 3.92Å; Y626-F656 HydrophobicContact CE2-CG 3.92Å; Y626-F656 AromaticContact CG-CD2 3.42Å; Y626-F656 HydrophobicContact CG-CD2 3.42Å; Y626-F656 VanDerWaalsContact CG-CD2 3.42Å; Y626-F656 AromaticContact CG-CE2 3.37Å; Y626-F656 HydrophobicContact CG-CE2 3.37Å; Y626-F656 HydrophobicContact CG-CG 4.17Å; Y626-F656 HydrophobicContact CG-CZ 4.11Å; Y626-F656 AromaticContact CZ-CD2 3.82Å; Y626-F656 AromaticContact CZ-CG 3.59Å; L628-F656 HydrophobicContact CD1-CE2 3.92Å; L628-F656 HydrophobicContact CD1-CZ 4.15Å; L628-F656 HydrophobicContact CD2-CE2 4.27Å; L628-F656 HydrophobicContact CD2-CZ 3.94Å; F656-K658 VanDerWaalsContact C-N 3.25Å; F656-K658 HydrophobicContact CD1-CB 4.45Å; F656-K658 HydrophobicContact CD1-CG 3.52Å; F656-K658 HydrophobicContact CE1-CG 3.94Å; F656-K658 PolarHBondContact O-N 2.95Å; F656-L661 HydrophobicContact CD2-CD1 4.29Å; F656-L661 HydrophobicContact CE1-CD1 4.15Å; F656-L661 HydrophobicContact CE2-CD1 3.59Å; F656-L661 HydrophobicContact CZ-CD1 3.49Å; F656-L661 VanDerWaalsContact CZ-CD1 3.49Å; F656-I669 HydrophobicContact CE1-CD1 4.07Å; F656-I669 HydrophobicContact CZ-CD1 3.93Å; F656-I669 HydrophobicContact CZ-CG2 4.23Å; F656-L702 HydrophobicContact CD2-CD1 4.05Å; F656-L702 HydrophobicContact CE2-CD1 3.89Å; F656-Y704 HydrophobicContact CB-CD2 4.47Å; F656-Y704 HydrophobicContact CB-CE2 3.98Å; F656-Y704 HydrophobicContact CD2-CE2 4.01Å
657	P	75.6	Confident	70.1	Confident	9 Å²	9	57.7 Å²	57.7	6%	0.058	28%	0.282	C	S	.	.			trans	-79.8	68.6	-171.2	30.8	-32.6	0	0	0	112.1	N652 E655 H659 T660 L661	N652-P657 HydrophobicContact CB-CB 4.04Å; N652-P657 HydrophobicContact CB-CG 4.26Å; E655-P657 WeakPolarHBondContact O-CD 3.35Å; P657-H659 PolarHBondContact O-N 3.03Å; P657-T660 PolarHBondContact O-N 2.88Å; P657-L661 HydrophobicContact CG-CD1 3.73Å; P657-L661 HydrophobicContact CG-CG 4.32Å; P657-L661 WeakPolarHBondContact O-CB 3.21Å; P657-L661 PolarHBondContact O-N 2.72Å
658	K	70.2	Confident	69.3	Low	76 Å²	76	59.8 Å²	59.8	33%	0.33	30%	0.296	S	S	.	.	H	α-helix	trans	-49	-51	-175.4	-69.6	-174.1	-177.7	-177.9	0	112.9	F656 T660 L661 S662 Y780	F656-K658 VanDerWaalsContact C-N 3.25Å; F656-K658 HydrophobicContact CD1-CB 4.45Å; F656-K658 HydrophobicContact CD1-CG 3.52Å; F656-K658 HydrophobicContact CE1-CG 3.94Å; F656-K658 PolarHBondContact O-N 2.95Å; K658-T660 PolarHBondContact O-N 3.13Å; K658-L661 PolarHBondContact O-N 2.9Å; K658-S662 WeakPolarHBondContact O-CB 3.44Å; K658-S662 PolarHBondContact O-N 3.41Å; K658-S662 PolarHBondContact O-OG 2.85Å; K658-Y780 PolarHBondContact NZ-OH 3.49Å
659	H	64.9	Low	69.1	Low	162 Å²	162	58 Å²	58	75%	0.75	29%	0.286	S	S	*	.	H	α-helix	trans	-67.7	-33.5	-175.4	-71	-63.4	0	0	0	114.2	P657 S662	P657-H659 PolarHBondContact O-N 3.03Å; H659-S662 PolarHBondContact O-OG 2.95Å
660	T	67.4	Low	69.1	Low	53 Å²	53	55.9 Å²	55.9	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-71.8	-45.1	177.9	-49.6	0	0	0	0	109.6	N649 M650 P657 K658	N649-T660 WeakPolarHBondContact O-CG2 3.37Å; M650-T660 HydrophobicContact SD-CG2 3.99Å; P657-T660 PolarHBondContact O-N 2.88Å; K658-T660 PolarHBondContact O-N 3.13Å
661	L	67.5	Low	69.5	Low	3 Å²	3	55.5 Å²	55.5	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-74.6	-35.5	-178.3	-79.3	164.7	0	0	0	113.6	L628 M650 F656 P657 K658 K663 Q664 I665 L702	L628-L661 HydrophobicContact CD1-CD1 3.78Å; L628-L661 HydrophobicContact CD1-CD2 3.86Å; L628-L661 HydrophobicContact CD1-CG 4.48Å; M650-L661 HydrophobicContact CE-CD2 3.23Å; M650-L661 HydrophobicContact CE-CG 4.27Å; M650-L661 HydrophobicContact SD-CD2 3.74Å; M650-L661 HydrophobicContact SD-CG 4.17Å; F656-L661 HydrophobicContact CD2-CD1 4.29Å; F656-L661 HydrophobicContact CE1-CD1 4.15Å; F656-L661 HydrophobicContact CE2-CD1 3.59Å; F656-L661 HydrophobicContact CZ-CD1 3.49Å; F656-L661 VanDerWaalsContact CZ-CD1 3.49Å; P657-L661 HydrophobicContact CG-CD1 3.73Å; P657-L661 HydrophobicContact CG-CG 4.32Å; P657-L661 WeakPolarHBondContact O-CB 3.21Å; P657-L661 PolarHBondContact O-N 2.72Å; K658-L661 PolarHBondContact O-N 2.9Å; L661-K663 PolarHBondContact O-N 2.85Å; L661-Q664 PolarHBondContact O-N 2.8Å; L661-I665 HydrophobicContact CB-CD1 4.17Å; L661-I665 HydrophobicContact CD2-CD1 4.09Å; L661-I665 WeakPolarHBondContact O-CG1 3.49Å; L661-I665 PolarHBondContact O-N 2.92Å; L661-L702 HydrophobicContact CD1-CD1 4.4Å
662	S	64	Low	69.5	Low	65 Å²	65	55.7 Å²	55.7	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-64.1	-23.7	-178.2	67.4	0	0	0	0	113.3	K658 H659 Q664	K658-S662 WeakPolarHBondContact O-CB 3.44Å; K658-S662 PolarHBondContact O-N 3.41Å; K658-S662 PolarHBondContact O-OG 2.85Å; H659-S662 PolarHBondContact O-OG 2.95Å; S662-Q664 VanDerWaalsContact C-N 3.26Å
663	K	61	Low	69.3	Low	188 Å²	188	57.3 Å²	57.3	82%	0.817	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-26.7	173.6	-71.2	-175.6	178.9	-174.9	0	112.4	L661	L661-K663 PolarHBondContact O-N 2.85Å
664	Q	56.8	Low	68.9	Low	72 Å²	72	56.8 Å²	56.8	34%	0.336	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-36	178.8	-61.8	-160.7	-47.8	0	0	112.1	F631 Y645 M650 L661 S662 K666	F631-Q664 WeakPolarHBondContact CE2-O 3.44Å; Y645-Q664 VanDerWaalsContact CZ-NE2 3.33Å; Y645-Q664 PolarHBondContact OH-NE2 3.07Å; M650-Q664 PolarHBondContact SD-OE1 3.04Å; L661-Q664 PolarHBondContact O-N 2.8Å; S662-Q664 VanDerWaalsContact C-N 3.26Å; Q664-K666 PolarHBondContact O-N 2.82Å
665	I	57.7	Low	68.5	Low	16 Å²	16	59.9 Å²	59.9	8%	0.082	29%	0.29	C	S	.	.			trans	-92.7	100.3	-177	-55.5	173.9	0	0	0	107.6	L628 L661 Q667 I669	L628-I665 HydrophobicContact CB-CD1 4.17Å; L628-I665 HydrophobicContact CD1-CD1 4.33Å; L628-I665 HydrophobicContact CD2-CD1 3.65Å; L628-I665 HydrophobicContact CG-CD1 4.26Å; L661-I665 HydrophobicContact CB-CD1 4.17Å; L661-I665 HydrophobicContact CD2-CD1 4.09Å; L661-I665 WeakPolarHBondContact O-CG1 3.49Å; L661-I665 PolarHBondContact O-N 2.92Å; I665-Q667 HydrophobicContact CG2-CB 4.24Å; I665-Q667 WeakPolarHBondContact CG2-O 3.26Å; I665-Q667 PolarHBondContact O-N 2.84Å; I665-I669 HydrophobicContact CB-CD1 4.29Å; I665-I669 HydrophobicContact CD1-CD1 3.53Å; I665-I669 HydrophobicContact CD1-CG1 4.13Å; I665-I669 HydrophobicContact CG1-CD1 4.5Å; I665-I669 HydrophobicContact CG2-CD1 4.2Å; I665-I669 HydrophobicContact CG2-CG1 3.89Å
666	K	55.1	Low	68.4	Low	198 Å²	198	57.4 Å²	57.4	86%	0.861	28%	0.278	S	S	*	.			trans	-67	4.9	175.4	-68.1	-175.6	178.6	176.9	0	113.8	Q664	Q664-K666 PolarHBondContact O-N 2.82Å
667	Q	54.9	Low	68.3	Low	56 Å²	56	58.9 Å²	58.9	26%	0.262	29%	0.288	S	S	.	.	S	Bend	trans	-127	158.2	-168.7	-68.6	-178.9	-17.7	0	0	112.2	I665 I669 L750	I665-Q667 HydrophobicContact CG2-CB 4.24Å; I665-Q667 WeakPolarHBondContact CG2-O 3.26Å; I665-Q667 PolarHBondContact O-N 2.84Å; Q667-I669 PolarHBondContact O-N 2.82Å; Q667-L750 HydrophobicContact CG-CD1 4.49Å
668	T	55.3	Low	68.4	Low	91 Å²	91	66.3 Å²	66.3	56%	0.558	32%	0.316	S	S	*	.			trans	-66.9	121.5	172.7	47.9	0	0	0	0	110.4	Y780	T668-Y780 WeakPolarHBondContact CB-O 3.25Å; T668-Y780 WeakPolarHBondContact CG2-O 3.24Å
669	I	60.9	Low	68.8	Low	32 Å²	32	64 Å²	64	16%	0.164	31%	0.313	C	S	.	.			trans	-90.1	113.7	179.2	-58.3	166.9	0	0	0	107.9	Y626 L628 F656 I665 Q667 P671	Y626-I669 HydrophobicContact CD1-CG2 4.06Å; L628-I669 HydrophobicContact CD2-CD1 3.92Å; L628-I669 HydrophobicContact CD2-CG1 4.14Å; L628-I669 HydrophobicContact CD2-CG2 3.67Å; F656-I669 HydrophobicContact CE1-CD1 4.07Å; F656-I669 HydrophobicContact CZ-CD1 3.93Å; F656-I669 HydrophobicContact CZ-CG2 4.23Å; I665-I669 HydrophobicContact CB-CD1 4.29Å; I665-I669 HydrophobicContact CD1-CD1 3.53Å; I665-I669 HydrophobicContact CD1-CG1 4.13Å; I665-I669 HydrophobicContact CG1-CD1 4.5Å; I665-I669 HydrophobicContact CG2-CD1 4.2Å; I665-I669 HydrophobicContact CG2-CG1 3.89Å; Q667-I669 PolarHBondContact O-N 2.82Å; I669-P671 WeakPolarHBondContact O-CD 3.48Å
670	K	64.6	Low	69.5	Low	50 Å²	50	56.7 Å²	56.7	22%	0.217	28%	0.28	C	S	.	.			trans	-101.7	96.4	175.8	-61.9	-170.7	179.7	-171.6	0	110.5	I777 D778 E779	K670-I777 HydrophobicContact CB-CG2 3.71Å; K670-I777 HydrophobicContact CD-CG2 4.11Å; K670-I777 HydrophobicContact CG-CG2 4.48Å; K670-D778 WeakPolarHBondContact CA-O 3.3Å; K670-E779 HydrophobicContact CD-CG 4.22Å; K670-E779 IonicContact NZ-OE1 3.43Å; K670-E779 PolarHBondContact NZ-OE1 2.77Å
671	P	75.2	Confident	70.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-71.1	150.9	176	26.7	-30	0	0	0	111.8	I625 Y626 I669 D778 Y780	I625-P671 WeakPolarHBondContact O-CA 3.41Å; Y626-P671 HydrophobicContact CD1-CB 3.58Å; Y626-P671 HydrophobicContact CD1-CG 4.12Å; Y626-P671 HydrophobicContact CE1-CB 3.44Å; Y626-P671 VanDerWaalsContact CE1-CB 3.44Å; Y626-P671 HydrophobicContact CE1-CG 3.56Å; Y626-P671 HydrophobicContact CE2-CB 4.43Å; Y626-P671 HydrophobicContact CG-CB 4.13Å; I669-P671 WeakPolarHBondContact O-CD 3.48Å; P671-D778 WeakPolarHBondContact CD-O 3.34Å; P671-D778 HydrophobicContact CG-CB 4.05Å; P671-D778 PolarHBondContact O-N 2.8Å; P671-Y780 HydrophobicContact CG-CD2 4.22Å; P671-Y780 HydrophobicContact CG-CE2 4.33Å
