A0A087Y6F7_POEFO Loading...

Zinc finger FYVE-type containing 1

AlphaFold DB , UniProt , Accession A0A087Y6F7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.1	Very low	28.8	Very low	227 Å²	227	137.9 Å²	137.9	100%	1.118	86%	0.858	S	S	*	*				0	100	0	-64.4	-158.1	107.3	0	0	106.8
2	S	26.5	Very low	29.8	Very low	117 Å²	117	134.8 Å²	134.8	82%	0.818	84%	0.837	S	S	*	*				85.6	119.3	104.2	-43.9	0	0	0	0	109.1
3	G	26.8	Very low	31	Very low	71 Å²	71	134.5 Å²	134.5	73%	0.732	83%	0.827	S	S	*	*			cis	169.1	128.1	5	0	0	0	0	0	104.7
4	H	27.3	Very low	32.9	Very low	205 Å²	205	130.4 Å²	130.4	95%	0.949	80%	0.801	S	S	*	*			trans	-116	121.7	171.9	-89.2	-29.4	0	0	0	108.7
5	G	25.7	Very low	35.1	Very low	81 Å²	81	123.9 Å²	123.9	84%	0.835	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-68.1	140.5	-172.4	0	0	0	0	0	112.9
6	S	26.8	Very low	37.8	Very low	117 Å²	117	116.9 Å²	116.9	82%	0.818	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-77.4	126.4	173.2	58.3	0	0	0	0	110.7
7	S	28.3	Very low	40.5	Very low	114 Å²	114	112.9 Å²	112.9	80%	0.797	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-68.6	124	169.8	56.3	0	0	0	0	111
8	S	29.7	Very low	42.9	Very low	113 Å²	113	106.9 Å²	106.9	79%	0.79	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-58.3	130.2	173.6	-43.2	0	0	0	0	112.2	K10	S8-K10 PolarHBondContact O-N 3.22Å
9	E	30.5	Very low	45	Very low	196 Å²	196	104.6 Å²	104.6	92%	0.916	64%	0.639	S	S	*	*			trans	-61.8	114	170.2	-71.7	-179.4	147.3	0	0	110.1	G11	E9-G11 PolarHBondContact O-N 3.33Å
10	K	32.1	Very low	46.9	Very low	199 Å²	199	101.3 Å²	101.3	87%	0.865	62%	0.615	S	S	*	*			trans	-73.6	106.9	169.6	-76.7	179.6	175.4	178.3	0	108.7	S8 V12	S8-K10 PolarHBondContact O-N 3.22Å; K10-V12 PolarHBondContact O-N 3.27Å
11	G	35.5	Very low	48.2	Very low	77 Å²	77	102.1 Å²	102.1	79%	0.794	62%	0.616	S	S	*	*			trans	-56.2	121.6	165.5	0	0	0	0	0	110.2	E9 N13	E9-G11 PolarHBondContact O-N 3.33Å; G11-N13 PolarHBondContact O-N 3.26Å
12	V	40.7	Very low	50.3	Low	101 Å²	101	96.8 Å²	96.8	61%	0.612	59%	0.585	S	S	*	*			trans	-74.5	115.1	179.5	178.3	0	0	0	0	108.2	K10 T14 I118	K10-V12 PolarHBondContact O-N 3.27Å; V12-T14 PolarHBondContact O-N 2.72Å; V12-T14 VanDerWaalsContact O-N 3.11Å; V12-I118 HydrophobicContact CG1-CD1 3.8Å
13	N	45.2	Very low	52.9	Low	131 Å²	131	93.3 Å²	93.3	70%	0.701	56%	0.56	S	S	*	*			trans	-70.3	104.3	-179.2	-163	-4.9	0	0	0	110.1	G11 S15	G11-N13 PolarHBondContact O-N 3.26Å; N13-S15 VanDerWaalsContact C-N 3.26Å; N13-S15 PolarHBondContact O-N 2.89Å; N13-S15 WeakPolarHBondContact OD1-CB 3.38Å; N13-S15 PolarHBondContact OD1-N 3.45Å
14	T	57.7	Low	55.4	Low	77 Å²	77	90.6 Å²	90.6	47%	0.472	53%	0.53	S	S	.	.			trans	-93.5	35.9	175.7	57.2	0	0	0	0	111.8	V12 L16	V12-T14 PolarHBondContact O-N 2.72Å; V12-T14 VanDerWaalsContact O-N 3.11Å; T14-L16 PolarHBondContact O-N 3.33Å; T14-L16 VanDerWaalsContact O-N 3.14Å
15	S	65.1	Low	57.4	Low	32 Å²	32	83.4 Å²	83.4	22%	0.224	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-57	120.3	178.3	178.1	0	0	0	0	110.5	N13 E29	N13-S15 VanDerWaalsContact C-N 3.26Å; N13-S15 PolarHBondContact O-N 2.89Å; N13-S15 WeakPolarHBondContact OD1-CB 3.38Å; N13-S15 PolarHBondContact OD1-N 3.45Å; S15-E29 VanDerWaalsContact CB-OE1 3.31Å; S15-E29 WeakPolarHBondContact CB-OE1 3.26Å; S15-E29 VanDerWaalsContact OG-CG 3.29Å; S15-E29 WeakPolarHBondContact OG-CG 3.5Å; S15-E29 PolarHBondContact OG-OE1 2.85Å
16	L	79.4	Confident	59.6	Low	13 Å²	13	80.7 Å²	80.7	7%	0.068	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-81.1	121.2	175.5	-69	177.4	0	0	0	107.2	T14 A30 L40 V63 H67 P69 Y120	T14-L16 PolarHBondContact O-N 3.33Å; T14-L16 VanDerWaalsContact O-N 3.14Å; L16-A30 HydrophobicContact CB-CB 4.35Å; L16-A30 WeakPolarHBondContact O-CB 3.35Å; L16-A30 PolarHBondContact O-N 2.85Å; L16-L40 HydrophobicContact CB-CD1 4.09Å; L16-L40 HydrophobicContact CD1-CD1 4.42Å; L16-L40 HydrophobicContact CD1-CD2 4.28Å; L16-L40 HydrophobicContact CD2-CD1 4.17Å; L16-L40 HydrophobicContact CG-CD1 4.46Å; L16-V63 HydrophobicContact CB-CG1 4.44Å; L16-V63 HydrophobicContact CD1-CG1 3.72Å; L16-H67 HydrophobicContact CD1-CB 4.42Å; L16-P69 HydrophobicContact CD1-CG 4.39Å; L16-P69 HydrophobicContact CD2-CG 3.87Å; L16-Y120 WeakPolarHBondContact CD2-OH 3.34Å
17	T	82.8	Confident	61.6	Low	49 Å²	49	79.7 Å²	79.7	30%	0.301	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-92.7	149.5	-178.6	53.8	0	0	0	0	110.7	Q19 E28	T17-Q19 PolarHBondContact O-N 3.11Å; T17-E28 WeakPolarHBondContact CA-O 3.44Å
18	C	84.6	Confident	64.2	Low	4 Å²	4	77 Å²	77	3%	0.027	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-54.5	130.9	171.7	-172.6	0	0	0	0	110.1	E20 G26 E28 C42	C18-E20 PolarHBondContact SG-N 3.23Å; C18-E20 PolarHBondContact SG-O 3.03Å; C18-E20 VanDerWaalsContact SG-O 3.38Å; C18-G26 WeakPolarHBondContact O-CA 3.46Å; C18-E28 WeakPolarHBondContact CB-O 3.04Å; C18-E28 PolarHBondContact N-O 3.14Å; C18-C42 HydrophobicContact CB-CB 3.88Å; C18-C42 PolarHBondContact SG-N 3.39Å; C18-C42 VanDerWaalsContact SG-SG 3.69Å
19	Q	83.1	Confident	66.8	Low	64 Å²	64	77.8 Å²	77.8	30%	0.299	44%	0.442	S	S	.	.			trans	-97.6	-2.3	176.8	-68.7	176.1	-34.3	0	0	111.8	T17 L40 D72	T17-Q19 PolarHBondContact O-N 3.11Å; Q19-L40 HydrophobicContact CG-CB 4.08Å; Q19-L40 PolarHBondContact N-O 3.44Å; Q19-D72 PolarHBondContact NE2-OD1 3.48Å
20	E	83.1	Confident	69.5	Low	37 Å²	37	68.9 Å²	68.9	17%	0.173	40%	0.403	C	S	.	.			trans	-98.3	133	178	-64.9	-62.5	164.4	0	0	111.8	C18 T39 Q41 C45 L49	C18-E20 PolarHBondContact SG-N 3.23Å; C18-E20 PolarHBondContact SG-O 3.03Å; C18-E20 VanDerWaalsContact SG-O 3.38Å; E20-T39 WeakPolarHBondContact OE1-CB 3.4Å; E20-T39 VanDerWaalsContact OE1-CG2 3.22Å; E20-T39 WeakPolarHBondContact OE1-CG2 3.24Å; E20-T39 PolarHBondContact OE1-OG1 3.16Å; E20-Q41 HydrophobicContact CG-CG 3.76Å; E20-C45 HydrophobicContact CB-CB 3.71Å; E20-C45 PolarHBondContact O-SG 3.5Å; E20-L49 HydrophobicContact CG-CD2 4.35Å
21	N	73.3	Confident	72.1	Confident	119 Å²	119	60.9 Å²	60.9	64%	0.636	37%	0.373	S	S	*	.			trans	-99.4	12.9	-180	-74.6	-13.1	0	0	0	113.5	S23 G25 G26	N21-S23 PolarHBondContact O-N 2.88Å; N21-G25 PolarHBondContact OD1-O 2.82Å; N21-G26 WeakPolarHBondContact OD1-CA 3.19Å; N21-G26 PolarHBondContact OD1-N 3.32Å; N21-G26 VanDerWaalsContact OD1-N 3.09Å
22	Y	72.7	Confident	74.7	Confident	116 Å²	116	59.7 Å²	59.7	46%	0.455	35%	0.346	S	S	.	.	S	Bend	trans	-67.9	-38.4	-172	-154.5	-85.4	0	0	0	113.5	E48 L49 Q52	Y22-E48 HydrophobicContact CD1-CB 3.96Å; Y22-E48 HydrophobicContact CD1-CG 3.54Å; Y22-E48 HydrophobicContact CE1-CB 4.21Å; Y22-E48 HydrophobicContact CE1-CG 3.35Å; Y22-L49 HydrophobicContact CD2-CD1 3.96Å; Y22-L49 HydrophobicContact CE2-CD1 4.39Å; Y22-L49 HydrophobicContact CG-CD1 4.48Å; Y22-Q52 PolarHBondContact OH-NE2 2.84Å
23	S	80	Confident	77	Confident	43 Å²	43	55 Å²	55	30%	0.301	32%	0.318	S	S	.	.	S	Bend	trans	-134.4	-27.5	-177.7	-56.8	0	0	0	0	115.3	N21 C45	N21-S23 PolarHBondContact O-N 2.88Å; S23-C45 PolarHBondContact N-SG 2.72Å
24	C	79	Confident	78.9	Confident	15 Å²	15	48.8 Å²	48.8	10%	0.101	29%	0.285	C	S	.	.	S	Bend	trans	-108	-6	-176.6	74.1	0	0	0	0	114.9	G26 S27 E28	C24-G26 PolarHBondContact O-N 2.79Å; C24-G26 PolarHBondContact SG-N 3.39Å; C24-G26 VanDerWaalsContact SG-N 3.36Å; C24-S27 PolarHBondContact O-OG 2.85Å; C24-E28 HydrophobicContact CB-CB 3.96Å; C24-E28 HydrophobicContact CB-CG 3.65Å
25	G	71.3	Confident	79.9	Confident	54 Å²	54	47.8 Å²	47.8	56%	0.557	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	23.3	-174.9	0	0	0	0	0	115	N21	N21-G25 PolarHBondContact OD1-O 2.82Å
26	G	70.3	Confident	80.6	Confident	23 Å²	23	50.2 Å²	50.2	24%	0.237	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	14	174.2	0	0	0	0	0	115.8	C18 N21 C24	C18-G26 WeakPolarHBondContact O-CA 3.46Å; N21-G26 WeakPolarHBondContact OD1-CA 3.19Å; N21-G26 PolarHBondContact OD1-N 3.32Å; N21-G26 VanDerWaalsContact OD1-N 3.09Å; C24-G26 PolarHBondContact O-N 2.79Å; C24-G26 PolarHBondContact SG-N 3.39Å; C24-G26 VanDerWaalsContact SG-N 3.36Å
27	S	69.8	Low	80.6	Confident	97 Å²	97	51.1 Å²	51.1	68%	0.678	29%	0.294	S	S	*	.			trans	-102.1	-16.2	-174.8	62.9	0	0	0	0	114.9	C24	C24-S27 PolarHBondContact O-OG 2.85Å
28	E	82.3	Confident	80.3	Confident	58 Å²	58	54.6 Å²	54.6	27%	0.271	31%	0.305	S	S	.	.	S	Bend	trans	-83.8	156.9	-179.7	-73.2	178.2	-171.3	0	0	112.3	T17 C18 C24 C42 R44	T17-E28 WeakPolarHBondContact CA-O 3.44Å; C18-E28 WeakPolarHBondContact CB-O 3.04Å; C18-E28 PolarHBondContact N-O 3.14Å; C24-E28 HydrophobicContact CB-CB 3.96Å; C24-E28 HydrophobicContact CB-CG 3.65Å; E28-C42 HydrophobicContact CB-CB 3.74Å; E28-C42 PolarHBondContact OE2-SG 3.46Å; E28-R44 WeakPolarHBondContact OE1-CD 3.47Å; E28-R44 IonicContact OE1-CZ 2.64Å; E28-R44 IonicContact OE1-NH1 3.82Å; E28-R44 PolarHBondContact OE1-NH1 3.47Å
29	E	84.4	Confident	80.2	Confident	128 Å²	128	55.7 Å²	55.7	60%	0.598	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-68.1	139	173.4	-57.7	-163.3	144.3	0	0	110.8	S15 C42	S15-E29 VanDerWaalsContact CB-OE1 3.31Å; S15-E29 WeakPolarHBondContact CB-OE1 3.26Å; S15-E29 VanDerWaalsContact OG-CG 3.29Å; S15-E29 WeakPolarHBondContact OG-CG 3.5Å; S15-E29 PolarHBondContact OG-OE1 2.85Å; E29-C42 WeakPolarHBondContact O-CA 3.12Å; E29-C42 WeakPolarHBondContact O-CB 3.45Å
30	A	86.5	Confident	80.4	Confident	10 Å²	10	52.6 Å²	52.6	8%	0.083	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-75	126.4	176.7	0	0	0	0	0	109.9	L16 L40 Q41	L16-A30 HydrophobicContact CB-CB 4.35Å; L16-A30 WeakPolarHBondContact O-CB 3.35Å; L16-A30 PolarHBondContact O-N 2.85Å; A30-L40 HydrophobicContact CB-CB 3.71Å; A30-L40 HydrophobicContact CB-CD2 4.09Å; A30-L40 HydrophobicContact CB-CG 4.39Å; A30-Q41 CarbonylContact C-O 2.95Å; A30-Q41 WeakPolarHBondContact CA-O 3.34Å
31	A	87.8	Confident	80.8	Confident	30 Å²	30	50.9 Å²	50.9	25%	0.248	29%	0.289	C	S	.	.			trans	-99.5	-21.7	175	0	0	0	0	0	111.8	Q41 V43 V63	A31-Q41 PolarHBondContact N-O 2.89Å; A31-V43 HydrophobicContact CB-CG2 3.58Å; A31-V63 PolarHBondContact O-N 2.77Å
32	F	89.9	Confident	81.6	Confident	53 Å²	53	45.2 Å²	45.2	23%	0.232	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.4	-176.1	-54.7	-77.6	0	0	0	111.2	L40 Q41 V43 E46 V61	F32-L40 CarbonylContact O-C 3.59Å; F32-L40 WeakPolarHBondContact O-CA 3.37Å; F32-Q41 PolarHBondContact N-O 3.35Å; F32-Q41 PolarHBondContact O-N 3.49Å; F32-V43 HydrophobicContact CE2-CG2 4.12Å; F32-E46 HydrophobicContact CB-CG 4.46Å; F32-E46 HydrophobicContact CD2-CB 3.92Å; F32-E46 HydrophobicContact CD2-CG 3.81Å; F32-E46 HydrophobicContact CE2-CG 4.36Å; F32-E46 HydrophobicContact CG-CG 4.24Å; F32-V61 CarbonylContact C-O 3.56Å; F32-V61 WeakPolarHBondContact CA-O 3.37Å
33	E	88.7	Confident	82.3	Confident	3 Å²	3	43.4 Å²	43.4	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.4	161.8	-169.4	176.1	-147.2	0	0	107.2	L40 V61 V63 H67 P69 Y70 R86	E33-L40 HydrophobicContact CB-CD2 3.9Å; E33-L40 HydrophobicContact CG-CD2 4.09Å; E33-V61 PolarHBondContact N-O 2.85Å; E33-V61 PolarHBondContact O-N 3.02Å; E33-V63 HydrophobicContact CB-CG2 4.28Å; E33-H67 IonicContact OE2-CD2 3.94Å; E33-H67 IonicContact OE2-CE1 3.46Å; E33-H67 PolarHBondContact OE2-CE1 3.3Å; E33-H67 IonicContact OE2-NE2 2.78Å; E33-H67 PolarHBondContact OE2-NE2 3.43Å; E33-P69 WeakPolarHBondContact OE1-CA 3.26Å; E33-Y70 HydrophobicContact CG-CD2 4.49Å; E33-Y70 WeakPolarHBondContact OE1-CD2 3.43Å; E33-Y70 PolarHBondContact OE1-N 3.05Å; E33-R86 IonicContact OE1-NH1 3.49Å; E33-R86 PolarHBondContact OE1-NH1 2.84Å; E33-R86 IonicContact OE2-CZ 3.69Å; E33-R86 IonicContact OE2-NH1 2.71Å; E33-R86 PolarHBondContact OE2-NH1 2.85Å; E33-R86 IonicContact OE2-NH2 2.93Å
34	C	85.7	Confident	82.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.3	177.9	177.2	0	0	0	0	109.7	C37 K38 T39 H58 D59 R60	C34-C37 HydrophobicContact CB-CB 3.86Å; C34-C37 VanDerWaalsContact SG-CB 3.57Å; C34-C37 PolarHBondContact SG-N 3.48Å; C34-K38 WeakPolarHBondContact O-CA 3.48Å; C34-K38 PolarHBondContact O-N 3.24Å; C34-T39 PolarHBondContact N-O 2.99Å; C34-T39 PolarHBondContact O-N 3.23Å; C34-H58 WeakPolarHBondContact SG-CB 3.31Å; C34-D59 WeakPolarHBondContact CA-O 3.44Å; C34-R60 HydrophobicContact CB-CG 4.17Å
35	D	78.4	Confident	83	Confident	56 Å²	56	47 Å²	47	30%	0.299	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-34.6	-175.8	-84.1	-31.3	0	0	0	111.9	K38 D59 Y70	D35-K38 WeakPolarHBondContact O-CG 3.48Å; D35-D59 HydrophobicContact CB-CB 4.46Å; D35-D59 PolarHBondContact N-O 2.84Å; D35-Y70 WeakPolarHBondContact OD1-CE2 3.29Å; D35-Y70 PolarHBondContact OD1-OH 3.19Å
36	D	79.6	Confident	83.9	Confident	83 Å²	83	45.5 Å²	45.5	44%	0.444	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-45	179.9	-60.8	-73.9	0	0	0	113.1	K38 H58 D59	D36-K38 PolarHBondContact O-N 2.89Å; D36-H58 HydrophobicContact CB-CB 3.82Å; D36-H58 VanDerWaalsContact CB-CG 3.46Å; D36-H58 WeakPolarHBondContact OD2-CA 3.25Å; D36-H58 IonicContact OD2-CG 2.98Å; D36-D59 PolarHBondContact OD2-N 3.36Å
37	C	78.9	Confident	84.6	Confident	32 Å²	32	49.7 Å²	49.7	22%	0.216	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.3	172.3	-69.2	0	0	0	0	111.8	C34 T39 H50 H58	C34-C37 HydrophobicContact CB-CB 3.86Å; C34-C37 VanDerWaalsContact SG-CB 3.57Å; C34-C37 PolarHBondContact SG-N 3.48Å; C37-T39 VanDerWaalsContact C-N 3.26Å; C37-T39 PolarHBondContact O-N 3.05Å; C37-H50 PolarHBondContact SG-NE2 3.15Å; C37-H50 VanDerWaalsContact SG-NE2 3.35Å; C37-H58 VanDerWaalsContact SG-CE1 3.51Å; C37-H58 PolarHBondContact SG-ND1 2.86Å
38	K	76.7	Confident	85.4	Confident	122 Å²	122	48.4 Å²	48.4	53%	0.53	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	33.5	177.5	-61.7	172.4	-174.1	171.7	0	112.8	C34 D35 D36 R84	C34-K38 WeakPolarHBondContact O-CA 3.48Å; C34-K38 PolarHBondContact O-N 3.24Å; D35-K38 WeakPolarHBondContact O-CG 3.48Å; D36-K38 PolarHBondContact O-N 2.89Å; K38-R84 PolarHBondContact O-NH1 3.29Å
39	T	83.6	Confident	85.4	Confident	26 Å²	26	46.5 Å²	46.5	16%	0.16	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.5	-175.5	53	0	0	0	0	112	E20 C34 C37 Q41	E20-T39 WeakPolarHBondContact OE1-CB 3.4Å; E20-T39 VanDerWaalsContact OE1-CG2 3.22Å; E20-T39 WeakPolarHBondContact OE1-CG2 3.24Å; E20-T39 PolarHBondContact OE1-OG1 3.16Å; C34-T39 PolarHBondContact N-O 2.99Å; C34-T39 PolarHBondContact O-N 3.23Å; C37-T39 VanDerWaalsContact C-N 3.26Å; C37-T39 PolarHBondContact O-N 3.05Å; T39-Q41 PolarHBondContact OG1-NE2 3.45Å
40	L	87.5	Confident	85.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.1	166.6	-73.1	166	0	0	0	109.9	L16 Q19 A30 F32 E33 V63 P69	L16-L40 HydrophobicContact CB-CD1 4.09Å; L16-L40 HydrophobicContact CD1-CD1 4.42Å; L16-L40 HydrophobicContact CD1-CD2 4.28Å; L16-L40 HydrophobicContact CD2-CD1 4.17Å; L16-L40 HydrophobicContact CG-CD1 4.46Å; Q19-L40 HydrophobicContact CG-CB 4.08Å; Q19-L40 PolarHBondContact N-O 3.44Å; A30-L40 HydrophobicContact CB-CB 3.71Å; A30-L40 HydrophobicContact CB-CD2 4.09Å; A30-L40 HydrophobicContact CB-CG 4.39Å; F32-L40 CarbonylContact O-C 3.59Å; F32-L40 WeakPolarHBondContact O-CA 3.37Å; E33-L40 HydrophobicContact CB-CD2 3.9Å; E33-L40 HydrophobicContact CG-CD2 4.09Å; L40-V63 HydrophobicContact CD2-CG2 3.77Å; L40-P69 HydrophobicContact CD1-CB 3.95Å; L40-P69 HydrophobicContact CD2-CB 4.47Å; L40-P69 HydrophobicContact CG-CB 4.42Å
41	Q	90.6	Very high	85.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132	-170.3	-51.8	-175.7	-11.5	0	0	110.6	E20 A30 A31 F32 T39 E46 H50	E20-Q41 HydrophobicContact CG-CG 3.76Å; A30-Q41 CarbonylContact C-O 2.95Å; A30-Q41 WeakPolarHBondContact CA-O 3.34Å; A31-Q41 PolarHBondContact N-O 2.89Å; F32-Q41 PolarHBondContact N-O 3.35Å; F32-Q41 PolarHBondContact O-N 3.49Å; T39-Q41 PolarHBondContact OG1-NE2 3.45Å; Q41-E46 HydrophobicContact CB-CB 4.02Å; Q41-H50 PolarHBondContact NE2-CE1 3.15Å; Q41-H50 PolarHBondContact OE1-CE1 2.58Å; Q41-H50 PolarHBondContact OE1-ND1 3.5Å
42	C	89.7	Confident	84.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.007	24%	0.239	C	C	.	.			trans	-72.7	163.4	165.6	69.4	0	0	0	0	110	C18 E28 E29 R44 C45 E46	C18-C42 HydrophobicContact CB-CB 3.88Å; C18-C42 PolarHBondContact SG-N 3.39Å; C18-C42 VanDerWaalsContact SG-SG 3.69Å; E28-C42 HydrophobicContact CB-CB 3.74Å; E28-C42 PolarHBondContact OE2-SG 3.46Å; E29-C42 WeakPolarHBondContact O-CA 3.12Å; E29-C42 WeakPolarHBondContact O-CB 3.45Å; C42-R44 PolarHBondContact O-N 3.48Å; C42-R44 VanDerWaalsContact O-N 3.14Å; C42-C45 PolarHBondContact O-N 3.17Å; C42-C45 PolarHBondContact SG-N 3.42Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C42-E46 WeakPolarHBondContact O-CB 3.35Å; C42-E46 PolarHBondContact O-N 3.14Å
43	V	88.3	Confident	83.8	Confident	77 Å²	77	57 Å²	57	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-51.4	-41.1	-180	-178.5	0	0	0	0	111.9	A31 F32 L47	A31-V43 HydrophobicContact CB-CG2 3.58Å; F32-V43 HydrophobicContact CE2-CG2 4.12Å; V43-L47 HydrophobicContact CG1-CD1 3.96Å; V43-L47 WeakPolarHBondContact O-CB 3.03Å; V43-L47 WeakPolarHBondContact O-CD1 3.19Å; V43-L47 VanDerWaalsContact O-CG 3.27Å; V43-L47 WeakPolarHBondContact O-CG 3.28Å; V43-L47 PolarHBondContact O-N 3.41Å; V43-L47 VanDerWaalsContact O-N 3.11Å
44	R	89.6	Confident	83.2	Confident	135 Å²	135	63.2 Å²	63.2	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-72	-46	-177.2	-65.6	173.6	64.1	-160	0.8	112.8	E28 C42 E46 E48	E28-R44 WeakPolarHBondContact OE1-CD 3.47Å; E28-R44 IonicContact OE1-CZ 2.64Å; E28-R44 IonicContact OE1-NH1 3.82Å; E28-R44 PolarHBondContact OE1-NH1 3.47Å; C42-R44 PolarHBondContact O-N 3.48Å; C42-R44 VanDerWaalsContact O-N 3.14Å; R44-E46 VanDerWaalsContact C-N 3.34Å; R44-E48 WeakPolarHBondContact O-CB 3.41Å; R44-E48 PolarHBondContact O-N 2.86Å; R44-E48 VanDerWaalsContact O-N 3.15Å
45	C	84.6	Confident	82.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.9	-36.8	177.9	-74.3	0	0	0	0	111.3	E20 S23 C42 L49	E20-C45 HydrophobicContact CB-CB 3.71Å; E20-C45 PolarHBondContact O-SG 3.5Å; S23-C45 PolarHBondContact N-SG 2.72Å; C42-C45 PolarHBondContact O-N 3.17Å; C42-C45 PolarHBondContact SG-N 3.42Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C45-L49 WeakPolarHBondContact O-CB 3.21Å; C45-L49 PolarHBondContact O-N 2.81Å
46	E	88.1	Confident	82.8	Confident	22 Å²	22	69.7 Å²	69.7	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-51	175.8	179.8	-79.8	145.7	0	0	111.3	F32 Q41 C42 R44 E48 H50 R60	F32-E46 HydrophobicContact CB-CG 4.46Å; F32-E46 HydrophobicContact CD2-CB 3.92Å; F32-E46 HydrophobicContact CD2-CG 3.81Å; F32-E46 HydrophobicContact CE2-CG 4.36Å; F32-E46 HydrophobicContact CG-CG 4.24Å; Q41-E46 HydrophobicContact CB-CB 4.02Å; C42-E46 WeakPolarHBondContact O-CB 3.35Å; C42-E46 PolarHBondContact O-N 3.14Å; R44-E46 VanDerWaalsContact C-N 3.34Å; E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.34Å; E46-H50 WeakPolarHBondContact O-CB 3.5Å; E46-H50 PolarHBondContact O-N 3.49Å; E46-H50 VanDerWaalsContact O-N 3.08Å; E46-H50 PolarHBondContact O-ND1 2.93Å; E46-H50 IonicContact OE1-ND1 3.93Å; E46-R60 VanDerWaalsContact CG-CD 3.47Å; E46-R60 IonicContact OE1-CZ 3.94Å; E46-R60 IonicContact OE1-NE 3.17Å; E46-R60 PolarHBondContact OE1-NE 2.72Å; E46-R60 IonicContact OE1-NH2 3.25Å; E46-R60 PolarHBondContact OE1-NH2 2.87Å
47	L	87.1	Confident	82.8	Confident	110 Å²	110	72.5 Å²	72.5	58%	0.576	34%	0.335	S	S	*	.	H	α-helix	trans	-60.4	-44	-179.3	-78	168.3	0	0	0	112	V43 R51	V43-L47 HydrophobicContact CG1-CD1 3.96Å; V43-L47 WeakPolarHBondContact O-CB 3.03Å; V43-L47 WeakPolarHBondContact O-CD1 3.19Å; V43-L47 VanDerWaalsContact O-CG 3.27Å; V43-L47 WeakPolarHBondContact O-CG 3.28Å; V43-L47 PolarHBondContact O-N 3.41Å; V43-L47 VanDerWaalsContact O-N 3.11Å; L47-R51 WeakPolarHBondContact O-CB 3.19Å; L47-R51 PolarHBondContact O-N 3.14Å
48	E	85.5	Confident	83	Confident	70 Å²	70	73 Å²	73	33%	0.327	33%	0.334	S	S	.	.	H	α-helix	trans	-80.3	-38.8	-174	-165.4	65.1	-158.2	0	0	112.4	Y22 R44 E46 R51	Y22-E48 HydrophobicContact CD1-CB 3.96Å; Y22-E48 HydrophobicContact CD1-CG 3.54Å; Y22-E48 HydrophobicContact CE1-CB 4.21Å; Y22-E48 HydrophobicContact CE1-CG 3.35Å; R44-E48 WeakPolarHBondContact O-CB 3.41Å; R44-E48 PolarHBondContact O-N 2.86Å; R44-E48 VanDerWaalsContact O-N 3.15Å; E46-E48 VanDerWaalsContact C-N 3.34Å; E46-E48 PolarHBondContact O-N 3.34Å; E48-R51 WeakPolarHBondContact O-CB 3.37Å; E48-R51 PolarHBondContact O-N 2.71Å; E48-R51 IonicContact OE2-NH1 3.46Å
49	L	82.8	Confident	83.1	Confident	19 Å²	19	72.7 Å²	72.7	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-43.2	177.1	-170	73.4	0	0	0	110.9	E20 Y22 C45 R51 L55	E20-L49 HydrophobicContact CG-CD2 4.35Å; Y22-L49 HydrophobicContact CD2-CD1 3.96Å; Y22-L49 HydrophobicContact CE2-CD1 4.39Å; Y22-L49 HydrophobicContact CG-CD1 4.48Å; C45-L49 WeakPolarHBondContact O-CB 3.21Å; C45-L49 PolarHBondContact O-N 2.81Å; L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 3.36Å; L49-L55 HydrophobicContact CD1-CD1 4.32Å; L49-L55 HydrophobicContact CG-CD1 4.16Å
50	H	82.6	Confident	83.2	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.028	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	7.4	-177.5	-56.9	119.7	0	0	0	114.4	C37 Q41 E46 Q52 L55 R56 H58 R60	C37-H50 PolarHBondContact SG-NE2 3.15Å; C37-H50 VanDerWaalsContact SG-NE2 3.35Å; Q41-H50 PolarHBondContact NE2-CE1 3.15Å; Q41-H50 PolarHBondContact OE1-CE1 2.58Å; Q41-H50 PolarHBondContact OE1-ND1 3.5Å; E46-H50 WeakPolarHBondContact O-CB 3.5Å; E46-H50 PolarHBondContact O-N 3.49Å; E46-H50 VanDerWaalsContact O-N 3.08Å; E46-H50 PolarHBondContact O-ND1 2.93Å; E46-H50 IonicContact OE1-ND1 3.93Å; H50-Q52 PolarHBondContact O-N 3.33Å; H50-L55 PolarHBondContact CD2-O 2.78Å; H50-R56 WeakPolarHBondContact O-CA 3.33Å; H50-H58 AromaticContact CD2-ND1 3.93Å; H50-H58 AromaticContact NE2-ND1 3.65Å; H50-R60 PolarHBondContact CD2-NH1 2.98Å; H50-R60 PolarHBondContact CE1-NH1 3.4Å; H50-R60 PolarHBondContact ND1-NE 3.25Å; H50-R60 PolarHBondContact ND1-NH1 3.09Å; H50-R60 VanDerWaalsContact ND1-NH1 3.2Å; H50-R60 PolarHBondContact NE2-NH1 2.88Å
51	R	83.8	Confident	83.1	Confident	186 Å²	186	77.4 Å²	77.4	70%	0.702	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.7	165	-163.9	174.7	-177	160.9	4.2	112.1	L47 E48 L49	L47-R51 WeakPolarHBondContact O-CB 3.19Å; L47-R51 PolarHBondContact O-N 3.14Å; E48-R51 WeakPolarHBondContact O-CB 3.37Å; E48-R51 PolarHBondContact O-N 2.71Å; E48-R51 IonicContact OE2-NH1 3.46Å; L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 3.36Å
52	Q	78.6	Confident	82.8	Confident	64 Å²	64	81.7 Å²	81.7	30%	0.299	39%	0.387	S	S	.	.	S	Bend	trans	-72.8	133.3	178.5	-56.5	-174.3	6.2	0	0	110.6	Y22 H50 H54 L55 R56	Y22-Q52 PolarHBondContact OH-NE2 2.84Å; H50-Q52 PolarHBondContact O-N 3.33Å; Q52-H54 PolarHBondContact O-N 3.5Å; Q52-H54 VanDerWaalsContact O-N 3.09Å; Q52-H54 PolarHBondContact OE1-CE1 3.14Å; Q52-L55 HydrophobicContact CB-CD1 4.4Å; Q52-L55 PolarHBondContact O-N 3.13Å; Q52-R56 PolarHBondContact O-N 3.34Å; Q52-R56 VanDerWaalsContact O-N 3.11Å
53	E	68.9	Low	82.4	Confident	184 Å²	184	83.1 Å²	83.1	86%	0.86	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-32.4	-169.7	-163.8	171.9	-164.5	0	0	113.9
54	H	77.2	Confident	81.7	Confident	135 Å²	135	81.3 Å²	81.3	63%	0.625	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.1	-179.6	65.9	-80	0	0	0	114.6	Q52	Q52-H54 PolarHBondContact O-N 3.5Å; Q52-H54 VanDerWaalsContact O-N 3.09Å; Q52-H54 PolarHBondContact OE1-CE1 3.14Å
55	L	74.8	Confident	80.8	Confident	29 Å²	29	81.9 Å²	81.9	15%	0.152	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-9.8	-179.8	-53.4	174.6	0	0	0	111.9	L49 H50 Q52 N57 H58	L49-L55 HydrophobicContact CD1-CD1 4.32Å; L49-L55 HydrophobicContact CG-CD1 4.16Å; H50-L55 PolarHBondContact CD2-O 2.78Å; Q52-L55 HydrophobicContact CB-CD1 4.4Å; Q52-L55 PolarHBondContact O-N 3.13Å; L55-N57 PolarHBondContact O-N 3.22Å; L55-N57 VanDerWaalsContact O-N 3.11Å; L55-H58 WeakPolarHBondContact CD2-CE1 3.44Å; L55-H58 VanDerWaalsContact O-CG 3.26Å; L55-H58 PolarHBondContact O-N 3.27Å
56	R	79.4	Confident	80.1	Confident	162 Å²	162	85 Å²	85	61%	0.611	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.3	-173	-170.4	175.8	178.4	-178.2	0	114.2	H50 Q52	H50-R56 WeakPolarHBondContact O-CA 3.33Å; Q52-R56 PolarHBondContact O-N 3.34Å; Q52-R56 VanDerWaalsContact O-N 3.11Å
57	N	80.4	Confident	79.7	Confident	143 Å²	143	85.7 Å²	85.7	77%	0.765	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	13.6	-173.8	-61.5	-23.7	0	0	0	114.1	L55	L55-N57 PolarHBondContact O-N 3.22Å; L55-N57 VanDerWaalsContact O-N 3.11Å
58	H	82.6	Confident	79.6	Confident	43 Å²	43	81.8 Å²	81.8	20%	0.199	43%	0.43	C	S	.	.			trans	-69	138.3	176.3	-67.6	-173.6	0	0	0	111.9	C34 D36 C37 H50 L55 R60	C34-H58 WeakPolarHBondContact SG-CB 3.31Å; D36-H58 HydrophobicContact CB-CB 3.82Å; D36-H58 VanDerWaalsContact CB-CG 3.46Å; D36-H58 WeakPolarHBondContact OD2-CA 3.25Å; D36-H58 IonicContact OD2-CG 2.98Å; C37-H58 VanDerWaalsContact SG-CE1 3.51Å; C37-H58 PolarHBondContact SG-ND1 2.86Å; H50-H58 AromaticContact CD2-ND1 3.93Å; H50-H58 AromaticContact NE2-ND1 3.65Å; L55-H58 WeakPolarHBondContact CD2-CE1 3.44Å; L55-H58 VanDerWaalsContact O-CG 3.26Å; L55-H58 PolarHBondContact O-N 3.27Å; H58-R60 PolarHBondContact O-NH1 2.59Å
59	D	79.6	Confident	79.6	Confident	115 Å²	115	78.5 Å²	78.5	62%	0.615	41%	0.414	S	S	*	.			trans	-72.7	137.2	176.9	-78.2	-34.9	0	0	0	110.7	C34 D35 D36	C34-D59 WeakPolarHBondContact CA-O 3.44Å; D35-D59 HydrophobicContact CB-CB 4.46Å; D35-D59 PolarHBondContact N-O 2.84Å; D36-D59 PolarHBondContact OD2-N 3.36Å
60	R	85.7	Confident	79.8	Confident	69 Å²	69	80.1 Å²	80.1	26%	0.26	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.5	-176.6	-54.9	-165.9	-109.8	-68.5	13.3	111.6	C34 E46 H50 H58	C34-R60 HydrophobicContact CB-CG 4.17Å; E46-R60 VanDerWaalsContact CG-CD 3.47Å; E46-R60 IonicContact OE1-CZ 3.94Å; E46-R60 IonicContact OE1-NE 3.17Å; E46-R60 PolarHBondContact OE1-NE 2.72Å; E46-R60 IonicContact OE1-NH2 3.25Å; E46-R60 PolarHBondContact OE1-NH2 2.87Å; H50-R60 PolarHBondContact CD2-NH1 2.98Å; H50-R60 PolarHBondContact CE1-NH1 3.4Å; H50-R60 PolarHBondContact ND1-NE 3.25Å; H50-R60 PolarHBondContact ND1-NH1 3.09Å; H50-R60 VanDerWaalsContact ND1-NH1 3.2Å; H50-R60 PolarHBondContact NE2-NH1 2.88Å; H58-R60 PolarHBondContact O-NH1 2.59Å
61	V	85.3	Confident	79.9	Confident	55 Å²	55	79.8 Å²	79.8	33%	0.333	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.2	177.6	-176.1	0	0	0	0	109.2	F32 E33	F32-V61 CarbonylContact C-O 3.56Å; F32-V61 WeakPolarHBondContact CA-O 3.37Å; E33-V61 PolarHBondContact N-O 2.85Å; E33-V61 PolarHBondContact O-N 3.02Å
62	P	84.1	Confident	79.8	Confident	91 Å²	91	72.4 Å²	72.4	59%	0.591	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	136.6	173.8	-21.7	32.7	0	0	0	111.9	G64	P62-G64 PolarHBondContact O-N 3.47Å
63	V	82.4	Confident	79.8	Confident	31 Å²	31	72.5 Å²	72.5	19%	0.188	40%	0.395	C	S	.	.			trans	-88.6	107.1	177	176.4	0	0	0	0	108.8	L16 A31 E33 L40 H67	L16-V63 HydrophobicContact CB-CG1 4.44Å; L16-V63 HydrophobicContact CD1-CG1 3.72Å; A31-V63 PolarHBondContact O-N 2.77Å; E33-V63 HydrophobicContact CB-CG2 4.28Å; L40-V63 HydrophobicContact CD2-CG2 3.77Å; V63-H67 HydrophobicContact CG1-CB 3.98Å
64	G	73.3	Confident	80.3	Confident	38 Å²	38	65.6 Å²	65.6	39%	0.392	37%	0.367	S	S	.	.			trans	-109.8	177.8	177.6	0	0	0	0	0	114.1	P62 G66 H67	P62-G64 PolarHBondContact O-N 3.47Å; G64-G66 PolarHBondContact O-N 3.22Å; G64-H67 VanDerWaalsContact O-CB 3.24Å; G64-H67 WeakPolarHBondContact O-CB 3.28Å; G64-H67 PolarHBondContact O-N 3.49Å
65	P	69.1	Low	79.5	Confident	147 Å²	147	68.8 Å²	68.8	96%	0.955	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	123.5	172.8	-24.1	34	0	0	0	111.5
66	G	70.1	Confident	78.5	Confident	67 Å²	67	70.2 Å²	70.2	69%	0.691	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	4.7	-177.9	0	0	0	0	0	115.5	G64 V68	G64-G66 PolarHBondContact O-N 3.22Å; G66-V68 PolarHBondContact O-N 2.72Å
67	H	81.4	Confident	76.5	Confident	35 Å²	35	65.1 Å²	65.1	16%	0.162	40%	0.399	C	S	.	.			trans	-61	132.6	174.5	-168.7	80.5	0	0	0	111.9	L16 E33 V63 G64	L16-H67 HydrophobicContact CD1-CB 4.42Å; E33-H67 IonicContact OE2-CD2 3.94Å; E33-H67 IonicContact OE2-CE1 3.46Å; E33-H67 PolarHBondContact OE2-CE1 3.3Å; E33-H67 IonicContact OE2-NE2 2.78Å; E33-H67 PolarHBondContact OE2-NE2 3.43Å; V63-H67 HydrophobicContact CG1-CB 3.98Å; G64-H67 VanDerWaalsContact O-CB 3.24Å; G64-H67 WeakPolarHBondContact O-CB 3.28Å; G64-H67 PolarHBondContact O-N 3.49Å
68	V	84.6	Confident	74.7	Confident	28 Å²	28	66.7 Å²	66.7	17%	0.17	41%	0.407	C	S	.	.			trans	-110.7	112	179	-178.2	0	0	0	0	109.2	G66 R86 S87 Y120	G66-V68 PolarHBondContact O-N 2.72Å; V68-R86 HydrophobicContact CG1-CB 4.22Å; V68-R86 WeakPolarHBondContact O-CD 3.33Å; V68-R86 PolarHBondContact O-NH1 3.41Å; V68-S87 WeakPolarHBondContact CG1-O 3.3Å; V68-Y120 HydrophobicContact CG1-CD2 4.39Å; V68-Y120 HydrophobicContact CG1-CG 4.2Å
69	P	84.6	Confident	72.9	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.006	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-73.9	160.6	-176.9	31.1	-36.3	0	0	0	112.2	L16 E33 L40 S87 N97 Y120	L16-P69 HydrophobicContact CD1-CG 4.39Å; L16-P69 HydrophobicContact CD2-CG 3.87Å; E33-P69 WeakPolarHBondContact OE1-CA 3.26Å; L40-P69 HydrophobicContact CD1-CB 3.95Å; L40-P69 HydrophobicContact CD2-CB 4.47Å; L40-P69 HydrophobicContact CG-CB 4.42Å; P69-S87 VanDerWaalsContact O-CB 3.26Å; P69-S87 WeakPolarHBondContact O-CB 3.45Å; P69-S87 PolarHBondContact O-N 3.18Å; P69-S87 PolarHBondContact O-OG 2.9Å; P69-S87 VanDerWaalsContact O-OG 3.09Å; P69-N97 HydrophobicContact CG-CB 3.92Å; P69-N97 VanDerWaalsContact CG-CG 3.43Å; P69-N97 WeakPolarHBondContact CG-ND2 3.47Å; P69-Y120 HydrophobicContact CG-CE2 4.26Å
70	Y	86.3	Confident	71	Confident	53 Å²	53	70.2 Å²	70.2	21%	0.208	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-64.1	158.7	171.1	-69	-72.5	0	0	0	112.8	E33 D35 D72 R84 R86 S87	E33-Y70 HydrophobicContact CG-CD2 4.49Å; E33-Y70 WeakPolarHBondContact OE1-CD2 3.43Å; E33-Y70 PolarHBondContact OE1-N 3.05Å; D35-Y70 WeakPolarHBondContact OD1-CE2 3.29Å; D35-Y70 PolarHBondContact OD1-OH 3.19Å; Y70-D72 PolarHBondContact O-N 2.91Å; Y70-R84 HydrophobicContact CD1-CB 4.11Å; Y70-R84 HydrophobicContact CD1-CG 4.47Å; Y70-R84 WeakPolarHBondContact CD1-O 3.47Å; Y70-R86 PolarHBondContact OH-NH2 2.7Å; Y70-R86 VanDerWaalsContact OH-NH2 3.15Å; Y70-S87 PolarHBondContact O-OG 3.02Å
71	C	85.3	Confident	69.3	Low	0 Å²	0	70.5 Å²	70.5	0%	0	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-70.7	120.1	176.2	175.1	0	0	0	0	111.6	N73 C74 R84 L85 S87 N97 C99 C102	C71-N73 VanDerWaalsContact C-N 3.25Å; C71-N73 PolarHBondContact O-N 3.24Å; C71-C74 HydrophobicContact CB-CB 4.3Å; C71-C74 PolarHBondContact O-N 3.44Å; C71-R84 VanDerWaalsContact O-CZ 3.23Å; C71-R84 PolarHBondContact O-NE 2.94Å; C71-R84 PolarHBondContact O-NH2 3.39Å; C71-L85 VanDerWaalsContact CB-O 3.28Å; C71-L85 WeakPolarHBondContact CB-O 3.17Å; C71-L85 PolarHBondContact N-O 2.91Å; C71-S87 VanDerWaalsContact CA-OG 3.25Å; C71-S87 WeakPolarHBondContact CA-OG 3.2Å; C71-S87 PolarHBondContact N-OG 3.42Å; C71-N97 WeakPolarHBondContact CA-O 3.41Å; C71-C99 HydrophobicContact CB-CB 3.75Å; C71-C99 PolarHBondContact SG-N 3.09Å; C71-C99 VanDerWaalsContact SG-SG 3.67Å; C71-C102 VanDerWaalsContact SG-SG 3.65Å
72	D	81.9	Confident	67.5	Low	31 Å²	31	72 Å²	72	17%	0.166	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.3	-176.7	-67	-33.1	0	0	0	111.9	Q19 Y70 R84 L96 N97	Q19-D72 PolarHBondContact NE2-OD1 3.48Å; Y70-D72 PolarHBondContact O-N 2.91Å; D72-R84 VanDerWaalsContact CA-NH2 3.28Å; D72-R84 PolarHBondContact O-NH2 3.27Å; D72-R84 VanDerWaalsContact O-NH2 3.09Å; D72-L96 HydrophobicContact CB-CD2 4.1Å; D72-L96 WeakPolarHBondContact OD2-CA 3.45Å; D72-N97 PolarHBondContact N-O 3.49Å; D72-N97 PolarHBondContact OD2-N 3.35Å
73	N	78.8	Confident	66.4	Low	66 Å²	66	76.9 Å²	76.9	35%	0.353	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	10.1	-168.6	-75.7	-10.3	0	0	0	115.5	C71 K75 L98 C102	C71-N73 VanDerWaalsContact C-N 3.25Å; C71-N73 PolarHBondContact O-N 3.24Å; N73-K75 PolarHBondContact O-N 2.74Å; N73-L98 HydrophobicContact CB-CD2 4Å; N73-C102 HydrophobicContact CB-CB 4.39Å
74	C	79.7	Confident	65.7	Low	39 Å²	39	78.5 Å²	78.5	26%	0.264	50%	0.497	S	S	.	.			trans	-70.3	93.3	173.5	-86.3	0	0	0	0	110	C71 R84	C71-C74 HydrophobicContact CB-CB 4.3Å; C71-C74 PolarHBondContact O-N 3.44Å; C74-R84 HydrophobicContact CB-CG 3.82Å
75	K	60.5	Low	66	Low	201 Å²	201	81.1 Å²	81.1	87%	0.874	50%	0.501	S	S	*	.			trans	-79.7	115.6	167.7	-66	-170	176.7	-172.2	0	108.6	N73 G77	N73-K75 PolarHBondContact O-N 2.74Å; K75-G77 PolarHBondContact O-N 2.82Å
76	G	53.3	Low	66.8	Low	60 Å²	60	78.5 Å²	78.5	62%	0.619	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55.7	125.1	172.6	0	0	0	0	0	109.7
77	G	37.7	Very low	67.6	Low	55 Å²	55	75.5 Å²	75.5	57%	0.567	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-72.4	147.9	174.3	0	0	0	0	0	110.6	K75 G79	K75-G77 PolarHBondContact O-N 2.82Å; G77-G79 PolarHBondContact O-N 3.47Å
78	N	41.6	Very low	67.8	Low	176 Å²	176	76.6 Å²	76.6	94%	0.941	45%	0.449	S	S	*	.	S	Bend	trans	-55	121.2	172.3	-87.5	-10.4	0	0	0	110.5
79	G	45.5	Very low	67.8	Low	72 Å²	72	75.4 Å²	75.4	74%	0.742	44%	0.443	S	S	*	.	S	Bend	trans	85.9	110.7	170.6	0	0	0	0	0	113.2	G77	G77-G79 PolarHBondContact O-N 3.47Å
80	D	38.9	Very low	67.9	Low	159 Å²	159	76.1 Å²	76.1	85%	0.85	45%	0.445	S	S	*	.	S	Bend	trans	88	130.6	174.7	-141.4	6.4	0	0	0	117	S82	D80-S82 PolarHBondContact O-N 2.78Å
81	G	50	Low	67.7	Low	76 Å²	76	73.6 Å²	73.6	78%	0.784	44%	0.435	S	S	*	.			trans	-70.2	84.4	-160	0	0	0	0	0	115.2	K83	G81-K83 PolarHBondContact O-N 3.27Å
82	S	49.1	Very low	67.4	Low	86 Å²	86	75.5 Å²	75.5	60%	0.601	44%	0.444	S	S	*	.			trans	-84.4	107.6	172.2	55.8	0	0	0	0	112.2	D80	D80-S82 PolarHBondContact O-N 2.78Å
83	K	59.7	Low	67.4	Low	194 Å²	194	78.5 Å²	78.5	84%	0.843	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-56.5	136.4	169.7	-71.8	178.7	177.1	179.8	0	110.5	G81 L85	G81-K83 PolarHBondContact O-N 3.27Å; K83-L85 PolarHBondContact O-N 2.76Å
84	R	68.4	Low	67.4	Low	65 Å²	65	77.8 Å²	77.8	25%	0.245	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-58.3	126.2	173.6	-154.4	177.1	-176.4	-164.7	12.2	108.5	K38 Y70 C71 D72 C74	K38-R84 PolarHBondContact O-NH1 3.29Å; Y70-R84 HydrophobicContact CD1-CB 4.11Å; Y70-R84 HydrophobicContact CD1-CG 4.47Å; Y70-R84 WeakPolarHBondContact CD1-O 3.47Å; C71-R84 VanDerWaalsContact O-CZ 3.23Å; C71-R84 PolarHBondContact O-NE 2.94Å; C71-R84 PolarHBondContact O-NH2 3.39Å; D72-R84 VanDerWaalsContact CA-NH2 3.28Å; D72-R84 PolarHBondContact O-NH2 3.27Å; D72-R84 VanDerWaalsContact O-NH2 3.09Å; C74-R84 HydrophobicContact CB-CG 3.82Å
85	L	80.1	Confident	67.3	Low	92 Å²	92	81.6 Å²	81.6	48%	0.482	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-78	146.2	-179.7	-66	174.6	0	0	0	110.5	C71 K83 C99	C71-L85 VanDerWaalsContact CB-O 3.28Å; C71-L85 WeakPolarHBondContact CB-O 3.17Å; C71-L85 PolarHBondContact N-O 2.91Å; K83-L85 PolarHBondContact O-N 2.76Å; L85-C99 HydrophobicContact CB-CB 3.78Å; L85-C99 HydrophobicContact CD1-CB 4.36Å
86	R	84.9	Confident	68.3	Low	93 Å²	93	74.5 Å²	74.5	35%	0.351	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-63	146.1	169	-70.7	-75.3	177.8	-161.4	-3.9	109.9	E33 V68 Y70	E33-R86 IonicContact OE1-NH1 3.49Å; E33-R86 PolarHBondContact OE1-NH1 2.84Å; E33-R86 IonicContact OE2-CZ 3.69Å; E33-R86 IonicContact OE2-NH1 2.71Å; E33-R86 PolarHBondContact OE2-NH1 2.85Å; E33-R86 IonicContact OE2-NH2 2.93Å; V68-R86 HydrophobicContact CG1-CB 4.22Å; V68-R86 WeakPolarHBondContact O-CD 3.33Å; V68-R86 PolarHBondContact O-NH1 3.41Å; Y70-R86 PolarHBondContact OH-NH2 2.7Å; Y70-R86 VanDerWaalsContact OH-NH2 3.15Å
87	S	86.4	Confident	69.9	Low	4 Å²	4	71.6 Å²	71.6	3%	0.028	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-71.9	144	179.2	-64.2	0	0	0	0	111.1	V68 P69 Y70 C71 N97 L98	V68-S87 WeakPolarHBondContact CG1-O 3.3Å; P69-S87 VanDerWaalsContact O-CB 3.26Å; P69-S87 WeakPolarHBondContact O-CB 3.45Å; P69-S87 PolarHBondContact O-N 3.18Å; P69-S87 PolarHBondContact O-OG 2.9Å; P69-S87 VanDerWaalsContact O-OG 3.09Å; Y70-S87 PolarHBondContact O-OG 3.02Å; C71-S87 VanDerWaalsContact CA-OG 3.25Å; C71-S87 WeakPolarHBondContact CA-OG 3.2Å; C71-S87 PolarHBondContact N-OG 3.42Å; S87-N97 VanDerWaalsContact OG-C 3.27Å; S87-N97 WeakPolarHBondContact OG-CB 3.27Å; S87-L98 WeakPolarHBondContact CA-O 3.43Å; S87-L98 PolarHBondContact OG-N 3.37Å
88	V	85.9	Confident	72.1	Confident	57 Å²	57	69 Å²	69	35%	0.345	39%	0.387	S	S	.	.	S	Bend	trans	-108.2	-21.4	173.9	-61.4	0	0	0	0	111.4	L98 Q100 S119 Y120	V88-L98 PolarHBondContact N-O 2.65Å; V88-Q100 HydrophobicContact CG2-CB 3.98Å; V88-Q100 VanDerWaalsContact CG2-N 3.34Å; V88-S119 WeakPolarHBondContact O-CA 3.42Å; V88-Y120 PolarHBondContact O-N 2.95Å
89	V	84.3	Confident	74.3	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.024	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.6	175.7	-63.3	0	0	0	0	111.9	L98 Q103 L117 I118	V89-L98 HydrophobicContact CG2-CB 4.09Å; V89-L98 PolarHBondContact N-O 2.82Å; V89-L98 VanDerWaalsContact N-O 3.14Å; V89-L98 PolarHBondContact O-N 2.57Å; V89-Q103 HydrophobicContact CG2-CB 3.9Å; V89-Q103 VanDerWaalsContact CG2-CD 3.49Å; V89-Q103 HydrophobicContact CG2-CG 3.74Å; V89-Q103 VanDerWaalsContact CG2-OE1 3.29Å; V89-L117 HydrophobicContact CB-CB 4.48Å; V89-I118 CarbonylContact C-O 3.45Å; V89-I118 WeakPolarHBondContact CA-O 3.17Å
90	R	86.6	Confident	76.1	Confident	15 Å²	15	62.8 Å²	62.8	6%	0.057	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.9	163.7	-174.5	171	179.8	76.4	-5.6	109.6	K95 L96 N97 L117 I118 Y120	R90-K95 PolarHBondContact NH1-O 3.46Å; R90-L96 WeakPolarHBondContact CA-O 3.44Å; R90-N97 PolarHBondContact NH1-ND2 2.6Å; R90-N97 PolarHBondContact NH1-OD1 2.85Å; R90-L117 WeakPolarHBondContact O-CA 3.3Å; R90-I118 PolarHBondContact N-O 2.77Å; R90-I118 PolarHBondContact O-N 3.26Å; R90-Y120 HydrophobicContact CB-CE2 3.87Å; R90-Y120 WeakPolarHBondContact CD-OH 3.48Å
91	C	82.9	Confident	78.2	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116.7	172.6	179.9	0	0	0	0	109.8	N93 C94 K95 L96 H107 L117	C91-N93 VanDerWaalsContact C-N 3.32Å; C91-N93 PolarHBondContact O-N 2.88Å; C91-C94 HydrophobicContact CB-CB 4.09Å; C91-C94 PolarHBondContact SG-N 2.92Å; C91-K95 WeakPolarHBondContact O-CA 3.31Å; C91-K95 PolarHBondContact O-N 2.85Å; C91-L96 PolarHBondContact N-O 3.39Å; C91-L96 PolarHBondContact O-N 2.76Å; C91-H107 PolarHBondContact SG-NE2 2.95Å; C91-L117 HydrophobicContact CB-CD2 3.57Å
92	Q	79.6	Confident	79.8	Confident	40 Å²	40	55.6 Å²	55.6	19%	0.187	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-27.2	-178.5	-72.4	-60.9	-26.1	0	0	113.3	K95 Q116 I118	Q92-K95 VanDerWaalsContact O-CD 3.28Å; Q92-K95 WeakPolarHBondContact O-CD 3.45Å; Q92-K95 WeakPolarHBondContact O-CE 3.5Å; Q92-K95 PolarHBondContact O-NZ 3.01Å; Q92-K95 VanDerWaalsContact OE1-NZ 3.07Å; Q92-Q116 HydrophobicContact CB-CB 4.26Å; Q92-Q116 PolarHBondContact N-O 3.1Å; Q92-I118 HydrophobicContact CG-CD1 3.68Å; Q92-I118 HydrophobicContact CG-CG1 3.92Å
93	N	81.4	Confident	81.5	Confident	95 Å²	95	53.8 Å²	53.8	51%	0.508	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-45.5	177.1	-64.9	78.2	0	0	0	111.6	C91 H115 Q116	C91-N93 VanDerWaalsContact C-N 3.32Å; C91-N93 PolarHBondContact O-N 2.88Å; N93-H115 HydrophobicContact CB-CB 4.05Å; N93-H115 WeakPolarHBondContact OD1-CA 3.35Å; N93-Q116 PolarHBondContact OD1-N 2.83Å
94	C	78.3	Confident	82.5	Confident	51 Å²	51	49.8 Å²	49.8	35%	0.345	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.6	-180	-62.8	0	0	0	0	113.4	C91 L96 H115	C91-C94 HydrophobicContact CB-CB 4.09Å; C91-C94 PolarHBondContact SG-N 2.92Å; C94-L96 HydrophobicContact CB-CB 4.3Å; C94-L96 HydrophobicContact CB-CD1 4.09Å; C94-L96 HydrophobicContact CB-CG 3.99Å; C94-L96 PolarHBondContact O-N 2.92Å; C94-H115 PolarHBondContact SG-CE1 2.86Å; C94-H115 PolarHBondContact SG-ND1 3.39Å
95	K	78.4	Confident	83	Confident	118 Å²	118	55.5 Å²	55.5	51%	0.513	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	26.1	-171.7	-55.4	-62.8	-178.7	-174	0	114.1	R90 C91 Q92	R90-K95 PolarHBondContact NH1-O 3.46Å; C91-K95 WeakPolarHBondContact O-CA 3.31Å; C91-K95 PolarHBondContact O-N 2.85Å; Q92-K95 VanDerWaalsContact O-CD 3.28Å; Q92-K95 WeakPolarHBondContact O-CD 3.45Å; Q92-K95 WeakPolarHBondContact O-CE 3.5Å; Q92-K95 PolarHBondContact O-NZ 3.01Å; Q92-K95 VanDerWaalsContact OE1-NZ 3.07Å
96	L	81.4	Confident	82.6	Confident	52 Å²	52	54.4 Å²	54.4	27%	0.272	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.3	-179.9	-61.8	177.4	0	0	0	112.2	D72 R90 C91 C94 L98	D72-L96 HydrophobicContact CB-CD2 4.1Å; D72-L96 WeakPolarHBondContact OD2-CA 3.45Å; R90-L96 WeakPolarHBondContact CA-O 3.44Å; C91-L96 PolarHBondContact N-O 3.39Å; C91-L96 PolarHBondContact O-N 2.76Å; C94-L96 HydrophobicContact CB-CB 4.3Å; C94-L96 HydrophobicContact CB-CD1 4.09Å; C94-L96 HydrophobicContact CB-CG 3.99Å; C94-L96 PolarHBondContact O-N 2.92Å; L96-L98 HydrophobicContact CB-CD2 4.29Å; L96-L98 HydrophobicContact CB-CG 4.37Å
97	N	86.3	Confident	82.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.1	169	-55.1	-54.3	0	0	0	109.3	P69 C71 D72 S87 R90 Y120	P69-N97 HydrophobicContact CG-CB 3.92Å; P69-N97 VanDerWaalsContact CG-CG 3.43Å; P69-N97 WeakPolarHBondContact CG-ND2 3.47Å; C71-N97 WeakPolarHBondContact CA-O 3.41Å; D72-N97 PolarHBondContact N-O 3.49Å; D72-N97 PolarHBondContact OD2-N 3.35Å; S87-N97 VanDerWaalsContact OG-C 3.27Å; S87-N97 WeakPolarHBondContact OG-CB 3.27Å; R90-N97 PolarHBondContact NH1-ND2 2.6Å; R90-N97 PolarHBondContact NH1-OD1 2.85Å; N97-Y120 PolarHBondContact OD1-OH 2.89Å
98	L	84.7	Confident	81	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.9	-171.3	-58.7	170.8	0	0	0	111.3	N73 S87 V88 V89 L96 C102 Q103	N73-L98 HydrophobicContact CB-CD2 4Å; S87-L98 WeakPolarHBondContact CA-O 3.43Å; S87-L98 PolarHBondContact OG-N 3.37Å; V88-L98 PolarHBondContact N-O 2.65Å; V89-L98 HydrophobicContact CG2-CB 4.09Å; V89-L98 PolarHBondContact N-O 2.82Å; V89-L98 VanDerWaalsContact N-O 3.14Å; V89-L98 PolarHBondContact O-N 2.57Å; L96-L98 HydrophobicContact CB-CD2 4.29Å; L96-L98 HydrophobicContact CB-CG 4.37Å; L98-C102 HydrophobicContact CB-CB 4.44Å; L98-C102 HydrophobicContact CD2-CB 4.1Å; L98-Q103 HydrophobicContact CB-CB 4.24Å
99	C	88	Confident	79.6	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	29%	0.29	C	S	.	.			trans	-70.9	168.9	163.6	73.8	0	0	0	0	110.4	C71 L85 D101 C102 Q103	C71-C99 HydrophobicContact CB-CB 3.75Å; C71-C99 PolarHBondContact SG-N 3.09Å; C71-C99 VanDerWaalsContact SG-SG 3.67Å; L85-C99 HydrophobicContact CB-CB 3.78Å; L85-C99 HydrophobicContact CD1-CB 4.36Å; C99-D101 VanDerWaalsContact C-N 3.27Å; C99-D101 PolarHBondContact O-N 3.25Å; C99-C102 PolarHBondContact O-N 2.76Å; C99-C102 PolarHBondContact SG-N 2.77Å; C99-C102 VanDerWaalsContact SG-SG 3.66Å; C99-Q103 WeakPolarHBondContact O-CB 3.44Å; C99-Q103 PolarHBondContact O-N 2.93Å
100	Q	83.3	Confident	78	Confident	115 Å²	115	62.3 Å²	62.3	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-58.1	-38.9	-173.9	-163.1	173.4	25.1	0	0	112.7	V88 K104	V88-Q100 HydrophobicContact CG2-CB 3.98Å; V88-Q100 VanDerWaalsContact CG2-N 3.34Å; Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 3.29Å
101	D	82.9	Confident	76.4	Confident	81 Å²	81	67 Å²	67	43%	0.433	37%	0.37	S	S	.	.	H	α-helix	trans	-76.4	-38.4	-178.7	-60.8	-31.7	0	0	0	112.7	C99 K104 R105	C99-D101 VanDerWaalsContact C-N 3.27Å; C99-D101 PolarHBondContact O-N 3.25Å; D101-K104 PolarHBondContact O-N 3.46Å; D101-R105 WeakPolarHBondContact O-CB 3.29Å; D101-R105 WeakPolarHBondContact O-CG 3.35Å; D101-R105 PolarHBondContact O-N 3.06Å; D101-R105 PolarHBondContact O-NE 2.95Å
102	C	83.4	Confident	74.9	Confident	3 Å²	3	75.9 Å²	75.9	2%	0.02	41%	0.409	C	S	.	.	H	α-helix	trans	-69	-38.1	175.3	-72.4	0	0	0	0	110.8	C71 N73 L98 C99 R105 T106	C71-C102 VanDerWaalsContact SG-SG 3.65Å; N73-C102 HydrophobicContact CB-CB 4.39Å; L98-C102 HydrophobicContact CB-CB 4.44Å; L98-C102 HydrophobicContact CD2-CB 4.1Å; C99-C102 PolarHBondContact O-N 2.76Å; C99-C102 PolarHBondContact SG-N 2.77Å; C99-C102 VanDerWaalsContact SG-SG 3.66Å; C102-R105 PolarHBondContact O-N 3.23Å; C102-R105 PolarHBondContact SG-NH2 3.47Å; C102-R105 VanDerWaalsContact SG-NH2 3.43Å; C102-T106 WeakPolarHBondContact O-CB 3.21Å; C102-T106 PolarHBondContact O-N 3.45Å; C102-T106 PolarHBondContact O-OG1 3.36Å
103	Q	85.4	Confident	73.7	Confident	49 Å²	49	83 Å²	83	23%	0.229	44%	0.439	C	S	.	.	H	α-helix	trans	-58	-50.6	171	178.5	-167.8	-9.5	0	0	110.9	V89 L98 C99 R105 T106 H107 L117	V89-Q103 HydrophobicContact CG2-CB 3.9Å; V89-Q103 VanDerWaalsContact CG2-CD 3.49Å; V89-Q103 HydrophobicContact CG2-CG 3.74Å; V89-Q103 VanDerWaalsContact CG2-OE1 3.29Å; L98-Q103 HydrophobicContact CB-CB 4.24Å; C99-Q103 WeakPolarHBondContact O-CB 3.44Å; C99-Q103 PolarHBondContact O-N 2.93Å; Q103-R105 PolarHBondContact O-N 3.26Å; Q103-T106 PolarHBondContact O-N 3.08Å; Q103-H107 WeakPolarHBondContact O-CA 3.34Å; Q103-H107 WeakPolarHBondContact O-CB 3.33Å; Q103-H107 PolarHBondContact O-N 3.41Å; Q103-L117 HydrophobicContact CG-CD1 4.03Å
104	K	80.4	Confident	72.9	Confident	110 Å²	110	88.6 Å²	88.6	48%	0.478	46%	0.459	S	S	.	.	H	α-helix	trans	-58.2	-52.3	178.2	-73.5	173.2	-177.3	174.3	0	111.1	Q100 D101 T106 S108	Q100-K104 WeakPolarHBondContact O-CG 3.38Å; Q100-K104 PolarHBondContact O-N 3.29Å; D101-K104 PolarHBondContact O-N 3.46Å; K104-T106 VanDerWaalsContact C-N 3.27Å; K104-T106 PolarHBondContact O-N 3.22Å; K104-T106 VanDerWaalsContact O-N 3.16Å; K104-S108 WeakPolarHBondContact CA-OG 3.42Å; K104-S108 WeakPolarHBondContact O-CB 3.46Å; K104-S108 PolarHBondContact O-N 3.48Å; K104-S108 PolarHBondContact O-OG 2.95Å
105	R	78.6	Confident	72.9	Confident	184 Å²	184	89.5 Å²	89.5	69%	0.694	46%	0.458	S	S	*	.	H	α-helix	trans	-58	-35.1	-179.4	-76.9	-174.9	-75.8	175.3	-6.4	114.5	D101 C102 Q103	D101-R105 WeakPolarHBondContact O-CB 3.29Å; D101-R105 WeakPolarHBondContact O-CG 3.35Å; D101-R105 PolarHBondContact O-N 3.06Å; D101-R105 PolarHBondContact O-NE 2.95Å; C102-R105 PolarHBondContact O-N 3.23Å; C102-R105 PolarHBondContact SG-NH2 3.47Å; C102-R105 VanDerWaalsContact SG-NH2 3.43Å; Q103-R105 PolarHBondContact O-N 3.26Å
106	T	71.4	Confident	73	Confident	69 Å²	69	90.1 Å²	90.1	42%	0.423	46%	0.463	S	S	.	.	H	α-helix	trans	-102.3	-23.8	-172.6	54.8	0	0	0	0	114.1	C102 Q103 K104	C102-T106 WeakPolarHBondContact O-CB 3.21Å; C102-T106 PolarHBondContact O-N 3.45Å; C102-T106 PolarHBondContact O-OG1 3.36Å; Q103-T106 PolarHBondContact O-N 3.08Å; K104-T106 VanDerWaalsContact C-N 3.27Å; K104-T106 PolarHBondContact O-N 3.22Å; K104-T106 VanDerWaalsContact O-N 3.16Å
107	H	74.1	Confident	73	Confident	49 Å²	49	90.4 Å²	90.4	23%	0.227	46%	0.464	C	S	.	.	H	α-helix	trans	-132.5	2.5	-168.9	-66.1	75.3	0	0	0	114.8	C91 Q103 H115 L117	C91-H107 PolarHBondContact SG-NE2 2.95Å; Q103-H107 WeakPolarHBondContact O-CA 3.34Å; Q103-H107 WeakPolarHBondContact O-CB 3.33Å; Q103-H107 PolarHBondContact O-N 3.41Å; H107-H115 AromaticContact CD2-CG 3.98Å; H107-H115 AromaticContact CD2-ND1 3.5Å; H107-H115 PolarHBondContact CD2-ND1 3.11Å; H107-H115 AromaticContact NE2-ND1 3.14Å; H107-H115 PolarHBondContact NE2-ND1 3.13Å; H107-H115 VanDerWaalsContact NE2-ND1 3.14Å; H107-L117 HydrophobicContact CB-CD1 4.49Å
108	S	63.7	Low	72.9	Confident	82 Å²	82	92.2 Å²	92.2	57%	0.573	47%	0.474	S	S	*	.			trans	-99.9	14.2	177.5	78.2	0	0	0	0	115.7	K104	K104-S108 WeakPolarHBondContact CA-OG 3.42Å; K104-S108 WeakPolarHBondContact O-CB 3.46Å; K104-S108 PolarHBondContact O-N 3.48Å; K104-S108 PolarHBondContact O-OG 2.95Å
109	G	56.3	Low	72.6	Confident	54 Å²	54	96.7 Å²	96.7	56%	0.557	51%	0.505	S	S	*	.			trans	-90.8	132.9	179.4	0	0	0	0	0	113.5	S111	G109-S111 PolarHBondContact O-N 2.75Å
110	S	51.3	Low	72.3	Confident	139 Å²	139	97.8 Å²	97.8	97%	0.972	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	8.2	-169.6	-25.7	0	0	0	0	117.4
111	S	51.8	Low	71.6	Confident	114 Å²	114	96.5 Å²	96.5	80%	0.797	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	18	-168	-177.3	0	0	0	0	115.4	G109	G109-S111 PolarHBondContact O-N 2.75Å
112	K	52	Low	70.2	Confident	187 Å²	187	98.1 Å²	98.1	81%	0.813	53%	0.525	S	S	*	.	S	Bend	trans	-125.5	142.1	177.6	-65.5	-176.2	-179.9	179.5	0	110.6	K114	K112-K114 PolarHBondContact O-N 2.93Å
113	K	55.6	Low	68.5	Low	189 Å²	189	103.4 Å²	103.4	82%	0.822	56%	0.56	S	S	*	*			trans	-36	126.6	-178.3	-75.1	178.5	175	177.5	0	110.7	H115	K113-H115 PolarHBondContact O-CD2 2.77Å; K113-H115 PolarHBondContact O-N 2.85Å
114	K	64.1	Low	66.3	Low	213 Å²	213	107 Å²	107	93%	0.926	59%	0.587	S	S	*	*			trans	-59.2	98.9	-179.9	-76.3	-176.6	178.3	178.9	0	109.8	K112	K112-K114 PolarHBondContact O-N 2.93Å
115	H	77.4	Confident	64.1	Low	69 Å²	69	111.4 Å²	111.4	32%	0.319	61%	0.606	S	S	.	*			trans	-73.2	140.1	172.1	-69	-176.6	0	0	0	109.7	N93 C94 H107 K113 L117	N93-H115 HydrophobicContact CB-CB 4.05Å; N93-H115 WeakPolarHBondContact OD1-CA 3.35Å; C94-H115 PolarHBondContact SG-CE1 2.86Å; C94-H115 PolarHBondContact SG-ND1 3.39Å; H107-H115 AromaticContact CD2-CG 3.98Å; H107-H115 AromaticContact CD2-ND1 3.5Å; H107-H115 PolarHBondContact CD2-ND1 3.11Å; H107-H115 AromaticContact NE2-ND1 3.14Å; H107-H115 PolarHBondContact NE2-ND1 3.13Å; H107-H115 VanDerWaalsContact NE2-ND1 3.14Å; K113-H115 PolarHBondContact O-CD2 2.77Å; K113-H115 PolarHBondContact O-N 2.85Å; H115-L117 PolarHBondContact O-N 2.66Å
116	Q	80.4	Confident	62	Low	131 Å²	131	112.4 Å²	112.4	61%	0.612	62%	0.619	S	S	*	*			trans	-77	117.5	176.5	-173.8	178.7	21.5	0	0	109.4	Q92 N93	Q92-Q116 HydrophobicContact CB-CB 4.26Å; Q92-Q116 PolarHBondContact N-O 3.1Å; N93-Q116 PolarHBondContact OD1-N 2.83Å
117	L	82.9	Confident	60	Low	58 Å²	58	113.8 Å²	113.8	30%	0.304	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	134.9	177.4	-59.1	180	0	0	0	109.6	V89 R90 C91 Q103 H107 H115	V89-L117 HydrophobicContact CB-CB 4.48Å; R90-L117 WeakPolarHBondContact O-CA 3.3Å; C91-L117 HydrophobicContact CB-CD2 3.57Å; Q103-L117 HydrophobicContact CG-CD1 4.03Å; H107-L117 HydrophobicContact CB-CD1 4.49Å; H115-L117 PolarHBondContact O-N 2.66Å
118	I	82.3	Confident	57.9	Low	39 Å²	39	120.8 Å²	120.8	20%	0.2	67%	0.67	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	124.7	173.9	-55.5	-174	0	0	0	108	V12 V89 R90 Q92	V12-I118 HydrophobicContact CG1-CD1 3.8Å; V89-I118 CarbonylContact C-O 3.45Å; V89-I118 WeakPolarHBondContact CA-O 3.17Å; R90-I118 PolarHBondContact N-O 2.77Å; R90-I118 PolarHBondContact O-N 3.26Å; Q92-I118 HydrophobicContact CG-CD1 3.68Å; Q92-I118 HydrophobicContact CG-CG1 3.92Å
119	S	79.8	Confident	56.6	Low	93 Å²	93	123.2 Å²	123.2	65%	0.65	68%	0.681	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.5	135.5	178.2	-64.3	0	0	0	0	111.6	V88	V88-S119 WeakPolarHBondContact O-CA 3.42Å
120	Y	81.2	Confident	55.1	Low	26 Å²	26	128.2 Å²	128.2	10%	0.102	70%	0.695	C	S	.	*	P	Polyproline II helix	trans	-78.1	143.9	164.6	-69.4	-70.2	0	0	0	109.4	L16 V68 P69 V88 R90 N97	L16-Y120 WeakPolarHBondContact CD2-OH 3.34Å; V68-Y120 HydrophobicContact CG1-CD2 4.39Å; V68-Y120 HydrophobicContact CG1-CG 4.2Å; P69-Y120 HydrophobicContact CG-CE2 4.26Å; V88-Y120 PolarHBondContact O-N 2.95Å; R90-Y120 HydrophobicContact CB-CE2 3.87Å; R90-Y120 WeakPolarHBondContact CD-OH 3.48Å; N97-Y120 PolarHBondContact OD1-OH 2.89Å
121	P	68.6	Low	54.4	Low	88 Å²	88	128.1 Å²	128.1	57%	0.571	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-60.6	143.5	174.7	-1.7	8.6	0	0	0	110.6