672	I	77.9	Confident	71	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.067	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	118.4	168.7	-55.7	167.5	0	0	0	107	I625 L685 C775	I625-I672 HydrophobicContact CB-CB 4.25Å; I625-I672 PolarHBondContact N-O 2.79Å; I625-I672 PolarHBondContact O-N 2.98Å; I672-L685 HydrophobicContact CD1-CD1 3.82Å; I672-C775 HydrophobicContact CG2-CB 4.47Å
673	Y	81.5	Confident	72	Confident	38 Å²	38	59.3 Å²	59.3	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.8	170.9	175.3	-102.6	0	0	0	109.2	N622 Y623 W624 Q675 C775 M776	N622-Y673 HydrophobicContact CB-CE2 3.87Å; N622-Y673 PolarHBondContact OD1-OH 2.65Å; N622-Y673 VanDerWaalsContact OD1-OH 3.09Å; Y623-Y673 CarbonylContact O-C 3.54Å; Y623-Y673 WeakPolarHBondContact O-CA 3.34Å; W624-Y673 AromaticContact CD1-CD2 3.8Å; W624-Y673 HydrophobicContact CD2-CD2 4.16Å; W624-Y673 HydrophobicContact CD2-CE2 4.39Å; W624-Y673 AromaticContact CE2-CD2 3.64Å; W624-Y673 AromaticContact CE2-CE2 3.7Å; W624-Y673 HydrophobicContact CG-CD2 4.26Å; W624-Y673 HydrophobicContact CH2-CE2 4.29Å; W624-Y673 HydrophobicContact CZ2-CD2 4.1Å; W624-Y673 AromaticContact CZ2-CE2 3.66Å; W624-Y673 HydrophobicContact CZ2-CE2 3.66Å; W624-Y673 AromaticContact NE1-CD2 3.4Å; W624-Y673 AromaticContact NE1-CE2 3.87Å; Y673-Q675 HydrophobicContact CE1-CB 4.26Å; Y673-C775 CarbonylContact O-C 3.57Å; Y673-C775 WeakPolarHBondContact O-CA 3.47Å; Y673-M776 HydrophobicContact CD1-CE 4.35Å; Y673-M776 PolarHBondContact N-O 3.44Å; Y673-M776 PolarHBondContact O-N 3.18Å
674	C	80.7	Confident	73	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127	176.4	-72.1	0	0	0	0	110.8	Y623 L683 V774 C775	Y623-C674 PolarHBondContact N-O 3.16Å; Y623-C674 PolarHBondContact O-N 3.39Å; C674-L683 HydrophobicContact CB-CD2 3.82Å; C674-V774 CarbonylContact C-O 3.48Å; C674-V774 WeakPolarHBondContact CA-O 3.23Å; C674-C775 HydrophobicContact CB-CB 4.19Å; C674-C775 WeakPolarHBondContact CB-SG 3.49Å; C674-C775 WeakPolarHBondContact SG-CB 3.47Å; C674-C775 CovalentContact SG-SG 2.05Å; C674-C775 PolarHBondContact SG-SG 2.91Å
675	Q	81.1	Confident	74.1	Confident	69 Å²	69	48.6 Å²	48.6	32%	0.322	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.6	169.1	-175.5	176.3	5.9	0	0	109.2	N622 Y673 N708 P773 V774	N622-Q675 WeakPolarHBondContact OD1-CG 3.09Å; Y673-Q675 HydrophobicContact CE1-CB 4.26Å; Q675-N708 PolarHBondContact NE2-OD1 2.76Å; Q675-P773 WeakPolarHBondContact O-CA 3.23Å; Q675-V774 PolarHBondContact N-O 3.32Å; Q675-V774 PolarHBondContact O-N 3.38Å
676	T	82.3	Confident	75.2	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-87.2	152.1	177.8	49.4	0	0	0	0	111.2	V616 P620 Q621 Y623 M680	V616-T676 HydrophobicContact CB-CG2 4.18Å; V616-T676 HydrophobicContact CG1-CG2 4.02Å; V616-T676 HydrophobicContact CG2-CG2 4.17Å; P620-T676 WeakPolarHBondContact CA-O 3.32Å; P620-T676 VanDerWaalsContact CB-O 3.25Å; P620-T676 WeakPolarHBondContact CB-O 3.44Å; Q621-T676 PolarHBondContact N-OG1 3.3Å; Q621-T676 PolarHBondContact O-N 3.2Å; Q621-T676 PolarHBondContact O-OG1 2.89Å; Y623-T676 HydrophobicContact CD2-CG2 3.93Å; Y623-T676 HydrophobicContact CE2-CG2 3.5Å; T676-M680 HydrophobicContact CG2-SD 4.3Å
677	T	78.9	Confident	76.4	Confident	44 Å²	44	38.4 Å²	38.4	27%	0.27	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-103.1	163.9	178.5	57.8	0	0	0	0	111.3	G679 M680	T677-G679 PolarHBondContact O-N 2.91Å; T677-M680 PolarHBondContact N-SD 3.41Å; T677-M680 WeakPolarHBondContact O-CB 3.42Å; T677-M680 WeakPolarHBondContact O-CG 3.46Å; T677-M680 PolarHBondContact O-N 2.99Å; T677-M680 VanDerWaalsContact OG1-CG 3.32Å; T677-M680 WeakPolarHBondContact OG1-CG 3.22Å; T677-M680 PolarHBondContact OG1-SD 3.03Å
678	Y	79.3	Confident	77.4	Confident	165 Å²	165	36.6 Å²	36.6	65%	0.647	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	134.4	179.4	-83.3	-79.9	0	0	0	111.4	V618 N619 P620 M680	V618-Y678 WeakPolarHBondContact O-CA 3.4Å; N619-Y678 HydrophobicContact CB-CE1 4.35Å; P620-Y678 VanDerWaalsContact CD-CG 3.47Å; P620-Y678 HydrophobicContact CG-CD1 4.14Å; P620-Y678 HydrophobicContact CG-CD2 3.37Å; P620-Y678 HydrophobicContact CG-CE1 4.18Å; P620-Y678 HydrophobicContact CG-CE2 3.42Å; P620-Y678 VanDerWaalsContact CG-CE2 3.42Å; P620-Y678 HydrophobicContact CG-CG 3.75Å; Y678-M680 VanDerWaalsContact C-N 3.3Å; Y678-M680 PolarHBondContact O-N 2.92Å
679	G	78.5	Confident	78.5	Confident	26 Å²	26	32.3 Å²	32.3	27%	0.268	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-4	178.7	0	0	0	0	0	115.1	V618 T677 H681 Q771	V618-G679 PolarHBondContact O-N 3.43Å; T677-G679 PolarHBondContact O-N 2.91Å; G679-H681 PolarHBondContact O-CD2 3.07Å; G679-H681 PolarHBondContact O-NE2 3.33Å; G679-Q771 VanDerWaalsContact C-NE2 3.26Å; G679-Q771 PolarHBondContact O-NE2 3.24Å; G679-Q771 VanDerWaalsContact O-NE2 3.07Å
680	M	79.6	Confident	79.1	Confident	9 Å²	9	31.5 Å²	31.5	4%	0.044	16%	0.156	C	C	.	.			trans	-64.1	142.8	171	-72.4	-171.6	78.3	0	0	111.3	V616 T676 T677 Y678 Q771 P773	V616-M680 HydrophobicContact CG2-CB 3.97Å; T676-M680 HydrophobicContact CG2-SD 4.3Å; T677-M680 PolarHBondContact N-SD 3.41Å; T677-M680 WeakPolarHBondContact O-CB 3.42Å; T677-M680 WeakPolarHBondContact O-CG 3.46Å; T677-M680 PolarHBondContact O-N 2.99Å; T677-M680 VanDerWaalsContact OG1-CG 3.32Å; T677-M680 WeakPolarHBondContact OG1-CG 3.22Å; T677-M680 PolarHBondContact OG1-SD 3.03Å; Y678-M680 VanDerWaalsContact C-N 3.3Å; Y678-M680 PolarHBondContact O-N 2.92Å; M680-Q771 HydrophobicContact CG-CB 3.88Å; M680-Q771 HydrophobicContact CG-CG 4.43Å; M680-P773 HydrophobicContact CE-CB 3.8Å; M680-P773 HydrophobicContact CE-CG 3.8Å; M680-P773 HydrophobicContact SD-CB 4.02Å
681	H	82.9	Confident	79.3	Confident	125 Å²	125	31.9 Å²	31.9	58%	0.579	16%	0.159	S	C	*	.			trans	-121.5	-24.1	179.9	-66.3	-61	0	0	0	114	K615 V616 V618 G679	K615-H681 WeakPolarHBondContact CA-O 3.45Å; V616-H681 PolarHBondContact N-O 3.09Å; V618-H681 VanDerWaalsContact CG1-CE1 3.4Å; V618-H681 WeakPolarHBondContact CG1-CE1 3.35Å; G679-H681 PolarHBondContact O-CD2 3.07Å; G679-H681 PolarHBondContact O-NE2 3.33Å
682	S	83.9	Confident	78.8	Confident	51 Å²	51	38.1 Å²	38.1	36%	0.357	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.6	174.4	52.8	0	0	0	0	111.2	L614	L614-S682 CarbonylContact O-C 3.57Å; L614-S682 VanDerWaalsContact O-CA 3.22Å; L614-S682 WeakPolarHBondContact O-CA 3.34Å
683	L	83.2	Confident	78	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.9	172.2	178	71.6	0	0	0	107.2	L614 V616 I625 C674 L685 P773	L614-L683 HydrophobicContact CB-CB 4.44Å; L614-L683 PolarHBondContact N-O 2.93Å; L614-L683 PolarHBondContact O-N 3.47Å; V616-L683 HydrophobicContact CG1-CB 3.71Å; I625-L683 HydrophobicContact CD1-CD2 4.43Å; C674-L683 HydrophobicContact CB-CD2 3.82Å; L683-L685 HydrophobicContact CD2-CD2 3.71Å; L683-L685 HydrophobicContact CG-CD2 3.7Å; L683-P773 HydrophobicContact CD1-CB 3.76Å; L683-P773 HydrophobicContact CD1-CG 3.64Å
684	E	82.6	Confident	77	Confident	31 Å²	31	44.9 Å²	44.9	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.6	-179.1	-57.7	-167.5	150.4	0	0	109.4	I612 S613 I763 N765	I612-E684 WeakPolarHBondContact O-CA 3.49Å; S613-E684 PolarHBondContact OG-OE1 3.09Å; E684-I763 HydrophobicContact CB-CB 4.1Å; E684-I763 PolarHBondContact O-N 3.35Å; E684-N765 PolarHBondContact OE2-ND2 3.01Å
685	L	81.1	Confident	76.2	Confident	3 Å²	3	46 Å²	46	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.9	-177.3	59.8	123.4	0	0	0	111	Y611 I612 I625 I672 L683 I687	Y611-L685 WeakPolarHBondContact CA-O 3.44Å; Y611-L685 WeakPolarHBondContact CB-O 3.31Å; I612-L685 HydrophobicContact CD1-CD1 3.91Å; I612-L685 HydrophobicContact CD1-CD2 4.02Å; I612-L685 HydrophobicContact CD1-CG 3.98Å; I612-L685 HydrophobicContact CG1-CD1 3.92Å; I612-L685 HydrophobicContact CG1-CD2 3.97Å; I612-L685 HydrophobicContact CG1-CG 3.6Å; I612-L685 PolarHBondContact N-O 3.43Å; I612-L685 PolarHBondContact O-N 3.01Å; I612-L685 VanDerWaalsContact O-N 3.1Å; I625-L685 HydrophobicContact CD1-CD1 3.74Å; I625-L685 HydrophobicContact CD1-CD2 3.55Å; I625-L685 HydrophobicContact CD1-CG 4.29Å; I625-L685 HydrophobicContact CG2-CD1 4.47Å; I672-L685 HydrophobicContact CD1-CD1 3.82Å; L683-L685 HydrophobicContact CD2-CD2 3.71Å; L683-L685 HydrophobicContact CG-CD2 3.7Å; L685-I687 HydrophobicContact CD1-CG2 3.66Å
686	T	78.8	Confident	75.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.2	166.5	65.8	0	0	0	0	109.5	Q609 S759 S760 S761 I763	Q609-T686 PolarHBondContact NE2-OG1 3.22Å; T686-S759 PolarHBondContact OG1-O 3.07Å; T686-S760 WeakPolarHBondContact OG1-CA 3.48Å; T686-S761 PolarHBondContact N-O 3.04Å; T686-S761 PolarHBondContact OG1-N 3.13Å; T686-S761 PolarHBondContact OG1-O 2.79Å; T686-S761 PolarHBondContact OG1-OG 2.82Å; T686-I763 HydrophobicContact CG2-CD1 3.9Å; T686-I763 HydrophobicContact CG2-CG1 4.02Å
687	I	80.7	Confident	75.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	155.7	178.2	53.5	165.1	0	0	0	109.5	Q609 V610 I612 I625 T627 L685 A689 I701 L724	Q609-I687 WeakPolarHBondContact CG-O 3.34Å; Q609-I687 PolarHBondContact NE2-O 2.91Å; V610-I687 HydrophobicContact CB-CD1 4.25Å; V610-I687 HydrophobicContact CB-CG1 4.16Å; V610-I687 HydrophobicContact CG1-CD1 4Å; V610-I687 HydrophobicContact CG1-CG1 4.24Å; V610-I687 WeakPolarHBondContact O-CG1 3.43Å; V610-I687 PolarHBondContact O-N 2.84Å; I612-I687 HydrophobicContact CD1-CG2 4.12Å; I612-I687 HydrophobicContact CG1-CG2 4.09Å; I612-I687 HydrophobicContact CG2-CD1 3.98Å; I612-I687 HydrophobicContact CG2-CG1 4.42Å; I612-I687 HydrophobicContact CG2-CG2 4.32Å; I625-I687 HydrophobicContact CG2-CG2 4.49Å; T627-I687 HydrophobicContact CG2-CD1 4.49Å; L685-I687 HydrophobicContact CD1-CG2 3.66Å; I687-A689 HydrophobicContact CD1-CB 3.85Å; I687-A689 HydrophobicContact CG1-CB 4.02Å; I687-A689 PolarHBondContact O-N 3.11Å; I687-I701 HydrophobicContact CD1-CD1 3.45Å; I687-I701 VanDerWaalsContact CD1-CD1 3.45Å; I687-I701 HydrophobicContact CD1-CG1 4.25Å; I687-L724 HydrophobicContact CD1-CD1 4.29Å
688	P	76.5	Confident	75.5	Confident	18 Å²	18	44 Å²	44	12%	0.117	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	57.3	-179	33	-37.2	0	0	0	111.5	T627 Y690	T627-P688 HydrophobicContact CG2-CG 4.15Å; P688-Y690 HydrophobicContact CB-CE2 4.42Å
689	A	77.8	Confident	75.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	101.7	179.4	0	0	0	0	0	108.3	V610 T627 I687 Y699 T726	V610-A689 HydrophobicContact CB-CB 4.2Å; V610-A689 HydrophobicContact CG2-CB 4.42Å; V610-A689 PolarHBondContact N-O 3.43Å; T627-A689 HydrophobicContact CG2-CB 4.3Å; I687-A689 HydrophobicContact CD1-CB 3.85Å; I687-A689 HydrophobicContact CG1-CB 4.02Å; I687-A689 PolarHBondContact O-N 3.11Å; A689-Y699 HydrophobicContact CB-CD1 4.21Å; A689-Y699 HydrophobicContact CB-CD2 4.1Å; A689-Y699 HydrophobicContact CB-CE1 4.39Å; A689-Y699 HydrophobicContact CB-CE2 4.25Å; A689-Y699 HydrophobicContact CB-CG 4.04Å; A689-T726 HydrophobicContact CB-CG2 3.82Å
690	Y	73.8	Confident	76	Confident	16 Å²	16	35.1 Å²	35.1	6%	0.063	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	160	-174	-61.8	-89.8	0	0	0	111.9	H608 Q609 P688 Y695 T726 M758 S759	H608-Y690 WeakPolarHBondContact O-CA 3.4Å; Q609-Y690 HydrophobicContact CB-CD1 3.84Å; Q609-Y690 HydrophobicContact CB-CE1 3.62Å; Q609-Y690 VanDerWaalsContact CD-CE1 3.44Å; Q609-Y690 VanDerWaalsContact CD-CZ 3.46Å; Q609-Y690 VanDerWaalsContact CD-OH 3.23Å; Q609-Y690 HydrophobicContact CG-CD1 3.95Å; Q609-Y690 HydrophobicContact CG-CE1 3.49Å; Q609-Y690 VanDerWaalsContact CG-CE1 3.49Å; Q609-Y690 PolarHBondContact NE2-OH 3.11Å; Q609-Y690 PolarHBondContact OE1-OH 3.38Å; P688-Y690 HydrophobicContact CB-CE2 4.42Å; Y690-Y695 HydrophobicContact CD2-CD1 4.08Å; Y690-Y695 AromaticContact CD2-CE1 3.74Å; Y690-Y695 HydrophobicContact CD2-CE1 3.74Å; Y690-Y695 HydrophobicContact CG-CD1 4.49Å; Y690-Y695 HydrophobicContact CG-CE1 4.37Å; Y690-T726 PolarHBondContact O-OG1 3.23Å; Y690-M758 HydrophobicContact CE2-CB 4.48Å; Y690-M758 PolarHBondContact OH-O 3.08Å; Y690-S759 PolarHBondContact OH-OG 3.38Å
691	H	68.9	Low	76.5	Confident	57 Å²	57	34.7 Å²	34.7	26%	0.264	17%	0.169	S	C	.	.			trans	-101.9	95.5	163.2	-177.5	-42.4	0	0	0	110.2	H608 C727 I730	H608-H691 PolarHBondContact O-N 3.42Å; H691-C727 VanDerWaalsContact CD2-CA 3.46Å; H691-C727 WeakPolarHBondContact CD2-CA 3.37Å; H691-C727 PolarHBondContact NE2-SG 2.99Å; H691-I730 HydrophobicContact CB-CB 4.11Å; H691-I730 HydrophobicContact CB-CD1 3.38Å; H691-I730 HydrophobicContact CB-CG1 4.32Å; H691-I730 HydrophobicContact CB-CG2 4.03Å
692	R	65.1	Low	76.8	Confident	131 Å²	131	28.8 Å²	28.8	49%	0.494	14%	0.142	S	C	.	.			trans	-138.1	153	170.4	-68.1	-179.4	68.5	175.6	-0	109.7	D694 Y695	R692-D694 PolarHBondContact O-N 3.34Å; R692-D694 VanDerWaalsContact O-N 3.12Å; R692-Y695 HydrophobicContact CB-CD2 3.67Å; R692-Y695 HydrophobicContact CB-CE2 4.36Å; R692-Y695 HydrophobicContact CB-CG 4.17Å; R692-Y695 HydrophobicContact CG-CD2 4.41Å; R692-Y695 PolarHBondContact O-N 2.94Å
693	N	61	Low	77.2	Confident	104 Å²	104	26.4 Å²	26.4	56%	0.556	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-26.3	-178.1	-74.9	-17.1	0	0	0	113.8	Y746	N693-Y746 HydrophobicContact CB-CE1 3.94Å; N693-Y746 WeakPolarHBondContact O-CD1 3.34Å; N693-Y746 WeakPolarHBondContact O-CE1 3.44Å; N693-Y746 WeakPolarHBondContact OD1-CE1 3.17Å; N693-Y746 PolarHBondContact OD1-OH 3.31Å
694	D	59.6	Low	77.6	Confident	89 Å²	89	26.4 Å²	26.4	48%	0.476	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	0.6	-179.4	-47.2	-46.6	0	0	0	113.2	R692	R692-D694 PolarHBondContact O-N 3.34Å; R692-D694 VanDerWaalsContact O-N 3.12Å
695	Y	64.1	Low	78	Confident	25 Å²	25	24.9 Å²	24.9	10%	0.098	12%	0.118	C	C	.	.	S	Bend	trans	-107.1	148.5	-174.1	-81.3	-117.7	0	0	0	111	Y690 R692 F754	Y690-Y695 HydrophobicContact CD2-CD1 4.08Å; Y690-Y695 AromaticContact CD2-CE1 3.74Å; Y690-Y695 HydrophobicContact CD2-CE1 3.74Å; Y690-Y695 HydrophobicContact CG-CD1 4.49Å; Y690-Y695 HydrophobicContact CG-CE1 4.37Å; R692-Y695 HydrophobicContact CB-CD2 3.67Å; R692-Y695 HydrophobicContact CB-CE2 4.36Å; R692-Y695 HydrophobicContact CB-CG 4.17Å; R692-Y695 HydrophobicContact CG-CD2 4.41Å; R692-Y695 PolarHBondContact O-N 2.94Å; Y695-F754 HydrophobicContact CD1-CD2 4.34Å; Y695-F754 AromaticContact CD1-CE2 3.49Å; Y695-F754 HydrophobicContact CD1-CE2 3.49Å; Y695-F754 VanDerWaalsContact CD1-CE2 3.49Å; Y695-F754 HydrophobicContact CD1-CZ 4.28Å; Y695-F754 AromaticContact CE1-CD2 4Å; Y695-F754 HydrophobicContact CE1-CD2 4Å; Y695-F754 AromaticContact CE1-CE2 3.32Å; Y695-F754 HydrophobicContact CE1-CE2 3.32Å; Y695-F754 HydrophobicContact CE1-CZ 4.03Å; Y695-F754 HydrophobicContact CG-CE2 4.24Å; Y695-F754 AromaticContact CZ-CE2 3.97Å
696	P	69.9	Low	78.4	Confident	24 Å²	24	24.8 Å²	24.8	16%	0.156	12%	0.117	C	C	.	.			trans	-65.3	149	177.7	20.6	-25.4	0	0	0	111.2	P629 Y699	P629-P696 HydrophobicContact CB-CB 3.92Å; P629-P696 HydrophobicContact CB-CG 3.3Å; P629-P696 HydrophobicContact CG-CG 4.49Å; P696-Y699 WeakPolarHBondContact CD-OH 3.43Å; P696-Y699 HydrophobicContact CG-CE1 4.05Å; P696-Y699 HydrophobicContact CG-CE2 4.35Å; P696-Y699 WeakPolarHBondContact CG-OH 3.44Å; P696-Y699 WeakPolarHBondContact O-CE2 3.49Å; P696-Y699 PolarHBondContact O-OH 2.91Å
697	R	75.6	Confident	78.8	Confident	30 Å²	30	25 Å²	25	11%	0.113	12%	0.118	C	C	.	.	S	Bend	trans	-80.7	-37.3	-178.9	176.4	177	174.7	171.2	-4	113.5	D725 T726 C727 N728 C742 R743	R697-D725 WeakPolarHBondContact CG-OD1 3.18Å; R697-D725 IonicContact CZ-OD1 3.91Å; R697-D725 IonicContact CZ-OD2 3.69Å; R697-D725 IonicContact NE-OD1 3.44Å; R697-D725 PolarHBondContact NE-OD1 3.44Å; R697-D725 IonicContact NE-OD2 3.83Å; R697-D725 PolarHBondContact NE-OD2 3.39Å; R697-D725 IonicContact NH2-OD1 3.84Å; R697-D725 IonicContact NH2-OD2 2.68Å; R697-D725 PolarHBondContact NH2-OD2 2.95Å; R697-T726 PolarHBondContact O-N 2.89Å; R697-T726 PolarHBondContact O-OG1 2.89Å; R697-C727 HydrophobicContact CG-CB 4.17Å; R697-N728 PolarHBondContact NH2-ND2 2.95Å; R697-C742 PolarHBondContact NH1-O 2.86Å; R697-R743 PolarHBondContact NH1-O 2.82Å
698	F	82	Confident	78.8	Confident	19 Å²	19	27.1 Å²	27.1	8%	0.083	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132	-174.3	-62.4	-67.7	0	0	0	111.2	I507 V630 L723 L724 D725	I507-F698 HydrophobicContact CD1-CE1 4.18Å; I507-F698 HydrophobicContact CG2-CD1 4.33Å; I507-F698 HydrophobicContact CG2-CE1 4.33Å; V630-F698 HydrophobicContact CB-CB 4.13Å; V630-F698 PolarHBondContact N-O 3.32Å; F698-L723 HydrophobicContact CB-CD1 4.21Å; F698-L724 VanDerWaalsContact CA-O 3.28Å; F698-L724 WeakPolarHBondContact CA-O 3.44Å; F698-D725 HydrophobicContact CD1-CB 4.16Å; F698-D725 HydrophobicContact CE1-CB 3.92Å
699	Y	83.9	Confident	78.8	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.9	177	-67.7	-98.5	0	0	0	111.1	T627 L628 P629 A689 P696 L724 T726	T627-Y699 HydrophobicContact CG2-CD1 3.83Å; T627-Y699 HydrophobicContact CG2-CG 4.47Å; L628-Y699 CarbonylContact O-C 3.58Å; L628-Y699 VanDerWaalsContact O-CA 3.28Å; L628-Y699 WeakPolarHBondContact O-CA 3.4Å; P629-Y699 HydrophobicContact CB-CD1 4.45Å; P629-Y699 HydrophobicContact CB-CE1 4.25Å; A689-Y699 HydrophobicContact CB-CD1 4.21Å; A689-Y699 HydrophobicContact CB-CD2 4.1Å; A689-Y699 HydrophobicContact CB-CE1 4.39Å; A689-Y699 HydrophobicContact CB-CE2 4.25Å; A689-Y699 HydrophobicContact CB-CG 4.04Å; P696-Y699 WeakPolarHBondContact CD-OH 3.43Å; P696-Y699 HydrophobicContact CG-CE1 4.05Å; P696-Y699 HydrophobicContact CG-CE2 4.35Å; P696-Y699 WeakPolarHBondContact CG-OH 3.44Å; P696-Y699 WeakPolarHBondContact O-CE2 3.49Å; P696-Y699 PolarHBondContact O-OH 2.91Å; Y699-L724 PolarHBondContact N-O 3.01Å; Y699-L724 PolarHBondContact O-N 2.9Å; Y699-T726 HydrophobicContact CD2-CG2 3.33Å; Y699-T726 HydrophobicContact CE2-CG2 3.57Å; Y699-T726 HydrophobicContact CG-CG2 4.34Å