122	P	53.3	Low	53.1	Low	114 Å²	114	127.2 Å²	127.2	74%	0.74	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-65.3	142.7	178.3	26.3	-32.7	0	0	0	111
123	P	47.1	Very low	52.4	Low	114 Å²	114	128.2 Å²	128.2	74%	0.74	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-64.5	138.5	176.5	25.3	-31.9	0	0	0	110.5
124	P	40.9	Very low	50.9	Low	124 Å²	124	125.3 Å²	125.3	81%	0.805	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-65	139.4	176.9	24.2	-30.1	0	0	0	110.9
125	K	33.7	Very low	49.6	Very low	203 Å²	203	120.6 Å²	120.6	88%	0.883	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-64.6	132.8	175.9	-74.6	-179	176.3	179.7	0	109.8	A127	K125-A127 PolarHBondContact O-N 3.32Å
126	Q	34.2	Very low	47.2	Very low	205 Å²	205	123.8 Å²	123.8	96%	0.958	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-58.2	124.5	175.9	-72.2	177.3	-19.3	0	0	110.4
127	A	30.3	Very low	44.7	Very low	99 Å²	99	126.6 Å²	126.6	82%	0.818	72%	0.722	S	S	*	*			trans	-124	147.3	170.3	0	0	0	0	0	109.6	K125	K125-A127 PolarHBondContact O-N 3.32Å
128	E	28.7	Very low	42	Very low	196 Å²	196	131.6 Å²	131.6	92%	0.916	75%	0.749	S	S	*	*			trans	-58.8	157.4	-168.8	-64.7	167.9	149.5	0	0	115.1
129	V	37.3	Very low	39.6	Very low	132 Å²	132	134.4 Å²	134.4	80%	0.8	78%	0.779	S	S	*	*			trans	-48.7	131.3	176.2	178.3	0	0	0	0	112.1
130	N	25.3	Very low	37.5	Very low	159 Å²	159	137 Å²	137	85%	0.85	79%	0.785	S	S	*	*			trans	-157.4	135.4	142.5	-97.9	-32	0	0	0	113.1
131	T	35.4	Very low	35.3	Very low	137 Å²	137	140.8 Å²	140.8	84%	0.84	81%	0.81	S	S	*	*			trans	-63.2	128.9	178.3	-0.5	0	0	0	0	112.9
132	A	25.4	Very low	34.2	Very low	95 Å²	95	141.4 Å²	141.4	79%	0.785	82%	0.815	S	S	*	*			trans	-156.3	119.3	151.2	0	0	0	0	0	111.1
133	K	37.5	Very low	33.8	Very low	208 Å²	208	143.4 Å²	143.4	90%	0.904	81%	0.814	S	S	*	*			trans	-61.4	128.1	170.6	-70.9	171.4	173	176	0	109.9
134	T	23.6	Very low	34.2	Very low	128 Å²	128	141.4 Å²	141.4	79%	0.785	80%	0.803	S	S	*	*			trans	-146.3	120.8	148.2	-23.3	0	0	0	0	110.2
135	S	37.1	Very low	35.3	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	77%	0.773	S	S	*	*			trans	-60	127.7	173.3	47.2	0	0	0	0	112.2
136	V	27	Very low	37.3	Very low	136 Å²	136	133.3 Å²	133.3	82%	0.824	76%	0.76	S	S	*	*			trans	-137.6	135	157.2	-174.5	0	0	0	0	108.5
137	Q	26.2	Very low	39.6	Very low	190 Å²	190	128.1 Å²	128.1	89%	0.888	74%	0.735	S	S	*	*			trans	-67.3	139	-161.9	-68.7	158.8	-19.8	0	0	113.6
138	N	26.8	Very low	42.1	Very low	163 Å²	163	126.3 Å²	126.3	87%	0.872	71%	0.714	S	S	*	*			trans	-58.4	131.8	171.8	-69.2	-32.3	0	0	0	111.8
139	A	32.5	Very low	44.8	Very low	99 Å²	99	125.2 Å²	125.2	82%	0.818	70%	0.701	S	S	*	*			trans	-128.1	69.9	156.6	0	0	0	0	0	108.4
140	D	34.4	Very low	47.2	Very low	146 Å²	146	123.1 Å²	123.1	78%	0.781	69%	0.685	S	S	*	*			trans	-141.3	103	170.4	-102.4	-26.4	0	0	0	108.8
141	V	35.5	Very low	50.2	Low	106 Å²	106	115.7 Å²	115.7	64%	0.642	65%	0.645	S	S	*	*			trans	-152.4	122.2	163.6	179.4	0	0	0	0	106.6	S145	V141-S145 WeakPolarHBondContact CG1-OG 3.16Å
142	P	46.3	Very low	52.7	Low	102 Å²	102	115.1 Å²	115.1	66%	0.662	63%	0.633	S	S	*	*	S	Bend		-147.9	12.4	81	38.2	-16.3	0	0	0	121.1	S145	P142-S145 PolarHBondContact O-OG 3.46Å
143	E	45	Very low	55.5	Low	156 Å²	156	119.6 Å²	119.6	73%	0.729	64%	0.635	S	S	*	*	H	α-helix	trans	-86.1	-34.3	178.7	-148.2	179	-174.7	0	0	113.8
144	S	54.2	Low	58.1	Low	72 Å²	72	110.7 Å²	110.7	50%	0.503	60%	0.598	S	S	.	*	H	α-helix	trans	-69.4	-33.2	175.1	68.1	0	0	0	0	112.3	E146 T148	S144-E146 PolarHBondContact O-N 3.02Å; S144-T148 PolarHBondContact O-N 2.98Å; S144-T148 VanDerWaalsContact O-N 3.11Å; S144-T148 PolarHBondContact O-OG1 3.36Å
145	S	64.1	Low	61.4	Low	26 Å²	26	108.2 Å²	108.2	18%	0.182	59%	0.585	C	S	.	*	H	α-helix	trans	-67.7	-31.9	-176	66.4	0	0	0	0	114.1	V141 P142 R149	V141-S145 WeakPolarHBondContact CG1-OG 3.16Å; P142-S145 PolarHBondContact O-OG 3.46Å; S145-R149 WeakPolarHBondContact O-CB 3.45Å; S145-R149 WeakPolarHBondContact O-CD 3.32Å; S145-R149 WeakPolarHBondContact O-CG 3.45Å; S145-R149 PolarHBondContact O-N 3.44Å; S145-R149 VanDerWaalsContact O-N 3.08Å
146	E	76.8	Confident	64.2	Low	130 Å²	130	104 Å²	104	61%	0.607	56%	0.556	S	S	*	*	H	α-helix	trans	-76.3	-44.2	-177.9	-168.5	172.8	-178.8	0	0	111.1	S144 T148 R149 L150	S144-E146 PolarHBondContact O-N 3.02Å; E146-T148 VanDerWaalsContact C-N 3.35Å; E146-T148 PolarHBondContact O-N 3.34Å; E146-R149 PolarHBondContact O-N 2.97Å; E146-L150 WeakPolarHBondContact O-CG 3.39Å; E146-L150 PolarHBondContact O-N 3.26Å
147	K	81.8	Confident	67.5	Low	97 Å²	97	98.7 Å²	98.7	42%	0.422	52%	0.522	S	S	.	.	H	α-helix	trans	-59.7	-44.8	173.7	-68.1	-175.4	-178.5	-179.3	0	111.4	R149 L150 L151 M209 I234	K147-R149 PolarHBondContact O-N 2.62Å; K147-L150 PolarHBondContact O-N 3.38Å; K147-L151 VanDerWaalsContact O-CG 3.31Å; K147-L151 WeakPolarHBondContact O-CG 3.4Å; K147-L151 PolarHBondContact O-N 3.29Å; K147-M209 HydrophobicContact CB-SD 4.22Å; K147-I234 HydrophobicContact CB-CD1 3.97Å; K147-I234 HydrophobicContact CD-CD1 4.28Å; K147-I234 HydrophobicContact CG-CD1 4.07Å
148	T	83.7	Confident	70.7	Confident	61 Å²	61	92.1 Å²	92.1	37%	0.374	49%	0.493	S	S	.	.	H	α-helix	trans	-60.2	-46.2	176.5	-55.8	0	0	0	0	111.6	S144 E146 L150 L151 E152	S144-T148 PolarHBondContact O-N 2.98Å; S144-T148 VanDerWaalsContact O-N 3.11Å; S144-T148 PolarHBondContact O-OG1 3.36Å; E146-T148 VanDerWaalsContact C-N 3.35Å; E146-T148 PolarHBondContact O-N 3.34Å; T148-L150 PolarHBondContact O-N 3.01Å; T148-L151 PolarHBondContact O-N 2.83Å; T148-E152 WeakPolarHBondContact O-CG 3.41Å; T148-E152 PolarHBondContact O-N 3.29Å
149	R	85.6	Confident	73.8	Confident	172 Å²	172	84.6 Å²	84.6	65%	0.649	45%	0.452	S	S	*	.	H	α-helix	trans	-61.4	-42	177.2	-76.5	171.5	-175.3	-179.1	4.1	113.4	S145 E146 K147 L151 E152	S145-R149 WeakPolarHBondContact O-CB 3.45Å; S145-R149 WeakPolarHBondContact O-CD 3.32Å; S145-R149 WeakPolarHBondContact O-CG 3.45Å; S145-R149 PolarHBondContact O-N 3.44Å; S145-R149 VanDerWaalsContact O-N 3.08Å; E146-R149 PolarHBondContact O-N 2.97Å; K147-R149 PolarHBondContact O-N 2.62Å; R149-L151 VanDerWaalsContact C-N 3.27Å; R149-L151 PolarHBondContact O-N 2.89Å; R149-E152 PolarHBondContact O-N 3.08Å
150	L	86.6	Confident	76.5	Confident	89 Å²	89	80.4 Å²	80.4	47%	0.466	42%	0.416	S	S	.	.	H	α-helix	trans	-62.3	-40.3	177.1	-74	174.2	0	0	0	111.2	E146 K147 T148 P233	E146-L150 WeakPolarHBondContact O-CG 3.39Å; E146-L150 PolarHBondContact O-N 3.26Å; K147-L150 PolarHBondContact O-N 3.38Å; T148-L150 PolarHBondContact O-N 3.01Å; L150-P233 HydrophobicContact CB-CG 4.08Å
151	L	89.7	Confident	79	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-74.3	-33.5	-179.6	-65.7	177.4	0	0	0	111.8	K147 T148 R149 K153 V154 F208 M209 R211 P233 I234	K147-L151 VanDerWaalsContact O-CG 3.31Å; K147-L151 WeakPolarHBondContact O-CG 3.4Å; K147-L151 PolarHBondContact O-N 3.29Å; T148-L151 PolarHBondContact O-N 2.83Å; R149-L151 VanDerWaalsContact C-N 3.27Å; R149-L151 PolarHBondContact O-N 2.89Å; L151-K153 PolarHBondContact O-N 3.5Å; L151-V154 HydrophobicContact CD2-CG2 4.42Å; L151-V154 VanDerWaalsContact O-CB 3.32Å; L151-V154 WeakPolarHBondContact O-CB 3.31Å; L151-V154 WeakPolarHBondContact O-CG2 3.28Å; L151-V154 PolarHBondContact O-N 2.64Å; L151-F208 HydrophobicContact CD2-CD1 4.11Å; L151-M209 HydrophobicContact CD1-CB 4.35Å; L151-M209 HydrophobicContact CD1-CG 3.7Å; L151-M209 HydrophobicContact CD1-SD 3.72Å; L151-R211 PolarHBondContact O-NH1 3.41Å; L151-R211 PolarHBondContact O-NH2 2.8Å; L151-P233 HydrophobicContact CD2-CG 4.09Å; L151-I234 HydrophobicContact CD1-CD1 3.8Å; L151-I234 HydrophobicContact CD2-CD1 4.01Å; L151-I234 HydrophobicContact CD2-CG1 4.3Å; L151-I234 HydrophobicContact CG-CD1 3.89Å
152	E	86.7	Confident	81.2	Confident	125 Å²	125	75.3 Å²	75.3	58%	0.584	38%	0.382	S	S	*	.	H	α-helix	trans	-45.3	-35.4	-170.8	-88.1	168.7	-164.1	0	0	115.3	T148 R149	T148-E152 WeakPolarHBondContact O-CG 3.41Å; T148-E152 PolarHBondContact O-N 3.29Å; R149-E152 PolarHBondContact O-N 3.08Å
153	K	84.8	Confident	82.8	Confident	190 Å²	190	74.5 Å²	74.5	83%	0.826	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-4.4	-177.6	-63.2	-178.3	-179.9	177.8	0	114.5	L151	L151-K153 PolarHBondContact O-N 3.5Å
154	V	92.4	Very high	84.3	Confident	21 Å²	21	67.5 Å²	67.5	13%	0.127	34%	0.339	C	S	.	.			trans	-75.9	125.9	-177.4	176.8	0	0	0	0	110.4	L151 F208 R211 V213 A230 F231 P233	L151-V154 HydrophobicContact CD2-CG2 4.42Å; L151-V154 VanDerWaalsContact O-CB 3.32Å; L151-V154 WeakPolarHBondContact O-CB 3.31Å; L151-V154 WeakPolarHBondContact O-CG2 3.28Å; L151-V154 PolarHBondContact O-N 2.64Å; V154-F208 HydrophobicContact CG1-CD1 4.11Å; V154-F208 HydrophobicContact CG1-CE1 3.73Å; V154-R211 PolarHBondContact O-NH2 3.3Å; V154-V213 HydrophobicContact CG1-CG1 4.05Å; V154-V213 HydrophobicContact CG1-CG2 4.36Å; V154-A230 HydrophobicContact CG1-CB 4.43Å; V154-F231 WeakPolarHBondContact CG1-O 3.45Å; V154-F231 WeakPolarHBondContact CG2-O 3.29Å; V154-P233 HydrophobicContact CG2-CG 4.22Å
155	S	93.3	Very high	85.8	Confident	75 Å²	75	69.5 Å²	69.5	52%	0.524	34%	0.34	S	S	.	.			trans	-129.9	153.2	172.5	55.5	0	0	0	0	110.3
156	S	95.7	Very high	86.9	Confident	26 Å²	26	69.9 Å²	69.9	18%	0.182	34%	0.34	C	S	.	.			trans	-86.5	158.4	167.9	63.8	0	0	0	0	111.5	V213 A229	S156-V213 VanDerWaalsContact CB-O 3.29Å; S156-V213 WeakPolarHBondContact CB-O 3.46Å; S156-V213 PolarHBondContact OG-O 2.87Å; S156-A229 CarbonylContact C-O 3.55Å; S156-A229 WeakPolarHBondContact CA-O 3.29Å
157	F	95	Very high	87.6	Confident	25 Å²	25	67.5 Å²	67.5	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157	170.3	68.5	-82.2	0	0	0	110.7	L159 I168 F174 L178 W228 A229	F157-L159 HydrophobicContact CE2-CB 4.25Å; F157-L159 HydrophobicContact CE2-CD1 4.04Å; F157-L159 HydrophobicContact CZ-CD1 4.49Å; F157-L159 PolarHBondContact O-N 3.26Å; F157-I168 HydrophobicContact CD2-CD1 4.06Å; F157-I168 HydrophobicContact CD2-CG1 4.19Å; F157-I168 HydrophobicContact CE2-CD1 3.99Å; F157-I168 HydrophobicContact CE2-CG1 3.68Å; F157-F174 HydrophobicContact CE2-CD2 4.38Å; F157-F174 HydrophobicContact CE2-CE2 4.43Å; F157-F174 AromaticContact CZ-CD2 3.96Å; F157-F174 HydrophobicContact CZ-CD2 3.96Å; F157-F174 AromaticContact CZ-CE2 3.82Å; F157-F174 HydrophobicContact CZ-CE2 3.82Å; F157-L178 HydrophobicContact CE1-CD2 3.59Å; F157-L178 HydrophobicContact CE1-CG 3.65Å; F157-L178 HydrophobicContact CZ-CD2 4.29Å; F157-L178 HydrophobicContact CZ-CG 4.09Å; F157-W228 VanDerWaalsContact O-CA 3.3Å; F157-W228 WeakPolarHBondContact O-CA 3.44Å; F157-A229 VanDerWaalsContact CD1-O 3.32Å; F157-A229 WeakPolarHBondContact CD1-O 3.46Å; F157-A229 HydrophobicContact CE1-CB 3.86Å; F157-A229 HydrophobicContact CE2-CB 4.48Å; F157-A229 HydrophobicContact CZ-CB 3.82Å; F157-A229 PolarHBondContact N-O 3.02Å; F157-A229 PolarHBondContact O-N 3.42Å
158	L	93.7	Very high	88	Confident	52 Å²	52	63.9 Å²	63.9	27%	0.272	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	116	176.5	-175.4	68.3	0	0	0	109.4	V160 D161 Q167 W228	L158-V160 VanDerWaalsContact CD1-O 3.28Å; L158-V160 WeakPolarHBondContact CD1-O 3.35Å; L158-D161 HydrophobicContact CD2-CB 4.08Å; L158-Q167 HydrophobicContact CD2-CG 4.01Å; L158-Q167 HydrophobicContact CG-CG 4.02Å; L158-Q167 WeakPolarHBondContact O-CB 3.49Å; L158-W228 HydrophobicContact CB-CD2 4.34Å; L158-W228 HydrophobicContact CB-CE3 4.43Å; L158-W228 HydrophobicContact CB-CH2 4.04Å; L158-W228 HydrophobicContact CB-CZ2 3.95Å; L158-W228 HydrophobicContact CB-CZ3 4.29Å; L158-W228 HydrophobicContact CD1-CD2 4.25Å; L158-W228 HydrophobicContact CD1-CG 4.44Å; L158-W228 HydrophobicContact CD1-CZ2 3.9Å; L158-W228 HydrophobicContact CG-CZ2 4.43Å
159	L	92.3	Very high	88.1	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-46.4	179.3	179.5	61.5	0	0	0	111.4	F157 M166 Q167 I168 F174 V227 A229 L406	F157-L159 HydrophobicContact CE2-CB 4.25Å; F157-L159 HydrophobicContact CE2-CD1 4.04Å; F157-L159 HydrophobicContact CZ-CD1 4.49Å; F157-L159 PolarHBondContact O-N 3.26Å; L159-M166 HydrophobicContact CD1-CE 4.28Å; L159-Q167 PolarHBondContact O-N 3.01Å; L159-I168 HydrophobicContact CD1-CG1 4.35Å; L159-F174 HydrophobicContact CD1-CD2 4.27Å; L159-F174 HydrophobicContact CD1-CE2 3.81Å; L159-V227 WeakPolarHBondContact CA-O 3.46Å; L159-V227 WeakPolarHBondContact CB-O 3.44Å; L159-V227 HydrophobicContact CD2-CG1 4.45Å; L159-V227 PolarHBondContact N-O 2.78Å; L159-A229 HydrophobicContact CB-CB 4.36Å; L159-A229 HydrophobicContact CD2-CB 4.32Å; L159-L406 HydrophobicContact CD1-CD1 4.4Å; L159-L406 HydrophobicContact CD2-CD1 3.97Å; L159-L406 HydrophobicContact CD2-CD2 4.43Å
160	V	89.5	Confident	88.3	Confident	11 Å²	11	64.3 Å²	64.3	7%	0.067	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.3	178.1	-172.6	0	0	0	0	108.2	L158 E164 E165 G226 V227 L258	L158-V160 VanDerWaalsContact CD1-O 3.28Å; L158-V160 WeakPolarHBondContact CD1-O 3.35Å; V160-E164 VanDerWaalsContact CG1-C 3.47Å; V160-E165 WeakPolarHBondContact CA-O 3.48Å; V160-G226 CarbonylContact O-C 3.53Å; V160-G226 VanDerWaalsContact O-CA 3.31Å; V160-G226 WeakPolarHBondContact O-CA 3.44Å; V160-V227 HydrophobicContact CB-CB 4.06Å; V160-V227 HydrophobicContact CB-CG2 4.44Å; V160-V227 HydrophobicContact CG2-CB 4.34Å; V160-V227 PolarHBondContact N-O 3.1Å; V160-V227 VanDerWaalsContact N-O 3.13Å; V160-V227 PolarHBondContact O-N 3.16Å; V160-L258 HydrophobicContact CB-CD1 4.3Å; V160-L258 HydrophobicContact CG1-CD1 3.99Å
161	D	87.3	Confident	88.4	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.144	31%	0.31	C	S	.	.			trans	-84.3	-177.3	178.7	70.3	13	0	0	0	113.4	L158 N163 E164 E165 Q167	L158-D161 HydrophobicContact CD2-CB 4.08Å; D161-N163 PolarHBondContact O-N 2.9Å; D161-N163 WeakPolarHBondContact OD1-CA 3.21Å; D161-N163 WeakPolarHBondContact OD1-CB 3.16Å; D161-N163 PolarHBondContact OD1-N 3.14Å; D161-E164 PolarHBondContact O-N 3.23Å; D161-E164 VanDerWaalsContact O-N 3.14Å; D161-E164 PolarHBondContact OD1-N 2.89Å; D161-E164 VanDerWaalsContact OD1-N 3.16Å; D161-E165 PolarHBondContact N-O 3.38Å; D161-E165 VanDerWaalsContact N-O 3.08Å; D161-E165 PolarHBondContact OD1-N 2.9Å; D161-Q167 PolarHBondContact OD2-NE2 3.24Å
162	E	80.3	Confident	88.4	Confident	119 Å²	119	66.3 Å²	66.3	56%	0.556	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.8	176.1	61.8	-166	-142.6	0	0	114.8	V225	E162-V225 HydrophobicContact CB-CG1 3.72Å; E162-V225 HydrophobicContact CG-CG1 4.48Å; E162-V225 VanDerWaalsContact OE2-CG1 3.31Å; E162-V225 WeakPolarHBondContact OE2-CG1 3.25Å
163	N	80.2	Confident	88.7	Confident	85 Å²	85	62 Å²	62	46%	0.455	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	7.8	178.3	-59.5	-53.7	0	0	0	112.1	D161 E165	D161-N163 PolarHBondContact O-N 2.9Å; D161-N163 WeakPolarHBondContact OD1-CA 3.21Å; D161-N163 WeakPolarHBondContact OD1-CB 3.16Å; D161-N163 PolarHBondContact OD1-N 3.14Å; N163-E165 HydrophobicContact CB-CG 4.39Å; N163-E165 PolarHBondContact O-N 3.21Å
164	E	77.8	Confident	89	Confident	8 Å²	8	53 Å²	53	4%	0.037	28%	0.277	C	S	.	.	S	Bend	trans	67	16.7	-175.8	-55.2	164.2	-126.3	0	0	114.6	V160 D161 Q254 R257 K261	V160-E164 VanDerWaalsContact CG1-C 3.47Å; D161-E164 PolarHBondContact O-N 3.23Å; D161-E164 VanDerWaalsContact O-N 3.14Å; D161-E164 PolarHBondContact OD1-N 2.89Å; D161-E164 VanDerWaalsContact OD1-N 3.16Å; E164-Q254 WeakPolarHBondContact OE1-CA 3.31Å; E164-Q254 WeakPolarHBondContact OE1-CB 3.39Å; E164-Q254 VanDerWaalsContact OE1-CD 3.32Å; E164-Q254 WeakPolarHBondContact OE1-CG 3.34Å; E164-R257 IonicContact OE1-CZ 2.89Å; E164-R257 IonicContact OE1-NE 2.73Å; E164-R257 IonicContact OE1-NH2 3.74Å; E164-R257 PolarHBondContact OE1-NH2 2.65Å; E164-R257 WeakPolarHBondContact OE2-CB 3.45Å; E164-R257 IonicContact OE2-CZ 2.89Å; E164-R257 IonicContact OE2-NE 3.91Å; E164-R257 PolarHBondContact OE2-NE 3.44Å; E164-R257 IonicContact OE2-NH2 3.78Å; E164-R257 PolarHBondContact OE2-NH2 2.79Å; E164-K261 PolarHBondContact O-NZ 3.04Å
165	E	83.8	Confident	88.8	Confident	114 Å²	114	53.8 Å²	53.8	53%	0.533	28%	0.28	S	S	.	.			trans	-86.4	128.9	178.7	-63	-164	164.5	0	0	111	V160 D161 N163 Q167	V160-E165 WeakPolarHBondContact CA-O 3.48Å; D161-E165 PolarHBondContact N-O 3.38Å; D161-E165 VanDerWaalsContact N-O 3.08Å; D161-E165 PolarHBondContact OD1-N 2.9Å; N163-E165 HydrophobicContact CB-CG 4.39Å; N163-E165 PolarHBondContact O-N 3.21Å; E165-Q167 PolarHBondContact O-N 3.38Å; E165-Q167 PolarHBondContact O-NE2 3.45Å
166	M	88	Confident	88.7	Confident	34 Å²	34	59.6 Å²	59.6	17%	0.167	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-72.2	121.1	176.1	-170.6	171	178	0	0	109.6	L159 I168 F403 L406	L159-M166 HydrophobicContact CD1-CE 4.28Å; M166-I168 VanDerWaalsContact C-N 3.34Å; M166-F403 HydrophobicContact CE-CD2 3.76Å; M166-F403 HydrophobicContact CE-CE2 3.48Å; M166-F403 VanDerWaalsContact CE-CE2 3.48Å; M166-F403 HydrophobicContact CE-CZ 4.4Å; M166-L406 HydrophobicContact CE-CB 3.95Å; M166-L406 HydrophobicContact SD-CB 4.47Å
167	Q	91.8	Very high	88.5	Confident	81 Å²	81	60.2 Å²	60.2	38%	0.379	30%	0.295	S	S	.	.	S	Bend	trans	-79.5	-21.9	-174.3	-60	-57.5	-60.8	0	0	112.8	L158 L159 D161 E165	L158-Q167 HydrophobicContact CD2-CG 4.01Å; L158-Q167 HydrophobicContact CG-CG 4.02Å; L158-Q167 WeakPolarHBondContact O-CB 3.49Å; L159-Q167 PolarHBondContact O-N 3.01Å; D161-Q167 PolarHBondContact OD2-NE2 3.24Å; E165-Q167 PolarHBondContact O-N 3.38Å; E165-Q167 PolarHBondContact O-NE2 3.45Å
168	I	89.9	Confident	88.3	Confident	20 Å²	20	59.6 Å²	59.6	10%	0.103	29%	0.293	C	S	.	.			trans	-99.8	119.2	-179.7	-53.1	-59.7	0	0	0	109.7	F157 L159 M166 D170 F174 F403	F157-I168 HydrophobicContact CD2-CD1 4.06Å; F157-I168 HydrophobicContact CD2-CG1 4.19Å; F157-I168 HydrophobicContact CE2-CD1 3.99Å; F157-I168 HydrophobicContact CE2-CG1 3.68Å; L159-I168 HydrophobicContact CD1-CG1 4.35Å; M166-I168 VanDerWaalsContact C-N 3.34Å; I168-D170 WeakPolarHBondContact CG2-O 3.33Å; I168-F174 HydrophobicContact CG1-CD2 4.41Å; I168-F174 HydrophobicContact CG2-CB 3.68Å; I168-F174 HydrophobicContact CG2-CD2 4.28Å; I168-F174 HydrophobicContact CG2-CG 4.47Å; I168-F174 VanDerWaalsContact CG2-N 3.34Å; I168-F403 HydrophobicContact CB-CE2 4.48Å; I168-F403 HydrophobicContact CG2-CE2 3.96Å
169	K	85.9	Confident	87.9	Confident	179 Å²	179	60.2 Å²	60.2	78%	0.778	31%	0.312	S	S	*	.			trans	-94.4	-19.6	-172	-62	-173.7	179	-177.2	0	114.6
170	D	89.9	Confident	87.4	Confident	64 Å²	64	60.9 Å²	60.9	34%	0.342	32%	0.316	S	S	.	.	S	Bend	trans	-145.7	157	-175.7	72	90.3	0	0	0	112.1	I168 S172 S173 F174 F403	I168-D170 WeakPolarHBondContact CG2-O 3.33Å; D170-S172 VanDerWaalsContact C-N 3.27Å; D170-S172 PolarHBondContact O-N 2.93Å; D170-S172 WeakPolarHBondContact OD1-CA 3.47Å; D170-S172 VanDerWaalsContact OD1-CB 3.23Å; D170-S172 WeakPolarHBondContact OD1-CB 3.39Å; D170-S172 PolarHBondContact OD1-N 3.45Å; D170-S173 PolarHBondContact O-N 3.17Å; D170-S173 PolarHBondContact OD1-N 3.24Å; D170-S173 PolarHBondContact OD1-OG 2.96Å; D170-S173 VanDerWaalsContact OD2-CB 3.27Å; D170-S173 WeakPolarHBondContact OD2-CB 3.4Å; D170-S173 PolarHBondContact OD2-OG 2.64Å; D170-F174 PolarHBondContact O-N 3.49Å; D170-F174 VanDerWaalsContact O-N 3.11Å; D170-F403 VanDerWaalsContact CA-CZ 3.48Å
171	E	89.1	Confident	87.2	Confident	64 Å²	64	64.8 Å²	64.8	30%	0.299	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-36	-176.7	-163.4	-177.8	142.6	0	0	112.2	F174 M175 G400 F403	E171-F174 WeakPolarHBondContact O-CB 3.4Å; E171-F174 PolarHBondContact O-N 2.98Å; E171-M175 HydrophobicContact CG-CE 4.03Å; E171-M175 WeakPolarHBondContact O-CG 3.3Å; E171-M175 PolarHBondContact O-N 3.37Å; E171-G400 WeakPolarHBondContact OE1-CA 3.35Å; E171-F403 HydrophobicContact CB-CD1 3.77Å; E171-F403 HydrophobicContact CB-CE1 4.12Å; E171-F403 HydrophobicContact CB-CG 4.36Å; E171-F403 HydrophobicContact CG-CB 4.38Å; E171-F403 HydrophobicContact CG-CD1 4.09Å; E171-F403 HydrophobicContact CG-CG 4.39Å
172	S	89.9	Confident	87	Confident	68 Å²	68	66.8 Å²	66.8	48%	0.476	35%	0.351	S	S	.	.	H	α-helix	trans	-69.9	-40	-178.4	-59.6	0	0	0	0	111.7	D170 F174 M175 R176	D170-S172 VanDerWaalsContact C-N 3.27Å; D170-S172 PolarHBondContact O-N 2.93Å; D170-S172 WeakPolarHBondContact OD1-CA 3.47Å; D170-S172 VanDerWaalsContact OD1-CB 3.23Å; D170-S172 WeakPolarHBondContact OD1-CB 3.39Å; D170-S172 PolarHBondContact OD1-N 3.45Å; S172-F174 VanDerWaalsContact C-N 3.33Å; S172-M175 PolarHBondContact O-N 3.2Å; S172-R176 WeakPolarHBondContact O-CB 3.29Å; S172-R176 PolarHBondContact O-N 3.27Å
173	S	91.2	Very high	87.2	Confident	35 Å²	35	67.4 Å²	67.4	25%	0.245	36%	0.358	C	S	.	.	H	α-helix	trans	-64.9	-36.8	173.2	-65.3	0	0	0	0	111.8	D170 R176 S177	D170-S173 PolarHBondContact O-N 3.17Å; D170-S173 PolarHBondContact OD1-N 3.24Å; D170-S173 PolarHBondContact OD1-OG 2.96Å; D170-S173 VanDerWaalsContact OD2-CB 3.27Å; D170-S173 WeakPolarHBondContact OD2-CB 3.4Å; D170-S173 PolarHBondContact OD2-OG 2.64Å; S173-R176 PolarHBondContact O-N 2.98Å; S173-S177 WeakPolarHBondContact O-CB 3.23Å; S173-S177 PolarHBondContact O-N 2.99Å; S173-S177 PolarHBondContact O-OG 2.77Å
174	F	90.9	Very high	87.6	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-48.9	174.9	-169.9	-120.3	0	0	0	111.7	F157 L159 I168 D170 E171 S172 R176 S177 L178 L399 I402 F403 L406	F157-F174 HydrophobicContact CE2-CD2 4.38Å; F157-F174 HydrophobicContact CE2-CE2 4.43Å; F157-F174 AromaticContact CZ-CD2 3.96Å; F157-F174 HydrophobicContact CZ-CD2 3.96Å; F157-F174 AromaticContact CZ-CE2 3.82Å; F157-F174 HydrophobicContact CZ-CE2 3.82Å; L159-F174 HydrophobicContact CD1-CD2 4.27Å; L159-F174 HydrophobicContact CD1-CE2 3.81Å; I168-F174 HydrophobicContact CG1-CD2 4.41Å; I168-F174 HydrophobicContact CG2-CB 3.68Å; I168-F174 HydrophobicContact CG2-CD2 4.28Å; I168-F174 HydrophobicContact CG2-CG 4.47Å; I168-F174 VanDerWaalsContact CG2-N 3.34Å; D170-F174 PolarHBondContact O-N 3.49Å; D170-F174 VanDerWaalsContact O-N 3.11Å; E171-F174 WeakPolarHBondContact O-CB 3.4Å; E171-F174 PolarHBondContact O-N 2.98Å; S172-F174 VanDerWaalsContact C-N 3.33Å; F174-R176 VanDerWaalsContact C-N 3.34Å; F174-R176 PolarHBondContact O-N 2.89Å; F174-S177 PolarHBondContact O-N 3.41Å; F174-L178 HydrophobicContact CD1-CD1 4.11Å; F174-L178 HydrophobicContact CD2-CD1 4.43Å; F174-L178 HydrophobicContact CE1-CD1 3.67Å; F174-L178 HydrophobicContact CE2-CD1 4Å; F174-L178 HydrophobicContact CG-CD1 4.48Å; F174-L178 HydrophobicContact CZ-CD1 3.61Å; F174-L178 PolarHBondContact O-N 3.22Å; F174-L178 VanDerWaalsContact O-N 3.1Å; F174-L399 HydrophobicContact CD1-CD2 4.29Å; F174-L399 HydrophobicContact CE1-CD2 3.75Å; F174-I402 HydrophobicContact CE1-CG2 4.41Å; F174-I402 HydrophobicContact CZ-CG2 4.46Å; F174-F403 HydrophobicContact CB-CD2 3.65Å; F174-F403 HydrophobicContact CB-CE2 4.19Å; F174-F403 HydrophobicContact CB-CG 4.29Å; F174-F403 HydrophobicContact CD1-CB 3.73Å; F174-F403 HydrophobicContact CD1-CD2 4.06Å; F174-F403 HydrophobicContact CD1-CG 4.28Å; F174-F403 HydrophobicContact CD2-CD2 4.23Å; F174-F403 HydrophobicContact CE1-CB 4.14Å; F174-F403 HydrophobicContact CG-CB 4.3Å; F174-F403 AromaticContact CG-CD2 3.73Å; F174-F403 HydrophobicContact CG-CD2 3.73Å; F174-F403 HydrophobicContact CG-CG 4.38Å; F174-L406 HydrophobicContact CE2-CD1 4.31Å; F174-L406 HydrophobicContact CZ-CD1 4.04Å
175	M	90.2	Very high	88.2	Confident	37 Å²	37	69.5 Å²	69.5	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-60.2	-43.2	177	-71.8	-174	-76.9	0	0	112.2	E171 S172 S177 L178 G179 P182 L399	E171-M175 HydrophobicContact CG-CE 4.03Å; E171-M175 WeakPolarHBondContact O-CG 3.3Å; E171-M175 PolarHBondContact O-N 3.37Å; S172-M175 PolarHBondContact O-N 3.2Å; M175-S177 VanDerWaalsContact C-N 3.34Å; M175-S177 PolarHBondContact O-N 3.38Å; M175-L178 PolarHBondContact O-N 3.46Å; M175-G179 PolarHBondContact O-N 2.52Å; M175-P182 HydrophobicContact SD-CB 3.83Å; M175-L399 HydrophobicContact CG-CB 4.19Å; M175-L399 HydrophobicContact CG-CD1 4.13Å
176	R	90.4	Very high	88.7	Confident	197 Å²	197	64.1 Å²	64.1	74%	0.743	34%	0.343	S	S	*	.	H	α-helix	trans	-63.5	-40.6	177.6	-169.4	-175.1	-58.8	155.2	5.1	112	S172 S173 F174 L178 G179	S172-R176 WeakPolarHBondContact O-CB 3.29Å; S172-R176 PolarHBondContact O-N 3.27Å; S173-R176 PolarHBondContact O-N 2.98Å; F174-R176 VanDerWaalsContact C-N 3.34Å; F174-R176 PolarHBondContact O-N 2.89Å; R176-L178 VanDerWaalsContact C-N 3.35Å; R176-G179 PolarHBondContact O-N 3.37Å
177	S	90.9	Very high	89	Confident	40 Å²	40	63 Å²	63	28%	0.28	34%	0.337	S	S	.	.	H	α-helix	trans	-68.8	-33.4	-178.9	-55.9	0	0	0	0	112.4	S173 F174 M175	S173-S177 WeakPolarHBondContact O-CB 3.23Å; S173-S177 PolarHBondContact O-N 2.99Å; S173-S177 PolarHBondContact O-OG 2.77Å; F174-S177 PolarHBondContact O-N 3.41Å; M175-S177 VanDerWaalsContact C-N 3.34Å; M175-S177 PolarHBondContact O-N 3.38Å
178	L	90.5	Very high	89.2	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.063	32%	0.319	C	S	.	.	H	α-helix	trans	-82.8	-21.6	174.8	-75.6	168.3	0	0	0	113.8	F157 F174 M175 R176 C180 F231 V238 L399	F157-L178 HydrophobicContact CE1-CD2 3.59Å; F157-L178 HydrophobicContact CE1-CG 3.65Å; F157-L178 HydrophobicContact CZ-CD2 4.29Å; F157-L178 HydrophobicContact CZ-CG 4.09Å; F174-L178 HydrophobicContact CD1-CD1 4.11Å; F174-L178 HydrophobicContact CD2-CD1 4.43Å; F174-L178 HydrophobicContact CE1-CD1 3.67Å; F174-L178 HydrophobicContact CE2-CD1 4Å; F174-L178 HydrophobicContact CG-CD1 4.48Å; F174-L178 HydrophobicContact CZ-CD1 3.61Å; F174-L178 PolarHBondContact O-N 3.22Å; F174-L178 VanDerWaalsContact O-N 3.1Å; M175-L178 PolarHBondContact O-N 3.46Å; R176-L178 VanDerWaalsContact C-N 3.35Å; L178-C180 HydrophobicContact CB-CB 4.4Å; L178-C180 PolarHBondContact O-N 3.32Å; L178-F231 HydrophobicContact CB-CB 4.23Å; L178-F231 HydrophobicContact CD2-CB 3.93Å; L178-F231 WeakPolarHBondContact O-CB 2.95Å; L178-V238 HydrophobicContact CD1-CG2 4.24Å; L178-V238 HydrophobicContact CD2-CG1 4.28Å; L178-L399 HydrophobicContact CD1-CD1 4.35Å; L178-L399 HydrophobicContact CD1-CD2 3.42Å; L178-L399 VanDerWaalsContact CD1-CD2 3.42Å
179	G	85.9	Confident	89.6	Confident	65 Å²	65	58.3 Å²	58.3	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	32.4	-179	0	0	0	0	0	113.9	M175 R176	M175-G179 PolarHBondContact O-N 2.52Å; R176-G179 PolarHBondContact O-N 3.37Å
180	C	82.8	Confident	90.1	Very high	17 Å²	17	49.8 Å²	49.8	12%	0.115	28%	0.277	C	S	.	.			trans	-115.7	157.7	-172.1	178.7	0	0	0	0	112.4	L178 Q184 F231 L399	L178-C180 HydrophobicContact CB-CB 4.4Å; L178-C180 PolarHBondContact O-N 3.32Å; C180-Q184 VanDerWaalsContact SG-CB 3.59Å; C180-F231 HydrophobicContact CB-CD1 3.74Å; C180-F231 HydrophobicContact CB-CD2 4.4Å; C180-F231 HydrophobicContact CB-CE1 3.81Å; C180-F231 HydrophobicContact CB-CE2 4.49Å; C180-F231 HydrophobicContact CB-CG 4.05Å; C180-F231 HydrophobicContact CB-CZ 4.2Å; C180-L399 HydrophobicContact CB-CD1 3.65Å
181	N	84.9	Confident	90.3	Very high	93 Å²	93	46.7 Å²	46.7	50%	0.497	26%	0.261	S	S	.	.			trans	-73.1	136	179.1	179.3	-30.5	0	0	0	110.9	N183 Q184	N181-N183 VanDerWaalsContact C-N 3.25Å; N181-N183 PolarHBondContact O-N 2.86Å; N181-N183 PolarHBondContact OD1-N 3.21Å; N181-Q184 HydrophobicContact CB-CB 4.24Å; N181-Q184 WeakPolarHBondContact O-CB 3.14Å; N181-Q184 PolarHBondContact O-N 2.9Å
182	P	82.2	Confident	90.5	Very high	70 Å²	70	43.8 Å²	43.8	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.3	-179.3	20.9	-34.7	0	0	0	114.6	M175 Q184	M175-P182 HydrophobicContact SD-CB 3.83Å; P182-Q184 VanDerWaalsContact C-N 3.32Å
183	N	85.4	Confident	90.5	Very high	132 Å²	132	40.6 Å²	40.6	71%	0.706	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	3.8	-177.6	-63	-14.4	0	0	0	112.7	N181 L185	N181-N183 VanDerWaalsContact C-N 3.25Å; N181-N183 PolarHBondContact O-N 2.86Å; N181-N183 PolarHBondContact OD1-N 3.21Å; N183-L185 PolarHBondContact O-N 3.47Å
184	Q	88.3	Confident	90.2	Very high	49 Å²	49	41.8 Å²	41.8	23%	0.229	23%	0.229	C	C	.	.			trans	-70.1	123.5	178.9	-173.5	58.9	56.6	0	0	109.5	C180 N181 P182 L186	C180-Q184 VanDerWaalsContact SG-CB 3.59Å; N181-Q184 HydrophobicContact CB-CB 4.24Å; N181-Q184 WeakPolarHBondContact O-CB 3.14Å; N181-Q184 PolarHBondContact O-N 2.9Å; P182-Q184 VanDerWaalsContact C-N 3.32Å; Q184-L186 HydrophobicContact CB-CD2 4.45Å; Q184-L186 HydrophobicContact CG-CD2 3.5Å; Q184-L186 HydrophobicContact CG-CG 4.02Å
185	L	90.8	Very high	89.9	Confident	88 Å²	88	44.3 Å²	44.3	46%	0.461	24%	0.244	S	C	.	.			trans	-81.6	128.2	171.1	-56.7	178.6	0	0	0	109.3	N183 P396 T398	N183-L185 PolarHBondContact O-N 3.47Å; L185-P396 HydrophobicContact CB-CB 3.83Å; L185-T398 HydrophobicContact CD2-CG2 3.93Å
186	L	93.4	Very high	89.6	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-132.4	149.6	-171.1	-59.3	175.4	0	0	0	111.7	Q184 F231 K236 V238 P396 R397 L399 I402	Q184-L186 HydrophobicContact CB-CD2 4.45Å; Q184-L186 HydrophobicContact CG-CD2 3.5Å; Q184-L186 HydrophobicContact CG-CG 4.02Å; L186-F231 HydrophobicContact CD1-CE2 4.48Å; L186-F231 HydrophobicContact CD2-CD2 4.15Å; L186-F231 HydrophobicContact CD2-CE2 3.43Å; L186-F231 VanDerWaalsContact CD2-CE2 3.43Å; L186-F231 HydrophobicContact CD2-CZ 4.26Å; L186-K236 WeakPolarHBondContact CA-O 3.49Å; L186-K236 VanDerWaalsContact CD2-C 3.45Å; L186-K236 HydrophobicContact CD2-CB 4.1Å; L186-K236 VanDerWaalsContact CD2-O 3.27Å; L186-K236 WeakPolarHBondContact CD2-O 3.31Å; L186-V238 HydrophobicContact CD1-CG2 3.84Å; L186-P396 CarbonylContact O-C 3.54Å; L186-P396 VanDerWaalsContact O-CA 3.3Å; L186-P396 WeakPolarHBondContact O-CA 3.44Å; L186-R397 PolarHBondContact N-O 2.99Å; L186-R397 PolarHBondContact O-N 3.47Å; L186-L399 HydrophobicContact CD1-CD1 4.08Å; L186-L399 HydrophobicContact CD1-CD2 3.38Å; L186-L399 HydrophobicContact CD1-CG 3.5Å; L186-L399 VanDerWaalsContact CD1-CG 3.5Å; L186-I402 HydrophobicContact CB-CD1 4.1Å
187	K	94.7	Very high	89.5	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	164.5	161	-73.7	-171.4	172.1	-178.4	0	111	K236 I237 V238 D267 L388 N390 N391 P396	K187-K236 PolarHBondContact N-O 3.48Å; K187-I237 HydrophobicContact CB-CG2 4.06Å; K187-I237 CarbonylContact O-C 3.52Å; K187-I237 WeakPolarHBondContact O-CA 3.43Å; K187-I237 WeakPolarHBondContact O-CB 3.31Å; K187-V238 PolarHBondContact O-N 3.36Å; K187-D267 VanDerWaalsContact CA-OD2 3.32Å; K187-D267 WeakPolarHBondContact CA-OD2 3.22Å; K187-D267 HydrophobicContact CB-CB 4.21Å; K187-D267 HydrophobicContact CD-CB 4.28Å; K187-D267 HydrophobicContact CG-CB 4.35Å; K187-L388 HydrophobicContact CB-CD2 4.18Å; K187-L388 HydrophobicContact CD-CD2 4.08Å; K187-L388 WeakPolarHBondContact CD-O 3.42Å; K187-L388 WeakPolarHBondContact CE-O 3.5Å; K187-L388 PolarHBondContact NZ-O 3.34Å; K187-N390 PolarHBondContact NZ-O 3.17Å; K187-N391 WeakPolarHBondContact CE-OD1 3.34Å; K187-N391 PolarHBondContact NZ-OD1 2.95Å; K187-P396 HydrophobicContact CG-CB 4.31Å; K187-P396 HydrophobicContact CG-CG 4.07Å
188	V	96	Very high	89.4	Confident	1 Å²	1	36 Å²	36	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.3	178.8	-176.2	0	0	0	0	109.7	V238 I240 V265 D267 L268 I402	V188-V238 CarbonylContact C-O 3.56Å; V188-V238 WeakPolarHBondContact CA-O 3.39Å; V188-V238 HydrophobicContact CG2-CB 4.4Å; V188-I240 HydrophobicContact CG1-CD1 3.45Å; V188-I240 VanDerWaalsContact CG1-CD1 3.45Å; V188-I240 HydrophobicContact CG1-CG1 4Å; V188-V265 VanDerWaalsContact CB-O 3.31Å; V188-V265 WeakPolarHBondContact CB-O 3.49Å; V188-V265 HydrophobicContact CG1-CG2 4.44Å; V188-V265 WeakPolarHBondContact CG2-O 3.21Å; V188-D267 PolarHBondContact N-OD2 3.25Å; V188-D267 PolarHBondContact O-N 3.39Å; V188-L268 PolarHBondContact O-N 3.16Å; V188-I402 HydrophobicContact CG2-CD1 3.84Å; V188-I402 HydrophobicContact CG2-CG1 4.31Å; V188-I402 HydrophobicContact CG2-CG2 4.13Å
189	V	97.5	Very high	89.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.3	172.2	-177.8	0	0	0	0	108.9	F207 I237 V238 V239 I240 L268 I270 L388	V189-F207 HydrophobicContact CB-CZ 4.44Å; V189-F207 HydrophobicContact CG1-CE2 4.16Å; V189-F207 HydrophobicContact CG1-CZ 3.96Å; V189-F207 HydrophobicContact CG2-CZ 4.46Å; V189-I237 HydrophobicContact CB-CD1 4.3Å; V189-I237 HydrophobicContact CG2-CB 4.42Å; V189-I237 HydrophobicContact CG2-CD1 3.69Å; V189-I237 HydrophobicContact CG2-CG2 4.47Å; V189-V238 PolarHBondContact N-O 2.79Å; V189-V239 CarbonylContact O-C 3.51Å; V189-V239 WeakPolarHBondContact O-CA 3.32Å; V189-I240 PolarHBondContact O-N 2.92Å; V189-L268 WeakPolarHBondContact CA-O 3.22Å; V189-L268 HydrophobicContact CG2-CB 4.29Å; V189-L268 HydrophobicContact CG2-CD2 4.44Å; V189-I270 HydrophobicContact CG1-CD1 3.92Å; V189-I270 HydrophobicContact CG1-CG1 4.2Å; V189-L388 HydrophobicContact CG2-CD1 4.29Å; V189-L388 HydrophobicContact CG2-CD2 3.67Å; V189-L388 HydrophobicContact CG2-CG 4.46Å
190	S	96.8	Very high	90	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.6	176.6	-54.9	0	0	0	0	111	I240 V262 S266 L268 I269 I270	S190-I240 WeakPolarHBondContact CA-O 3.47Å; S190-V262 VanDerWaalsContact CB-CG1 3.49Å; S190-V262 VanDerWaalsContact OG-CG1 3.26Å; S190-V262 WeakPolarHBondContact OG-CG1 3.47Å; S190-S266 VanDerWaalsContact CB-OG 3.32Å; S190-S266 WeakPolarHBondContact CB-OG 3.39Å; S190-S266 PolarHBondContact OG-OG 3.21Å; S190-L268 PolarHBondContact N-O 3.3Å; S190-I269 CarbonylContact O-C 3.21Å; S190-I269 VanDerWaalsContact O-CA 3.32Å; S190-I269 WeakPolarHBondContact O-CA 3.43Å; S190-I270 PolarHBondContact O-N 3.24Å
191	I	95.4	Very high	90.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.4	174.4	-165.8	161.6	0	0	0	111.4	K199 T202 L203 I240 D241 T242 I270 R272	I191-K199 HydrophobicContact CD1-CB 4.06Å; I191-K199 HydrophobicContact CD1-CG 4.42Å; I191-K199 HydrophobicContact CG1-CB 4.2Å; I191-K199 HydrophobicContact CG1-CG 4.23Å; I191-K199 HydrophobicContact CG2-CB 3.98Å; I191-K199 HydrophobicContact CG2-CD 4.47Å; I191-T202 HydrophobicContact CD1-CG2 3.96Å; I191-L203 HydrophobicContact CB-CD1 4.26Å; I191-L203 HydrophobicContact CB-CD2 4.02Å; I191-L203 HydrophobicContact CB-CG 4.21Å; I191-L203 HydrophobicContact CD1-CD2 4.07Å; I191-L203 HydrophobicContact CD1-CG 4.02Å; I191-L203 HydrophobicContact CG2-CD1 3.46Å; I191-L203 VanDerWaalsContact CG2-CD1 3.46Å; I191-L203 HydrophobicContact CG2-CD2 4.15Å; I191-L203 HydrophobicContact CG2-CG 3.84Å; I191-I240 PolarHBondContact N-O 2.98Å; I191-I240 VanDerWaalsContact N-O 3.11Å; I191-D241 WeakPolarHBondContact CG2-OD1 3.3Å; I191-T242 PolarHBondContact O-OG1 3.16Å; I191-I270 CarbonylContact C-O 3.57Å; I191-I270 VanDerWaalsContact CA-O 3.26Å; I191-I270 WeakPolarHBondContact CA-O 3.32Å; I191-I270 HydrophobicContact CB-CB 4.35Å; I191-I270 HydrophobicContact CD1-CB 4.36Å; I191-I270 HydrophobicContact CD1-CG2 4.07Å; I191-I270 HydrophobicContact CG1-CB 4Å; I191-I270 HydrophobicContact CG1-CG2 4.08Å; I191-I270 WeakPolarHBondContact CG1-O 3.36Å; I191-R272 HydrophobicContact CD1-CB 4.01Å; I191-R272 HydrophobicContact CG1-CB 4.1Å
192	F	92.4	Very high	91	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	162.7	172.5	-59.6	-44.9	0	0	0	110.7	T242 L245 L259 V262 L263 I269 I270 Y271 R272	F192-T242 HydrophobicContact CD1-CG2 4.03Å; F192-T242 HydrophobicContact CE1-CG2 3.78Å; F192-L245 HydrophobicContact CD1-CD1 3.38Å; F192-L245 HydrophobicContact CD1-CG 4.49Å; F192-L245 HydrophobicContact CE1-CD1 3.56Å; F192-L245 HydrophobicContact CG-CD1 4.24Å; F192-L259 HydrophobicContact CD1-CD1 4.41Å; F192-L259 HydrophobicContact CD2-CD1 4.23Å; F192-L259 HydrophobicContact CE1-CD1 3.86Å; F192-L259 HydrophobicContact CE2-CD1 3.69Å; F192-L259 HydrophobicContact CZ-CD1 3.48Å; F192-L259 VanDerWaalsContact CZ-CD1 3.48Å; F192-V262 HydrophobicContact CE1-CB 4.16Å; F192-V262 HydrophobicContact CE1-CG1 3.72Å; F192-V262 HydrophobicContact CZ-CB 4Å; F192-V262 HydrophobicContact CZ-CG1 3.55Å; F192-L263 HydrophobicContact CE2-CD2 3.73Å; F192-L263 HydrophobicContact CE2-CG 4.45Å; F192-L263 HydrophobicContact CZ-CD2 4.19Å; F192-I269 HydrophobicContact CD2-CG2 3.33Å; F192-I269 HydrophobicContact CE2-CB 4.49Å; F192-I269 HydrophobicContact CE2-CD1 3.98Å; F192-I269 HydrophobicContact CE2-CG1 4.07Å; F192-I269 HydrophobicContact CE2-CG2 3.59Å; F192-I269 HydrophobicContact CG-CG2 4.31Å; F192-I270 PolarHBondContact N-O 3.18Å; F192-Y271 HydrophobicContact CB-CD2 4.17Å; F192-R272 PolarHBondContact O-N 2.97Å
193	G	89.4	Confident	91.7	Very high	1 Å²	1	28 Å²	28	1%	0.01	17%	0.166	C	C	.	.			trans	154.8	171.5	-179.3	0	0	0	0	0	111.1	E197 G244	G193-E197 WeakPolarHBondContact CA-OE2 3.37Å; G193-G244 WeakPolarHBondContact O-CA 3.32Å
194	N	86.4	Confident	92.2	Very high	61 Å²	61	22 Å²	22	33%	0.326	13%	0.133	S	C	.	.	B	Isolated β-bridge	trans	-63.6	162.1	176	-61.7	-14.4	0	0	0	111.1	E197 K199 L246	N194-E197 HydrophobicContact CB-CG 3.9Å; N194-E197 WeakPolarHBondContact CB-OE2 3.41Å; N194-E197 PolarHBondContact N-OE2 2.96Å; N194-K199 PolarHBondContact O-NZ 2.87Å; N194-L246 HydrophobicContact CB-CB 4.48Å; N194-L246 WeakPolarHBondContact OD1-CB 3.32Å; N194-L246 WeakPolarHBondContact OD1-CD1 3.1Å; N194-L246 WeakPolarHBondContact OD1-CG 3.44Å
195	T	84.7	Confident	92.5	Very high	53 Å²	53	22.3 Å²	22.3	33%	0.325	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	136.9	166.7	-54.6	0	0	0	0	109.3
196	G	83.4	Confident	92.7	Very high	53 Å²	53	18.2 Å²	18.2	55%	0.546	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-1.5	179.4	0	0	0	0	0	116.6	G198	G196-G198 PolarHBondContact O-N 2.64Å
197	E	87.2	Confident	92.8	Very high	20 Å²	20	18.5 Å²	18.5	9%	0.093	12%	0.115	C	C	.	.	S	Bend	trans	-80.9	7	179.9	-73.6	-173	133.5	0	0	115.1	G193 N194 R272 T273 H274	G193-E197 WeakPolarHBondContact CA-OE2 3.37Å; N194-E197 HydrophobicContact CB-CG 3.9Å; N194-E197 WeakPolarHBondContact CB-OE2 3.41Å; N194-E197 PolarHBondContact N-OE2 2.96Å; E197-R272 HydrophobicContact CB-CG 4.27Å; E197-R272 WeakPolarHBondContact O-CG 3.22Å; E197-R272 PolarHBondContact O-NE 3.21Å; E197-T273 VanDerWaalsContact OE1-CA 3.31Å; E197-T273 WeakPolarHBondContact OE1-CA 3.37Å; E197-T273 WeakPolarHBondContact OE1-CB 3.33Å; E197-T273 PolarHBondContact OE1-OG1 2.95Å; E197-H274 PolarHBondContact OE1-N 2.7Å
198	G	90.1	Very high	92.8	Very high	28 Å²	28	18 Å²	18	29%	0.289	11%	0.113	S	C	.	.			trans	73.7	39.7	177.6	0	0	0	0	0	114.2	G196 T202	G196-G198 PolarHBondContact O-N 2.64Å; G198-T202 WeakPolarHBondContact O-CB 2.92Å; G198-T202 PolarHBondContact O-N 3.04Å; G198-T202 PolarHBondContact O-OG1 2.98Å
199	K	92.8	Very high	92.6	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.057	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-58.9	177.1	-64.8	-172	-61.9	-66.8	0	112.2	I191 N194 H201 T202 L203 T242 R272	I191-K199 HydrophobicContact CD1-CB 4.06Å; I191-K199 HydrophobicContact CD1-CG 4.42Å; I191-K199 HydrophobicContact CG1-CB 4.2Å; I191-K199 HydrophobicContact CG1-CG 4.23Å; I191-K199 HydrophobicContact CG2-CB 3.98Å; I191-K199 HydrophobicContact CG2-CD 4.47Å; N194-K199 PolarHBondContact O-NZ 2.87Å; K199-H201 VanDerWaalsContact C-N 3.27Å; K199-H201 PolarHBondContact O-N 2.92Å; K199-T202 WeakPolarHBondContact O-CA 3.5Å; K199-T202 WeakPolarHBondContact O-CB 3.44Å; K199-T202 PolarHBondContact O-N 2.84Å; K199-L203 PolarHBondContact O-N 3.35Å; K199-T242 WeakPolarHBondContact CE-O 3.3Å; K199-R272 HydrophobicContact CG-CB 4.33Å; K199-R272 HydrophobicContact CG-CG 4.47Å
200	S	94.8	Very high	92.3	Very high	10 Å²	10	24.6 Å²	24.6	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-39.5	178.6	-39.3	0	0	0	0	111.8	L203 N204 K215 T224 D241	S200-L203 PolarHBondContact O-N 3.41Å; S200-N204 WeakPolarHBondContact O-CB 3.41Å; S200-N204 PolarHBondContact O-N 3.11Å; S200-N204 PolarHBondContact O-ND2 3.35Å; S200-K215 WeakPolarHBondContact CB-O 3.27Å; S200-T224 PolarHBondContact OG-OG1 2.91Å; S200-T224 VanDerWaalsContact OG-OG1 3.08Å; S200-D241 WeakPolarHBondContact CB-OD2 3.31Å; S200-D241 PolarHBondContact OG-OD2 2.66Å
201	H	93.8	Very high	92.1	Very high	66 Å²	66	28.4 Å²	28.4	31%	0.306	17%	0.167	S	C	.	.	H	α-helix	trans	-60.3	-47.3	172.7	177.3	-89.1	0	0	0	112	K199 L203 N204 H205 T216 F377	K199-H201 VanDerWaalsContact C-N 3.27Å; K199-H201 PolarHBondContact O-N 2.92Å; H201-L203 VanDerWaalsContact C-N 3.34Å; H201-L203 PolarHBondContact O-N 3.3Å; H201-N204 PolarHBondContact O-N 3.15Å; H201-H205 AromaticContact CD2-CD2 3.66Å; H201-H205 AromaticContact CD2-NE2 3.73Å; H201-H205 AromaticContact CE1-CD2 3.55Å; H201-H205 AromaticContact CE1-NE2 3.82Å; H201-H205 AromaticContact CG-CD2 3.98Å; H201-H205 AromaticContact ND1-CD2 3.91Å; H201-H205 AromaticContact NE2-CD2 3.39Å; H201-H205 PolarHBondContact NE2-CD2 3.11Å; H201-H205 AromaticContact NE2-NE2 3.27Å; H201-H205 PolarHBondContact NE2-NE2 3.21Å; H201-H205 PolarHBondContact O-CD2 2.91Å; H201-H205 VanDerWaalsContact O-CD2 3.29Å; H201-H205 PolarHBondContact O-N 3Å; H201-T216 HydrophobicContact CB-CG2 4.16Å; H201-F377 AromaticContact CE1-CE2 3.97Å; H201-F377 AromaticContact CE1-CZ 3.77Å; H201-F377 AromaticContact ND1-CZ 3.79Å
202	T	95.4	Very high	92	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-45.9	176.7	-61.3	0	0	0	0	111.2	I191 G198 K199 H205 T206 R272 F324 F377 L380	I191-T202 HydrophobicContact CD1-CG2 3.96Å; G198-T202 WeakPolarHBondContact O-CB 2.92Å; G198-T202 PolarHBondContact O-N 3.04Å; G198-T202 PolarHBondContact O-OG1 2.98Å; K199-T202 WeakPolarHBondContact O-CA 3.5Å; K199-T202 WeakPolarHBondContact O-CB 3.44Å; K199-T202 PolarHBondContact O-N 2.84Å; T202-H205 PolarHBondContact O-N 3.46Å; T202-T206 WeakPolarHBondContact O-CB 3.37Å; T202-T206 PolarHBondContact O-N 2.88Å; T202-T206 PolarHBondContact O-OG1 2.79Å; T202-R272 PolarHBondContact OG1-NE 2.9Å; T202-F324 HydrophobicContact CG2-CD1 3.74Å; T202-F324 HydrophobicContact CG2-CE1 3.73Å; T202-F377 HydrophobicContact CG2-CD1 4.46Å; T202-F377 HydrophobicContact CG2-CE1 4.05Å; T202-L380 HydrophobicContact CG2-CD2 3.99Å
203	L	96.7	Very high	92.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-46	178.5	-68.4	-179.2	0	0	0	112.5	I191 K199 S200 H201 H205 T206 F207 F214 V239 D241 I270	I191-L203 HydrophobicContact CB-CD1 4.26Å; I191-L203 HydrophobicContact CB-CD2 4.02Å; I191-L203 HydrophobicContact CB-CG 4.21Å; I191-L203 HydrophobicContact CD1-CD2 4.07Å; I191-L203 HydrophobicContact CD1-CG 4.02Å; I191-L203 HydrophobicContact CG2-CD1 3.46Å; I191-L203 VanDerWaalsContact CG2-CD1 3.46Å; I191-L203 HydrophobicContact CG2-CD2 4.15Å; I191-L203 HydrophobicContact CG2-CG 3.84Å; K199-L203 PolarHBondContact O-N 3.35Å; S200-L203 PolarHBondContact O-N 3.41Å; H201-L203 VanDerWaalsContact C-N 3.34Å; H201-L203 PolarHBondContact O-N 3.3Å; L203-H205 PolarHBondContact O-N 3.37Å; L203-T206 PolarHBondContact O-N 3.27Å; L203-F207 HydrophobicContact CD2-CD2 3.96Å; L203-F207 HydrophobicContact CD2-CE2 3.75Å; L203-F207 PolarHBondContact O-N 3.11Å; L203-F214 HydrophobicContact CB-CD2 3.87Å; L203-F214 HydrophobicContact CB-CE2 4.04Å; L203-F214 HydrophobicContact CD1-CD2 3.98Å; L203-F214 HydrophobicContact CD1-CE2 3.8Å; L203-F214 HydrophobicContact CD1-CZ 4.33Å; L203-V239 HydrophobicContact CB-CG1 4.32Å; L203-V239 HydrophobicContact CD1-CG1 3.79Å; L203-V239 HydrophobicContact CD2-CG1 3.62Å; L203-V239 HydrophobicContact CG-CG1 4.11Å; L203-D241 HydrophobicContact CD1-CB 3.6Å; L203-I270 HydrophobicContact CD2-CD1 4.43Å
204	N	95.8	Very high	92.4	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-57.2	-47.2	177.3	-72.8	-21.6	0	0	0	112	S200 H201 F208 M209 G210 R211 V213 F214	S200-N204 WeakPolarHBondContact O-CB 3.41Å; S200-N204 PolarHBondContact O-N 3.11Å; S200-N204 PolarHBondContact O-ND2 3.35Å; H201-N204 PolarHBondContact O-N 3.15Å; N204-F208 CarbonylContact O-C 3.46Å; N204-F208 VanDerWaalsContact O-CA 3.29Å; N204-F208 WeakPolarHBondContact O-CA 3.45Å; N204-F208 WeakPolarHBondContact O-CB 3.48Å; N204-F208 PolarHBondContact O-N 3.18Å; N204-M209 PolarHBondContact O-N 2.8Å; N204-G210 WeakPolarHBondContact O-CA 3.43Å; N204-G210 PolarHBondContact O-N 2.91Å; N204-R211 VanDerWaalsContact CB-O 3.28Å; N204-R211 WeakPolarHBondContact CB-O 3.49Å; N204-R211 PolarHBondContact OD1-O 3.36Å; N204-V213 PolarHBondContact OD1-N 2.91Å; N204-V213 VanDerWaalsContact OD1-N 3.1Å; N204-F214 PolarHBondContact ND2-O 2.89Å; N204-F214 PolarHBondContact OD1-N 3.08Å
205	H	94.7	Very high	92.5	Very high	57 Å²	57	38.6 Å²	38.6	26%	0.264	21%	0.211	S	C	.	.	H	α-helix	trans	-72.8	-33.2	179.5	-80.7	-90.1	0	0	0	113.4	H201 T202 L203 F377 Q381	H201-H205 AromaticContact CD2-CD2 3.66Å; H201-H205 AromaticContact CD2-NE2 3.73Å; H201-H205 AromaticContact CE1-CD2 3.55Å; H201-H205 AromaticContact CE1-NE2 3.82Å; H201-H205 AromaticContact CG-CD2 3.98Å; H201-H205 AromaticContact ND1-CD2 3.91Å; H201-H205 AromaticContact NE2-CD2 3.39Å; H201-H205 PolarHBondContact NE2-CD2 3.11Å; H201-H205 AromaticContact NE2-NE2 3.27Å; H201-H205 PolarHBondContact NE2-NE2 3.21Å; H201-H205 PolarHBondContact O-CD2 2.91Å; H201-H205 VanDerWaalsContact O-CD2 3.29Å; H201-H205 PolarHBondContact O-N 3Å; T202-H205 PolarHBondContact O-N 3.46Å; L203-H205 PolarHBondContact O-N 3.37Å; H205-F377 HydrophobicContact CB-CD1 4.28Å; H205-F377 HydrophobicContact CB-CD2 3.4Å; H205-F377 HydrophobicContact CB-CE1 4.3Å; H205-F377 HydrophobicContact CB-CE2 3.42Å; H205-F377 VanDerWaalsContact CB-CE2 3.42Å; H205-F377 HydrophobicContact CB-CG 3.84Å; H205-F377 HydrophobicContact CB-CZ 3.91Å; H205-F377 AromaticContact CG-CD2 3.92Å; H205-F377 AromaticContact CG-CE2 3.61Å; H205-Q381 PolarHBondContact O-NE2 2.93Å
206	T	95.1	Very high	92.6	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-76.3	-44.5	-177.7	-57.2	0	0	0	0	111.8	T202 L203 L380 Q381 L384	T202-T206 WeakPolarHBondContact O-CB 3.37Å; T202-T206 PolarHBondContact O-N 2.88Å; T202-T206 PolarHBondContact O-OG1 2.79Å; L203-T206 PolarHBondContact O-N 3.27Å; T206-L380 HydrophobicContact CG2-CD2 4.38Å; T206-Q381 HydrophobicContact CG2-CG 3.94Å; T206-Q381 PolarHBondContact O-NE2 3.2Å; T206-L384 HydrophobicContact CG2-CD1 3.49Å; T206-L384 VanDerWaalsContact CG2-CD1 3.49Å
207	F	95.5	Very high	92.3	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-112.2	-22.6	-170.2	-60.4	-64.7	0	0	0	114.2	V189 L203 D232 I237 V239 I270 L384	V189-F207 HydrophobicContact CB-CZ 4.44Å; V189-F207 HydrophobicContact CG1-CE2 4.16Å; V189-F207 HydrophobicContact CG1-CZ 3.96Å; V189-F207 HydrophobicContact CG2-CZ 4.46Å; L203-F207 HydrophobicContact CD2-CD2 3.96Å; L203-F207 HydrophobicContact CD2-CE2 3.75Å; L203-F207 PolarHBondContact O-N 3.11Å; F207-D232 WeakPolarHBondContact CD1-OD2 3.05Å; F207-I237 HydrophobicContact CD1-CD1 3.63Å; F207-I237 HydrophobicContact CE1-CD1 3.41Å; F207-I237 VanDerWaalsContact CE1-CD1 3.41Å; F207-I237 HydrophobicContact CG-CD1 4.33Å; F207-I237 HydrophobicContact CZ-CD1 3.94Å; F207-V239 HydrophobicContact CB-CG2 4.32Å; F207-V239 HydrophobicContact CD2-CG1 4Å; F207-V239 HydrophobicContact CD2-CG2 3.95Å; F207-V239 HydrophobicContact CE2-CG1 4.31Å; F207-V239 HydrophobicContact CE2-CG2 4.44Å; F207-V239 HydrophobicContact CG-CG2 4.06Å; F207-I270 HydrophobicContact CE2-CD1 4.12Å; F207-I270 HydrophobicContact CZ-CD1 4.27Å; F207-L384 HydrophobicContact CE1-CD1 4.38Å; F207-L384 HydrophobicContact CZ-CD1 3.84Å
208	F	95.3	Very high	91.4	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	24%	0.242	C	C	.	.	S	Bend	trans	-120.4	24.1	-170.3	-52.7	-70.5	0	0	0	113.3	L151 V154 N204 G210 R211 V213 F214 A230 D232 V239	L151-F208 HydrophobicContact CD2-CD1 4.11Å; V154-F208 HydrophobicContact CG1-CD1 4.11Å; V154-F208 HydrophobicContact CG1-CE1 3.73Å; N204-F208 CarbonylContact O-C 3.46Å; N204-F208 VanDerWaalsContact O-CA 3.29Å; N204-F208 WeakPolarHBondContact O-CA 3.45Å; N204-F208 WeakPolarHBondContact O-CB 3.48Å; N204-F208 PolarHBondContact O-N 3.18Å; F208-G210 PolarHBondContact O-N 2.8Å; F208-G210 VanDerWaalsContact O-N 3.13Å; F208-R211 VanDerWaalsContact O-CB 3.3Å; F208-R211 WeakPolarHBondContact O-CB 3.41Å; F208-R211 PolarHBondContact O-N 2.72Å; F208-V213 HydrophobicContact CB-CB 4.43Å; F208-V213 HydrophobicContact CB-CG2 3.75Å; F208-V213 HydrophobicContact CD1-CB 4.4Å; F208-V213 HydrophobicContact CD1-CG2 3.81Å; F208-V213 HydrophobicContact CD2-CB 3.98Å; F208-V213 HydrophobicContact CD2-CG1 4.39Å; F208-V213 HydrophobicContact CD2-CG2 4.12Å; F208-V213 HydrophobicContact CE1-CG1 4.48Å; F208-V213 HydrophobicContact CE2-CB 4.4Å; F208-V213 HydrophobicContact CE2-CG1 4.33Å; F208-V213 HydrophobicContact CG-CB 3.99Å; F208-V213 HydrophobicContact CG-CG2 3.59Å; F208-V213 HydrophobicContact CZ-CG1 4.37Å; F208-F214 HydrophobicContact CD2-CE2 4.49Å; F208-F214 HydrophobicContact CE2-CD2 4.24Å; F208-F214 AromaticContact CE2-CE2 3.69Å; F208-F214 HydrophobicContact CE2-CE2 3.69Å; F208-F214 HydrophobicContact CZ-CE2 4.4Å; F208-A230 HydrophobicContact CZ-CB 4.01Å; F208-D232 HydrophobicContact CE1-CB 3.99Å; F208-D232 HydrophobicContact CZ-CB 4.23Å; F208-V239 HydrophobicContact CE2-CB 4.34Å; F208-V239 HydrophobicContact CE2-CG1 4.35Å; F208-V239 HydrophobicContact CE2-CG2 4.22Å; F208-V239 HydrophobicContact CZ-CB 4.17Å; F208-V239 HydrophobicContact CZ-CG2 3.86Å
209	M	91.4	Very high	90.2	Very high	111 Å²	111	46.4 Å²	46.4	55%	0.547	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	32.4	178.6	-57.3	178.3	69.3	0	0	113.3	K147 L151 N204 R211	K147-M209 HydrophobicContact CB-SD 4.22Å; L151-M209 HydrophobicContact CD1-CB 4.35Å; L151-M209 HydrophobicContact CD1-CG 3.7Å; L151-M209 HydrophobicContact CD1-SD 3.72Å; N204-M209 PolarHBondContact O-N 2.8Å; M209-R211 VanDerWaalsContact C-N 3.28Å; M209-R211 PolarHBondContact O-N 3.09Å
210	G	90.9	Very high	88.7	Confident	29 Å²	29	54.3 Å²	54.3	30%	0.299	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	0.6	-178.1	0	0	0	0	0	114.5	N204 F208	N204-G210 WeakPolarHBondContact O-CA 3.43Å; N204-G210 PolarHBondContact O-N 2.91Å; F208-G210 PolarHBondContact O-N 2.8Å; F208-G210 VanDerWaalsContact O-N 3.13Å
211	R	93	Very high	87.2	Confident	80 Å²	80	60.9 Å²	60.9	30%	0.302	32%	0.315	S	S	.	.			trans	-70.2	138.8	175.2	-159.6	-176.8	69.4	-133.2	2.7	110.2	L151 V154 N204 F208 M209 V213	L151-R211 PolarHBondContact O-NH1 3.41Å; L151-R211 PolarHBondContact O-NH2 2.8Å; V154-R211 PolarHBondContact O-NH2 3.3Å; N204-R211 VanDerWaalsContact CB-O 3.28Å; N204-R211 WeakPolarHBondContact CB-O 3.49Å; N204-R211 PolarHBondContact OD1-O 3.36Å; F208-R211 VanDerWaalsContact O-CB 3.3Å; F208-R211 WeakPolarHBondContact O-CB 3.41Å; F208-R211 PolarHBondContact O-N 2.72Å; M209-R211 VanDerWaalsContact C-N 3.28Å; M209-R211 PolarHBondContact O-N 3.09Å; R211-V213 VanDerWaalsContact C-N 3.3Å; R211-V213 PolarHBondContact O-N 3Å
212	E	92.8	Very high	86	Confident	114 Å²	114	60 Å²	60	53%	0.533	32%	0.317	S	S	.	.			trans	-73	82.1	178.3	-164.8	174.6	-139.6	0	0	111.4	F214 T216	E212-F214 VanDerWaalsContact CG-O 3.26Å; E212-F214 WeakPolarHBondContact CG-O 3.47Å; E212-T216 PolarHBondContact OE1-N 3.35Å; E212-T216 PolarHBondContact OE1-OG1 3.42Å
213	V	95.3	Very high	84.8	Confident	10 Å²	10	62.8 Å²	62.8	6%	0.061	34%	0.335	C	S	.	.	S	Bend	trans	-85.5	-42.2	171.8	173.3	0	0	0	0	109.8	V154 S156 N204 F208 R211 A230	V154-V213 HydrophobicContact CG1-CG1 4.05Å; V154-V213 HydrophobicContact CG1-CG2 4.36Å; S156-V213 VanDerWaalsContact CB-O 3.29Å; S156-V213 WeakPolarHBondContact CB-O 3.46Å; S156-V213 PolarHBondContact OG-O 2.87Å; N204-V213 PolarHBondContact OD1-N 2.91Å; N204-V213 VanDerWaalsContact OD1-N 3.1Å; F208-V213 HydrophobicContact CB-CB 4.43Å; F208-V213 HydrophobicContact CB-CG2 3.75Å; F208-V213 HydrophobicContact CD1-CB 4.4Å; F208-V213 HydrophobicContact CD1-CG2 3.81Å; F208-V213 HydrophobicContact CD2-CB 3.98Å; F208-V213 HydrophobicContact CD2-CG1 4.39Å; F208-V213 HydrophobicContact CD2-CG2 4.12Å; F208-V213 HydrophobicContact CE1-CG1 4.48Å; F208-V213 HydrophobicContact CE2-CB 4.4Å; F208-V213 HydrophobicContact CE2-CG1 4.33Å; F208-V213 HydrophobicContact CG-CB 3.99Å; F208-V213 HydrophobicContact CG-CG2 3.59Å; F208-V213 HydrophobicContact CZ-CG1 4.37Å; R211-V213 VanDerWaalsContact C-N 3.3Å; R211-V213 PolarHBondContact O-N 3Å; V213-A230 HydrophobicContact CG1-CB 3.64Å