700	L	86	Confident	78.7	Confident	2 Å²	2	30 Å²	30	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.5	170.9	177	66.7	0	0	0	109.1	I504 L628 V630 L646 L702 R721 L723	I504-L700 HydrophobicContact CD1-CD1 3.55Å; L628-L700 HydrophobicContact CB-CB 4.35Å; L628-L700 HydrophobicContact CD1-CD2 4.24Å; L628-L700 PolarHBondContact N-O 3.45Å; L628-L700 PolarHBondContact O-N 3.46Å; V630-L700 HydrophobicContact CG2-CB 3.7Å; L646-L700 HydrophobicContact CD2-CD2 4.3Å; L700-L702 HydrophobicContact CD1-CD2 4.32Å; L700-L702 HydrophobicContact CD2-CD1 4.25Å; L700-L702 HydrophobicContact CD2-CD2 4.32Å; L700-L702 HydrophobicContact CD2-CG 4.28Å; L700-L702 HydrophobicContact CG-CD2 4.24Å; L700-L702 HydrophobicContact CG-CG 4.16Å; L700-R721 HydrophobicContact CD1-CG 4.22Å; L700-L723 HydrophobicContact CB-CD1 4.41Å
701	I	88.7	Confident	78.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.2	173.3	-60.6	177.2	0	0	0	108.9	F599 I612 Y626 I687 I703 R721 Q722 L724	F599-I701 HydrophobicContact CZ-CD1 4.03Å; F599-I701 HydrophobicContact CZ-CG2 4.26Å; I612-I701 HydrophobicContact CG2-CD1 4.17Å; Y626-I701 WeakPolarHBondContact O-CA 3.33Å; I687-I701 HydrophobicContact CD1-CD1 3.45Å; I687-I701 VanDerWaalsContact CD1-CD1 3.45Å; I687-I701 HydrophobicContact CD1-CG1 4.25Å; I701-I703 HydrophobicContact CG2-CD1 4.29Å; I701-I703 HydrophobicContact CG2-CG1 3.97Å; I701-R721 VanDerWaalsContact O-CA 3.3Å; I701-R721 WeakPolarHBondContact O-CA 3.33Å; I701-Q722 PolarHBondContact N-O 2.99Å; I701-Q722 PolarHBondContact O-N 3.36Å; I701-Q722 VanDerWaalsContact O-N 3.09Å; I701-L724 HydrophobicContact CD1-CD1 3.34Å; I701-L724 HydrophobicContact CD1-CD2 4.42Å; I701-L724 HydrophobicContact CD1-CG 3.82Å; I701-L724 HydrophobicContact CG1-CD1 4.23Å; I701-L724 HydrophobicContact CG1-CG 4.32Å
702	L	90.2	Very high	77.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.6	171.4	-56.4	169.4	0	0	0	109.3	Y626 L628 F656 L661 L700 Y704 L718 V720 R721	Y626-L702 PolarHBondContact N-O 2.61Å; Y626-L702 PolarHBondContact O-N 2.83Å; L628-L702 HydrophobicContact CD1-CD1 3.91Å; F656-L702 HydrophobicContact CD2-CD1 4.05Å; F656-L702 HydrophobicContact CE2-CD1 3.89Å; L661-L702 HydrophobicContact CD1-CD1 4.4Å; L700-L702 HydrophobicContact CD1-CD2 4.32Å; L700-L702 HydrophobicContact CD2-CD1 4.25Å; L700-L702 HydrophobicContact CD2-CD2 4.32Å; L700-L702 HydrophobicContact CD2-CG 4.28Å; L700-L702 HydrophobicContact CG-CD2 4.24Å; L700-L702 HydrophobicContact CG-CG 4.16Å; L702-Y704 HydrophobicContact CB-CE2 3.91Å; L702-L718 HydrophobicContact CB-CD1 4.13Å; L702-L718 HydrophobicContact CD2-CD1 4.1Å; L702-V720 CarbonylContact C-O 3.59Å; L702-V720 WeakPolarHBondContact CA-O 3.4Å; L702-R721 HydrophobicContact CD2-CB 3.84Å; L702-R721 HydrophobicContact CD2-CG 3.53Å
703	I	91.7	Very high	78	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.3	176.9	-52.6	-178.7	0	0	0	109.4	F599 I612 L614 Y623 W624 I625 I701 V705 F719 V720	F599-I703 HydrophobicContact CD2-CD1 4.1Å; F599-I703 HydrophobicContact CE2-CD1 3.81Å; I612-I703 HydrophobicContact CD1-CD1 3.95Å; L614-I703 HydrophobicContact CD1-CD1 4.19Å; L614-I703 HydrophobicContact CD2-CG2 4.43Å; Y623-I703 HydrophobicContact CD1-CG2 4.07Å; W624-I703 WeakPolarHBondContact O-CA 3.38Å; I625-I703 HydrophobicContact CG1-CD1 4.36Å; I625-I703 HydrophobicContact CG1-CG1 4.18Å; I625-I703 HydrophobicContact CG1-CG2 4.12Å; I625-I703 HydrophobicContact CG2-CG1 4.28Å; I701-I703 HydrophobicContact CG2-CD1 4.29Å; I701-I703 HydrophobicContact CG2-CG1 3.97Å; I703-V705 HydrophobicContact CG2-CG2 4.22Å; I703-F719 PolarHBondContact O-N 2.69Å; I703-V720 HydrophobicContact CB-CB 3.87Å; I703-V720 HydrophobicContact CB-CG2 4.27Å; I703-V720 HydrophobicContact CD1-CB 3.91Å; I703-V720 HydrophobicContact CD1-CG1 4.31Å; I703-V720 HydrophobicContact CD1-CG2 4.01Å; I703-V720 HydrophobicContact CG1-CB 3.89Å; I703-V720 HydrophobicContact CG1-CG1 4.48Å; I703-V720 HydrophobicContact CG1-CG2 4.42Å; I703-V720 PolarHBondContact N-O 3.45Å; I703-V720 PolarHBondContact O-N 3.46Å
704	Y	91.9	Very high	78.7	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.4	172.7	-65.6	-97.9	0	0	0	109.8	Y623 W624 Y626 N652 E655 F656 L702 Q717 L718	Y623-Y704 CarbonylContact C-O 3.58Å; Y623-Y704 WeakPolarHBondContact CA-O 3.28Å; W624-Y704 PolarHBondContact N-O 3.39Å; W624-Y704 PolarHBondContact O-N 3.08Å; Y626-Y704 AromaticContact CD2-CD2 3.84Å; Y626-Y704 HydrophobicContact CD2-CD2 3.84Å; Y626-Y704 HydrophobicContact CD2-CE2 4.12Å; Y626-Y704 AromaticContact CE2-CD2 3.64Å; Y626-Y704 HydrophobicContact CE2-CD2 3.64Å; Y626-Y704 HydrophobicContact CE2-CE2 4.13Å; N652-Y704 WeakPolarHBondContact O-CE1 3.26Å; N652-Y704 PolarHBondContact O-OH 2.83Å; E655-Y704 VanDerWaalsContact C-CE1 3.41Å; E655-Y704 PolarHBondContact O-OH 3.49Å; F656-Y704 HydrophobicContact CB-CD2 4.47Å; F656-Y704 HydrophobicContact CB-CE2 3.98Å; F656-Y704 HydrophobicContact CD2-CE2 4.01Å; L702-Y704 HydrophobicContact CB-CE2 3.91Å; Y704-Q717 CarbonylContact C-O 3.57Å; Y704-Q717 VanDerWaalsContact CA-O 3.32Å; Y704-Q717 WeakPolarHBondContact CA-O 3.24Å; Y704-L718 HydrophobicContact CD1-CB 4.17Å; Y704-L718 HydrophobicContact CD1-CD1 4.46Å; Y704-L718 HydrophobicContact CD2-CD1 4.24Å; Y704-L718 HydrophobicContact CE1-CB 3.87Å; Y704-L718 HydrophobicContact CE1-CD1 4.1Å; Y704-L718 HydrophobicContact CE2-CD1 3.85Å
705	V	91.4	Very high	79.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.3	-176.7	-171.3	0	0	0	0	110.1	P492 Q621 N622 Y623 I703 K716 Q717 F719	P492-V705 HydrophobicContact CB-CB 4.25Å; P492-V705 HydrophobicContact CB-CG1 4.03Å; P492-V705 WeakPolarHBondContact CB-O 3.38Å; P492-V705 WeakPolarHBondContact CG-O 3.37Å; Q621-V705 HydrophobicContact CB-CG1 3.96Å; Q621-V705 HydrophobicContact CG-CG1 4.45Å; N622-V705 CarbonylContact O-C 3.52Å; N622-V705 VanDerWaalsContact O-CA 3.26Å; N622-V705 WeakPolarHBondContact O-CA 3.42Å; Y623-V705 HydrophobicContact CD1-CB 4.32Å; Y623-V705 HydrophobicContact CD1-CG1 4.09Å; Y623-V705 HydrophobicContact CD1-CG2 3.42Å; Y623-V705 VanDerWaalsContact CD1-CG2 3.42Å; Y623-V705 HydrophobicContact CE1-CB 4.27Å; Y623-V705 HydrophobicContact CE1-CG1 3.73Å; Y623-V705 HydrophobicContact CE1-CG2 3.49Å; Y623-V705 VanDerWaalsContact CE1-CG2 3.49Å; Y623-V705 HydrophobicContact CG-CG2 4.39Å; I703-V705 HydrophobicContact CG2-CG2 4.22Å; V705-K716 CarbonylContact O-C 3.59Å; V705-K716 WeakPolarHBondContact O-CA 3.32Å; V705-Q717 PolarHBondContact N-O 3.03Å; V705-Q717 PolarHBondContact O-N 2.75Å; V705-F719 HydrophobicContact CB-CD1 4.2Å; V705-F719 HydrophobicContact CB-CD2 3.92Å; V705-F719 HydrophobicContact CB-CE1 4.25Å; V705-F719 HydrophobicContact CB-CE2 3.93Å; V705-F719 HydrophobicContact CB-CG 4.05Å; V705-F719 HydrophobicContact CB-CZ 4.12Å; V705-F719 HydrophobicContact CG1-CD2 4.36Å; V705-F719 HydrophobicContact CG1-CE2 4.02Å; V705-F719 HydrophobicContact CG1-CZ 4.34Å; V705-F719 HydrophobicContact CG2-CB 3.84Å; V705-F719 HydrophobicContact CG2-CD1 4.17Å; V705-F719 HydrophobicContact CG2-CD2 3.45Å; V705-F719 VanDerWaalsContact CG2-CD2 3.45Å; V705-F719 HydrophobicContact CG2-CE2 3.96Å; V705-F719 HydrophobicContact CG2-CG 3.56Å
706	S	89.7	Confident	80.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.7	166.6	77.5	0	0	0	0	110.4	Q621 N622 W624	Q621-S706 WeakPolarHBondContact CA-O 3.26Å; Q621-S706 WeakPolarHBondContact CB-O 3.48Å; Q621-S706 PolarHBondContact OE1-O 3.47Å; N622-S706 PolarHBondContact N-O 3.42Å; N622-S706 PolarHBondContact O-N 3.28Å; W624-S706 VanDerWaalsContact CH2-OG 3.29Å; W624-S706 WeakPolarHBondContact CH2-OG 3.44Å; W624-S706 WeakPolarHBondContact CZ3-OG 3.48Å
707	N	87.1	Confident	81.9	Confident	7 Å²	7	25.7 Å²	25.7	4%	0.037	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	151.4	166.3	-162.4	-67.6	0	0	0	109.8	N489 Q621 D709 D710	N489-N707 VanDerWaalsContact O-CB 3.28Å; N489-N707 WeakPolarHBondContact O-CB 3.27Å; N489-N707 PolarHBondContact O-ND2 2.74Å; Q621-N707 PolarHBondContact NE2-ND2 2.79Å; Q621-N707 VanDerWaalsContact NE2-ND2 3.13Å; N707-D709 PolarHBondContact O-N 3.49Å; N707-D709 PolarHBondContact OD1-N 3.49Å; N707-D710 WeakPolarHBondContact O-CB 3.41Å; N707-D710 PolarHBondContact O-N 3.01Å
708	N	80.7	Confident	82.7	Confident	43 Å²	43	24.3 Å²	24.3	23%	0.23	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34	172.1	-174.9	67.8	0	0	0	112.9	P620 Q675 D710	P620-N708 HydrophobicContact CB-CB 3.65Å; P620-N708 VanDerWaalsContact O-CB 3.27Å; P620-N708 WeakPolarHBondContact O-CB 3.4Å; P620-N708 PolarHBondContact O-N 2.89Å; Q675-N708 PolarHBondContact NE2-OD1 2.76Å; N708-D710 PolarHBondContact O-N 2.74Å
709	D	76.5	Confident	83.1	Confident	74 Å²	74	23.6 Å²	23.6	40%	0.396	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.7	176.4	-62.7	-22.5	0	0	0	112.3	N489 L490 N707 I711	N489-D709 PolarHBondContact ND2-OD2 2.84Å; L490-D709 HydrophobicContact CD2-CB 3.92Å; N707-D709 PolarHBondContact O-N 3.49Å; N707-D709 PolarHBondContact OD1-N 3.49Å; D709-I711 VanDerWaalsContact C-N 3.27Å; D709-I711 PolarHBondContact O-N 2.84Å; D709-I711 VanDerWaalsContact O-N 3.12Å
710	D	74.7	Confident	83.3	Confident	6 Å²	6	23.5 Å²	23.5	3%	0.032	12%	0.118	C	C	.	.			trans	-86.1	70.2	170.8	-179.7	26.4	0	0	0	110.2	N707 N708 N712 G713 K714 Y715	N707-D710 WeakPolarHBondContact O-CB 3.41Å; N707-D710 PolarHBondContact O-N 3.01Å; N708-D710 PolarHBondContact O-N 2.74Å; D710-N712 PolarHBondContact O-N 3.37Å; D710-G713 PolarHBondContact O-N 2.82Å; D710-G713 PolarHBondContact OD1-N 3.44Å; D710-G713 WeakPolarHBondContact OD2-CA 3.2Å; D710-K714 VanDerWaalsContact CG-N 3.31Å; D710-K714 PolarHBondContact OD1-N 3.04Å; D710-K714 PolarHBondContact OD2-N 2.84Å; D710-Y715 HydrophobicContact CB-CD2 4.23Å; D710-Y715 WeakPolarHBondContact OD2-CA 3.42Å; D710-Y715 PolarHBondContact OD2-N 3.28Å
711	I	61.2	Low	83.4	Confident	129 Å²	129	23.4 Å²	23.4	66%	0.662	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.7	-176.4	-56.9	170.5	0	0	0	111.9	D709	D709-I711 VanDerWaalsContact C-N 3.27Å; D709-I711 PolarHBondContact O-N 2.84Å; D709-I711 VanDerWaalsContact O-N 3.12Å
712	N	60.7	Low	83.3	Confident	82 Å²	82	24.2 Å²	24.2	44%	0.439	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.8	-176.8	-60.5	-43.8	0	0	0	113.4	D710 K714	D710-N712 PolarHBondContact O-N 3.37Å; N712-K714 HydrophobicContact CB-CD 4.43Å; N712-K714 HydrophobicContact CB-CG 3.98Å; N712-K714 PolarHBondContact O-N 3.04Å
713	G	71.2	Confident	83.2	Confident	4 Å²	4	24.1 Å²	24.1	4%	0.041	12%	0.121	C	C	.	.			trans	59.4	28.1	-175	0	0	0	0	0	113.7	D710 Y715 K716	D710-G713 PolarHBondContact O-N 2.82Å; D710-G713 PolarHBondContact OD1-N 3.44Å; D710-G713 WeakPolarHBondContact OD2-CA 3.2Å; G713-Y715 VanDerWaalsContact C-N 3.28Å; G713-Y715 PolarHBondContact O-N 3.36Å; G713-K716 WeakPolarHBondContact O-CB 3.41Å; G713-K716 WeakPolarHBondContact O-CD 3.49Å; G713-K716 VanDerWaalsContact O-CG 3.23Å; G713-K716 WeakPolarHBondContact O-CG 3.29Å; G713-K716 PolarHBondContact O-N 2.73Å
714	K	75.3	Confident	82.9	Confident	60 Å²	60	24.1 Å²	24.1	26%	0.261	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-32.1	-178.5	-77.5	-178.7	-178.9	176.9	0	112.1	Y379 R479 D710 N712	Y379-K714 HydrophobicContact CD2-CB 4.44Å; Y379-K714 HydrophobicContact CE2-CB 4.48Å; Y379-K714 WeakPolarHBondContact CE2-O 3.45Å; R479-K714 PolarHBondContact NH1-O 3.11Å; D710-K714 VanDerWaalsContact CG-N 3.31Å; D710-K714 PolarHBondContact OD1-N 3.04Å; D710-K714 PolarHBondContact OD2-N 2.84Å; N712-K714 HydrophobicContact CB-CD 4.43Å; N712-K714 HydrophobicContact CB-CG 3.98Å; N712-K714 PolarHBondContact O-N 3.04Å
715	Y	83.8	Confident	82.6	Confident	14 Å²	14	24.3 Å²	24.3	6%	0.055	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	14.4	-178	-52.6	-72.8	0	0	0	112.6	Y379 R479 F481 L483 L490 L491 P492 D710 G713 Q717	Y379-Y715 HydrophobicContact CD2-CD1 4.3Å; Y379-Y715 AromaticContact CD2-CE1 3.94Å; Y379-Y715 HydrophobicContact CD2-CE1 3.94Å; R479-Y715 VanDerWaalsContact NH2-C 3.31Å; R479-Y715 PolarHBondContact NH2-O 2.85Å; F481-Y715 HydrophobicContact CB-CE1 4Å; F481-Y715 HydrophobicContact CD1-CD1 4.28Å; F481-Y715 HydrophobicContact CD1-CE1 4.26Å; F481-Y715 HydrophobicContact CD2-CD1 4.11Å; F481-Y715 AromaticContact CD2-CE1 3.79Å; F481-Y715 HydrophobicContact CD2-CE1 3.79Å; F481-Y715 HydrophobicContact CE1-CD1 4.35Å; F481-Y715 HydrophobicContact CE2-CD1 4.17Å; F481-Y715 HydrophobicContact CE2-CE1 4.31Å; F481-Y715 HydrophobicContact CG-CD1 4.16Å; F481-Y715 AromaticContact CG-CE1 3.76Å; F481-Y715 HydrophobicContact CG-CE1 3.76Å; F481-Y715 HydrophobicContact CZ-CD1 4.29Å; L483-Y715 HydrophobicContact CD2-CE1 4.15Å; L490-Y715 HydrophobicContact CB-CD2 4Å; L490-Y715 HydrophobicContact CB-CE2 4.12Å; L490-Y715 HydrophobicContact CD1-CE2 4.06Å; L491-Y715 HydrophobicContact CD2-CD1 4.3Å; L491-Y715 HydrophobicContact CD2-CG 4.34Å; P492-Y715 VanDerWaalsContact CD-O 3.32Å; P492-Y715 WeakPolarHBondContact CD-O 3.38Å; D710-Y715 HydrophobicContact CB-CD2 4.23Å; D710-Y715 WeakPolarHBondContact OD2-CA 3.42Å; D710-Y715 PolarHBondContact OD2-N 3.28Å; G713-Y715 VanDerWaalsContact C-N 3.28Å; G713-Y715 PolarHBondContact O-N 3.36Å; Y715-Q717 WeakPolarHBondContact O-CG 3.4Å
716	K	87.4	Confident	82.3	Confident	42 Å²	42	24.4 Å²	24.4	18%	0.183	12%	0.123	C	C	.	.			trans	-57.8	148	178.1	73.9	-170.5	169	-175.5	0	112.4	R479 W624 C654 V705 G713	R479-K716 PolarHBondContact NH1-O 3.07Å; R479-K716 PolarHBondContact NH2-O 2.69Å; W624-K716 HydrophobicContact CZ3-CB 4.26Å; C654-K716 VanDerWaalsContact O-CG 3.25Å; C654-K716 WeakPolarHBondContact O-CG 3.43Å; V705-K716 CarbonylContact O-C 3.59Å; V705-K716 WeakPolarHBondContact O-CA 3.32Å; G713-K716 WeakPolarHBondContact O-CB 3.41Å; G713-K716 WeakPolarHBondContact O-CD 3.49Å; G713-K716 VanDerWaalsContact O-CG 3.23Å; G713-K716 WeakPolarHBondContact O-CG 3.29Å; G713-K716 PolarHBondContact O-N 2.73Å
717	Q	91.1	Very high	81.8	Confident	23 Å²	23	24.8 Å²	24.8	11%	0.107	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.9	-177.7	-59.1	178.8	25.6	0	0	110.6	V449 P492 Y704 V705 Y715 F719	V449-Q717 VanDerWaalsContact CG2-NE2 3.26Å; P492-Q717 HydrophobicContact CG-CB 3.98Å; P492-Q717 HydrophobicContact CG-CG 3.65Å; Y704-Q717 CarbonylContact C-O 3.57Å; Y704-Q717 VanDerWaalsContact CA-O 3.32Å; Y704-Q717 WeakPolarHBondContact CA-O 3.24Å; V705-Q717 PolarHBondContact N-O 3.03Å; V705-Q717 PolarHBondContact O-N 2.75Å; Y715-Q717 WeakPolarHBondContact O-CG 3.4Å; Q717-F719 HydrophobicContact CB-CD1 4.21Å; Q717-F719 HydrophobicContact CB-CE1 4.03Å; Q717-F719 PolarHBondContact O-N 3.38Å
718	L	91.1	Very high	81.7	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	114.8	171.7	-175.8	65.2	0	0	0	109.8	T651 Y653 L702 Y704 V720 R721	T651-L718 HydrophobicContact CG2-CD2 3.95Å; Y653-L718 HydrophobicContact CD1-CB 4.3Å; Y653-L718 HydrophobicContact CD1-CD2 3.77Å; Y653-L718 HydrophobicContact CE1-CD2 4.16Å; Y653-L718 PolarHBondContact O-N 2.93Å; L702-L718 HydrophobicContact CB-CD1 4.13Å; L702-L718 HydrophobicContact CD2-CD1 4.1Å; Y704-L718 HydrophobicContact CD1-CB 4.17Å; Y704-L718 HydrophobicContact CD1-CD1 4.46Å; Y704-L718 HydrophobicContact CD2-CD1 4.24Å; Y704-L718 HydrophobicContact CE1-CB 3.87Å; Y704-L718 HydrophobicContact CE1-CD1 4.1Å; Y704-L718 HydrophobicContact CE2-CD1 3.85Å; L718-V720 VanDerWaalsContact CD1-O 3.24Å; L718-V720 WeakPolarHBondContact CD1-O 3.34Å; L718-R721 HydrophobicContact CD1-CB 4.47Å; L718-R721 HydrophobicContact CD2-CB 4.06Å; L718-R721 HydrophobicContact CG-CB 4.45Å
719	F	90	Very high	81.8	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-40.8	176.3	-84.8	22.8	0	0	0	111.8	P492 K494 F500 T502 I703 V705 Q717	P492-F719 HydrophobicContact CB-CE1 4.14Å; P492-F719 HydrophobicContact CB-CZ 3.81Å; P492-F719 HydrophobicContact CG-CE1 4.1Å; P492-F719 HydrophobicContact CG-CZ 4.24Å; K494-F719 HydrophobicContact CB-CE2 4.4Å; K494-F719 HydrophobicContact CD-CE2 4.38Å; K494-F719 HydrophobicContact CD-CZ 4.26Å; K494-F719 HydrophobicContact CG-CD2 4.08Å; K494-F719 HydrophobicContact CG-CE1 4.1Å; K494-F719 HydrophobicContact CG-CE2 3.4Å; K494-F719 VanDerWaalsContact CG-CE2 3.4Å; K494-F719 HydrophobicContact CG-CZ 3.4Å; K494-F719 VanDerWaalsContact CG-CZ 3.4Å; F500-F719 WeakPolarHBondContact CB-O 3.35Å; T502-F719 VanDerWaalsContact CG2-O 3.25Å; T502-F719 WeakPolarHBondContact CG2-O 3.37Å; I703-F719 PolarHBondContact O-N 2.69Å; V705-F719 HydrophobicContact CB-CD1 4.2Å; V705-F719 HydrophobicContact CB-CD2 3.92Å; V705-F719 HydrophobicContact CB-CE1 4.25Å; V705-F719 HydrophobicContact CB-CE2 3.93Å; V705-F719 HydrophobicContact CB-CG 4.05Å; V705-F719 HydrophobicContact CB-CZ 4.12Å; V705-F719 HydrophobicContact CG1-CD2 4.36Å; V705-F719 HydrophobicContact CG1-CE2 4.02Å; V705-F719 HydrophobicContact CG1-CZ 4.34Å; V705-F719 HydrophobicContact CG2-CB 3.84Å; V705-F719 HydrophobicContact CG2-CD1 4.17Å; V705-F719 HydrophobicContact CG2-CD2 3.45Å; V705-F719 VanDerWaalsContact CG2-CD2 3.45Å; V705-F719 HydrophobicContact CG2-CE2 3.96Å; V705-F719 HydrophobicContact CG2-CG 3.56Å; Q717-F719 HydrophobicContact CB-CD1 4.21Å; Q717-F719 HydrophobicContact CB-CE1 4.03Å; Q717-F719 PolarHBondContact O-N 3.38Å
720	V	88.5	Confident	82.1	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.2	-178.2	-178.2	0	0	0	0	109.9	F500 P501 F599 L614 L702 I703 L718 Q722	F500-V720 HydrophobicContact CB-CG2 4.2Å; F500-V720 HydrophobicContact CD1-CG2 3.71Å; F500-V720 HydrophobicContact CG-CG2 4.35Å; P501-V720 HydrophobicContact CG-CG1 4.44Å; P501-V720 CarbonylContact O-C 3.53Å; P501-V720 WeakPolarHBondContact O-CA 3.46Å; F599-V720 HydrophobicContact CB-CG1 4.31Å; F599-V720 HydrophobicContact CB-CG2 3.97Å; F599-V720 HydrophobicContact CD1-CG1 3.64Å; F599-V720 HydrophobicContact CD2-CG1 3.9Å; F599-V720 HydrophobicContact CD2-CG2 4.06Å; F599-V720 HydrophobicContact CE1-CG1 3.81Å; F599-V720 HydrophobicContact CE2-CG1 4.05Å; F599-V720 HydrophobicContact CG-CG1 3.68Å; F599-V720 HydrophobicContact CG-CG2 4.04Å; F599-V720 HydrophobicContact CZ-CG1 4.01Å; L614-V720 HydrophobicContact CD1-CG2 4Å; L702-V720 CarbonylContact C-O 3.59Å; L702-V720 WeakPolarHBondContact CA-O 3.4Å; I703-V720 HydrophobicContact CB-CB 3.87Å; I703-V720 HydrophobicContact CB-CG2 4.27Å; I703-V720 HydrophobicContact CD1-CB 3.91Å; I703-V720 HydrophobicContact CD1-CG1 4.31Å; I703-V720 HydrophobicContact CD1-CG2 4.01Å; I703-V720 HydrophobicContact CG1-CB 3.89Å; I703-V720 HydrophobicContact CG1-CG1 4.48Å; I703-V720 HydrophobicContact CG1-CG2 4.42Å; I703-V720 PolarHBondContact N-O 3.45Å; I703-V720 PolarHBondContact O-N 3.46Å; L718-V720 VanDerWaalsContact CD1-O 3.24Å; L718-V720 WeakPolarHBondContact CD1-O 3.34Å; V720-Q722 HydrophobicContact CG1-CB 4.47Å