214	F	94.7	Very high	83.7	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.009	34%	0.338	C	S	.	.	S	Bend	trans	-98.5	135.8	167	-60.1	-75.4	0	0	0	109.5	L203 N204 F208 E212 W228 A230 V239 D241	L203-F214 HydrophobicContact CB-CD2 3.87Å; L203-F214 HydrophobicContact CB-CE2 4.04Å; L203-F214 HydrophobicContact CD1-CD2 3.98Å; L203-F214 HydrophobicContact CD1-CE2 3.8Å; L203-F214 HydrophobicContact CD1-CZ 4.33Å; N204-F214 PolarHBondContact ND2-O 2.89Å; N204-F214 PolarHBondContact OD1-N 3.08Å; F208-F214 HydrophobicContact CD2-CE2 4.49Å; F208-F214 HydrophobicContact CE2-CD2 4.24Å; F208-F214 AromaticContact CE2-CE2 3.69Å; F208-F214 HydrophobicContact CE2-CE2 3.69Å; F208-F214 HydrophobicContact CZ-CE2 4.4Å; E212-F214 VanDerWaalsContact CG-O 3.26Å; E212-F214 WeakPolarHBondContact CG-O 3.47Å; F214-W228 HydrophobicContact CD1-CB 3.97Å; F214-W228 HydrophobicContact CE1-CB 3.88Å; F214-A230 HydrophobicContact CE1-CB 4.12Å; F214-A230 HydrophobicContact CE2-CB 4.1Å; F214-A230 HydrophobicContact CZ-CB 3.55Å; F214-V239 HydrophobicContact CE2-CB 4.26Å; F214-V239 HydrophobicContact CE2-CG1 3.76Å; F214-V239 HydrophobicContact CZ-CB 4.23Å; F214-V239 HydrophobicContact CZ-CG1 4.02Å; F214-D241 HydrophobicContact CD1-CB 3.56Å; F214-D241 HydrophobicContact CD2-CB 4.47Å; F214-D241 HydrophobicContact CE1-CB 3.66Å; F214-D241 HydrophobicContact CG-CB 3.99Å; F214-D241 HydrophobicContact CZ-CB 4.16Å
215	K	89.6	Confident	82.9	Confident	152 Å²	152	65.9 Å²	65.9	66%	0.661	35%	0.354	S	S	*	.			trans	-63.8	139.8	-177.9	-68.6	-175.2	177.4	179.7	0	111.4	S200	S200-K215 WeakPolarHBondContact CB-O 3.27Å
216	T	86.2	Confident	82.5	Confident	60 Å²	60	63.2 Å²	63.2	37%	0.368	34%	0.342	S	S	.	.			trans	-120.2	152.3	176.7	62.1	0	0	0	0	110.9	H201 E212	H201-T216 HydrophobicContact CB-CG2 4.16Å; E212-T216 PolarHBondContact OE1-N 3.35Å; E212-T216 PolarHBondContact OE1-OG1 3.42Å
217	S	77	Confident	82.3	Confident	51 Å²	51	63.2 Å²	63.2	36%	0.357	34%	0.342	S	S	.	.			trans	-133.6	144.9	168.6	-171.3	0	0	0	0	109.7	T219 C223	S217-T219 PolarHBondContact O-N 2.89Å; S217-T219 PolarHBondContact OG-N 3.05Å; S217-T219 VanDerWaalsContact OG-N 3.15Å; S217-T219 PolarHBondContact OG-OG1 3.13Å; S217-C223 WeakPolarHBondContact CB-SG 3.43Å; S217-C223 PolarHBondContact N-SG 2.84Å
218	P	67.8	Low	82.2	Confident	139 Å²	139	66.1 Å²	66.1	90%	0.903	35%	0.353	S	S	*	.	S	Bend	trans	-75	-9.6	167.5	32	-35.7	0	0	0	113.1
219	T	65.7	Low	82.3	Confident	68 Å²	68	66.1 Å²	66.1	42%	0.417	35%	0.352	S	S	.	.	S	Bend	trans	-83.5	154	178	63.2	0	0	0	0	111.8	S217 E221	S217-T219 PolarHBondContact O-N 2.89Å; S217-T219 PolarHBondContact OG-N 3.05Å; S217-T219 VanDerWaalsContact OG-N 3.15Å; S217-T219 PolarHBondContact OG-OG1 3.13Å; T219-E221 PolarHBondContact O-N 3.35Å
220	Q	61.5	Low	82.5	Confident	179 Å²	179	60.8 Å²	60.8	84%	0.836	33%	0.326	S	S	*	.	S	Bend	trans	-77.4	4.2	175.4	-68.5	-175.1	-16.8	0	0	113.6
221	E	63.5	Low	82.8	Confident	148 Å²	148	60.4 Å²	60.4	69%	0.692	32%	0.316	S	S	*	.	S	Bend	trans	-76	147.7	174.3	-64	176.8	174.4	0	0	110.2	T219 C223	T219-E221 PolarHBondContact O-N 3.35Å; E221-C223 PolarHBondContact O-N 3.11Å; E221-C223 PolarHBondContact O-SG 3.11Å; E221-C223 VanDerWaalsContact O-SG 3.38Å
222	S	67.5	Low	82.9	Confident	48 Å²	48	56.6 Å²	56.6	34%	0.336	30%	0.302	S	S	.	.			trans	-65.7	110.5	-178.6	-159.5	0	0	0	0	110.5	T224	S222-T224 PolarHBondContact OG-O 3.02Å
223	C	70.7	Confident	82.9	Confident	57 Å²	57	52.6 Å²	52.6	39%	0.385	29%	0.286	S	S	.	.			trans	-79.4	-27.8	176.6	-23.2	0	0	0	0	111.6	S217 E221	S217-C223 WeakPolarHBondContact CB-SG 3.43Å; S217-C223 PolarHBondContact N-SG 2.84Å; E221-C223 PolarHBondContact O-N 3.11Å; E221-C223 PolarHBondContact O-SG 3.11Å; E221-C223 VanDerWaalsContact O-SG 3.38Å
224	T	72.9	Confident	82.7	Confident	11 Å²	11	54.6 Å²	54.6	7%	0.067	30%	0.295	C	S	.	.			trans	-101.1	117.1	177.8	-45.5	0	0	0	0	108.1	S200 S222 W228 D241 E243	S200-T224 PolarHBondContact OG-OG1 2.91Å; S200-T224 VanDerWaalsContact OG-OG1 3.08Å; S222-T224 PolarHBondContact OG-O 3.02Å; T224-W228 HydrophobicContact CG2-CG 4.43Å; T224-D241 WeakPolarHBondContact CG2-OD2 3.28Å; T224-D241 PolarHBondContact OG1-OD2 3.44Å; T224-D241 VanDerWaalsContact OG1-OD2 3.04Å; T224-E243 WeakPolarHBondContact O-CG 3.3Å
225	V	79.8	Confident	82.5	Confident	59 Å²	59	57 Å²	57	36%	0.358	31%	0.307	S	S	.	.			trans	-108.3	127.8	170.1	177	0	0	0	0	107.3	E162 W228	E162-V225 HydrophobicContact CB-CG1 3.72Å; E162-V225 HydrophobicContact CG-CG1 4.48Å; E162-V225 VanDerWaalsContact OE2-CG1 3.31Å; E162-V225 WeakPolarHBondContact OE2-CG1 3.25Å; V225-W228 PolarHBondContact O-NE1 3.49Å
226	G	85.5	Confident	82.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	74	-151.2	-175.4	0	0	0	0	0	114.1	V160 E243	V160-G226 CarbonylContact O-C 3.53Å; V160-G226 VanDerWaalsContact O-CA 3.31Å; V160-G226 WeakPolarHBondContact O-CA 3.44Å; G226-E243 PolarHBondContact N-OE2 3.31Å; G226-E243 WeakPolarHBondContact O-CB 3.38Å; G226-E243 PolarHBondContact O-N 2.89Å
227	V	91.1	Very high	83.2	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.5	-179.5	178.1	0	0	0	0	109.8	L159 V160 I240 D241 T242 L258 V262	L159-V227 WeakPolarHBondContact CA-O 3.46Å; L159-V227 WeakPolarHBondContact CB-O 3.44Å; L159-V227 HydrophobicContact CD2-CG1 4.45Å; L159-V227 PolarHBondContact N-O 2.78Å; V160-V227 HydrophobicContact CB-CB 4.06Å; V160-V227 HydrophobicContact CB-CG2 4.44Å; V160-V227 HydrophobicContact CG2-CB 4.34Å; V160-V227 PolarHBondContact N-O 3.1Å; V160-V227 VanDerWaalsContact N-O 3.13Å; V160-V227 PolarHBondContact O-N 3.16Å; V227-I240 HydrophobicContact CG1-CG2 3.34Å; V227-D241 WeakPolarHBondContact CA-O 3.47Å; V227-T242 HydrophobicContact CG1-CG2 4.5Å; V227-T242 HydrophobicContact CG2-CG2 4.28Å; V227-L258 HydrophobicContact CG2-CD1 3.52Å; V227-L258 HydrophobicContact CG2-CD2 3.76Å; V227-L258 HydrophobicContact CG2-CG 3.82Å; V227-V262 HydrophobicContact CG1-CG2 4.49Å; V227-V262 HydrophobicContact CG2-CG2 4.36Å
228	W	94.6	Very high	84.1	Confident	68 Å²	68	50 Å²	50	26%	0.258	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.9	-178.8	-68.9	70.7	0	0	0	110.4	F157 L158 F214 T224 V225 I240 D241	F157-W228 VanDerWaalsContact O-CA 3.3Å; F157-W228 WeakPolarHBondContact O-CA 3.44Å; L158-W228 HydrophobicContact CB-CD2 4.34Å; L158-W228 HydrophobicContact CB-CE3 4.43Å; L158-W228 HydrophobicContact CB-CH2 4.04Å; L158-W228 HydrophobicContact CB-CZ2 3.95Å; L158-W228 HydrophobicContact CB-CZ3 4.29Å; L158-W228 HydrophobicContact CD1-CD2 4.25Å; L158-W228 HydrophobicContact CD1-CG 4.44Å; L158-W228 HydrophobicContact CD1-CZ2 3.9Å; L158-W228 HydrophobicContact CG-CZ2 4.43Å; F214-W228 HydrophobicContact CD1-CB 3.97Å; F214-W228 HydrophobicContact CE1-CB 3.88Å; T224-W228 HydrophobicContact CG2-CG 4.43Å; V225-W228 PolarHBondContact O-NE1 3.49Å; W228-I240 CarbonylContact O-C 3.51Å; W228-I240 WeakPolarHBondContact O-CA 3.48Å; W228-D241 HydrophobicContact CB-CB 4.37Å; W228-D241 PolarHBondContact N-O 3.19Å; W228-D241 PolarHBondContact O-N 3.15Å
229	A	96.4	Very high	85.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.8	178	0	0	0	0	0	111.3	S156 F157 L159 V238 V239	S156-A229 CarbonylContact C-O 3.55Å; S156-A229 WeakPolarHBondContact CA-O 3.29Å; F157-A229 VanDerWaalsContact CD1-O 3.32Å; F157-A229 WeakPolarHBondContact CD1-O 3.46Å; F157-A229 HydrophobicContact CE1-CB 3.86Å; F157-A229 HydrophobicContact CE2-CB 4.48Å; F157-A229 HydrophobicContact CZ-CB 3.82Å; F157-A229 PolarHBondContact N-O 3.02Å; F157-A229 PolarHBondContact O-N 3.42Å; L159-A229 HydrophobicContact CB-CB 4.36Å; L159-A229 HydrophobicContact CD2-CB 4.32Å; A229-V238 HydrophobicContact CB-CG1 4.37Å; A229-V239 CarbonylContact C-O 3.56Å; A229-V239 VanDerWaalsContact CA-O 3.3Å; A229-V239 WeakPolarHBondContact CA-O 3.32Å
230	A	97	Very high	87	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.2	172	0	0	0	0	0	110.3	V154 F208 V213 F214 V239	V154-A230 HydrophobicContact CG1-CB 4.43Å; F208-A230 HydrophobicContact CZ-CB 4.01Å; V213-A230 HydrophobicContact CG1-CB 3.64Å; F214-A230 HydrophobicContact CE1-CB 4.12Å; F214-A230 HydrophobicContact CE2-CB 4.1Å; F214-A230 HydrophobicContact CZ-CB 3.55Å; A230-V239 PolarHBondContact N-O 3.08Å; A230-V239 PolarHBondContact O-N 2.95Å
231	F	96.1	Very high	88.6	Confident	21 Å²	21	31.9 Å²	31.9	9%	0.092	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.2	176.3	173.6	-129.4	0	0	0	110.9	V154 L178 C180 L186 P233 I237	V154-F231 WeakPolarHBondContact CG1-O 3.45Å; V154-F231 WeakPolarHBondContact CG2-O 3.29Å; L178-F231 HydrophobicContact CB-CB 4.23Å; L178-F231 HydrophobicContact CD2-CB 3.93Å; L178-F231 WeakPolarHBondContact O-CB 2.95Å; C180-F231 HydrophobicContact CB-CD1 3.74Å; C180-F231 HydrophobicContact CB-CD2 4.4Å; C180-F231 HydrophobicContact CB-CE1 3.81Å; C180-F231 HydrophobicContact CB-CE2 4.49Å; C180-F231 HydrophobicContact CB-CG 4.05Å; C180-F231 HydrophobicContact CB-CZ 4.2Å; L186-F231 HydrophobicContact CD1-CE2 4.48Å; L186-F231 HydrophobicContact CD2-CD2 4.15Å; L186-F231 HydrophobicContact CD2-CE2 3.43Å; L186-F231 VanDerWaalsContact CD2-CE2 3.43Å; L186-F231 HydrophobicContact CD2-CZ 4.26Å; F231-P233 HydrophobicContact CD1-CB 4.47Å; F231-P233 HydrophobicContact CE1-CB 3.79Å; F231-P233 HydrophobicContact CZ-CB 4.04Å; F231-P233 WeakPolarHBondContact O-CD 3.36Å; F231-I237 WeakPolarHBondContact CD2-O 3.42Å
232	D	95.1	Very high	89.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.7	169	176.4	0	0	0	0	110.1	F207 F208 I234 H235 K236 I237 V239	F207-D232 WeakPolarHBondContact CD1-OD2 3.05Å; F208-D232 HydrophobicContact CE1-CB 3.99Å; F208-D232 HydrophobicContact CZ-CB 4.23Å; D232-I234 VanDerWaalsContact C-N 3.3Å; D232-I234 PolarHBondContact O-N 2.72Å; D232-I234 WeakPolarHBondContact OD1-CB 3.4Å; D232-I234 PolarHBondContact OD1-N 3.42Å; D232-H235 PolarHBondContact OD1-N 3.1Å; D232-H235 IonicContact OD1-ND1 3.61Å; D232-H235 IonicContact OD2-CE1 2.79Å; D232-H235 IonicContact OD2-CG 2.84Å; D232-H235 IonicContact OD2-ND1 3.16Å; D232-H235 PolarHBondContact OD2-ND1 3.25Å; D232-K236 VanDerWaalsContact O-CA 3.3Å; D232-K236 WeakPolarHBondContact O-CA 2.83Å; D232-K236 PolarHBondContact O-N 3Å; D232-I237 HydrophobicContact CB-CD1 4.4Å; D232-I237 HydrophobicContact CB-CG1 3.72Å; D232-I237 PolarHBondContact N-O 3.36Å; D232-I237 PolarHBondContact O-N 2.96Å; D232-I237 VanDerWaalsContact O-N 3.16Å; D232-V239 HydrophobicContact CB-CG2 4.16Å
233	P	92.1	Very high	90.8	Very high	29 Å²	29	24.9 Å²	24.9	19%	0.188	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.9	-179	30.1	-35.7	0	0	0	113.9	L150 L151 V154 F231	L150-P233 HydrophobicContact CB-CG 4.08Å; L151-P233 HydrophobicContact CD2-CG 4.09Å; V154-P233 HydrophobicContact CG2-CG 4.22Å; F231-P233 HydrophobicContact CD1-CB 4.47Å; F231-P233 HydrophobicContact CE1-CB 3.79Å; F231-P233 HydrophobicContact CZ-CB 4.04Å; F231-P233 WeakPolarHBondContact O-CD 3.36Å
234	I	91.1	Very high	91.1	Very high	52 Å²	52	22.2 Å²	22.2	27%	0.267	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-53	-177.8	-60.4	175.5	0	0	0	109	K147 L151 D232	K147-I234 HydrophobicContact CB-CD1 3.97Å; K147-I234 HydrophobicContact CD-CD1 4.28Å; K147-I234 HydrophobicContact CG-CD1 4.07Å; L151-I234 HydrophobicContact CD1-CD1 3.8Å; L151-I234 HydrophobicContact CD2-CD1 4.01Å; L151-I234 HydrophobicContact CD2-CG1 4.3Å; L151-I234 HydrophobicContact CG-CD1 3.89Å; D232-I234 VanDerWaalsContact C-N 3.3Å; D232-I234 PolarHBondContact O-N 2.72Å; D232-I234 WeakPolarHBondContact OD1-CB 3.4Å; D232-I234 PolarHBondContact OD1-N 3.42Å
235	H	91.8	Very high	90.9	Very high	52 Å²	52	22.3 Å²	22.3	24%	0.241	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.9	-178.8	-54.6	94.4	0	0	0	113	D232 I237 E385	D232-H235 PolarHBondContact OD1-N 3.1Å; D232-H235 IonicContact OD1-ND1 3.61Å; D232-H235 IonicContact OD2-CE1 2.79Å; D232-H235 IonicContact OD2-CG 2.84Å; D232-H235 IonicContact OD2-ND1 3.16Å; D232-H235 PolarHBondContact OD2-ND1 3.25Å; H235-I237 HydrophobicContact CB-CD1 4.13Å; H235-I237 HydrophobicContact CB-CG1 4.1Å; H235-I237 HydrophobicContact CB-CG2 4.29Å; H235-E385 IonicContact NE2-OE1 2.65Å
236	K	93.7	Very high	90	Very high	111 Å²	111	21.4 Å²	21.4	48%	0.483	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	53.7	-177.1	-61.7	165.9	172.1	178.4	0	111.2	L186 K187 D232	L186-K236 WeakPolarHBondContact CA-O 3.49Å; L186-K236 VanDerWaalsContact CD2-C 3.45Å; L186-K236 HydrophobicContact CD2-CB 4.1Å; L186-K236 VanDerWaalsContact CD2-O 3.27Å; L186-K236 WeakPolarHBondContact CD2-O 3.31Å; K187-K236 PolarHBondContact N-O 3.48Å; D232-K236 VanDerWaalsContact O-CA 3.3Å; D232-K236 WeakPolarHBondContact O-CA 2.83Å; D232-K236 PolarHBondContact O-N 3Å
237	I	95.9	Very high	88.5	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.2	-178.8	62.5	176.5	0	0	0	112.2	K187 V189 F207 F231 D232 H235 V239 L388	K187-I237 HydrophobicContact CB-CG2 4.06Å; K187-I237 CarbonylContact O-C 3.52Å; K187-I237 WeakPolarHBondContact O-CA 3.43Å; K187-I237 WeakPolarHBondContact O-CB 3.31Å; V189-I237 HydrophobicContact CB-CD1 4.3Å; V189-I237 HydrophobicContact CG2-CB 4.42Å; V189-I237 HydrophobicContact CG2-CD1 3.69Å; V189-I237 HydrophobicContact CG2-CG2 4.47Å; F207-I237 HydrophobicContact CD1-CD1 3.63Å; F207-I237 HydrophobicContact CE1-CD1 3.41Å; F207-I237 VanDerWaalsContact CE1-CD1 3.41Å; F207-I237 HydrophobicContact CG-CD1 4.33Å; F207-I237 HydrophobicContact CZ-CD1 3.94Å; F231-I237 WeakPolarHBondContact CD2-O 3.42Å; D232-I237 HydrophobicContact CB-CD1 4.4Å; D232-I237 HydrophobicContact CB-CG1 3.72Å; D232-I237 PolarHBondContact N-O 3.36Å; D232-I237 PolarHBondContact O-N 2.96Å; D232-I237 VanDerWaalsContact O-N 3.16Å; H235-I237 HydrophobicContact CB-CD1 4.13Å; H235-I237 HydrophobicContact CB-CG1 4.1Å; H235-I237 HydrophobicContact CB-CG2 4.29Å; I237-V239 HydrophobicContact CD1-CG2 3.84Å; I237-V239 HydrophobicContact CG1-CG2 3.93Å; I237-L388 HydrophobicContact CD1-CD1 4.13Å; I237-L388 HydrophobicContact CG2-CD1 4.05Å; I237-L388 HydrophobicContact CG2-CD2 3.99Å
238	V	96.9	Very high	86.4	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.2	162.5	-177.9	0	0	0	0	107.5	L178 L186 K187 V188 V189 A229 I240 L399 I402	L178-V238 HydrophobicContact CD1-CG2 4.24Å; L178-V238 HydrophobicContact CD2-CG1 4.28Å; L186-V238 HydrophobicContact CD1-CG2 3.84Å; K187-V238 PolarHBondContact O-N 3.36Å; V188-V238 CarbonylContact C-O 3.56Å; V188-V238 WeakPolarHBondContact CA-O 3.39Å; V188-V238 HydrophobicContact CG2-CB 4.4Å; V189-V238 PolarHBondContact N-O 2.79Å; A229-V238 HydrophobicContact CB-CG1 4.37Å; V238-I240 HydrophobicContact CG1-CG1 4.29Å; V238-L399 HydrophobicContact CG2-CD2 4.05Å; V238-I402 HydrophobicContact CG2-CD1 4.32Å
239	V	97.7	Very high	84.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.9	177	-174.3	0	0	0	0	108.5	V189 L203 F207 F208 F214 A229 A230 D232 I237	V189-V239 CarbonylContact O-C 3.51Å; V189-V239 WeakPolarHBondContact O-CA 3.32Å; L203-V239 HydrophobicContact CB-CG1 4.32Å; L203-V239 HydrophobicContact CD1-CG1 3.79Å; L203-V239 HydrophobicContact CD2-CG1 3.62Å; L203-V239 HydrophobicContact CG-CG1 4.11Å; F207-V239 HydrophobicContact CB-CG2 4.32Å; F207-V239 HydrophobicContact CD2-CG1 4Å; F207-V239 HydrophobicContact CD2-CG2 3.95Å; F207-V239 HydrophobicContact CE2-CG1 4.31Å; F207-V239 HydrophobicContact CE2-CG2 4.44Å; F207-V239 HydrophobicContact CG-CG2 4.06Å; F208-V239 HydrophobicContact CE2-CB 4.34Å; F208-V239 HydrophobicContact CE2-CG1 4.35Å; F208-V239 HydrophobicContact CE2-CG2 4.22Å; F208-V239 HydrophobicContact CZ-CB 4.17Å; F208-V239 HydrophobicContact CZ-CG2 3.86Å; F214-V239 HydrophobicContact CE2-CB 4.26Å; F214-V239 HydrophobicContact CE2-CG1 3.76Å; F214-V239 HydrophobicContact CZ-CB 4.23Å; F214-V239 HydrophobicContact CZ-CG1 4.02Å; A229-V239 CarbonylContact C-O 3.56Å; A229-V239 VanDerWaalsContact CA-O 3.3Å; A229-V239 WeakPolarHBondContact CA-O 3.32Å; A230-V239 PolarHBondContact N-O 3.08Å; A230-V239 PolarHBondContact O-N 2.95Å; D232-V239 HydrophobicContact CB-CG2 4.16Å; I237-V239 HydrophobicContact CD1-CG2 3.84Å; I237-V239 HydrophobicContact CG1-CG2 3.93Å
240	I	96.6	Very high	82.1	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.3	-179.3	-61.6	-176.5	0	0	0	109.4	V188 V189 S190 I191 V227 W228 V238 T242 V262 V265	V188-I240 HydrophobicContact CG1-CD1 3.45Å; V188-I240 VanDerWaalsContact CG1-CD1 3.45Å; V188-I240 HydrophobicContact CG1-CG1 4Å; V189-I240 PolarHBondContact O-N 2.92Å; S190-I240 WeakPolarHBondContact CA-O 3.47Å; I191-I240 PolarHBondContact N-O 2.98Å; I191-I240 VanDerWaalsContact N-O 3.11Å; V227-I240 HydrophobicContact CG1-CG2 3.34Å; W228-I240 CarbonylContact O-C 3.51Å; W228-I240 WeakPolarHBondContact O-CA 3.48Å; V238-I240 HydrophobicContact CG1-CG1 4.29Å; I240-T242 HydrophobicContact CG2-CG2 4.12Å; I240-V262 HydrophobicContact CG2-CG1 4.39Å; I240-V265 HydrophobicContact CD1-CG2 4.23Å
241	D	95.3	Very high	80.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.7	169.6	-168.5	35	0	0	0	109.5	I191 S200 L203 F214 T224 V227 W228	I191-D241 WeakPolarHBondContact CG2-OD1 3.3Å; S200-D241 WeakPolarHBondContact CB-OD2 3.31Å; S200-D241 PolarHBondContact OG-OD2 2.66Å; L203-D241 HydrophobicContact CD1-CB 3.6Å; F214-D241 HydrophobicContact CD1-CB 3.56Å; F214-D241 HydrophobicContact CD2-CB 4.47Å; F214-D241 HydrophobicContact CE1-CB 3.66Å; F214-D241 HydrophobicContact CG-CB 3.99Å; F214-D241 HydrophobicContact CZ-CB 4.16Å; T224-D241 WeakPolarHBondContact CG2-OD2 3.28Å; T224-D241 PolarHBondContact OG1-OD2 3.44Å; T224-D241 VanDerWaalsContact OG1-OD2 3.04Å; V227-D241 WeakPolarHBondContact CA-O 3.47Å; W228-D241 HydrophobicContact CB-CB 4.37Å; W228-D241 PolarHBondContact N-O 3.19Å; W228-D241 PolarHBondContact O-N 3.15Å
242	T	90.7	Very high	79.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.4	178	77	0	0	0	0	111.2	I191 F192 K199 V227 I240 V262	I191-T242 PolarHBondContact O-OG1 3.16Å; F192-T242 HydrophobicContact CD1-CG2 4.03Å; F192-T242 HydrophobicContact CE1-CG2 3.78Å; K199-T242 WeakPolarHBondContact CE-O 3.3Å; V227-T242 HydrophobicContact CG1-CG2 4.5Å; V227-T242 HydrophobicContact CG2-CG2 4.28Å; I240-T242 HydrophobicContact CG2-CG2 4.12Å; T242-V262 HydrophobicContact CG2-CG1 4.27Å; T242-V262 HydrophobicContact CG2-CG2 4.22Å
243	E	85.7	Confident	78.4	Confident	50 Å²	50	50.4 Å²	50.4	23%	0.234	29%	0.286	C	S	.	.			trans	-50.6	155.3	162.4	-177.9	172.6	160	0	0	111.5	T224 G226 L245	T224-E243 WeakPolarHBondContact O-CG 3.3Å; G226-E243 PolarHBondContact N-OE2 3.31Å; G226-E243 WeakPolarHBondContact O-CB 3.38Å; G226-E243 PolarHBondContact O-N 2.89Å; E243-L245 WeakPolarHBondContact O-CG 3.4Å; E243-L245 PolarHBondContact O-N 2.91Å
244	G	78.2	Confident	77.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.29	C	S	.	.			trans	-59.9	105.8	173.7	0	0	0	0	0	111.7	G193 L246	G193-G244 WeakPolarHBondContact O-CA 3.32Å; G244-L246 VanDerWaalsContact C-N 3.25Å; G244-L246 PolarHBondContact O-N 2.81Å
245	L	67.6	Low	76.9	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	29%	0.287	C	S	.	.			trans	-79	-8.5	-173.7	-64.5	178.1	0	0	0	113.6	F192 E243 R255 L258 L259 F285	F192-L245 HydrophobicContact CD1-CD1 3.38Å; F192-L245 HydrophobicContact CD1-CG 4.49Å; F192-L245 HydrophobicContact CE1-CD1 3.56Å; F192-L245 HydrophobicContact CG-CD1 4.24Å; E243-L245 WeakPolarHBondContact O-CG 3.4Å; E243-L245 PolarHBondContact O-N 2.91Å; L245-R255 WeakPolarHBondContact O-CD 3.4Å; L245-L258 HydrophobicContact CD2-CD2 4.06Å; L245-L259 HydrophobicContact CD1-CB 4.38Å; L245-L259 HydrophobicContact CD1-CD1 3.87Å; L245-F285 HydrophobicContact CB-CE2 4.38Å; L245-F285 HydrophobicContact CB-CZ 4.29Å; L245-F285 HydrophobicContact CD1-CZ 4.49Å
246	L	60.3	Low	76.3	Confident	40 Å²	40	51.6 Å²	51.6	21%	0.209	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-111.7	109.4	-174.5	-76	164.4	0	0	0	110.2	N194 G244 Y271 F285	N194-L246 HydrophobicContact CB-CB 4.48Å; N194-L246 WeakPolarHBondContact OD1-CB 3.32Å; N194-L246 WeakPolarHBondContact OD1-CD1 3.1Å; N194-L246 WeakPolarHBondContact OD1-CG 3.44Å; G244-L246 VanDerWaalsContact C-N 3.25Å; G244-L246 PolarHBondContact O-N 2.81Å; L246-Y271 HydrophobicContact CD1-CE2 3.98Å; L246-Y271 WeakPolarHBondContact CD1-OH 3.44Å; L246-F285 HydrophobicContact CD1-CB 4.47Å; L246-F285 HydrophobicContact CD1-CD1 4.23Å; L246-F285 HydrophobicContact CD1-CD2 4.32Å; L246-F285 HydrophobicContact CD1-CG 4.08Å; L246-F285 HydrophobicContact CD2-CB 3.83Å; L246-F285 HydrophobicContact CD2-CD2 3.35Å; L246-F285 HydrophobicContact CD2-CE2 4.02Å; L246-F285 HydrophobicContact CD2-CG 3.66Å; L246-F285 HydrophobicContact CG-CD2 3.9Å; L246-F285 HydrophobicContact CG-CE2 4.13Å; L246-F285 HydrophobicContact CG-CG 4.16Å
247	G	53.9	Low	75.8	Confident	48 Å²	48	47.9 Å²	47.9	50%	0.495	27%	0.272	S	S	.	.	S	Bend	trans	-179.4	151	178.7	0	0	0	0	0	111.8	S249 R255	G247-S249 VanDerWaalsContact C-N 3.26Å; G247-S249 PolarHBondContact O-N 2.86Å; G247-R255 VanDerWaalsContact N-NH1 3.17Å; G247-R255 PolarHBondContact O-NH1 2.96Å
248	N	47	Very low	75.2	Confident	186 Å²	186	48.5 Å²	48.5	100%	0.995	28%	0.275	S	S	*	.			trans	-82.2	63	-173	-146.4	21.2	0	0	0	111.9
249	S	51.9	Low	74.7	Confident	49 Å²	49	48.9 Å²	48.9	34%	0.343	28%	0.277	S	S	.	.			trans	-103.5	153.2	-177.8	87.3	0	0	0	0	112.4	G247 K251 R255	G247-S249 VanDerWaalsContact C-N 3.26Å; G247-S249 PolarHBondContact O-N 2.86Å; S249-K251 PolarHBondContact O-N 2.85Å; S249-K251 PolarHBondContact OG-N 2.82Å; S249-R255 PolarHBondContact OG-NH2 2.79Å
250	S	49.6	Very low	74.2	Confident	126 Å²	126	48.9 Å²	48.9	88%	0.881	28%	0.277	S	S	*	.	S	Bend	trans	-62.5	-4.8	177.4	52.9	0	0	0	0	115.3
251	K	65.8	Low	73.8	Confident	103 Å²	103	49.1 Å²	49.1	45%	0.448	28%	0.278	S	S	.	.			trans	-109.6	40.7	-172.5	-56.4	-160	-169.4	174	0	113.6	S249 G253 Q254 R255	S249-K251 PolarHBondContact O-N 2.85Å; S249-K251 PolarHBondContact OG-N 2.82Å; K251-G253 VanDerWaalsContact C-N 3.31Å; K251-G253 PolarHBondContact O-N 3.24Å; K251-Q254 HydrophobicContact CB-CB 4.2Å; K251-Q254 HydrophobicContact CB-CG 3.94Å; K251-Q254 HydrophobicContact CD-CG 4.36Å; K251-Q254 WeakPolarHBondContact O-CB 3.4Å; K251-Q254 PolarHBondContact O-N 2.77Å; K251-Q254 VanDerWaalsContact O-N 3.11Å; K251-R255 PolarHBondContact O-N 3.1Å
252	Q	68.3	Low	73.5	Confident	150 Å²	150	49.3 Å²	49.3	70%	0.701	28%	0.279	S	S	*	.	H	α-helix	trans	-57.4	-38.8	-176.2	-168.8	174.1	5	0	0	113.6	Q254 R255 T256	Q252-Q254 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 2.94Å; Q252-R255 PolarHBondContact O-N 3.37Å; Q252-T256 PolarHBondContact O-N 2.98Å; Q252-T256 VanDerWaalsContact O-N 3.14Å; Q252-T256 PolarHBondContact O-OG1 3.04Å
253	G	75.4	Confident	73.5	Confident	39 Å²	39	49.4 Å²	49.4	40%	0.402	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-36.8	177.2	0	0	0	0	0	113.5	K251 T256 R257	K251-G253 VanDerWaalsContact C-N 3.31Å; K251-G253 PolarHBondContact O-N 3.24Å; G253-T256 PolarHBondContact O-N 3.14Å; G253-R257 WeakPolarHBondContact O-CG 3.3Å; G253-R257 PolarHBondContact O-N 3.11Å; G253-R257 VanDerWaalsContact O-N 3.1Å
254	Q	75.3	Confident	73.5	Confident	56 Å²	56	47.1 Å²	47.1	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-47	178.5	-61.5	-154.6	-35.7	0	0	111.9	E164 K251 Q252 R257 L258	E164-Q254 WeakPolarHBondContact OE1-CA 3.31Å; E164-Q254 WeakPolarHBondContact OE1-CB 3.39Å; E164-Q254 VanDerWaalsContact OE1-CD 3.32Å; E164-Q254 WeakPolarHBondContact OE1-CG 3.34Å; K251-Q254 HydrophobicContact CB-CB 4.2Å; K251-Q254 HydrophobicContact CB-CG 3.94Å; K251-Q254 HydrophobicContact CD-CG 4.36Å; K251-Q254 WeakPolarHBondContact O-CB 3.4Å; K251-Q254 PolarHBondContact O-N 2.77Å; K251-Q254 VanDerWaalsContact O-N 3.11Å; Q252-Q254 VanDerWaalsContact C-N 3.31Å; Q252-Q254 PolarHBondContact O-N 2.94Å; Q254-R257 PolarHBondContact O-N 2.82Å; Q254-L258 PolarHBondContact O-N 2.92Å
255	R	76.9	Confident	74.1	Confident	56 Å²	56	47.1 Å²	47.1	21%	0.211	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-40	-179.8	-65.4	-177.7	176.3	174.4	-0.8	112.5	L245 G247 S249 K251 Q252 R257 L258 L259	L245-R255 WeakPolarHBondContact O-CD 3.4Å; G247-R255 VanDerWaalsContact N-NH1 3.17Å; G247-R255 PolarHBondContact O-NH1 2.96Å; S249-R255 PolarHBondContact OG-NH2 2.79Å; K251-R255 PolarHBondContact O-N 3.1Å; Q252-R255 PolarHBondContact O-N 3.37Å; R255-R257 VanDerWaalsContact C-N 3.33Å; R255-R257 PolarHBondContact O-N 2.82Å; R255-L258 PolarHBondContact O-N 3.34Å; R255-L259 WeakPolarHBondContact O-CB 3.26Å; R255-L259 PolarHBondContact O-N 3.33Å
256	T	79.4	Confident	75.4	Confident	46 Å²	46	46.5 Å²	46.5	28%	0.282	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-42	175.5	-57.5	0	0	0	0	111.1	Q252 G253 L259 L260 A292	Q252-T256 PolarHBondContact O-N 2.98Å; Q252-T256 VanDerWaalsContact O-N 3.14Å; Q252-T256 PolarHBondContact O-OG1 3.04Å; G253-T256 PolarHBondContact O-N 3.14Å; T256-L259 PolarHBondContact O-N 2.81Å; T256-L260 HydrophobicContact CG2-CD1 4.22Å; T256-L260 VanDerWaalsContact O-CG 3.25Å; T256-L260 WeakPolarHBondContact O-CG 3.44Å; T256-L260 PolarHBondContact O-N 3.5Å; T256-A292 HydrophobicContact CG2-CB 4.3Å
257	R	83.3	Confident	77	Confident	33 Å²	33	45.2 Å²	45.2	13%	0.125	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-46.5	176.7	-71.7	-174.3	-53.9	-108	1.9	111.9	E164 G253 Q254 R255 L259 L260 K261 F413 G415 I417	E164-R257 IonicContact OE1-CZ 2.89Å; E164-R257 IonicContact OE1-NE 2.73Å; E164-R257 IonicContact OE1-NH2 3.74Å; E164-R257 PolarHBondContact OE1-NH2 2.65Å; E164-R257 WeakPolarHBondContact OE2-CB 3.45Å; E164-R257 IonicContact OE2-CZ 2.89Å; E164-R257 IonicContact OE2-NE 3.91Å; E164-R257 PolarHBondContact OE2-NE 3.44Å; E164-R257 IonicContact OE2-NH2 3.78Å; E164-R257 PolarHBondContact OE2-NH2 2.79Å; G253-R257 WeakPolarHBondContact O-CG 3.3Å; G253-R257 PolarHBondContact O-N 3.11Å; G253-R257 VanDerWaalsContact O-N 3.1Å; Q254-R257 PolarHBondContact O-N 2.82Å; R255-R257 VanDerWaalsContact C-N 3.33Å; R255-R257 PolarHBondContact O-N 2.82Å; R257-L259 VanDerWaalsContact C-N 3.32Å; R257-L259 PolarHBondContact O-N 3.36Å; R257-L260 PolarHBondContact O-N 2.7Å; R257-K261 WeakPolarHBondContact O-CG 3.42Å; R257-K261 PolarHBondContact O-N 3.49Å; R257-F413 HydrophobicContact CB-CB 4.19Å; R257-F413 WeakPolarHBondContact CD-O 3.4Å; R257-F413 HydrophobicContact CG-CB 4.26Å; R257-F413 HydrophobicContact CG-CD1 4.43Å; R257-G415 WeakPolarHBondContact CD-O 3.38Å; R257-G415 PolarHBondContact NE-O 3Å; R257-G415 PolarHBondContact NH1-O 3.31Å; R257-I417 HydrophobicContact CG-CD1 3.95Å; R257-I417 HydrophobicContact CG-CG1 4.04Å
258	L	83.9	Confident	78.9	Confident	14 Å²	14	43.1 Å²	43.1	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-45.5	175.9	-170.3	61.9	0	0	0	111.8	V160 V227 L245 Q254 R255 L260 K261 V262	V160-L258 HydrophobicContact CB-CD1 4.3Å; V160-L258 HydrophobicContact CG1-CD1 3.99Å; V227-L258 HydrophobicContact CG2-CD1 3.52Å; V227-L258 HydrophobicContact CG2-CD2 3.76Å; V227-L258 HydrophobicContact CG2-CG 3.82Å; L245-L258 HydrophobicContact CD2-CD2 4.06Å; Q254-L258 PolarHBondContact O-N 2.92Å; R255-L258 PolarHBondContact O-N 3.34Å; L258-L260 PolarHBondContact O-N 3.44Å; L258-K261 PolarHBondContact O-N 3.34Å; L258-V262 WeakPolarHBondContact O-CG2 3.43Å; L258-V262 PolarHBondContact O-N 2.77Å
259	L	86.3	Confident	81.2	Confident	11 Å²	11	34.3 Å²	34.3	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-47.7	176.5	178.7	62.6	0	0	0	111.1	F192 L245 R255 T256 R257 K261 V262 L263 F285 A289	F192-L259 HydrophobicContact CD1-CD1 4.41Å; F192-L259 HydrophobicContact CD2-CD1 4.23Å; F192-L259 HydrophobicContact CE1-CD1 3.86Å; F192-L259 HydrophobicContact CE2-CD1 3.69Å; F192-L259 HydrophobicContact CZ-CD1 3.48Å; F192-L259 VanDerWaalsContact CZ-CD1 3.48Å; L245-L259 HydrophobicContact CD1-CB 4.38Å; L245-L259 HydrophobicContact CD1-CD1 3.87Å; R255-L259 WeakPolarHBondContact O-CB 3.26Å; R255-L259 PolarHBondContact O-N 3.33Å; T256-L259 PolarHBondContact O-N 2.81Å; R257-L259 VanDerWaalsContact C-N 3.32Å; R257-L259 PolarHBondContact O-N 3.36Å; L259-K261 PolarHBondContact O-N 3.21Å; L259-V262 PolarHBondContact O-N 2.81Å; L259-L263 HydrophobicContact CD1-CD1 4.07Å; L259-L263 HydrophobicContact CD1-CD2 4.32Å; L259-L263 HydrophobicContact CD1-CG 3.92Å; L259-L263 HydrophobicContact CD2-CD1 4.5Å; L259-L263 HydrophobicContact CG-CD1 3.83Å; L259-L263 HydrophobicContact CG-CG 4.11Å; L259-L263 WeakPolarHBondContact O-CB 3.03Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 3.32Å; L259-F285 HydrophobicContact CD1-CZ 4.09Å; L259-F285 HydrophobicContact CD2-CE2 4.01Å; L259-F285 HydrophobicContact CD2-CZ 3.93Å; L259-A289 HydrophobicContact CD2-CB 3.7Å
260	L	87.4	Confident	83.3	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-40.6	178.5	-69.5	171	0	0	0	112.6	T256 R257 L258 A264 A292 H296 F297 F413	T256-L260 HydrophobicContact CG2-CD1 4.22Å; T256-L260 VanDerWaalsContact O-CG 3.25Å; T256-L260 WeakPolarHBondContact O-CG 3.44Å; T256-L260 PolarHBondContact O-N 3.5Å; R257-L260 PolarHBondContact O-N 2.7Å; L258-L260 PolarHBondContact O-N 3.44Å; L260-A264 WeakPolarHBondContact O-CB 3.32Å; L260-A264 PolarHBondContact O-N 3.42Å; L260-A292 HydrophobicContact CD2-CB 4.1Å; L260-H296 HydrophobicContact CD1-CB 4.41Å; L260-H296 VanDerWaalsContact CD1-CD2 3.48Å; L260-H296 WeakPolarHBondContact CD1-CD2 3.47Å; L260-F297 HydrophobicContact CB-CE2 4.12Å; L260-F297 HydrophobicContact CB-CZ 4.3Å; L260-F297 HydrophobicContact CD2-CE2 3.87Å; L260-F413 HydrophobicContact CB-CZ 4.43Å; L260-F413 HydrophobicContact CD1-CD1 4.26Å; L260-F413 HydrophobicContact CD1-CE1 3.72Å; L260-F413 HydrophobicContact CD1-CZ 4.19Å
261	K	87.3	Confident	85.5	Confident	8 Å²	8	26.2 Å²	26.2	4%	0.035	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-48.9	174.9	-66.9	175.1	-171.1	-173.6	0	110.4	E164 R257 L258 L259 V265 L409 S410 F413	E164-K261 PolarHBondContact O-NZ 3.04Å; R257-K261 WeakPolarHBondContact O-CG 3.42Å; R257-K261 PolarHBondContact O-N 3.49Å; L258-K261 PolarHBondContact O-N 3.34Å; L259-K261 PolarHBondContact O-N 3.21Å; K261-V265 PolarHBondContact O-N 2.87Å; K261-L409 HydrophobicContact CG-CB 4.18Å; K261-S410 PolarHBondContact NZ-OG 2.59Å; K261-F413 WeakPolarHBondContact CE-O 3.42Å; K261-F413 HydrophobicContact CG-CB 4.35Å; K261-F413 HydrophobicContact CG-CD2 4.49Å; K261-F413 PolarHBondContact NZ-O 3.45Å
262	V	89.8	Confident	86.8	Confident	7 Å²	7	21.6 Å²	21.6	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-69.1	-43.9	-179.2	179.2	0	0	0	0	111.7	S190 F192 V227 I240 T242 L258 L259 A264 V265 S266	S190-V262 VanDerWaalsContact CB-CG1 3.49Å; S190-V262 VanDerWaalsContact OG-CG1 3.26Å; S190-V262 WeakPolarHBondContact OG-CG1 3.47Å; F192-V262 HydrophobicContact CE1-CB 4.16Å; F192-V262 HydrophobicContact CE1-CG1 3.72Å; F192-V262 HydrophobicContact CZ-CB 4Å; F192-V262 HydrophobicContact CZ-CG1 3.55Å; V227-V262 HydrophobicContact CG1-CG2 4.49Å; V227-V262 HydrophobicContact CG2-CG2 4.36Å; I240-V262 HydrophobicContact CG2-CG1 4.39Å; T242-V262 HydrophobicContact CG2-CG1 4.27Å; T242-V262 HydrophobicContact CG2-CG2 4.22Å; L258-V262 WeakPolarHBondContact O-CG2 3.43Å; L258-V262 PolarHBondContact O-N 2.77Å; L259-V262 PolarHBondContact O-N 2.81Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 PolarHBondContact O-N 2.96Å; V262-V265 WeakPolarHBondContact O-CG2 3.45Å; V262-V265 PolarHBondContact O-N 3.05Å; V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.09Å; V262-S266 PolarHBondContact O-OG 3.34Å
263	L	89.8	Confident	88	Confident	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-44.5	178.3	-75.7	-179.9	0	0	0	112.2	F192 L259 V265 S266 I269 A289 Y293 P319 F360	F192-L263 HydrophobicContact CE2-CD2 3.73Å; F192-L263 HydrophobicContact CE2-CG 4.45Å; F192-L263 HydrophobicContact CZ-CD2 4.19Å; L259-L263 HydrophobicContact CD1-CD1 4.07Å; L259-L263 HydrophobicContact CD1-CD2 4.32Å; L259-L263 HydrophobicContact CD1-CG 3.92Å; L259-L263 HydrophobicContact CD2-CD1 4.5Å; L259-L263 HydrophobicContact CG-CD1 3.83Å; L259-L263 HydrophobicContact CG-CG 4.11Å; L259-L263 WeakPolarHBondContact O-CB 3.03Å; L259-L263 WeakPolarHBondContact O-CG 3.36Å; L259-L263 PolarHBondContact O-N 3.32Å; L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 2.98Å; L263-S266 PolarHBondContact O-N 3.17Å; L263-I269 HydrophobicContact CD2-CD1 3.26Å; L263-I269 HydrophobicContact CD2-CG1 4.49Å; L263-A289 HydrophobicContact CD1-CB 4.27Å; L263-Y293 HydrophobicContact CB-CD2 3.83Å; L263-Y293 HydrophobicContact CB-CE2 4.14Å; L263-Y293 HydrophobicContact CD1-CD2 4.23Å; L263-P319 HydrophobicContact CD2-CG 4.47Å; L263-F360 HydrophobicContact CD2-CE1 3.77Å; L263-F360 HydrophobicContact CD2-CZ 4.33Å
264	A	87.1	Confident	88.6	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-63.2	-38.8	-178.4	0	0	0	0	0	112.2	L260 V262 Y293 F297 R394 L409 F428	L260-A264 WeakPolarHBondContact O-CB 3.32Å; L260-A264 PolarHBondContact O-N 3.42Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 PolarHBondContact O-N 2.96Å; A264-Y293 HydrophobicContact CB-CE2 4.37Å; A264-F297 HydrophobicContact CB-CE1 4.33Å; A264-F297 HydrophobicContact CB-CE2 4.18Å; A264-F297 HydrophobicContact CB-CZ 3.84Å; A264-R394 PolarHBondContact O-NH1 3.21Å; A264-L409 HydrophobicContact CB-CD1 3.55Å; A264-L409 HydrophobicContact CB-CD2 3.87Å; A264-L409 HydrophobicContact CB-CG 4.38Å; A264-F428 HydrophobicContact CB-CE1 3.93Å; A264-F428 HydrophobicContact CB-CZ 3.92Å
265	V	90.8	Very high	89.1	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-87.4	-17.6	-178	-57	0	0	0	0	114.7	V188 I240 K261 V262 L263 R397 A405 L406 L409	V188-V265 VanDerWaalsContact CB-O 3.31Å; V188-V265 WeakPolarHBondContact CB-O 3.49Å; V188-V265 HydrophobicContact CG1-CG2 4.44Å; V188-V265 WeakPolarHBondContact CG2-O 3.21Å; I240-V265 HydrophobicContact CD1-CG2 4.23Å; K261-V265 PolarHBondContact O-N 2.87Å; V262-V265 WeakPolarHBondContact O-CG2 3.45Å; V262-V265 PolarHBondContact O-N 3.05Å; L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 2.98Å; V265-R397 PolarHBondContact O-NH2 3.18Å; V265-A405 HydrophobicContact CG1-CB 4.3Å; V265-L406 HydrophobicContact CB-CD2 4.33Å; V265-L406 HydrophobicContact CG1-CD2 3.77Å; V265-L406 HydrophobicContact CG1-CG 3.96Å; V265-L406 HydrophobicContact CG2-CD2 3.88Å; V265-L409 HydrophobicContact CG1-CD1 3.53Å
266	S	93.5	Very high	89.6	Confident	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.			trans	-73	142.7	-177.6	-60.4	0	0	0	0	111.6	S190 V262 L263 P319 R394	S190-S266 VanDerWaalsContact CB-OG 3.32Å; S190-S266 WeakPolarHBondContact CB-OG 3.39Å; S190-S266 PolarHBondContact OG-OG 3.21Å; V262-S266 WeakPolarHBondContact O-CB 3.45Å; V262-S266 PolarHBondContact O-N 3.09Å; V262-S266 PolarHBondContact O-OG 3.34Å; L263-S266 PolarHBondContact O-N 3.17Å; S266-P319 WeakPolarHBondContact O-CB 3.39Å; S266-R394 PolarHBondContact O-NH1 3.19Å
267	D	94.1	Very high	89.9	Confident	13 Å²	13	23.5 Å²	23.5	7%	0.07	11%	0.109	C	C	.	.	S	Bend	trans	-95.8	-34.7	165.9	-60	-65.9	0	0	0	110.4	K187 V188 P319 A320 R394 R397	K187-D267 VanDerWaalsContact CA-OD2 3.32Å; K187-D267 WeakPolarHBondContact CA-OD2 3.22Å; K187-D267 HydrophobicContact CB-CB 4.21Å; K187-D267 HydrophobicContact CD-CB 4.28Å; K187-D267 HydrophobicContact CG-CB 4.35Å; V188-D267 PolarHBondContact N-OD2 3.25Å; V188-D267 PolarHBondContact O-N 3.39Å; D267-P319 WeakPolarHBondContact O-CA 3.32Å; D267-A320 PolarHBondContact O-N 2.86Å; D267-R394 VanDerWaalsContact OD1-CB 3.27Å; D267-R394 WeakPolarHBondContact OD1-CB 3.47Å; D267-R394 VanDerWaalsContact OD1-CD 3.31Å; D267-R394 WeakPolarHBondContact OD1-CD 3.43Å; D267-R397 IonicContact OD1-CZ 3.48Å; D267-R397 IonicContact OD1-NH1 3.6Å; D267-R397 PolarHBondContact OD1-NH1 3.27Å; D267-R397 IonicContact OD1-NH2 2.79Å; D267-R397 PolarHBondContact OD1-NH2 2.92Å; D267-R397 IonicContact OD2-CZ 2.66Å; D267-R397 IonicContact OD2-NH1 3.58Å; D267-R397 IonicContact OD2-NH2 3.78Å; D267-R397 PolarHBondContact OD2-NH2 3.36Å
268	L	95.1	Very high	90.2	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138	179.9	-178	63.1	0	0	0	110.2	V188 V189 S190 A320 V322 L384 L387 L388	V188-L268 PolarHBondContact O-N 3.16Å; V189-L268 WeakPolarHBondContact CA-O 3.22Å; V189-L268 HydrophobicContact CG2-CB 4.29Å; V189-L268 HydrophobicContact CG2-CD2 4.44Å; S190-L268 PolarHBondContact N-O 3.3Å; L268-A320 CarbonylContact C-O 3.49Å; L268-A320 WeakPolarHBondContact CA-O 3.24Å; L268-A320 HydrophobicContact CD1-CB 3.78Å; L268-V322 HydrophobicContact CD1-CG2 3.99Å; L268-L384 HydrophobicContact CD2-CB 4.37Å; L268-L384 HydrophobicContact CD2-CD2 3.52Å; L268-L384 HydrophobicContact CG-CD2 4.26Å; L268-L387 HydrophobicContact CD1-CB 4.04Å; L268-L387 HydrophobicContact CD1-CD1 3.79Å; L268-L387 HydrophobicContact CD2-CB 4.04Å; L268-L388 HydrophobicContact CB-CD2 4.47Å; L268-L388 HydrophobicContact CD2-CD2 4.1Å; L268-L388 HydrophobicContact CD2-CG 4.02Å
269	I	95.2	Very high	90.4	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.8	178.8	-66.5	159.5	0	0	0	108.9	S190 F192 L263 P319 A320 V321 V322 F360	S190-I269 CarbonylContact O-C 3.21Å; S190-I269 VanDerWaalsContact O-CA 3.32Å; S190-I269 WeakPolarHBondContact O-CA 3.43Å; F192-I269 HydrophobicContact CD2-CG2 3.33Å; F192-I269 HydrophobicContact CE2-CB 4.49Å; F192-I269 HydrophobicContact CE2-CD1 3.98Å; F192-I269 HydrophobicContact CE2-CG1 4.07Å; F192-I269 HydrophobicContact CE2-CG2 3.59Å; F192-I269 HydrophobicContact CG-CG2 4.31Å; L263-I269 HydrophobicContact CD2-CD1 3.26Å; L263-I269 HydrophobicContact CD2-CG1 4.49Å; I269-P319 HydrophobicContact CD1-CB 3.64Å; I269-P319 HydrophobicContact CD1-CG 3.33Å; I269-P319 HydrophobicContact CG1-CB 4.06Å; I269-P319 HydrophobicContact CG1-CG 4.25Å; I269-A320 PolarHBondContact N-O 3.08Å; I269-V321 HydrophobicContact CB-CG2 4.27Å; I269-V321 HydrophobicContact CD1-CG2 4.31Å; I269-V321 CarbonylContact O-C 3.55Å; I269-V321 WeakPolarHBondContact O-CA 3.45Å; I269-V322 PolarHBondContact O-N 3.06Å; I269-F360 HydrophobicContact CD1-CD1 4.41Å; I269-F360 HydrophobicContact CD1-CE1 4Å
270	I	96.3	Very high	90.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.5	169.1	-56.7	170.8	0	0	0	106.9	V189 S190 I191 F192 L203 F207 V322 F324 L384	V189-I270 HydrophobicContact CG1-CD1 3.92Å; V189-I270 HydrophobicContact CG1-CG1 4.2Å; S190-I270 PolarHBondContact O-N 3.24Å; I191-I270 CarbonylContact C-O 3.57Å; I191-I270 VanDerWaalsContact CA-O 3.26Å; I191-I270 WeakPolarHBondContact CA-O 3.32Å; I191-I270 HydrophobicContact CB-CB 4.35Å; I191-I270 HydrophobicContact CD1-CB 4.36Å; I191-I270 HydrophobicContact CD1-CG2 4.07Å; I191-I270 HydrophobicContact CG1-CB 4Å; I191-I270 HydrophobicContact CG1-CG2 4.08Å; I191-I270 WeakPolarHBondContact CG1-O 3.36Å; F192-I270 PolarHBondContact N-O 3.18Å; L203-I270 HydrophobicContact CD2-CD1 4.43Å; F207-I270 HydrophobicContact CE2-CD1 4.12Å; F207-I270 HydrophobicContact CZ-CD1 4.27Å; I270-V322 CarbonylContact C-O 3.53Å; I270-V322 WeakPolarHBondContact CA-O 3.35Å; I270-F324 HydrophobicContact CG2-CB 3.98Å; I270-L384 HydrophobicContact CD1-CD1 3.71Å; I270-L384 HydrophobicContact CD1-CD2 4.08Å; I270-L384 HydrophobicContact CG1-CD1 4.44Å; I270-L384 HydrophobicContact CG1-CD2 3.92Å
271	Y	94.8	Very high	90.4	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	105.3	165.1	-171.3	-80.1	0	0	0	108.2	F192 L246 L282 F285 L286 V322 I323 F324	F192-Y271 HydrophobicContact CB-CD2 4.17Å; L246-Y271 HydrophobicContact CD1-CE2 3.98Å; L246-Y271 WeakPolarHBondContact CD1-OH 3.44Å; Y271-L282 HydrophobicContact CD1-CD1 3.59Å; Y271-L282 HydrophobicContact CD1-CG 3.94Å; Y271-L282 HydrophobicContact CE1-CB 4.15Å; Y271-L282 HydrophobicContact CE1-CD1 3.28Å; Y271-L282 HydrophobicContact CE1-CG 3.47Å; Y271-L282 VanDerWaalsContact CE1-CG 3.47Å; Y271-F285 HydrophobicContact CD2-CD1 4.23Å; Y271-F285 HydrophobicContact CD2-CE1 4.21Å; Y271-F285 AromaticContact CE2-CD1 3.57Å; Y271-F285 HydrophobicContact CE2-CD1 3.57Å; Y271-F285 AromaticContact CE2-CE1 3.81Å; Y271-F285 HydrophobicContact CE2-CE1 3.81Å; Y271-L286 HydrophobicContact CD2-CD1 4.27Å; Y271-L286 HydrophobicContact CD2-CD2 3.9Å; Y271-L286 HydrophobicContact CD2-CG 4.25Å; Y271-L286 HydrophobicContact CE2-CD2 4.47Å; Y271-L286 HydrophobicContact CG-CD1 4.35Å; Y271-V322 PolarHBondContact N-O 3.15Å; Y271-I323 CarbonylContact O-C 3.54Å; Y271-I323 WeakPolarHBondContact O-CA 3.43Å; Y271-F324 PolarHBondContact O-N 3.49Å
272	R	93.8	Very high	90.5	Very high	6 Å²	6	36.9 Å²	36.9	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.8	179.2	171.6	60.6	-176.7	-167.7	-5.8	109.7	I191 F192 E197 K199 T202 E326	I191-R272 HydrophobicContact CD1-CB 4.01Å; I191-R272 HydrophobicContact CG1-CB 4.1Å; F192-R272 PolarHBondContact O-N 2.97Å; E197-R272 HydrophobicContact CB-CG 4.27Å; E197-R272 WeakPolarHBondContact O-CG 3.22Å; E197-R272 PolarHBondContact O-NE 3.21Å; K199-R272 HydrophobicContact CG-CB 4.33Å; K199-R272 HydrophobicContact CG-CG 4.47Å; T202-R272 PolarHBondContact OG1-NE 2.9Å; R272-E326 IonicContact CZ-OE2 2.63Å; R272-E326 IonicContact NH1-OE2 2.78Å; R272-E326 PolarHBondContact NH1-OE2 2.96Å; R272-E326 IonicContact NH2-OE2 2.84Å; R272-E326 PolarHBondContact NH2-OE2 2.98Å
273	T	91.9	Very high	90.5	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.055	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.2	166.1	-173.1	0	0	0	0	112.3	E197 A275 L278 L282 F324 H325 E326	E197-T273 VanDerWaalsContact OE1-CA 3.31Å; E197-T273 WeakPolarHBondContact OE1-CA 3.37Å; E197-T273 WeakPolarHBondContact OE1-CB 3.33Å; E197-T273 PolarHBondContact OE1-OG1 2.95Å; T273-A275 PolarHBondContact OG1-N 3.34Å; T273-L278 HydrophobicContact CG2-CD2 3.78Å; T273-L282 HydrophobicContact CG2-CD1 4.39Å; T273-F324 PolarHBondContact N-O 3.39Å; T273-H325 HydrophobicContact CG2-CB 4.01Å; T273-E326 PolarHBondContact O-N 2.88Å
274	H	88.8	Confident	90.5	Very high	87 Å²	87	41.9 Å²	41.9	40%	0.403	20%	0.201	S	C	.	.			trans	-118.3	24.5	177.1	-169	-81.9	0	0	0	111	E197 E326	E197-H274 PolarHBondContact OE1-N 2.7Å; H274-E326 IonicContact CD2-OE2 2.9Å
275	A	86.9	Confident	90.6	Very high	23 Å²	23	43 Å²	43	19%	0.19	21%	0.206	C	C	.	.			trans	-76.7	154.5	175.2	0	0	0	0	0	110.9	T273 R277 H325	T273-A275 PolarHBondContact OG1-N 3.34Å; A275-R277 VanDerWaalsContact CB-O 3.23Å; A275-R277 WeakPolarHBondContact CB-O 3.39Å; A275-R277 PolarHBondContact O-N 2.98Å; A275-H325 PolarHBondContact O-CD2 3.39Å; A275-H325 PolarHBondContact O-NE2 3.46Å
276	D	85.9	Confident	90.6	Very high	86 Å²	86	43 Å²	43	46%	0.46	21%	0.206	S	C	.	.	S	Bend	trans	-65.3	-21.7	172.5	-79.9	-29.7	0	0	0	112.5	T330	D276-T330 HydrophobicContact CB-CG2 3.77Å; D276-T330 WeakPolarHBondContact O-CB 3.09Å; D276-T330 WeakPolarHBondContact O-CG2 3.49Å; D276-T330 PolarHBondContact O-OG1 3.23Å
277	R	86.8	Confident	90.4	Very high	182 Å²	182	43 Å²	43	69%	0.687	21%	0.206	S	C	*	.	S	Bend	trans	-145.7	152.9	-179.5	-61.6	-177.2	-177.9	175.9	1.1	110	A275 H279	A275-R277 VanDerWaalsContact CB-O 3.23Å; A275-R277 WeakPolarHBondContact CB-O 3.39Å; A275-R277 PolarHBondContact O-N 2.98Å; R277-H279 PolarHBondContact O-CD2 3.38Å; R277-H279 PolarHBondContact O-N 3.47Å
278	L	89.4	Confident	90.2	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.162	22%	0.217	C	C	.	.			trans	-72.4	109.9	169.2	-57.5	-177.3	0	0	0	109.6	T273 L282 F283 I323 H325 L333 L346 Y365	T273-L278 HydrophobicContact CG2-CD2 3.78Å; L278-L282 HydrophobicContact CD2-CD1 4.07Å; L278-F283 HydrophobicContact CB-CE2 4.07Å; L278-F283 HydrophobicContact CB-CZ 4.47Å; L278-F283 HydrophobicContact CD1-CZ 4.36Å; L278-I323 HydrophobicContact CD2-CG2 4.18Å; L278-H325 HydrophobicContact CD2-CB 4.09Å; L278-L333 HydrophobicContact CD1-CD2 3.94Å; L278-L346 HydrophobicContact CD1-CD2 3.95Å; L278-Y365 HydrophobicContact CD1-CD2 4.15Å; L278-Y365 HydrophobicContact CD1-CE2 4Å
279	H	87.1	Confident	89.9	Confident	111 Å²	111	45.2 Å²	45.2	51%	0.514	22%	0.218	S	C	.	.			trans	-82.1	157.5	178.3	-68.1	-82.1	0	0	0	112.3	R277 D281 L282 F283	R277-H279 PolarHBondContact O-CD2 3.38Å; R277-H279 PolarHBondContact O-N 3.47Å; H279-D281 PolarHBondContact O-N 2.86Å; H279-L282 WeakPolarHBondContact O-CB 3.27Å; H279-L282 PolarHBondContact O-N 3.43Å; H279-F283 WeakPolarHBondContact O-CD2 3.43Å
280	D	88.8	Confident	89.7	Confident	84 Å²	84	45.2 Å²	45.2	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-60.9	-26	178.6	-68	-20.3	0	0	0	112.6	L282 F283 K284 L353	D280-L282 VanDerWaalsContact C-N 3.28Å; D280-L282 PolarHBondContact O-N 3.49Å; D280-F283 PolarHBondContact O-N 3.11Å; D280-F283 VanDerWaalsContact O-N 3.17Å; D280-K284 WeakPolarHBondContact O-CB 3.36Å; D280-K284 PolarHBondContact O-N 2.62Å; D280-L353 HydrophobicContact CB-CD1 3.98Å; D280-L353 HydrophobicContact CB-CD2 4.13Å
281	D	85.2	Confident	89.3	Confident	114 Å²	114	48.5 Å²	48.5	61%	0.61	24%	0.236	S	C	*	.	H	α-helix	trans	-60	-34.8	177.6	-67.4	-32.2	0	0	0	113.1	H279 F285	H279-D281 PolarHBondContact O-N 2.86Å; D281-F285 VanDerWaalsContact O-CB 3.24Å; D281-F285 WeakPolarHBondContact O-CB 3.41Å; D281-F285 PolarHBondContact O-N 3.28Å
282	L	89.6	Confident	89	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.037	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-50.4	174.8	174.3	161.6	0	0	0	110.5	Y271 T273 L278 H279 D280 F285 L286 I323	Y271-L282 HydrophobicContact CD1-CD1 3.59Å; Y271-L282 HydrophobicContact CD1-CG 3.94Å; Y271-L282 HydrophobicContact CE1-CB 4.15Å; Y271-L282 HydrophobicContact CE1-CD1 3.28Å; Y271-L282 HydrophobicContact CE1-CG 3.47Å; Y271-L282 VanDerWaalsContact CE1-CG 3.47Å; T273-L282 HydrophobicContact CG2-CD1 4.39Å; L278-L282 HydrophobicContact CD2-CD1 4.07Å; H279-L282 WeakPolarHBondContact O-CB 3.27Å; H279-L282 PolarHBondContact O-N 3.43Å; D280-L282 VanDerWaalsContact C-N 3.28Å; D280-L282 PolarHBondContact O-N 3.49Å; L282-F285 PolarHBondContact O-N 2.98Å; L282-L286 HydrophobicContact CD2-CD1 3.62Å; L282-L286 HydrophobicContact CG-CD1 4.19Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 3.29Å; L282-I323 HydrophobicContact CD1-CG2 4.02Å; L282-I323 HydrophobicContact CD2-CD1 3.94Å
283	F	90.7	Very high	88.7	Confident	3 Å²	3	49 Å²	49	1%	0.013	24%	0.241	C	C	.	.	H	α-helix	trans	-69.3	-37.5	-177.3	-64.8	-83.5	0	0	0	111.1	L278 H279 D280 G287 L346 R349 F350 L353	L278-F283 HydrophobicContact CB-CE2 4.07Å; L278-F283 HydrophobicContact CB-CZ 4.47Å; L278-F283 HydrophobicContact CD1-CZ 4.36Å; H279-F283 WeakPolarHBondContact O-CD2 3.43Å; D280-F283 PolarHBondContact O-N 3.11Å; D280-F283 VanDerWaalsContact O-N 3.17Å; F283-G287 PolarHBondContact O-N 2.96Å; F283-L346 HydrophobicContact CE1-CB 4.48Å; F283-L346 HydrophobicContact CE1-CD2 4.06Å; F283-L346 HydrophobicContact CZ-CD2 3.97Å; F283-R349 HydrophobicContact CD1-CB 3.97Å; F283-R349 HydrophobicContact CD2-CB 4.35Å; F283-R349 HydrophobicContact CE1-CB 3.65Å; F283-R349 HydrophobicContact CE1-CG 4.41Å; F283-R349 HydrophobicContact CE2-CB 4.06Å; F283-R349 HydrophobicContact CE2-CG 4.32Å; F283-R349 HydrophobicContact CG-CB 4.32Å; F283-R349 HydrophobicContact CZ-CB 3.7Å; F283-R349 HydrophobicContact CZ-CG 4.01Å; F283-F350 HydrophobicContact CB-CD1 4.22Å; F283-F350 HydrophobicContact CB-CE1 4.09Å; F283-F350 HydrophobicContact CD1-CD1 4.07Å; F283-F350 AromaticContact CD1-CD2 3.7Å; F283-F350 HydrophobicContact CD1-CD2 3.7Å; F283-F350 AromaticContact CD1-CE1 3.95Å; F283-F350 HydrophobicContact CD1-CE1 3.95Å; F283-F350 AromaticContact CD1-CE2 3.57Å; F283-F350 HydrophobicContact CD1-CE2 3.57Å; F283-F350 AromaticContact CD1-CG 3.95Å; F283-F350 HydrophobicContact CD1-CG 3.95Å; F283-F350 AromaticContact CD1-CZ 3.7Å; F283-F350 HydrophobicContact CD1-CZ 3.7Å; F283-F350 HydrophobicContact CE1-CD2 4.1Å; F283-F350 AromaticContact CE1-CE2 3.96Å; F283-F350 HydrophobicContact CE1-CE2 3.96Å; F283-F350 HydrophobicContact CE1-CZ 4.45Å; F283-F350 WeakPolarHBondContact O-CE1 3.36Å; F283-L353 HydrophobicContact CB-CD1 3.48Å; F283-L353 VanDerWaalsContact CB-CD1 3.48Å; F283-L353 HydrophobicContact CD2-CD1 4.49Å; F283-L353 HydrophobicContact CG-CD1 4.22Å
284	K	89.1	Confident	88.5	Confident	111 Å²	111	49.8 Å²	49.8	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-47.4	172.8	-172.4	-178.9	179.2	-175.9	0	110.9	D280 G287 D288	D280-K284 WeakPolarHBondContact O-CB 3.36Å; D280-K284 PolarHBondContact O-N 2.62Å; K284-G287 PolarHBondContact O-N 3.38Å; K284-D288 WeakPolarHBondContact O-CB 3.46Å; K284-D288 PolarHBondContact O-N 3.04Å
285	F	88.4	Confident	88.4	Confident	25 Å²	25	53.8 Å²	53.8	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-50.7	178.1	173.1	-101.4	0	0	0	112.7	L245 L246 L259 Y271 D281 L282 G287 D288 A289	L245-F285 HydrophobicContact CB-CE2 4.38Å; L245-F285 HydrophobicContact CB-CZ 4.29Å; L245-F285 HydrophobicContact CD1-CZ 4.49Å; L246-F285 HydrophobicContact CD1-CB 4.47Å; L246-F285 HydrophobicContact CD1-CD1 4.23Å; L246-F285 HydrophobicContact CD1-CD2 4.32Å; L246-F285 HydrophobicContact CD1-CG 4.08Å; L246-F285 HydrophobicContact CD2-CB 3.83Å; L246-F285 HydrophobicContact CD2-CD2 3.35Å; L246-F285 HydrophobicContact CD2-CE2 4.02Å; L246-F285 HydrophobicContact CD2-CG 3.66Å; L246-F285 HydrophobicContact CG-CD2 3.9Å; L246-F285 HydrophobicContact CG-CE2 4.13Å; L246-F285 HydrophobicContact CG-CG 4.16Å; L259-F285 HydrophobicContact CD1-CZ 4.09Å; L259-F285 HydrophobicContact CD2-CE2 4.01Å; L259-F285 HydrophobicContact CD2-CZ 3.93Å; Y271-F285 HydrophobicContact CD2-CD1 4.23Å; Y271-F285 HydrophobicContact CD2-CE1 4.21Å; Y271-F285 AromaticContact CE2-CD1 3.57Å; Y271-F285 HydrophobicContact CE2-CD1 3.57Å; Y271-F285 AromaticContact CE2-CE1 3.81Å; Y271-F285 HydrophobicContact CE2-CE1 3.81Å; D281-F285 VanDerWaalsContact O-CB 3.24Å; D281-F285 WeakPolarHBondContact O-CB 3.41Å; D281-F285 PolarHBondContact O-N 3.28Å; L282-F285 PolarHBondContact O-N 2.98Å; F285-G287 VanDerWaalsContact C-N 3.29Å; F285-G287 PolarHBondContact O-N 3.13Å; F285-D288 PolarHBondContact O-N 2.94Å; F285-A289 WeakPolarHBondContact O-CB 3.18Å; F285-A289 PolarHBondContact O-N 2.8Å
286	L	90.7	Very high	88.3	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-34.8	179.7	-67.3	172.3	0	0	0	111.5	Y271 L282 S290 I323 F350 F360 F363	Y271-L286 HydrophobicContact CD2-CD1 4.27Å; Y271-L286 HydrophobicContact CD2-CD2 3.9Å; Y271-L286 HydrophobicContact CD2-CG 4.25Å; Y271-L286 HydrophobicContact CE2-CD2 4.47Å; Y271-L286 HydrophobicContact CG-CD1 4.35Å; L282-L286 HydrophobicContact CD2-CD1 3.62Å; L282-L286 HydrophobicContact CG-CD1 4.19Å; L282-L286 WeakPolarHBondContact O-CG 3.45Å; L282-L286 PolarHBondContact O-N 3.29Å; L286-S290 WeakPolarHBondContact O-CB 3.45Å; L286-S290 PolarHBondContact O-N 3.21Å; L286-I323 HydrophobicContact CD1-CD1 4.47Å; L286-I323 HydrophobicContact CD1-CG1 4.48Å; L286-F350 HydrophobicContact CB-CE1 4.14Å; L286-F350 HydrophobicContact CB-CZ 4Å; L286-F350 HydrophobicContact CD1-CZ 4.41Å; L286-F360 WeakPolarHBondContact O-CE2 3.48Å; L286-F363 HydrophobicContact CD1-CE1 3.98Å
287	G	90.6	Very high	88.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-50.6	171.9	0	0	0	0	0	112.6	F283 K284 F285 A289 S290 D291	F283-G287 PolarHBondContact O-N 2.96Å; K284-G287 PolarHBondContact O-N 3.38Å; F285-G287 VanDerWaalsContact C-N 3.29Å; F285-G287 PolarHBondContact O-N 3.13Å; G287-A289 VanDerWaalsContact C-N 3.29Å; G287-A289 PolarHBondContact O-N 3.34Å; G287-S290 WeakPolarHBondContact O-CB 3.33Å; G287-S290 PolarHBondContact O-N 2.73Å; G287-S290 VanDerWaalsContact O-N 3.13Å; G287-D291 PolarHBondContact O-N 2.9Å