721	R	88.1	Confident	82.4	Confident	1 Å²	1	20.5 Å²	20.5	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	110.3	167.9	174.4	165.1	172.9	-94.3	-8.5	108.9	P501 T502 I504 L646 N647 T651 L700 I701 L702 L718	P501-R721 PolarHBondContact O-N 3.2Å; T502-R721 PolarHBondContact O-NH1 3.39Å; I504-R721 HydrophobicContact CD1-CG 3.94Å; I504-R721 HydrophobicContact CG1-CG 3.85Å; L646-R721 PolarHBondContact O-NH2 2.79Å; N647-R721 VanDerWaalsContact CA-NH2 3.31Å; N647-R721 PolarHBondContact OD1-NH1 3.32Å; N647-R721 PolarHBondContact OD1-NH2 3.46Å; T651-R721 PolarHBondContact OG1-NE 3.01Å; T651-R721 PolarHBondContact OG1-NH1 2.81Å; T651-R721 PolarHBondContact OG1-NH2 3.4Å; T651-R721 VanDerWaalsContact OG1-NH2 3.14Å; L700-R721 HydrophobicContact CD1-CG 4.22Å; I701-R721 VanDerWaalsContact O-CA 3.3Å; I701-R721 WeakPolarHBondContact O-CA 3.33Å; L702-R721 HydrophobicContact CD2-CB 3.84Å; L702-R721 HydrophobicContact CD2-CG 3.53Å; L718-R721 HydrophobicContact CD1-CB 4.47Å; L718-R721 HydrophobicContact CD2-CB 4.06Å; L718-R721 HydrophobicContact CG-CB 4.45Å
722	Q	87.6	Confident	83.3	Confident	16 Å²	16	17.3 Å²	17.3	8%	0.075	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.1	-174.2	-164.4	67.8	32.9	0	0	110.8	P501 T508 F599 I701 V720 L724	P501-Q722 VanDerWaalsContact CB-OE1 3.24Å; T508-Q722 WeakPolarHBondContact OG1-CG 3.03Å; T508-Q722 PolarHBondContact OG1-NE2 3.3Å; F599-Q722 HydrophobicContact CE1-CB 4.04Å; F599-Q722 HydrophobicContact CE1-CG 4.32Å; I701-Q722 PolarHBondContact N-O 2.99Å; I701-Q722 PolarHBondContact O-N 3.36Å; I701-Q722 VanDerWaalsContact O-N 3.09Å; V720-Q722 HydrophobicContact CG1-CB 4.47Å; Q722-L724 HydrophobicContact CG-CD2 3.89Å
723	L	87	Confident	84.2	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.3	171.6	-174.8	61	0	0	0	109.6	I504 I507 T508 V630 L642 L643 L646 F698 L700	I504-L723 HydrophobicContact CD1-CB 4.34Å; I504-L723 HydrophobicContact CG2-CB 3.81Å; I507-L723 HydrophobicContact CD1-CD2 3.84Å; I507-L723 HydrophobicContact CG1-CD2 3.85Å; I507-L723 HydrophobicContact CG1-CG 4.32Å; I507-L723 HydrophobicContact CG2-CG 4.16Å; T508-L723 PolarHBondContact N-O 3.31Å; V630-L723 HydrophobicContact CG2-CD1 3.99Å; L642-L723 HydrophobicContact CD2-CD2 4.09Å; L643-L723 HydrophobicContact CD2-CD2 4.33Å; L646-L723 HydrophobicContact CD1-CD1 4.3Å; L646-L723 HydrophobicContact CD1-CD2 3.81Å; F698-L723 HydrophobicContact CB-CD1 4.21Å; L700-L723 HydrophobicContact CB-CD1 4.41Å
724	L	86.7	Confident	84.6	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.5	-178.8	-57	-162.3	0	0	0	111.3	T508 I601 V610 I687 F698 Y699 I701 Q722 I729	T508-L724 HydrophobicContact CG2-CD2 4.49Å; I601-L724 HydrophobicContact CD1-CD2 3.38Å; I601-L724 HydrophobicContact CG1-CD2 4.28Å; V610-L724 HydrophobicContact CG1-CD1 4.12Å; I687-L724 HydrophobicContact CD1-CD1 4.29Å; F698-L724 VanDerWaalsContact CA-O 3.28Å; F698-L724 WeakPolarHBondContact CA-O 3.44Å; Y699-L724 PolarHBondContact N-O 3.01Å; Y699-L724 PolarHBondContact O-N 2.9Å; I701-L724 HydrophobicContact CD1-CD1 3.34Å; I701-L724 HydrophobicContact CD1-CD2 4.42Å; I701-L724 HydrophobicContact CD1-CG 3.82Å; I701-L724 HydrophobicContact CG1-CD1 4.23Å; I701-L724 HydrophobicContact CG1-CG 4.32Å; Q722-L724 HydrophobicContact CG-CD2 3.89Å; L724-I729 HydrophobicContact CB-CD1 3.82Å; L724-I729 HydrophobicContact CD1-CD1 4.2Å; L724-I729 HydrophobicContact CD2-CD1 4.13Å; L724-I729 HydrophobicContact CG-CD1 4.29Å
725	D	85.4	Confident	84.8	Confident	5 Å²	5	17.4 Å²	17.4	3%	0.027	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	94.6	162.6	-174.8	-16.1	0	0	0	108.2	I507 T508 V509 R697 F698 C727 N728 I729	I507-D725 HydrophobicContact CG2-CB 3.9Å; T508-D725 PolarHBondContact O-N 3.04Å; V509-D725 HydrophobicContact CG1-CB 3.96Å; R697-D725 WeakPolarHBondContact CG-OD1 3.18Å; R697-D725 IonicContact CZ-OD1 3.91Å; R697-D725 IonicContact CZ-OD2 3.69Å; R697-D725 IonicContact NE-OD1 3.44Å; R697-D725 PolarHBondContact NE-OD1 3.44Å; R697-D725 IonicContact NE-OD2 3.83Å; R697-D725 PolarHBondContact NE-OD2 3.39Å; R697-D725 IonicContact NH2-OD1 3.84Å; R697-D725 IonicContact NH2-OD2 2.68Å; R697-D725 PolarHBondContact NH2-OD2 2.95Å; F698-D725 HydrophobicContact CD1-CB 4.16Å; F698-D725 HydrophobicContact CE1-CB 3.92Å; D725-C727 PolarHBondContact O-N 3.22Å; D725-C727 PolarHBondContact OD1-N 2.97Å; D725-N728 HydrophobicContact CB-CB 4.31Å; D725-N728 PolarHBondContact O-N 2.88Å; D725-N728 PolarHBondContact OD1-N 2.97Å; D725-N728 PolarHBondContact OD2-ND2 2.95Å; D725-I729 WeakPolarHBondContact O-CB 3.44Å; D725-I729 WeakPolarHBondContact O-CD1 3.15Å; D725-I729 WeakPolarHBondContact O-CG1 3.36Å; D725-I729 PolarHBondContact O-N 3.27Å
726	T	83.7	Confident	84.2	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-32.7	-174.1	50.3	0	0	0	0	111.8	V610 A689 Y690 R697 Y699 I729 I730	V610-T726 HydrophobicContact CG2-CG2 4.07Å; A689-T726 HydrophobicContact CB-CG2 3.82Å; Y690-T726 PolarHBondContact O-OG1 3.23Å; R697-T726 PolarHBondContact O-N 2.89Å; R697-T726 PolarHBondContact O-OG1 2.89Å; Y699-T726 HydrophobicContact CD2-CG2 3.33Å; Y699-T726 HydrophobicContact CE2-CG2 3.57Å; Y699-T726 HydrophobicContact CG-CG2 4.34Å; T726-I729 PolarHBondContact O-N 3.26Å; T726-I730 VanDerWaalsContact O-CB 3.31Å; T726-I730 WeakPolarHBondContact O-CB 3.46Å; T726-I730 WeakPolarHBondContact O-CG1 3.46Å; T726-I730 PolarHBondContact O-N 2.94Å
727	C	81.1	Confident	83.5	Confident	7 Å²	7	29.1 Å²	29.1	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-55.2	179.4	-173.3	0	0	0	0	110.9	H691 R697 D725 I730 S731 C742	H691-C727 VanDerWaalsContact CD2-CA 3.46Å; H691-C727 WeakPolarHBondContact CD2-CA 3.37Å; H691-C727 PolarHBondContact NE2-SG 2.99Å; R697-C727 HydrophobicContact CG-CB 4.17Å; D725-C727 PolarHBondContact O-N 3.22Å; D725-C727 PolarHBondContact OD1-N 2.97Å; C727-I730 PolarHBondContact O-N 2.83Å; C727-S731 VanDerWaalsContact O-CB 3.3Å; C727-S731 WeakPolarHBondContact O-CB 3.33Å; C727-S731 PolarHBondContact O-N 2.88Å; C727-C742 HydrophobicContact CB-CB 3.89Å; C727-C742 WeakPolarHBondContact CB-SG 3.03Å; C727-C742 VanDerWaalsContact SG-CA 3.55Å; C727-C742 WeakPolarHBondContact SG-CB 3.49Å; C727-C742 CovalentContact SG-SG 2.03Å; C727-C742 PolarHBondContact SG-SG 3.4Å
728	N	83.2	Confident	82.4	Confident	37 Å²	37	31.9 Å²	31.9	20%	0.198	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-39.6	179.8	-80.7	-35.1	0	0	0	112.1	V509 R697 D725 I730 S731 N732 C742	V509-N728 HydrophobicContact CB-CB 3.84Å; V509-N728 HydrophobicContact CG1-CB 4.18Å; V509-N728 CarbonylContact O-C 3.57Å; V509-N728 WeakPolarHBondContact O-CB 3.49Å; R697-N728 PolarHBondContact NH2-ND2 2.95Å; D725-N728 HydrophobicContact CB-CB 4.31Å; D725-N728 PolarHBondContact O-N 2.88Å; D725-N728 PolarHBondContact OD1-N 2.97Å; D725-N728 PolarHBondContact OD2-ND2 2.95Å; N728-I730 PolarHBondContact O-N 2.88Å; N728-S731 PolarHBondContact O-N 3.38Å; N728-N732 WeakPolarHBondContact O-CB 3.33Å; N728-N732 PolarHBondContact O-N 2.86Å; N728-N732 PolarHBondContact O-ND2 3.16Å; N728-C742 PolarHBondContact OD1-SG 3.11Å
729	I	84.6	Confident	80.8	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-49.4	178.6	-72.8	165.4	0	0	0	110.4	T508 V509 I601 V603 V610 L724 D725 T726 G733	T508-I729 HydrophobicContact CG2-CD1 4.39Å; T508-I729 WeakPolarHBondContact O-CD1 3.05Å; V509-I729 WeakPolarHBondContact O-CA 3.44Å; V509-I729 PolarHBondContact O-N 3.45Å; I601-I729 HydrophobicContact CG2-CD1 4.39Å; I601-I729 HydrophobicContact CG2-CG2 4.27Å; V603-I729 HydrophobicContact CG1-CG2 3.36Å; V610-I729 HydrophobicContact CG2-CG2 4.15Å; L724-I729 HydrophobicContact CB-CD1 3.82Å; L724-I729 HydrophobicContact CD1-CD1 4.2Å; L724-I729 HydrophobicContact CD2-CD1 4.13Å; L724-I729 HydrophobicContact CG-CD1 4.29Å; D725-I729 WeakPolarHBondContact O-CB 3.44Å; D725-I729 WeakPolarHBondContact O-CD1 3.15Å; D725-I729 WeakPolarHBondContact O-CG1 3.36Å; D725-I729 PolarHBondContact O-N 3.27Å; T726-I729 PolarHBondContact O-N 3.26Å; I729-G733 PolarHBondContact O-N 2.85Å
730	I	81.1	Confident	79.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-41.8	-178.1	-71.7	163	0	0	0	110.7	V603 H608 V610 H691 T726 C727 N728 G733 C734	V603-I730 HydrophobicContact CG1-CG1 4.02Å; H608-I730 HydrophobicContact CB-CG2 4.25Å; H608-I730 WeakPolarHBondContact O-CD1 3.16Å; V610-I730 HydrophobicContact CG2-CD1 4.16Å; V610-I730 HydrophobicContact CG2-CG1 4.28Å; H691-I730 HydrophobicContact CB-CB 4.11Å; H691-I730 HydrophobicContact CB-CD1 3.38Å; H691-I730 HydrophobicContact CB-CG1 4.32Å; H691-I730 HydrophobicContact CB-CG2 4.03Å; T726-I730 VanDerWaalsContact O-CB 3.31Å; T726-I730 WeakPolarHBondContact O-CB 3.46Å; T726-I730 WeakPolarHBondContact O-CG1 3.46Å; T726-I730 PolarHBondContact O-N 2.94Å; C727-I730 PolarHBondContact O-N 2.83Å; N728-I730 PolarHBondContact O-N 2.88Å; I730-G733 PolarHBondContact O-N 2.82Å; I730-C734 VanDerWaalsContact O-CB 3.25Å; I730-C734 WeakPolarHBondContact O-CB 3.41Å; I730-C734 PolarHBondContact O-N 2.97Å
731	S	81.1	Confident	78.4	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-46.2	176.8	-174	0	0	0	0	112.6	C727 N728 G733 Y735 T740	C727-S731 VanDerWaalsContact O-CB 3.3Å; C727-S731 WeakPolarHBondContact O-CB 3.33Å; C727-S731 PolarHBondContact O-N 2.88Å; N728-S731 PolarHBondContact O-N 3.38Å; S731-G733 VanDerWaalsContact C-N 3.3Å; S731-G733 PolarHBondContact O-N 2.85Å; S731-Y735 CarbonylContact O-C 3.57Å; S731-Y735 VanDerWaalsContact O-CA 3.23Å; S731-Y735 WeakPolarHBondContact O-CA 3.45Å; S731-Y735 WeakPolarHBondContact O-CB 3.17Å; S731-Y735 PolarHBondContact O-N 2.78Å; S731-T740 WeakPolarHBondContact CB-OG1 3.46Å; S731-T740 VanDerWaalsContact OG-CB 3.3Å; S731-T740 WeakPolarHBondContact OG-CB 3.37Å; S731-T740 WeakPolarHBondContact OG-CG2 3.36Å; S731-T740 PolarHBondContact OG-OG1 3.21Å
732	N	80.8	Confident	77.4	Confident	61 Å²	61	49.3 Å²	49.3	33%	0.326	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-33	-178.3	-70.7	-33.7	0	0	0	111.7	V509 Q510 N728	V509-N732 PolarHBondContact O-ND2 3.03Å; Q510-N732 HydrophobicContact CG-CB 4.2Å; N728-N732 WeakPolarHBondContact O-CB 3.33Å; N728-N732 PolarHBondContact O-N 2.86Å; N728-N732 PolarHBondContact O-ND2 3.16Å
733	G	79.9	Confident	76.1	Confident	22 Å²	22	57.1 Å²	57.1	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-80.6	-44.4	178.6	0	0	0	0	0	114.1	I729 I730 S731	I729-G733 PolarHBondContact O-N 2.85Å; I730-G733 PolarHBondContact O-N 2.82Å; S731-G733 VanDerWaalsContact C-N 3.3Å; S731-G733 PolarHBondContact O-N 2.85Å
734	C	79.5	Confident	74.6	Confident	25 Å²	25	62.2 Å²	62.2	17%	0.169	32%	0.321	C	S	.	.	H	α-helix	trans	-97.2	-25.8	-172.5	-58.1	0	0	0	0	113.9	C605 I730	C605-C734 WeakPolarHBondContact CA-SG 3.41Å; C605-C734 HydrophobicContact CB-CB 3.7Å; C605-C734 WeakPolarHBondContact CB-SG 3.34Å; C605-C734 WeakPolarHBondContact SG-CA 3.4Å; C605-C734 WeakPolarHBondContact SG-CB 3.37Å; C605-C734 CovalentContact SG-SG 2.04Å; C605-C734 PolarHBondContact SG-SG 2.84Å; I730-C734 VanDerWaalsContact O-CB 3.25Å; I730-C734 WeakPolarHBondContact O-CB 3.41Å; I730-C734 PolarHBondContact O-N 2.97Å
735	Y	79.3	Confident	72.8	Confident	102 Å²	102	67.4 Å²	67.4	40%	0.4	35%	0.349	S	S	.	.			trans	-129.4	49.3	-175.5	-55.5	-65.5	0	0	0	113	H608 S731 K737 V738	H608-Y735 AromaticContact CD2-CE2 3.95Å; H608-Y735 PolarHBondContact CE1-OH 2.78Å; H608-Y735 AromaticContact NE2-CE2 3.56Å; H608-Y735 AromaticContact NE2-CZ 3.52Å; H608-Y735 PolarHBondContact NE2-OH 2.82Å; S731-Y735 CarbonylContact O-C 3.57Å; S731-Y735 VanDerWaalsContact O-CA 3.23Å; S731-Y735 WeakPolarHBondContact O-CA 3.45Å; S731-Y735 WeakPolarHBondContact O-CB 3.17Å; S731-Y735 PolarHBondContact O-N 2.78Å; Y735-K737 PolarHBondContact O-N 3Å; Y735-V738 PolarHBondContact O-N 3.4Å
736	P	71.2	Confident	71.3	Confident	100 Å²	100	71.3 Å²	71.3	65%	0.649	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.3	-171.6	26.3	-36.1	0	0	0	114.6
737	K	72.8	Confident	69.6	Low	201 Å²	201	74.7 Å²	74.7	87%	0.874	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-4	-178.9	-63	-176.9	-179.4	179	0	113.8	Y735	Y735-K737 PolarHBondContact O-N 3Å
738	V	67.1	Low	68.2	Low	82 Å²	82	80.2 Å²	80.2	50%	0.497	41%	0.409	S	S	.	.	S	Bend	trans	-104.6	121.7	-178.7	-176.1	0	0	0	0	108.2	Y735 T740	Y735-V738 PolarHBondContact O-N 3.4Å; V738-T740 HydrophobicContact CG1-CG2 4.31Å; V738-T740 PolarHBondContact O-N 2.88Å
739	P	58.7	Low	66.5	Low	129 Å²	129	87.6 Å²	87.6	84%	0.838	44%	0.435	S	S	*	.			trans	-65.6	109.4	170.1	27.3	-32.6	0	0	0	108.5
740	T	61.9	Low	64.8	Low	62 Å²	62	89.5 Å²	89.5	38%	0.38	45%	0.445	S	S	.	.			trans	-104	129.2	175.6	51.3	0	0	0	0	109.8	S731 V738 C742	S731-T740 WeakPolarHBondContact CB-OG1 3.46Å; S731-T740 VanDerWaalsContact OG-CB 3.3Å; S731-T740 WeakPolarHBondContact OG-CB 3.37Å; S731-T740 WeakPolarHBondContact OG-CG2 3.36Å; S731-T740 PolarHBondContact OG-OG1 3.21Å; V738-T740 HydrophobicContact CG1-CG2 4.31Å; V738-T740 PolarHBondContact O-N 2.88Å; T740-C742 PolarHBondContact O-N 3.01Å
741	E	65.1	Low	63	Low	158 Å²	158	91.8 Å²	91.8	74%	0.738	46%	0.46	S	S	*	.			trans	-90.2	91	169.3	-71.5	-172.4	176.1	0	0	109.3	R743	E741-R743 VanDerWaalsContact C-N 3.29Å; E741-R743 PolarHBondContact O-N 3.21Å; E741-R743 IonicContact OE2-NE 2.64Å; E741-R743 IonicContact OE2-NH2 2.88Å
742	C	68.5	Low	61.5	Low	22 Å²	22	97.7 Å²	97.7	15%	0.149	50%	0.502	C	S	.	.			trans	-68.6	88.5	166.1	-75.6	0	0	0	0	109.6	R697 C727 N728 T740	R697-C742 PolarHBondContact NH1-O 2.86Å; C727-C742 HydrophobicContact CB-CB 3.89Å; C727-C742 WeakPolarHBondContact CB-SG 3.03Å; C727-C742 VanDerWaalsContact SG-CA 3.55Å; C727-C742 WeakPolarHBondContact SG-CB 3.49Å; C727-C742 CovalentContact SG-SG 2.03Å; C727-C742 PolarHBondContact SG-SG 3.4Å; N728-C742 PolarHBondContact OD1-SG 3.11Å; T740-C742 PolarHBondContact O-N 3.01Å
743	R	60.2	Low	59.7	Low	180 Å²	180	100.3 Å²	100.3	68%	0.679	52%	0.52	S	S	*	.			trans	-65.2	147.9	174.2	-68	-173.6	178.9	-175.9	-0.1	111	R697 E741 N745	R697-R743 PolarHBondContact NH1-O 2.82Å; E741-R743 VanDerWaalsContact C-N 3.29Å; E741-R743 PolarHBondContact O-N 3.21Å; E741-R743 IonicContact OE2-NE 2.64Å; E741-R743 IonicContact OE2-NH2 2.88Å; R743-N745 VanDerWaalsContact C-N 3.34Å
744	Q	55.9	Low	58.1	Low	107 Å²	107	100.8 Å²	100.8	50%	0.5	52%	0.516	S	S	.	.	S	Bend	trans	-74.6	-22.8	-175.6	-70.7	-176.3	-8.2	0	0	113.4
745	N	48.9	Very low	56.8	Low	109 Å²	109	103.3 Å²	103.3	58%	0.583	53%	0.527	S	S	*	.			trans	-103.8	114.7	-168.3	-63.8	-0.3	0	0	0	111.2	R743	R743-N745 VanDerWaalsContact C-N 3.34Å
746	Y	53.3	Low	55.3	Low	88 Å²	88	100 Å²	100	35%	0.345	52%	0.519	S	S	.	.			trans	-128.7	160	170.8	-93.2	-69.3	0	0	0	109.1	N693 K748	N693-Y746 HydrophobicContact CB-CE1 3.94Å; N693-Y746 WeakPolarHBondContact O-CD1 3.34Å; N693-Y746 WeakPolarHBondContact O-CE1 3.44Å; N693-Y746 WeakPolarHBondContact OD1-CE1 3.17Å; N693-Y746 PolarHBondContact OD1-OH 3.31Å; Y746-K748 PolarHBondContact O-N 3.02Å
747	P	47.4	Very low	53.7	Low	72 Å²	72	99.2 Å²	99.2	47%	0.468	51%	0.508	S	S	.	.			trans	-59.9	136.6	-153.9	20.6	-32.2	0	0	0	113.4	Y749	P747-Y749 PolarHBondContact O-N 2.95Å
748	K	51.7	Low	52.5	Low	124 Å²	124	94.6 Å²	94.6	54%	0.539	49%	0.491	S	S	.	.	S	Bend	trans	-60.5	-5.9	177.8	-70	-179.1	176.1	178.5	0	114.5	D634 Y746	D634-K748 WeakPolarHBondContact OD2-CE 3.4Å; D634-K748 IonicContact OD2-NZ 3.11Å; D634-K748 PolarHBondContact OD2-NZ 2.79Å; Y746-K748 PolarHBondContact O-N 3.02Å
749	Y	48.8	Very low	51.8	Low	191 Å²	191	93.5 Å²	93.5	75%	0.749	49%	0.487	S	S	*	.	S	Bend	trans	-128.3	117.5	-175.2	-53.2	-74.9	0	0	0	109	P747	P747-Y749 PolarHBondContact O-N 2.95Å
750	L	47.9	Very low	51.5	Low	40 Å²	40	89 Å²	89	21%	0.209	46%	0.458	C	S	.	.			trans	-62.4	139.6	165.1	-76	146.2	0	0	0	108.3	F631 Q667 F754	F631-L750 HydrophobicContact CE1-CD1 3.98Å; F631-L750 HydrophobicContact CE1-CG 4.5Å; F631-L750 HydrophobicContact CE2-CD1 4.41Å; F631-L750 HydrophobicContact CZ-CD1 3.44Å; F631-L750 VanDerWaalsContact CZ-CD1 3.44Å; F631-L750 HydrophobicContact CZ-CG 4.4Å; Q667-L750 HydrophobicContact CG-CD1 4.49Å; L750-F754 HydrophobicContact CD2-CD2 4.02Å; L750-F754 HydrophobicContact CD2-CE2 4.47Å; L750-F754 HydrophobicContact CD2-CG 4.26Å
751	P	43.7	Very low	51.1	Low	49 Å²	49	88.8 Å²	88.8	32%	0.318	46%	0.46	S	S	.	.			trans	-56.9	145.1	169	23.1	-30.7	0	0	0	109.7	T753 F754	P751-T753 PolarHBondContact O-N 3.1Å; P751-F754 PolarHBondContact O-N 3.33Å
752	S	48.5	Very low	50.6	Low	128 Å²	128	83.4 Å²	83.4	90%	0.895	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.5	179.1	53.8	0	0	0	0	112.9
753	T	42.7	Very low	49.8	Very low	116 Å²	116	83.1 Å²	83.1	71%	0.712	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	44.4	-179.4	61.7	0	0	0	0	112	P751 D755	P751-T753 PolarHBondContact O-N 3.1Å; T753-D755 PolarHBondContact O-N 2.93Å
754	F	47.8	Very low	49.2	Very low	31 Å²	31	79.4 Å²	79.4	14%	0.136	43%	0.427	C	S	.	.			trans	-65.1	101.4	162.3	-176.1	-94.8	0	0	0	107.6	Y695 L750 P751 P756	Y695-F754 HydrophobicContact CD1-CD2 4.34Å; Y695-F754 AromaticContact CD1-CE2 3.49Å; Y695-F754 HydrophobicContact CD1-CE2 3.49Å; Y695-F754 VanDerWaalsContact CD1-CE2 3.49Å; Y695-F754 HydrophobicContact CD1-CZ 4.28Å; Y695-F754 AromaticContact CE1-CD2 4Å; Y695-F754 HydrophobicContact CE1-CD2 4Å; Y695-F754 AromaticContact CE1-CE2 3.32Å; Y695-F754 HydrophobicContact CE1-CE2 3.32Å; Y695-F754 HydrophobicContact CE1-CZ 4.03Å; Y695-F754 HydrophobicContact CG-CE2 4.24Å; Y695-F754 AromaticContact CZ-CE2 3.97Å; L750-F754 HydrophobicContact CD2-CD2 4.02Å; L750-F754 HydrophobicContact CD2-CE2 4.47Å; L750-F754 HydrophobicContact CD2-CG 4.26Å; P751-F754 PolarHBondContact O-N 3.33Å; F754-P756 HydrophobicContact CE1-CB 4.09Å; F754-P756 WeakPolarHBondContact O-CD 3.03Å
755	D	50.9	Low	48.8	Very low	78 Å²	78	78.3 Å²	78.3	42%	0.417	43%	0.425	S	S	.	.			trans	-97.8	98	177.3	-167.1	-0.9	0	0	0	110	T753 L757 M758	T753-D755 PolarHBondContact O-N 2.93Å; D755-L757 PolarHBondContact O-N 2.67Å; D755-L757 WeakPolarHBondContact OD1-CB 3.35Å; D755-L757 WeakPolarHBondContact OD1-CG 3.45Å; D755-L757 PolarHBondContact OD1-N 2.92Å; D755-M758 PolarHBondContact O-N 2.51Å