288	D	88.8	Confident	88.1	Confident	59 Å²	59	43.2 Å²	43.2	32%	0.316	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-37.6	178.8	-67.2	-8.3	0	0	0	111.2	K284 F285 D291 A292 R355	K284-D288 WeakPolarHBondContact O-CB 3.46Å; K284-D288 PolarHBondContact O-N 3.04Å; F285-D288 PolarHBondContact O-N 2.94Å; D288-D291 PolarHBondContact O-N 3.41Å; D288-A292 VanDerWaalsContact O-CB 3.31Å; D288-A292 WeakPolarHBondContact O-CB 3.27Å; D288-A292 PolarHBondContact O-N 3.16Å; D288-R355 IonicContact OD1-CZ 2.68Å; D288-R355 IonicContact OD1-NE 2.94Å; D288-R355 PolarHBondContact OD1-NE 2.87Å; D288-R355 IonicContact OD1-NH2 3.34Å; D288-R355 PolarHBondContact OD1-NH2 3.38Å
289	A	88.9	Confident	87.8	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-42.9	173.6	0	0	0	0	0	111.8	L259 L263 F285 G287 A292 Y293 F360	L259-A289 HydrophobicContact CD2-CB 3.7Å; L263-A289 HydrophobicContact CD1-CB 4.27Å; F285-A289 WeakPolarHBondContact O-CB 3.18Å; F285-A289 PolarHBondContact O-N 2.8Å; G287-A289 VanDerWaalsContact C-N 3.29Å; G287-A289 PolarHBondContact O-N 3.34Å; A289-A292 PolarHBondContact O-N 2.86Å; A289-Y293 VanDerWaalsContact O-CB 3.31Å; A289-Y293 WeakPolarHBondContact O-CB 3.4Å; A289-Y293 PolarHBondContact O-N 2.83Å; A289-F360 HydrophobicContact CB-CZ 4.45Å
290	S	90.7	Very high	87.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-49.8	175.6	170.5	0	0	0	0	111.6	L286 G287 A292 Y293 L294 F356 P357 E358 A359	L286-S290 WeakPolarHBondContact O-CB 3.45Å; L286-S290 PolarHBondContact O-N 3.21Å; G287-S290 WeakPolarHBondContact O-CB 3.33Å; G287-S290 PolarHBondContact O-N 2.73Å; G287-S290 VanDerWaalsContact O-N 3.13Å; S290-A292 VanDerWaalsContact C-N 3.32Å; S290-A292 PolarHBondContact O-N 3.4Å; S290-Y293 PolarHBondContact O-N 3.38Å; S290-L294 PolarHBondContact O-N 3.29Å; S290-F356 PolarHBondContact OG-O 2.66Å; S290-P357 WeakPolarHBondContact OG-CA 3.49Å; S290-E358 PolarHBondContact OG-N 3.27Å; S290-A359 VanDerWaalsContact CA-CB 3.48Å; S290-A359 WeakPolarHBondContact OG-CB 3.27Å; S290-A359 PolarHBondContact OG-N 3.46Å
291	D	88.9	Confident	87.1	Confident	70 Å²	70	42.6 Å²	42.6	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-44.2	178.8	-70.1	-16	0	0	0	111.1	G287 D288 K295 R355	G287-D291 PolarHBondContact O-N 2.9Å; D288-D291 PolarHBondContact O-N 3.41Å; D291-K295 WeakPolarHBondContact O-CB 3.43Å; D291-K295 PolarHBondContact O-N 3.04Å; D291-R355 IonicContact OD2-NH1 3.99Å
292	A	87.6	Confident	87	Confident	17 Å²	17	43 Å²	43	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-45.2	175.9	0	0	0	0	0	111.8	T256 L260 D288 A289 S290 K295 H296	T256-A292 HydrophobicContact CG2-CB 4.3Å; L260-A292 HydrophobicContact CD2-CB 4.1Å; D288-A292 VanDerWaalsContact O-CB 3.31Å; D288-A292 WeakPolarHBondContact O-CB 3.27Å; D288-A292 PolarHBondContact O-N 3.16Å; A289-A292 PolarHBondContact O-N 2.86Å; S290-A292 VanDerWaalsContact C-N 3.32Å; S290-A292 PolarHBondContact O-N 3.4Å; A292-K295 PolarHBondContact O-N 3Å; A292-H296 PolarHBondContact O-CD2 2.78Å; A292-H296 PolarHBondContact O-N 2.68Å
293	Y	88.6	Confident	86.5	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-51.8	178.5	-176.4	-88.2	0	0	0	111.3	L263 A264 A289 S290 K295 H296 F297 L301 A359 R394 F428	L263-Y293 HydrophobicContact CB-CD2 3.83Å; L263-Y293 HydrophobicContact CB-CE2 4.14Å; L263-Y293 HydrophobicContact CD1-CD2 4.23Å; A264-Y293 HydrophobicContact CB-CE2 4.37Å; A289-Y293 VanDerWaalsContact O-CB 3.31Å; A289-Y293 WeakPolarHBondContact O-CB 3.4Å; A289-Y293 PolarHBondContact O-N 2.83Å; S290-Y293 PolarHBondContact O-N 3.38Å; Y293-K295 VanDerWaalsContact C-N 3.35Å; Y293-K295 PolarHBondContact O-N 3.45Å; Y293-H296 PolarHBondContact O-N 3.4Å; Y293-F297 HydrophobicContact CD1-CD2 4.22Å; Y293-F297 AromaticContact CD2-CD2 3.39Å; Y293-F297 HydrophobicContact CD2-CD2 3.39Å; Y293-F297 AromaticContact CD2-CE2 3.63Å; Y293-F297 HydrophobicContact CD2-CE2 3.63Å; Y293-F297 HydrophobicContact CE1-CB 4.4Å; Y293-F297 HydrophobicContact CE1-CD2 4.33Å; Y293-F297 AromaticContact CE2-CD2 3.5Å; Y293-F297 HydrophobicContact CE2-CD2 3.5Å; Y293-F297 VanDerWaalsContact CE2-CD2 3.5Å; Y293-F297 AromaticContact CE2-CE2 3.8Å; Y293-F297 HydrophobicContact CE2-CE2 3.8Å; Y293-F297 HydrophobicContact CE2-CG 4.34Å; Y293-F297 AromaticContact CG-CD2 3.78Å; Y293-F297 HydrophobicContact CG-CD2 3.78Å; Y293-F297 HydrophobicContact CG-CE2 4.37Å; Y293-F297 AromaticContact CZ-CD2 3.99Å; Y293-F297 WeakPolarHBondContact O-CB 3.17Å; Y293-F297 VanDerWaalsContact O-CD2 3.25Å; Y293-F297 WeakPolarHBondContact O-CD2 3.32Å; Y293-F297 PolarHBondContact O-N 2.89Å; Y293-L301 HydrophobicContact CE1-CD1 3.82Å; Y293-A359 HydrophobicContact CD1-CB 3.63Å; Y293-A359 HydrophobicContact CE1-CB 4.5Å; Y293-A359 HydrophobicContact CG-CB 4Å; Y293-R394 PolarHBondContact OH-NH2 3.2Å; Y293-F428 WeakPolarHBondContact OH-CZ 3.33Å
294	L	87.3	Confident	85.7	Confident	27 Å²	27	44.5 Å²	44.5	14%	0.141	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-43	178.4	-69.2	174.3	0	0	0	111.4	S290 H296 T298 E358 A359	S290-L294 PolarHBondContact O-N 3.29Å; L294-H296 VanDerWaalsContact C-N 3.28Å; L294-H296 PolarHBondContact O-N 3.11Å; L294-T298 WeakPolarHBondContact O-CB 3.38Å; L294-T298 PolarHBondContact O-N 3.45Å; L294-T298 PolarHBondContact O-OG1 2.72Å; L294-E358 HydrophobicContact CD1-CB 3.75Å; L294-A359 HydrophobicContact CD2-CB 4.5Å; L294-A359 HydrophobicContact CG-CB 4.09Å
295	K	86.5	Confident	85.1	Confident	170 Å²	170	40.9 Å²	40.9	74%	0.739	20%	0.202	S	C	*	.	H	α-helix	trans	-55.2	-42.7	177.2	-178.9	-178.5	179.3	-177	0	112.4	D291 A292 Y293	D291-K295 WeakPolarHBondContact O-CB 3.43Å; D291-K295 PolarHBondContact O-N 3.04Å; A292-K295 PolarHBondContact O-N 3Å; Y293-K295 VanDerWaalsContact C-N 3.35Å; Y293-K295 PolarHBondContact O-N 3.45Å
296	H	84	Confident	84.5	Confident	33 Å²	33	43.6 Å²	43.6	15%	0.153	23%	0.229	C	C	.	.	H	α-helix	trans	-90.8	-27.1	-173.5	-70.2	-67.1	0	0	0	114.5	L260 A292 Y293 L294 R412 F413	L260-H296 HydrophobicContact CD1-CB 4.41Å; L260-H296 VanDerWaalsContact CD1-CD2 3.48Å; L260-H296 WeakPolarHBondContact CD1-CD2 3.47Å; A292-H296 PolarHBondContact O-CD2 2.78Å; A292-H296 PolarHBondContact O-N 2.68Å; Y293-H296 PolarHBondContact O-N 3.4Å; L294-H296 VanDerWaalsContact C-N 3.28Å; L294-H296 PolarHBondContact O-N 3.11Å; H296-R412 PolarHBondContact O-NH2 2.82Å; H296-R412 VanDerWaalsContact O-NH2 3.11Å; H296-F413 HydrophobicContact CB-CE1 4.23Å; H296-F413 HydrophobicContact CB-CZ 4.03Å
297	F	85.4	Confident	83.6	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-110.6	-12.5	-172.9	-61.5	-63.8	0	0	0	115	L260 A264 Y293 K299 E300 L301 L409 F413 F428	L260-F297 HydrophobicContact CB-CE2 4.12Å; L260-F297 HydrophobicContact CB-CZ 4.3Å; L260-F297 HydrophobicContact CD2-CE2 3.87Å; A264-F297 HydrophobicContact CB-CE1 4.33Å; A264-F297 HydrophobicContact CB-CE2 4.18Å; A264-F297 HydrophobicContact CB-CZ 3.84Å; Y293-F297 HydrophobicContact CD1-CD2 4.22Å; Y293-F297 AromaticContact CD2-CD2 3.39Å; Y293-F297 HydrophobicContact CD2-CD2 3.39Å; Y293-F297 AromaticContact CD2-CE2 3.63Å; Y293-F297 HydrophobicContact CD2-CE2 3.63Å; Y293-F297 HydrophobicContact CE1-CB 4.4Å; Y293-F297 HydrophobicContact CE1-CD2 4.33Å; Y293-F297 AromaticContact CE2-CD2 3.5Å; Y293-F297 HydrophobicContact CE2-CD2 3.5Å; Y293-F297 VanDerWaalsContact CE2-CD2 3.5Å; Y293-F297 AromaticContact CE2-CE2 3.8Å; Y293-F297 HydrophobicContact CE2-CE2 3.8Å; Y293-F297 HydrophobicContact CE2-CG 4.34Å; Y293-F297 AromaticContact CG-CD2 3.78Å; Y293-F297 HydrophobicContact CG-CD2 3.78Å; Y293-F297 HydrophobicContact CG-CE2 4.37Å; Y293-F297 AromaticContact CZ-CD2 3.99Å; Y293-F297 WeakPolarHBondContact O-CB 3.17Å; Y293-F297 VanDerWaalsContact O-CD2 3.25Å; Y293-F297 WeakPolarHBondContact O-CD2 3.32Å; Y293-F297 PolarHBondContact O-N 2.89Å; F297-K299 VanDerWaalsContact C-N 3.32Å; F297-K299 PolarHBondContact O-N 2.95Å; F297-E300 PolarHBondContact O-N 3.45Å; F297-L301 HydrophobicContact CB-CD1 3.95Å; F297-L301 HydrophobicContact CB-CG 4.19Å; F297-L301 WeakPolarHBondContact O-CG 3.31Å; F297-L301 PolarHBondContact O-N 3.39Å; F297-L409 HydrophobicContact CE1-CD2 3.57Å; F297-L409 HydrophobicContact CZ-CD2 3.71Å; F297-F413 AromaticContact CE1-CE2 3.77Å; F297-F413 HydrophobicContact CE1-CE2 3.77Å; F297-F413 AromaticContact CE1-CZ 3.95Å; F297-F413 HydrophobicContact CE1-CZ 3.95Å; F297-F413 HydrophobicContact CE2-CZ 4.48Å; F297-F413 AromaticContact CZ-CE2 3.59Å; F297-F413 HydrophobicContact CZ-CE2 3.59Å; F297-F413 AromaticContact CZ-CZ 3.71Å; F297-F413 HydrophobicContact CZ-CZ 3.71Å; F297-F428 HydrophobicContact CB-CE2 4.05Å; F297-F428 HydrophobicContact CB-CZ 4.38Å; F297-F428 AromaticContact CD1-CE2 3.62Å; F297-F428 HydrophobicContact CD1-CE2 3.62Å; F297-F428 AromaticContact CD1-CZ 3.89Å; F297-F428 HydrophobicContact CD1-CZ 3.89Å; F297-F428 HydrophobicContact CE1-CE2 4.32Å; F297-F428 HydrophobicContact CE1-CZ 4.31Å; F297-F428 AromaticContact CG-CE2 3.99Å; F297-F428 HydrophobicContact CG-CE2 3.99Å; F297-F428 HydrophobicContact CG-CZ 4.06Å
298	T	84.6	Confident	82.4	Confident	37 Å²	37	49.4 Å²	49.4	23%	0.227	25%	0.252	C	S	.	.	H	α-helix	trans	-53.5	-43.6	-176.8	-72.3	0	0	0	0	113.6	L294 E300 L301 K302 L314	L294-T298 WeakPolarHBondContact O-CB 3.38Å; L294-T298 PolarHBondContact O-N 3.45Å; L294-T298 PolarHBondContact O-OG1 2.72Å; T298-E300 VanDerWaalsContact C-N 3.32Å; T298-E300 PolarHBondContact O-N 3.36Å; T298-L301 PolarHBondContact O-N 2.8Å; T298-K302 HydrophobicContact CG2-CD 3.97Å; T298-K302 HydrophobicContact CG2-CG 4.33Å; T298-K302 WeakPolarHBondContact O-CB 3.26Å; T298-K302 VanDerWaalsContact O-CG 3.31Å; T298-K302 WeakPolarHBondContact O-CG 3.41Å; T298-K302 PolarHBondContact O-N 2.98Å; T298-L314 HydrophobicContact CG2-CD1 3.92Å
299	K	82.9	Confident	81.4	Confident	175 Å²	175	49.5 Å²	49.5	76%	0.761	27%	0.266	S	S	*	.	H	α-helix	trans	-60	-44.6	179.8	-175.3	178.8	177.2	-178.9	0	111.2	F297 A303	F297-K299 VanDerWaalsContact C-N 3.32Å; F297-K299 PolarHBondContact O-N 2.95Å; K299-A303 PolarHBondContact O-N 3.14Å; K299-A303 VanDerWaalsContact O-N 3.09Å
300	E	80.5	Confident	80.4	Confident	38 Å²	38	50.5 Å²	50.5	18%	0.178	27%	0.271	C	S	.	.	H	α-helix	trans	-73.5	-40.7	-178.4	-156.7	70.6	-166.8	0	0	112.3	F297 T298 K302 A303 T304 F427 F428	F297-E300 PolarHBondContact O-N 3.45Å; T298-E300 VanDerWaalsContact C-N 3.32Å; T298-E300 PolarHBondContact O-N 3.36Å; E300-K302 VanDerWaalsContact C-N 3.34Å; E300-K302 PolarHBondContact O-N 3.41Å; E300-A303 PolarHBondContact O-N 3.48Å; E300-T304 WeakPolarHBondContact O-CB 3.02Å; E300-T304 PolarHBondContact O-N 3.27Å; E300-T304 PolarHBondContact O-OG1 2.92Å; E300-F427 HydrophobicContact CB-CD2 4.36Å; E300-F427 HydrophobicContact CG-CB 4.49Å; E300-F427 HydrophobicContact CG-CD2 3.82Å; E300-F428 HydrophobicContact CB-CD2 4.46Å; E300-F428 HydrophobicContact CG-CD2 4.23Å
301	L	80.9	Confident	79.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-42.4	177.1	-69.4	170.7	0	0	0	110.7	Y293 F297 T298 T304 M305 L314 L317 F428 F433	Y293-L301 HydrophobicContact CE1-CD1 3.82Å; F297-L301 HydrophobicContact CB-CD1 3.95Å; F297-L301 HydrophobicContact CB-CG 4.19Å; F297-L301 WeakPolarHBondContact O-CG 3.31Å; F297-L301 PolarHBondContact O-N 3.39Å; T298-L301 PolarHBondContact O-N 2.8Å; L301-T304 PolarHBondContact O-N 3.17Å; L301-M305 VanDerWaalsContact O-CG 3.28Å; L301-M305 WeakPolarHBondContact O-CG 3.34Å; L301-M305 PolarHBondContact O-N 3.43Å; L301-L314 HydrophobicContact CB-CD2 3.5Å; L301-L314 HydrophobicContact CD1-CD2 4.5Å; L301-L317 HydrophobicContact CB-CD1 4.13Å; L301-L317 HydrophobicContact CD2-CB 4.17Å; L301-L317 HydrophobicContact CD2-CD1 4Å; L301-F428 HydrophobicContact CD2-CD2 4.02Å; L301-F428 HydrophobicContact CD2-CE2 3.88Å; L301-F428 HydrophobicContact CD2-CG 4.49Å; L301-F428 HydrophobicContact CD2-CZ 4.24Å; L301-F428 HydrophobicContact CG-CE2 4.23Å; L301-F433 HydrophobicContact CD2-CZ 4.14Å
302	K	82.2	Confident	78.6	Confident	123 Å²	123	57.4 Å²	57.4	54%	0.535	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-43	173.4	-74.7	-178.9	177.6	-177.8	0	112.4	T298 E300 T304 M305 A306 L314	T298-K302 HydrophobicContact CG2-CD 3.97Å; T298-K302 HydrophobicContact CG2-CG 4.33Å; T298-K302 WeakPolarHBondContact O-CB 3.26Å; T298-K302 VanDerWaalsContact O-CG 3.31Å; T298-K302 WeakPolarHBondContact O-CG 3.41Å; T298-K302 PolarHBondContact O-N 2.98Å; E300-K302 VanDerWaalsContact C-N 3.34Å; E300-K302 PolarHBondContact O-N 3.41Å; K302-T304 VanDerWaalsContact C-N 3.3Å; K302-T304 PolarHBondContact O-N 3.5Å; K302-M305 PolarHBondContact O-N 3.35Å; K302-A306 PolarHBondContact O-N 2.85Å; K302-L314 HydrophobicContact CG-CD1 4.08Å; K302-L314 HydrophobicContact CG-CD2 4.05Å
303	A	79	Confident	78.1	Confident	40 Å²	40	60.6 Å²	60.6	33%	0.331	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-42.9	175.5	0	0	0	0	0	111	K299 E300 A306 R307	K299-A303 PolarHBondContact O-N 3.14Å; K299-A303 VanDerWaalsContact O-N 3.09Å; E300-A303 PolarHBondContact O-N 3.48Å; A303-A306 PolarHBondContact O-N 3.33Å; A303-R307 WeakPolarHBondContact O-CG 2.87Å; A303-R307 PolarHBondContact O-N 2.8Å
304	T	75.1	Confident	77.5	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-43.2	179	-51.3	0	0	0	0	111.7	E300 L301 K302 A306 R307 C308 F433	E300-T304 WeakPolarHBondContact O-CB 3.02Å; E300-T304 PolarHBondContact O-N 3.27Å; E300-T304 PolarHBondContact O-OG1 2.92Å; L301-T304 PolarHBondContact O-N 3.17Å; K302-T304 VanDerWaalsContact C-N 3.3Å; K302-T304 PolarHBondContact O-N 3.5Å; T304-A306 VanDerWaalsContact C-N 3.3Å; T304-A306 PolarHBondContact O-N 3.12Å; T304-R307 PolarHBondContact O-N 2.91Å; T304-R307 PolarHBondContact OG1-NH2 3.48Å; T304-R307 VanDerWaalsContact OG1-NH2 3.11Å; T304-C308 WeakPolarHBondContact O-CB 3.36Å; T304-C308 PolarHBondContact O-N 3.18Å; T304-C308 PolarHBondContact O-SG 3.4Å; T304-F433 HydrophobicContact CG2-CD2 3.74Å; T304-F433 HydrophobicContact CG2-CE2 3.48Å; T304-F433 VanDerWaalsContact CG2-CE2 3.48Å; T304-F433 HydrophobicContact CG2-CZ 4.48Å
305	M	75.6	Confident	76.7	Confident	34 Å²	34	62.9 Å²	62.9	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-56.6	-44.6	173.4	-73.1	171.8	61.9	0	0	112.2	L301 K302 C308 G309 L310 V312 L314 L317	L301-M305 VanDerWaalsContact O-CG 3.28Å; L301-M305 WeakPolarHBondContact O-CG 3.34Å; L301-M305 PolarHBondContact O-N 3.43Å; K302-M305 PolarHBondContact O-N 3.35Å; M305-C308 PolarHBondContact O-N 2.95Å; M305-G309 PolarHBondContact O-N 3.03Å; M305-L310 HydrophobicContact CB-CB 4.37Å; M305-L310 WeakPolarHBondContact CE-O 3.38Å; M305-L310 HydrophobicContact CG-CB 4.29Å; M305-L310 PolarHBondContact O-N 2.89Å; M305-V312 WeakPolarHBondContact CE-O 2.96Å; M305-L314 HydrophobicContact SD-CD2 3.42Å; M305-L314 WeakPolarHBondContact SD-CD2 3.41Å; M305-L314 HydrophobicContact SD-CG 4.06Å; M305-L317 HydrophobicContact CG-CD1 3.67Å; M305-L317 HydrophobicContact SD-CD1 3.87Å
306	A	75.3	Confident	76.2	Confident	83 Å²	83	56.5 Å²	56.5	69%	0.686	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-42.4	178.6	0	0	0	0	0	112.1	K302 A303 T304	K302-A306 PolarHBondContact O-N 2.85Å; A303-A306 PolarHBondContact O-N 3.33Å; T304-A306 VanDerWaalsContact C-N 3.3Å; T304-A306 PolarHBondContact O-N 3.12Å
307	R	71.6	Confident	76	Confident	116 Å²	116	55 Å²	55	44%	0.438	31%	0.313	S	S	.	.	H	α-helix	trans	-65.8	-38.1	175.5	-68.4	-171	-42.1	-105.5	-3.7	112.5	A303 T304 C426 D430	A303-R307 WeakPolarHBondContact O-CG 2.87Å; A303-R307 PolarHBondContact O-N 2.8Å; T304-R307 PolarHBondContact O-N 2.91Å; T304-R307 PolarHBondContact OG1-NH2 3.48Å; T304-R307 VanDerWaalsContact OG1-NH2 3.11Å; R307-C426 PolarHBondContact NH2-SG 3.46Å; R307-D430 IonicContact CZ-OD1 2.91Å; R307-D430 IonicContact NE-OD1 2.85Å; R307-D430 PolarHBondContact NE-OD1 3.33Å; R307-D430 IonicContact NH2-OD1 3.23Å; R307-D430 PolarHBondContact NH2-OD1 3.41Å
308	C	65.7	Low	76	Confident	8 Å²	8	55.1 Å²	55.1	5%	0.054	31%	0.314	C	S	.	.	H	α-helix	trans	-90	-5.3	-174.4	-64.8	0	0	0	0	114.1	T304 M305 L310 M450	T304-C308 WeakPolarHBondContact O-CB 3.36Å; T304-C308 PolarHBondContact O-N 3.18Å; T304-C308 PolarHBondContact O-SG 3.4Å; M305-C308 PolarHBondContact O-N 2.95Å; C308-L310 HydrophobicContact CB-CD1 3.81Å; C308-L310 HydrophobicContact CB-CG 3.81Å; C308-L310 PolarHBondContact O-N 3.37Å; C308-M450 HydrophobicContact CB-CE 3.51Å; C308-M450 HydrophobicContact CB-SD 4.21Å; C308-M450 WeakPolarHBondContact O-CE 3.19Å
309	G	67.6	Low	76.3	Confident	60 Å²	60	53.3 Å²	53.3	62%	0.619	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	32.5	-175.1	0	0	0	0	0	113.3	M305	M305-G309 PolarHBondContact O-N 3.03Å
310	L	68.9	Low	76.8	Confident	26 Å²	26	45.5 Å²	45.5	14%	0.136	27%	0.271	C	S	.	.			trans	-85.8	117.3	179.3	-69.4	167.7	0	0	0	110	M305 C308 V312 L317 F433	M305-L310 HydrophobicContact CB-CB 4.37Å; M305-L310 WeakPolarHBondContact CE-O 3.38Å; M305-L310 HydrophobicContact CG-CB 4.29Å; M305-L310 PolarHBondContact O-N 2.89Å; C308-L310 HydrophobicContact CB-CD1 3.81Å; C308-L310 HydrophobicContact CB-CG 3.81Å; C308-L310 PolarHBondContact O-N 3.37Å; L310-V312 HydrophobicContact CB-CG2 4.28Å; L310-L317 HydrophobicContact CD1-CD2 4.29Å; L310-F433 HydrophobicContact CD1-CB 4.33Å; L310-F433 HydrophobicContact CD1-CG 4.41Å
311	D	69.9	Low	77.4	Confident	164 Å²	164	43.7 Å²	43.7	88%	0.877	26%	0.263	S	S	*	.			trans	-101.7	65.2	173.6	-168.4	23.2	0	0	0	110.7
312	V	71.7	Confident	78	Confident	50 Å²	50	43.7 Å²	43.7	30%	0.303	26%	0.263	S	S	.	.	S	Bend	trans	-132	148.8	179.9	-63.6	0	0	0	0	110.9	M305 L310 T316 L317	M305-V312 WeakPolarHBondContact CE-O 2.96Å; L310-V312 HydrophobicContact CB-CG2 4.28Å; V312-T316 WeakPolarHBondContact CB-OG1 3.48Å; V312-T316 WeakPolarHBondContact CG2-OG1 3.32Å; V312-L317 HydrophobicContact CG2-CD2 3.89Å
313	P	76.3	Confident	78.6	Confident	84 Å²	84	37.9 Å²	37.9	55%	0.545	24%	0.237	S	C	.	.			trans	-56.9	143.8	173.4	-23.3	33.3	0	0	0	111.4	S315 T316	P313-S315 PolarHBondContact O-N 3.38Å; P313-T316 HydrophobicContact CB-CG2 4.39Å; P313-T316 HydrophobicContact CG-CG2 4.45Å; P313-T316 WeakPolarHBondContact O-CB 3.49Å; P313-T316 PolarHBondContact O-N 3.08Å; P313-T316 PolarHBondContact O-OG1 3.11Å
314	L	75.6	Confident	79.4	Confident	37 Å²	37	36 Å²	36	19%	0.194	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-53.1	-29.2	177.6	-73.3	169.4	0	0	0	113	T298 L301 K302 M305 T316 L317	T298-L314 HydrophobicContact CG2-CD1 3.92Å; L301-L314 HydrophobicContact CB-CD2 3.5Å; L301-L314 HydrophobicContact CD1-CD2 4.5Å; K302-L314 HydrophobicContact CG-CD1 4.08Å; K302-L314 HydrophobicContact CG-CD2 4.05Å; M305-L314 HydrophobicContact SD-CD2 3.42Å; M305-L314 WeakPolarHBondContact SD-CD2 3.41Å; M305-L314 HydrophobicContact SD-CG 4.06Å; L314-T316 PolarHBondContact O-N 3.16Å; L314-L317 HydrophobicContact CD2-CD1 4.17Å; L314-L317 WeakPolarHBondContact O-CB 3.19Å; L314-L317 PolarHBondContact O-N 3.37Å; L314-L317 VanDerWaalsContact O-N 3.16Å
315	S	71.3	Confident	80.3	Confident	42 Å²	42	36.1 Å²	36.1	29%	0.294	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-62.2	-26.3	178	55.3	0	0	0	0	114.4	P313 L317 E358 F360 S361	P313-S315 PolarHBondContact O-N 3.38Å; S315-L317 VanDerWaalsContact C-N 3.29Å; S315-L317 PolarHBondContact O-N 2.93Å; S315-E358 WeakPolarHBondContact CA-O 3.12Å; S315-E358 WeakPolarHBondContact CB-O 3.31Å; S315-F360 CarbonylContact O-C 3.52Å; S315-S361 VanDerWaalsContact O-CA 3.32Å; S315-S361 WeakPolarHBondContact O-CA 3.19Å; S315-S361 PolarHBondContact O-N 3.1Å
316	T	75.6	Confident	81.1	Confident	36 Å²	36	34.9 Å²	34.9	22%	0.221	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-74.3	-21.4	178.4	64.5	0	0	0	0	112.6	V312 P313 L314 G318 S361 T393	V312-T316 WeakPolarHBondContact CB-OG1 3.48Å; V312-T316 WeakPolarHBondContact CG2-OG1 3.32Å; P313-T316 HydrophobicContact CB-CG2 4.39Å; P313-T316 HydrophobicContact CG-CG2 4.45Å; P313-T316 WeakPolarHBondContact O-CB 3.49Å; P313-T316 PolarHBondContact O-N 3.08Å; P313-T316 PolarHBondContact O-OG1 3.11Å; L314-T316 PolarHBondContact O-N 3.16Å; T316-G318 VanDerWaalsContact C-N 3.34Å; T316-G318 PolarHBondContact O-N 3.42Å; T316-S361 WeakPolarHBondContact O-CB 3.32Å; T316-T393 WeakPolarHBondContact O-CB 3.35Å; T316-T393 WeakPolarHBondContact O-CG2 3.46Å; T316-T393 PolarHBondContact O-OG1 3.06Å
317	L	80.4	Confident	81.9	Confident	1 Å²	1	31 Å²	31	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-80.9	-12.7	-172.5	-59.3	-179.1	0	0	0	113.9	L301 M305 L310 V312 L314 S315 T393 R394 F433	L301-L317 HydrophobicContact CB-CD1 4.13Å; L301-L317 HydrophobicContact CD2-CB 4.17Å; L301-L317 HydrophobicContact CD2-CD1 4Å; M305-L317 HydrophobicContact CG-CD1 3.67Å; M305-L317 HydrophobicContact SD-CD1 3.87Å; L310-L317 HydrophobicContact CD1-CD2 4.29Å; V312-L317 HydrophobicContact CG2-CD2 3.89Å; L314-L317 HydrophobicContact CD2-CD1 4.17Å; L314-L317 WeakPolarHBondContact O-CB 3.19Å; L314-L317 PolarHBondContact O-N 3.37Å; L314-L317 VanDerWaalsContact O-N 3.16Å; S315-L317 VanDerWaalsContact C-N 3.29Å; S315-L317 PolarHBondContact O-N 2.93Å; L317-T393 HydrophobicContact CD2-CG2 3.58Å; L317-R394 VanDerWaalsContact O-CZ 3.28Å; L317-R394 PolarHBondContact O-NE 3.35Å; L317-R394 PolarHBondContact O-NH2 3.13Å; L317-F433 HydrophobicContact CB-CE1 3.95Å; L317-F433 HydrophobicContact CD2-CD1 3.97Å; L317-F433 HydrophobicContact CD2-CE1 3.86Å; L317-F433 HydrophobicContact CG-CE1 4.34Å
318	G	85.9	Confident	82.6	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	18%	0.175	C	C	.	.	S	Bend	trans	-84.3	173.3	179.6	0	0	0	0	0	114.7	T316 A359 S361	T316-G318 VanDerWaalsContact C-N 3.34Å; T316-G318 PolarHBondContact O-N 3.42Å; G318-A359 VanDerWaalsContact CA-O 3.27Å; G318-A359 WeakPolarHBondContact CA-O 3.41Å; G318-S361 WeakPolarHBondContact O-CB 3.25Å; G318-S361 PolarHBondContact O-OG 3.45Å
319	P	91.2	Very high	83.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-63.2	154.3	175.3	22.6	-28.7	0	0	0	112	L263 S266 D267 I269 F360 S361	L263-P319 HydrophobicContact CD2-CG 4.47Å; S266-P319 WeakPolarHBondContact O-CB 3.39Å; D267-P319 WeakPolarHBondContact O-CA 3.32Å; I269-P319 HydrophobicContact CD1-CB 3.64Å; I269-P319 HydrophobicContact CD1-CG 3.33Å; I269-P319 HydrophobicContact CG1-CB 4.06Å; I269-P319 HydrophobicContact CG1-CG 4.25Å; P319-F360 HydrophobicContact CG-CD1 4.04Å; P319-F360 HydrophobicContact CG-CE1 4.35Å; P319-F360 WeakPolarHBondContact O-CA 3.33Å; P319-F360 WeakPolarHBondContact O-CB 3.36Å; P319-S361 PolarHBondContact O-N 3.2Å; P319-S361 VanDerWaalsContact O-N 3.15Å; P319-S361 PolarHBondContact O-OG 3.23Å
320	A	92.6	Very high	84.4	Confident	11 Å²	11	33.5 Å²	33.5	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	148.3	166.2	0	0	0	0	0	110.2	D267 L268 I269 S361 S362	D267-A320 PolarHBondContact O-N 2.86Å; L268-A320 CarbonylContact C-O 3.49Å; L268-A320 WeakPolarHBondContact CA-O 3.24Å; L268-A320 HydrophobicContact CD1-CB 3.78Å; I269-A320 PolarHBondContact N-O 3.08Å; A320-S361 PolarHBondContact N-OG 2.81Å; A320-S362 WeakPolarHBondContact CB-OG 3.33Å
321	V	93.1	Very high	85.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.3	179.1	-177.4	0	0	0	0	110.7	I269 F360 S362 F363 Q364	I269-V321 HydrophobicContact CB-CG2 4.27Å; I269-V321 HydrophobicContact CD1-CG2 4.31Å; I269-V321 CarbonylContact O-C 3.55Å; I269-V321 WeakPolarHBondContact O-CA 3.45Å; V321-F360 HydrophobicContact CG2-CB 4Å; V321-F360 HydrophobicContact CG2-CD1 3.28Å; V321-F360 HydrophobicContact CG2-CD2 4.29Å; V321-F360 HydrophobicContact CG2-CE1 3.67Å; V321-F360 HydrophobicContact CG2-CG 3.61Å; V321-F360 HydrophobicContact CG2-CZ 4.3Å; V321-S362 PolarHBondContact N-O 3.33Å; V321-F363 HydrophobicContact CB-CD1 4.04Å; V321-F363 HydrophobicContact CB-CE1 3.8Å; V321-F363 HydrophobicContact CB-CZ 4.14Å; V321-F363 HydrophobicContact CG1-CD1 4.15Å; V321-F363 HydrophobicContact CG1-CE1 3.79Å; V321-F363 HydrophobicContact CG1-CZ 4.48Å; V321-F363 HydrophobicContact CG2-CE1 4.16Å; V321-F363 HydrophobicContact CG2-CZ 4.04Å; V321-Q364 PolarHBondContact O-N 3.36Å
322	V	94.3	Very high	86.1	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117	170.5	178.4	0	0	0	0	109	L268 I269 I270 Y271 F324 Q364 W366 L380 L384 L387	L268-V322 HydrophobicContact CD1-CG2 3.99Å; I269-V322 PolarHBondContact O-N 3.06Å; I270-V322 CarbonylContact C-O 3.53Å; I270-V322 WeakPolarHBondContact CA-O 3.35Å; Y271-V322 PolarHBondContact N-O 3.15Å; V322-F324 PolarHBondContact O-N 3.25Å; V322-Q364 CarbonylContact C-O 3.55Å; V322-Q364 VanDerWaalsContact CA-O 3.32Å; V322-Q364 WeakPolarHBondContact CA-O 3.2Å; V322-W366 HydrophobicContact CG1-CB 4.21Å; V322-L380 HydrophobicContact CG1-CD1 4.17Å; V322-L384 HydrophobicContact CB-CD2 4.49Å; V322-L384 HydrophobicContact CG2-CD2 4.17Å; V322-L387 HydrophobicContact CG2-CD1 3.21Å
323	I	94.7	Very high	86.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	104.6	169.1	-60.6	168.6	0	0	0	107.2	Y271 L278 L282 L286 L346 Q364 Y365 W366	Y271-I323 CarbonylContact O-C 3.54Å; Y271-I323 WeakPolarHBondContact O-CA 3.43Å; L278-I323 HydrophobicContact CD2-CG2 4.18Å; L282-I323 HydrophobicContact CD1-CG2 4.02Å; L282-I323 HydrophobicContact CD2-CD1 3.94Å; L286-I323 HydrophobicContact CD1-CD1 4.47Å; L286-I323 HydrophobicContact CD1-CG1 4.48Å; I323-L346 HydrophobicContact CD1-CD1 4.36Å; I323-L346 HydrophobicContact CD1-CD2 4.16Å; I323-Q364 PolarHBondContact N-O 2.75Å; I323-Y365 HydrophobicContact CB-CD2 4.43Å; I323-Y365 HydrophobicContact CG2-CD2 4.24Å; I323-W366 PolarHBondContact O-N 2.8Å
324	F	95.2	Very high	86.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	106.3	173.2	179.4	-135.7	0	0	0	110	T202 I270 Y271 T273 V322 W366 F377 L380	T202-F324 HydrophobicContact CG2-CD1 3.74Å; T202-F324 HydrophobicContact CG2-CE1 3.73Å; I270-F324 HydrophobicContact CG2-CB 3.98Å; Y271-F324 PolarHBondContact O-N 3.49Å; T273-F324 PolarHBondContact N-O 3.39Å; V322-F324 PolarHBondContact O-N 3.25Å; F324-W366 WeakPolarHBondContact CA-O 3.34Å; F324-W366 AromaticContact CD2-CD1 3.84Å; F324-W366 AromaticContact CE2-CD1 3.96Å; F324-F377 HydrophobicContact CE1-CD1 4.02Å; F324-F377 AromaticContact CE1-CE1 3.72Å; F324-F377 HydrophobicContact CE1-CE1 3.72Å; F324-F377 AromaticContact CZ-CD1 3.98Å; F324-F377 HydrophobicContact CZ-CD1 3.98Å; F324-F377 AromaticContact CZ-CE1 3.94Å; F324-F377 HydrophobicContact CZ-CE1 3.94Å; F324-L380 HydrophobicContact CB-CD1 4.19Å; F324-L380 HydrophobicContact CB-CD2 4.47Å; F324-L380 HydrophobicContact CD1-CD2 3.61Å; F324-L380 HydrophobicContact CD2-CB 4.46Å; F324-L380 HydrophobicContact CD2-CD1 4.11Å; F324-L380 HydrophobicContact CD2-CD2 4.07Å; F324-L380 HydrophobicContact CD2-CG 4.44Å; F324-L380 HydrophobicContact CE1-CD2 3.69Å; F324-L380 HydrophobicContact CE2-CB 4.28Å; F324-L380 HydrophobicContact CE2-CD2 4.17Å; F324-L380 HydrophobicContact CG-CD1 4.11Å; F324-L380 HydrophobicContact CG-CD2 3.8Å; F324-L380 HydrophobicContact CG-CG 4.49Å; F324-L380 HydrophobicContact CZ-CD2 4Å
325	H	93.9	Very high	86.8	Confident	5 Å²	5	32.1 Å²	32.1	2%	0.023	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.5	-174.9	-179.8	-162.4	0	0	0	109.9	T273 A275 L278 T327 Y365 W366 G367 T368	T273-H325 HydrophobicContact CG2-CB 4.01Å; A275-H325 PolarHBondContact O-CD2 3.39Å; A275-H325 PolarHBondContact O-NE2 3.46Å; L278-H325 HydrophobicContact CD2-CB 4.09Å; H325-T327 VanDerWaalsContact CE1-CG2 3.43Å; H325-T327 WeakPolarHBondContact CE1-CG2 3.4Å; H325-T327 WeakPolarHBondContact NE2-CG2 3.37Å; H325-Y365 HydrophobicContact CB-CD2 4.38Å; H325-Y365 HydrophobicContact CB-CE2 3.43Å; H325-Y365 VanDerWaalsContact CB-CE2 3.43Å; H325-Y365 AromaticContact CG-CE2 3.9Å; H325-Y365 AromaticContact ND1-CE2 3.54Å; H325-Y365 AromaticContact ND1-CZ 3.72Å; H325-Y365 PolarHBondContact ND1-OH 3.05Å; H325-W366 PolarHBondContact N-O 2.95Å; H325-G367 CarbonylContact O-C 3.57Å; H325-G367 VanDerWaalsContact O-CA 3.29Å; H325-G367 WeakPolarHBondContact O-CA 3.47Å; H325-T368 PolarHBondContact O-N 2.91Å
326	E	92.4	Very high	86.7	Confident	7 Å²	7	35.7 Å²	35.7	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.6	172.1	-178.5	170.4	-177.4	0	0	110.6	R272 T273 H274 T368 T370 T375	R272-E326 IonicContact CZ-OE2 2.63Å; R272-E326 IonicContact NH1-OE2 2.78Å; R272-E326 PolarHBondContact NH1-OE2 2.96Å; R272-E326 IonicContact NH2-OE2 2.84Å; R272-E326 PolarHBondContact NH2-OE2 2.98Å; T273-E326 PolarHBondContact O-N 2.88Å; H274-E326 IonicContact CD2-OE2 2.9Å; E326-T368 VanDerWaalsContact CA-O 3.3Å; E326-T368 WeakPolarHBondContact CA-O 3.45Å; E326-T370 VanDerWaalsContact OE1-CB 3.27Å; E326-T370 WeakPolarHBondContact OE1-CB 3.45Å; E326-T370 PolarHBondContact OE1-OG1 2.71Å; E326-T375 HydrophobicContact CG-CG2 4.39Å; E326-T375 WeakPolarHBondContact OE1-CB 3.38Å; E326-T375 WeakPolarHBondContact OE1-CG2 3.38Å; E326-T375 PolarHBondContact OE1-OG1 2.89Å; E326-T375 WeakPolarHBondContact OE2-CG2 3.31Å; E326-T375 PolarHBondContact OE2-OG1 3.5Å
327	T	91.5	Very high	85.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	154.2	174.3	66.6	0	0	0	0	110.8	H325 T330 L332 T368 Q369 T370	H325-T327 VanDerWaalsContact CE1-CG2 3.43Å; H325-T327 WeakPolarHBondContact CE1-CG2 3.4Å; H325-T327 WeakPolarHBondContact NE2-CG2 3.37Å; T327-T330 WeakPolarHBondContact CB-O 3.23Å; T327-T330 WeakPolarHBondContact CB-OG1 3.37Å; T327-T330 WeakPolarHBondContact CG2-OG1 3.36Å; T327-T330 PolarHBondContact OG1-O 3.3Å; T327-L332 HydrophobicContact CG2-CD2 4.02Å; T327-L332 WeakPolarHBondContact OG1-CD2 3.17Å; T327-T368 PolarHBondContact N-O 3.33Å; T327-Q369 CarbonylContact O-C 3.56Å; T327-Q369 VanDerWaalsContact O-CA 3.29Å; T327-Q369 WeakPolarHBondContact O-CA 3.34Å; T327-T370 PolarHBondContact O-N 3.15Å
328	V	87.4	Confident	84.7	Confident	42 Å²	42	45.2 Å²	45.2	26%	0.255	25%	0.25	S	C	.	.	S	Bend	trans	-108.5	-58.6	172.8	-175	0	0	0	0	109.5	Q369	V328-Q369 PolarHBondContact O-NE2 3.2Å; V328-Q369 VanDerWaalsContact O-NE2 3.14Å
329	H	84.4	Confident	83.1	Confident	163 Å²	163	53 Å²	53	76%	0.755	29%	0.29	S	S	*	.	S	Bend	trans	-104.3	-6.4	-169.7	-57.6	-58.8	0	0	0	114.4
330	T	87.3	Confident	81.7	Confident	32 Å²	32	56.2 Å²	56.2	20%	0.196	31%	0.305	C	S	.	.	S	Bend	trans	-111.3	148.9	-177.4	54.7	0	0	0	0	112	D276 T327 Q369	D276-T330 HydrophobicContact CB-CG2 3.77Å; D276-T330 WeakPolarHBondContact O-CB 3.09Å; D276-T330 WeakPolarHBondContact O-CG2 3.49Å; D276-T330 PolarHBondContact O-OG1 3.23Å; T327-T330 WeakPolarHBondContact CB-O 3.23Å; T327-T330 WeakPolarHBondContact CB-OG1 3.37Å; T327-T330 WeakPolarHBondContact CG2-OG1 3.36Å; T327-T330 PolarHBondContact OG1-O 3.3Å; T330-Q369 PolarHBondContact O-NE2 3.42Å
331	K	85.8	Confident	80.9	Confident	136 Å²	136	59 Å²	59	59%	0.591	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-67.5	146.7	171.2	-64.1	-178.6	173.2	179.3	0	110.5	S335 D336	K331-S335 VanDerWaalsContact CB-OG 3.32Å; K331-S335 WeakPolarHBondContact CB-OG 3.39Å; K331-S335 WeakPolarHBondContact CD-OG 3.48Å; K331-D336 WeakPolarHBondContact CD-OD1 3.38Å; K331-D336 IonicContact NZ-OD1 3.92Å; K331-D336 PolarHBondContact NZ-OD1 3.1Å; K331-D336 IonicContact NZ-OD2 2.77Å
332	L	88.4	Confident	80.5	Confident	45 Å²	45	60.9 Å²	60.9	24%	0.236	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-67.8	157.2	177.8	-60.5	176.6	0	0	0	112.1	T327 G334 S335 Q369	T327-L332 HydrophobicContact CG2-CD2 4.02Å; T327-L332 WeakPolarHBondContact OG1-CD2 3.17Å; L332-G334 PolarHBondContact O-N 3.28Å; L332-S335 WeakPolarHBondContact O-CB 3.41Å; L332-S335 PolarHBondContact O-N 3.49Å; L332-S335 VanDerWaalsContact O-N 3.16Å; L332-S335 PolarHBondContact O-OG 2.9Å; L332-Q369 HydrophobicContact CD2-CB 4.48Å; L332-Q369 HydrophobicContact CG-CB 4.46Å
333	L	85.1	Confident	79.8	Confident	57 Å²	57	64.4 Å²	64.4	30%	0.298	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	125.3	175.1	-177.5	67.4	0	0	0	109.8	L278 V342 L345 L346 Y365	L278-L333 HydrophobicContact CD1-CD2 3.94Å; L333-V342 HydrophobicContact CD2-CG1 3.68Å; L333-V342 HydrophobicContact CG-CG1 4.02Å; L333-L345 HydrophobicContact CD1-CD1 4.15Å; L333-L345 HydrophobicContact CG-CD1 4.32Å; L333-L346 HydrophobicContact CD2-CD2 3.67Å; L333-L346 HydrophobicContact CD2-CG 4.24Å; L333-Y365 HydrophobicContact CB-CD1 4.49Å; L333-Y365 HydrophobicContact CB-CE1 3.88Å; L333-Y365 HydrophobicContact CB-CE2 4.11Å; L333-Y365 HydrophobicContact CD2-CD2 4.38Å; L333-Y365 PolarHBondContact N-OH 2.81Å
334	G	77.3	Confident	79.2	Confident	30 Å²	30	72.1 Å²	72.1	31%	0.309	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-0.6	-179.8	0	0	0	0	0	115.3	L332 D336	L332-G334 PolarHBondContact O-N 3.28Å; G334-D336 PolarHBondContact O-N 3.26Å
335	S	75.5	Confident	78.8	Confident	64 Å²	64	73.5 Å²	73.5	45%	0.448	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27	-179.9	63.8	0	0	0	0	115	K331 L332	K331-S335 VanDerWaalsContact CB-OG 3.32Å; K331-S335 WeakPolarHBondContact CB-OG 3.39Å; K331-S335 WeakPolarHBondContact CD-OG 3.48Å; L332-S335 WeakPolarHBondContact O-CB 3.41Å; L332-S335 PolarHBondContact O-N 3.49Å; L332-S335 VanDerWaalsContact O-N 3.16Å; L332-S335 PolarHBondContact O-OG 2.9Å
336	D	67.9	Low	78.5	Confident	118 Å²	118	73.4 Å²	73.4	63%	0.631	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-0.9	-169.2	-62.6	-23.2	0	0	0	113.5	K331 G334	K331-D336 WeakPolarHBondContact CD-OD1 3.38Å; K331-D336 IonicContact NZ-OD1 3.92Å; K331-D336 PolarHBondContact NZ-OD1 3.1Å; K331-D336 IonicContact NZ-OD2 2.77Å; G334-D336 PolarHBondContact O-N 3.26Å
337	K	59.3	Low	78.2	Confident	112 Å²	112	77.5 Å²	77.5	49%	0.487	41%	0.412	S	S	.	.			trans	-129.8	106	-177.4	-66.4	-168.8	-178.1	-172.2	0	111.9	L339 E340	K337-L339 PolarHBondContact O-N 2.89Å; K337-L339 VanDerWaalsContact O-N 3.15Å; K337-E340 HydrophobicContact CD-CG 4.5Å; K337-E340 WeakPolarHBondContact CD-OE2 3.47Å; K337-E340 WeakPolarHBondContact CE-OE2 3.46Å; K337-E340 IonicContact NZ-OE1 2.61Å; K337-E340 PolarHBondContact NZ-OE1 3.33Å; K337-E340 IonicContact NZ-OE2 3.05Å; K337-E340 PolarHBondContact NZ-OE2 3.3Å
338	S	55.4	Low	78	Confident	124 Å²	124	81.1 Å²	81.1	87%	0.867	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	3.8	-176.8	62.3	0	0	0	0	115.8
339	L	53.4	Low	78	Confident	167 Å²	167	85.1 Å²	85.1	87%	0.874	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-11.5	-170.8	-80	158.3	0	0	0	115.1	K337	K337-L339 PolarHBondContact O-N 2.89Å; K337-L339 VanDerWaalsContact O-N 3.15Å
340	E	61.3	Low	78.3	Confident	67 Å²	67	77.5 Å²	77.5	31%	0.313	40%	0.404	S	S	.	.	S	Bend	trans	-103.2	125.6	179.4	-78.4	175.8	-176	0	0	110.4	K337 V342 L345	K337-E340 HydrophobicContact CD-CG 4.5Å; K337-E340 WeakPolarHBondContact CD-OE2 3.47Å; K337-E340 WeakPolarHBondContact CE-OE2 3.46Å; K337-E340 IonicContact NZ-OE1 2.61Å; K337-E340 PolarHBondContact NZ-OE1 3.33Å; K337-E340 IonicContact NZ-OE2 3.05Å; K337-E340 PolarHBondContact NZ-OE2 3.3Å; E340-V342 PolarHBondContact O-N 3.36Å; E340-L345 WeakPolarHBondContact OE2-CD2 3.5Å
341	S	75.9	Confident	78.4	Confident	69 Å²	69	84.9 Å²	84.9	48%	0.483	43%	0.428	S	S	.	.			trans	-64.9	135.1	172.8	61.9	0	0	0	0	110.2	D343 R344 L345	S341-D343 PolarHBondContact O-N 3.44Å; S341-R344 WeakPolarHBondContact O-CB 3.46Å; S341-R344 PolarHBondContact O-N 3.24Å; S341-R344 WeakPolarHBondContact OG-CB 3.33Å; S341-L345 PolarHBondContact O-N 2.85Å
342	V	83.4	Confident	78.7	Confident	40 Å²	40	84.6 Å²	84.6	24%	0.242	43%	0.427	C	S	.	.	H	α-helix	trans	-56.6	-36.4	-179.5	-179.1	0	0	0	0	111.5	L333 E340 R344 L345 L346 Y365	L333-V342 HydrophobicContact CD2-CG1 3.68Å; L333-V342 HydrophobicContact CG-CG1 4.02Å; E340-V342 PolarHBondContact O-N 3.36Å; V342-R344 VanDerWaalsContact C-N 3.26Å; V342-R344 PolarHBondContact O-N 2.85Å; V342-L345 WeakPolarHBondContact O-CB 3.43Å; V342-L345 PolarHBondContact O-N 3.19Å; V342-L346 PolarHBondContact O-N 3.46Å; V342-L346 VanDerWaalsContact O-N 3.08Å; V342-Y365 HydrophobicContact CG1-CD1 3.56Å; V342-Y365 HydrophobicContact CG1-CE1 4.38Å; V342-Y365 HydrophobicContact CG1-CG 3.76Å
343	D	79.5	Confident	78.8	Confident	74 Å²	74	85.1 Å²	85.1	40%	0.396	43%	0.43	S	S	.	.	H	α-helix	trans	-59.4	-36.7	176.9	-55.4	-30.4	0	0	0	112.1	S341 L346 L347	S341-D343 PolarHBondContact O-N 3.44Å; D343-L346 PolarHBondContact O-N 2.99Å; D343-L347 WeakPolarHBondContact O-CG 3.34Å; D343-L347 PolarHBondContact O-N 2.84Å
344	R	82.8	Confident	79	Confident	162 Å²	162	86.7 Å²	86.7	61%	0.611	45%	0.446	S	S	*	.	H	α-helix	trans	-66.6	-38.8	175.9	-171.9	-179.5	176	177.6	-0.9	111.5	S341 V342 L346 L347 E348	S341-R344 WeakPolarHBondContact O-CB 3.46Å; S341-R344 PolarHBondContact O-N 3.24Å; S341-R344 WeakPolarHBondContact OG-CB 3.33Å; V342-R344 VanDerWaalsContact C-N 3.26Å; V342-R344 PolarHBondContact O-N 2.85Å; R344-L346 VanDerWaalsContact C-N 3.35Å; R344-L347 PolarHBondContact O-N 2.93Å; R344-E348 WeakPolarHBondContact O-CB 3.3Å; R344-E348 PolarHBondContact O-N 3.25Å
345	L	86.8	Confident	79.4	Confident	29 Å²	29	89 Å²	89	15%	0.152	45%	0.445	C	S	.	.	H	α-helix	trans	-63.7	-40.8	176.6	-67.3	173.9	0	0	0	111.7	L333 E340 S341 V342 E348 R349	L333-L345 HydrophobicContact CD1-CD1 4.15Å; L333-L345 HydrophobicContact CG-CD1 4.32Å; E340-L345 WeakPolarHBondContact OE2-CD2 3.5Å; S341-L345 PolarHBondContact O-N 2.85Å; V342-L345 WeakPolarHBondContact O-CB 3.43Å; V342-L345 PolarHBondContact O-N 3.19Å; L345-E348 PolarHBondContact O-N 3.45Å; L345-R349 WeakPolarHBondContact O-CG 3.37Å; L345-R349 PolarHBondContact O-N 3.49Å; L345-R349 VanDerWaalsContact O-N 3.16Å
346	L	88.3	Confident	79.7	Confident	2 Å²	2	90.7 Å²	90.7	1%	0.01	44%	0.444	C	S	.	.	H	α-helix	trans	-64.1	-47.6	175.7	-63.1	172.1	0	0	0	111.3	L278 F283 I323 L333 V342 D343 R344 E348 R349 F350	L278-L346 HydrophobicContact CD1-CD2 3.95Å; F283-L346 HydrophobicContact CE1-CB 4.48Å; F283-L346 HydrophobicContact CE1-CD2 4.06Å; F283-L346 HydrophobicContact CZ-CD2 3.97Å; I323-L346 HydrophobicContact CD1-CD1 4.36Å; I323-L346 HydrophobicContact CD1-CD2 4.16Å; L333-L346 HydrophobicContact CD2-CD2 3.67Å; L333-L346 HydrophobicContact CD2-CG 4.24Å; V342-L346 PolarHBondContact O-N 3.46Å; V342-L346 VanDerWaalsContact O-N 3.08Å; D343-L346 PolarHBondContact O-N 2.99Å; R344-L346 VanDerWaalsContact C-N 3.35Å; L346-E348 VanDerWaalsContact C-N 3.28Å; L346-E348 PolarHBondContact O-N 3.02Å; L346-R349 WeakPolarHBondContact O-CB 3.39Å; L346-R349 PolarHBondContact O-N 3.46Å; L346-R349 VanDerWaalsContact O-N 3.11Å; L346-F350 WeakPolarHBondContact O-CD2 3.36Å; L346-F350 PolarHBondContact O-N 3.35Å; L346-F350 VanDerWaalsContact O-N 3.08Å
347	L	85	Confident	80.5	Confident	93 Å²	93	85.8 Å²	85.8	49%	0.487	42%	0.419	S	S	.	.	H	α-helix	trans	-62.6	-35.6	178.8	-71.6	171.3	0	0	0	112.4	D343 R344 R349 F350 R351	D343-L347 WeakPolarHBondContact O-CG 3.34Å; D343-L347 PolarHBondContact O-N 2.84Å; R344-L347 PolarHBondContact O-N 2.93Å; L347-R349 VanDerWaalsContact C-N 3.34Å; L347-F350 PolarHBondContact O-N 2.83Å; L347-R351 PolarHBondContact O-N 3.48Å
348	E	87.4	Confident	81.9	Confident	78 Å²	78	86 Å²	86	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-36.2	174.9	-164.3	-176.4	147.8	0	0	112	R344 L345 L346 R351 K352	R344-E348 WeakPolarHBondContact O-CB 3.3Å; R344-E348 PolarHBondContact O-N 3.25Å; L345-E348 PolarHBondContact O-N 3.45Å; L346-E348 VanDerWaalsContact C-N 3.28Å; L346-E348 PolarHBondContact O-N 3.02Å; E348-R351 PolarHBondContact O-N 3.48Å; E348-K352 WeakPolarHBondContact O-CG 3.45Å; E348-K352 PolarHBondContact O-N 2.84Å; E348-K352 WeakPolarHBondContact OE1-CE 3.4Å; E348-K352 IonicContact OE1-NZ 3.72Å; E348-K352 PolarHBondContact OE1-NZ 3.3Å
349	R	88.9	Confident	83.4	Confident	125 Å²	125	80.1 Å²	80.1	47%	0.472	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-45.3	173.8	-70.9	-72.8	-177.7	-175	1.5	111.7	F283 L345 L346 L347 R351 K352 L353	F283-R349 HydrophobicContact CD1-CB 3.97Å; F283-R349 HydrophobicContact CD2-CB 4.35Å; F283-R349 HydrophobicContact CE1-CB 3.65Å; F283-R349 HydrophobicContact CE1-CG 4.41Å; F283-R349 HydrophobicContact CE2-CB 4.06Å; F283-R349 HydrophobicContact CE2-CG 4.32Å; F283-R349 HydrophobicContact CG-CB 4.32Å; F283-R349 HydrophobicContact CZ-CB 3.7Å; F283-R349 HydrophobicContact CZ-CG 4.01Å; L345-R349 WeakPolarHBondContact O-CG 3.37Å; L345-R349 PolarHBondContact O-N 3.49Å; L345-R349 VanDerWaalsContact O-N 3.16Å; L346-R349 WeakPolarHBondContact O-CB 3.39Å; L346-R349 PolarHBondContact O-N 3.46Å; L346-R349 VanDerWaalsContact O-N 3.11Å; L347-R349 VanDerWaalsContact C-N 3.34Å; R349-R351 PolarHBondContact O-N 3.05Å; R349-K352 PolarHBondContact O-N 3Å; R349-L353 PolarHBondContact O-N 3.47Å
350	F	90.3	Very high	85.1	Confident	3 Å²	3	72.8 Å²	72.8	1%	0.013	34%	0.342	C	S	.	.	H	α-helix	trans	-55.4	-49.2	172.2	-83.7	-67.8	0	0	0	111.7	F283 L286 L346 L347 K352 L353 S354 R355 P357 F363	F283-F350 HydrophobicContact CB-CD1 4.22Å; F283-F350 HydrophobicContact CB-CE1 4.09Å; F283-F350 HydrophobicContact CD1-CD1 4.07Å; F283-F350 AromaticContact CD1-CD2 3.7Å; F283-F350 HydrophobicContact CD1-CD2 3.7Å; F283-F350 AromaticContact CD1-CE1 3.95Å; F283-F350 HydrophobicContact CD1-CE1 3.95Å; F283-F350 AromaticContact CD1-CE2 3.57Å; F283-F350 HydrophobicContact CD1-CE2 3.57Å; F283-F350 AromaticContact CD1-CG 3.95Å; F283-F350 HydrophobicContact CD1-CG 3.95Å; F283-F350 AromaticContact CD1-CZ 3.7Å; F283-F350 HydrophobicContact CD1-CZ 3.7Å; F283-F350 HydrophobicContact CE1-CD2 4.1Å; F283-F350 AromaticContact CE1-CE2 3.96Å; F283-F350 HydrophobicContact CE1-CE2 3.96Å; F283-F350 HydrophobicContact CE1-CZ 4.45Å; F283-F350 WeakPolarHBondContact O-CE1 3.36Å; L286-F350 HydrophobicContact CB-CE1 4.14Å; L286-F350 HydrophobicContact CB-CZ 4Å; L286-F350 HydrophobicContact CD1-CZ 4.41Å; L346-F350 WeakPolarHBondContact O-CD2 3.36Å; L346-F350 PolarHBondContact O-N 3.35Å; L346-F350 VanDerWaalsContact O-N 3.08Å; L347-F350 PolarHBondContact O-N 2.83Å; F350-K352 PolarHBondContact O-N 3.42Å; F350-L353 CarbonylContact O-C 3.49Å; F350-L353 PolarHBondContact O-N 3.4Å; F350-L353 VanDerWaalsContact O-N 3.15Å; F350-S354 PolarHBondContact O-N 3.25Å; F350-R355 CarbonylContact C-O 3.55Å; F350-R355 WeakPolarHBondContact CB-O 3.35Å; F350-R355 HydrophobicContact CD1-CB 4.21Å; F350-R355 PolarHBondContact O-N 3.04Å; F350-P357 HydrophobicContact CD1-CB 4.31Å; F350-P357 HydrophobicContact CD1-CG 4.17Å; F350-P357 HydrophobicContact CD2-CG 3.97Å; F350-P357 HydrophobicContact CE1-CB 3.93Å; F350-P357 HydrophobicContact CE1-CG 4.15Å; F350-P357 HydrophobicContact CE2-CB 4.37Å; F350-P357 HydrophobicContact CE2-CG 3.94Å; F350-P357 HydrophobicContact CG-CG 4.09Å; F350-P357 HydrophobicContact CZ-CB 3.96Å; F350-P357 HydrophobicContact CZ-CG 4.04Å; F350-F363 HydrophobicContact CE2-CD1 4.12Å; F350-F363 HydrophobicContact CE2-CE1 4.11Å; F350-F363 HydrophobicContact CZ-CD1 4.39Å; F350-F363 AromaticContact CZ-CE1 3.92Å; F350-F363 HydrophobicContact CZ-CE1 3.92Å; F350-F363 HydrophobicContact CZ-CZ 4.26Å
351	R	88.9	Confident	86.4	Confident	188 Å²	188	72 Å²	72	71%	0.709	34%	0.344	S	S	*	.	H	α-helix	trans	-59.5	-41.5	176.8	-82.8	-177.4	95.2	151.8	4.9	113.4	L347 E348 R349 L353 S354 F356	L347-R351 PolarHBondContact O-N 3.48Å; E348-R351 PolarHBondContact O-N 3.48Å; R349-R351 PolarHBondContact O-N 3.05Å; R351-L353 PolarHBondContact O-N 2.62Å; R351-S354 PolarHBondContact O-N 3.05Å; R351-S354 VanDerWaalsContact O-N 3.08Å; R351-F356 HydrophobicContact CG-CE1 3.96Å
352	K	91.5	Very high	87	Confident	130 Å²	130	70.4 Å²	70.4	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-62.3	-31.2	178.6	-79	173.5	-178.1	163.9	0	112.6	E348 R349 F350 S354	E348-K352 WeakPolarHBondContact O-CG 3.45Å; E348-K352 PolarHBondContact O-N 2.84Å; E348-K352 WeakPolarHBondContact OE1-CE 3.4Å; E348-K352 IonicContact OE1-NZ 3.72Å; E348-K352 PolarHBondContact OE1-NZ 3.3Å; R349-K352 PolarHBondContact O-N 3Å; F350-K352 PolarHBondContact O-N 3.42Å; K352-S354 VanDerWaalsContact C-N 3.31Å
353	L	90.6	Very high	87.2	Confident	56 Å²	56	69.7 Å²	69.7	29%	0.293	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	4.9	177.8	-63.6	172.1	0	0	0	113	D280 F283 R349 F350 R351 R355	D280-L353 HydrophobicContact CB-CD1 3.98Å; D280-L353 HydrophobicContact CB-CD2 4.13Å; F283-L353 HydrophobicContact CB-CD1 3.48Å; F283-L353 VanDerWaalsContact CB-CD1 3.48Å; F283-L353 HydrophobicContact CD2-CD1 4.49Å; F283-L353 HydrophobicContact CG-CD1 4.22Å; R349-L353 PolarHBondContact O-N 3.47Å; F350-L353 CarbonylContact O-C 3.49Å; F350-L353 PolarHBondContact O-N 3.4Å; F350-L353 VanDerWaalsContact O-N 3.15Å; R351-L353 PolarHBondContact O-N 2.62Å; L353-R355 HydrophobicContact CB-CG 4.41Å; L353-R355 PolarHBondContact O-N 3.43Å
354	S	88.5	Confident	87.7	Confident	90 Å²	90	67.8 Å²	67.8	63%	0.629	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	36.6	-173.7	-59.3	0	0	0	0	112.5	F350 R351 K352	F350-S354 PolarHBondContact O-N 3.25Å; R351-S354 PolarHBondContact O-N 3.05Å; R351-S354 VanDerWaalsContact O-N 3.08Å; K352-S354 VanDerWaalsContact C-N 3.31Å
355	R	86.1	Confident	88.1	Confident	77 Å²	77	61.2 Å²	61.2	29%	0.291	29%	0.291	S	S	.	.			trans	-116.9	141.8	175.3	-70.6	-57.2	-168.3	-138.6	4.3	109.4	D288 D291 F350 L353	D288-R355 IonicContact OD1-CZ 2.68Å; D288-R355 IonicContact OD1-NE 2.94Å; D288-R355 PolarHBondContact OD1-NE 2.87Å; D288-R355 IonicContact OD1-NH2 3.34Å; D288-R355 PolarHBondContact OD1-NH2 3.38Å; D291-R355 IonicContact OD2-NH1 3.99Å; F350-R355 CarbonylContact C-O 3.55Å; F350-R355 WeakPolarHBondContact CB-O 3.35Å; F350-R355 HydrophobicContact CD1-CB 4.21Å; F350-R355 PolarHBondContact O-N 3.04Å; L353-R355 HydrophobicContact CB-CG 4.41Å; L353-R355 PolarHBondContact O-N 3.43Å
356	F	82.7	Confident	88.3	Confident	100 Å²	100	63.8 Å²	63.8	44%	0.439	30%	0.298	S	S	.	.			trans	-131.3	121.5	-179.3	-58.6	-84.7	0	0	0	109	S290 R351 E358	S290-F356 PolarHBondContact OG-O 2.66Å; R351-F356 HydrophobicContact CG-CE1 3.96Å; F356-E358 HydrophobicContact CB-CG 3.9Å; F356-E358 PolarHBondContact O-N 3.45Å
357	P	85.2	Confident	88.5	Confident	16 Å²	16	64.3 Å²	64.3	10%	0.104	30%	0.304	C	S	.	.			trans	-91	54	-172.9	43.1	-41.7	0	0	0	110.1	S290 F350 A359 F360 F363	S290-P357 WeakPolarHBondContact OG-CA 3.49Å; F350-P357 HydrophobicContact CD1-CB 4.31Å; F350-P357 HydrophobicContact CD1-CG 4.17Å; F350-P357 HydrophobicContact CD2-CG 3.97Å; F350-P357 HydrophobicContact CE1-CB 3.93Å; F350-P357 HydrophobicContact CE1-CG 4.15Å; F350-P357 HydrophobicContact CE2-CB 4.37Å; F350-P357 HydrophobicContact CE2-CG 3.94Å; F350-P357 HydrophobicContact CG-CG 4.09Å; F350-P357 HydrophobicContact CZ-CB 3.96Å; F350-P357 HydrophobicContact CZ-CG 4.04Å; P357-A359 PolarHBondContact O-N 3.27Å; P357-F360 HydrophobicContact CB-CD2 4.01Å; P357-F360 HydrophobicContact CB-CE2 4.41Å; P357-F360 PolarHBondContact O-N 2.76Å; P357-F363 HydrophobicContact CB-CD2 4.11Å; P357-F363 HydrophobicContact CB-CE1 4.34Å; P357-F363 HydrophobicContact CB-CE2 3.21Å; P357-F363 HydrophobicContact CB-CZ 3.36Å; P357-F363 HydrophobicContact CG-CD2 3.78Å; P357-F363 HydrophobicContact CG-CE2 3.39Å; P357-F363 HydrophobicContact CG-CZ 3.9Å
358	E	87.3	Confident	88.8	Confident	116 Å²	116	60.8 Å²	60.8	54%	0.542	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.8	-174.4	-67.4	-176.7	162.1	0	0	113.3	S290 L294 S315 F356 F360	S290-E358 PolarHBondContact OG-N 3.27Å; L294-E358 HydrophobicContact CD1-CB 3.75Å; S315-E358 WeakPolarHBondContact CA-O 3.12Å; S315-E358 WeakPolarHBondContact CB-O 3.31Å; F356-E358 HydrophobicContact CB-CG 3.9Å; F356-E358 PolarHBondContact O-N 3.45Å; E358-F360 PolarHBondContact O-N 3.36Å
359	A	87	Confident	89	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.008	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.9	177.5	0	0	0	0	0	113.9	S290 Y293 L294 G318 P357	S290-A359 VanDerWaalsContact CA-CB 3.48Å; S290-A359 WeakPolarHBondContact OG-CB 3.27Å; S290-A359 PolarHBondContact OG-N 3.46Å; Y293-A359 HydrophobicContact CD1-CB 3.63Å; Y293-A359 HydrophobicContact CE1-CB 4.5Å; Y293-A359 HydrophobicContact CG-CB 4Å; L294-A359 HydrophobicContact CD2-CB 4.5Å; L294-A359 HydrophobicContact CG-CB 4.09Å; G318-A359 VanDerWaalsContact CA-O 3.27Å; G318-A359 WeakPolarHBondContact CA-O 3.41Å; P357-A359 PolarHBondContact O-N 3.27Å
360	F	90.1	Very high	89	Confident	12 Å²	12	55.4 Å²	55.4	5%	0.053	27%	0.268	C	S	.	.	S	Bend	trans	-113.7	141	-169.9	-51.2	-79.9	0	0	0	111.4	L263 I269 L286 A289 S315 P319 V321 P357 E358 S362 F363	L263-F360 HydrophobicContact CD2-CE1 3.77Å; L263-F360 HydrophobicContact CD2-CZ 4.33Å; I269-F360 HydrophobicContact CD1-CD1 4.41Å; I269-F360 HydrophobicContact CD1-CE1 4Å; L286-F360 WeakPolarHBondContact O-CE2 3.48Å; A289-F360 HydrophobicContact CB-CZ 4.45Å; S315-F360 CarbonylContact O-C 3.52Å; P319-F360 HydrophobicContact CG-CD1 4.04Å; P319-F360 HydrophobicContact CG-CE1 4.35Å; P319-F360 WeakPolarHBondContact O-CA 3.33Å; P319-F360 WeakPolarHBondContact O-CB 3.36Å; V321-F360 HydrophobicContact CG2-CB 4Å; V321-F360 HydrophobicContact CG2-CD1 3.28Å; V321-F360 HydrophobicContact CG2-CD2 4.29Å; V321-F360 HydrophobicContact CG2-CE1 3.67Å; V321-F360 HydrophobicContact CG2-CG 3.61Å; V321-F360 HydrophobicContact CG2-CZ 4.3Å; P357-F360 HydrophobicContact CB-CD2 4.01Å; P357-F360 HydrophobicContact CB-CE2 4.41Å; P357-F360 PolarHBondContact O-N 2.76Å; E358-F360 PolarHBondContact O-N 3.36Å; F360-S362 VanDerWaalsContact C-N 3.33Å; F360-S362 PolarHBondContact O-N 2.72Å; F360-F363 HydrophobicContact CB-CD2 4.31Å; F360-F363 HydrophobicContact CB-CE2 3.52Å; F360-F363 HydrophobicContact CB-CZ 4.06Å; F360-F363 AromaticContact CD2-CE2 3.4Å; F360-F363 HydrophobicContact CD2-CE2 3.4Å; F360-F363 VanDerWaalsContact CD2-CE2 3.4Å; F360-F363 AromaticContact CD2-CZ 3.25Å; F360-F363 HydrophobicContact CD2-CZ 3.25Å; F360-F363 HydrophobicContact CE2-CE2 4.33Å; F360-F363 AromaticContact CE2-CZ 3.75Å; F360-F363 HydrophobicContact CE2-CZ 3.75Å; F360-F363 AromaticContact CG-CE2 3.75Å; F360-F363 HydrophobicContact CG-CE2 3.75Å; F360-F363 AromaticContact CG-CZ 3.79Å; F360-F363 HydrophobicContact CG-CZ 3.79Å
361	S	88.2	Confident	88.8	Confident	52 Å²	52	61.8 Å²	61.8	36%	0.364	30%	0.301	S	S	.	.	S	Bend	trans	-71.7	-28	-175.2	54.2	0	0	0	0	113.4	S315 T316 G318 P319 A320	S315-S361 VanDerWaalsContact O-CA 3.32Å; S315-S361 WeakPolarHBondContact O-CA 3.19Å; S315-S361 PolarHBondContact O-N 3.1Å; T316-S361 WeakPolarHBondContact O-CB 3.32Å; G318-S361 WeakPolarHBondContact O-CB 3.25Å; G318-S361 PolarHBondContact O-OG 3.45Å; P319-S361 PolarHBondContact O-N 3.2Å; P319-S361 VanDerWaalsContact O-N 3.15Å; P319-S361 PolarHBondContact O-OG 3.23Å; A320-S361 PolarHBondContact N-OG 2.81Å
362	S	88.8	Confident	88.5	Confident	34 Å²	34	57.1 Å²	57.1	24%	0.238	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	156.2	172.6	64.7	0	0	0	0	112.2	A320 V321 F360	A320-S362 WeakPolarHBondContact CB-OG 3.33Å; V321-S362 PolarHBondContact N-O 3.33Å; F360-S362 VanDerWaalsContact C-N 3.33Å; F360-S362 PolarHBondContact O-N 2.72Å
363	F	87.4	Confident	88.1	Confident	25 Å²	25	56.3 Å²	56.3	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.5	171.3	-87.3	-90.4	0	0	0	110.1	L286 V321 F350 P357 F360	L286-F363 HydrophobicContact CD1-CE1 3.98Å; V321-F363 HydrophobicContact CB-CD1 4.04Å; V321-F363 HydrophobicContact CB-CE1 3.8Å; V321-F363 HydrophobicContact CB-CZ 4.14Å; V321-F363 HydrophobicContact CG1-CD1 4.15Å; V321-F363 HydrophobicContact CG1-CE1 3.79Å; V321-F363 HydrophobicContact CG1-CZ 4.48Å; V321-F363 HydrophobicContact CG2-CE1 4.16Å; V321-F363 HydrophobicContact CG2-CZ 4.04Å; F350-F363 HydrophobicContact CE2-CD1 4.12Å; F350-F363 HydrophobicContact CE2-CE1 4.11Å; F350-F363 HydrophobicContact CZ-CD1 4.39Å; F350-F363 AromaticContact CZ-CE1 3.92Å; F350-F363 HydrophobicContact CZ-CE1 3.92Å; F350-F363 HydrophobicContact CZ-CZ 4.26Å; P357-F363 HydrophobicContact CB-CD2 4.11Å; P357-F363 HydrophobicContact CB-CE1 4.34Å; P357-F363 HydrophobicContact CB-CE2 3.21Å; P357-F363 HydrophobicContact CB-CZ 3.36Å; P357-F363 HydrophobicContact CG-CD2 3.78Å; P357-F363 HydrophobicContact CG-CE2 3.39Å; P357-F363 HydrophobicContact CG-CZ 3.9Å; F360-F363 HydrophobicContact CB-CD2 4.31Å; F360-F363 HydrophobicContact CB-CE2 3.52Å; F360-F363 HydrophobicContact CB-CZ 4.06Å; F360-F363 AromaticContact CD2-CE2 3.4Å; F360-F363 HydrophobicContact CD2-CE2 3.4Å; F360-F363 VanDerWaalsContact CD2-CE2 3.4Å; F360-F363 AromaticContact CD2-CZ 3.25Å; F360-F363 HydrophobicContact CD2-CZ 3.25Å; F360-F363 HydrophobicContact CE2-CE2 4.33Å; F360-F363 AromaticContact CE2-CZ 3.75Å; F360-F363 HydrophobicContact CE2-CZ 3.75Å; F360-F363 AromaticContact CG-CE2 3.75Å; F360-F363 HydrophobicContact CG-CE2 3.75Å; F360-F363 AromaticContact CG-CZ 3.79Å; F360-F363 HydrophobicContact CG-CZ 3.79Å
364	Q	89.1	Confident	87.9	Confident	35 Å²	35	58.8 Å²	58.8	16%	0.164	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.6	-179.4	-56.1	-172.1	30.7	0	0	109.6	V321 V322 I323	V321-Q364 PolarHBondContact O-N 3.36Å; V322-Q364 CarbonylContact C-O 3.55Å; V322-Q364 VanDerWaalsContact CA-O 3.32Å; V322-Q364 WeakPolarHBondContact CA-O 3.2Å; I323-Q364 PolarHBondContact N-O 2.75Å
365	Y	91.6	Very high	88	Confident	24 Å²	24	55.3 Å²	55.3	9%	0.094	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135	174	172.6	-96.1	0	0	0	110.3	L278 I323 H325 L333 V342 G367	L278-Y365 HydrophobicContact CD1-CD2 4.15Å; L278-Y365 HydrophobicContact CD1-CE2 4Å; I323-Y365 HydrophobicContact CB-CD2 4.43Å; I323-Y365 HydrophobicContact CG2-CD2 4.24Å; H325-Y365 HydrophobicContact CB-CD2 4.38Å; H325-Y365 HydrophobicContact CB-CE2 3.43Å; H325-Y365 VanDerWaalsContact CB-CE2 3.43Å; H325-Y365 AromaticContact CG-CE2 3.9Å; H325-Y365 AromaticContact ND1-CE2 3.54Å; H325-Y365 AromaticContact ND1-CZ 3.72Å; H325-Y365 PolarHBondContact ND1-OH 3.05Å; L333-Y365 HydrophobicContact CB-CD1 4.49Å; L333-Y365 HydrophobicContact CB-CE1 3.88Å; L333-Y365 HydrophobicContact CB-CE2 4.11Å; L333-Y365 HydrophobicContact CD2-CD2 4.38Å; L333-Y365 PolarHBondContact N-OH 2.81Å; V342-Y365 HydrophobicContact CG1-CD1 3.56Å; V342-Y365 HydrophobicContact CG1-CE1 4.38Å; V342-Y365 HydrophobicContact CG1-CG 3.76Å; Y365-G367 WeakPolarHBondContact OH-CA 3.36Å
366	W	91.6	Very high	88.2	Confident	82 Å²	82	55 Å²	55	31%	0.311	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	112.6	165.9	-168.4	-96.7	0	0	0	110	V322 I323 F324 H325 T368 G379 K383	V322-W366 HydrophobicContact CG1-CB 4.21Å; I323-W366 PolarHBondContact O-N 2.8Å; F324-W366 WeakPolarHBondContact CA-O 3.34Å; F324-W366 AromaticContact CD2-CD1 3.84Å; F324-W366 AromaticContact CE2-CD1 3.96Å; H325-W366 PolarHBondContact N-O 2.95Å; W366-T368 PolarHBondContact NE1-OG1 3.01Å; W366-G379 VanDerWaalsContact CE2-C 3.42Å; W366-G379 VanDerWaalsContact CZ2-C 3.5Å; W366-K383 HydrophobicContact CD2-CB 4.46Å; W366-K383 HydrophobicContact CE3-CB 4.26Å; W366-K383 HydrophobicContact CE3-CD 4.35Å; W366-K383 HydrophobicContact CE3-CG 4.18Å
367	G	91.3	Very high	88.7	Confident	14 Å²	14	50.7 Å²	50.7	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.2	176.9	0	0	0	0	0	111.7	H325 Y365	H325-G367 CarbonylContact O-C 3.57Å; H325-G367 VanDerWaalsContact O-CA 3.29Å; H325-G367 WeakPolarHBondContact O-CA 3.47Å; Y365-G367 WeakPolarHBondContact OH-CA 3.36Å
368	T	91.4	Very high	88.8	Confident	19 Å²	19	57.6 Å²	57.6	12%	0.117	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.8	169.1	-65.6	0	0	0	0	109.2	H325 E326 T327 W366 T375	H325-T368 PolarHBondContact O-N 2.91Å; E326-T368 VanDerWaalsContact CA-O 3.3Å; E326-T368 WeakPolarHBondContact CA-O 3.45Å; T327-T368 PolarHBondContact N-O 3.33Å; W366-T368 PolarHBondContact NE1-OG1 3.01Å; T368-T375 HydrophobicContact CG2-CG2 4.17Å
369	Q	91.5	Very high	88.9	Confident	79 Å²	79	53 Å²	53	37%	0.369	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.9	176.8	-171.2	175.6	19.1	0	0	109.6	T327 V328 T330 L332 L371	T327-Q369 CarbonylContact O-C 3.56Å; T327-Q369 VanDerWaalsContact O-CA 3.29Å; T327-Q369 WeakPolarHBondContact O-CA 3.34Å; V328-Q369 PolarHBondContact O-NE2 3.2Å; V328-Q369 VanDerWaalsContact O-NE2 3.14Å; T330-Q369 PolarHBondContact O-NE2 3.42Å; L332-Q369 HydrophobicContact CD2-CB 4.48Å; L332-Q369 HydrophobicContact CG-CB 4.46Å; Q369-L371 HydrophobicContact CG-CD2 4.02Å; Q369-L371 HydrophobicContact CG-CG 4.28Å; Q369-L371 PolarHBondContact O-N 3.13Å
370	T	89.7	Confident	89.1	Confident	11 Å²	11	52.9 Å²	52.9	7%	0.067	29%	0.292	C	S	.	.			trans	-96.1	87.9	-179.7	-56.1	0	0	0	0	109.7	E326 T327 P373 T375	E326-T370 VanDerWaalsContact OE1-CB 3.27Å; E326-T370 WeakPolarHBondContact OE1-CB 3.45Å; E326-T370 PolarHBondContact OE1-OG1 2.71Å; T327-T370 PolarHBondContact O-N 3.15Å; T370-P373 HydrophobicContact CG2-CG 4.45Å; T370-T375 WeakPolarHBondContact OG1-CG2 3.31Å
371	L	85.9	Confident	89.3	Confident	136 Å²	136	54.8 Å²	54.8	71%	0.712	30%	0.301	S	S	*	.	S	Bend	trans	-72.7	-33.8	176.7	-63	175.8	0	0	0	112.3	Q369	Q369-L371 HydrophobicContact CG-CD2 4.02Å; Q369-L371 HydrophobicContact CG-CG 4.28Å; Q369-L371 PolarHBondContact O-N 3.13Å
372	S	83.8	Confident	89.3	Confident	90 Å²	90	56.7 Å²	56.7	63%	0.629	31%	0.307	S	S	*	.	S	Bend	trans	-140.7	116.4	178	55	0	0	0	0	109.3
373	P	82.8	Confident	89.4	Confident	114 Å²	114	57.2 Å²	57.2	74%	0.74	31%	0.305	S	S	*	.	S	Bend	trans	-57.5	151.4	176.3	-25.6	34.7	0	0	0	112.8	T370	T370-P373 HydrophobicContact CG2-CG 4.45Å
374	P	86.2	Confident	89.6	Confident	107 Å²	107	56.1 Å²	56.1	70%	0.695	30%	0.3	S	S	*	.	S	Bend	cis	-80.3	157.6	2.4	33.5	-35.6	0	0	0	113.5
375	T	90	Very high	89.7	Confident	18 Å²	18	58.6 Å²	58.6	11%	0.11	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-56.9	137	172.3	-42.8	0	0	0	0	111.2	E326 T368 T370 F377	E326-T375 HydrophobicContact CG-CG2 4.39Å; E326-T375 WeakPolarHBondContact OE1-CB 3.38Å; E326-T375 WeakPolarHBondContact OE1-CG2 3.38Å; E326-T375 PolarHBondContact OE1-OG1 2.89Å; E326-T375 WeakPolarHBondContact OE2-CG2 3.31Å; E326-T375 PolarHBondContact OE2-OG1 3.5Å; T368-T375 HydrophobicContact CG2-CG2 4.17Å; T370-T375 WeakPolarHBondContact OG1-CG2 3.31Å; T375-F377 HydrophobicContact CG2-CD2 4.42Å; T375-F377 HydrophobicContact CG2-CE1 4.27Å; T375-F377 HydrophobicContact CG2-CE2 4.04Å; T375-F377 HydrophobicContact CG2-CZ 3.94Å; T375-F377 WeakPolarHBondContact O-CD2 3.49Å; T375-F377 WeakPolarHBondContact O-CE2 3.34Å; T375-F377 PolarHBondContact O-N 2.97Å
376	D	89.9	Confident	89.5	Confident	70 Å²	70	62.7 Å²	62.7	37%	0.374	33%	0.332	S	S	.	.			trans	-86.3	106.9	173.5	-174.3	2.2	0	0	0	111.2	R378	D376-R378 VanDerWaalsContact OD1-CB 3.31Å; D376-R378 WeakPolarHBondContact OD1-CB 3.2Å; D376-R378 VanDerWaalsContact OD1-CG 3.3Å; D376-R378 WeakPolarHBondContact OD1-CG 3.32Å; D376-R378 IonicContact OD1-CZ 3.36Å; D376-R378 PolarHBondContact OD1-N 3.39Å; D376-R378 IonicContact OD1-NE 3.18Å; D376-R378 PolarHBondContact OD1-NE 3.43Å; D376-R378 IonicContact OD1-NH2 2.7Å; D376-R378 IonicContact OD2-CZ 3.76Å; D376-R378 IonicContact OD2-NE 3.8Å; D376-R378 PolarHBondContact OD2-NE 3.27Å; D376-R378 IonicContact OD2-NH2 3.78Å; D376-R378 PolarHBondContact OD2-NH2 3.36Å
377	F	92.9	Very high	89.4	Confident	9 Å²	9	59.8 Å²	59.8	4%	0.039	32%	0.322	C	S	.	.			trans	-88	-4.6	-179.2	-65.6	-89.5	0	0	0	114.1	H201 T202 H205 F324 T375 G379 L380 Q381	H201-F377 AromaticContact CE1-CE2 3.97Å; H201-F377 AromaticContact CE1-CZ 3.77Å; H201-F377 AromaticContact ND1-CZ 3.79Å; T202-F377 HydrophobicContact CG2-CD1 4.46Å; T202-F377 HydrophobicContact CG2-CE1 4.05Å; H205-F377 HydrophobicContact CB-CD1 4.28Å; H205-F377 HydrophobicContact CB-CD2 3.4Å; H205-F377 HydrophobicContact CB-CE1 4.3Å; H205-F377 HydrophobicContact CB-CE2 3.42Å; H205-F377 VanDerWaalsContact CB-CE2 3.42Å; H205-F377 HydrophobicContact CB-CG 3.84Å; H205-F377 HydrophobicContact CB-CZ 3.91Å; H205-F377 AromaticContact CG-CD2 3.92Å; H205-F377 AromaticContact CG-CE2 3.61Å; F324-F377 HydrophobicContact CE1-CD1 4.02Å; F324-F377 AromaticContact CE1-CE1 3.72Å; F324-F377 HydrophobicContact CE1-CE1 3.72Å; F324-F377 AromaticContact CZ-CD1 3.98Å; F324-F377 HydrophobicContact CZ-CD1 3.98Å; F324-F377 AromaticContact CZ-CE1 3.94Å; F324-F377 HydrophobicContact CZ-CE1 3.94Å; T375-F377 HydrophobicContact CG2-CD2 4.42Å; T375-F377 HydrophobicContact CG2-CE1 4.27Å; T375-F377 HydrophobicContact CG2-CE2 4.04Å; T375-F377 HydrophobicContact CG2-CZ 3.94Å; T375-F377 WeakPolarHBondContact O-CD2 3.49Å; T375-F377 WeakPolarHBondContact O-CE2 3.34Å; T375-F377 PolarHBondContact O-N 2.97Å; F377-G379 VanDerWaalsContact C-N 3.25Å; F377-G379 PolarHBondContact O-N 3.32Å; F377-L380 HydrophobicContact CD1-CD2 4.35Å; F377-L380 WeakPolarHBondContact O-CB 3.5Å; F377-L380 PolarHBondContact O-N 2.84Å; F377-Q381 WeakPolarHBondContact O-CG 3.35Å; F377-Q381 PolarHBondContact O-N 2.94Å
378	R	89.2	Confident	89.4	Confident	161 Å²	161	60.1 Å²	60.1	61%	0.608	32%	0.321	S	S	*	.	H	α-helix	trans	-59.2	-38.2	-175.6	-68.4	175.7	-66.6	179.3	2.4	112.6	D376 Q381 N382	D376-R378 VanDerWaalsContact OD1-CB 3.31Å; D376-R378 WeakPolarHBondContact OD1-CB 3.2Å; D376-R378 VanDerWaalsContact OD1-CG 3.3Å; D376-R378 WeakPolarHBondContact OD1-CG 3.32Å; D376-R378 IonicContact OD1-CZ 3.36Å; D376-R378 PolarHBondContact OD1-N 3.39Å; D376-R378 IonicContact OD1-NE 3.18Å; D376-R378 PolarHBondContact OD1-NE 3.43Å; D376-R378 IonicContact OD1-NH2 2.7Å; D376-R378 IonicContact OD2-CZ 3.76Å; D376-R378 IonicContact OD2-NE 3.8Å; D376-R378 PolarHBondContact OD2-NE 3.27Å; D376-R378 IonicContact OD2-NH2 3.78Å; D376-R378 PolarHBondContact OD2-NH2 3.36Å; R378-Q381 PolarHBondContact O-N 3.49Å; R378-N382 VanDerWaalsContact O-CG 3.24Å; R378-N382 PolarHBondContact O-N 3.05Å; R378-N382 PolarHBondContact O-ND2 3.36Å
379	G	88.6	Confident	89.2	Confident	19 Å²	19	64 Å²	64	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-45	175.5	0	0	0	0	0	112.8	W366 F377 K383	W366-G379 VanDerWaalsContact CE2-C 3.42Å; W366-G379 VanDerWaalsContact CZ2-C 3.5Å; F377-G379 VanDerWaalsContact C-N 3.25Å; F377-G379 PolarHBondContact O-N 3.32Å; G379-K383 WeakPolarHBondContact O-CB 3.34Å; G379-K383 PolarHBondContact O-N 3.26Å
380	L	92.1	Very high	88.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-45.5	176	178.3	65	0	0	0	110.8	T202 T206 V322 F324 F377 N382 K383 L384	T202-L380 HydrophobicContact CG2-CD2 3.99Å; T206-L380 HydrophobicContact CG2-CD2 4.38Å; V322-L380 HydrophobicContact CG1-CD1 4.17Å; F324-L380 HydrophobicContact CB-CD1 4.19Å; F324-L380 HydrophobicContact CB-CD2 4.47Å; F324-L380 HydrophobicContact CD1-CD2 3.61Å; F324-L380 HydrophobicContact CD2-CB 4.46Å; F324-L380 HydrophobicContact CD2-CD1 4.11Å; F324-L380 HydrophobicContact CD2-CD2 4.07Å; F324-L380 HydrophobicContact CD2-CG 4.44Å; F324-L380 HydrophobicContact CE1-CD2 3.69Å; F324-L380 HydrophobicContact CE2-CB 4.28Å; F324-L380 HydrophobicContact CE2-CD2 4.17Å; F324-L380 HydrophobicContact CG-CD1 4.11Å; F324-L380 HydrophobicContact CG-CD2 3.8Å; F324-L380 HydrophobicContact CG-CG 4.49Å; F324-L380 HydrophobicContact CZ-CD2 4Å; F377-L380 HydrophobicContact CD1-CD2 4.35Å; F377-L380 WeakPolarHBondContact O-CB 3.5Å; F377-L380 PolarHBondContact O-N 2.84Å; L380-N382 PolarHBondContact O-N 2.7Å; L380-K383 WeakPolarHBondContact O-CB 3.27Å; L380-K383 PolarHBondContact O-N 2.91Å; L380-K383 VanDerWaalsContact O-N 3.11Å; L380-L384 HydrophobicContact CD1-CD1 3.95Å; L380-L384 HydrophobicContact CD1-CD2 4.27Å; L380-L384 HydrophobicContact CD1-CG 3.96Å; L380-L384 HydrophobicContact CD2-CD1 4.28Å; L380-L384 HydrophobicContact CG-CD1 3.71Å; L380-L384 HydrophobicContact CG-CG 4.15Å; L380-L384 VanDerWaalsContact O-CG 3.25Å; L380-L384 WeakPolarHBondContact O-CG 3.1Å; L380-L384 PolarHBondContact O-N 3.06Å
381	Q	92.6	Very high	88.5	Confident	52 Å²	52	65.9 Å²	65.9	24%	0.243	35%	0.353	C	S	.	.	H	α-helix	trans	-54.6	-53.8	178.2	-73	171.8	-33.7	0	0	111.6	H205 T206 F377 R378 K383 L384 E385	H205-Q381 PolarHBondContact O-NE2 2.93Å; T206-Q381 HydrophobicContact CG2-CG 3.94Å; T206-Q381 PolarHBondContact O-NE2 3.2Å; F377-Q381 WeakPolarHBondContact O-CG 3.35Å; F377-Q381 PolarHBondContact O-N 2.94Å; R378-Q381 PolarHBondContact O-N 3.49Å; Q381-K383 PolarHBondContact O-N 3.23Å; Q381-L384 PolarHBondContact O-N 2.91Å; Q381-L384 VanDerWaalsContact O-N 3.11Å; Q381-E385 WeakPolarHBondContact O-CG 3.44Å; Q381-E385 PolarHBondContact O-N 2.71Å
382	N	89.4	Confident	87.9	Confident	91 Å²	91	63 Å²	63	49%	0.487	35%	0.349	S	S	.	.	H	α-helix	trans	-56.8	-38.3	178	-69.3	-19.9	0	0	0	112	R378 L380 Q386	R378-N382 VanDerWaalsContact O-CG 3.24Å; R378-N382 PolarHBondContact O-N 3.05Å; R378-N382 PolarHBondContact O-ND2 3.36Å; L380-N382 PolarHBondContact O-N 2.7Å; N382-Q386 WeakPolarHBondContact O-CG 3.46Å; N382-Q386 PolarHBondContact O-N 2.99Å
383	K	89.8	Confident	87.2	Confident	45 Å²	45	60.2 Å²	60.2	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-69.3	-42.2	179.3	-171.3	61.4	175.3	170	0	111.9	W366 G379 L380 Q381 Q386 L387	W366-K383 HydrophobicContact CD2-CB 4.46Å; W366-K383 HydrophobicContact CE3-CB 4.26Å; W366-K383 HydrophobicContact CE3-CD 4.35Å; W366-K383 HydrophobicContact CE3-CG 4.18Å; G379-K383 WeakPolarHBondContact O-CB 3.34Å; G379-K383 PolarHBondContact O-N 3.26Å; L380-K383 WeakPolarHBondContact O-CB 3.27Å; L380-K383 PolarHBondContact O-N 2.91Å; L380-K383 VanDerWaalsContact O-N 3.11Å; Q381-K383 PolarHBondContact O-N 3.23Å; K383-Q386 PolarHBondContact O-N 3.08Å; K383-L387 WeakPolarHBondContact O-CG 3.3Å; K383-L387 PolarHBondContact O-N 3.48Å
384	L	92.9	Very high	87.3	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-39.3	178.5	-64.7	171.7	0	0	0	111.4	T206 F207 L268 I270 V322 L380 Q381 Q386 L387 L388	T206-L384 HydrophobicContact CG2-CD1 3.49Å; T206-L384 VanDerWaalsContact CG2-CD1 3.49Å; F207-L384 HydrophobicContact CE1-CD1 4.38Å; F207-L384 HydrophobicContact CZ-CD1 3.84Å; L268-L384 HydrophobicContact CD2-CB 4.37Å; L268-L384 HydrophobicContact CD2-CD2 3.52Å; L268-L384 HydrophobicContact CG-CD2 4.26Å; I270-L384 HydrophobicContact CD1-CD1 3.71Å; I270-L384 HydrophobicContact CD1-CD2 4.08Å; I270-L384 HydrophobicContact CG1-CD1 4.44Å; I270-L384 HydrophobicContact CG1-CD2 3.92Å; V322-L384 HydrophobicContact CB-CD2 4.49Å; V322-L384 HydrophobicContact CG2-CD2 4.17Å; L380-L384 HydrophobicContact CD1-CD1 3.95Å; L380-L384 HydrophobicContact CD1-CD2 4.27Å; L380-L384 HydrophobicContact CD1-CG 3.96Å; L380-L384 HydrophobicContact CD2-CD1 4.28Å; L380-L384 HydrophobicContact CG-CD1 3.71Å; L380-L384 HydrophobicContact CG-CG 4.15Å; L380-L384 VanDerWaalsContact O-CG 3.25Å; L380-L384 WeakPolarHBondContact O-CG 3.1Å; L380-L384 PolarHBondContact O-N 3.06Å; Q381-L384 PolarHBondContact O-N 2.91Å; Q381-L384 VanDerWaalsContact O-N 3.11Å; L384-Q386 VanDerWaalsContact C-N 3.31Å; L384-Q386 PolarHBondContact O-N 3.44Å; L384-L387 PolarHBondContact O-N 3.1Å; L384-L387 VanDerWaalsContact O-N 3.1Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 VanDerWaalsContact O-CG 3.3Å; L384-L388 WeakPolarHBondContact O-CG 3.24Å; L384-L388 PolarHBondContact O-N 3.37Å
385	E	90.6	Very high	87.4	Confident	88 Å²	88	50.2 Å²	50.2	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-55.7	-45.1	174.2	-75.9	178.5	178.7	0	0	111.7	H235 Q381 L387 L388 D389	H235-E385 IonicContact NE2-OE1 2.65Å; Q381-E385 WeakPolarHBondContact O-CG 3.44Å; Q381-E385 PolarHBondContact O-N 2.71Å; E385-L387 VanDerWaalsContact C-N 3.3Å; E385-L387 PolarHBondContact O-N 3.12Å; E385-L388 PolarHBondContact O-N 3.22Å; E385-D389 WeakPolarHBondContact O-CB 3.47Å; E385-D389 PolarHBondContact O-N 3.5Å
386	Q	87.6	Confident	87.4	Confident	110 Å²	110	50.9 Å²	50.9	51%	0.514	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-37.9	176.6	-70.5	176.2	-2.9	0	0	112.9	N382 K383 L384 N390	N382-Q386 WeakPolarHBondContact O-CG 3.46Å; N382-Q386 PolarHBondContact O-N 2.99Å; K383-Q386 PolarHBondContact O-N 3.08Å; L384-Q386 VanDerWaalsContact C-N 3.31Å; L384-Q386 PolarHBondContact O-N 3.44Å; Q386-N390 PolarHBondContact O-N 3.27Å
387	L	90.1	Very high	87.4	Confident	20 Å²	20	47.7 Å²	47.7	11%	0.105	25%	0.249	C	C	.	.	H	α-helix	trans	-78.5	-36.5	-179.2	-62.9	173.5	0	0	0	112.2	L268 V322 K383 L384 E385 D389 N390	L268-L387 HydrophobicContact CD1-CB 4.04Å; L268-L387 HydrophobicContact CD1-CD1 3.79Å; L268-L387 HydrophobicContact CD2-CB 4.04Å; V322-L387 HydrophobicContact CG2-CD1 3.21Å; K383-L387 WeakPolarHBondContact O-CG 3.3Å; K383-L387 PolarHBondContact O-N 3.48Å; L384-L387 PolarHBondContact O-N 3.1Å; L384-L387 VanDerWaalsContact O-N 3.1Å; E385-L387 VanDerWaalsContact C-N 3.3Å; E385-L387 PolarHBondContact O-N 3.12Å; L387-D389 PolarHBondContact O-N 3.1Å; L387-N390 WeakPolarHBondContact O-CB 3.38Å; L387-N390 PolarHBondContact O-N 3.45Å; L387-N390 VanDerWaalsContact O-N 3.12Å
388	L	90.7	Very high	87.3	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-29.5	173.5	-72.4	173.7	0	0	0	111.8	K187 V189 I237 L268 L384 E385 N390	K187-L388 HydrophobicContact CB-CD2 4.18Å; K187-L388 HydrophobicContact CD-CD2 4.08Å; K187-L388 WeakPolarHBondContact CD-O 3.42Å; K187-L388 WeakPolarHBondContact CE-O 3.5Å; K187-L388 PolarHBondContact NZ-O 3.34Å; V189-L388 HydrophobicContact CG2-CD1 4.29Å; V189-L388 HydrophobicContact CG2-CD2 3.67Å; V189-L388 HydrophobicContact CG2-CG 4.46Å; I237-L388 HydrophobicContact CD1-CD1 4.13Å; I237-L388 HydrophobicContact CG2-CD1 4.05Å; I237-L388 HydrophobicContact CG2-CD2 3.99Å; L268-L388 HydrophobicContact CB-CD2 4.47Å; L268-L388 HydrophobicContact CD2-CD2 4.1Å; L268-L388 HydrophobicContact CD2-CG 4.02Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 VanDerWaalsContact O-CG 3.3Å; L384-L388 WeakPolarHBondContact O-CG 3.24Å; L384-L388 PolarHBondContact O-N 3.37Å; E385-L388 PolarHBondContact O-N 3.22Å; L388-N390 VanDerWaalsContact C-N 3.27Å; L388-N390 PolarHBondContact O-N 3.47Å
389	D	86.3	Confident	87.4	Confident	101 Å²	101	41.8 Å²	41.8	54%	0.54	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-15.6	172.4	-98.5	-18.2	0	0	0	114.1	E385 L387 N391 K462	E385-D389 WeakPolarHBondContact O-CB 3.47Å; E385-D389 PolarHBondContact O-N 3.5Å; L387-D389 PolarHBondContact O-N 3.1Å; D389-N391 PolarHBondContact O-N 3.46Å; D389-K462 IonicContact OD1-NZ 3.52Å; D389-K462 PolarHBondContact OD1-NZ 3.26Å; D389-K462 IonicContact OD2-NZ 3.76Å; D389-K462 PolarHBondContact OD2-NZ 3.44Å
390	N	84.8	Confident	87.4	Confident	91 Å²	91	41 Å²	41	49%	0.487	22%	0.224	S	C	.	.			trans	-81.5	109.4	179.7	-175.6	0.1	0	0	0	111.3	K187 Q386 L387 L388 A392	K187-N390 PolarHBondContact NZ-O 3.17Å; Q386-N390 PolarHBondContact O-N 3.27Å; L387-N390 WeakPolarHBondContact O-CB 3.38Å; L387-N390 PolarHBondContact O-N 3.45Å; L387-N390 VanDerWaalsContact O-N 3.12Å; L388-N390 VanDerWaalsContact C-N 3.27Å; L388-N390 PolarHBondContact O-N 3.47Å; N390-A392 WeakPolarHBondContact OD1-CB 3.14Å; N390-A392 PolarHBondContact OD1-N 2.98Å
391	N	82.5	Confident	87.3	Confident	39 Å²	39	41.9 Å²	41.9	21%	0.209	23%	0.229	C	C	.	.			trans	-104.8	23.5	176.3	-64	-12.3	0	0	0	112.4	K187 D389 T393 T434	K187-N391 WeakPolarHBondContact CE-OD1 3.34Å; K187-N391 PolarHBondContact NZ-OD1 2.95Å; D389-N391 PolarHBondContact O-N 3.46Å; N391-T393 PolarHBondContact O-N 3.39Å; N391-T393 VanDerWaalsContact O-N 3.15Å; N391-T434 WeakPolarHBondContact O-CB 3.08Å; N391-T434 WeakPolarHBondContact O-CG2 3.49Å; N391-T434 PolarHBondContact O-OG1 3.21Å
392	A	73.9	Confident	87.2	Confident	76 Å²	76	39.6 Å²	39.6	63%	0.628	22%	0.218	S	C	*	.	S	Bend	trans	-59.4	-30.2	-175.2	0	0	0	0	0	113.7	N390	N390-A392 WeakPolarHBondContact OD1-CB 3.14Å; N390-A392 PolarHBondContact OD1-N 2.98Å
393	T	68.9	Low	87.2	Confident	30 Å²	30	35.5 Å²	35.5	18%	0.184	20%	0.196	C	C	.	.	S	Bend	trans	-133.2	-39.3	-175.7	-42.5	0	0	0	0	114	T316 L317 N391 F433 T434	T316-T393 WeakPolarHBondContact O-CB 3.35Å; T316-T393 WeakPolarHBondContact O-CG2 3.46Å; T316-T393 PolarHBondContact O-OG1 3.06Å; L317-T393 HydrophobicContact CD2-CG2 3.58Å; N391-T393 PolarHBondContact O-N 3.39Å; N391-T393 VanDerWaalsContact O-N 3.15Å; T393-F433 VanDerWaalsContact O-CA 3.3Å; T393-F433 WeakPolarHBondContact O-CA 3.16Å; T393-T434 PolarHBondContact O-N 2.9Å
394	R	85.4	Confident	87.1	Confident	12 Å²	12	39 Å²	39	5%	0.045	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-113	129.8	176.3	-65.1	-175.5	173.5	-129	-9.8	110.7	A264 S266 D267 Y293 L317 Y432	A264-R394 PolarHBondContact O-NH1 3.21Å; S266-R394 PolarHBondContact O-NH1 3.19Å; D267-R394 VanDerWaalsContact OD1-CB 3.27Å; D267-R394 WeakPolarHBondContact OD1-CB 3.47Å; D267-R394 VanDerWaalsContact OD1-CD 3.31Å; D267-R394 WeakPolarHBondContact OD1-CD 3.43Å; Y293-R394 PolarHBondContact OH-NH2 3.2Å; L317-R394 VanDerWaalsContact O-CZ 3.28Å; L317-R394 PolarHBondContact O-NE 3.35Å; L317-R394 PolarHBondContact O-NH2 3.13Å; R394-Y432 WeakPolarHBondContact CA-O 3.41Å
395	S	86.9	Confident	86.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.			trans	-101.8	151.3	-178.1	59.3	0	0	0	0	110.8	E431 Y432 F433 T434 S449	S395-E431 PolarHBondContact OG-O 2.93Å; S395-Y432 PolarHBondContact N-O 3.45Å; S395-Y432 VanDerWaalsContact N-O 3.16Å; S395-F433 PolarHBondContact OG-O 3.49Å; S395-T434 PolarHBondContact N-OG1 3.08Å; S395-S449 VanDerWaalsContact OG-CA 3.24Å; S395-S449 WeakPolarHBondContact OG-CA 3.34Å; S395-S449 VanDerWaalsContact OG-CB 3.31Å; S395-S449 WeakPolarHBondContact OG-CB 3.29Å
396	P	90.9	Very high	86.8	Confident	32 Å²	32	35.5 Å²	35.5	21%	0.208	20%	0.196	C	C	.	.			trans	-59.8	136.9	167.2	-20.9	32.5	0	0	0	110.9	L185 L186 K187	L185-P396 HydrophobicContact CB-CB 3.83Å; L186-P396 CarbonylContact O-C 3.54Å; L186-P396 VanDerWaalsContact O-CA 3.3Å; L186-P396 WeakPolarHBondContact O-CA 3.44Å; K187-P396 HydrophobicContact CG-CB 4.31Å; K187-P396 HydrophobicContact CG-CG 4.07Å
397	R	90.2	Very high	86.7	Confident	3 Å²	3	33.5 Å²	33.5	1%	0.011	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-136.8	163.5	-174.7	63.2	-141.8	170.8	-128.7	-8.8	112.6	L186 V265 D267 V401 I402 Y432	L186-R397 PolarHBondContact N-O 2.99Å; L186-R397 PolarHBondContact O-N 3.47Å; V265-R397 PolarHBondContact O-NH2 3.18Å; D267-R397 IonicContact OD1-CZ 3.48Å; D267-R397 IonicContact OD1-NH1 3.6Å; D267-R397 PolarHBondContact OD1-NH1 3.27Å; D267-R397 IonicContact OD1-NH2 2.79Å; D267-R397 PolarHBondContact OD1-NH2 2.92Å; D267-R397 IonicContact OD2-CZ 2.66Å; D267-R397 IonicContact OD2-NH1 3.58Å; D267-R397 IonicContact OD2-NH2 3.78Å; D267-R397 PolarHBondContact OD2-NH2 3.36Å; R397-V401 HydrophobicContact CB-CB 4.22Å; R397-V401 HydrophobicContact CB-CG1 3.99Å; R397-V401 HydrophobicContact CG-CB 4.22Å; R397-V401 HydrophobicContact CG-CG1 3.85Å; R397-I402 HydrophobicContact CG-CD1 4.29Å; R397-I402 HydrophobicContact CG-CG1 3.78Å; R397-Y432 VanDerWaalsContact NE-CE1 3.34Å
398	T	91.1	Very high	86.4	Confident	45 Å²	45	33.1 Å²	33.1	28%	0.276	19%	0.186	S	C	.	.			trans	-67.9	158.6	-179.8	61.6	0	0	0	0	111.7	L185 G400 V401 I402	L185-T398 HydrophobicContact CD2-CG2 3.93Å; T398-G400 PolarHBondContact O-N 3.49Å; T398-V401 PolarHBondContact O-N 2.85Å; T398-V401 WeakPolarHBondContact OG1-CG2 3.38Å; T398-I402 PolarHBondContact O-N 3.43Å
399	L	90.2	Very high	86.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-34.1	176.6	-80.3	171.9	0	0	0	113.2	F174 M175 L178 C180 L186 V238 V401 I402 F403	F174-L399 HydrophobicContact CD1-CD2 4.29Å; F174-L399 HydrophobicContact CE1-CD2 3.75Å; M175-L399 HydrophobicContact CG-CB 4.19Å; M175-L399 HydrophobicContact CG-CD1 4.13Å; L178-L399 HydrophobicContact CD1-CD1 4.35Å; L178-L399 HydrophobicContact CD1-CD2 3.42Å; L178-L399 VanDerWaalsContact CD1-CD2 3.42Å; C180-L399 HydrophobicContact CB-CD1 3.65Å; L186-L399 HydrophobicContact CD1-CD1 4.08Å; L186-L399 HydrophobicContact CD1-CD2 3.38Å; L186-L399 HydrophobicContact CD1-CG 3.5Å; L186-L399 VanDerWaalsContact CD1-CG 3.5Å; V238-L399 HydrophobicContact CG2-CD2 4.05Å; L399-V401 VanDerWaalsContact C-N 3.31Å; L399-V401 PolarHBondContact O-N 3.48Å; L399-I402 HydrophobicContact CD2-CD1 4.49Å; L399-I402 PolarHBondContact O-N 3.16Å; L399-F403 WeakPolarHBondContact O-CB 3.3Å; L399-F403 PolarHBondContact O-N 3.15Å
400	G	88.6	Confident	86.1	Confident	4 Å²	4	28 Å²	28	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-39.7	176.8	0	0	0	0	0	112.8	E171 T398 F403 K404	E171-G400 WeakPolarHBondContact OE1-CA 3.35Å; T398-G400 PolarHBondContact O-N 3.49Å; G400-F403 PolarHBondContact O-N 2.63Å; G400-K404 WeakPolarHBondContact O-CB 3.49Å; G400-K404 VanDerWaalsContact O-CG 3.24Å; G400-K404 WeakPolarHBondContact O-CG 2.92Å; G400-K404 PolarHBondContact O-N 2.95Å
401	V	89.1	Confident	85.9	Confident	18 Å²	18	29.8 Å²	29.8	11%	0.109	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-43.8	175.4	169.6	0	0	0	0	110.8	R397 T398 L399 A405 P429 E431 Y432	R397-V401 HydrophobicContact CB-CB 4.22Å; R397-V401 HydrophobicContact CB-CG1 3.99Å; R397-V401 HydrophobicContact CG-CB 4.22Å; R397-V401 HydrophobicContact CG-CG1 3.85Å; T398-V401 PolarHBondContact O-N 2.85Å; T398-V401 WeakPolarHBondContact OG1-CG2 3.38Å; L399-V401 VanDerWaalsContact C-N 3.31Å; L399-V401 PolarHBondContact O-N 3.48Å; V401-A405 PolarHBondContact O-N 2.78Å; V401-P429 HydrophobicContact CG1-CB 4.04Å; V401-P429 HydrophobicContact CG1-CG 4.12Å; V401-E431 HydrophobicContact CG1-CB 4.19Å; V401-E431 HydrophobicContact CG2-CB 4.23Å; V401-E431 HydrophobicContact CG2-CG 4.49Å; V401-Y432 HydrophobicContact CG1-CD2 3.57Å; V401-Y432 HydrophobicContact CG1-CE2 3.43Å; V401-Y432 VanDerWaalsContact CG1-CE2 3.43Å
402	I	91.3	Very high	85.7	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.015	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-45.1	177.4	-60	172.3	0	0	0	111.1	F174 L186 V188 V238 R397 T398 L399 A405 L406	F174-I402 HydrophobicContact CE1-CG2 4.41Å; F174-I402 HydrophobicContact CZ-CG2 4.46Å; L186-I402 HydrophobicContact CB-CD1 4.1Å; V188-I402 HydrophobicContact CG2-CD1 3.84Å; V188-I402 HydrophobicContact CG2-CG1 4.31Å; V188-I402 HydrophobicContact CG2-CG2 4.13Å; V238-I402 HydrophobicContact CG2-CD1 4.32Å; R397-I402 HydrophobicContact CG-CD1 4.29Å; R397-I402 HydrophobicContact CG-CG1 3.78Å; T398-I402 PolarHBondContact O-N 3.43Å; L399-I402 HydrophobicContact CD2-CD1 4.49Å; L399-I402 PolarHBondContact O-N 3.16Å; I402-A405 PolarHBondContact O-N 2.8Å; I402-L406 HydrophobicContact CG2-CD1 4.15Å; I402-L406 WeakPolarHBondContact O-CG 3.48Å; I402-L406 PolarHBondContact O-N 3.46Å
403	F	89.9	Confident	85.8	Confident	5 Å²	5	28.2 Å²	28.2	2%	0.022	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-48.3	179.8	176.3	-100.3	0	0	0	112.1	M166 I168 D170 E171 F174 L399 G400 A405 L406 Q407	M166-F403 HydrophobicContact CE-CD2 3.76Å; M166-F403 HydrophobicContact CE-CE2 3.48Å; M166-F403 VanDerWaalsContact CE-CE2 3.48Å; M166-F403 HydrophobicContact CE-CZ 4.4Å; I168-F403 HydrophobicContact CB-CE2 4.48Å; I168-F403 HydrophobicContact CG2-CE2 3.96Å; D170-F403 VanDerWaalsContact CA-CZ 3.48Å; E171-F403 HydrophobicContact CB-CD1 3.77Å; E171-F403 HydrophobicContact CB-CE1 4.12Å; E171-F403 HydrophobicContact CB-CG 4.36Å; E171-F403 HydrophobicContact CG-CB 4.38Å; E171-F403 HydrophobicContact CG-CD1 4.09Å; E171-F403 HydrophobicContact CG-CG 4.39Å; F174-F403 HydrophobicContact CB-CD2 3.65Å; F174-F403 HydrophobicContact CB-CE2 4.19Å; F174-F403 HydrophobicContact CB-CG 4.29Å; F174-F403 HydrophobicContact CD1-CB 3.73Å; F174-F403 HydrophobicContact CD1-CD2 4.06Å; F174-F403 HydrophobicContact CD1-CG 4.28Å; F174-F403 HydrophobicContact CD2-CD2 4.23Å; F174-F403 HydrophobicContact CE1-CB 4.14Å; F174-F403 HydrophobicContact CG-CB 4.3Å; F174-F403 AromaticContact CG-CD2 3.73Å; F174-F403 HydrophobicContact CG-CD2 3.73Å; F174-F403 HydrophobicContact CG-CG 4.38Å; L399-F403 WeakPolarHBondContact O-CB 3.3Å; L399-F403 PolarHBondContact O-N 3.15Å; G400-F403 PolarHBondContact O-N 2.63Å; F403-A405 VanDerWaalsContact C-N 3.29Å; F403-A405 PolarHBondContact O-N 2.84Å; F403-L406 WeakPolarHBondContact O-CB 3.45Å; F403-L406 PolarHBondContact O-N 3.2Å; F403-Q407 WeakPolarHBondContact O-CB 3.31Å; F403-Q407 PolarHBondContact O-N 2.96Å
404	K	87.6	Confident	85.9	Confident	120 Å²	120	31.4 Å²	31.4	52%	0.522	16%	0.156	S	C	.	.	H	α-helix	trans	-60.1	-39.6	179.2	-73	170.3	-173.3	174.2	0	112.1	G400 Q407 A408	G400-K404 WeakPolarHBondContact O-CB 3.49Å; G400-K404 VanDerWaalsContact O-CG 3.24Å; G400-K404 WeakPolarHBondContact O-CG 2.92Å; G400-K404 PolarHBondContact O-N 2.95Å; K404-Q407 PolarHBondContact O-N 3.26Å; K404-A408 WeakPolarHBondContact O-CB 3.24Å; K404-A408 PolarHBondContact O-N 3.16Å
405	A	88.6	Confident	85.1	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-47.1	175.2	0	0	0	0	0	111.7	V265 V401 I402 F403 Q407 A408 L409 Y432	V265-A405 HydrophobicContact CG1-CB 4.3Å; V401-A405 PolarHBondContact O-N 2.78Å; I402-A405 PolarHBondContact O-N 2.8Å; F403-A405 VanDerWaalsContact C-N 3.29Å; F403-A405 PolarHBondContact O-N 2.84Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 3.36Å; A405-A408 PolarHBondContact O-N 3.42Å; A405-L409 WeakPolarHBondContact O-CB 3.19Å; A405-L409 WeakPolarHBondContact O-CD1 3.33Å; A405-L409 WeakPolarHBondContact O-CG 3.35Å; A405-L409 PolarHBondContact O-N 3.39Å; A405-Y432 HydrophobicContact CB-CE2 3.67Å; A405-Y432 WeakPolarHBondContact CB-OH 3.4Å
406	L	88.3	Confident	83.7	Confident	15 Å²	15	41.3 Å²	41.3	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-44.1	174.6	-79.2	170.7	0	0	0	111.9	L159 M166 F174 V265 I402 F403 L409 S410	L159-L406 HydrophobicContact CD1-CD1 4.4Å; L159-L406 HydrophobicContact CD2-CD1 3.97Å; L159-L406 HydrophobicContact CD2-CD2 4.43Å; M166-L406 HydrophobicContact CE-CB 3.95Å; M166-L406 HydrophobicContact SD-CB 4.47Å; F174-L406 HydrophobicContact CE2-CD1 4.31Å; F174-L406 HydrophobicContact CZ-CD1 4.04Å; V265-L406 HydrophobicContact CB-CD2 4.33Å; V265-L406 HydrophobicContact CG1-CD2 3.77Å; V265-L406 HydrophobicContact CG1-CG 3.96Å; V265-L406 HydrophobicContact CG2-CD2 3.88Å; I402-L406 HydrophobicContact CG2-CD1 4.15Å; I402-L406 WeakPolarHBondContact O-CG 3.48Å; I402-L406 PolarHBondContact O-N 3.46Å; F403-L406 WeakPolarHBondContact O-CB 3.45Å; F403-L406 PolarHBondContact O-N 3.2Å; L406-L409 PolarHBondContact O-N 2.86Å; L406-S410 WeakPolarHBondContact O-CB 3.28Å; L406-S410 PolarHBondContact O-N 2.81Å
407	Q	86.4	Confident	82.2	Confident	68 Å²	68	43 Å²	43	32%	0.318	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-51.6	178.3	-176.7	174.2	21	0	0	111.5	F403 K404 A405 L409 S410 E411	F403-Q407 WeakPolarHBondContact O-CB 3.31Å; F403-Q407 PolarHBondContact O-N 2.96Å; K404-Q407 PolarHBondContact O-N 3.26Å; A405-Q407 VanDerWaalsContact C-N 3.3Å; A405-Q407 PolarHBondContact O-N 3.36Å; Q407-L409 VanDerWaalsContact C-N 3.3Å; Q407-L409 PolarHBondContact O-N 3.48Å; Q407-S410 WeakPolarHBondContact O-CB 2.99Å; Q407-S410 PolarHBondContact O-N 3.04Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.21Å; Q407-E411 WeakPolarHBondContact O-CG 3.48Å; Q407-E411 PolarHBondContact O-N 2.71Å
408	A	83.8	Confident	80.3	Confident	12 Å²	12	46.3 Å²	46.3	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-38.5	178.9	0	0	0	0	0	112.5	K404 A405 R412 F427	K404-A408 WeakPolarHBondContact O-CB 3.24Å; K404-A408 PolarHBondContact O-N 3.16Å; A405-A408 PolarHBondContact O-N 3.42Å; A408-R412 WeakPolarHBondContact O-CB 3.14Å; A408-R412 PolarHBondContact O-N 3.02Å; A408-R412 VanDerWaalsContact O-N 3.16Å; A408-F427 HydrophobicContact CB-CD1 4.2Å
409	L	85.6	Confident	78.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-39.8	173.9	-70.1	164.5	0	0	0	111.4	K261 A264 V265 F297 A405 L406 Q407 R412 F413 F427	K261-L409 HydrophobicContact CG-CB 4.18Å; A264-L409 HydrophobicContact CB-CD1 3.55Å; A264-L409 HydrophobicContact CB-CD2 3.87Å; A264-L409 HydrophobicContact CB-CG 4.38Å; V265-L409 HydrophobicContact CG1-CD1 3.53Å; F297-L409 HydrophobicContact CE1-CD2 3.57Å; F297-L409 HydrophobicContact CZ-CD2 3.71Å; A405-L409 WeakPolarHBondContact O-CB 3.19Å; A405-L409 WeakPolarHBondContact O-CD1 3.33Å; A405-L409 WeakPolarHBondContact O-CG 3.35Å; A405-L409 PolarHBondContact O-N 3.39Å; L406-L409 PolarHBondContact O-N 2.86Å; Q407-L409 VanDerWaalsContact C-N 3.3Å; Q407-L409 PolarHBondContact O-N 3.48Å; L409-R412 PolarHBondContact O-N 3.15Å; L409-F413 HydrophobicContact CD2-CD2 4.23Å; L409-F413 HydrophobicContact CD2-CE2 3.84Å; L409-F413 WeakPolarHBondContact O-CB 3.3Å; L409-F413 VanDerWaalsContact O-CD2 3.29Å; L409-F413 WeakPolarHBondContact O-CD2 3.47Å; L409-F413 PolarHBondContact O-N 3.49Å; L409-F427 HydrophobicContact CD2-CB 4.45Å; L409-F427 HydrophobicContact CD2-CD1 4.47Å
410	S	84.2	Confident	76.5	Confident	14 Å²	14	56.6 Å²	56.6	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-46.1	178	-163.2	0	0	0	0	111.5	K261 L406 Q407 R412 F413 N414	K261-S410 PolarHBondContact NZ-OG 2.59Å; L406-S410 WeakPolarHBondContact O-CB 3.28Å; L406-S410 PolarHBondContact O-N 2.81Å; Q407-S410 WeakPolarHBondContact O-CB 2.99Å; Q407-S410 PolarHBondContact O-N 3.04Å; S410-R412 VanDerWaalsContact C-N 3.34Å; S410-R412 PolarHBondContact O-N 2.88Å; S410-F413 CarbonylContact O-C 3.54Å; S410-F413 PolarHBondContact O-N 2.78Å; S410-N414 WeakPolarHBondContact O-CB 3.25Å; S410-N414 PolarHBondContact O-N 3.39Å; S410-N414 VanDerWaalsContact O-N 3.15Å
411	E	81.5	Confident	74.3	Confident	128 Å²	128	62.2 Å²	62.2	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-60	-41.6	177.6	-71.9	170.9	-174.4	0	0	112.2	Q407	Q407-E411 WeakPolarHBondContact CG-OE1 3.21Å; Q407-E411 WeakPolarHBondContact O-CG 3.48Å; Q407-E411 PolarHBondContact O-N 2.71Å
412	R	77.4	Confident	72.2	Confident	81 Å²	81	64 Å²	64	31%	0.306	36%	0.36	S	S	.	.	H	α-helix	trans	-75.1	-39.3	-179.6	176.3	165.5	178	-155.4	-2	114.1	H296 A408 L409 S410 N414 F427	H296-R412 PolarHBondContact O-NH2 2.82Å; H296-R412 VanDerWaalsContact O-NH2 3.11Å; A408-R412 WeakPolarHBondContact O-CB 3.14Å; A408-R412 PolarHBondContact O-N 3.02Å; A408-R412 VanDerWaalsContact O-N 3.16Å; L409-R412 PolarHBondContact O-N 3.15Å; S410-R412 VanDerWaalsContact C-N 3.34Å; S410-R412 PolarHBondContact O-N 2.88Å; R412-N414 VanDerWaalsContact C-N 3.33Å; R412-F427 HydrophobicContact CB-CE1 3.81Å; R412-F427 HydrophobicContact CB-CZ 4.41Å; R412-F427 HydrophobicContact CG-CE1 4.17Å; R412-F427 HydrophobicContact CG-CZ 4.35Å
413	F	75.7	Confident	69.9	Low	1 Å²	1	68.3 Å²	68.3	0%	0.004	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	33	-178.2	-62.7	-78.4	0	0	0	111.3	R257 L260 K261 H296 F297 L409 S410 I417	R257-F413 HydrophobicContact CB-CB 4.19Å; R257-F413 WeakPolarHBondContact CD-O 3.4Å; R257-F413 HydrophobicContact CG-CB 4.26Å; R257-F413 HydrophobicContact CG-CD1 4.43Å; L260-F413 HydrophobicContact CB-CZ 4.43Å; L260-F413 HydrophobicContact CD1-CD1 4.26Å; L260-F413 HydrophobicContact CD1-CE1 3.72Å; L260-F413 HydrophobicContact CD1-CZ 4.19Å; K261-F413 WeakPolarHBondContact CE-O 3.42Å; K261-F413 HydrophobicContact CG-CB 4.35Å; K261-F413 HydrophobicContact CG-CD2 4.49Å; K261-F413 PolarHBondContact NZ-O 3.45Å; H296-F413 HydrophobicContact CB-CE1 4.23Å; H296-F413 HydrophobicContact CB-CZ 4.03Å; F297-F413 AromaticContact CE1-CE2 3.77Å; F297-F413 HydrophobicContact CE1-CE2 3.77Å; F297-F413 AromaticContact CE1-CZ 3.95Å; F297-F413 HydrophobicContact CE1-CZ 3.95Å; F297-F413 HydrophobicContact CE2-CZ 4.48Å; F297-F413 AromaticContact CZ-CE2 3.59Å; F297-F413 HydrophobicContact CZ-CE2 3.59Å; F297-F413 AromaticContact CZ-CZ 3.71Å; F297-F413 HydrophobicContact CZ-CZ 3.71Å; L409-F413 HydrophobicContact CD2-CD2 4.23Å; L409-F413 HydrophobicContact CD2-CE2 3.84Å; L409-F413 WeakPolarHBondContact O-CB 3.3Å; L409-F413 VanDerWaalsContact O-CD2 3.29Å; L409-F413 WeakPolarHBondContact O-CD2 3.47Å; L409-F413 PolarHBondContact O-N 3.49Å; S410-F413 CarbonylContact O-C 3.54Å; S410-F413 PolarHBondContact O-N 2.78Å; F413-I417 HydrophobicContact CD1-CG1 4.45Å
414	N	72.4	Confident	67.8	Low	97 Å²	97	77 Å²	77	52%	0.519	44%	0.437	S	S	.	.	S	Bend	trans	-94.6	125.1	169.5	-166.7	11.1	0	0	0	109.9	S410 R412	S410-N414 WeakPolarHBondContact O-CB 3.25Å; S410-N414 PolarHBondContact O-N 3.39Å; S410-N414 VanDerWaalsContact O-N 3.15Å; R412-N414 VanDerWaalsContact C-N 3.33Å
415	G	66.6	Low	66.1	Low	36 Å²	36	73 Å²	73	37%	0.371	42%	0.424	S	S	.	.	S	Bend	trans	74.5	-137	-179.8	0	0	0	0	0	114.4	R257	R257-G415 WeakPolarHBondContact CD-O 3.38Å; R257-G415 PolarHBondContact NE-O 3Å; R257-G415 PolarHBondContact NH1-O 3.31Å
416	E	59.3	Low	64.7	Low	183 Å²	183	75.5 Å²	75.5	86%	0.855	44%	0.44	S	S	*	.	S	Bend	trans	-75.6	135.1	179.8	-67.8	-171.3	171.9	0	0	111.2	A418	E416-A418 VanDerWaalsContact C-N 3.25Å; E416-A418 PolarHBondContact O-N 3.1Å
417	I	58	Low	63.6	Low	68 Å²	68	75 Å²	75	35%	0.349	44%	0.438	S	S	.	.			trans	-72.7	85.5	176.9	-52.9	173.6	0	0	0	107.9	R257 F413 G419	R257-I417 HydrophobicContact CG-CD1 3.95Å; R257-I417 HydrophobicContact CG-CG1 4.04Å; F413-I417 HydrophobicContact CD1-CG1 4.45Å; I417-G419 PolarHBondContact O-N 3.39Å
418	A	51.3	Low	62.7	Low	72 Å²	72	71.9 Å²	71.9	60%	0.595	42%	0.423	S	S	*	.			trans	-65	131.9	177.2	0	0	0	0	0	110.1	E416 E420	E416-A418 VanDerWaalsContact C-N 3.25Å; E416-A418 PolarHBondContact O-N 3.1Å; A418-E420 PolarHBondContact O-N 3.26Å
419	G	50.6	Low	62.2	Low	68 Å²	68	72.4 Å²	72.4	70%	0.701	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	125.2	164.9	0	0	0	0	0	109.3	I417	I417-G419 PolarHBondContact O-N 3.39Å
420	E	50.4	Low	61.7	Low	194 Å²	194	73.8 Å²	73.8	91%	0.907	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	22.3	162	-51.1	-165.7	140.6	0	0	120.4	A418	A418-E420 PolarHBondContact O-N 3.26Å
421	V	43.3	Very low	61.5	Low	121 Å²	121	75.6 Å²	75.6	73%	0.733	44%	0.44	S	S	*	.			trans	-118.5	98.8	174	-169.6	0	0	0	0	112.4
422	A	43.6	Very low	61.3	Low	56 Å²	56	69.5 Å²	69.5	46%	0.463	41%	0.411	S	S	.	.			trans	159.6	88	145	0	0	0	0	0	109.2	H424	A422-H424 PolarHBondContact O-N 3.16Å
423	A	42.7	Very low	61.6	Low	93 Å²	93	65.7 Å²	65.7	77%	0.769	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	5.7	-176.8	0	0	0	0	0	114.7
424	H	45.8	Very low	62	Low	188 Å²	188	66.1 Å²	66.1	87%	0.87	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	1.4	-167.1	-60.2	-45.8	0	0	0	116.5	A422	A422-H424 PolarHBondContact O-N 3.16Å
425	S	52.3	Low	62.4	Low	36 Å²	36	62.1 Å²	62.1	25%	0.252	38%	0.379	S	S	.	.			trans	-107.5	103.6	175.9	59.3	0	0	0	0	110.4	F427	S425-F427 WeakPolarHBondContact O-CD2 3.27Å; S425-F427 VanDerWaalsContact O-CE2 3.26Å; S425-F427 WeakPolarHBondContact O-CE2 3.35Å; S425-F427 WeakPolarHBondContact O-CZ 3.18Å; S425-F427 PolarHBondContact O-N 3.44Å; S425-F427 VanDerWaalsContact O-N 3.13Å; S425-F427 WeakPolarHBondContact OG-CE1 3.44Å; S425-F427 VanDerWaalsContact OG-CZ 3.23Å; S425-F427 WeakPolarHBondContact OG-CZ 2.83Å
426	C	59.2	Low	63.1	Low	53 Å²	53	63.1 Å²	63.1	36%	0.358	38%	0.381	S	S	.	.			trans	-67.7	107.3	173	-166.9	0	0	0	0	109.4	R307 F428	R307-C426 PolarHBondContact NH2-SG 3.46Å; C426-F428 VanDerWaalsContact C-N 3.27Å; C426-F428 PolarHBondContact O-N 3.45Å; C426-F428 PolarHBondContact SG-O 2.94Å
427	F	65.3	Low	64.1	Low	6 Å²	6	55.7 Å²	55.7	3%	0.026	35%	0.348	C	S	.	.	S	Bend	trans	-70.3	-26.4	-175.4	-55.2	-72.4	0	0	0	113.4	E300 A408 L409 R412 S425 P429	E300-F427 HydrophobicContact CB-CD2 4.36Å; E300-F427 HydrophobicContact CG-CB 4.49Å; E300-F427 HydrophobicContact CG-CD2 3.82Å; A408-F427 HydrophobicContact CB-CD1 4.2Å; L409-F427 HydrophobicContact CD2-CB 4.45Å; L409-F427 HydrophobicContact CD2-CD1 4.47Å; R412-F427 HydrophobicContact CB-CE1 3.81Å; R412-F427 HydrophobicContact CB-CZ 4.41Å; R412-F427 HydrophobicContact CG-CE1 4.17Å; R412-F427 HydrophobicContact CG-CZ 4.35Å; S425-F427 WeakPolarHBondContact O-CD2 3.27Å; S425-F427 VanDerWaalsContact O-CE2 3.26Å; S425-F427 WeakPolarHBondContact O-CE2 3.35Å; S425-F427 WeakPolarHBondContact O-CZ 3.18Å; S425-F427 PolarHBondContact O-N 3.44Å; S425-F427 VanDerWaalsContact O-N 3.13Å; S425-F427 WeakPolarHBondContact OG-CE1 3.44Å; S425-F427 VanDerWaalsContact OG-CZ 3.23Å; S425-F427 WeakPolarHBondContact OG-CZ 2.83Å; F427-P429 WeakPolarHBondContact O-CD 2.95Å
428	F	68.6	Low	65.2	Low	1 Å²	1	55.4 Å²	55.4	0%	0.004	35%	0.352	C	S	.	.	S	Bend	trans	-116	96.9	174.5	-60.9	-78.7	0	0	0	107.3	A264 Y293 F297 E300 L301 C426 D430 Y432 F433	A264-F428 HydrophobicContact CB-CE1 3.93Å; A264-F428 HydrophobicContact CB-CZ 3.92Å; Y293-F428 WeakPolarHBondContact OH-CZ 3.33Å; F297-F428 HydrophobicContact CB-CE2 4.05Å; F297-F428 HydrophobicContact CB-CZ 4.38Å; F297-F428 AromaticContact CD1-CE2 3.62Å; F297-F428 HydrophobicContact CD1-CE2 3.62Å; F297-F428 AromaticContact CD1-CZ 3.89Å; F297-F428 HydrophobicContact CD1-CZ 3.89Å; F297-F428 HydrophobicContact CE1-CE2 4.32Å; F297-F428 HydrophobicContact CE1-CZ 4.31Å; F297-F428 AromaticContact CG-CE2 3.99Å; F297-F428 HydrophobicContact CG-CE2 3.99Å; F297-F428 HydrophobicContact CG-CZ 4.06Å; E300-F428 HydrophobicContact CB-CD2 4.46Å; E300-F428 HydrophobicContact CG-CD2 4.23Å; L301-F428 HydrophobicContact CD2-CD2 4.02Å; L301-F428 HydrophobicContact CD2-CE2 3.88Å; L301-F428 HydrophobicContact CD2-CG 4.49Å; L301-F428 HydrophobicContact CD2-CZ 4.24Å; L301-F428 HydrophobicContact CG-CE2 4.23Å; C426-F428 VanDerWaalsContact C-N 3.27Å; C426-F428 PolarHBondContact O-N 3.45Å; C426-F428 PolarHBondContact SG-O 2.94Å; F428-D430 PolarHBondContact O-N 3.2Å; F428-Y432 HydrophobicContact CD1-CD1 4.43Å; F428-F433 HydrophobicContact CB-CE2 3.79Å; F428-F433 HydrophobicContact CB-CZ 4.18Å; F428-F433 HydrophobicContact CD1-CZ 4.34Å; F428-F433 HydrophobicContact CG-CE2 4.42Å; F428-F433 HydrophobicContact CG-CZ 4.31Å
429	P	72.6	Confident	66.7	Low	23 Å²	23	52.1 Å²	52.1	15%	0.149	32%	0.324	C	S	.	.			trans	-49.4	139	163.9	-22.9	32.2	0	0	0	108.7	V401 F427 E431 Y432	V401-P429 HydrophobicContact CG1-CB 4.04Å; V401-P429 HydrophobicContact CG1-CG 4.12Å; F427-P429 WeakPolarHBondContact O-CD 2.95Å; P429-E431 WeakPolarHBondContact CB-OE2 3.26Å; P429-E431 PolarHBondContact O-N 2.9Å; P429-Y432 HydrophobicContact CB-CD2 4.12Å; P429-Y432 HydrophobicContact CG-CD2 3.99Å; P429-Y432 HydrophobicContact CG-CE2 4.06Å; P429-Y432 WeakPolarHBondContact O-CB 3.3Å; P429-Y432 PolarHBondContact O-N 2.96Å
430	D	74.8	Confident	67.9	Low	30 Å²	30	52.9 Å²	52.9	16%	0.16	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-55.9	-32.1	-177.6	-65.7	-16.3	0	0	0	110	R307 F428 Y432 F433 M450 N451	R307-D430 IonicContact CZ-OD1 2.91Å; R307-D430 IonicContact NE-OD1 2.85Å; R307-D430 PolarHBondContact NE-OD1 3.33Å; R307-D430 IonicContact NH2-OD1 3.23Å; R307-D430 PolarHBondContact NH2-OD1 3.41Å; F428-D430 PolarHBondContact O-N 3.2Å; D430-Y432 PolarHBondContact O-N 3.37Å; D430-F433 PolarHBondContact O-N 3.17Å; D430-M450 HydrophobicContact CB-CB 4.08Å; D430-M450 VanDerWaalsContact O-CB 3.3Å; D430-M450 WeakPolarHBondContact O-CB 3.45Å; D430-N451 WeakPolarHBondContact CB-ND2 3.5Å; D430-N451 PolarHBondContact OD2-ND2 2.9Å; D430-N451 VanDerWaalsContact OD2-ND2 3.09Å
431	E	79.4	Confident	69	Low	53 Å²	53	44.8 Å²	44.8	25%	0.248	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-59	-12.8	176.7	-55.9	89.3	155.9	0	0	114.5	S395 V401 P429 S449	S395-E431 PolarHBondContact OG-O 2.93Å; V401-E431 HydrophobicContact CG1-CB 4.19Å; V401-E431 HydrophobicContact CG2-CB 4.23Å; V401-E431 HydrophobicContact CG2-CG 4.49Å; P429-E431 WeakPolarHBondContact CB-OE2 3.26Å; P429-E431 PolarHBondContact O-N 2.9Å; E431-S449 WeakPolarHBondContact O-CB 3.32Å
432	Y	78.4	Confident	70.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-67.4	-29.2	169.1	-94.2	-115.8	0	0	0	112.6	R394 S395 R397 V401 A405 F428 P429 D430	R394-Y432 WeakPolarHBondContact CA-O 3.41Å; S395-Y432 PolarHBondContact N-O 3.45Å; S395-Y432 VanDerWaalsContact N-O 3.16Å; R397-Y432 VanDerWaalsContact NE-CE1 3.34Å; V401-Y432 HydrophobicContact CG1-CD2 3.57Å; V401-Y432 HydrophobicContact CG1-CE2 3.43Å; V401-Y432 VanDerWaalsContact CG1-CE2 3.43Å; A405-Y432 HydrophobicContact CB-CE2 3.67Å; A405-Y432 WeakPolarHBondContact CB-OH 3.4Å; F428-Y432 HydrophobicContact CD1-CD1 4.43Å; P429-Y432 HydrophobicContact CB-CD2 4.12Å; P429-Y432 HydrophobicContact CG-CD2 3.99Å; P429-Y432 HydrophobicContact CG-CE2 4.06Å; P429-Y432 WeakPolarHBondContact O-CB 3.3Å; P429-Y432 PolarHBondContact O-N 2.96Å; D430-Y432 PolarHBondContact O-N 3.37Å
433	F	82.9	Confident	72.3	Confident	1 Å²	1	41 Å²	41	0%	0.004	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-97.4	154.4	-174.2	-58.4	-72.5	0	0	0	111	L301 T304 L310 L317 T393 S395 F428 D430 S449 M450	L301-F433 HydrophobicContact CD2-CZ 4.14Å; T304-F433 HydrophobicContact CG2-CD2 3.74Å; T304-F433 HydrophobicContact CG2-CE2 3.48Å; T304-F433 VanDerWaalsContact CG2-CE2 3.48Å; T304-F433 HydrophobicContact CG2-CZ 4.48Å; L310-F433 HydrophobicContact CD1-CB 4.33Å; L310-F433 HydrophobicContact CD1-CG 4.41Å; L317-F433 HydrophobicContact CB-CE1 3.95Å; L317-F433 HydrophobicContact CD2-CD1 3.97Å; L317-F433 HydrophobicContact CD2-CE1 3.86Å; L317-F433 HydrophobicContact CG-CE1 4.34Å; T393-F433 VanDerWaalsContact O-CA 3.3Å; T393-F433 WeakPolarHBondContact O-CA 3.16Å; S395-F433 PolarHBondContact OG-O 3.49Å; F428-F433 HydrophobicContact CB-CE2 3.79Å; F428-F433 HydrophobicContact CB-CZ 4.18Å; F428-F433 HydrophobicContact CD1-CZ 4.34Å; F428-F433 HydrophobicContact CG-CE2 4.42Å; F428-F433 HydrophobicContact CG-CZ 4.31Å; D430-F433 PolarHBondContact O-N 3.17Å; F433-S449 CarbonylContact O-C 3.45Å; F433-S449 WeakPolarHBondContact O-CA 3.43Å; F433-M450 HydrophobicContact CB-CG 3.98Å; F433-M450 PolarHBondContact O-N 3.26Å
434	T	83.6	Confident	74.2	Confident	10 Å²	10	38.1 Å²	38.1	6%	0.061	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-78.7	142.5	175	-54.5	0	0	0	0	110.3	N391 T393 S395 S436 C446	N391-T434 WeakPolarHBondContact O-CB 3.08Å; N391-T434 WeakPolarHBondContact O-CG2 3.49Å; N391-T434 PolarHBondContact O-OG1 3.21Å; T393-T434 PolarHBondContact O-N 2.9Å; S395-T434 PolarHBondContact N-OG1 3.08Å; T434-S436 PolarHBondContact O-N 3.46Å; T434-C446 WeakPolarHBondContact CG2-O 3.49Å
435	C	82.2	Confident	76	Confident	13 Å²	13	31.1 Å²	31.1	9%	0.088	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-51.4	126.1	171.9	179.7	0	0	0	0	111.3	S437 C446 S448 M450 H459	C435-S437 PolarHBondContact O-N 2.91Å; C435-C446 HydrophobicContact CB-CB 3.73Å; C435-S448 WeakPolarHBondContact CB-O 3.43Å; C435-S448 PolarHBondContact N-O 3.4Å; C435-M450 VanDerWaalsContact CA-SD 3.6Å; C435-H459 VanDerWaalsContact SG-CE1 3.5Å
436	S	80.4	Confident	77.6	Confident	57 Å²	57	29.6 Å²	29.6	40%	0.399	20%	0.202	S	C	.	.			trans	-74.1	-3.9	-178.9	57.8	0	0	0	0	114.4	T434 C438	T434-S436 PolarHBondContact O-N 3.46Å; S436-C438 PolarHBondContact O-N 3Å
437	S	79.7	Confident	78.8	Confident	26 Å²	26	30.5 Å²	30.5	18%	0.182	20%	0.2	C	C	.	.			trans	-70.8	132.4	-178.9	-66.8	0	0	0	0	111.1	C435 C446 H459 W549	C435-S437 PolarHBondContact O-N 2.91Å; S437-C446 WeakPolarHBondContact O-CB 3.32Å; S437-C446 PolarHBondContact O-N 3.5Å; S437-H459 VanDerWaalsContact CB-CE1 3.41Å; S437-H459 WeakPolarHBondContact CB-CE1 3.37Å; S437-H459 PolarHBondContact OG-CE1 2.8Å; S437-W549 WeakPolarHBondContact O-CZ3 3.37Å
438	C	82.9	Confident	79.7	Confident	63 Å²	63	31.3 Å²	31.3	43%	0.426	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-117.3	142.6	176.4	-68.4	0	0	0	0	110.1	S436 L440 P550	S436-C438 PolarHBondContact O-N 3Å; C438-L440 PolarHBondContact O-N 3.46Å; C438-P550 WeakPolarHBondContact O-CD 2.93Å
439	C	81.6	Confident	80.5	Confident	2 Å²	2	32 Å²	32	1%	0.014	21%	0.211	C	C	.	.			trans	-64.5	123.9	176.3	173.8	0	0	0	0	110.2	S441 G443 S444 C465 H547 V548 W549	C439-S441 PolarHBondContact O-N 3.1Å; C439-G443 WeakPolarHBondContact O-CA 3.36Å; C439-G443 PolarHBondContact O-N 2.89Å; C439-S444 WeakPolarHBondContact CB-O 3.26Å; C439-S444 PolarHBondContact N-O 2.89Å; C439-C465 PolarHBondContact SG-SG 3.28Å; C439-H547 HydrophobicContact CB-CB 4.18Å; C439-H547 WeakPolarHBondContact CB-ND1 3.46Å; C439-H547 PolarHBondContact SG-ND1 3.31Å; C439-V548 CarbonylContact C-O 3.46Å; C439-V548 VanDerWaalsContact CA-O 3.22Å; C439-V548 WeakPolarHBondContact CA-O 3.35Å; C439-V548 PolarHBondContact SG-N 3.49Å; C439-W549 HydrophobicContact CB-CE3 4.3Å; C439-W549 HydrophobicContact CB-CH2 4.22Å; C439-W549 HydrophobicContact CB-CZ3 4.06Å; C439-W549 VanDerWaalsContact N-CZ3 3.33Å
440	L	75.4	Confident	80.9	Confident	85 Å²	85	31.6 Å²	31.6	45%	0.445	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.2	-179	-60.8	178.7	0	0	0	112.9	C438 Y471 V548 P550	C438-L440 PolarHBondContact O-N 3.46Å; L440-Y471 HydrophobicContact CB-CE1 4.14Å; L440-Y471 HydrophobicContact CB-CE2 4.03Å; L440-Y471 HydrophobicContact CD1-CE1 4.3Å; L440-Y471 VanDerWaalsContact O-CE2 3.31Å; L440-Y471 WeakPolarHBondContact O-CE2 3.19Å; L440-V548 HydrophobicContact CB-CB 4.29Å; L440-V548 HydrophobicContact CB-CG1 4.17Å; L440-V548 HydrophobicContact CD1-CG1 4.18Å; L440-V548 PolarHBondContact N-O 3.04Å; L440-P550 HydrophobicContact CD2-CG 4.08Å; L440-P550 HydrophobicContact CG-CG 4.33Å
441	S	73.6	Confident	80.9	Confident	23 Å²	23	32.4 Å²	32.4	16%	0.161	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-44	-179	-174.1	0	0	0	0	113.3	C439 R466 S468 N473	C439-S441 PolarHBondContact O-N 3.1Å; S441-R466 PolarHBondContact OG-O 3.48Å; S441-S468 WeakPolarHBondContact OG-CB 3.23Å; S441-N473 PolarHBondContact OG-ND2 2.72Å
442	C	76.7	Confident	80.9	Confident	44 Å²	44	30 Å²	30	30%	0.297	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-5.3	-171.9	72.5	0	0	0	0	114.9	S444 C465 R466 H547	C442-S444 PolarHBondContact O-N 3.13Å; C442-S444 VanDerWaalsContact SG-CB 3.52Å; C442-S444 PolarHBondContact SG-N 3.42Å; C442-S444 PolarHBondContact SG-OG 2.86Å; C442-C465 VanDerWaalsContact SG-SG 3.67Å; C442-R466 HydrophobicContact CB-CB 4.12Å; C442-H547 PolarHBondContact SG-CE1 2.61Å; C442-H547 PolarHBondContact SG-ND1 2.79Å
443	G	79.5	Confident	80.9	Confident	54 Å²	54	34.8 Å²	34.8	56%	0.557	23%	0.226	S	C	*	.			trans	73	2.4	-177.5	0	0	0	0	0	115.1	C439 G445	C439-G443 WeakPolarHBondContact O-CA 3.36Å; C439-G443 PolarHBondContact O-N 2.89Å; G443-G445 PolarHBondContact O-N 3.21Å
444	S	83.3	Confident	80.5	Confident	33 Å²	33	42.5 Å²	42.5	23%	0.231	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65.6	127.6	177.9	-66.8	0	0	0	0	110.9	C439 C442	C439-S444 WeakPolarHBondContact CB-O 3.26Å; C439-S444 PolarHBondContact N-O 2.89Å; C442-S444 PolarHBondContact O-N 3.13Å; C442-S444 VanDerWaalsContact SG-CB 3.52Å; C442-S444 PolarHBondContact SG-N 3.42Å; C442-S444 PolarHBondContact SG-OG 2.86Å
445	G	84.1	Confident	79.9	Confident	40 Å²	40	47.6 Å²	47.6	41%	0.412	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-68	150.9	173.7	0	0	0	0	0	112.6	G443	G443-G445 PolarHBondContact O-N 3.21Å
446	C	84.4	Confident	79.4	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.027	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-62.9	136.9	170.4	-176	0	0	0	0	109.5	T434 C435 S437 E460 W549	T434-C446 WeakPolarHBondContact CG2-O 3.49Å; C435-C446 HydrophobicContact CB-CB 3.73Å; S437-C446 WeakPolarHBondContact O-CB 3.32Å; S437-C446 PolarHBondContact O-N 3.5Å; C446-E460 CarbonylContact C-O 3.55Å; C446-E460 WeakPolarHBondContact CA-O 3.26Å; C446-W549 HydrophobicContact CB-CH2 4.1Å; C446-W549 HydrophobicContact CB-CZ3 3.99Å