756	P	48.3	Very low	48.3	Very low	33 Å²	33	78.3 Å²	78.3	21%	0.214	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-1.9	175.8	26.5	-32.9	0	0	0	113.3	F754 M758	F754-P756 HydrophobicContact CE1-CB 4.09Å; F754-P756 WeakPolarHBondContact O-CD 3.03Å; P756-M758 PolarHBondContact O-N 2.8Å
757	L	38.6	Very low	47.8	Very low	83 Å²	83	81.4 Å²	81.4	44%	0.435	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.4	170.4	-67.8	168.7	0	0	0	113.7	D755 S759 I777	D755-L757 PolarHBondContact O-N 2.67Å; D755-L757 WeakPolarHBondContact OD1-CB 3.35Å; D755-L757 WeakPolarHBondContact OD1-CG 3.45Å; D755-L757 PolarHBondContact OD1-N 2.92Å; L757-S759 PolarHBondContact O-N 3.23Å; L757-I777 HydrophobicContact CD2-CD1 3.89Å
758	M	47.1	Very low	47.6	Very low	105 Å²	105	80.2 Å²	80.2	52%	0.517	45%	0.45	S	S	.	.	S	Bend	trans	-59.5	108.8	168	-66.6	-128.5	121.6	0	0	108.1	Y690 D755 P756 S760	Y690-M758 HydrophobicContact CE2-CB 4.48Å; Y690-M758 PolarHBondContact OH-O 3.08Å; D755-M758 PolarHBondContact O-N 2.51Å; P756-M758 PolarHBondContact O-N 2.8Å; M758-S760 PolarHBondContact O-N 3.36Å
759	S	52.6	Low	47.4	Very low	58 Å²	58	80.1 Å²	80.1	41%	0.406	46%	0.46	S	S	.	.			trans	41.3	52.6	161.7	72.4	0	0	0	0	120	Q609 T686 Y690 L757 S761	Q609-S759 PolarHBondContact NE2-O 3.02Å; Q609-S759 PolarHBondContact OE1-O 3.26Å; Q609-S759 PolarHBondContact OE1-OG 2.03Å; T686-S759 PolarHBondContact OG1-O 3.07Å; Y690-S759 PolarHBondContact OH-OG 3.38Å; L757-S759 PolarHBondContact O-N 3.23Å; S759-S761 PolarHBondContact O-N 3.44Å
760	S	51.1	Low	47.4	Very low	34 Å²	34	78.2 Å²	78.2	24%	0.238	46%	0.462	C	S	.	.			trans	-77.4	108.2	152	66.1	0	0	0	0	109.1	T686 M758 I777	T686-S760 WeakPolarHBondContact OG1-CA 3.48Å; M758-S760 PolarHBondContact O-N 3.36Å; S760-I777 WeakPolarHBondContact OG-CD1 3.21Å
761	S	53.7	Low	47.8	Very low	59 Å²	59	79.4 Å²	79.4	41%	0.413	47%	0.467	S	S	.	.			trans	-120.9	139.1	177.2	55.7	0	0	0	0	109.3	T686 S759 I763	T686-S761 PolarHBondContact N-O 3.04Å; T686-S761 PolarHBondContact OG1-N 3.13Å; T686-S761 PolarHBondContact OG1-O 2.79Å; T686-S761 PolarHBondContact OG1-OG 2.82Å; S759-S761 PolarHBondContact O-N 3.44Å; S761-I763 PolarHBondContact O-N 3.35Å
762	V	54.3	Low	48.6	Very low	45 Å²	45	81.4 Å²	81.4	27%	0.273	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-70.5	122.9	167.7	179.7	0	0	0	0	106.7	L764 P773 C775	V762-L764 HydrophobicContact CG1-CD2 3.8Å; V762-L764 HydrophobicContact CG1-CG 4.16Å; V762-L764 PolarHBondContact O-N 2.74Å; V762-P773 HydrophobicContact CG1-CG 3.88Å; V762-C775 HydrophobicContact CG2-CB 3.58Å
763	I	53.3	Low	49.3	Very low	16 Å²	16	75.9 Å²	75.9	8%	0.082	44%	0.435	C	S	.	.			trans	-79.5	94	174.3	-56.6	174.8	0	0	0	105.7	I517 Y611 E684 T686 S761 N765	I517-I763 HydrophobicContact CD1-CG2 4.4Å; Y611-I763 HydrophobicContact CD1-CD1 4.39Å; Y611-I763 HydrophobicContact CD2-CD1 4.08Å; Y611-I763 HydrophobicContact CG-CD1 3.84Å; E684-I763 HydrophobicContact CB-CB 4.1Å; E684-I763 PolarHBondContact O-N 3.35Å; T686-I763 HydrophobicContact CG2-CD1 3.9Å; T686-I763 HydrophobicContact CG2-CG1 4.02Å; S761-I763 PolarHBondContact O-N 3.35Å; I763-N765 PolarHBondContact O-N 2.75Å
764	L	47.5	Very low	50.5	Low	101 Å²	101	74 Å²	74	53%	0.529	42%	0.423	S	S	.	.			trans	-76.3	108.9	176.4	-66.8	172.1	0	0	0	108.5	V762 S766 I772	V762-L764 HydrophobicContact CG1-CD2 3.8Å; V762-L764 HydrophobicContact CG1-CG 4.16Å; V762-L764 PolarHBondContact O-N 2.74Å; L764-S766 PolarHBondContact O-N 3.32Å; L764-I772 HydrophobicContact CD2-CG1 4.46Å; L764-I772 HydrophobicContact CD2-CG2 4.04Å
765	N	46.2	Very low	51.4	Low	85 Å²	85	74.1 Å²	74.1	46%	0.455	43%	0.428	S	S	.	.			trans	-64.4	124.8	163.7	-84.2	-36.7	0	0	0	108.1	E684 I763 N767	E684-N765 PolarHBondContact OE2-ND2 3.01Å; I763-N765 PolarHBondContact O-N 2.75Å; N765-N767 PolarHBondContact O-N 3.37Å
766	S	39.8	Very low	52.2	Low	109 Å²	109	75.7 Å²	75.7	76%	0.762	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-8.4	-172.6	56.2	0	0	0	0	115.7	L764	L764-S766 PolarHBondContact O-N 3.32Å
767	N	41.6	Very low	52.7	Low	152 Å²	152	76.9 Å²	76.9	81%	0.813	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	2.9	-167.5	-72.2	-0.9	0	0	0	115.2	N765	N765-N767 PolarHBondContact O-N 3.37Å
768	S	44.2	Very low	53.4	Low	48 Å²	48	73.6 Å²	73.6	34%	0.336	42%	0.421	S	S	.	.			trans	-137	77.4	-179.1	65.5	0	0	0	0	113.1	N770 Q771	S768-N770 PolarHBondContact O-N 2.81Å; S768-N770 VanDerWaalsContact O-N 3.11Å; S768-Q771 PolarHBondContact O-N 3.01Å
769	T	47.3	Very low	53.4	Low	122 Å²	122	74 Å²	74	75%	0.748	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-24.4	173.6	46	0	0	0	0	113.4
770	N	48.7	Very low	53	Low	150 Å²	150	76.4 Å²	76.4	80%	0.802	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	0.6	-177.5	-69.6	-6.2	0	0	0	115.1	S768	S768-N770 PolarHBondContact O-N 2.81Å; S768-N770 VanDerWaalsContact O-N 3.11Å
771	Q	55.9	Low	53.1	Low	65 Å²	65	78.5 Å²	78.5	30%	0.304	43%	0.431	S	S	.	.			trans	-126.9	49.6	-175	-63.9	-174.5	-13.5	0	0	112	G679 M680 S768 P773	G679-Q771 VanDerWaalsContact C-NE2 3.26Å; G679-Q771 PolarHBondContact O-NE2 3.24Å; G679-Q771 VanDerWaalsContact O-NE2 3.07Å; M680-Q771 HydrophobicContact CG-CB 3.88Å; M680-Q771 HydrophobicContact CG-CG 4.43Å; S768-Q771 PolarHBondContact O-N 3.01Å; Q771-P773 WeakPolarHBondContact O-CD 3.4Å
772	I	60.5	Low	53	Low	92 Å²	92	79.5 Å²	79.5	47%	0.472	43%	0.432	S	S	.	.			trans	-84.6	120	178.5	-58.3	173.9	0	0	0	108.4	L764	L764-I772 HydrophobicContact CD2-CG1 4.46Å; L764-I772 HydrophobicContact CD2-CG2 4.04Å
773	P	62.3	Low	53	Low	11 Å²	11	81.4 Å²	81.4	7%	0.071	44%	0.441	C	S	.	.			trans	-71	145.8	173.1	29.7	-32.1	0	0	0	110.1	Q675 M680 L683 V762 Q771 C775	Q675-P773 WeakPolarHBondContact O-CA 3.23Å; M680-P773 HydrophobicContact CE-CB 3.8Å; M680-P773 HydrophobicContact CE-CG 3.8Å; M680-P773 HydrophobicContact SD-CB 4.02Å; L683-P773 HydrophobicContact CD1-CB 3.76Å; L683-P773 HydrophobicContact CD1-CG 3.64Å; V762-P773 HydrophobicContact CG1-CG 3.88Å; Q771-P773 WeakPolarHBondContact O-CD 3.4Å; P773-C775 PolarHBondContact O-N 2.98Å
774	V	67.8	Low	52.9	Low	76 Å²	76	85.3 Å²	85.3	46%	0.461	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	101.1	170.4	-178	0	0	0	0	107.4	C674 Q675 M776	C674-V774 CarbonylContact C-O 3.48Å; C674-V774 WeakPolarHBondContact CA-O 3.23Å; Q675-V774 PolarHBondContact N-O 3.32Å; Q675-V774 PolarHBondContact O-N 3.38Å; V774-M776 HydrophobicContact CG1-CG 4.44Å
775	C	67.6	Low	53.3	Low	35 Å²	35	84.3 Å²	84.3	24%	0.236	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.4	174.3	-65.7	0	0	0	0	110.8	I672 Y673 C674 V762 P773	I672-C775 HydrophobicContact CG2-CB 4.47Å; Y673-C775 CarbonylContact O-C 3.57Å; Y673-C775 WeakPolarHBondContact O-CA 3.47Å; C674-C775 HydrophobicContact CB-CB 4.19Å; C674-C775 WeakPolarHBondContact CB-SG 3.49Å; C674-C775 WeakPolarHBondContact SG-CB 3.47Å; C674-C775 CovalentContact SG-SG 2.05Å; C674-C775 PolarHBondContact SG-SG 2.91Å; V762-C775 HydrophobicContact CG2-CB 3.58Å; P773-C775 PolarHBondContact O-N 2.98Å
776	M	67.3	Low	53.7	Low	110 Å²	110	84.3 Å²	84.3	54%	0.542	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.9	178.1	-60.3	-171.2	-65.3	0	0	109.6	Y673 V774	Y673-M776 HydrophobicContact CD1-CE 4.35Å; Y673-M776 PolarHBondContact N-O 3.44Å; Y673-M776 PolarHBondContact O-N 3.18Å; V774-M776 HydrophobicContact CG1-CG 4.44Å
777	I	58.9	Low	54.7	Low	58 Å²	58	82.5 Å²	82.5	30%	0.297	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	117	171.4	-57.2	172.2	0	0	0	106.9	K670 L757 S760	K670-I777 HydrophobicContact CB-CG2 3.71Å; K670-I777 HydrophobicContact CD-CG2 4.11Å; K670-I777 HydrophobicContact CG-CG2 4.48Å; L757-I777 HydrophobicContact CD2-CD1 3.89Å; S760-I777 WeakPolarHBondContact OG-CD1 3.21Å
778	D	54.5	Low	55.7	Low	15 Å²	15	77.2 Å²	77.2	8%	0.08	41%	0.408	C	S	.	.			trans	-82.7	114.8	179.4	-161.1	10.7	0	0	0	108	K670 P671 Y780	K670-D778 WeakPolarHBondContact CA-O 3.3Å; P671-D778 WeakPolarHBondContact CD-O 3.34Å; P671-D778 HydrophobicContact CG-CB 4.05Å; P671-D778 PolarHBondContact O-N 2.8Å; D778-Y780 PolarHBondContact O-N 3.1Å; D778-Y780 WeakPolarHBondContact OD2-CE2 3.29Å
779	E	46.2	Very low	56.7	Low	114 Å²	114	79.6 Å²	79.6	53%	0.533	41%	0.414	S	S	.	.			trans	-84.3	112	-179.2	-62.7	-163.6	131.3	0	0	110.2	K670	K670-E779 HydrophobicContact CD-CG 4.22Å; K670-E779 IonicContact NZ-OE1 3.43Å; K670-E779 PolarHBondContact NZ-OE1 2.77Å
780	Y	43.4	Very low	57.6	Low	107 Å²	107	75.7 Å²	75.7	42%	0.42	38%	0.383	S	S	.	.			trans	-104.1	0	172.6	-89.5	-76.1	0	0	0	113.3	K658 T668 P671 D778	K658-Y780 PolarHBondContact NZ-OH 3.49Å; T668-Y780 WeakPolarHBondContact CB-O 3.25Å; T668-Y780 WeakPolarHBondContact CG2-O 3.24Å; P671-Y780 HydrophobicContact CG-CD2 4.22Å; P671-Y780 HydrophobicContact CG-CE2 4.33Å; D778-Y780 PolarHBondContact O-N 3.1Å; D778-Y780 WeakPolarHBondContact OD2-CE2 3.29Å

Retrieved 780 of 780 residues in 883.6 ms (Link to these results)

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