447	K	85.6	Confident	79.3	Confident	73 Å²	73	49.5 Å²	49.5	32%	0.317	31%	0.307	S	S	.	.			trans	-88.2	-10.9	179.6	78.3	-176.8	-169.6	-173.1	0	113.4	E460	K447-E460 HydrophobicContact CD-CB 4.47Å; K447-E460 HydrophobicContact CD-CG 4.48Å; K447-E460 WeakPolarHBondContact CE-OE1 3.23Å; K447-E460 WeakPolarHBondContact CE-OE2 3.36Å; K447-E460 HydrophobicContact CG-CB 4.38Å; K447-E460 WeakPolarHBondContact CG-O 3.46Å; K447-E460 PolarHBondContact N-O 3.37Å; K447-E460 IonicContact NZ-OE1 2.76Å; K447-E460 PolarHBondContact NZ-OE1 2.96Å; K447-E460 IonicContact NZ-OE2 3.45Å; K447-E460 PolarHBondContact NZ-OE2 3.3Å
448	S	84.7	Confident	79.5	Confident	23 Å²	23	57.6 Å²	57.6	16%	0.161	34%	0.335	C	S	.	.	S	Bend	trans	-79.8	159.1	-175.2	-53.4	0	0	0	0	111.7	C435 H452	C435-S448 WeakPolarHBondContact CB-O 3.43Å; C435-S448 PolarHBondContact N-O 3.4Å; S448-H452 VanDerWaalsContact CB-CD2 3.47Å; S448-H452 WeakPolarHBondContact CB-CD2 3.42Å
449	S	84.9	Confident	79.6	Confident	14 Å²	14	55.9 Å²	55.9	10%	0.098	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-62.5	157.9	171.5	50.7	0	0	0	0	112	S395 E431 F433 H452	S395-S449 VanDerWaalsContact OG-CA 3.24Å; S395-S449 WeakPolarHBondContact OG-CA 3.34Å; S395-S449 VanDerWaalsContact OG-CB 3.31Å; S395-S449 WeakPolarHBondContact OG-CB 3.29Å; E431-S449 WeakPolarHBondContact O-CB 3.32Å; F433-S449 CarbonylContact O-C 3.45Å; F433-S449 WeakPolarHBondContact O-CA 3.43Å; S449-H452 WeakPolarHBondContact O-CB 3.33Å; S449-H452 PolarHBondContact O-CD2 2.83Å; S449-H452 PolarHBondContact O-N 3.14Å
450	M	81.6	Confident	79.7	Confident	15 Å²	15	60.5 Å²	60.5	7%	0.074	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	152.3	169.7	-72.8	-68.6	-55.9	0	0	110.9	C308 D430 F433 C435 H452	C308-M450 HydrophobicContact CB-CE 3.51Å; C308-M450 HydrophobicContact CB-SD 4.21Å; C308-M450 WeakPolarHBondContact O-CE 3.19Å; D430-M450 HydrophobicContact CB-CB 4.08Å; D430-M450 VanDerWaalsContact O-CB 3.3Å; D430-M450 WeakPolarHBondContact O-CB 3.45Å; F433-M450 HydrophobicContact CB-CG 3.98Å; F433-M450 PolarHBondContact O-N 3.26Å; C435-M450 VanDerWaalsContact CA-SD 3.6Å; M450-H452 PolarHBondContact O-N 3.35Å; M450-H452 VanDerWaalsContact O-N 3.1Å
451	N	74.3	Confident	80.2	Confident	47 Å²	47	57.1 Å²	57.1	25%	0.251	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	8.5	-179.8	-57.1	-32.8	0	0	0	116.1	D430 L453 Q454	D430-N451 WeakPolarHBondContact CB-ND2 3.5Å; D430-N451 PolarHBondContact OD2-ND2 2.9Å; D430-N451 VanDerWaalsContact OD2-ND2 3.09Å; N451-L453 PolarHBondContact O-N 3.45Å; N451-Q454 WeakPolarHBondContact O-CB 3.31Å; N451-Q454 PolarHBondContact O-N 3.11Å
452	H	79.3	Confident	80.4	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.019	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-26	177.7	73.9	81.9	0	0	0	114.6	S448 S449 M450 Q454 E455 G456 S457 Y458 H459	S448-H452 VanDerWaalsContact CB-CD2 3.47Å; S448-H452 WeakPolarHBondContact CB-CD2 3.42Å; S449-H452 WeakPolarHBondContact O-CB 3.33Å; S449-H452 PolarHBondContact O-CD2 2.83Å; S449-H452 PolarHBondContact O-N 3.14Å; M450-H452 PolarHBondContact O-N 3.35Å; M450-H452 VanDerWaalsContact O-N 3.1Å; H452-Q454 VanDerWaalsContact C-N 3.33Å; H452-E455 PolarHBondContact O-N 3.43Å; H452-G456 PolarHBondContact O-N 2.95Å; H452-S457 PolarHBondContact ND1-O 2.87Å; H452-S457 WeakPolarHBondContact O-CB 3.47Å; H452-S457 PolarHBondContact O-N 3.12Å; H452-Y458 PolarHBondContact CE1-O 2.86Å; H452-Y458 PolarHBondContact ND1-O 2.91Å; H452-H459 AromaticContact CE1-CE1 3.75Å; H452-H459 AromaticContact CE1-CG 3.74Å; H452-H459 PolarHBondContact CE1-N 2.96Å; H452-H459 AromaticContact CE1-ND1 3.26Å; H452-H459 PolarHBondContact CE1-ND1 3.03Å; H452-H459 VanDerWaalsContact CE1-ND1 3.26Å; H452-H459 AromaticContact NE2-CE1 3.35Å; H452-H459 PolarHBondContact NE2-CE1 3.06Å; H452-H459 VanDerWaalsContact NE2-CE1 3.35Å; H452-H459 AromaticContact NE2-CG 3.83Å; H452-H459 AromaticContact NE2-ND1 2.9Å; H452-H459 PolarHBondContact NE2-ND1 2.94Å
453	L	77.5	Confident	80.5	Confident	99 Å²	99	65.9 Å²	65.9	52%	0.518	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.7	175.3	-65.5	174.7	0	0	0	112.4	N451 E455 G456 S457	N451-L453 PolarHBondContact O-N 3.45Å; L453-E455 PolarHBondContact O-N 3.47Å; L453-G456 PolarHBondContact O-N 3.32Å; L453-S457 WeakPolarHBondContact CA-O 3.33Å; L453-S457 WeakPolarHBondContact CD2-O 3.3Å
454	Q	74.7	Confident	80.6	Confident	163 Å²	163	74.7 Å²	74.7	76%	0.762	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.4	176.8	-60	-179.9	15.9	0	0	111.4	N451 H452 G456	N451-Q454 WeakPolarHBondContact O-CB 3.31Å; N451-Q454 PolarHBondContact O-N 3.11Å; H452-Q454 VanDerWaalsContact C-N 3.33Å; Q454-G456 PolarHBondContact O-N 3.02Å
455	E	70.7	Confident	80.3	Confident	117 Å²	117	73.6 Å²	73.6	55%	0.547	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	3.9	175.6	-55	-179.6	160	0	0	112.7	H452 L453 S457	H452-E455 PolarHBondContact O-N 3.43Å; L453-E455 PolarHBondContact O-N 3.47Å; E455-S457 VanDerWaalsContact C-N 3.33Å
456	G	71.6	Confident	79.7	Confident	55 Å²	55	80.8 Å²	80.8	57%	0.567	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	11.1	-179.9	0	0	0	0	0	114.7	H452 L453 Q454	H452-G456 PolarHBondContact O-N 2.95Å; L453-G456 PolarHBondContact O-N 3.32Å; Q454-G456 PolarHBondContact O-N 3.02Å
457	S	79.7	Confident	79	Confident	56 Å²	56	85 Å²	85	39%	0.392	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-93.8	143.7	176.7	-64.6	0	0	0	0	111.7	H452 L453 E455	H452-S457 PolarHBondContact ND1-O 2.87Å; H452-S457 WeakPolarHBondContact O-CB 3.47Å; H452-S457 PolarHBondContact O-N 3.12Å; L453-S457 WeakPolarHBondContact CA-O 3.33Å; L453-S457 WeakPolarHBondContact CD2-O 3.3Å; E455-S457 VanDerWaalsContact C-N 3.33Å
458	Y	83.6	Confident	77.5	Confident	195 Å²	195	82.8 Å²	82.8	77%	0.765	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-88.5	163.5	178.8	-52.7	-78.3	0	0	0	112.4	H452 E460	H452-Y458 PolarHBondContact CE1-O 2.86Å; H452-Y458 PolarHBondContact ND1-O 2.91Å; Y458-E460 PolarHBondContact O-N 3.36Å
459	H	84.2	Confident	75.9	Confident	27 Å²	27	85.4 Å²	85.4	13%	0.125	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-66.1	136.1	171.8	-66.5	-64.1	0	0	0	110.2	C435 S437 H452 W549	C435-H459 VanDerWaalsContact SG-CE1 3.5Å; S437-H459 VanDerWaalsContact CB-CE1 3.41Å; S437-H459 WeakPolarHBondContact CB-CE1 3.37Å; S437-H459 PolarHBondContact OG-CE1 2.8Å; H452-H459 AromaticContact CE1-CE1 3.75Å; H452-H459 AromaticContact CE1-CG 3.74Å; H452-H459 PolarHBondContact CE1-N 2.96Å; H452-H459 AromaticContact CE1-ND1 3.26Å; H452-H459 PolarHBondContact CE1-ND1 3.03Å; H452-H459 VanDerWaalsContact CE1-ND1 3.26Å; H452-H459 AromaticContact NE2-CE1 3.35Å; H452-H459 PolarHBondContact NE2-CE1 3.06Å; H452-H459 VanDerWaalsContact NE2-CE1 3.35Å; H452-H459 AromaticContact NE2-CG 3.83Å; H452-H459 AromaticContact NE2-ND1 2.9Å; H452-H459 PolarHBondContact NE2-ND1 2.94Å; H459-W549 HydrophobicContact CB-CB 4.25Å; H459-W549 HydrophobicContact CB-CD2 3.3Å; H459-W549 HydrophobicContact CB-CE3 3.86Å; H459-W549 HydrophobicContact CB-CG 3.47Å; H459-W549 VanDerWaalsContact CB-CG 3.47Å; H459-W549 HydrophobicContact CB-CH2 4.38Å; H459-W549 HydrophobicContact CB-CZ2 3.91Å; H459-W549 HydrophobicContact CB-CZ3 4.35Å; H459-W549 AromaticContact CD2-CG 3.82Å; H459-W549 AromaticContact CG-CD2 3.89Å; H459-W549 AromaticContact CG-CG 3.91Å; H459-W549 PolarHBondContact O-NE1 2.85Å
460	E	85.2	Confident	74.3	Confident	100 Å²	100	91.9 Å²	91.9	47%	0.467	44%	0.443	S	S	.	.			trans	-140.3	145.1	-177.7	-158.8	-170.5	158.5	0	0	110	C446 K447 Y458	C446-E460 CarbonylContact C-O 3.55Å; C446-E460 WeakPolarHBondContact CA-O 3.26Å; K447-E460 HydrophobicContact CD-CB 4.47Å; K447-E460 HydrophobicContact CD-CG 4.48Å; K447-E460 WeakPolarHBondContact CE-OE1 3.23Å; K447-E460 WeakPolarHBondContact CE-OE2 3.36Å; K447-E460 HydrophobicContact CG-CB 4.38Å; K447-E460 WeakPolarHBondContact CG-O 3.46Å; K447-E460 PolarHBondContact N-O 3.37Å; K447-E460 IonicContact NZ-OE1 2.76Å; K447-E460 PolarHBondContact NZ-OE1 2.96Å; K447-E460 IonicContact NZ-OE2 3.45Å; K447-E460 PolarHBondContact NZ-OE2 3.3Å; Y458-E460 PolarHBondContact O-N 3.36Å
461	A	84.4	Confident	73.1	Confident	13 Å²	13	94.2 Å²	94.2	11%	0.107	45%	0.452	C	S	.	.			trans	-125.4	147.9	173.9	0	0	0	0	0	110.2	Q463 W549	A461-Q463 VanDerWaalsContact C-N 3.34Å; A461-Q463 PolarHBondContact O-N 2.81Å; A461-W549 HydrophobicContact CB-CH2 3.95Å; A461-W549 HydrophobicContact CB-CZ2 4.03Å
462	K	78.4	Confident	72.4	Confident	123 Å²	123	94.5 Å²	94.5	54%	0.535	45%	0.453	S	S	.	.	S	Bend	trans	-68.1	-33.8	-177.7	-171.3	172.7	-179.3	175.8	0	112.5	D389	D389-K462 IonicContact OD1-NZ 3.52Å; D389-K462 PolarHBondContact OD1-NZ 3.26Å; D389-K462 IonicContact OD2-NZ 3.76Å; D389-K462 PolarHBondContact OD2-NZ 3.44Å
463	Q	79.4	Confident	71.8	Confident	129 Å²	129	94.3 Å²	94.3	60%	0.603	45%	0.452	S	S	*	.	S	Bend	trans	-94.1	155.8	-177.6	-60.5	-57.8	-24.7	0	0	111.4	A461 H547	A461-Q463 VanDerWaalsContact C-N 3.34Å; A461-Q463 PolarHBondContact O-N 2.81Å; Q463-H547 PolarHBondContact O-CE1 3.23Å; Q463-H547 PolarHBondContact O-NE2 2.73Å
464	R	81.3	Confident	71.4	Confident	238 Å²	238	94.8 Å²	94.8	90%	0.898	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-66.8	146.4	172.5	-68.2	-176.5	178.7	176.6	0	110.4
465	C	76.3	Confident	71.3	Confident	11 Å²	11	88 Å²	88	7%	0.074	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-75.1	161.3	176.9	-160	0	0	0	0	111.5	C439 C442 N473 I545 Q546 H547	C439-C465 PolarHBondContact SG-SG 3.28Å; C442-C465 VanDerWaalsContact SG-SG 3.67Å; C465-N473 PolarHBondContact SG-ND2 2.87Å; C465-N473 VanDerWaalsContact SG-ND2 3.44Å; C465-I545 HydrophobicContact CB-CG2 3.97Å; C465-Q546 WeakPolarHBondContact CB-O 3.38Å; C465-Q546 PolarHBondContact SG-O 3.41Å; C465-Q546 VanDerWaalsContact SG-O 3.36Å; C465-H547 HydrophobicContact CB-CB 4.43Å; C465-H547 PolarHBondContact N-NE2 2.9Å; C465-H547 PolarHBondContact SG-ND1 3.5Å; C465-H547 VanDerWaalsContact SG-ND1 3.44Å
466	R	72.6	Confident	71.7	Confident	191 Å²	191	83.7 Å²	83.7	72%	0.721	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-97.7	142.7	171.1	-175.1	177.2	177.5	178.2	0.6	109.5	S441 C442 S468 N473	S441-R466 PolarHBondContact OG-O 3.48Å; C442-R466 HydrophobicContact CB-CB 4.12Å; R466-S468 PolarHBondContact O-N 3.05Å; R466-N473 PolarHBondContact O-ND2 3.2Å
467	Y	69.7	Low	72.2	Confident	93 Å²	93	81.6 Å²	81.6	37%	0.365	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-67.2	131.1	173.1	175	-105.5	0	0	0	110.5	A469 N473 R474	Y467-A469 HydrophobicContact CE1-CB 4.21Å; Y467-N473 VanDerWaalsContact CA-OD1 3.3Å; Y467-N473 WeakPolarHBondContact CA-OD1 3.26Å; Y467-R474 HydrophobicContact CD2-CB 4.06Å; Y467-R474 HydrophobicContact CE2-CB 3.98Å
468	S	53.7	Low	72.4	Confident	26 Å²	26	79 Å²	79	18%	0.182	35%	0.354	C	S	.	.			trans	-127.1	121.3	170.9	174.5	0	0	0	0	109.6	S441 R466 Q470 Y471 D472 N473	S441-S468 WeakPolarHBondContact OG-CB 3.23Å; R466-S468 PolarHBondContact O-N 3.05Å; S468-Q470 PolarHBondContact O-N 2.9Å; S468-Q470 PolarHBondContact OG-N 3.05Å; S468-Y471 PolarHBondContact O-N 3.28Å; S468-Y471 VanDerWaalsContact O-N 3.14Å; S468-Y471 WeakPolarHBondContact OG-CD2 3.21Å; S468-D472 PolarHBondContact O-N 3.26Å; S468-N473 PolarHBondContact N-OD1 3.47Å
469	A	51.7	Low	72.5	Confident	77 Å²	77	73.2 Å²	73.2	64%	0.636	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.5	178	0	0	0	0	0	113	Y467 Y471	Y467-A469 HydrophobicContact CE1-CB 4.21Å; A469-Y471 VanDerWaalsContact C-N 3.34Å
470	Q	51.4	Low	72.5	Confident	151 Å²	151	74.7 Å²	74.7	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-34.4	176.4	-179.8	179.4	-1.2	0	0	112.3	S468	S468-Q470 PolarHBondContact O-N 2.9Å; S468-Q470 PolarHBondContact OG-N 3.05Å
471	Y	56.1	Low	72.5	Confident	64 Å²	64	70.5 Å²	70.5	25%	0.251	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-6.1	-176.1	-56.8	-65.7	0	0	0	113.2	L440 S468 A469 N473 V548	L440-Y471 HydrophobicContact CB-CE1 4.14Å; L440-Y471 HydrophobicContact CB-CE2 4.03Å; L440-Y471 HydrophobicContact CD1-CE1 4.3Å; L440-Y471 VanDerWaalsContact O-CE2 3.31Å; L440-Y471 WeakPolarHBondContact O-CE2 3.19Å; S468-Y471 PolarHBondContact O-N 3.28Å; S468-Y471 VanDerWaalsContact O-N 3.14Å; S468-Y471 WeakPolarHBondContact OG-CD2 3.21Å; A469-Y471 VanDerWaalsContact C-N 3.34Å; Y471-N473 PolarHBondContact O-N 2.85Å; Y471-N473 VanDerWaalsContact O-N 3.08Å; Y471-V548 HydrophobicContact CD1-CG1 4.09Å; Y471-V548 HydrophobicContact CG-CG1 4.16Å; Y471-V548 HydrophobicContact CG-CG2 4.29Å
472	D	60	Low	72.4	Confident	52 Å²	52	74.4 Å²	74.4	28%	0.278	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.2	49.7	-174.2	-162.5	21.2	0	0	0	113	S468 R474	S468-D472 PolarHBondContact O-N 3.26Å; D472-R474 PolarHBondContact O-N 3.44Å
473	N	66.2	Low	72.8	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	35%	0.35	C	S	.	.			trans	-78.4	31.8	-170.7	69	-39.9	0	0	0	113.5	S441 C465 R466 Y467 S468 Y471 I545 Q546 V548 F555	S441-N473 PolarHBondContact OG-ND2 2.72Å; C465-N473 PolarHBondContact SG-ND2 2.87Å; C465-N473 VanDerWaalsContact SG-ND2 3.44Å; R466-N473 PolarHBondContact O-ND2 3.2Å; Y467-N473 VanDerWaalsContact CA-OD1 3.3Å; Y467-N473 WeakPolarHBondContact CA-OD1 3.26Å; S468-N473 PolarHBondContact N-OD1 3.47Å; Y471-N473 PolarHBondContact O-N 2.85Å; Y471-N473 VanDerWaalsContact O-N 3.08Å; N473-I545 VanDerWaalsContact ND2-CG2 3.31Å; N473-I545 WeakPolarHBondContact ND2-CG2 3.45Å; N473-I545 WeakPolarHBondContact O-CA 3.48Å; N473-Q546 WeakPolarHBondContact CB-O 3.37Å; N473-Q546 PolarHBondContact ND2-O 3.26Å; N473-Q546 PolarHBondContact O-N 3.14Å; N473-V548 HydrophobicContact CB-CG2 3.35Å; N473-F555 HydrophobicContact CB-CD1 4.34Å; N473-F555 HydrophobicContact CB-CE1 4.44Å
474	R	68.4	Low	72.8	Confident	109 Å²	109	72.2 Å²	72.2	41%	0.411	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.8	179.1	-177	179.4	-83.8	-164.3	-6.6	108.5	Y467 D472 F476 T543	Y467-R474 HydrophobicContact CD2-CB 4.06Å; Y467-R474 HydrophobicContact CE2-CB 3.98Å; D472-R474 PolarHBondContact O-N 3.44Å; R474-F476 HydrophobicContact CG-CE1 4.39Å; R474-F476 HydrophobicContact CG-CZ 4.48Å; R474-T543 HydrophobicContact CG-CG2 3.3Å
475	I	73.9	Confident	72.8	Confident	21 Å²	21	64.3 Å²	64.3	11%	0.108	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	152.8	173.8	61.4	153.6	0	0	0	111.1	L489 T543 E544 Q546 F555	I475-L489 HydrophobicContact CB-CD1 3.71Å; I475-L489 HydrophobicContact CD1-CD1 3.72Å; I475-L489 HydrophobicContact CG1-CD1 4.3Å; I475-L489 HydrophobicContact CG2-CD1 4.17Å; I475-T543 WeakPolarHBondContact O-CA 3.37Å; I475-E544 HydrophobicContact CD1-CB 4.12Å; I475-E544 HydrophobicContact CG1-CB 3.84Å; I475-E544 VanDerWaalsContact CG1-O 3.31Å; I475-E544 WeakPolarHBondContact CG1-O 3.11Å; I475-E544 PolarHBondContact N-O 3.21Å; I475-E544 PolarHBondContact O-N 2.95Å; I475-Q546 HydrophobicContact CD1-CG 3.87Å; I475-Q546 HydrophobicContact CG1-CG 4.03Å; I475-F555 HydrophobicContact CG2-CE1 4.04Å
476	F	78.4	Confident	72.8	Confident	27 Å²	27	70 Å²	70	12%	0.118	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.5	176.3	-57.4	-65.9	0	0	0	110.7	R474 V490 P492 V537 V541 R542	R474-F476 HydrophobicContact CG-CE1 4.39Å; R474-F476 HydrophobicContact CG-CZ 4.48Å; F476-V490 HydrophobicContact CB-CG2 3.81Å; F476-V490 WeakPolarHBondContact CB-O 3.14Å; F476-V490 WeakPolarHBondContact O-CG2 3.36Å; F476-V490 PolarHBondContact O-N 3.13Å; F476-V490 VanDerWaalsContact O-O 3.09Å; F476-P492 HydrophobicContact CD2-CG 4.1Å; F476-P492 HydrophobicContact CE2-CG 3.89Å; F476-V537 HydrophobicContact CD1-CG2 4.27Å; F476-V537 HydrophobicContact CE1-CG2 3.71Å; F476-V541 HydrophobicContact CB-CB 4Å; F476-V541 HydrophobicContact CB-CG1 4.27Å; F476-V541 HydrophobicContact CB-CG2 4.01Å; F476-V541 HydrophobicContact CD1-CB 4.36Å; F476-V541 HydrophobicContact CD1-CG2 3.5Å; F476-V541 HydrophobicContact CE1-CG2 4.23Å; F476-V541 HydrophobicContact CG-CG2 3.97Å; F476-R542 CarbonylContact C-O 3.48Å; F476-R542 WeakPolarHBondContact CA-O 3.48Å
477	T	82.4	Confident	73.1	Confident	11 Å²	11	67.7 Å²	67.7	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.6	172.1	51.5	0	0	0	0	110.4	K479 V488 V541 R542	T477-K479 PolarHBondContact O-N 3.49Å; T477-V488 CarbonylContact C-O 3.54Å; T477-V488 VanDerWaalsContact CA-O 3.3Å; T477-V488 WeakPolarHBondContact CA-O 3.35Å; T477-V541 CarbonylContact O-C 3.35Å; T477-V541 WeakPolarHBondContact O-CA 3.41Å; T477-V541 WeakPolarHBondContact O-CB 3.13Å; T477-R542 PolarHBondContact N-O 3.08Å; T477-R542 PolarHBondContact O-N 2.89Å; T477-R542 PolarHBondContact OG1-O 3.5Å
478	C	82.6	Confident	73.4	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.007	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.7	-179.8	178.8	0	0	0	0	110.9	C481 Y482 V488 V490 C517 I523	C478-C481 HydrophobicContact CB-CB 4.07Å; C478-C481 PolarHBondContact O-N 3.27Å; C478-Y482 PolarHBondContact O-N 2.59Å; C478-Y482 VanDerWaalsContact O-N 3.13Å; C478-V488 HydrophobicContact CB-CB 4.46Å; C478-V488 PolarHBondContact N-O 3.37Å; C478-V490 HydrophobicContact CB-CG1 3.94Å; C478-C517 HydrophobicContact CB-CB 4.18Å; C478-I523 HydrophobicContact CB-CD1 4.14Å
479	K	86.1	Confident	74.3	Confident	74 Å²	74	68 Å²	68	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-64.2	-42.9	-178.1	-169.2	178.9	178.7	-179.6	0	112.4	T477 C481 Y482 E483 V540 R542	T477-K479 PolarHBondContact O-N 3.49Å; K479-C481 PolarHBondContact O-N 2.66Å; K479-Y482 WeakPolarHBondContact O-CB 3.43Å; K479-Y482 PolarHBondContact O-N 2.98Å; K479-E483 WeakPolarHBondContact O-CG 3.47Å; K479-E483 PolarHBondContact O-N 3.25Å; K479-V540 VanDerWaalsContact CB-O 3.3Å; K479-V540 WeakPolarHBondContact CB-O 3.44Å; K479-V540 PolarHBondContact N-O 3.37Å; K479-R542 HydrophobicContact CB-CG 4.45Å; K479-R542 HydrophobicContact CG-CG 4.33Å
480	A	85.4	Confident	75.2	Confident	58 Å²	58	64.4 Å²	64.4	48%	0.479	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-41.7	179.4	0	0	0	0	0	113	Y482 G484	A480-Y482 VanDerWaalsContact C-N 3.32Å; A480-Y482 PolarHBondContact O-N 2.82Å; A480-G484 PolarHBondContact O-N 3Å
481	C	84.2	Confident	75.6	Confident	12 Å²	12	60.7 Å²	60.7	8%	0.081	33%	0.329	C	S	.	.	H	α-helix	trans	-63.8	-40.7	174.4	-75.8	0	0	0	0	111.5	C478 K479 G484 G485 K486 V488 C520	C478-C481 HydrophobicContact CB-CB 4.07Å; C478-C481 PolarHBondContact O-N 3.27Å; K479-C481 PolarHBondContact O-N 2.66Å; C481-G484 CarbonylContact O-C 3.43Å; C481-G484 WeakPolarHBondContact O-CA 3.48Å; C481-G484 PolarHBondContact O-N 2.79Å; C481-G484 VanDerWaalsContact O-N 3.1Å; C481-G485 PolarHBondContact O-N 3.13Å; C481-K486 CarbonylContact C-O 3.6Å; C481-K486 HydrophobicContact CB-CB 4.47Å; C481-K486 WeakPolarHBondContact CB-O 3.46Å; C481-K486 PolarHBondContact O-N 3.44Å; C481-V488 HydrophobicContact CB-CB 4.14Å; C481-V488 HydrophobicContact CB-CG2 3.78Å; C481-C520 PolarHBondContact SG-SG 3.28Å
482	Y	83.1	Confident	75.8	Confident	95 Å²	95	58.2 Å²	58.2	37%	0.373	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-43.3	-179.5	-177.3	-98.7	0	0	0	112.2	C478 K479 A480 G484 G485 K486 E487 R542	C478-Y482 PolarHBondContact O-N 2.59Å; C478-Y482 VanDerWaalsContact O-N 3.13Å; K479-Y482 WeakPolarHBondContact O-CB 3.43Å; K479-Y482 PolarHBondContact O-N 2.98Å; A480-Y482 VanDerWaalsContact C-N 3.32Å; A480-Y482 PolarHBondContact O-N 2.82Å; Y482-G484 PolarHBondContact O-N 3.41Å; Y482-G485 WeakPolarHBondContact O-CA 3.34Å; Y482-G485 PolarHBondContact O-N 3.11Å; Y482-K486 VanDerWaalsContact CA-O 3.3Å; Y482-K486 WeakPolarHBondContact CA-O 3.39Å; Y482-K486 PolarHBondContact N-O 3.17Å; Y482-K486 VanDerWaalsContact N-O 3.1Å; Y482-E487 HydrophobicContact CD2-CG 3.78Å; Y482-E487 HydrophobicContact CE2-CG 4.12Å; Y482-E487 WeakPolarHBondContact CE2-OE1 3.41Å; Y482-R542 VanDerWaalsContact CD1-NH1 3.31Å; Y482-R542 VanDerWaalsContact CG-NH1 3.35Å
483	E	85.3	Confident	75.5	Confident	145 Å²	145	59.7 Å²	59.7	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-61.4	-28.4	173.7	-71.5	170.8	-177.2	0	0	112	K479 G485	K479-E483 WeakPolarHBondContact O-CG 3.47Å; K479-E483 PolarHBondContact O-N 3.25Å; E483-G485 VanDerWaalsContact C-N 3.29Å; E483-G485 PolarHBondContact O-N 3.4Å
484	G	81.1	Confident	74.7	Confident	61 Å²	61	62.8 Å²	62.8	63%	0.629	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	9	170.2	0	0	0	0	0	115.4	A480 C481 Y482	A480-G484 PolarHBondContact O-N 3Å; C481-G484 CarbonylContact O-C 3.43Å; C481-G484 WeakPolarHBondContact O-CA 3.48Å; C481-G484 PolarHBondContact O-N 2.79Å; C481-G484 VanDerWaalsContact O-N 3.1Å; Y482-G484 PolarHBondContact O-N 3.41Å
485	G	79.8	Confident	73.9	Confident	72 Å²	72	60.2 Å²	60.2	74%	0.742	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	16.9	178.1	0	0	0	0	0	115.5	C481 Y482 E483	C481-G485 PolarHBondContact O-N 3.13Å; Y482-G485 WeakPolarHBondContact O-CA 3.34Å; Y482-G485 PolarHBondContact O-N 3.11Å; E483-G485 VanDerWaalsContact C-N 3.29Å; E483-G485 PolarHBondContact O-N 3.4Å
486	K	76.9	Confident	73	Confident	131 Å²	131	59.4 Å²	59.4	57%	0.57	34%	0.339	S	S	*	.			trans	-124.5	127.7	-179.4	-64.9	-178.9	-178.5	177.9	0	111.9	C481 Y482	C481-K486 CarbonylContact C-O 3.6Å; C481-K486 HydrophobicContact CB-CB 4.47Å; C481-K486 WeakPolarHBondContact CB-O 3.46Å; C481-K486 PolarHBondContact O-N 3.44Å; Y482-K486 VanDerWaalsContact CA-O 3.3Å; Y482-K486 WeakPolarHBondContact CA-O 3.39Å; Y482-K486 PolarHBondContact N-O 3.17Å; Y482-K486 VanDerWaalsContact N-O 3.1Å
487	E	78.8	Confident	72	Confident	141 Å²	141	62.7 Å²	62.7	66%	0.659	37%	0.365	S	S	*	.			trans	-88.2	114.8	172.9	-75.9	-179.4	176.7	0	0	110.7	Y482	Y482-E487 HydrophobicContact CD2-CG 3.78Å; Y482-E487 HydrophobicContact CE2-CG 4.12Å; Y482-E487 WeakPolarHBondContact CE2-OE1 3.41Å
488	V	76.9	Confident	70.5	Confident	23 Å²	23	66.7 Å²	66.7	14%	0.139	39%	0.394	C	S	.	.			trans	-122.8	111.2	178.2	-178.3	0	0	0	0	108.9	T477 C478 C481 V490 P518	T477-V488 CarbonylContact C-O 3.54Å; T477-V488 VanDerWaalsContact CA-O 3.3Å; T477-V488 WeakPolarHBondContact CA-O 3.35Å; C478-V488 HydrophobicContact CB-CB 4.46Å; C478-V488 PolarHBondContact N-O 3.37Å; C481-V488 HydrophobicContact CB-CB 4.14Å; C481-V488 HydrophobicContact CB-CG2 3.78Å; V488-V490 HydrophobicContact CG1-CG1 4.48Å; V488-P518 HydrophobicContact CG1-CG 4.47Å
489	L	70.6	Confident	68.9	Low	102 Å²	102	69.1 Å²	69.1	53%	0.534	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.8	172.8	-173	77.2	0	0	0	109.6	I475	I475-L489 HydrophobicContact CB-CD1 3.71Å; I475-L489 HydrophobicContact CD1-CD1 3.72Å; I475-L489 HydrophobicContact CG1-CD1 4.3Å; I475-L489 HydrophobicContact CG2-CD1 4.17Å
490	V	71.1	Confident	66.8	Low	2 Å²	2	68.5 Å²	68.5	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.7	177	-64.6	0	0	0	0	109.2	F476 C478 V488 I515 C517 I523 V541	F476-V490 HydrophobicContact CB-CG2 3.81Å; F476-V490 WeakPolarHBondContact CB-O 3.14Å; F476-V490 WeakPolarHBondContact O-CG2 3.36Å; F476-V490 PolarHBondContact O-N 3.13Å; F476-V490 VanDerWaalsContact O-O 3.09Å; C478-V490 HydrophobicContact CB-CG1 3.94Å; V488-V490 HydrophobicContact CG1-CG1 4.48Å; V490-I515 HydrophobicContact CB-CG2 3.55Å; V490-I515 HydrophobicContact CG1-CG2 4.44Å; V490-I515 HydrophobicContact CG2-CG2 3.53Å; V490-C517 HydrophobicContact CG1-CB 3.88Å; V490-I523 HydrophobicContact CG1-CD1 4.22Å; V490-I523 HydrophobicContact CG2-CD1 4.21Å; V490-V541 HydrophobicContact CG2-CB 4.44Å; V490-V541 HydrophobicContact CG2-CG1 3.66Å
491	V	61	Low	64.7	Low	74 Å²	74	71.5 Å²	71.5	45%	0.448	43%	0.426	S	S	.	.			trans	-126.2	142.2	179.3	-66.8	0	0	0	0	109.4	K493	V491-K493 HydrophobicContact CG2-CG 4.47Å; V491-K493 PolarHBondContact O-N 2.78Å
492	P	58.6	Low	62.5	Low	12 Å²	12	80.8 Å²	80.8	8%	0.078	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134.4	169.5	-19.1	31.7	0	0	0	110.7	F476 Y513 V514 I515 N559	F476-P492 HydrophobicContact CD2-CG 4.1Å; F476-P492 HydrophobicContact CE2-CG 3.89Å; P492-Y513 HydrophobicContact CB-CD2 3.58Å; P492-Y513 HydrophobicContact CB-CE2 4.22Å; P492-Y513 HydrophobicContact CB-CG 3.95Å; P492-Y513 HydrophobicContact CG-CD2 4.26Å; P492-Y513 HydrophobicContact CG-CE2 4.42Å; P492-V514 CarbonylContact C-O 3.59Å; P492-V514 WeakPolarHBondContact CA-O 3.46Å; P492-I515 HydrophobicContact CB-CG1 4.35Å; P492-I515 HydrophobicContact CG-CD1 4.48Å; P492-I515 HydrophobicContact CG-CG1 4.27Å; P492-N559 WeakPolarHBondContact CB-OD1 3.31Å
493	K	55.6	Low	60.4	Low	82 Å²	82	82 Å²	82	36%	0.357	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.6	178.9	-60.9	-179.6	-172.7	174.7	0	109.6	V491 S495 Y513 V514 E516	V491-K493 HydrophobicContact CG2-CG 4.47Å; V491-K493 PolarHBondContact O-N 2.78Å; K493-S495 WeakPolarHBondContact CB-O 3.3Å; K493-Y513 CarbonylContact O-C 3.5Å; K493-Y513 WeakPolarHBondContact O-CA 3.48Å; K493-V514 PolarHBondContact N-O 3.16Å; K493-V514 PolarHBondContact O-N 2.84Å; K493-E516 IonicContact NZ-OE2 2.85Å; K493-E516 PolarHBondContact NZ-OE2 3.11Å
494	T	47.8	Very low	58.2	Low	66 Å²	66	75.5 Å²	75.5	41%	0.405	44%	0.442	S	S	.	.	S	Bend	trans	-84.8	-10.5	176.2	51.3	0	0	0	0	113.6	A562	T494-A562 HydrophobicContact CG2-CB 4.4Å
495	S	52.3	Low	56.1	Low	55 Å²	55	78.1 Å²	78.1	39%	0.385	44%	0.441	S	S	.	.	S	Bend	trans	-151.4	152.7	177.6	51.4	0	0	0	0	110.5	K493	K493-S495 WeakPolarHBondContact CB-O 3.3Å
496	A	54.6	Low	54.1	Low	4 Å²	4	78.4 Å²	78.4	3%	0.033	44%	0.436	C	S	.	.			trans	-78.1	147.7	171.3	0	0	0	0	0	109.7	S498 D499 V522	A496-S498 PolarHBondContact O-N 3.19Å; A496-D499 PolarHBondContact O-N 3.48Å; A496-V522 HydrophobicContact CB-CG2 3.68Å
497	S	57.3	Low	52.1	Low	96 Å²	96	81.3 Å²	81.3	67%	0.671	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.9	-178.5	65.9	0	0	0	0	114.2	E516	S497-E516 WeakPolarHBondContact CB-OE1 3.18Å; S497-E516 WeakPolarHBondContact CB-OE2 3.44Å; S497-E516 PolarHBondContact N-OE1 3.46Å; S497-E516 PolarHBondContact N-OE2 2.79Å; S497-E516 PolarHBondContact OG-OE1 3.22Å; S497-E516 PolarHBondContact OG-OE2 3.4Å
498	S	50.8	Low	50.3	Low	95 Å²	95	75.9 Å²	75.9	66%	0.664	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.3	-179.2	60.6	0	0	0	0	115.4	A496	A496-S498 PolarHBondContact O-N 3.19Å
499	D	49.2	Very low	48.4	Very low	51 Å²	51	75.7 Å²	75.7	27%	0.273	42%	0.418	S	S	.	.	S	Bend	trans	-91.4	140.3	-173.4	-71.3	-31.8	0	0	0	113.1	A496 Y508	A496-D499 PolarHBondContact O-N 3.48Å; D499-Y508 WeakPolarHBondContact OD2-CE2 3.13Å; D499-Y508 PolarHBondContact OD2-OH 3.09Å
500	S	43.1	Very low	47	Very low	62 Å²	62	78.5 Å²	78.5	43%	0.434	42%	0.422	S	S	.	.			trans	-67.7	144	174.5	88.6	0	0	0	0	111	W502 M503 G504	S500-W502 PolarHBondContact O-N 3.46Å; S500-M503 PolarHBondContact O-N 2.85Å; S500-M503 VanDerWaalsContact OG-CB 3.31Å; S500-M503 WeakPolarHBondContact OG-CB 3.19Å; S500-M503 PolarHBondContact OG-N 3.08Å; S500-G504 PolarHBondContact O-N 3.26Å
501	P	41.4	Very low	45.4	Very low	120 Å²	120	79.3 Å²	79.3	78%	0.779	43%	0.428	S	S	*	.	H	α-helix	trans	-55.6	-30.2	-174.1	-25.5	32.7	0	0	0	114.6
502	W	37.9	Very low	44.9	Very low	207 Å²	207	76.8 Å²	76.8	78%	0.784	42%	0.416	S	S	*	.	H	α-helix	trans	-89.5	-41.5	-176.6	-173.1	-101.8	0	0	0	113.1	S500	S500-W502 PolarHBondContact O-N 3.46Å
503	M	38.5	Very low	44.8	Very low	120 Å²	120	79.4 Å²	79.4	59%	0.591	43%	0.425	S	S	*	.	H	α-helix	trans	-77.4	-26.2	-179.9	-145.2	74	76.9	0	0	112.2	S500 R507	S500-M503 PolarHBondContact O-N 2.85Å; S500-M503 VanDerWaalsContact OG-CB 3.31Å; S500-M503 WeakPolarHBondContact OG-CB 3.19Å; S500-M503 PolarHBondContact OG-N 3.08Å; M503-R507 PolarHBondContact O-N 2.82Å; M503-R507 VanDerWaalsContact O-N 3.16Å
504	G	39	Very low	45.3	Very low	9 Å²	9	75.6 Å²	75.6	9%	0.093	41%	0.408	C	S	.	.	H	α-helix	trans	-67	-37.2	174.4	0	0	0	0	0	112.9	S500 Y508	S500-G504 PolarHBondContact O-N 3.26Å; G504-Y508 WeakPolarHBondContact O-CB 3.36Å; G504-Y508 WeakPolarHBondContact O-CD2 3.42Å; G504-Y508 PolarHBondContact O-N 2.87Å
505	L	37.4	Very low	46.4	Very low	116 Å²	116	72.4 Å²	72.4	61%	0.607	39%	0.389	S	S	*	.	H	α-helix	trans	-67.6	-40.9	176.9	-84.7	158.9	0	0	0	112.5	A509	L505-A509 VanDerWaalsContact O-CB 3.23Å; L505-A509 WeakPolarHBondContact O-CB 3.47Å; L505-A509 PolarHBondContact O-N 3.17Å; L505-A509 VanDerWaalsContact O-N 3.08Å
506	A	37.1	Very low	47.5	Very low	78 Å²	78	70.8 Å²	70.8	65%	0.645	38%	0.375	S	S	*	.	H	α-helix	trans	-75	-36	-177.5	0	0	0	0	0	113.6
507	R	36	Very low	48.6	Very low	193 Å²	193	70.6 Å²	70.6	73%	0.728	37%	0.374	S	S	*	.	H	α-helix	trans	-77.3	-30.8	174.8	-102.1	-179.5	171.3	168.6	-1.7	113.3	M503	M503-R507 PolarHBondContact O-N 2.82Å; M503-R507 VanDerWaalsContact O-N 3.16Å
508	Y	40.6	Very low	49.4	Very low	27 Å²	27	71.2 Å²	71.2	11%	0.106	38%	0.375	C	S	.	.	H	α-helix	trans	-108.4	-0.6	-168.1	-62	-105.7	0	0	0	115.2	D499 G504 W510 S511 V514 R525	D499-Y508 WeakPolarHBondContact OD2-CE2 3.13Å; D499-Y508 PolarHBondContact OD2-OH 3.09Å; G504-Y508 WeakPolarHBondContact O-CB 3.36Å; G504-Y508 WeakPolarHBondContact O-CD2 3.42Å; G504-Y508 PolarHBondContact O-N 2.87Å; Y508-W510 PolarHBondContact O-N 2.96Å; Y508-S511 WeakPolarHBondContact CA-OG 3.49Å; Y508-S511 WeakPolarHBondContact CB-OG 3.43Å; Y508-S511 WeakPolarHBondContact CD1-OG 3.35Å; Y508-S511 PolarHBondContact O-N 3.44Å; Y508-S511 PolarHBondContact O-OG 3.26Å; Y508-V514 HydrophobicContact CD1-CG2 4.23Å; Y508-V514 HydrophobicContact CE1-CG2 3.85Å; Y508-R525 VanDerWaalsContact CZ-NH1 3.35Å; Y508-R525 PolarHBondContact OH-NH1 3.35Å; Y508-R525 PolarHBondContact OH-NH2 2.83Å
509	A	37.6	Very low	50.9	Low	19 Å²	19	71.7 Å²	71.7	16%	0.157	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-15.4	159.9	0	0	0	0	0	113.2	L505 L566	L505-A509 VanDerWaalsContact O-CB 3.23Å; L505-A509 WeakPolarHBondContact O-CB 3.47Å; L505-A509 PolarHBondContact O-N 3.17Å; L505-A509 VanDerWaalsContact O-N 3.08Å; A509-L566 VanDerWaalsContact C-CD2 3.43Å; A509-L566 VanDerWaalsContact CA-CD2 3.49Å; A509-L566 HydrophobicContact CB-CD2 3.67Å; A509-L566 HydrophobicContact CB-CG 4.34Å; A509-L566 WeakPolarHBondContact O-CD1 3.42Å; A509-L566 WeakPolarHBondContact O-CD2 3.42Å; A509-L566 WeakPolarHBondContact O-CG 3.5Å
510	W	40	Very low	52.2	Low	161 Å²	161	72.2 Å²	72.2	61%	0.61	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.6	11.2	179.4	-60.6	80.4	0	0	0	113.3	Y508 R527	Y508-W510 PolarHBondContact O-N 2.96Å; W510-R527 WeakPolarHBondContact O-CD 3.36Å; W510-R527 PolarHBondContact O-NH1 3.09Å
511	S	38	Very low	53.8	Low	19 Å²	19	70.8 Å²	70.8	13%	0.133	37%	0.372	C	S	.	.	S	Bend	trans	-98.4	-3.7	-170.5	66.2	0	0	0	0	115.3	Y508 R527	Y508-S511 WeakPolarHBondContact CA-OG 3.49Å; Y508-S511 WeakPolarHBondContact CB-OG 3.43Å; Y508-S511 WeakPolarHBondContact CD1-OG 3.35Å; Y508-S511 PolarHBondContact O-N 3.44Å; Y508-S511 PolarHBondContact O-OG 3.26Å; S511-R527 VanDerWaalsContact C-CD 3.48Å; S511-R527 VanDerWaalsContact O-CB 3.28Å; S511-R527 WeakPolarHBondContact O-CB 3.36Å; S511-R527 WeakPolarHBondContact O-CG 3.22Å; S511-R527 PolarHBondContact O-N 3.37Å
512	G	49.8	Very low	55.4	Low	20 Å²	20	67.4 Å²	67.4	21%	0.206	35%	0.35	C	S	.	.			trans	70.8	-136.4	-176.8	0	0	0	0	0	112.8	S526	G512-S526 VanDerWaalsContact CA-OG 3.26Å; G512-S526 WeakPolarHBondContact CA-OG 3.4Å
513	Y	57.8	Low	57	Low	68 Å²	68	59.1 Å²	59.1	27%	0.267	32%	0.32	S	S	.	.			trans	-108.8	158.4	-178.2	66.5	-96.6	0	0	0	111.8	P492 K493 I515 Y524 R525 S526 P536	P492-Y513 HydrophobicContact CB-CD2 3.58Å; P492-Y513 HydrophobicContact CB-CE2 4.22Å; P492-Y513 HydrophobicContact CB-CG 3.95Å; P492-Y513 HydrophobicContact CG-CD2 4.26Å; P492-Y513 HydrophobicContact CG-CE2 4.42Å; K493-Y513 CarbonylContact O-C 3.5Å; K493-Y513 WeakPolarHBondContact O-CA 3.48Å; Y513-I515 HydrophobicContact CD2-CG1 4.04Å; Y513-I515 HydrophobicContact CE2-CD1 4.01Å; Y513-I515 HydrophobicContact CE2-CG1 3.94Å; Y513-Y524 HydrophobicContact CD2-CD1 4.15Å; Y513-Y524 HydrophobicContact CD2-CE1 4.34Å; Y513-Y524 AromaticContact CE2-CD1 3.5Å; Y513-Y524 HydrophobicContact CE2-CD1 3.5Å; Y513-Y524 AromaticContact CE2-CE1 3.48Å; Y513-Y524 HydrophobicContact CE2-CE1 3.48Å; Y513-Y524 VanDerWaalsContact CE2-CE1 3.48Å; Y513-Y524 AromaticContact CZ-CE1 3.67Å; Y513-R525 CarbonylContact O-C 3.21Å; Y513-S526 PolarHBondContact N-OG 3.25Å; Y513-S526 PolarHBondContact O-N 2.6Å; Y513-P536 HydrophobicContact CE2-CG 4.32Å; Y513-P536 VanDerWaalsContact OH-CD 3.26Å; Y513-P536 WeakPolarHBondContact OH-CD 3.47Å; Y513-P536 WeakPolarHBondContact OH-CG 3.2Å
514	V	64.9	Low	58.3	Low	1 Å²	1	54.3 Å²	54.3	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.9	179.1	-179.3	0	0	0	0	108.3	P492 K493 Y508 V522 Y524 R525	P492-V514 CarbonylContact C-O 3.59Å; P492-V514 WeakPolarHBondContact CA-O 3.46Å; K493-V514 PolarHBondContact N-O 3.16Å; K493-V514 PolarHBondContact O-N 2.84Å; Y508-V514 HydrophobicContact CD1-CG2 4.23Å; Y508-V514 HydrophobicContact CE1-CG2 3.85Å; V514-V522 HydrophobicContact CG1-CB 4.28Å; V514-V522 HydrophobicContact CG1-CG1 3.43Å; V514-V522 VanDerWaalsContact CG1-CG1 3.43Å; V514-V522 HydrophobicContact CG1-CG2 3.93Å; V514-Y524 CarbonylContact C-O 3.53Å; V514-Y524 VanDerWaalsContact CA-O 3.26Å; V514-Y524 WeakPolarHBondContact CA-O 3.43Å; V514-Y524 WeakPolarHBondContact CG1-O 3.38Å; V514-R525 HydrophobicContact CG1-CG 4.42Å; V514-R525 HydrophobicContact CG2-CG 4.29Å
515	I	71.8	Confident	59.5	Low	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.4	169.1	-52.2	177.6	0	0	0	107.5	V490 P492 Y513 I523 Y524 P536 V541	V490-I515 HydrophobicContact CB-CG2 3.55Å; V490-I515 HydrophobicContact CG1-CG2 4.44Å; V490-I515 HydrophobicContact CG2-CG2 3.53Å; P492-I515 HydrophobicContact CB-CG1 4.35Å; P492-I515 HydrophobicContact CG-CD1 4.48Å; P492-I515 HydrophobicContact CG-CG1 4.27Å; Y513-I515 HydrophobicContact CD2-CG1 4.04Å; Y513-I515 HydrophobicContact CE2-CD1 4.01Å; Y513-I515 HydrophobicContact CE2-CG1 3.94Å; I515-I523 HydrophobicContact CB-CD1 4.46Å; I515-I523 HydrophobicContact CB-CG1 4.03Å; I515-I523 HydrophobicContact CG2-CD1 3.8Å; I515-I523 HydrophobicContact CG2-CG1 3.84Å; I515-I523 VanDerWaalsContact O-CG1 3.26Å; I515-I523 WeakPolarHBondContact O-CG1 3.48Å; I515-I523 PolarHBondContact O-N 2.83Å; I515-Y524 HydrophobicContact CD1-CD1 4.11Å; I515-Y524 HydrophobicContact CD1-CG 4.34Å; I515-Y524 HydrophobicContact CG1-CD1 4.16Å; I515-Y524 HydrophobicContact CG1-CG 4.48Å; I515-Y524 PolarHBondContact N-O 2.75Å; I515-Y524 PolarHBondContact O-N 2.84Å; I515-Y524 VanDerWaalsContact O-N 3.08Å; I515-P536 HydrophobicContact CD1-CB 3.61Å; I515-P536 HydrophobicContact CD1-CG 4.06Å; I515-V541 HydrophobicContact CD1-CG1 3.84Å; I515-V541 HydrophobicContact CD1-CG2 4.43Å; I515-V541 HydrophobicContact CG2-CG1 4.06Å
516	E	74.3	Confident	60.2	Low	20 Å²	20	52.8 Å²	52.8	9%	0.093	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.6	-177.8	-176.1	-177.4	-141.6	0	0	109.7	K493 S497 G521 V522	K493-E516 IonicContact NZ-OE2 2.85Å; K493-E516 PolarHBondContact NZ-OE2 3.11Å; S497-E516 WeakPolarHBondContact CB-OE1 3.18Å; S497-E516 WeakPolarHBondContact CB-OE2 3.44Å; S497-E516 PolarHBondContact N-OE1 3.46Å; S497-E516 PolarHBondContact N-OE2 2.79Å; S497-E516 PolarHBondContact OG-OE1 3.22Å; S497-E516 PolarHBondContact OG-OE2 3.4Å; E516-G521 CarbonylContact C-O 3.59Å; E516-G521 WeakPolarHBondContact CA-O 3.41Å; E516-V522 HydrophobicContact CG-CG2 4.33Å
517	C	77.4	Confident	60.9	Low	1 Å²	1	56.4 Å²	56.4	1%	0.007	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.2	172.3	-179.3	0	0	0	0	109.4	C478 V490 N519 C520 G521 I523	C478-C517 HydrophobicContact CB-CB 4.18Å; V490-C517 HydrophobicContact CG1-CB 3.88Å; C517-N519 PolarHBondContact O-N 2.77Å; C517-N519 VanDerWaalsContact O-N 3.08Å; C517-C520 HydrophobicContact CB-CB 3.88Å; C517-C520 PolarHBondContact O-N 3.16Å; C517-G521 PolarHBondContact N-O 3.42Å; C517-G521 WeakPolarHBondContact O-CA 3.26Å; C517-G521 PolarHBondContact O-N 3.48Å; C517-I523 HydrophobicContact CB-CD1 4.27Å; C517-I523 HydrophobicContact CB-CG2 3.84Å
518	P	75.3	Confident	61.3	Low	108 Å²	108	52.5 Å²	52.5	70%	0.701	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.1	176	-27.4	34.1	0	0	0	114.5	V488	V488-P518 HydrophobicContact CG1-CG 4.47Å
519	N	82.1	Confident	61.3	Low	106 Å²	106	58.6 Å²	58.6	57%	0.567	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-29.4	-178.8	-66	-9.2	0	0	0	113.3	C517	C517-N519 PolarHBondContact O-N 2.77Å; C517-N519 VanDerWaalsContact O-N 3.08Å
520	C	77.3	Confident	61.1	Low	62 Å²	62	68 Å²	68	42%	0.419	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-2.8	-172.7	-53.3	0	0	0	0	113.5	C481 C517 I523	C481-C520 PolarHBondContact SG-SG 3.28Å; C517-C520 HydrophobicContact CB-CB 3.88Å; C517-C520 PolarHBondContact O-N 3.16Å; C520-I523 HydrophobicContact CB-CG2 3.62Å
521	G	76.1	Confident	60.8	Low	31 Å²	31	68.3 Å²	68.3	32%	0.32	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	70.5	-149.9	-172.4	0	0	0	0	0	112.3	E516 C517 I523	E516-G521 CarbonylContact C-O 3.59Å; E516-G521 WeakPolarHBondContact CA-O 3.41Å; C517-G521 PolarHBondContact N-O 3.42Å; C517-G521 WeakPolarHBondContact O-CA 3.26Å; C517-G521 PolarHBondContact O-N 3.48Å; G521-I523 PolarHBondContact O-N 2.97Å; G521-I523 VanDerWaalsContact O-N 3.13Å
522	V	74.1	Confident	60.9	Low	50 Å²	50	71 Å²	71	30%	0.303	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	109.4	178.2	175.3	0	0	0	0	110	A496 V514 E516 R525	A496-V522 HydrophobicContact CB-CG2 3.68Å; V514-V522 HydrophobicContact CG1-CB 4.28Å; V514-V522 HydrophobicContact CG1-CG1 3.43Å; V514-V522 VanDerWaalsContact CG1-CG1 3.43Å; V514-V522 HydrophobicContact CG1-CG2 3.93Å; E516-V522 HydrophobicContact CG-CG2 4.33Å; V522-R525 HydrophobicContact CG1-CG 3.82Å
523	I	71.1	Confident	60.7	Low	33 Å²	33	71.5 Å²	71.5	17%	0.169	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-21.6	-178.5	60.2	169.9	0	0	0	112.6	C478 V490 I515 C517 C520 G521 V540 V541	C478-I523 HydrophobicContact CB-CD1 4.14Å; V490-I523 HydrophobicContact CG1-CD1 4.22Å; V490-I523 HydrophobicContact CG2-CD1 4.21Å; I515-I523 HydrophobicContact CB-CD1 4.46Å; I515-I523 HydrophobicContact CB-CG1 4.03Å; I515-I523 HydrophobicContact CG2-CD1 3.8Å; I515-I523 HydrophobicContact CG2-CG1 3.84Å; I515-I523 VanDerWaalsContact O-CG1 3.26Å; I515-I523 WeakPolarHBondContact O-CG1 3.48Å; I515-I523 PolarHBondContact O-N 2.83Å; C517-I523 HydrophobicContact CB-CD1 4.27Å; C517-I523 HydrophobicContact CB-CG2 3.84Å; C520-I523 HydrophobicContact CB-CG2 3.62Å; G521-I523 PolarHBondContact O-N 2.97Å; G521-I523 VanDerWaalsContact O-N 3.13Å; I523-V540 HydrophobicContact CB-CB 4.46Å; I523-V540 WeakPolarHBondContact O-CG1 3.48Å; I523-V540 WeakPolarHBondContact O-CG2 3.11Å; I523-V541 HydrophobicContact CD1-CG1 3.82Å
524	Y	66.5	Low	60.5	Low	19 Å²	19	75.3 Å²	75.3	8%	0.075	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145.8	177.9	-167.9	-110.5	0	0	0	111.4	Y513 V514 I515 S526 N533 Q534 P536 V540	Y513-Y524 HydrophobicContact CD2-CD1 4.15Å; Y513-Y524 HydrophobicContact CD2-CE1 4.34Å; Y513-Y524 AromaticContact CE2-CD1 3.5Å; Y513-Y524 HydrophobicContact CE2-CD1 3.5Å; Y513-Y524 AromaticContact CE2-CE1 3.48Å; Y513-Y524 HydrophobicContact CE2-CE1 3.48Å; Y513-Y524 VanDerWaalsContact CE2-CE1 3.48Å; Y513-Y524 AromaticContact CZ-CE1 3.67Å; V514-Y524 CarbonylContact C-O 3.53Å; V514-Y524 VanDerWaalsContact CA-O 3.26Å; V514-Y524 WeakPolarHBondContact CA-O 3.43Å; V514-Y524 WeakPolarHBondContact CG1-O 3.38Å; I515-Y524 HydrophobicContact CD1-CD1 4.11Å; I515-Y524 HydrophobicContact CD1-CG 4.34Å; I515-Y524 HydrophobicContact CG1-CD1 4.16Å; I515-Y524 HydrophobicContact CG1-CG 4.48Å; I515-Y524 PolarHBondContact N-O 2.75Å; I515-Y524 PolarHBondContact O-N 2.84Å; I515-Y524 VanDerWaalsContact O-N 3.08Å; Y524-S526 VanDerWaalsContact CE1-CA 3.48Å; Y524-N533 HydrophobicContact CE2-CB 4.25Å; Y524-N533 WeakPolarHBondContact OH-CB 3.28Å; Y524-Q534 VanDerWaalsContact CE2-O 3.23Å; Y524-Q534 WeakPolarHBondContact CE2-O 3.13Å; Y524-Q534 PolarHBondContact OH-O 3.24Å; Y524-P536 HydrophobicContact CD1-CB 3.78Å; Y524-P536 HydrophobicContact CD1-CG 4.27Å; Y524-P536 HydrophobicContact CD2-CB 3.85Å; Y524-P536 HydrophobicContact CE1-CB 3.86Å; Y524-P536 HydrophobicContact CE1-CG 3.99Å; Y524-P536 HydrophobicContact CE2-CB 3.98Å; Y524-P536 HydrophobicContact CG-CB 3.76Å; Y524-V540 HydrophobicContact CD2-CG2 3.8Å; Y524-V540 HydrophobicContact CG-CG2 4.06Å
525	R	63.9	Low	60.3	Low	70 Å²	70	79 Å²	79	26%	0.264	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.5	164.7	-64.3	172.5	175.5	-84.5	-3.3	105	Y508 Y513 V514 V522 R527 Q528 N533	Y508-R525 VanDerWaalsContact CZ-NH1 3.35Å; Y508-R525 PolarHBondContact OH-NH1 3.35Å; Y508-R525 PolarHBondContact OH-NH2 2.83Å; Y513-R525 CarbonylContact O-C 3.21Å; V514-R525 HydrophobicContact CG1-CG 4.42Å; V514-R525 HydrophobicContact CG2-CG 4.29Å; V522-R525 HydrophobicContact CG1-CG 3.82Å; R525-R527 VanDerWaalsContact C-N 3.32Å; R525-Q528 HydrophobicContact CB-CB 4.22Å; R525-N533 PolarHBondContact O-ND2 3.24Å
526	S	52.1	Low	60.1	Low	22 Å²	22	79.1 Å²	79.1	15%	0.154	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-11.5	-176.9	75.9	0	0	0	0	113.7	G512 Y513 Y524	G512-S526 VanDerWaalsContact CA-OG 3.26Å; G512-S526 WeakPolarHBondContact CA-OG 3.4Å; Y513-S526 PolarHBondContact N-OG 3.25Å; Y513-S526 PolarHBondContact O-N 2.6Å; Y524-S526 VanDerWaalsContact CE1-CA 3.48Å
527	R	52.4	Low	59.8	Low	154 Å²	154	80.4 Å²	80.4	58%	0.581	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	61.8	175.8	-52.4	179.7	175.5	-147	-3	111.6	W510 S511 R525	W510-R527 WeakPolarHBondContact O-CD 3.36Å; W510-R527 PolarHBondContact O-NH1 3.09Å; S511-R527 VanDerWaalsContact C-CD 3.48Å; S511-R527 VanDerWaalsContact O-CB 3.28Å; S511-R527 WeakPolarHBondContact O-CB 3.36Å; S511-R527 WeakPolarHBondContact O-CG 3.22Å; S511-R527 PolarHBondContact O-N 3.37Å; R525-R527 VanDerWaalsContact C-N 3.32Å
528	Q	43.5	Very low	59.5	Low	111 Å²	111	86.2 Å²	86.2	52%	0.519	44%	0.437	S	S	.	.	S	Bend	trans	-79.6	-28.2	171.8	-166.8	171.5	-9.2	0	0	111.7	R525 N533	R525-Q528 HydrophobicContact CB-CB 4.22Å; Q528-N533 WeakPolarHBondContact CB-ND2 3.19Å; Q528-N533 PolarHBondContact N-ND2 3.45Å; Q528-N533 PolarHBondContact N-OD1 3.27Å
529	Y	40.7	Very low	59.5	Low	156 Å²	156	83 Å²	83	61%	0.612	42%	0.415	S	S	*	.	S	Bend	trans	-125.4	152.8	179	-54.2	-70.2	0	0	0	111.3	Y531 N533	Y529-Y531 VanDerWaalsContact C-N 3.28Å; Y529-Y531 PolarHBondContact O-N 2.85Å; Y529-N533 VanDerWaalsContact CD2-OD1 3.26Å; Y529-N533 WeakPolarHBondContact CD2-OD1 3.43Å; Y529-N533 PolarHBondContact N-OD1 2.82Å; Y529-N533 VanDerWaalsContact N-OD1 3.16Å
530	W	34.8	Very low	59.3	Low	216 Å²	216	80 Å²	80	82%	0.818	40%	0.4	S	S	*	.	S	Bend	trans	-67.3	-26.4	-178	-94.1	80.4	0	0	0	113.7	I596	W530-I596 HydrophobicContact CZ2-CB 4.33Å; W530-I596 WeakPolarHBondContact CZ2-O 3.45Å
531	Y	33.3	Very low	59.4	Low	168 Å²	168	77 Å²	77	66%	0.659	38%	0.38	S	S	*	.	S	Bend	trans	-97.2	125.5	166.6	-55.7	-87.4	0	0	0	106.4	Y529 G648	Y529-Y531 VanDerWaalsContact C-N 3.28Å; Y529-Y531 PolarHBondContact O-N 2.85Å; Y531-G648 PolarHBondContact OH-O 3.48Å
532	G	40.6	Very low	59.7	Low	75 Å²	75	80.3 Å²	80.3	77%	0.773	38%	0.383	S	S	*	.			trans	-42.7	140.2	-166.4	0	0	0	0	0	114.7
533	N	45.4	Very low	59.7	Low	30 Å²	30	80.1 Å²	80.1	16%	0.16	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.5	145.9	176.4	-72.1	2.7	0	0	0	110.7	Y524 R525 Q528 Y529	Y524-N533 HydrophobicContact CE2-CB 4.25Å; Y524-N533 WeakPolarHBondContact OH-CB 3.28Å; R525-N533 PolarHBondContact O-ND2 3.24Å; Q528-N533 WeakPolarHBondContact CB-ND2 3.19Å; Q528-N533 PolarHBondContact N-ND2 3.45Å; Q528-N533 PolarHBondContact N-OD1 3.27Å; Y529-N533 VanDerWaalsContact CD2-OD1 3.26Å; Y529-N533 WeakPolarHBondContact CD2-OD1 3.43Å; Y529-N533 PolarHBondContact N-OD1 2.82Å; Y529-N533 VanDerWaalsContact N-OD1 3.16Å
534	Q	53.3	Low	59.9	Low	148 Å²	148	83.2 Å²	83.2	69%	0.692	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-57.7	142.7	169.8	-73.4	-175.1	-17.4	0	0	109.8	Y524 T539	Y524-Q534 VanDerWaalsContact CE2-O 3.23Å; Y524-Q534 WeakPolarHBondContact CE2-O 3.13Å; Y524-Q534 PolarHBondContact OH-O 3.24Å; Q534-T539 HydrophobicContact CB-CG2 3.61Å
535	D	60.8	Low	60.4	Low	79 Å²	79	85.1 Å²	85.1	42%	0.422	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-52.2	136.8	-176	-169.1	-77.2	0	0	0	110.7	V537 D538 T539	D535-V537 PolarHBondContact O-N 3.09Å; D535-V537 VanDerWaalsContact O-N 3.12Å; D535-V537 WeakPolarHBondContact OD1-CB 2.91Å; D535-V537 WeakPolarHBondContact OD1-CG2 3.39Å; D535-V537 PolarHBondContact OD1-N 3.06Å; D535-D538 PolarHBondContact O-N 3.48Å; D535-T539 PolarHBondContact O-N 3.43Å; D535-T539 PolarHBondContact O-OG1 2.92Å
536	P	66.7	Low	61.1	Low	2 Å²	2	85.6 Å²	85.6	1%	0.013	41%	0.412	C	S	.	.	H	α-helix	trans	-58.3	-29	-178.4	27.5	-38.5	0	0	0	112.1	Y513 I515 Y524 D538 T539 V540 V541	Y513-P536 HydrophobicContact CE2-CG 4.32Å; Y513-P536 VanDerWaalsContact OH-CD 3.26Å; Y513-P536 WeakPolarHBondContact OH-CD 3.47Å; Y513-P536 WeakPolarHBondContact OH-CG 3.2Å; I515-P536 HydrophobicContact CD1-CB 3.61Å; I515-P536 HydrophobicContact CD1-CG 4.06Å; Y524-P536 HydrophobicContact CD1-CB 3.78Å; Y524-P536 HydrophobicContact CD1-CG 4.27Å; Y524-P536 HydrophobicContact CD2-CB 3.85Å; Y524-P536 HydrophobicContact CE1-CB 3.86Å; Y524-P536 HydrophobicContact CE1-CG 3.99Å; Y524-P536 HydrophobicContact CE2-CB 3.98Å; Y524-P536 HydrophobicContact CG-CB 3.76Å; P536-D538 VanDerWaalsContact C-N 3.3Å; P536-D538 PolarHBondContact O-N 2.96Å; P536-T539 WeakPolarHBondContact CA-OG1 3.48Å; P536-T539 PolarHBondContact O-N 3.19Å; P536-T539 PolarHBondContact O-OG1 3.31Å; P536-V540 HydrophobicContact CB-CG2 4.26Å; P536-V540 PolarHBondContact O-N 3.22Å; P536-V541 HydrophobicContact CB-CG2 3.93Å; P536-V541 HydrophobicContact CG-CG2 4.48Å; P536-V541 WeakPolarHBondContact O-CG2 3.47Å; P536-V541 PolarHBondContact O-N 2.7Å
537	V	69.4	Low	62.4	Low	47 Å²	47	85.8 Å²	85.8	29%	0.285	41%	0.41	S	S	.	.	H	α-helix	trans	-67.2	-32.6	179.5	-177.5	0	0	0	0	111.9	F476 D535 T539 V541 T543	F476-V537 HydrophobicContact CD1-CG2 4.27Å; F476-V537 HydrophobicContact CE1-CG2 3.71Å; D535-V537 PolarHBondContact O-N 3.09Å; D535-V537 VanDerWaalsContact O-N 3.12Å; D535-V537 WeakPolarHBondContact OD1-CB 2.91Å; D535-V537 WeakPolarHBondContact OD1-CG2 3.39Å; D535-V537 PolarHBondContact OD1-N 3.06Å; V537-T539 VanDerWaalsContact C-N 3.3Å; V537-V541 CarbonylContact C-O 3.53Å; V537-V541 WeakPolarHBondContact CA-O 3.46Å; V537-V541 HydrophobicContact CG2-CG2 4.21Å; V537-V541 VanDerWaalsContact O-O 3.05Å; V537-T543 VanDerWaalsContact CG1-OG1 3.28Å; V537-T543 WeakPolarHBondContact CG1-OG1 3.31Å; V537-T543 WeakPolarHBondContact CG2-OG1 3.29Å
538	D	69.6	Low	63.7	Low	124 Å²	124	78.8 Å²	78.8	66%	0.663	39%	0.385	S	S	*	.	H	α-helix	trans	-81.2	-15.9	178.7	-64.9	-36.7	0	0	0	112.2	D535 P536	D535-D538 PolarHBondContact O-N 3.48Å; P536-D538 VanDerWaalsContact C-N 3.3Å; P536-D538 PolarHBondContact O-N 2.96Å
539	T	74.9	Confident	65.5	Low	41 Å²	41	74.6 Å²	74.6	25%	0.252	36%	0.364	S	S	.	.	H	α-helix	trans	-115.7	-63.7	-169.1	54.1	0	0	0	0	113	Q534 D535 P536 V537	Q534-T539 HydrophobicContact CB-CG2 3.61Å; D535-T539 PolarHBondContact O-N 3.43Å; D535-T539 PolarHBondContact O-OG1 2.92Å; P536-T539 WeakPolarHBondContact CA-OG1 3.48Å; P536-T539 PolarHBondContact O-N 3.19Å; P536-T539 PolarHBondContact O-OG1 3.31Å; V537-T539 VanDerWaalsContact C-N 3.3Å
540	V	79.1	Confident	67.1	Low	41 Å²	41	70.1 Å²	70.1	25%	0.248	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-13.5	-159.2	-61.2	0	0	0	0	115.1	K479 I523 Y524 P536	K479-V540 VanDerWaalsContact CB-O 3.3Å; K479-V540 WeakPolarHBondContact CB-O 3.44Å; K479-V540 PolarHBondContact N-O 3.37Å; I523-V540 HydrophobicContact CB-CB 4.46Å; I523-V540 WeakPolarHBondContact O-CG1 3.48Å; I523-V540 WeakPolarHBondContact O-CG2 3.11Å; Y524-V540 HydrophobicContact CD2-CG2 3.8Å; Y524-V540 HydrophobicContact CG-CG2 4.06Å; P536-V540 HydrophobicContact CB-CG2 4.26Å; P536-V540 PolarHBondContact O-N 3.22Å
541	V	79.8	Confident	68.5	Low	1 Å²	1	63.8 Å²	63.8	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.7	174.5	-54.2	0	0	0	0	112.1	F476 T477 V490 I515 I523 P536 V537	F476-V541 HydrophobicContact CB-CB 4Å; F476-V541 HydrophobicContact CB-CG1 4.27Å; F476-V541 HydrophobicContact CB-CG2 4.01Å; F476-V541 HydrophobicContact CD1-CB 4.36Å; F476-V541 HydrophobicContact CD1-CG2 3.5Å; F476-V541 HydrophobicContact CE1-CG2 4.23Å; F476-V541 HydrophobicContact CG-CG2 3.97Å; T477-V541 CarbonylContact O-C 3.35Å; T477-V541 WeakPolarHBondContact O-CA 3.41Å; T477-V541 WeakPolarHBondContact O-CB 3.13Å; V490-V541 HydrophobicContact CG2-CB 4.44Å; V490-V541 HydrophobicContact CG2-CG1 3.66Å; I515-V541 HydrophobicContact CD1-CG1 3.84Å; I515-V541 HydrophobicContact CD1-CG2 4.43Å; I515-V541 HydrophobicContact CG2-CG1 4.06Å; I523-V541 HydrophobicContact CD1-CG1 3.82Å; P536-V541 HydrophobicContact CB-CG2 3.93Å; P536-V541 HydrophobicContact CG-CG2 4.48Å; P536-V541 WeakPolarHBondContact O-CG2 3.47Å; P536-V541 PolarHBondContact O-N 2.7Å; V537-V541 CarbonylContact C-O 3.53Å; V537-V541 WeakPolarHBondContact CA-O 3.46Å; V537-V541 HydrophobicContact CG2-CG2 4.21Å; V537-V541 VanDerWaalsContact O-O 3.05Å
542	R	80.8	Confident	69.6	Low	100 Å²	100	58.4 Å²	58.4	38%	0.377	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.2	164.9	-65.7	175.8	66.9	-137.9	1.8	108.5	F476 T477 K479 Y482	F476-R542 CarbonylContact C-O 3.48Å; F476-R542 WeakPolarHBondContact CA-O 3.48Å; T477-R542 PolarHBondContact N-O 3.08Å; T477-R542 PolarHBondContact O-N 2.89Å; T477-R542 PolarHBondContact OG1-O 3.5Å; K479-R542 HydrophobicContact CB-CG 4.45Å; K479-R542 HydrophobicContact CG-CG 4.33Å; Y482-R542 VanDerWaalsContact CD1-NH1 3.31Å; Y482-R542 VanDerWaalsContact CG-NH1 3.35Å
543	T	75.9	Confident	70	Confident	46 Å²	46	63.2 Å²	63.2	28%	0.282	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.8	177.7	-60.9	0	0	0	0	110.3	R474 I475 V537	R474-T543 HydrophobicContact CG-CG2 3.3Å; I475-T543 WeakPolarHBondContact O-CA 3.37Å; V537-T543 VanDerWaalsContact CG1-OG1 3.28Å; V537-T543 WeakPolarHBondContact CG1-OG1 3.31Å; V537-T543 WeakPolarHBondContact CG2-OG1 3.29Å
544	E	74.4	Confident	70	Confident	97 Å²	97	63.7 Å²	63.7	45%	0.453	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.6	170	-174.2	175.4	-167.3	0	0	110.3	I475	I475-E544 HydrophobicContact CD1-CB 4.12Å; I475-E544 HydrophobicContact CG1-CB 3.84Å; I475-E544 VanDerWaalsContact CG1-O 3.31Å; I475-E544 WeakPolarHBondContact CG1-O 3.11Å; I475-E544 PolarHBondContact N-O 3.21Å; I475-E544 PolarHBondContact O-N 2.95Å
545	I	76.3	Confident	69.5	Low	59 Å²	59	58.9 Å²	58.9	30%	0.303	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.5	178.6	-56.3	170.8	0	0	0	107.7	C465 N473	C465-I545 HydrophobicContact CB-CG2 3.97Å; N473-I545 VanDerWaalsContact ND2-CG2 3.31Å; N473-I545 WeakPolarHBondContact ND2-CG2 3.45Å; N473-I545 WeakPolarHBondContact O-CA 3.48Å
546	Q	79.4	Confident	68.5	Low	81 Å²	81	62.2 Å²	62.2	38%	0.379	36%	0.357	S	S	.	.			trans	-99	156.7	-178.1	-75.8	-165	-6	0	0	112.7	C465 N473 I475 F555	C465-Q546 WeakPolarHBondContact CB-O 3.38Å; C465-Q546 PolarHBondContact SG-O 3.41Å; C465-Q546 VanDerWaalsContact SG-O 3.36Å; N473-Q546 WeakPolarHBondContact CB-O 3.37Å; N473-Q546 PolarHBondContact ND2-O 3.26Å; N473-Q546 PolarHBondContact O-N 3.14Å; I475-Q546 HydrophobicContact CD1-CG 3.87Å; I475-Q546 HydrophobicContact CG1-CG 4.03Å; Q546-F555 HydrophobicContact CB-CE1 4.19Å; Q546-F555 HydrophobicContact CB-CE2 4.4Å; Q546-F555 HydrophobicContact CB-CZ 3.53Å; Q546-F555 HydrophobicContact CG-CZ 4.48Å
547	H	79.9	Confident	67.3	Low	26 Å²	26	70.3 Å²	70.3	12%	0.12	39%	0.392	C	S	.	.			trans	-74	141.6	173.5	-72.6	-81.6	0	0	0	111.1	C439 C442 Q463 C465 W549 F555	C439-H547 HydrophobicContact CB-CB 4.18Å; C439-H547 WeakPolarHBondContact CB-ND1 3.46Å; C439-H547 PolarHBondContact SG-ND1 3.31Å; C442-H547 PolarHBondContact SG-CE1 2.61Å; C442-H547 PolarHBondContact SG-ND1 2.79Å; Q463-H547 PolarHBondContact O-CE1 3.23Å; Q463-H547 PolarHBondContact O-NE2 2.73Å; C465-H547 HydrophobicContact CB-CB 4.43Å; C465-H547 PolarHBondContact N-NE2 2.9Å; C465-H547 PolarHBondContact SG-ND1 3.5Å; C465-H547 VanDerWaalsContact SG-ND1 3.44Å; H547-W549 HydrophobicContact CB-CD2 4.46Å; H547-W549 HydrophobicContact CB-CZ2 3.68Å; H547-F555 WeakPolarHBondContact O-CE2 3.28Å
548	V	78.7	Confident	66	Low	7 Å²	7	72 Å²	72	4%	0.042	40%	0.399	C	S	.	.			trans	-106.1	113.4	-179.5	-174.6	0	0	0	0	108.1	C439 L440 Y471 N473 F555	C439-V548 CarbonylContact C-O 3.46Å; C439-V548 VanDerWaalsContact CA-O 3.22Å; C439-V548 WeakPolarHBondContact CA-O 3.35Å; C439-V548 PolarHBondContact SG-N 3.49Å; L440-V548 HydrophobicContact CB-CB 4.29Å; L440-V548 HydrophobicContact CB-CG1 4.17Å; L440-V548 HydrophobicContact CD1-CG1 4.18Å; L440-V548 PolarHBondContact N-O 3.04Å; Y471-V548 HydrophobicContact CD1-CG1 4.09Å; Y471-V548 HydrophobicContact CG-CG1 4.16Å; Y471-V548 HydrophobicContact CG-CG2 4.29Å; N473-V548 HydrophobicContact CB-CG2 3.35Å; V548-F555 HydrophobicContact CB-CD2 4.4Å; V548-F555 HydrophobicContact CG1-CD2 4.25Å; V548-F555 HydrophobicContact CG2-CD2 4.06Å; V548-F555 HydrophobicContact CG2-CG 4.36Å
549	W	82.1	Confident	64.7	Low	23 Å²	23	69.3 Å²	69.3	9%	0.087	39%	0.385	C	S	.	.			trans	-105.3	145	-173.9	-58.3	106.5	0	0	0	112.1	S437 C439 C446 H459 A461 H547 G551 S552	S437-W549 WeakPolarHBondContact O-CZ3 3.37Å; C439-W549 HydrophobicContact CB-CE3 4.3Å; C439-W549 HydrophobicContact CB-CH2 4.22Å; C439-W549 HydrophobicContact CB-CZ3 4.06Å; C439-W549 VanDerWaalsContact N-CZ3 3.33Å; C446-W549 HydrophobicContact CB-CH2 4.1Å; C446-W549 HydrophobicContact CB-CZ3 3.99Å; H459-W549 HydrophobicContact CB-CB 4.25Å; H459-W549 HydrophobicContact CB-CD2 3.3Å; H459-W549 HydrophobicContact CB-CE3 3.86Å; H459-W549 HydrophobicContact CB-CG 3.47Å; H459-W549 VanDerWaalsContact CB-CG 3.47Å; H459-W549 HydrophobicContact CB-CH2 4.38Å; H459-W549 HydrophobicContact CB-CZ2 3.91Å; H459-W549 HydrophobicContact CB-CZ3 4.35Å; H459-W549 AromaticContact CD2-CG 3.82Å; H459-W549 AromaticContact CG-CD2 3.89Å; H459-W549 AromaticContact CG-CG 3.91Å; H459-W549 PolarHBondContact O-NE1 2.85Å; A461-W549 HydrophobicContact CB-CH2 3.95Å; A461-W549 HydrophobicContact CB-CZ2 4.03Å; H547-W549 HydrophobicContact CB-CD2 4.46Å; H547-W549 HydrophobicContact CB-CZ2 3.68Å; W549-G551 PolarHBondContact O-N 3.31Å; W549-S552 WeakPolarHBondContact O-CB 3.42Å; W549-S552 PolarHBondContact O-N 3.43Å; W549-S552 PolarHBondContact O-OG 3.32Å
550	P	73.9	Confident	63.2	Low	61 Å²	61	73.1 Å²	73.1	40%	0.396	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	136.5	174.6	-21.8	32.1	0	0	0	111.4	C438 L440 S552	C438-P550 WeakPolarHBondContact O-CD 2.93Å; L440-P550 HydrophobicContact CD2-CG 4.08Å; L440-P550 HydrophobicContact CG-CG 4.33Å; P550-S552 PolarHBondContact O-N 3.3Å
551	G	63.8	Low	61.5	Low	84 Å²	84	72.1 Å²	72.1	87%	0.866	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	0.9	178.9	0	0	0	0	0	115.5	W549 D553	W549-G551 PolarHBondContact O-N 3.31Å; G551-D553 PolarHBondContact O-N 3.1Å
552	S	58	Low	59.6	Low	55 Å²	55	73.9 Å²	73.9	39%	0.385	41%	0.412	S	S	.	.			trans	-71.9	119	166.9	62.2	0	0	0	0	109.6	W549 P550 G554	W549-S552 WeakPolarHBondContact O-CB 3.42Å; W549-S552 PolarHBondContact O-N 3.43Å; W549-S552 PolarHBondContact O-OG 3.32Å; P550-S552 PolarHBondContact O-N 3.3Å; S552-G554 PolarHBondContact O-N 3.25Å
553	D	48.2	Very low	57.5	Low	176 Å²	176	71.5 Å²	71.5	94%	0.941	41%	0.413	S	S	*	.	S	Bend	trans	-67.5	17.7	175.5	-90.3	-20	0	0	0	113.7	G551	G551-D553 PolarHBondContact O-N 3.1Å
554	G	45.6	Very low	55.9	Low	40 Å²	40	70.3 Å²	70.3	41%	0.412	40%	0.404	S	S	.	.			trans	-144.2	64	-157.3	0	0	0	0	0	114.6	S552	S552-G554 PolarHBondContact O-N 3.25Å
555	F	42.2	Very low	54.3	Low	46 Å²	46	68.2 Å²	68.2	20%	0.202	39%	0.393	C	S	.	.	S	Bend	trans	-150	8.5	148.8	-85.1	-71.1	0	0	0	113.3	N473 I475 Q546 H547 V548 K557	N473-F555 HydrophobicContact CB-CD1 4.34Å; N473-F555 HydrophobicContact CB-CE1 4.44Å; I475-F555 HydrophobicContact CG2-CE1 4.04Å; Q546-F555 HydrophobicContact CB-CE1 4.19Å; Q546-F555 HydrophobicContact CB-CE2 4.4Å; Q546-F555 HydrophobicContact CB-CZ 3.53Å; Q546-F555 HydrophobicContact CG-CZ 4.48Å; H547-F555 WeakPolarHBondContact O-CE2 3.28Å; V548-F555 HydrophobicContact CB-CD2 4.4Å; V548-F555 HydrophobicContact CG1-CD2 4.25Å; V548-F555 HydrophobicContact CG2-CD2 4.06Å; V548-F555 HydrophobicContact CG2-CG 4.36Å; F555-K557 VanDerWaalsContact C-N 3.31Å
556	L	40.4	Very low	52.5	Low	150 Å²	150	67.4 Å²	67.4	79%	0.785	39%	0.388	S	S	*	.			trans	-93	21.5	171.6	-75.1	170.2	0	0	0	112.9	D558	L556-D558 PolarHBondContact O-N 3.34Å
557	K	40.3	Very low	50.6	Low	171 Å²	171	66 Å²	66	74%	0.743	38%	0.384	S	S	*	.			trans	-86.8	109.8	175.1	-87.7	-175.6	174.8	177.4	0	110.6	F555	F555-K557 VanDerWaalsContact C-N 3.31Å
558	D	43	Very low	48.8	Very low	82 Å²	82	66.6 Å²	66.6	44%	0.439	39%	0.388	S	S	.	.	S	Bend	trans	54	102.6	142.9	-57.3	-48.6	0	0	0	116.2	L556	L556-D558 PolarHBondContact O-N 3.34Å
559	N	43.1	Very low	46.8	Very low	68 Å²	68	67.5 Å²	67.5	36%	0.364	40%	0.398	S	S	.	.			trans	-166.3	-8.9	141	-92.4	-31.4	0	0	0	118.2	P492 N561	P492-N559 WeakPolarHBondContact CB-OD1 3.31Å; N559-N561 PolarHBondContact O-N 3.26Å
560	N	41.8	Very low	44.8	Very low	121 Å²	121	70 Å²	70	65%	0.647	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	16.4	-170.6	-75.3	-21.5	0	0	0	117.5
561	N	45.2	Very low	43	Very low	21 Å²	21	71.4 Å²	71.4	11%	0.112	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	14.3	-171.9	-66.1	-29.4	0	0	0	116	N559 R565 P715 R764	N559-N561 PolarHBondContact O-N 3.26Å; N561-R565 WeakPolarHBondContact O-CB 3.26Å; N561-R565 VanDerWaalsContact O-CG 3.27Å; N561-R565 WeakPolarHBondContact O-CG 3.31Å; N561-R565 PolarHBondContact O-N 3.07Å; N561-P715 WeakPolarHBondContact OD1-CG 3.38Å; N561-R764 PolarHBondContact ND2-O 2.85Å; N561-R764 VanDerWaalsContact ND2-O 3.16Å
562	A	39.6	Very low	41.7	Very low	37 Å²	37	72.1 Å²	72.1	31%	0.306	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-40.4	-176.6	0	0	0	0	0	113.5	T494	T494-A562 HydrophobicContact CG2-CB 4.4Å
563	A	35.4	Very low	40.7	Very low	50 Å²	50	73.5 Å²	73.5	41%	0.413	41%	0.409	S	S	.	.	H	α-helix	trans	-75.9	-33.3	-177.1	0	0	0	0	0	113.7	L566 A713	A563-L566 WeakPolarHBondContact O-CB 3.46Å; A563-A713 HydrophobicContact CB-CB 3.83Å
564	Q	42.3	Very low	40.1	Very low	21 Å²	21	67.8 Å²	67.8	10%	0.098	39%	0.386	C	S	.	.	H	α-helix	trans	-78.1	-35.9	-179.7	-160.8	73	5.5	0	0	112.4	L566 L567 D568 A713 P715 W718	Q564-L566 PolarHBondContact O-N 3.49Å; Q564-L567 PolarHBondContact O-N 3.04Å; Q564-D568 PolarHBondContact O-N 2.89Å; Q564-D568 VanDerWaalsContact O-N 3.12Å; Q564-A713 PolarHBondContact OE1-O 3.35Å; Q564-P715 HydrophobicContact CB-CG 4.47Å; Q564-P715 HydrophobicContact CG-CG 4.37Å; Q564-W718 HydrophobicContact CG-CH2 4.23Å
565	R	42.3	Very low	39.7	Very low	54 Å²	54	72.2 Å²	72.2	20%	0.204	40%	0.396	C	S	.	.	H	α-helix	trans	-58.6	-28.4	173.5	-81	-179.6	175.1	151.9	25.9	113.2	N561 G569 R764 G765 W766	N561-R565 WeakPolarHBondContact O-CB 3.26Å; N561-R565 VanDerWaalsContact O-CG 3.27Å; N561-R565 WeakPolarHBondContact O-CG 3.31Å; N561-R565 PolarHBondContact O-N 3.07Å; R565-G569 PolarHBondContact O-N 3.47Å; R565-R764 PolarHBondContact NH2-O 2.91Å; R565-G765 PolarHBondContact NH1-O 3.34Å; R565-G765 VanDerWaalsContact NH1-O 3.14Å; R565-G765 PolarHBondContact NH2-O 2.77Å; R565-W766 HydrophobicContact CB-CZ3 4.42Å; R565-W766 HydrophobicContact CG-CE3 4.1Å; R565-W766 HydrophobicContact CG-CH2 3.55Å; R565-W766 HydrophobicContact CG-CZ2 4.39Å; R565-W766 HydrophobicContact CG-CZ3 3.39Å
566	L	38.4	Very low	39.4	Very low	41 Å²	41	73.2 Å²	73.2	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-69.7	-49.8	178.7	-128.1	157.6	0	0	0	112.2	A509 A563 Q564 D568 G569 V570	A509-L566 VanDerWaalsContact C-CD2 3.43Å; A509-L566 VanDerWaalsContact CA-CD2 3.49Å; A509-L566 HydrophobicContact CB-CD2 3.67Å; A509-L566 HydrophobicContact CB-CG 4.34Å; A509-L566 WeakPolarHBondContact O-CD1 3.42Å; A509-L566 WeakPolarHBondContact O-CD2 3.42Å; A509-L566 WeakPolarHBondContact O-CG 3.5Å; A563-L566 WeakPolarHBondContact O-CB 3.46Å; Q564-L566 PolarHBondContact O-N 3.49Å; L566-D568 VanDerWaalsContact C-N 3.31Å; L566-D568 PolarHBondContact O-N 2.61Å; L566-G569 PolarHBondContact O-N 3.33Å; L566-V570 VanDerWaalsContact O-CG2 3.31Å; L566-V570 WeakPolarHBondContact O-CG2 3.5Å; L566-V570 PolarHBondContact O-N 2.72Å; L566-V570 VanDerWaalsContact O-N 3.1Å
567	L	39.5	Very low	39.2	Very low	53 Å²	53	68.5 Å²	68.5	28%	0.277	39%	0.386	S	S	.	.	H	α-helix	trans	-65.1	-36.4	176.9	-68.4	167.6	0	0	0	111.6	Q564 N571 A713	Q564-L567 PolarHBondContact O-N 3.04Å; L567-N571 PolarHBondContact O-N 3.42Å; L567-N571 PolarHBondContact O-ND2 3.38Å; L567-N571 VanDerWaalsContact O-ND2 3.13Å; L567-A713 HydrophobicContact CD1-CB 4.31Å
568	D	40.9	Very low	39	Very low	38 Å²	38	64.8 Å²	64.8	20%	0.203	38%	0.382	C	S	.	.	H	α-helix	trans	-72.4	-35.2	177.2	-77	-22.6	0	0	0	112.5	Q564 L566 N571 L572	Q564-D568 PolarHBondContact O-N 2.89Å; Q564-D568 VanDerWaalsContact O-N 3.12Å; L566-D568 VanDerWaalsContact C-N 3.31Å; L566-D568 PolarHBondContact O-N 2.61Å; D568-N571 PolarHBondContact O-N 2.74Å; D568-L572 PolarHBondContact O-N 3.49Å; D568-L572 VanDerWaalsContact O-N 3.15Å
569	G	38	Very low	38.8	Very low	25 Å²	25	69 Å²	69	26%	0.258	40%	0.399	S	S	.	.	H	α-helix	trans	-66.7	-39.3	173.8	0	0	0	0	0	113.4	R565 L566 L572 V573	R565-G569 PolarHBondContact O-N 3.47Å; L566-G569 PolarHBondContact O-N 3.33Å; G569-L572 PolarHBondContact O-N 2.78Å; G569-V573 WeakPolarHBondContact O-CG2 3.17Å; G569-V573 PolarHBondContact O-N 2.61Å
570	V	39.8	Very low	38.5	Very low	75 Å²	75	72.3 Å²	72.3	46%	0.455	42%	0.416	S	S	.	.	H	α-helix	trans	-67.1	-38.4	176.2	174.7	0	0	0	0	111.6	L566 L572 V573 A574	L566-V570 VanDerWaalsContact O-CG2 3.31Å; L566-V570 WeakPolarHBondContact O-CG2 3.5Å; L566-V570 PolarHBondContact O-N 2.72Å; L566-V570 VanDerWaalsContact O-N 3.1Å; V570-L572 VanDerWaalsContact C-N 3.32Å; V570-L572 PolarHBondContact O-N 2.89Å; V570-V573 PolarHBondContact O-N 2.93Å; V570-A574 PolarHBondContact O-N 2.88Å; V570-A574 VanDerWaalsContact O-N 3.09Å
571	N	35.9	Very low	38.4	Very low	91 Å²	91	70 Å²	70	49%	0.487	42%	0.421	S	S	.	.	H	α-helix	trans	-66.6	-32.7	175.1	-80.6	-39.9	0	0	0	112.9	L567 D568 Q575	L567-N571 PolarHBondContact O-N 3.42Å; L567-N571 PolarHBondContact O-ND2 3.38Å; L567-N571 VanDerWaalsContact O-ND2 3.13Å; D568-N571 PolarHBondContact O-N 2.74Å; N571-Q575 WeakPolarHBondContact O-CG 3.25Å; N571-Q575 PolarHBondContact O-N 2.78Å
572	L	36.9	Very low	38.2	Very low	100 Å²	100	74.5 Å²	74.5	52%	0.524	45%	0.449	S	S	.	.	H	α-helix	trans	-68.1	-42	177.1	-136.3	116.4	0	0	0	111.5	D568 G569 V570 Q575 S576	D568-L572 PolarHBondContact O-N 3.49Å; D568-L572 VanDerWaalsContact O-N 3.15Å; G569-L572 PolarHBondContact O-N 2.78Å; V570-L572 VanDerWaalsContact C-N 3.32Å; V570-L572 PolarHBondContact O-N 2.89Å; L572-Q575 PolarHBondContact O-N 3.37Å; L572-S576 PolarHBondContact O-N 3.22Å; L572-S576 VanDerWaalsContact O-N 3.1Å; L572-S576 PolarHBondContact O-OG 3.18Å
573	V	37.1	Very low	38.6	Very low	83 Å²	83	82.3 Å²	82.3	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-66.1	-40.5	176.2	175.7	0	0	0	0	111.5	G569 V570 Q575 S576 V577	G569-V573 WeakPolarHBondContact O-CG2 3.17Å; G569-V573 PolarHBondContact O-N 2.61Å; V570-V573 PolarHBondContact O-N 2.93Å; V573-Q575 VanDerWaalsContact C-N 3.27Å; V573-Q575 PolarHBondContact O-N 3.5Å; V573-S576 PolarHBondContact O-N 2.82Å; V573-V577 HydrophobicContact CG1-CG2 4.37Å; V573-V577 VanDerWaalsContact O-CG2 3.29Å; V573-V577 WeakPolarHBondContact O-CG2 3.08Å; V573-V577 PolarHBondContact O-N 3.25Å; V573-V577 VanDerWaalsContact O-N 3.17Å
574	A	34.9	Very low	38.9	Very low	56 Å²	56	81.9 Å²	81.9	46%	0.463	47%	0.469	S	S	.	.	H	α-helix	trans	-64.3	-31.4	177.6	0	0	0	0	0	113.1	V570 S578	V570-A574 PolarHBondContact O-N 2.88Å; V570-A574 VanDerWaalsContact O-N 3.09Å; A574-S578 PolarHBondContact O-N 2.97Å; A574-S578 PolarHBondContact O-OG 2.66Å; A574-S578 VanDerWaalsContact O-OG 3.1Å
575	Q	37.3	Very low	38.9	Very low	134 Å²	134	84.6 Å²	84.6	63%	0.626	50%	0.495	S	S	*	.	H	α-helix	trans	-79	-40.1	178.2	-74.3	179	-10.5	0	0	112.2	N571 L572 V573 V577 S578	N571-Q575 WeakPolarHBondContact O-CG 3.25Å; N571-Q575 PolarHBondContact O-N 2.78Å; L572-Q575 PolarHBondContact O-N 3.37Å; V573-Q575 VanDerWaalsContact C-N 3.27Å; V573-Q575 PolarHBondContact O-N 3.5Å; Q575-V577 PolarHBondContact O-N 3.46Å; Q575-S578 PolarHBondContact O-N 3.33Å
576	S	35	Very low	39.1	Very low	67 Å²	67	88.2 Å²	88.2	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-71.2	-27.6	178.2	-60.1	0	0	0	0	114.1	L572 V573	L572-S576 PolarHBondContact O-N 3.22Å; L572-S576 VanDerWaalsContact O-N 3.1Å; L572-S576 PolarHBondContact O-OG 3.18Å; V573-S576 PolarHBondContact O-N 2.82Å
577	V	35.6	Very low	39.6	Very low	51 Å²	51	89.4 Å²	89.4	31%	0.309	53%	0.528	S	S	.	.	H	α-helix	trans	-84.5	-20.1	178.3	-177.1	0	0	0	0	112.1	V573 Q575 E579 L580 P584	V573-V577 HydrophobicContact CG1-CG2 4.37Å; V573-V577 VanDerWaalsContact O-CG2 3.29Å; V573-V577 WeakPolarHBondContact O-CG2 3.08Å; V573-V577 PolarHBondContact O-N 3.25Å; V573-V577 VanDerWaalsContact O-N 3.17Å; Q575-V577 PolarHBondContact O-N 3.46Å; V577-E579 PolarHBondContact O-N 2.93Å; V577-L580 PolarHBondContact O-N 3.4Å; V577-P584 HydrophobicContact CG1-CB 3.8Å; V577-P584 HydrophobicContact CG1-CG 3.83Å
578	S	37.1	Very low	39.8	Very low	93 Å²	93	89.9 Å²	89.9	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-65.2	-21.3	170.8	-73.8	0	0	0	0	113.3	A574 Q575 L580	A574-S578 PolarHBondContact O-N 2.97Å; A574-S578 PolarHBondContact O-OG 2.66Å; A574-S578 VanDerWaalsContact O-OG 3.1Å; Q575-S578 PolarHBondContact O-N 3.33Å; S578-L580 VanDerWaalsContact C-N 3.33Å
579	E	38.3	Very low	40.1	Very low	171 Å²	171	92.2 Å²	92.2	80%	0.799	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.1	176.3	-69.2	-179.2	162.6	0	0	113.5	V577	V577-E579 PolarHBondContact O-N 2.93Å
580	L	37.5	Very low	40.6	Very low	136 Å²	136	92.7 Å²	92.7	71%	0.712	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	8.4	-175.5	-72	171.5	0	0	0	115.2	V577 S578 V582	V577-L580 PolarHBondContact O-N 3.4Å; S578-L580 VanDerWaalsContact C-N 3.33Å; L580-V582 PolarHBondContact O-N 3.03Å
581	G	39.3	Very low	41	Very low	74 Å²	74	96.7 Å²	96.7	76%	0.763	56%	0.555	S	S	*	*			trans	65.8	0.3	162.8	0	0	0	0	0	118.1
582	V	41.4	Very low	41.4	Very low	114 Å²	114	95.7 Å²	95.7	69%	0.691	55%	0.549	S	S	*	.	S	Bend	trans	-97.5	118.9	172.9	-174.2	0	0	0	0	108.7	L580 P584	L580-V582 PolarHBondContact O-N 3.03Å; V582-P584 WeakPolarHBondContact O-CB 3.1Å; V582-P584 WeakPolarHBondContact O-CD 3.2Å; V582-P584 WeakPolarHBondContact O-CG 2.93Å
583	K	48.2	Very low	41.9	Very low	202 Å²	202	93 Å²	93	88%	0.878	54%	0.537	S	S	*	.			trans	-49.9	106.7	-178.9	-67.7	-180	179.8	177.4	0	111.3
584	P	40.2	Very low	42.5	Very low	41 Å²	41	90.6 Å²	90.6	27%	0.266	52%	0.522	S	S	.	.			trans	-117.8	-10.6	-160.1	33.7	-20	0	0	0	116.5	V577 V582 K586 A587 V588	V577-P584 HydrophobicContact CG1-CB 3.8Å; V577-P584 HydrophobicContact CG1-CG 3.83Å; V582-P584 WeakPolarHBondContact O-CB 3.1Å; V582-P584 WeakPolarHBondContact O-CD 3.2Å; V582-P584 WeakPolarHBondContact O-CG 2.93Å; P584-K586 PolarHBondContact O-N 2.84Å; P584-A587 PolarHBondContact O-N 3.01Å; P584-V588 HydrophobicContact CB-CG2 4.11Å; P584-V588 VanDerWaalsContact O-CB 3.25Å; P584-V588 WeakPolarHBondContact O-CB 3.12Å; P584-V588 WeakPolarHBondContact O-CG2 3.31Å; P584-V588 PolarHBondContact O-N 3.01Å
585	A	44.1	Very low	42.9	Very low	78 Å²	78	94.3 Å²	94.3	65%	0.645	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-51.6	-167.6	0	0	0	0	0	113.9	T589	A585-T589 PolarHBondContact O-N 2.88Å; A585-T589 VanDerWaalsContact O-N 3.15Å; A585-T589 PolarHBondContact O-OG1 3.35Å
586	K	46.5	Very low	43.1	Very low	130 Å²	130	92.3 Å²	92.3	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-74.9	-31.6	179.7	-79.4	-171.9	174.4	-175.7	0	113.6	P584 T589 S590 N620	P584-K586 PolarHBondContact O-N 2.84Å; K586-T589 PolarHBondContact O-N 3.49Å; K586-S590 VanDerWaalsContact O-CB 3.28Å; K586-S590 WeakPolarHBondContact O-CB 3.47Å; K586-S590 PolarHBondContact O-N 3.23Å; K586-N620 PolarHBondContact NZ-O 3.25Å
587	A	47.6	Very low	43.7	Very low	65 Å²	65	90.3 Å²	90.3	54%	0.537	51%	0.509	S	S	.	.	H	α-helix	trans	-70.2	-40.9	178.7	0	0	0	0	0	111.7	P584 S590 W591	P584-A587 PolarHBondContact O-N 3.01Å; A587-S590 PolarHBondContact O-N 3.03Å; A587-W591 WeakPolarHBondContact O-CB 3.42Å; A587-W591 PolarHBondContact O-N 3.42Å
588	V	45	Very low	44.7	Very low	64 Å²	64	90 Å²	90	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-65.3	-42.6	172.4	173.6	0	0	0	0	110.4	P584 W591 L592	P584-V588 HydrophobicContact CB-CG2 4.11Å; P584-V588 VanDerWaalsContact O-CB 3.25Å; P584-V588 WeakPolarHBondContact O-CB 3.12Å; P584-V588 WeakPolarHBondContact O-CG2 3.31Å; P584-V588 PolarHBondContact O-N 3.01Å; V588-W591 PolarHBondContact O-N 2.95Å; V588-L592 HydrophobicContact CG1-CD1 3.84Å; V588-L592 WeakPolarHBondContact O-CB 3.21Å; V588-L592 PolarHBondContact O-N 3.26Å
589	T	46	Very low	45.9	Very low	86 Å²	86	91 Å²	91	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-41.5	174.6	-57	0	0	0	0	112.2	A585 K586 L592 T593	A585-T589 PolarHBondContact O-N 2.88Å; A585-T589 VanDerWaalsContact O-N 3.15Å; A585-T589 PolarHBondContact O-OG1 3.35Å; K586-T589 PolarHBondContact O-N 3.49Å; T589-L592 PolarHBondContact O-N 2.92Å; T589-T593 WeakPolarHBondContact O-CB 3.49Å; T589-T593 PolarHBondContact O-N 2.92Å; T589-T593 PolarHBondContact O-OG1 3.05Å
590	S	48.1	Very low	47.4	Very low	36 Å²	36	86.1 Å²	86.1	25%	0.252	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-43.6	177	-174.6	0	0	0	0	111.6	K586 A587 T593 D594 N604	K586-S590 VanDerWaalsContact O-CB 3.28Å; K586-S590 WeakPolarHBondContact O-CB 3.47Å; K586-S590 PolarHBondContact O-N 3.23Å; A587-S590 PolarHBondContact O-N 3.03Å; S590-T593 PolarHBondContact O-N 3.29Å; S590-D594 VanDerWaalsContact O-CG 3.29Å; S590-D594 PolarHBondContact O-N 2.96Å; S590-D594 VanDerWaalsContact O-N 3.13Å; S590-N604 WeakPolarHBondContact OG-CB 3.45Å
591	W	49.9	Very low	49.6	Very low	158 Å²	158	81.5 Å²	81.5	60%	0.598	47%	0.47	S	S	*	.	H	α-helix	trans	-64.4	-41	174.6	178	86.2	0	0	0	111.9	A587 V588 D594 Q595	A587-W591 WeakPolarHBondContact O-CB 3.42Å; A587-W591 PolarHBondContact O-N 3.42Å; V588-W591 PolarHBondContact O-N 2.95Å; W591-D594 PolarHBondContact O-N 3.44Å; W591-Q595 HydrophobicContact CZ2-CG 4.47Å; W591-Q595 WeakPolarHBondContact O-CG 3.46Å; W591-Q595 PolarHBondContact O-N 3.01Å
592	L	43	Very low	51.5	Low	71 Å²	71	81.4 Å²	81.4	37%	0.372	45%	0.449	S	S	.	.	H	α-helix	trans	-64.3	-41.4	174.7	-113.3	117.2	0	0	0	112.1	V588 T589 D594 Q595 I596	V588-L592 HydrophobicContact CG1-CD1 3.84Å; V588-L592 WeakPolarHBondContact O-CB 3.21Å; V588-L592 PolarHBondContact O-N 3.26Å; T589-L592 PolarHBondContact O-N 2.92Å; L592-D594 VanDerWaalsContact C-N 3.26Å; L592-D594 PolarHBondContact O-N 3.31Å; L592-Q595 PolarHBondContact O-N 2.89Å; L592-Q595 VanDerWaalsContact O-N 3.15Å; L592-I596 WeakPolarHBondContact O-CG1 3.18Å; L592-I596 PolarHBondContact O-N 3Å
593	T	47.5	Very low	53.1	Low	44 Å²	44	78.2 Å²	78.2	27%	0.27	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-37	178.4	-54.8	0	0	0	0	110.8	T589 S590 Q595 I596 A597	T589-T593 WeakPolarHBondContact O-CB 3.49Å; T589-T593 PolarHBondContact O-N 2.92Å; T589-T593 PolarHBondContact O-OG1 3.05Å; S590-T593 PolarHBondContact O-N 3.29Å; T593-Q595 VanDerWaalsContact C-N 3.29Å; T593-Q595 PolarHBondContact O-N 2.9Å; T593-I596 WeakPolarHBondContact O-CG1 3.19Å; T593-I596 PolarHBondContact O-N 3.31Å; T593-A597 WeakPolarHBondContact O-CB 3.37Å; T593-A597 PolarHBondContact O-N 3.44Å
594	D	49.7	Very low	54	Low	32 Å²	32	69.3 Å²	69.3	17%	0.171	39%	0.393	C	S	.	.	H	α-helix	trans	-68.6	-25.2	177.7	-70.1	-6.3	0	0	0	112.9	S590 W591 L592 P603 N604 S605	S590-D594 VanDerWaalsContact O-CG 3.29Å; S590-D594 PolarHBondContact O-N 2.96Å; S590-D594 VanDerWaalsContact O-N 3.13Å; W591-D594 PolarHBondContact O-N 3.44Å; L592-D594 VanDerWaalsContact C-N 3.26Å; L592-D594 PolarHBondContact O-N 3.31Å; D594-P603 HydrophobicContact CB-CB 4.38Å; D594-N604 VanDerWaalsContact CG-N 3.32Å; D594-N604 VanDerWaalsContact OD1-CB 3.28Å; D594-N604 WeakPolarHBondContact OD1-CB 3.37Å; D594-N604 PolarHBondContact OD1-N 3.14Å; D594-N604 PolarHBondContact OD1-ND2 3.18Å; D594-N604 PolarHBondContact OD2-N 3.19Å; D594-S605 PolarHBondContact OD2-N 3.34Å; D594-S605 PolarHBondContact OD2-OG 3.44Å
595	Q	44	Very low	55.5	Low	133 Å²	133	71 Å²	71	62%	0.621	41%	0.406	S	S	*	.	H	α-helix	trans	-83.1	-15	177.4	-63.4	-60.4	-38.1	0	0	113.7	W591 L592 T593	W591-Q595 HydrophobicContact CZ2-CG 4.47Å; W591-Q595 WeakPolarHBondContact O-CG 3.46Å; W591-Q595 PolarHBondContact O-N 3.01Å; L592-Q595 PolarHBondContact O-N 2.89Å; L592-Q595 VanDerWaalsContact O-N 3.15Å; T593-Q595 VanDerWaalsContact C-N 3.29Å; T593-Q595 PolarHBondContact O-N 2.9Å
596	I	40.9	Very low	57	Low	93 Å²	93	72.4 Å²	72.4	48%	0.477	40%	0.402	S	S	.	.	H	α-helix	trans	-115.3	-7	-178.8	64.6	176.2	0	0	0	113.2	W530 L592 T593	W530-I596 HydrophobicContact CZ2-CB 4.33Å; W530-I596 WeakPolarHBondContact CZ2-O 3.45Å; L592-I596 WeakPolarHBondContact O-CG1 3.18Å; L592-I596 PolarHBondContact O-N 3Å; T593-I596 WeakPolarHBondContact O-CG1 3.19Å; T593-I596 PolarHBondContact O-N 3.31Å
597	A	49.2	Very low	58.6	Low	25 Å²	25	66.3 Å²	66.3	21%	0.207	38%	0.375	C	S	.	.	S	Bend	trans	-66	146.3	178.9	0	0	0	0	0	111.2	T593 A599 W601	T593-A597 WeakPolarHBondContact O-CB 3.37Å; T593-A597 PolarHBondContact O-N 3.44Å; A597-A599 PolarHBondContact O-N 3.49Å; A597-W601 HydrophobicContact CB-CB 4.01Å; A597-W601 HydrophobicContact CB-CD2 4.42Å; A597-W601 HydrophobicContact CB-CE3 3.93Å; A597-W601 HydrophobicContact CB-CG 4.49Å
598	P	55.6	Low	60.3	Low	43 Å²	43	68.9 Å²	68.9	28%	0.279	38%	0.377	S	S	.	.			trans	-51.4	143.3	169.8	-25.8	33.7	0	0	0	111.2	Y600 W601 W649	P598-Y600 HydrophobicContact CB-CD1 3.53Å; P598-Y600 HydrophobicContact CB-CE1 3.25Å; P598-Y600 HydrophobicContact CG-CE1 3.97Å; P598-Y600 PolarHBondContact O-N 3.4Å; P598-W601 HydrophobicContact CB-CG 4.35Å; P598-W601 HydrophobicContact CG-CD2 4.24Å; P598-W601 HydrophobicContact CG-CG 4.29Å; P598-W601 WeakPolarHBondContact O-CB 3.29Å; P598-W601 PolarHBondContact O-N 3.47Å; P598-W649 HydrophobicContact CG-CZ2 4.43Å
599	A	61.8	Low	62.5	Low	116 Å²	116	70.2 Å²	70.2	96%	0.959	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.9	-175	0	0	0	0	0	114.7	A597	A597-A599 PolarHBondContact O-N 3.49Å
600	Y	70.1	Confident	64.7	Low	67 Å²	67	66.1 Å²	66.1	26%	0.263	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.6	176	74.5	-86.4	0	0	0	113.8	P598 R627 W649	P598-Y600 HydrophobicContact CB-CD1 3.53Å; P598-Y600 HydrophobicContact CB-CE1 3.25Å; P598-Y600 HydrophobicContact CG-CE1 3.97Å; P598-Y600 PolarHBondContact O-N 3.4Å; Y600-R627 PolarHBondContact OH-O 3.45Å; Y600-W649 PolarHBondContact OH-NE1 3Å
601	W	83.2	Confident	66.8	Low	39 Å²	39	69 Å²	69	15%	0.148	37%	0.365	C	S	.	.	S	Bend	trans	-80.1	139.6	176.6	-78.9	22.5	0	0	0	110.7	A597 P598 P603 H625 R627 G630 W649	A597-W601 HydrophobicContact CB-CB 4.01Å; A597-W601 HydrophobicContact CB-CD2 4.42Å; A597-W601 HydrophobicContact CB-CE3 3.93Å; A597-W601 HydrophobicContact CB-CG 4.49Å; P598-W601 HydrophobicContact CB-CG 4.35Å; P598-W601 HydrophobicContact CG-CD2 4.24Å; P598-W601 HydrophobicContact CG-CG 4.29Å; P598-W601 WeakPolarHBondContact O-CB 3.29Å; P598-W601 PolarHBondContact O-N 3.47Å; W601-P603 WeakPolarHBondContact O-CD 3.46Å; W601-H625 HydrophobicContact CD2-CB 3.74Å; W601-H625 AromaticContact CD2-CD2 3.85Å; W601-H625 AromaticContact CD2-CG 3.82Å; W601-H625 HydrophobicContact CE3-CB 3.57Å; W601-H625 AromaticContact CE3-CD2 3.56Å; W601-H625 AromaticContact CE3-CG 3.32Å; W601-H625 AromaticContact CE3-ND1 3.69Å; W601-H625 AromaticContact CE3-NE2 3.99Å; W601-H625 HydrophobicContact CH2-CB 3.76Å; W601-H625 HydrophobicContact CZ2-CB 3.91Å; W601-H625 HydrophobicContact CZ3-CB 3.58Å; W601-H625 AromaticContact CZ3-CG 3.6Å; W601-H625 AromaticContact CZ3-ND1 3.69Å; W601-R627 HydrophobicContact CZ2-CG 4.17Å; W601-G630 WeakPolarHBondContact CA-O 3.36Å; W601-W649 HydrophobicContact CZ2-CH2 4.25Å; W601-W649 AromaticContact CZ2-CZ2 3.93Å; W601-W649 HydrophobicContact CZ2-CZ2 3.93Å
602	K	79.5	Confident	68.8	Low	73 Å²	73	65.7 Å²	65.7	32%	0.317	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-71.9	126.2	171.6	-167.5	170.4	-176.6	176	0	109.3	L606 I607 H625 G630 E631	K602-L606 VanDerWaalsContact CE-O 3.29Å; K602-L606 WeakPolarHBondContact CE-O 2.91Å; K602-L606 HydrophobicContact CG-CB 4.15Å; K602-I607 HydrophobicContact CB-CD1 4.2Å; K602-I607 HydrophobicContact CB-CG1 4.17Å; K602-I607 HydrophobicContact CD-CG1 3.99Å; K602-I607 HydrophobicContact CG-CD1 4.48Å; K602-I607 HydrophobicContact CG-CG1 3.94Å; K602-I607 WeakPolarHBondContact O-CD1 3.15Å; K602-H625 PolarHBondContact O-NE2 3.16Å; K602-G630 PolarHBondContact N-O 3.05Å; K602-E631 VanDerWaalsContact CD-OE2 3.31Å; K602-E631 WeakPolarHBondContact CD-OE2 2.82Å; K602-E631 IonicContact NZ-OE2 2.77Å
603	P	74.4	Confident	71.1	Confident	47 Å²	47	65.5 Å²	65.5	31%	0.305	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-54.6	140.3	174.4	-26.7	33.6	0	0	0	112.1	D594 W601 S605 L606 I607	D594-P603 HydrophobicContact CB-CB 4.38Å; W601-P603 WeakPolarHBondContact O-CD 3.46Å; P603-S605 PolarHBondContact O-N 2.75Å; P603-L606 HydrophobicContact CB-CD1 4.34Å; P603-L606 HydrophobicContact CB-CG 4.25Å; P603-L606 HydrophobicContact CG-CD1 4.08Å; P603-L606 WeakPolarHBondContact O-CA 3.23Å; P603-L606 WeakPolarHBondContact O-CB 3.04Å; P603-L606 PolarHBondContact O-N 2.92Å; P603-I607 PolarHBondContact O-N 2.68Å
604	N	68.2	Low	73.2	Confident	14 Å²	14	69.2 Å²	69.2	8%	0.075	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-57	-33.7	178.8	-80.6	-40.4	0	0	0	113.1	S590 D594 L606 I607 K623 H625	S590-N604 WeakPolarHBondContact OG-CB 3.45Å; D594-N604 VanDerWaalsContact CG-N 3.32Å; D594-N604 VanDerWaalsContact OD1-CB 3.28Å; D594-N604 WeakPolarHBondContact OD1-CB 3.37Å; D594-N604 PolarHBondContact OD1-N 3.14Å; D594-N604 PolarHBondContact OD1-ND2 3.18Å; D594-N604 PolarHBondContact OD2-N 3.19Å; N604-L606 PolarHBondContact O-N 3.45Å; N604-I607 PolarHBondContact O-N 2.82Å; N604-K623 PolarHBondContact O-NZ 3.34Å; N604-H625 PolarHBondContact OD1-CE1 3.21Å
605	S	71.1	Confident	75.2	Confident	78 Å²	78	70.2 Å²	70.2	55%	0.545	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26.2	173.4	49.9	0	0	0	0	113.4	D594 P603	D594-S605 PolarHBondContact OD2-N 3.34Å; D594-S605 PolarHBondContact OD2-OG 3.44Å; P603-S605 PolarHBondContact O-N 2.75Å
606	L	75.7	Confident	77.3	Confident	106 Å²	106	68.2 Å²	68.2	56%	0.555	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-97	-4.8	179.5	-58.2	-178.1	0	0	0	113	K602 P603 N604 M608	K602-L606 VanDerWaalsContact CE-O 3.29Å; K602-L606 WeakPolarHBondContact CE-O 2.91Å; K602-L606 HydrophobicContact CG-CB 4.15Å; P603-L606 HydrophobicContact CB-CD1 4.34Å; P603-L606 HydrophobicContact CB-CG 4.25Å; P603-L606 HydrophobicContact CG-CD1 4.08Å; P603-L606 WeakPolarHBondContact O-CA 3.23Å; P603-L606 WeakPolarHBondContact O-CB 3.04Å; P603-L606 PolarHBondContact O-N 2.92Å; N604-L606 PolarHBondContact O-N 3.45Å; L606-M608 PolarHBondContact O-N 3.26Å
607	I	80.8	Confident	79.3	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.015	36%	0.363	C	S	.	.			trans	-95.2	92.7	177.9	-62.7	163.1	0	0	0	108.3	K602 P603 N604 F617 K623 H625	K602-I607 HydrophobicContact CB-CD1 4.2Å; K602-I607 HydrophobicContact CB-CG1 4.17Å; K602-I607 HydrophobicContact CD-CG1 3.99Å; K602-I607 HydrophobicContact CG-CD1 4.48Å; K602-I607 HydrophobicContact CG-CG1 3.94Å; K602-I607 WeakPolarHBondContact O-CD1 3.15Å; P603-I607 PolarHBondContact O-N 2.68Å; N604-I607 PolarHBondContact O-N 2.82Å; I607-F617 HydrophobicContact CG2-CD2 3.87Å; I607-F617 HydrophobicContact CG2-CE2 3.55Å; I607-K623 HydrophobicContact CB-CD 4.23Å; I607-K623 HydrophobicContact CG2-CD 4.09Å; I607-K623 HydrophobicContact CG2-CG 4.48Å; I607-K623 VanDerWaalsContact O-CE 3.26Å; I607-K623 WeakPolarHBondContact O-CE 3.31Å; I607-K623 PolarHBondContact O-NZ 2.86Å; I607-H625 WeakPolarHBondContact CD1-NE2 3.49Å
608	M	83.8	Confident	80.8	Confident	118 Å²	118	69.5 Å²	69.5	58%	0.581	38%	0.381	S	S	*	.			trans	-96.7	-20.3	178.6	-60.4	-57.3	-72.8	0	0	113.1	L606 F617	L606-M608 PolarHBondContact O-N 3.26Å; M608-F617 PolarHBondContact O-N 3.36Å
609	M	89.7	Confident	81.1	Confident	93 Å²	93	75.3 Å²	75.3	46%	0.458	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-146	155.4	179	62.4	-173	75.4	0	0	110.6	H611 H614 A615	M609-H611 PolarHBondContact O-N 3.03Å; M609-H614 HydrophobicContact SD-CB 4.39Å; M609-A615 CarbonylContact C-O 3.2Å; M609-A615 WeakPolarHBondContact CA-O 3.23Å; M609-A615 WeakPolarHBondContact CB-O 3.39Å
610	C	92.1	Very high	81.2	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	40%	0.396	C	S	.	.			trans	-60.4	128.8	174.4	177.9	0	0	0	0	109.9	K612 C613 H614 A615 F617 C634	C610-K612 PolarHBondContact O-N 3.27Å; C610-C613 WeakPolarHBondContact CB-SG 3.47Å; C610-C613 PolarHBondContact SG-SG 2.93Å; C610-H614 WeakPolarHBondContact O-CA 3.39Å; C610-H614 PolarHBondContact O-N 3.03Å; C610-A615 PolarHBondContact N-O 3.4Å; C610-F617 HydrophobicContact CB-CE2 4.3Å; C610-F617 HydrophobicContact CB-CZ 4Å; C610-F617 VanDerWaalsContact N-CE2 3.29Å; C610-C634 HydrophobicContact CB-CB 4.45Å; C610-C634 PolarHBondContact SG-N 3.16Å; C610-C634 VanDerWaalsContact SG-N 3.43Å
611	H	93.3	Very high	81.1	Confident	96 Å²	96	76.1 Å²	76.1	44%	0.444	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.9	-176.9	-171.8	99.4	0	0	0	113.2	M609 H614 E631 G632 F633	M609-H611 PolarHBondContact O-N 3.03Å; H611-H614 PolarHBondContact O-CE1 3.22Å; H611-E631 HydrophobicContact CB-CB 3.98Å; H611-E631 IonicContact CE1-OE2 3.66Å; H611-E631 IonicContact CG-OE2 2.98Å; H611-E631 VanDerWaalsContact ND1-CD 3.27Å; H611-E631 WeakPolarHBondContact ND1-CG 2.65Å; H611-E631 IonicContact ND1-OE2 3.65Å; H611-E631 PolarHBondContact ND1-OE2 3.39Å; H611-G632 WeakPolarHBondContact CB-O 3.01Å; H611-G632 PolarHBondContact N-O 2.85Å; H611-F633 HydrophobicContact CB-CD1 4.15Å; H611-F633 HydrophobicContact CB-CE1 3.65Å; H611-F633 HydrophobicContact CB-CE2 4.46Å; H611-F633 HydrophobicContact CB-CZ 3.81Å
612	K	91.3	Very high	80.5	Confident	88 Å²	88	78.8 Å²	78.8	38%	0.383	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-58.4	178.4	-171.2	-172.6	-175.1	-162.8	0	113.2	C610 F633 C637 D658	C610-K612 PolarHBondContact O-N 3.27Å; K612-F633 HydrophobicContact CB-CD1 3.93Å; K612-F633 HydrophobicContact CB-CE1 3.92Å; K612-C637 HydrophobicContact CB-CB 3.98Å; K612-C637 HydrophobicContact CD-CB 3.98Å; K612-D658 HydrophobicContact CD-CB 4.37Å; K612-D658 VanDerWaalsContact NZ-CB 3.32Å; K612-D658 IonicContact NZ-OD2 3.57Å; K612-D658 PolarHBondContact NZ-OD2 3.32Å
613	C	91.7	Very high	80.5	Confident	67 Å²	67	78.1 Å²	78.1	45%	0.453	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.7	-173.5	68.5	0	0	0	0	113.9	C610 A615	C610-C613 WeakPolarHBondContact CB-SG 3.47Å; C610-C613 PolarHBondContact SG-SG 2.93Å; C613-A615 PolarHBondContact O-N 3.39Å; C613-A615 VanDerWaalsContact SG-CB 3.6Å
614	H	92.4	Very high	80.9	Confident	123 Å²	123	77.8 Å²	77.8	57%	0.569	42%	0.415	S	S	*	.			trans	57.4	13.6	-178.6	-54	-62.5	0	0	0	115.3	M609 C610 H611 V616	M609-H614 HydrophobicContact SD-CB 4.39Å; C610-H614 WeakPolarHBondContact O-CA 3.39Å; C610-H614 PolarHBondContact O-N 3.03Å; H611-H614 PolarHBondContact O-CE1 3.22Å; H614-V616 PolarHBondContact O-N 3.35Å
615	A	90.2	Very high	81.6	Confident	52 Å²	52	77.7 Å²	77.7	43%	0.43	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-60.9	125.4	170.9	0	0	0	0	0	109.7	M609 C610 C613 F617	M609-A615 CarbonylContact C-O 3.2Å; M609-A615 WeakPolarHBondContact CA-O 3.23Å; M609-A615 WeakPolarHBondContact CB-O 3.39Å; C610-A615 PolarHBondContact N-O 3.4Å; C613-A615 PolarHBondContact O-N 3.39Å; C613-A615 VanDerWaalsContact SG-CB 3.6Å; A615-F617 PolarHBondContact O-N 3.15Å
616	V	89.1	Confident	82.3	Confident	91 Å²	91	74 Å²	74	55%	0.552	39%	0.388	S	S	*	.	B	Isolated β-bridge	trans	-70.5	126.9	178.4	-179.6	0	0	0	0	109	H614	H614-V616 PolarHBondContact O-N 3.35Å
617	F	83.1	Confident	82.7	Confident	21 Å²	21	72 Å²	72	9%	0.092	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-73.8	128.8	176.3	-69.8	-65.4	0	0	0	110	I607 M608 C610 A615 D621 K623 C634	I607-F617 HydrophobicContact CG2-CD2 3.87Å; I607-F617 HydrophobicContact CG2-CE2 3.55Å; M608-F617 PolarHBondContact O-N 3.36Å; C610-F617 HydrophobicContact CB-CE2 4.3Å; C610-F617 HydrophobicContact CB-CZ 4Å; C610-F617 VanDerWaalsContact N-CE2 3.29Å; A615-F617 PolarHBondContact O-N 3.15Å; F617-D621 WeakPolarHBondContact CA-OD2 3.24Å; F617-D621 HydrophobicContact CB-CB 4.24Å; F617-D621 HydrophobicContact CD1-CB 3.77Å; F617-D621 HydrophobicContact CG-CB 4.48Å; F617-K623 HydrophobicContact CD1-CG 4.32Å; F617-K623 HydrophobicContact CD2-CG 4.14Å; F617-K623 HydrophobicContact CE1-CG 4.45Å; F617-K623 HydrophobicContact CE2-CG 4.28Å; F617-K623 HydrophobicContact CG-CG 4.16Å; F617-K623 HydrophobicContact CZ-CG 4.43Å; F617-C634 HydrophobicContact CE1-CB 3.96Å; F617-C634 HydrophobicContact CZ-CB 4.32Å
618	Q	80.4	Confident	82.7	Confident	125 Å²	125	72.1 Å²	72.1	58%	0.584	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-75.2	160.4	167.5	-57	-58.5	-50	0	0	110.1	N620 D621	Q618-N620 PolarHBondContact O-N 3.14Å; Q618-D621 PolarHBondContact N-OD2 3.08Å; Q618-D621 WeakPolarHBondContact O-CB 3.18Å; Q618-D621 PolarHBondContact O-N 2.92Å
619	D	61.8	Low	82.7	Confident	165 Å²	165	68.6 Å²	68.6	88%	0.882	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.4	-176.7	-67.3	-27.9	0	0	0	114.6
620	N	62.6	Low	82.4	Confident	124 Å²	124	64.2 Å²	64.2	66%	0.663	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-3.7	179.8	-75.7	-33	0	0	0	115.1	K586 Q618	K586-N620 PolarHBondContact NZ-O 3.25Å; Q618-N620 PolarHBondContact O-N 3.14Å
621	D	68.7	Low	82.3	Confident	76 Å²	76	66.6 Å²	66.6	41%	0.406	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-71.8	139.4	-176.1	-70.6	-14.7	0	0	0	111.7	F617 Q618 K623	F617-D621 WeakPolarHBondContact CA-OD2 3.24Å; F617-D621 HydrophobicContact CB-CB 4.24Å; F617-D621 HydrophobicContact CD1-CB 3.77Å; F617-D621 HydrophobicContact CG-CB 4.48Å; Q618-D621 PolarHBondContact N-OD2 3.08Å; Q618-D621 WeakPolarHBondContact O-CB 3.18Å; Q618-D621 PolarHBondContact O-N 2.92Å; D621-K623 PolarHBondContact O-N 2.77Å
622	T	69.8	Low	82.1	Confident	94 Å²	94	62.1 Å²	62.1	58%	0.577	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-77.8	120.5	173.4	-52.6	0	0	0	0	109.4
623	K	80.4	Confident	82.1	Confident	60 Å²	60	58.1 Å²	58.1	26%	0.261	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-92.5	139.2	176.5	-59.2	172.7	-173.7	-177.5	0	109.3	N604 I607 F617 D621	N604-K623 PolarHBondContact O-NZ 3.34Å; I607-K623 HydrophobicContact CB-CD 4.23Å; I607-K623 HydrophobicContact CG2-CD 4.09Å; I607-K623 HydrophobicContact CG2-CG 4.48Å; I607-K623 VanDerWaalsContact O-CE 3.26Å; I607-K623 WeakPolarHBondContact O-CE 3.31Å; I607-K623 PolarHBondContact O-NZ 2.86Å; F617-K623 HydrophobicContact CD1-CG 4.32Å; F617-K623 HydrophobicContact CD2-CG 4.14Å; F617-K623 HydrophobicContact CE1-CG 4.45Å; F617-K623 HydrophobicContact CE2-CG 4.28Å; F617-K623 HydrophobicContact CG-CG 4.16Å; F617-K623 HydrophobicContact CZ-CG 4.43Å; D621-K623 PolarHBondContact O-N 2.77Å
624	H	82.2	Confident	82	Confident	39 Å²	39	56.4 Å²	56.4	18%	0.181	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	179.6	-56.1	-80.5	0	0	0	111.5	G632 F633 D635	H624-G632 CarbonylContact O-C 3.54Å; H624-F633 WeakPolarHBondContact CB-O 3.11Å; H624-F633 PolarHBondContact N-O 3.28Å; H624-F633 PolarHBondContact O-N 3.18Å; H624-D635 PolarHBondContact CD2-N 2.89Å; H624-D635 IonicContact NE2-OD1 3.58Å
625	H	83.6	Confident	81.6	Confident	13 Å²	13	54.4 Å²	54.4	6%	0.06	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	139.4	175.1	-63	81.6	0	0	0	112.5	W601 K602 N604 I607 R627 E631	W601-H625 HydrophobicContact CD2-CB 3.74Å; W601-H625 AromaticContact CD2-CD2 3.85Å; W601-H625 AromaticContact CD2-CG 3.82Å; W601-H625 HydrophobicContact CE3-CB 3.57Å; W601-H625 AromaticContact CE3-CD2 3.56Å; W601-H625 AromaticContact CE3-CG 3.32Å; W601-H625 AromaticContact CE3-ND1 3.69Å; W601-H625 AromaticContact CE3-NE2 3.99Å; W601-H625 HydrophobicContact CH2-CB 3.76Å; W601-H625 HydrophobicContact CZ2-CB 3.91Å; W601-H625 HydrophobicContact CZ3-CB 3.58Å; W601-H625 AromaticContact CZ3-CG 3.6Å; W601-H625 AromaticContact CZ3-ND1 3.69Å; K602-H625 PolarHBondContact O-NE2 3.16Å; N604-H625 PolarHBondContact OD1-CE1 3.21Å; I607-H625 WeakPolarHBondContact CD1-NE2 3.49Å; H625-R627 PolarHBondContact O-NH1 2.74Å; H625-E631 WeakPolarHBondContact CA-O 3.32Å
626	C	85.5	Confident	81.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.299	C	S	.	.			trans	-76.9	124.1	167.1	176.8	0	0	0	0	110	A628 C629 G630 E631 F633 C657	C626-A628 PolarHBondContact O-N 3.08Å; C626-A628 VanDerWaalsContact O-N 3.16Å; C626-C629 WeakPolarHBondContact CB-SG 3.29Å; C626-G630 VanDerWaalsContact O-CA 3.29Å; C626-G630 WeakPolarHBondContact O-CA 3.41Å; C626-G630 PolarHBondContact O-N 3.13Å; C626-E631 PolarHBondContact N-O 3.4Å; C626-F633 HydrophobicContact CB-CD2 3.88Å; C626-F633 HydrophobicContact CB-CE2 3.48Å; C626-F633 VanDerWaalsContact CB-CE2 3.48Å; C626-F633 HydrophobicContact CB-CZ 4.47Å; C626-C657 HydrophobicContact CB-CB 4.14Å; C626-C657 PolarHBondContact SG-N 3.35Å
627	R	84.3	Confident	81.4	Confident	65 Å²	65	50.6 Å²	50.6	25%	0.245	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-11.9	-179.5	-77	79.4	176.3	158.3	-13.7	113.5	Y600 W601 H625 W649 V654 R655	Y600-R627 PolarHBondContact OH-O 3.45Å; W601-R627 HydrophobicContact CZ2-CG 4.17Å; H625-R627 PolarHBondContact O-NH1 2.74Å; R627-W649 HydrophobicContact CB-CD2 4.25Å; R627-W649 HydrophobicContact CB-CG 4.45Å; R627-W649 HydrophobicContact CB-CZ2 4.17Å; R627-W649 HydrophobicContact CG-CD2 4.11Å; R627-W649 HydrophobicContact CG-CE3 4.4Å; R627-W649 HydrophobicContact CG-CH2 4.03Å; R627-W649 HydrophobicContact CG-CZ2 3.68Å; R627-W649 HydrophobicContact CG-CZ3 4.36Å; R627-W649 PolarHBondContact O-NE1 3.23Å; R627-V654 HydrophobicContact CB-CB 4.26Å; R627-V654 HydrophobicContact CB-CG2 3.65Å; R627-V654 HydrophobicContact CG-CB 4.12Å; R627-V654 HydrophobicContact CG-CG2 4.05Å; R627-R655 WeakPolarHBondContact CD-O 3.41Å; R627-R655 PolarHBondContact N-O 3.23Å
628	A	80.3	Confident	81.8	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.033	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-49.7	177.9	0	0	0	0	0	113.5	C626 V644 R647 V656 C660	C626-A628 PolarHBondContact O-N 3.08Å; C626-A628 VanDerWaalsContact O-N 3.16Å; A628-V644 HydrophobicContact CB-CG1 4.19Å; A628-V644 HydrophobicContact CB-CG2 4.21Å; A628-R647 PolarHBondContact O-NE 3.42Å; A628-V656 HydrophobicContact CB-CG1 3.89Å; A628-C660 HydrophobicContact CB-CB 3.88Å
629	C	83.4	Confident	82.1	Confident	45 Å²	45	47.2 Å²	47.2	30%	0.304	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-15.8	-175	69.5	0	0	0	0	114.6	C626 E631	C626-C629 WeakPolarHBondContact CB-SG 3.29Å; C629-E631 VanDerWaalsContact C-N 3.27Å; C629-E631 PolarHBondContact O-N 2.89Å
630	G	83.9	Confident	83.3	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.243	C	C	.	.			trans	78.8	-1.7	177.2	0	0	0	0	0	115.8	W601 K602 C626	W601-G630 WeakPolarHBondContact CA-O 3.36Å; K602-G630 PolarHBondContact N-O 3.05Å; C626-G630 VanDerWaalsContact O-CA 3.29Å; C626-G630 WeakPolarHBondContact O-CA 3.41Å; C626-G630 PolarHBondContact O-N 3.13Å
631	E	91.1	Very high	84.3	Confident	51 Å²	51	39.1 Å²	39.1	24%	0.238	23%	0.229	C	C	.	.			trans	-77.3	162.2	177.3	-69.3	-69.6	153.7	0	0	112.7	K602 H611 H625 C626 C629 F633	K602-E631 VanDerWaalsContact CD-OE2 3.31Å; K602-E631 WeakPolarHBondContact CD-OE2 2.82Å; K602-E631 IonicContact NZ-OE2 2.77Å; H611-E631 HydrophobicContact CB-CB 3.98Å; H611-E631 IonicContact CE1-OE2 3.66Å; H611-E631 IonicContact CG-OE2 2.98Å; H611-E631 VanDerWaalsContact ND1-CD 3.27Å; H611-E631 WeakPolarHBondContact ND1-CG 2.65Å; H611-E631 IonicContact ND1-OE2 3.65Å; H611-E631 PolarHBondContact ND1-OE2 3.39Å; H625-E631 WeakPolarHBondContact CA-O 3.32Å; C626-E631 PolarHBondContact N-O 3.4Å; C629-E631 VanDerWaalsContact C-N 3.27Å; C629-E631 PolarHBondContact O-N 2.89Å; E631-F633 VanDerWaalsContact C-CE2 3.48Å; E631-F633 HydrophobicContact CB-CE2 3.55Å; E631-F633 HydrophobicContact CB-CZ 3.78Å; E631-F633 WeakPolarHBondContact O-CD2 3.28Å; E631-F633 WeakPolarHBondContact O-CE2 3.37Å
632	G	89.4	Confident	84.8	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.1	-178.8	0	0	0	0	0	114.2	H611 H624	H611-G632 WeakPolarHBondContact CB-O 3.01Å; H611-G632 PolarHBondContact N-O 2.85Å; H624-G632 CarbonylContact O-C 3.54Å
633	F	90.9	Very high	84.9	Confident	4 Å²	4	34 Å²	34	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.8	-174.5	-60.2	-89	0	0	0	111.5	H611 K612 H624 C626 E631 C637 C657	H611-F633 HydrophobicContact CB-CD1 4.15Å; H611-F633 HydrophobicContact CB-CE1 3.65Å; H611-F633 HydrophobicContact CB-CE2 4.46Å; H611-F633 HydrophobicContact CB-CZ 3.81Å; K612-F633 HydrophobicContact CB-CD1 3.93Å; K612-F633 HydrophobicContact CB-CE1 3.92Å; H624-F633 WeakPolarHBondContact CB-O 3.11Å; H624-F633 PolarHBondContact N-O 3.28Å; H624-F633 PolarHBondContact O-N 3.18Å; C626-F633 HydrophobicContact CB-CD2 3.88Å; C626-F633 HydrophobicContact CB-CE2 3.48Å; C626-F633 VanDerWaalsContact CB-CE2 3.48Å; C626-F633 HydrophobicContact CB-CZ 4.47Å; E631-F633 VanDerWaalsContact C-CE2 3.48Å; E631-F633 HydrophobicContact CB-CE2 3.55Å; E631-F633 HydrophobicContact CB-CZ 3.78Å; E631-F633 WeakPolarHBondContact O-CD2 3.28Å; E631-F633 WeakPolarHBondContact O-CE2 3.37Å; F633-C637 HydrophobicContact CB-CB 4.28Å; F633-C637 HydrophobicContact CD1-CB 4.17Å; F633-C657 HydrophobicContact CD1-CB 3.8Å; F633-C657 HydrophobicContact CD2-CB 3.88Å; F633-C657 HydrophobicContact CE1-CB 3.51Å; F633-C657 HydrophobicContact CE2-CB 3.61Å; F633-C657 HydrophobicContact CG-CB 3.98Å; F633-C657 HydrophobicContact CZ-CB 3.43Å; F633-C657 VanDerWaalsContact CZ-CB 3.43Å
634	C	88.4	Confident	84.2	Confident	31 Å²	31	31.1 Å²	31.1	21%	0.209	19%	0.189	C	C	.	.			trans	-74.7	164.2	165.1	67.7	0	0	0	0	109.8	C610 F617 G636 C637 S638	C610-C634 HydrophobicContact CB-CB 4.45Å; C610-C634 PolarHBondContact SG-N 3.16Å; C610-C634 VanDerWaalsContact SG-N 3.43Å; F617-C634 HydrophobicContact CE1-CB 3.96Å; F617-C634 HydrophobicContact CZ-CB 4.32Å; C634-G636 VanDerWaalsContact C-N 3.28Å; C634-G636 PolarHBondContact O-N 2.82Å; C634-C637 PolarHBondContact O-N 3.16Å; C634-C637 VanDerWaalsContact O-N 3.13Å; C634-S638 PolarHBondContact O-N 2.91Å; C634-S638 PolarHBondContact O-OG 3.06Å
635	D	85.3	Confident	83.2	Confident	81 Å²	81	31.8 Å²	31.8	43%	0.433	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-56.4	-44.3	-178.5	-173.7	62.6	0	0	0	111.6	H624 C637 S638 S639 R655	H624-D635 PolarHBondContact CD2-N 2.89Å; H624-D635 IonicContact NE2-OD1 3.58Å; D635-C637 VanDerWaalsContact C-N 3.28Å; D635-C637 PolarHBondContact O-N 3.48Å; D635-S638 CarbonylContact O-C 3.54Å; D635-S638 PolarHBondContact O-N 3.22Å; D635-S638 VanDerWaalsContact O-N 3.07Å; D635-S639 PolarHBondContact O-N 3.47Å; D635-R655 IonicContact OD1-CZ 2.68Å; D635-R655 IonicContact OD1-NH1 2.89Å; D635-R655 PolarHBondContact OD1-NH1 3.29Å; D635-R655 IonicContact OD1-NH2 2.78Å; D635-R655 PolarHBondContact OD1-NH2 3.31Å
636	G	86.1	Confident	82.3	Confident	51 Å²	51	36.7 Å²	36.7	53%	0.526	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-61.5	-29.2	179.1	0	0	0	0	0	115	C634	C634-G636 VanDerWaalsContact C-N 3.28Å; C634-G636 PolarHBondContact O-N 2.82Å
637	C	89	Confident	81	Confident	13 Å²	13	42.8 Å²	42.8	9%	0.088	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-92.3	-0.6	178.6	-68.9	0	0	0	0	113.7	K612 F633 C634 D635 C657 D658	K612-C637 HydrophobicContact CB-CB 3.98Å; K612-C637 HydrophobicContact CD-CB 3.98Å; F633-C637 HydrophobicContact CB-CB 4.28Å; F633-C637 HydrophobicContact CD1-CB 4.17Å; C634-C637 PolarHBondContact O-N 3.16Å; C634-C637 VanDerWaalsContact O-N 3.13Å; D635-C637 VanDerWaalsContact C-N 3.28Å; D635-C637 PolarHBondContact O-N 3.48Å; C637-C657 WeakPolarHBondContact O-CA 3.48Å; C637-D658 PolarHBondContact O-N 2.76Å
638	S	91.3	Very high	79.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-141.4	31.6	-177.4	64	0	0	0	0	112.2	C634 D635 K640 R655 V656	C634-S638 PolarHBondContact O-N 2.91Å; C634-S638 PolarHBondContact O-OG 3.06Å; D635-S638 CarbonylContact O-C 3.54Å; D635-S638 PolarHBondContact O-N 3.22Å; D635-S638 VanDerWaalsContact O-N 3.07Å; S638-K640 VanDerWaalsContact C-N 3.28Å; S638-K640 PolarHBondContact O-N 2.88Å; S638-R655 VanDerWaalsContact O-CD 3.23Å; S638-R655 WeakPolarHBondContact O-CD 3.27Å; S638-R655 WeakPolarHBondContact O-CG 3.43Å; S638-R655 PolarHBondContact O-NH1 3.38Å; S638-R655 PolarHBondContact OG-NH1 3Å; S638-V656 WeakPolarHBondContact CA-O 3.14Å
639	S	86	Confident	78	Confident	75 Å²	75	45.3 Å²	45.3	52%	0.524	26%	0.263	S	S	.	.			trans	-78.1	-14	-173.9	56	0	0	0	0	113.3	D635	D635-S639 PolarHBondContact O-N 3.47Å
640	K	86.5	Confident	76.5	Confident	75 Å²	75	44.8 Å²	44.8	33%	0.326	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	161.5	-175.3	-53.5	-177.2	-173	173.9	0	112.1	S638 R655 V656 F661	S638-K640 VanDerWaalsContact C-N 3.28Å; S638-K640 PolarHBondContact O-N 2.88Å; K640-R655 WeakPolarHBondContact O-CA 3.14Å; K640-V656 PolarHBondContact O-N 2.94Å; K640-F661 HydrophobicContact CB-CB 4.11Å; K640-F661 HydrophobicContact CB-CD1 4.27Å; K640-F661 HydrophobicContact CB-CD2 3.48Å; K640-F661 VanDerWaalsContact CB-CD2 3.48Å; K640-F661 HydrophobicContact CB-CE2 3.9Å; K640-F661 HydrophobicContact CB-CG 3.68Å; K640-F661 HydrophobicContact CB-CZ 4.44Å; K640-F661 HydrophobicContact CD-CB 4.14Å; K640-F661 HydrophobicContact CD-CD1 3.35Å; K640-F661 HydrophobicContact CD-CD2 4.16Å; K640-F661 HydrophobicContact CD-CE1 3.68Å; K640-F661 HydrophobicContact CD-CE2 4.43Å; K640-F661 HydrophobicContact CD-CG 3.61Å; K640-F661 HydrophobicContact CD-CZ 4.2Å; K640-F661 HydrophobicContact CG-CD1 4.43Å; K640-F661 HydrophobicContact CG-CD2 4.44Å; K640-F661 HydrophobicContact CG-CG 4.3Å
641	A	84.5	Confident	75	Confident	44 Å²	44	51 Å²	51	36%	0.364	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.3	179.8	0	0	0	0	0	111.6	P653 V654 F661	A641-P653 HydrophobicContact CB-CB 4.12Å; A641-V654 CarbonylContact C-O 3.58Å; A641-V654 WeakPolarHBondContact CA-O 3.35Å; A641-V654 WeakPolarHBondContact CB-O 3.33Å; A641-F661 VanDerWaalsContact O-CE2 3.25Å; A641-F661 WeakPolarHBondContact O-CE2 3.47Å
642	A	78.4	Confident	73.2	Confident	6 Å²	6	51.4 Å²	51.4	5%	0.05	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.5	179.1	0	0	0	0	0	110.4	V654 V656 F661 R664	A642-V654 PolarHBondContact N-O 3.43Å; A642-V654 WeakPolarHBondContact O-CG2 3.44Å; A642-V654 PolarHBondContact O-N 3.33Å; A642-V654 VanDerWaalsContact O-O 3.13Å; A642-V656 HydrophobicContact CB-CG2 3.82Å; A642-F661 HydrophobicContact CB-CD2 3.98Å; A642-F661 HydrophobicContact CB-CE2 4.47Å; A642-R664 HydrophobicContact CB-CB 4.38Å
643	P	72.1	Confident	72.1	Confident	56 Å²	56	55.6 Å²	55.6	36%	0.364	34%	0.337	S	S	.	.			trans	-62.3	143	173.5	-22.5	34.4	0	0	0	112.2	P645 L651 R664	P643-P645 VanDerWaalsContact C-CD 3.48Å; P643-L651 WeakPolarHBondContact CG-O 3.49Å; P643-R664 PolarHBondContact O-NH1 3.38Å
644	V	67	Low	71.3	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.344	C	S	.	.			trans	-136	59.3	178.2	-166.1	0	0	0	0	111.2	A628 E646 R647 W649 G650 V654 V656	A628-V644 HydrophobicContact CB-CG1 4.19Å; A628-V644 HydrophobicContact CB-CG2 4.21Å; V644-E646 VanDerWaalsContact C-N 3.31Å; V644-E646 PolarHBondContact O-N 2.77Å; V644-R647 HydrophobicContact CG1-CB 3.58Å; V644-R647 HydrophobicContact CG1-CG 3.56Å; V644-R647 PolarHBondContact O-N 3.27Å; V644-W649 HydrophobicContact CB-CB 4.1Å; V644-W649 HydrophobicContact CB-CG 4.24Å; V644-W649 WeakPolarHBondContact O-CB 3.49Å; V644-W649 PolarHBondContact O-N 2.9Å; V644-G650 PolarHBondContact N-O 3.04Å; V644-V654 HydrophobicContact CB-CG2 4.11Å; V644-V654 HydrophobicContact CG2-CG2 3.54Å; V644-V656 HydrophobicContact CG2-CG1 3.84Å
645	P	61.2	Low	71.1	Confident	53 Å²	53	58.4 Å²	58.4	34%	0.344	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-63.8	-33.9	-177	26.2	-34.8	0	0	0	113.1	P643 R647 G648 L651	P643-P645 VanDerWaalsContact C-CD 3.48Å; P645-R647 PolarHBondContact O-N 3.28Å; P645-G648 PolarHBondContact O-N 2.88Å; P645-L651 HydrophobicContact CB-CD2 4.39Å; P645-L651 HydrophobicContact CG-CD2 4.35Å
646	E	63.5	Low	71.2	Confident	116 Å²	116	54.6 Å²	54.6	54%	0.542	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-68.8	-16.8	-179	75	-79.5	-165.1	0	0	113.7	V644 R664	V644-E646 VanDerWaalsContact C-N 3.31Å; V644-E646 PolarHBondContact O-N 2.77Å; E646-R664 IonicContact OE1-CZ 2.7Å; E646-R664 IonicContact OE1-NH1 3.69Å; E646-R664 PolarHBondContact OE1-NH1 2.84Å; E646-R664 IonicContact OE1-NH2 3.34Å; E646-R664 PolarHBondContact OE1-NH2 2.9Å; E646-R664 IonicContact OE2-NH1 3.12Å; E646-R664 PolarHBondContact OE2-NH1 3.28Å
647	R	58.1	Low	71.5	Confident	127 Å²	127	52.3 Å²	52.3	48%	0.479	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-103.2	7.8	170.7	-59.1	-67.7	-163.6	178	-1.8	112.6	A628 V644 P645	A628-R647 PolarHBondContact O-NE 3.42Å; V644-R647 HydrophobicContact CG1-CB 3.58Å; V644-R647 HydrophobicContact CG1-CG 3.56Å; V644-R647 PolarHBondContact O-N 3.27Å; P645-R647 PolarHBondContact O-N 3.28Å
648	G	47.3	Very low	71.5	Confident	37 Å²	37	52.3 Å²	52.3	38%	0.381	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	2.7	177.4	0	0	0	0	0	115.9	Y531 P645 G650	Y531-G648 PolarHBondContact OH-O 3.48Å; P645-G648 PolarHBondContact O-N 2.88Å; G648-G650 PolarHBondContact O-N 3.13Å
649	W	54.7	Low	71.5	Confident	86 Å²	86	55.4 Å²	55.4	33%	0.326	32%	0.319	S	S	.	.			trans	-78.8	-4	-178.2	-60.1	97.5	0	0	0	114.3	P598 Y600 W601 R627 V644 V654	P598-W649 HydrophobicContact CG-CZ2 4.43Å; Y600-W649 PolarHBondContact OH-NE1 3Å; W601-W649 HydrophobicContact CZ2-CH2 4.25Å; W601-W649 AromaticContact CZ2-CZ2 3.93Å; W601-W649 HydrophobicContact CZ2-CZ2 3.93Å; R627-W649 HydrophobicContact CB-CD2 4.25Å; R627-W649 HydrophobicContact CB-CG 4.45Å; R627-W649 HydrophobicContact CB-CZ2 4.17Å; R627-W649 HydrophobicContact CG-CD2 4.11Å; R627-W649 HydrophobicContact CG-CE3 4.4Å; R627-W649 HydrophobicContact CG-CH2 4.03Å; R627-W649 HydrophobicContact CG-CZ2 3.68Å; R627-W649 HydrophobicContact CG-CZ3 4.36Å; R627-W649 PolarHBondContact O-NE1 3.23Å; V644-W649 HydrophobicContact CB-CB 4.1Å; V644-W649 HydrophobicContact CB-CG 4.24Å; V644-W649 WeakPolarHBondContact O-CB 3.49Å; V644-W649 PolarHBondContact O-N 2.9Å; W649-V654 HydrophobicContact CB-CG1 4.25Å; W649-V654 HydrophobicContact CB-CG2 3.95Å; W649-V654 HydrophobicContact CD2-CG2 4.5Å; W649-V654 HydrophobicContact CE3-CG1 4.33Å; W649-V654 HydrophobicContact CG-CG2 4.08Å
650	G	51	Low	71.7	Confident	33 Å²	33	52.3 Å²	52.3	34%	0.34	30%	0.297	S	S	.	.			trans	74.4	-166.4	-178.8	0	0	0	0	0	113.7	V644 G648 A652	V644-G650 PolarHBondContact N-O 3.04Å; G648-G650 PolarHBondContact O-N 3.13Å; G650-A652 VanDerWaalsContact C-N 3.34Å
651	L	54.3	Low	71.8	Confident	132 Å²	132	52 Å²	52	69%	0.691	30%	0.296	S	S	*	.	S	Bend	trans	-85.3	-5.2	-176.8	-62.2	176	0	0	0	113.5	P643 P645	P643-L651 WeakPolarHBondContact CG-O 3.49Å; P645-L651 HydrophobicContact CB-CD2 4.39Å; P645-L651 HydrophobicContact CG-CD2 4.35Å
652	A	52.8	Low	71.9	Confident	58 Å²	58	55.5 Å²	55.5	48%	0.479	31%	0.305	S	S	.	.	S	Bend	trans	-75.2	138.9	176.1	0	0	0	0	0	110.9	G650 V654	G650-A652 VanDerWaalsContact C-N 3.34Å; A652-V654 PolarHBondContact O-N 2.9Å
653	P	65.1	Low	72.1	Confident	90 Å²	90	61.1 Å²	61.1	58%	0.584	33%	0.33	S	S	*	.			trans	-68.9	124.7	-179.4	26.5	-32.6	0	0	0	111.3	A641	A641-P653 HydrophobicContact CB-CB 4.12Å
654	V	74.6	Confident	72.2	Confident	28 Å²	28	60.6 Å²	60.6	17%	0.17	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	154	177.5	-65.6	0	0	0	0	110.6	R627 A641 A642 V644 W649 A652 V656	R627-V654 HydrophobicContact CB-CB 4.26Å; R627-V654 HydrophobicContact CB-CG2 3.65Å; R627-V654 HydrophobicContact CG-CB 4.12Å; R627-V654 HydrophobicContact CG-CG2 4.05Å; A641-V654 CarbonylContact C-O 3.58Å; A641-V654 WeakPolarHBondContact CA-O 3.35Å; A641-V654 WeakPolarHBondContact CB-O 3.33Å; A642-V654 PolarHBondContact N-O 3.43Å; A642-V654 WeakPolarHBondContact O-CG2 3.44Å; A642-V654 PolarHBondContact O-N 3.33Å; A642-V654 VanDerWaalsContact O-O 3.13Å; V644-V654 HydrophobicContact CB-CG2 4.11Å; V644-V654 HydrophobicContact CG2-CG2 3.54Å; W649-V654 HydrophobicContact CB-CG1 4.25Å; W649-V654 HydrophobicContact CB-CG2 3.95Å; W649-V654 HydrophobicContact CD2-CG2 4.5Å; W649-V654 HydrophobicContact CE3-CG1 4.33Å; W649-V654 HydrophobicContact CG-CG2 4.08Å; A652-V654 PolarHBondContact O-N 2.9Å; V654-V656 PolarHBondContact O-N 3.07Å
655	R	85	Confident	72	Confident	66 Å²	66	63.4 Å²	63.4	25%	0.249	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	126	-174	-177.9	-175	-78.4	-114.3	8.9	112.6	R627 D635 S638 K640	R627-R655 WeakPolarHBondContact CD-O 3.41Å; R627-R655 PolarHBondContact N-O 3.23Å; D635-R655 IonicContact OD1-CZ 2.68Å; D635-R655 IonicContact OD1-NH1 2.89Å; D635-R655 PolarHBondContact OD1-NH1 3.29Å; D635-R655 IonicContact OD1-NH2 2.78Å; D635-R655 PolarHBondContact OD1-NH2 3.31Å; S638-R655 VanDerWaalsContact O-CD 3.23Å; S638-R655 WeakPolarHBondContact O-CD 3.27Å; S638-R655 WeakPolarHBondContact O-CG 3.43Å; S638-R655 PolarHBondContact O-NH1 3.38Å; S638-R655 PolarHBondContact OG-NH1 3Å; K640-R655 WeakPolarHBondContact O-CA 3.14Å
656	V	86.3	Confident	71.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.4	177.6	-70.1	0	0	0	0	109.8	A628 S638 K640 A642 V644 V654 C660 F661	A628-V656 HydrophobicContact CB-CG1 3.89Å; S638-V656 WeakPolarHBondContact CA-O 3.14Å; K640-V656 PolarHBondContact O-N 2.94Å; A642-V656 HydrophobicContact CB-CG2 3.82Å; V644-V656 HydrophobicContact CG2-CG1 3.84Å; V654-V656 PolarHBondContact O-N 3.07Å; V656-C660 HydrophobicContact CB-CB 3.91Å; V656-C660 HydrophobicContact CG1-CB 4.4Å; V656-F661 HydrophobicContact CG2-CB 3.78Å; V656-F661 HydrophobicContact CG2-CD2 4.07Å; V656-F661 HydrophobicContact CG2-CG 4.45Å
657	C	92.3	Very high	71.5	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.02	35%	0.35	C	S	.	.			trans	-67.2	158.3	168.9	69.1	0	0	0	0	110.3	C626 F633 C637 V659 C660 F661	C626-C657 HydrophobicContact CB-CB 4.14Å; C626-C657 PolarHBondContact SG-N 3.35Å; F633-C657 HydrophobicContact CD1-CB 3.8Å; F633-C657 HydrophobicContact CD2-CB 3.88Å; F633-C657 HydrophobicContact CE1-CB 3.51Å; F633-C657 HydrophobicContact CE2-CB 3.61Å; F633-C657 HydrophobicContact CG-CB 3.98Å; F633-C657 HydrophobicContact CZ-CB 3.43Å; F633-C657 VanDerWaalsContact CZ-CB 3.43Å; C637-C657 WeakPolarHBondContact O-CA 3.48Å; C657-V659 PolarHBondContact O-N 3.06Å; C657-V659 VanDerWaalsContact O-N 3.14Å; C657-C660 PolarHBondContact O-N 3.45Å; C657-C660 PolarHBondContact SG-N 3.45Å; C657-F661 PolarHBondContact O-N 3.2Å
658	D	90.4	Very high	71.3	Confident	13 Å²	13	62.1 Å²	62.1	7%	0.07	35%	0.352	C	S	.	.	H	α-helix	trans	-55.7	-36.5	-177.1	-59.7	-39.5	0	0	0	113	K612 C637 F661 E662	K612-D658 HydrophobicContact CD-CB 4.37Å; K612-D658 VanDerWaalsContact NZ-CB 3.32Å; K612-D658 IonicContact NZ-OD2 3.57Å; K612-D658 PolarHBondContact NZ-OD2 3.32Å; C637-D658 PolarHBondContact O-N 2.76Å; D658-F661 WeakPolarHBondContact O-CB 3.34Å; D658-F661 PolarHBondContact O-N 3.34Å; D658-E662 WeakPolarHBondContact O-CG 3.28Å; D658-E662 PolarHBondContact O-N 3.23Å
659	V	91	Very high	71.7	Confident	65 Å²	65	67.5 Å²	67.5	39%	0.394	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-46.5	178.2	-179.6	0	0	0	0	111.1	C657 F661 E662 Q663	C657-V659 PolarHBondContact O-N 3.06Å; C657-V659 VanDerWaalsContact O-N 3.14Å; V659-F661 VanDerWaalsContact C-N 3.27Å; V659-F661 PolarHBondContact O-N 2.89Å; V659-E662 PolarHBondContact O-N 3.33Å; V659-Q663 VanDerWaalsContact O-CG 3.29Å; V659-Q663 WeakPolarHBondContact O-CG 3.26Å; V659-Q663 PolarHBondContact O-N 3.12Å; V659-Q663 VanDerWaalsContact O-N 3.07Å
660	C	89.9	Confident	71.6	Confident	11 Å²	11	67.5 Å²	67.5	7%	0.074	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-30.3	176.8	-76.9	0	0	0	0	111.8	A628 V656 C657 R664	A628-C660 HydrophobicContact CB-CB 3.88Å; V656-C660 HydrophobicContact CB-CB 3.91Å; V656-C660 HydrophobicContact CG1-CB 4.4Å; C657-C660 PolarHBondContact O-N 3.45Å; C657-C660 PolarHBondContact SG-N 3.45Å; C660-R664 WeakPolarHBondContact O-CB 3.17Å; C660-R664 WeakPolarHBondContact O-CD 3.36Å; C660-R664 WeakPolarHBondContact O-CG 3.28Å; C660-R664 PolarHBondContact O-N 2.47Å; C660-R664 PolarHBondContact O-NE 3.24Å
661	F	88.8	Confident	71.7	Confident	68 Å²	68	69 Å²	69	30%	0.298	37%	0.373	S	S	.	.	H	α-helix	trans	-67.3	-48	174.6	-174.8	-93.1	0	0	0	111.6	K640 A641 A642 V656 C657 D658 V659 R664 A665	K640-F661 HydrophobicContact CB-CB 4.11Å; K640-F661 HydrophobicContact CB-CD1 4.27Å; K640-F661 HydrophobicContact CB-CD2 3.48Å; K640-F661 VanDerWaalsContact CB-CD2 3.48Å; K640-F661 HydrophobicContact CB-CE2 3.9Å; K640-F661 HydrophobicContact CB-CG 3.68Å; K640-F661 HydrophobicContact CB-CZ 4.44Å; K640-F661 HydrophobicContact CD-CB 4.14Å; K640-F661 HydrophobicContact CD-CD1 3.35Å; K640-F661 HydrophobicContact CD-CD2 4.16Å; K640-F661 HydrophobicContact CD-CE1 3.68Å; K640-F661 HydrophobicContact CD-CE2 4.43Å; K640-F661 HydrophobicContact CD-CG 3.61Å; K640-F661 HydrophobicContact CD-CZ 4.2Å; K640-F661 HydrophobicContact CG-CD1 4.43Å; K640-F661 HydrophobicContact CG-CD2 4.44Å; K640-F661 HydrophobicContact CG-CG 4.3Å; A641-F661 VanDerWaalsContact O-CE2 3.25Å; A641-F661 WeakPolarHBondContact O-CE2 3.47Å; A642-F661 HydrophobicContact CB-CD2 3.98Å; A642-F661 HydrophobicContact CB-CE2 4.47Å; V656-F661 HydrophobicContact CG2-CB 3.78Å; V656-F661 HydrophobicContact CG2-CD2 4.07Å; V656-F661 HydrophobicContact CG2-CG 4.45Å; C657-F661 PolarHBondContact O-N 3.2Å; D658-F661 WeakPolarHBondContact O-CB 3.34Å; D658-F661 PolarHBondContact O-N 3.34Å; V659-F661 VanDerWaalsContact C-N 3.27Å; V659-F661 PolarHBondContact O-N 2.89Å; F661-R664 PolarHBondContact O-N 3.47Å; F661-A665 PolarHBondContact O-N 3.4Å; F661-A665 VanDerWaalsContact O-N 3.1Å
662	E	86.2	Confident	71.7	Confident	118 Å²	118	65.1 Å²	65.1	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-65.7	-41.3	-179.2	-74.5	165.6	-164.1	0	0	112.3	D658 V659 R664 A665	D658-E662 WeakPolarHBondContact O-CG 3.28Å; D658-E662 PolarHBondContact O-N 3.23Å; V659-E662 PolarHBondContact O-N 3.33Å; E662-R664 PolarHBondContact O-N 2.95Å; E662-A665 WeakPolarHBondContact O-CB 3.25Å; E662-A665 PolarHBondContact O-N 3.01Å
663	Q	83.2	Confident	71.6	Confident	124 Å²	124	65.4 Å²	65.4	58%	0.579	36%	0.359	S	S	*	.	H	α-helix	trans	-61.5	-34.6	175.9	-72.7	171.8	-8.9	0	0	112.4	V659 S666	V659-Q663 VanDerWaalsContact O-CG 3.29Å; V659-Q663 WeakPolarHBondContact O-CG 3.26Å; V659-Q663 PolarHBondContact O-N 3.12Å; V659-Q663 VanDerWaalsContact O-N 3.07Å; Q663-S666 PolarHBondContact O-OG 3.4Å
664	R	74.3	Confident	70.8	Confident	45 Å²	45	67.5 Å²	67.5	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-85.2	-15.8	-178.3	-68.2	168.4	-168.4	-92.1	-17.2	113.9	A642 P643 E646 C660 F661 E662 S666 Y667 A668	A642-R664 HydrophobicContact CB-CB 4.38Å; P643-R664 PolarHBondContact O-NH1 3.38Å; E646-R664 IonicContact OE1-CZ 2.7Å; E646-R664 IonicContact OE1-NH1 3.69Å; E646-R664 PolarHBondContact OE1-NH1 2.84Å; E646-R664 IonicContact OE1-NH2 3.34Å; E646-R664 PolarHBondContact OE1-NH2 2.9Å; E646-R664 IonicContact OE2-NH1 3.12Å; E646-R664 PolarHBondContact OE2-NH1 3.28Å; C660-R664 WeakPolarHBondContact O-CB 3.17Å; C660-R664 WeakPolarHBondContact O-CD 3.36Å; C660-R664 WeakPolarHBondContact O-CG 3.28Å; C660-R664 PolarHBondContact O-N 2.47Å; C660-R664 PolarHBondContact O-NE 3.24Å; F661-R664 PolarHBondContact O-N 3.47Å; E662-R664 PolarHBondContact O-N 2.95Å; R664-S666 PolarHBondContact O-N 2.81Å; R664-Y667 PolarHBondContact O-N 2.82Å; R664-Y667 VanDerWaalsContact O-N 3.11Å; R664-A668 PolarHBondContact O-N 2.94Å
665	A	62.3	Low	69.4	Low	58 Å²	58	72.5 Å²	72.5	48%	0.479	39%	0.386	S	S	.	.	H	α-helix	trans	-59.7	-33.9	171.1	0	0	0	0	0	111.3	F661 E662	F661-A665 PolarHBondContact O-N 3.4Å; F661-A665 VanDerWaalsContact O-N 3.1Å; E662-A665 WeakPolarHBondContact O-CB 3.25Å; E662-A665 PolarHBondContact O-N 3.01Å
666	S	58	Low	67.5	Low	68 Å²	68	76.5 Å²	76.5	48%	0.476	41%	0.407	S	S	.	.	H	α-helix	trans	-72.6	-27	174.3	72.8	0	0	0	0	114.3	Q663 R664	Q663-S666 PolarHBondContact O-OG 3.4Å; R664-S666 PolarHBondContact O-N 2.81Å
667	Y	55.9	Low	65.4	Low	137 Å²	137	85.4 Å²	85.4	54%	0.537	45%	0.449	S	S	.	.	H	α-helix	trans	-80.7	-26.8	-177.8	-162.6	-100.3	0	0	0	112.3	R664 I670 L671	R664-Y667 PolarHBondContact O-N 2.82Å; R664-Y667 VanDerWaalsContact O-N 3.11Å; Y667-I670 PolarHBondContact O-N 2.67Å; Y667-L671 HydrophobicContact CD1-CD1 3.59Å; Y667-L671 HydrophobicContact CE1-CD1 3.41Å; Y667-L671 VanDerWaalsContact CE1-CD1 3.41Å; Y667-L671 HydrophobicContact CE1-CG 4.43Å; Y667-L671 PolarHBondContact O-N 3.15Å; Y667-L671 VanDerWaalsContact O-N 3.13Å
668	A	54.7	Low	62.9	Low	64 Å²	64	93.9 Å²	93.9	53%	0.529	49%	0.488	S	S	.	.	H	α-helix	trans	-68.9	-31.7	175.1	0	0	0	0	0	112.8	R664 A672	R664-A668 PolarHBondContact O-N 2.94Å; A668-A672 WeakPolarHBondContact O-CB 3.31Å; A668-A672 PolarHBondContact O-N 3.19Å; A668-A672 VanDerWaalsContact O-N 3.17Å
669	E	54.8	Low	60.4	Low	151 Å²	151	102.3 Å²	102.3	71%	0.706	53%	0.527	S	S	*	.	H	α-helix	trans	-69.9	-35.8	173.6	-76.3	177.6	160.8	0	0	112	A672 S673	E669-A672 PolarHBondContact O-N 3.45Å; E669-S673 PolarHBondContact O-N 3.13Å
670	I	53.6	Low	57.6	Low	86 Å²	86	103.1 Å²	103.1	44%	0.441	55%	0.548	S	S	.	.	H	α-helix	trans	-70	-44.7	178	-62.5	170.1	0	0	0	110.8	Y667 A672 S673 E674	Y667-I670 PolarHBondContact O-N 2.67Å; I670-A672 VanDerWaalsContact C-N 3.28Å; I670-A672 PolarHBondContact O-N 3.1Å; I670-S673 PolarHBondContact O-N 3.36Å; I670-S673 VanDerWaalsContact O-N 3.12Å; I670-S673 PolarHBondContact O-OG 2.99Å; I670-E674 PolarHBondContact O-N 3.12Å; I670-E674 VanDerWaalsContact O-N 3.1Å
671	L	52.4	Low	54.8	Low	63 Å²	63	105.7 Å²	105.7	33%	0.33	58%	0.577	S	S	.	*	H	α-helix	trans	-63	-31.8	175.2	-102.4	147.2	0	0	0	113.2	Y667 L675	Y667-L671 HydrophobicContact CD1-CD1 3.59Å; Y667-L671 HydrophobicContact CE1-CD1 3.41Å; Y667-L671 VanDerWaalsContact CE1-CD1 3.41Å; Y667-L671 HydrophobicContact CE1-CG 4.43Å; Y667-L671 PolarHBondContact O-N 3.15Å; Y667-L671 VanDerWaalsContact O-N 3.13Å; L671-L675 WeakPolarHBondContact O-CD1 3.44Å; L671-L675 VanDerWaalsContact O-CG 3.27Å; L671-L675 WeakPolarHBondContact O-CG 3.21Å; L671-L675 PolarHBondContact O-N 3.22Å
672	A	53.6	Low	52.5	Low	52 Å²	52	109.8 Å²	109.8	43%	0.43	61%	0.607	S	S	.	*	H	α-helix	trans	-68.2	-37.3	173.8	0	0	0	0	0	111.6	A668 E669 I670 L675	A668-A672 WeakPolarHBondContact O-CB 3.31Å; A668-A672 PolarHBondContact O-N 3.19Å; A668-A672 VanDerWaalsContact O-N 3.17Å; E669-A672 PolarHBondContact O-N 3.45Å; I670-A672 VanDerWaalsContact C-N 3.28Å; I670-A672 PolarHBondContact O-N 3.1Å; A672-L675 PolarHBondContact O-N 2.65Å
673	S	52.1	Low	50.1	Low	64 Å²	64	111 Å²	111	45%	0.448	62%	0.617	S	S	.	*	H	α-helix	trans	-71.8	-34.2	177.7	67.7	0	0	0	0	114.1	E669 I670 L675 E676	E669-S673 PolarHBondContact O-N 3.13Å; I670-S673 PolarHBondContact O-N 3.36Å; I670-S673 VanDerWaalsContact O-N 3.12Å; I670-S673 PolarHBondContact O-OG 2.99Å; S673-L675 PolarHBondContact O-N 3.23Å; S673-E676 PolarHBondContact O-N 3.46Å
674	E	47.5	Very low	47.7	Very low	133 Å²	133	109.2 Å²	109.2	62%	0.621	62%	0.624	S	S	*	*	H	α-helix	trans	-70.9	-18.6	176.1	-72.5	178.9	160	0	0	113	I670	I670-E674 PolarHBondContact O-N 3.12Å; I670-E674 VanDerWaalsContact O-N 3.1Å
675	L	45.8	Very low	45.9	Very low	133 Å²	133	116.8 Å²	116.8	70%	0.696	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-11.6	178	-71.7	167.7	0	0	0	113.6	L671 A672 S673	L671-L675 WeakPolarHBondContact O-CD1 3.44Å; L671-L675 VanDerWaalsContact O-CG 3.27Å; L671-L675 WeakPolarHBondContact O-CG 3.21Å; L671-L675 PolarHBondContact O-N 3.22Å; A672-L675 PolarHBondContact O-N 2.65Å; S673-L675 PolarHBondContact O-N 3.23Å
676	E	45.2	Very low	44.4	Very low	151 Å²	151	122.6 Å²	122.6	71%	0.706	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-18.9	180	-73.9	-177.4	176.9	0	0	113.4	S673	S673-E676 PolarHBondContact O-N 3.46Å
677	E	41.6	Very low	43.3	Very low	187 Å²	187	124.1 Å²	124.1	87%	0.874	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-11.1	-179	-73.6	-169.6	165.4	0	0	115
678	E	40.2	Very low	42.2	Very low	181 Å²	181	119.9 Å²	119.9	85%	0.846	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	42.8	175.4	-73.5	-164.3	158.5	0	0	113.3	G680	E678-G680 PolarHBondContact O-N 3.27Å
679	E	36.8	Very low	41.2	Very low	190 Å²	190	123.9 Å²	123.9	89%	0.888	68%	0.678	S	S	*	*			trans	-73.4	86.6	170.8	-100.1	-166.1	160.1	0	0	112
680	G	33.9	Very low	40.1	Very low	81 Å²	81	120.6 Å²	120.6	84%	0.835	68%	0.678	S	S	*	*			trans	-172.2	34.8	175.1	0	0	0	0	0	116.2	E678	E678-G680 PolarHBondContact O-N 3.27Å
681	G	29.7	Very low	39.2	Very low	65 Å²	65	120.5 Å²	120.5	67%	0.67	68%	0.68	S	S	*	*			trans	-164.4	89.1	-178.2	0	0	0	0	0	115.4	L683	G681-L683 VanDerWaalsContact C-N 3.32Å; G681-L683 PolarHBondContact O-N 2.85Å
682	T	40	Very low	38.4	Very low	154 Å²	154	121.8 Å²	121.8	95%	0.945	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	82.1	168.9	34.7	0	0	0	0	111.8
683	L	37.1	Very low	37.3	Very low	144 Å²	144	126.7 Å²	126.7	75%	0.754	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.2	-8.3	163.1	-159.8	64.2	0	0	0	114.5	G681 R685	G681-L683 VanDerWaalsContact C-N 3.32Å; G681-L683 PolarHBondContact O-N 2.85Å; L683-R685 PolarHBondContact O-N 2.81Å
684	A	32.8	Very low	36.3	Very low	87 Å²	87	129.9 Å²	129.9	72%	0.719	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-76	-18.5	179.2	0	0	0	0	0	114.3	K686	A684-K686 VanDerWaalsContact C-N 3.33Å; A684-K686 PolarHBondContact O-N 3.49Å
685	R	36.1	Very low	35.6	Very low	204 Å²	204	129.3 Å²	129.3	77%	0.77	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-79.7	-4.3	-175.8	-155	174.5	66.1	82.9	-4.2	115.2	L683	L683-R685 PolarHBondContact O-N 2.81Å
686	K	31.4	Very low	34.8	Very low	180 Å²	180	126 Å²	126	78%	0.783	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-109.1	-5.1	176.8	-85.3	-172.4	174.2	-177.5	0	115.2	A684	A684-K686 VanDerWaalsContact C-N 3.33Å; A684-K686 PolarHBondContact O-N 3.49Å
687	V	34.8	Very low	34	Very low	100 Å²	100	125 Å²	125	61%	0.606	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-22.2	171.8	-177.3	0	0	0	0	111.2	E689	V687-E689 PolarHBondContact O-N 3.25Å
688	G	32.9	Very low	33.5	Very low	48 Å²	48	122.7 Å²	122.7	50%	0.495	73%	0.728	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-19.3	-179	0	0	0	0	0	116.7	T692	G688-T692 PolarHBondContact O-OG1 2.99Å
689	E	34	Very low	33.2	Very low	147 Å²	147	118.4 Å²	118.4	69%	0.687	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-13.4	-179.3	-75.5	179.5	166.3	0	0	113.8	V687 T692	V687-E689 PolarHBondContact O-N 3.25Å; E689-T692 PolarHBondContact O-OG1 3.38Å
690	A	31	Very low	33	Very low	83 Å²	83	114.9 Å²	114.9	69%	0.686	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-12.5	-179.5	0	0	0	0	0	113.9
691	V	33.8	Very low	32.8	Very low	83 Å²	83	114.4 Å²	114.4	50%	0.503	70%	0.703	S	S	.	*	S	Bend	trans	-93.8	-9.3	178.1	-178.8	0	0	0	0	112	I695	V691-I695 HydrophobicContact CG1-CD1 3.67Å
692	T	36.2	Very low	33.1	Very low	91 Å²	91	119.6 Å²	119.6	56%	0.558	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-13.5	-173.3	27.7	0	0	0	0	116	G688 E689	G688-T692 PolarHBondContact O-OG1 2.99Å; E689-T692 PolarHBondContact O-OG1 3.38Å
693	N	31.5	Very low	32.9	Very low	154 Å²	154	119.5 Å²	119.5	82%	0.824	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	10.1	-176.6	-81.2	-14.8	0	0	0	116.1
694	T	31.1	Very low	32.7	Very low	131 Å²	131	118 Å²	118	80%	0.804	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	-4	173.5	-39.9	0	0	0	0	113.9
695	I	31.8	Very low	32.6	Very low	121 Å²	121	118.5 Å²	118.5	62%	0.621	69%	0.694	S	S	*	*	S	Bend	trans	-105.7	0.4	-179.9	-62.8	-177.9	0	0	0	112.3	V691 V697	V691-I695 HydrophobicContact CG1-CD1 3.67Å; I695-V697 PolarHBondContact O-N 3.07Å
696	G	29.8	Very low	32.5	Very low	64 Å²	64	115.2 Å²	115.2	66%	0.66	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-0.7	-174.5	0	0	0	0	0	117.7
697	V	28.1	Very low	32.4	Very low	129 Å²	129	108.7 Å²	108.7	78%	0.782	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-2.3	-171.5	-169.7	0	0	0	0	114.2	I695	I695-V697 PolarHBondContact O-N 3.07Å
698	V	31.3	Very low	32.4	Very low	140 Å²	140	110.3 Å²	110.3	85%	0.848	68%	0.68	S	S	*	*	S	Bend	trans	-109.1	-2.8	-175.7	-169	0	0	0	0	114
699	A	33.2	Very low	32.4	Very low	90 Å²	90	113 Å²	113	74%	0.744	68%	0.681	S	S	*	*	S	Bend	trans	-92.3	-5.8	-174	0	0	0	0	0	115.4
700	T	33.2	Very low	32.5	Very low	117 Å²	117	111.3 Å²	111.3	72%	0.718	67%	0.671	S	S	*	*	S	Bend	trans	-127.7	118.8	-177.9	54.1	0	0	0	0	111.3
701	A	30.1	Very low	32.6	Very low	70 Å²	70	111.5 Å²	111.5	58%	0.579	66%	0.661	S	S	*	*			trans	74.4	107.4	166.6	0	0	0	0	0	117.1	D703	A701-D703 PolarHBondContact O-N 3.12Å
702	I	34.9	Very low	32.5	Very low	174 Å²	174	112 Å²	112	89%	0.892	67%	0.673	S	S	*	*	S	Bend	trans	-79	72.1	141.9	-57.2	177.6	0	0	0	106.3
703	D	35.7	Very low	32.5	Very low	152 Å²	152	108.4 Å²	108.4	81%	0.813	65%	0.653	S	S	*	*			trans	-141.4	67.8	147.6	-92.9	-29.2	0	0	0	104.2	A701	A701-D703 PolarHBondContact O-N 3.12Å
704	I	33.4	Very low	33.1	Very low	113 Å²	113	104.7 Å²	104.7	58%	0.579	63%	0.627	S	S	*	*			trans	-85.5	125.9	175.4	-62.5	177.7	0	0	0	107.7	L706	I704-L706 PolarHBondContact O-N 3Å
705	P	30.2	Very low	33.9	Very low	97 Å²	97	98.5 Å²	98.5	63%	0.63	59%	0.589	S	S	*	*			trans	-68.3	132.2	175.7	27.4	-31	0	0	0	109.5	G707 L708	P705-G707 PolarHBondContact O-N 3.44Å; P705-L708 PolarHBondContact O-N 3.23Å
706	L	33.6	Very low	34.6	Very low	135 Å²	135	97.3 Å²	97.3	71%	0.707	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.9	-10.2	178.2	-81.5	143.8	0	0	0	116.3	I704 K710	I704-L706 PolarHBondContact O-N 3Å; L706-K710 WeakPolarHBondContact O-CD 3.49Å; L706-K710 WeakPolarHBondContact O-CG 3.48Å
707	G	31	Very low	35.9	Very low	43 Å²	43	96.7 Å²	96.7	44%	0.443	58%	0.575	S	S	.	*	H	α-helix	trans	-72.3	-42	177.1	0	0	0	0	0	114	P705 M709 K710	P705-G707 PolarHBondContact O-N 3.44Å; G707-M709 PolarHBondContact O-N 2.73Å; G707-K710 PolarHBondContact O-N 3.17Å
708	L	33.3	Very low	37.9	Very low	135 Å²	135	91.3 Å²	91.3	71%	0.707	54%	0.541	S	S	*	.	H	α-helix	trans	-76.1	-26.6	-171.1	-135.7	114.4	0	0	0	113.3	P705	P705-L708 PolarHBondContact O-N 3.23Å
709	M	34.3	Very low	39.4	Very low	103 Å²	103	86.1 Å²	86.1	51%	0.507	51%	0.51	S	S	.	.	H	α-helix	trans	-76.3	-24.4	173.6	-78.5	-84.2	-81.2	0	0	113	G707 A713	G707-M709 PolarHBondContact O-N 2.73Å; M709-A713 WeakPolarHBondContact O-CB 3.33Å; M709-A713 PolarHBondContact O-N 3.06Å
710	K	34.8	Very low	40.6	Very low	113 Å²	113	83.3 Å²	83.3	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-70.8	-34	179.8	-79	176	179	-174.1	0	112.3	L706 G707 R714	L706-K710 WeakPolarHBondContact O-CD 3.49Å; L706-K710 WeakPolarHBondContact O-CG 3.48Å; G707-K710 PolarHBondContact O-N 3.17Å; K710-R714 WeakPolarHBondContact O-CB 3.26Å; K710-R714 PolarHBondContact O-N 2.88Å
711	D	32.5	Very low	41.7	Very low	87 Å²	87	80.7 Å²	80.7	47%	0.465	47%	0.465	S	S	.	.	H	α-helix	trans	-79.6	-27.7	-179.3	-73.1	-40.1	0	0	0	113.4	R714	D711-R714 IonicContact OD1-NH1 2.71Å; D711-R714 PolarHBondContact OD1-NH1 3.17Å
712	A	32.8	Very low	43.2	Very low	93 Å²	93	84.5 Å²	84.5	77%	0.769	47%	0.471	S	S	*	.	H	α-helix	trans	-84.2	-18.5	176.3	0	0	0	0	0	114
713	A	36.1	Very low	44.8	Very low	15 Å²	15	81.3 Å²	81.3	12%	0.124	46%	0.456	C	S	.	.	H	α-helix	trans	-105.7	-3.9	-179.4	0	0	0	0	0	114.1	A563 Q564 L567 M709	A563-A713 HydrophobicContact CB-CB 3.83Å; Q564-A713 PolarHBondContact OE1-O 3.35Å; L567-A713 HydrophobicContact CD1-CB 4.31Å; M709-A713 WeakPolarHBondContact O-CB 3.33Å; M709-A713 PolarHBondContact O-N 3.06Å
714	R	43.6	Very low	46.7	Very low	77 Å²	77	74.3 Å²	74.3	29%	0.291	42%	0.419	S	S	.	.	S	Bend	trans	-65	126.4	-178.3	-173.4	178.7	72	-139.7	-3.1	111.2	K710 D711 A716 W718 P720	K710-R714 WeakPolarHBondContact O-CB 3.26Å; K710-R714 PolarHBondContact O-N 2.88Å; D711-R714 IonicContact OD1-NH1 2.71Å; D711-R714 PolarHBondContact OD1-NH1 3.17Å; R714-A716 PolarHBondContact O-N 2.6Å; R714-W718 HydrophobicContact CG-CB 3.75Å; R714-W718 HydrophobicContact CG-CE3 4.16Å; R714-W718 HydrophobicContact CG-CG 4.45Å; R714-P720 VanDerWaalsContact NH1-CA 3.35Å; R714-P720 VanDerWaalsContact NH1-CB 3.28Å
715	P	47.8	Very low	48.8	Very low	1 Å²	1	74.4 Å²	74.4	1%	0.006	42%	0.42	C	S	.	.			trans	-56	137.3	172.6	-24.7	33.7	0	0	0	111.4	N561 Q564 Y717 W718	N561-P715 WeakPolarHBondContact OD1-CG 3.38Å; Q564-P715 HydrophobicContact CB-CG 4.47Å; Q564-P715 HydrophobicContact CG-CG 4.37Å; P715-Y717 HydrophobicContact CB-CD1 3.49Å; P715-Y717 VanDerWaalsContact CB-CD1 3.49Å; P715-Y717 HydrophobicContact CB-CE1 3.26Å; P715-Y717 HydrophobicContact CG-CE1 4.06Å; P715-Y717 PolarHBondContact O-N 3.45Å; P715-W718 HydrophobicContact CB-CG 4.2Å; P715-W718 HydrophobicContact CG-CD2 4.05Å; P715-W718 HydrophobicContact CG-CG 4.24Å; P715-W718 HydrophobicContact CG-CZ2 4.22Å; P715-W718 WeakPolarHBondContact O-CB 3.29Å; P715-W718 PolarHBondContact O-N 3.37Å
716	A	47.6	Very low	51.4	Low	95 Å²	95	73.7 Å²	73.7	79%	0.785	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.4	-175.2	0	0	0	0	0	114.1	R714	R714-A716 PolarHBondContact O-N 2.6Å
717	Y	56.3	Low	54.1	Low	51 Å²	51	67.2 Å²	67.2	20%	0.2	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.6	177.1	75	-82.7	0	0	0	113.9	P715 R744	P715-Y717 HydrophobicContact CB-CD1 3.49Å; P715-Y717 VanDerWaalsContact CB-CD1 3.49Å; P715-Y717 HydrophobicContact CB-CE1 3.26Å; P715-Y717 HydrophobicContact CG-CE1 4.06Å; P715-Y717 PolarHBondContact O-N 3.45Å; Y717-R744 PolarHBondContact OH-O 3.45Å
718	W	70.6	Confident	56.9	Low	16 Å²	16	69.5 Å²	69.5	6%	0.061	38%	0.375	C	S	.	.	S	Bend	trans	-82.6	134	176.7	-75.3	19.3	0	0	0	110.8	Q564 R714 P715 H742 R744 G747	Q564-W718 HydrophobicContact CG-CH2 4.23Å; R714-W718 HydrophobicContact CG-CB 3.75Å; R714-W718 HydrophobicContact CG-CE3 4.16Å; R714-W718 HydrophobicContact CG-CG 4.45Å; P715-W718 HydrophobicContact CB-CG 4.2Å; P715-W718 HydrophobicContact CG-CD2 4.05Å; P715-W718 HydrophobicContact CG-CG 4.24Å; P715-W718 HydrophobicContact CG-CZ2 4.22Å; P715-W718 WeakPolarHBondContact O-CB 3.29Å; P715-W718 PolarHBondContact O-N 3.37Å; W718-H742 HydrophobicContact CD2-CB 3.58Å; W718-H742 AromaticContact CD2-CD2 3.74Å; W718-H742 AromaticContact CD2-CG 3.64Å; W718-H742 HydrophobicContact CE3-CB 3.6Å; W718-H742 AromaticContact CE3-CD2 3.54Å; W718-H742 AromaticContact CE3-CG 3.29Å; W718-H742 AromaticContact CE3-ND1 3.66Å; W718-H742 AromaticContact CE3-NE2 3.98Å; W718-H742 HydrophobicContact CG-CB 4.23Å; W718-H742 AromaticContact CG-CD2 3.89Å; W718-H742 HydrophobicContact CH2-CB 4Å; W718-H742 HydrophobicContact CZ2-CB 3.97Å; W718-H742 HydrophobicContact CZ3-CB 3.81Å; W718-H742 AromaticContact CZ3-CG 3.72Å; W718-H742 AromaticContact CZ3-ND1 3.76Å; W718-R744 HydrophobicContact CZ2-CG 4.17Å; W718-G747 WeakPolarHBondContact CA-O 3.38Å; W718-G747 VanDerWaalsContact CD1-CA 3.45Å
719	V	63.4	Low	59.6	Low	32 Å²	32	66.6 Å²	66.6	19%	0.194	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.5	129.9	170.8	-174	0	0	0	0	108.1	D723 I724 H742 G747	V719-D723 HydrophobicContact CG1-CB 3.79Å; V719-I724 HydrophobicContact CB-CD1 4.13Å; V719-I724 HydrophobicContact CB-CG1 3.82Å; V719-I724 HydrophobicContact CG1-CD1 4.44Å; V719-I724 HydrophobicContact CG1-CG1 3.65Å; V719-I724 WeakPolarHBondContact O-CD1 3.47Å; V719-H742 PolarHBondContact O-NE2 3.02Å; V719-G747 PolarHBondContact N-O 3.44Å
720	P	58.2	Low	62.2	Low	30 Å²	30	63.9 Å²	63.9	20%	0.195	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-54.2	142.3	175.1	-25.5	34.5	0	0	0	112.1	R714 Q722 D723 I724	R714-P720 VanDerWaalsContact NH1-CA 3.35Å; R714-P720 VanDerWaalsContact NH1-CB 3.28Å; P720-Q722 PolarHBondContact O-N 3.25Å; P720-D723 HydrophobicContact CB-CB 4.3Å; P720-D723 WeakPolarHBondContact CB-OD2 3.45Å; P720-D723 WeakPolarHBondContact CD-OD2 3.29Å; P720-D723 WeakPolarHBondContact CG-OD2 3.15Å; P720-D723 PolarHBondContact O-N 3.1Å; P720-I724 WeakPolarHBondContact O-CG1 3.37Å; P720-I724 PolarHBondContact O-N 3.36Å; P720-I724 VanDerWaalsContact O-N 3.17Å
721	D	55.8	Low	65	Low	62 Å²	62	64 Å²	64	33%	0.332	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.5	-178.8	-71	19.8	0	0	0	112.9	K740 H742	D721-K740 PolarHBondContact O-NZ 3.49Å; D721-H742 IonicContact OD1-CE1 3.05Å; D721-H742 PolarHBondContact OD1-CE1 3.31Å; D721-H742 IonicContact OD1-NE2 3.51Å; D721-H742 PolarHBondContact OD1-NE2 3.38Å; D721-H742 VanDerWaalsContact OD1-NE2 3.12Å
722	Q	61.9	Low	67.6	Low	150 Å²	150	64.5 Å²	64.5	70%	0.701	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-30	176.9	-58.3	179.4	24.6	0	0	112	P720	P720-Q722 PolarHBondContact O-N 3.25Å
723	D	67.4	Low	70.2	Confident	107 Å²	107	66.5 Å²	66.5	57%	0.572	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.9	-178.7	-60	-23.7	0	0	0	112.3	V719 P720 L725	V719-D723 HydrophobicContact CG1-CB 3.79Å; P720-D723 HydrophobicContact CB-CB 4.3Å; P720-D723 WeakPolarHBondContact CB-OD2 3.45Å; P720-D723 WeakPolarHBondContact CD-OD2 3.29Å; P720-D723 WeakPolarHBondContact CG-OD2 3.15Å; P720-D723 PolarHBondContact O-N 3.1Å; D723-L725 PolarHBondContact O-N 3.18Å; D723-L725 VanDerWaalsContact O-N 3.12Å
724	I	75.2	Confident	72.3	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.031	34%	0.34	C	S	.	.			trans	-81.8	88.5	174.5	-62.6	166.6	0	0	0	109.1	V719 P720 F734 K740 H742	V719-I724 HydrophobicContact CB-CD1 4.13Å; V719-I724 HydrophobicContact CB-CG1 3.82Å; V719-I724 HydrophobicContact CG1-CD1 4.44Å; V719-I724 HydrophobicContact CG1-CG1 3.65Å; V719-I724 WeakPolarHBondContact O-CD1 3.47Å; P720-I724 WeakPolarHBondContact O-CG1 3.37Å; P720-I724 PolarHBondContact O-N 3.36Å; P720-I724 VanDerWaalsContact O-N 3.17Å; I724-F734 HydrophobicContact CG2-CD2 3.56Å; I724-F734 HydrophobicContact CG2-CE2 3.27Å; I724-F734 HydrophobicContact CG2-CZ 4.21Å; I724-K740 HydrophobicContact CB-CD 4.26Å; I724-K740 HydrophobicContact CG2-CD 4.11Å; I724-K740 HydrophobicContact CG2-CG 4.38Å; I724-K740 VanDerWaalsContact O-CE 3.27Å; I724-K740 WeakPolarHBondContact O-CE 3.36Å; I724-K740 PolarHBondContact O-NZ 3.29Å; I724-H742 VanDerWaalsContact CD1-NE2 3.29Å; I724-H742 WeakPolarHBondContact CD1-NE2 3.42Å
725	L	79	Confident	73.8	Confident	115 Å²	115	67.1 Å²	67.1	60%	0.602	35%	0.351	S	S	*	.			trans	-88.2	-38.3	175.3	-58.9	179.4	0	0	0	112.1	D723 F734	D723-L725 PolarHBondContact O-N 3.18Å; D723-L725 VanDerWaalsContact O-N 3.12Å; L725-F734 PolarHBondContact O-N 2.93Å
726	L	85	Confident	74.7	Confident	81 Å²	81	72.6 Å²	72.6	42%	0.424	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-124.9	149.9	-175.9	-53.8	176.1	0	0	0	111	H728 R732 E733 F734	L726-H728 PolarHBondContact O-N 2.96Å; L726-R732 CarbonylContact C-O 3.35Å; L726-R732 WeakPolarHBondContact CA-O 3.39Å; L726-E733 HydrophobicContact CD2-CB 3.75Å; L726-E733 HydrophobicContact CD2-CG 4.13Å; L726-F734 WeakPolarHBondContact O-CE2 3.5Å
727	C	88.9	Confident	75.8	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.402	C	S	.	.			trans	-64.4	123.9	171.3	175.9	0	0	0	0	110.3	N729 C730 Q731 R732 F734 C751	C727-N729 PolarHBondContact O-N 2.88Å; C727-C730 VanDerWaalsContact CB-SG 3.57Å; C727-C730 PolarHBondContact SG-SG 2.75Å; C727-Q731 WeakPolarHBondContact O-CA 3.48Å; C727-Q731 PolarHBondContact O-N 2.96Å; C727-Q731 PolarHBondContact O-NE2 2.81Å; C727-R732 PolarHBondContact N-O 2.93Å; C727-F734 VanDerWaalsContact CA-CE2 3.49Å; C727-F734 HydrophobicContact CB-CE2 4.1Å; C727-F734 HydrophobicContact CB-CZ 3.9Å; C727-F734 VanDerWaalsContact N-CE2 3.31Å; C727-C751 PolarHBondContact SG-N 2.91Å; C727-C751 VanDerWaalsContact SG-N 3.4Å
728	H	90.9	Very high	76.5	Confident	90 Å²	90	77.3 Å²	77.3	42%	0.417	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.4	-177.9	-175.9	78.5	0	0	0	114.1	L726 Q731 Q748 G749 V750	L726-H728 PolarHBondContact O-N 2.96Å; H728-Q731 PolarHBondContact O-NE2 3.49Å; H728-Q748 HydrophobicContact CB-CB 3.71Å; H728-Q748 HydrophobicContact CB-CG 4.44Å; H728-Q748 PolarHBondContact ND1-OE1 3.48Å; H728-G749 VanDerWaalsContact CB-O 3.32Å; H728-G749 WeakPolarHBondContact CB-O 3.28Å; H728-G749 PolarHBondContact N-O 3.25Å; H728-V750 HydrophobicContact CB-CG1 4.05Å
729	N	88.6	Confident	76.5	Confident	75 Å²	75	79.9 Å²	79.9	40%	0.401	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-41.4	-176.3	-160.1	66.6	0	0	0	113.8	C727 V750 C754	C727-N729 PolarHBondContact O-N 2.88Å; N729-V750 HydrophobicContact CB-CG1 4.49Å; N729-C754 HydrophobicContact CB-CB 3.79Å
730	C	90.3	Very high	77.1	Confident	45 Å²	45	82.1 Å²	82.1	30%	0.304	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-0.3	-177.5	68.6	0	0	0	0	114.4	C727 R732 C754	C727-C730 VanDerWaalsContact CB-SG 3.57Å; C727-C730 PolarHBondContact SG-SG 2.75Å; C730-R732 PolarHBondContact O-N 3.09Å; C730-R732 PolarHBondContact SG-NE 3.48Å; C730-R732 VanDerWaalsContact SG-NE 3.38Å; C730-C754 VanDerWaalsContact CB-SG 3.56Å
731	Q	92.6	Very high	78	Confident	115 Å²	115	82.4 Å²	82.4	54%	0.537	43%	0.428	S	S	.	.			trans	57.9	12.4	177.6	-54.9	-61.2	-38.7	0	0	115.3	C727 H728	C727-Q731 WeakPolarHBondContact O-CA 3.48Å; C727-Q731 PolarHBondContact O-N 2.96Å; C727-Q731 PolarHBondContact O-NE2 2.81Å; H728-Q731 PolarHBondContact O-NE2 3.49Å
732	R	87.1	Confident	79.1	Confident	98 Å²	98	80.1 Å²	80.1	37%	0.37	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-67.9	137.2	171.6	-78.9	-173.6	-76.4	176.3	-9	110.8	L726 C727 C730 L738 E753	L726-R732 CarbonylContact C-O 3.35Å; L726-R732 WeakPolarHBondContact CA-O 3.39Å; C727-R732 PolarHBondContact N-O 2.93Å; C730-R732 PolarHBondContact O-N 3.09Å; C730-R732 PolarHBondContact SG-NE 3.48Å; C730-R732 VanDerWaalsContact SG-NE 3.38Å; R732-L738 HydrophobicContact CB-CD2 4.35Å; R732-E753 IonicContact CZ-OE2 3.45Å; R732-E753 IonicContact NH1-OE1 3.84Å; R732-E753 PolarHBondContact NH1-OE1 3.31Å; R732-E753 IonicContact NH1-OE2 2.71Å; R732-E753 PolarHBondContact NH1-OE2 3.48Å; R732-E753 IonicContact NH2-OE1 3.35Å; R732-E753 IonicContact NH2-OE2 2.66Å; R732-E753 PolarHBondContact NH2-OE2 3.49Å
733	E	87.4	Confident	80	Confident	135 Å²	135	73 Å²	73	63%	0.631	38%	0.382	S	S	*	.	B	Isolated β-bridge	trans	-67.9	135.8	174.9	-169.4	175.4	-161	0	0	111.4	L726	L726-E733 HydrophobicContact CD2-CB 3.75Å; L726-E733 HydrophobicContact CD2-CG 4.13Å
734	F	80.5	Confident	80.5	Confident	21 Å²	21	69.4 Å²	69.4	9%	0.092	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-78	127.1	176	-72.9	-73.9	0	0	0	110.6	I724 L725 L726 C727 L738 S739 K740 C751	I724-F734 HydrophobicContact CG2-CD2 3.56Å; I724-F734 HydrophobicContact CG2-CE2 3.27Å; I724-F734 HydrophobicContact CG2-CZ 4.21Å; L725-F734 PolarHBondContact O-N 2.93Å; L726-F734 WeakPolarHBondContact O-CE2 3.5Å; C727-F734 VanDerWaalsContact CA-CE2 3.49Å; C727-F734 HydrophobicContact CB-CE2 4.1Å; C727-F734 HydrophobicContact CB-CZ 3.9Å; C727-F734 VanDerWaalsContact N-CE2 3.31Å; F734-L738 HydrophobicContact CD1-CD2 4.05Å; F734-L738 HydrophobicContact CD1-CG 3.99Å; F734-L738 HydrophobicContact CE1-CD2 4.44Å; F734-L738 HydrophobicContact CE1-CG 4.36Å; F734-S739 WeakPolarHBondContact CE1-O 3.25Å; F734-K740 HydrophobicContact CB-CD 4.32Å; F734-K740 HydrophobicContact CB-CG 3.89Å; F734-K740 HydrophobicContact CD1-CB 4.36Å; F734-K740 HydrophobicContact CD1-CG 3.57Å; F734-K740 HydrophobicContact CD2-CD 4.45Å; F734-K740 HydrophobicContact CD2-CG 3.94Å; F734-K740 HydrophobicContact CE1-CB 4.34Å; F734-K740 HydrophobicContact CE1-CG 3.98Å; F734-K740 HydrophobicContact CE2-CG 4.3Å; F734-K740 HydrophobicContact CG-CD 4.29Å; F734-K740 HydrophobicContact CG-CG 3.53Å; F734-K740 HydrophobicContact CZ-CG 4.32Å; F734-C751 HydrophobicContact CE1-CB 4.07Å
735	T	74.4	Confident	80.5	Confident	84 Å²	84	69.7 Å²	69.7	52%	0.515	36%	0.363	S	S	.	.			trans	-123.2	171.1	177.6	63.3	0	0	0	0	109.6	K737 L738	T735-K737 PolarHBondContact O-N 3.15Å; T735-L738 CarbonylContact O-C 3.53Å; T735-L738 PolarHBondContact O-N 3.2Å
736	A	68.2	Low	80.3	Confident	117 Å²	117	66 Å²	66	97%	0.967	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.2	177.6	0	0	0	0	0	114.5
737	K	70.1	Confident	79.9	Confident	207 Å²	207	62.2 Å²	62.2	90%	0.9	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-10	176.4	-63.7	-177.1	-178.9	179.3	0	113.7	T735	T735-K737 PolarHBondContact O-N 3.15Å
738	L	71.7	Confident	79.7	Confident	38 Å²	38	65.1 Å²	65.1	20%	0.199	34%	0.341	C	S	.	.	S	Bend	trans	-117.2	104.6	-179.5	-173.5	66	0	0	0	109.3	R732 F734 T735 C751	R732-L738 HydrophobicContact CB-CD2 4.35Å; F734-L738 HydrophobicContact CD1-CD2 4.05Å; F734-L738 HydrophobicContact CD1-CG 3.99Å; F734-L738 HydrophobicContact CE1-CD2 4.44Å; F734-L738 HydrophobicContact CE1-CG 4.36Å; T735-L738 CarbonylContact O-C 3.53Å; T735-L738 PolarHBondContact O-N 3.2Å; L738-C751 HydrophobicContact CD1-CB 3.86Å; L738-C751 HydrophobicContact CD2-CB 4.34Å; L738-C751 HydrophobicContact CG-CB 4.2Å
739	S	71	Confident	79.3	Confident	69 Å²	69	61 Å²	61	48%	0.483	32%	0.323	S	S	.	.			trans	-69	137.5	-175.9	-64.7	0	0	0	0	112.3	F734 H741	F734-S739 WeakPolarHBondContact CE1-O 3.25Å; S739-H741 PolarHBondContact O-CD2 2.93Å
740	K	74.6	Confident	79.3	Confident	79 Å²	79	57.4 Å²	57.4	34%	0.343	30%	0.303	S	S	.	.			trans	-81.4	133	172.3	-63.1	-179.5	-170.2	-167.8	0	109.9	D721 I724 F734	D721-K740 PolarHBondContact O-NZ 3.49Å; I724-K740 HydrophobicContact CB-CD 4.26Å; I724-K740 HydrophobicContact CG2-CD 4.11Å; I724-K740 HydrophobicContact CG2-CG 4.38Å; I724-K740 VanDerWaalsContact O-CE 3.27Å; I724-K740 WeakPolarHBondContact O-CE 3.36Å; I724-K740 PolarHBondContact O-NZ 3.29Å; F734-K740 HydrophobicContact CB-CD 4.32Å; F734-K740 HydrophobicContact CB-CG 3.89Å; F734-K740 HydrophobicContact CD1-CB 4.36Å; F734-K740 HydrophobicContact CD1-CG 3.57Å; F734-K740 HydrophobicContact CD2-CD 4.45Å; F734-K740 HydrophobicContact CD2-CG 3.94Å; F734-K740 HydrophobicContact CE1-CB 4.34Å; F734-K740 HydrophobicContact CE1-CG 3.98Å; F734-K740 HydrophobicContact CE2-CG 4.3Å; F734-K740 HydrophobicContact CG-CD 4.29Å; F734-K740 HydrophobicContact CG-CG 3.53Å; F734-K740 HydrophobicContact CZ-CG 4.32Å
741	H	78.1	Confident	79.1	Confident	37 Å²	37	55.3 Å²	55.3	17%	0.171	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.2	173.2	-57.6	-84.1	0	0	0	110.8	S739 G749 V750 D752	S739-H741 PolarHBondContact O-CD2 2.93Å; H741-G749 CarbonylContact O-C 3.15Å; H741-G749 WeakPolarHBondContact O-CA 3.45Å; H741-V750 WeakPolarHBondContact CB-O 3.47Å; H741-V750 PolarHBondContact N-O 3.28Å; H741-V750 WeakPolarHBondContact O-CG2 3.32Å; H741-V750 PolarHBondContact O-N 3.34Å; H741-V750 VanDerWaalsContact O-O 3.13Å; H741-D752 IonicContact CD2-OD1 3.38Å; H741-D752 PolarHBondContact CD2-OD1 3.12Å; H741-D752 IonicContact CD2-OD2 3.11Å; H741-D752 IonicContact CE1-OD1 3.47Å; H741-D752 PolarHBondContact CE1-OD1 3.49Å; H741-D752 IonicContact CE1-OD2 3.23Å; H741-D752 IonicContact NE2-OD1 3.47Å; H741-D752 PolarHBondContact NE2-OD1 3.44Å; H741-D752 IonicContact NE2-OD2 3.42Å; H741-D752 PolarHBondContact NE2-OD2 3.27Å
742	H	77.4	Confident	78.7	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.065	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138.9	174.7	-57.4	71.6	0	0	0	111.5	W718 V719 D721 I724 R744 Q748	W718-H742 HydrophobicContact CD2-CB 3.58Å; W718-H742 AromaticContact CD2-CD2 3.74Å; W718-H742 AromaticContact CD2-CG 3.64Å; W718-H742 HydrophobicContact CE3-CB 3.6Å; W718-H742 AromaticContact CE3-CD2 3.54Å; W718-H742 AromaticContact CE3-CG 3.29Å; W718-H742 AromaticContact CE3-ND1 3.66Å; W718-H742 AromaticContact CE3-NE2 3.98Å; W718-H742 HydrophobicContact CG-CB 4.23Å; W718-H742 AromaticContact CG-CD2 3.89Å; W718-H742 HydrophobicContact CH2-CB 4Å; W718-H742 HydrophobicContact CZ2-CB 3.97Å; W718-H742 HydrophobicContact CZ3-CB 3.81Å; W718-H742 AromaticContact CZ3-CG 3.72Å; W718-H742 AromaticContact CZ3-ND1 3.76Å; V719-H742 PolarHBondContact O-NE2 3.02Å; D721-H742 IonicContact OD1-CE1 3.05Å; D721-H742 PolarHBondContact OD1-CE1 3.31Å; D721-H742 IonicContact OD1-NE2 3.51Å; D721-H742 PolarHBondContact OD1-NE2 3.38Å; D721-H742 VanDerWaalsContact OD1-NE2 3.12Å; I724-H742 VanDerWaalsContact CD1-NE2 3.29Å; I724-H742 WeakPolarHBondContact CD1-NE2 3.42Å; H742-R744 WeakPolarHBondContact O-CD 3.46Å; H742-R744 PolarHBondContact O-N 2.79Å; H742-R744 PolarHBondContact O-NH1 2.75Å; H742-Q748 WeakPolarHBondContact CA-O 3.15Å
743	C	81.4	Confident	78.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.			trans	-72.8	123.5	166.1	177.5	0	0	0	0	109.8	A745 C746 G747 Q748 C773	C743-A745 PolarHBondContact O-N 3.49Å; C743-C746 WeakPolarHBondContact CB-SG 3.48Å; C743-G747 VanDerWaalsContact O-CA 3.26Å; C743-G747 WeakPolarHBondContact O-CA 3.5Å; C743-G747 PolarHBondContact O-N 2.89Å; C743-Q748 PolarHBondContact N-O 2.93Å; C743-C773 HydrophobicContact CB-CB 4.09Å; C743-C773 PolarHBondContact SG-N 2.96Å
744	R	77.7	Confident	78.8	Confident	32 Å²	32	48.9 Å²	48.9	12%	0.121	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.5	-178.3	-78.4	72.7	173.3	166.3	-4.1	113.4	Y717 W718 H742 W766 V770 R771	Y717-R744 PolarHBondContact OH-O 3.45Å; W718-R744 HydrophobicContact CZ2-CG 4.17Å; H742-R744 WeakPolarHBondContact O-CD 3.46Å; H742-R744 PolarHBondContact O-N 2.79Å; H742-R744 PolarHBondContact O-NH1 2.75Å; R744-W766 HydrophobicContact CG-CZ2 4.45Å; R744-V770 HydrophobicContact CB-CB 3.95Å; R744-V770 HydrophobicContact CB-CG2 3.53Å; R744-V770 HydrophobicContact CG-CB 3.89Å; R744-V770 HydrophobicContact CG-CG2 4.05Å; R744-R771 WeakPolarHBondContact CD-O 3.34Å; R744-R771 PolarHBondContact N-O 3.05Å
745	A	75.8	Confident	79.3	Confident	11 Å²	11	48 Å²	48	9%	0.091	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-49.4	174.2	0	0	0	0	0	113.5	C743 V761 V772 C776 L783	C743-A745 PolarHBondContact O-N 3.49Å; A745-V761 HydrophobicContact CB-CG1 4.04Å; A745-V761 HydrophobicContact CB-CG2 4.05Å; A745-V772 HydrophobicContact CB-CG1 4.14Å; A745-C776 HydrophobicContact CB-CB 4.04Å; A745-L783 HydrophobicContact CB-CD1 4.42Å
746	C	75.3	Confident	79.7	Confident	39 Å²	39	48 Å²	48	26%	0.264	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-9.4	-174.1	70.1	0	0	0	0	115.5	C743 Q748	C743-C746 WeakPolarHBondContact CB-SG 3.48Å; C746-Q748 HydrophobicContact CB-CG 4.43Å; C746-Q748 PolarHBondContact O-N 2.96Å
747	G	76.1	Confident	80.4	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.			trans	75.5	0.6	177.2	0	0	0	0	0	115.9	W718 V719 C743	W718-G747 WeakPolarHBondContact CA-O 3.38Å; W718-G747 VanDerWaalsContact CD1-CA 3.45Å; V719-G747 PolarHBondContact N-O 3.44Å; C743-G747 VanDerWaalsContact O-CA 3.26Å; C743-G747 WeakPolarHBondContact O-CA 3.5Å; C743-G747 PolarHBondContact O-N 2.89Å
748	Q	84.9	Confident	81	Confident	62 Å²	62	43.8 Å²	43.8	29%	0.29	22%	0.222	S	C	.	.			trans	-77.5	150.8	-179.5	-61.5	-67.3	-35.1	0	0	112.3	H728 H742 C743 C746	H728-Q748 HydrophobicContact CB-CB 3.71Å; H728-Q748 HydrophobicContact CB-CG 4.44Å; H728-Q748 PolarHBondContact ND1-OE1 3.48Å; H742-Q748 WeakPolarHBondContact CA-O 3.15Å; C743-Q748 PolarHBondContact N-O 2.93Å; C746-Q748 HydrophobicContact CB-CG 4.43Å; C746-Q748 PolarHBondContact O-N 2.96Å
749	G	83.1	Confident	81.3	Confident	3 Å²	3	44.7 Å²	44.7	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.1	175.2	0	0	0	0	0	112.9	H728 H741	H728-G749 VanDerWaalsContact CB-O 3.32Å; H728-G749 WeakPolarHBondContact CB-O 3.28Å; H728-G749 PolarHBondContact N-O 3.25Å; H741-G749 CarbonylContact O-C 3.15Å; H741-G749 WeakPolarHBondContact O-CA 3.45Å
750	V	88.4	Confident	81.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.7	-177.7	-69.1	0	0	0	0	111.3	H728 N729 H741 C754 C773	H728-V750 HydrophobicContact CB-CG1 4.05Å; N729-V750 HydrophobicContact CB-CG1 4.49Å; H741-V750 WeakPolarHBondContact CB-O 3.47Å; H741-V750 PolarHBondContact N-O 3.28Å; H741-V750 WeakPolarHBondContact O-CG2 3.32Å; H741-V750 PolarHBondContact O-N 3.34Å; H741-V750 VanDerWaalsContact O-O 3.13Å; V750-C754 HydrophobicContact CB-CB 4.33Å; V750-C773 HydrophobicContact CB-CB 4.45Å; V750-C773 HydrophobicContact CG1-CB 3.76Å; V750-C773 HydrophobicContact CG2-CB 4.23Å
751	C	86.4	Confident	80.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.			trans	-81.6	167.6	172.2	64.1	0	0	0	0	111.5	C727 F734 L738 E753 C754 S755	C727-C751 PolarHBondContact SG-N 2.91Å; C727-C751 VanDerWaalsContact SG-N 3.4Å; F734-C751 HydrophobicContact CE1-CB 4.07Å; L738-C751 HydrophobicContact CD1-CB 3.86Å; L738-C751 HydrophobicContact CD2-CB 4.34Å; L738-C751 HydrophobicContact CG-CB 4.2Å; C751-E753 VanDerWaalsContact C-N 3.33Å; C751-E753 PolarHBondContact O-N 3.22Å; C751-C754 CarbonylContact O-C 3.6Å; C751-C754 PolarHBondContact O-N 2.74Å; C751-S755 PolarHBondContact O-N 3.28Å; C751-S755 PolarHBondContact O-OG 3.03Å
752	D	83.1	Confident	79.7	Confident	71 Å²	71	40.4 Å²	40.4	38%	0.38	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-57	-43.9	178.8	-82.6	-53.5	0	0	0	112.6	H741 C754 S755 R771	H741-D752 IonicContact CD2-OD1 3.38Å; H741-D752 PolarHBondContact CD2-OD1 3.12Å; H741-D752 IonicContact CD2-OD2 3.11Å; H741-D752 IonicContact CE1-OD1 3.47Å; H741-D752 PolarHBondContact CE1-OD1 3.49Å; H741-D752 IonicContact CE1-OD2 3.23Å; H741-D752 IonicContact NE2-OD1 3.47Å; H741-D752 PolarHBondContact NE2-OD1 3.44Å; H741-D752 IonicContact NE2-OD2 3.42Å; H741-D752 PolarHBondContact NE2-OD2 3.27Å; D752-C754 PolarHBondContact O-N 2.75Å; D752-S755 CarbonylContact O-C 3.54Å; D752-S755 PolarHBondContact O-N 2.75Å; D752-R771 IonicContact OD1-CZ 3.35Å; D752-R771 VanDerWaalsContact OD1-CZ 3.23Å; D752-R771 IonicContact OD1-NH1 2.76Å; D752-R771 PolarHBondContact OD1-NH1 3.02Å; D752-R771 IonicContact OD1-NH2 3.54Å; D752-R771 PolarHBondContact OD1-NH2 3.47Å
753	E	87.9	Confident	78.5	Confident	135 Å²	135	42.7 Å²	42.7	63%	0.631	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-62.3	-25.8	178	-67.4	175.6	-147	0	0	113.1	R732 C751	R732-E753 IonicContact CZ-OE2 3.45Å; R732-E753 IonicContact NH1-OE1 3.84Å; R732-E753 PolarHBondContact NH1-OE1 3.31Å; R732-E753 IonicContact NH1-OE2 2.71Å; R732-E753 PolarHBondContact NH1-OE2 3.48Å; R732-E753 IonicContact NH2-OE1 3.35Å; R732-E753 IonicContact NH2-OE2 2.66Å; R732-E753 PolarHBondContact NH2-OE2 3.49Å; C751-E753 VanDerWaalsContact C-N 3.33Å; C751-E753 PolarHBondContact O-N 3.22Å
754	C	88.9	Confident	77.1	Confident	8 Å²	8	47 Å²	47	5%	0.054	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-96.8	6.1	177.9	-70.2	0	0	0	0	113.6	N729 C730 V750 C751 D752 C773 T774	N729-C754 HydrophobicContact CB-CB 3.79Å; C730-C754 VanDerWaalsContact CB-SG 3.56Å; V750-C754 HydrophobicContact CB-CB 4.33Å; C751-C754 CarbonylContact O-C 3.6Å; C751-C754 PolarHBondContact O-N 2.74Å; D752-C754 PolarHBondContact O-N 2.75Å; C754-C773 CarbonylContact O-C 3.58Å; C754-C773 VanDerWaalsContact O-CA 3.28Å; C754-C773 WeakPolarHBondContact O-CA 3.39Å; C754-T774 PolarHBondContact O-N 3.47Å; C754-T774 PolarHBondContact O-OG1 2.66Å
755	S	90.1	Very high	75.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.007	23%	0.234	C	C	.	.			trans	-145.7	49.6	176.2	59.1	0	0	0	0	112.8	C751 D752 Q757 R771 V772	C751-S755 PolarHBondContact O-N 3.28Å; C751-S755 PolarHBondContact O-OG 3.03Å; D752-S755 CarbonylContact O-C 3.54Å; D752-S755 PolarHBondContact O-N 2.75Å; S755-Q757 VanDerWaalsContact C-N 3.26Å; S755-Q757 PolarHBondContact O-N 3.1Å; S755-R771 PolarHBondContact O-NH1 3.35Å; S755-R771 PolarHBondContact OG-NH1 2.77Å; S755-R771 VanDerWaalsContact OG-NH1 3.12Å; S755-V772 WeakPolarHBondContact CA-O 3.28Å; S755-V772 WeakPolarHBondContact CB-O 3.42Å
756	P	84.1	Confident	74.6	Confident	85 Å²	85	45.2 Å²	45.2	55%	0.552	23%	0.23	S	C	*	.			trans	-73.8	-18.2	-173.4	31.3	-36.5	0	0	0	113.3
757	Q	81.8	Confident	73.4	Confident	96 Å²	96	49.3 Å²	49.3	45%	0.449	25%	0.249	S	C	.	.			trans	-111	148.5	-169.6	-71.8	159.3	-8.9	0	0	111.1	S755 V772 N777	S755-Q757 VanDerWaalsContact C-N 3.26Å; S755-Q757 PolarHBondContact O-N 3.1Å; Q757-V772 PolarHBondContact O-N 2.82Å; Q757-N777 PolarHBondContact OE1-ND2 3.38Å
758	R	82.3	Confident	72.2	Confident	140 Å²	140	53.8 Å²	53.8	53%	0.528	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.2	174.2	-67.7	-173.7	171.5	-127.8	5.4	109.8	P769 V770	R758-P769 HydrophobicContact CB-CB 3.94Å; R758-V770 CarbonylContact C-O 3.59Å; R758-V770 WeakPolarHBondContact CA-O 3Å
759	R	78.1	Confident	71.3	Confident	56 Å²	56	54.4 Å²	54.4	21%	0.211	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.8	179.4	-171.5	169.1	173.7	-178.4	-1.6	109	V770 V772 N777 K779 G781 L783	R759-V770 PolarHBondContact N-O 3.2Å; R759-V770 WeakPolarHBondContact O-CG2 3.32Å; R759-V770 PolarHBondContact O-N 3.34Å; R759-V770 VanDerWaalsContact O-O 3.13Å; R759-V772 HydrophobicContact CB-CG1 4.48Å; R759-V772 HydrophobicContact CB-CG2 3.78Å; R759-N777 WeakPolarHBondContact CB-OD1 3.17Å; R759-N777 VanDerWaalsContact CD-OD1 3.28Å; R759-N777 WeakPolarHBondContact CD-OD1 3.2Å; R759-N777 PolarHBondContact NH1-O 2.88Å; R759-K779 PolarHBondContact NH1-O 2.95Å; R759-K779 PolarHBondContact NH2-O 2.96Å; R759-G781 PolarHBondContact NH2-O 3.38Å; R759-L783 HydrophobicContact CG-CD1 4.29Å
760	T	70.3	Confident	70.5	Confident	52 Å²	52	54.4 Å²	54.4	32%	0.319	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	146.1	171.4	49.8	0	0	0	0	109	P762 P769	T760-P762 VanDerWaalsContact C-CD 3.48Å; T760-P769 HydrophobicContact CG2-CG 4.2Å
761	V	64.1	Low	70.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	68.1	174.1	-173	0	0	0	0	107.6	A745 S763 R764 G765 W766 V770 V772 L783	A745-V761 HydrophobicContact CB-CG1 4.04Å; A745-V761 HydrophobicContact CB-CG2 4.05Å; V761-S763 PolarHBondContact O-N 2.85Å; V761-R764 HydrophobicContact CG1-CB 3.75Å; V761-R764 HydrophobicContact CG1-CG 3.55Å; V761-R764 PolarHBondContact O-N 3.11Å; V761-G765 PolarHBondContact O-N 2.98Å; V761-W766 CarbonylContact C-O 3.37Å; V761-W766 HydrophobicContact CB-CB 4.13Å; V761-W766 PolarHBondContact N-O 2.94Å; V761-W766 PolarHBondContact O-N 3.4Å; V761-V770 HydrophobicContact CB-CG2 4.34Å; V761-V770 HydrophobicContact CG2-CG2 3.8Å; V761-V772 HydrophobicContact CG2-CG1 3.75Å; V761-L783 CarbonylContact C-O 3.58Å; V761-L783 VanDerWaalsContact CA-O 3.28Å; V761-L783 WeakPolarHBondContact CA-O 3.45Å; V761-L783 HydrophobicContact CB-CB 4.38Å; V761-L783 HydrophobicContact CG1-CB 4.13Å; V761-L783 HydrophobicContact CG2-CB 4.2Å; V761-L783 HydrophobicContact CG2-CD1 4.45Å
762	P	56.3	Low	70.1	Confident	43 Å²	43	56.6 Å²	56.6	28%	0.279	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29.2	-178.7	-23.1	35.6	0	0	0	112.6	T760 R764 G765 L783	T760-P762 VanDerWaalsContact C-CD 3.48Å; P762-R764 PolarHBondContact O-N 3.22Å; P762-R764 VanDerWaalsContact O-N 3.08Å; P762-G765 WeakPolarHBondContact O-CA 3.36Å; P762-G765 PolarHBondContact O-N 2.98Å; P762-L783 VanDerWaalsContact CD-O 3.25Å; P762-L783 WeakPolarHBondContact CD-O 3.14Å; P762-L783 VanDerWaalsContact N-O 3.17Å
763	S	52	Low	70.4	Confident	63 Å²	63	53.4 Å²	53.4	44%	0.441	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.1	176.5	82.2	0	0	0	0	113.9	V761 L783	V761-S763 PolarHBondContact O-N 2.85Å; S763-L783 VanDerWaalsContact CB-C 3.48Å; S763-L783 VanDerWaalsContact CB-O 3.24Å; S763-L783 WeakPolarHBondContact CB-O 3.43Å; S763-L783 WeakPolarHBondContact CB-OXT 3.4Å; S763-L783 PolarHBondContact N-O 3.12Å; S763-L783 PolarHBondContact OG-O 3.35Å; S763-L783 VanDerWaalsContact OG-O 3.12Å; S763-L783 PolarHBondContact OG-OXT 2.66Å
764	R	52	Low	70.6	Confident	91 Å²	91	48.5 Å²	48.5	34%	0.343	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-112	12	175.5	-56.6	-61	-172.3	159	0.7	111.5	N561 R565 V761 P762	N561-R764 PolarHBondContact ND2-O 2.85Å; N561-R764 VanDerWaalsContact ND2-O 3.16Å; R565-R764 PolarHBondContact NH2-O 2.91Å; V761-R764 HydrophobicContact CG1-CB 3.75Å; V761-R764 HydrophobicContact CG1-CG 3.55Å; V761-R764 PolarHBondContact O-N 3.11Å; P762-R764 PolarHBondContact O-N 3.22Å; P762-R764 VanDerWaalsContact O-N 3.08Å
765	G	47.3	Very low	70.5	Confident	4 Å²	4	49.7 Å²	49.7	4%	0.041	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	14.1	-178.8	0	0	0	0	0	115.3	R565 V761 P762 D767	R565-G765 PolarHBondContact NH1-O 3.34Å; R565-G765 VanDerWaalsContact NH1-O 3.14Å; R565-G765 PolarHBondContact NH2-O 2.77Å; V761-G765 PolarHBondContact O-N 2.98Å; P762-G765 WeakPolarHBondContact O-CA 3.36Å; P762-G765 PolarHBondContact O-N 2.98Å; G765-D767 PolarHBondContact O-N 3.42Å
766	W	54	Low	70.4	Confident	1 Å²	1	50 Å²	50	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	84.1	177.4	-59.2	106	0	0	0	109.9	R565 R744 V761 H768 V770	R565-W766 HydrophobicContact CB-CZ3 4.42Å; R565-W766 HydrophobicContact CG-CE3 4.1Å; R565-W766 HydrophobicContact CG-CH2 3.55Å; R565-W766 HydrophobicContact CG-CZ2 4.39Å; R565-W766 HydrophobicContact CG-CZ3 3.39Å; R744-W766 HydrophobicContact CG-CZ2 4.45Å; V761-W766 CarbonylContact C-O 3.37Å; V761-W766 HydrophobicContact CB-CB 4.13Å; V761-W766 PolarHBondContact N-O 2.94Å; V761-W766 PolarHBondContact O-N 3.4Å; W766-H768 AromaticContact CE3-NE2 3.72Å; W766-H768 PolarHBondContact O-N 2.81Å; W766-V770 HydrophobicContact CB-CG1 4.03Å; W766-V770 HydrophobicContact CB-CG2 3.69Å; W766-V770 HydrophobicContact CD2-CG1 3.84Å; W766-V770 HydrophobicContact CD2-CG2 4.37Å; W766-V770 HydrophobicContact CE3-CG1 3.58Å; W766-V770 HydrophobicContact CG-CG1 4.05Å; W766-V770 HydrophobicContact CG-CG2 3.82Å; W766-V770 HydrophobicContact CZ3-CG1 4.22Å
767	D	49.6	Very low	70.5	Confident	124 Å²	124	47.6 Å²	47.6	66%	0.663	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	-8.1	-179.2	-53.6	-44.2	0	0	0	113	G765	G765-D767 PolarHBondContact O-N 3.42Å
768	H	51.3	Low	70.7	Confident	94 Å²	94	50.1 Å²	50.1	44%	0.435	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	156.2	176.1	52.2	-87.7	0	0	0	111.7	W766 V770	W766-H768 AromaticContact CE3-NE2 3.72Å; W766-H768 PolarHBondContact O-N 2.81Å; H768-V770 PolarHBondContact O-N 3.42Å
769	P	65.8	Low	70.7	Confident	75 Å²	75	49.1 Å²	49.1	49%	0.487	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	117.1	-177	-25.2	34.8	0	0	0	113.9	R758 T760	R758-P769 HydrophobicContact CB-CB 3.94Å; T760-P769 HydrophobicContact CG2-CG 4.2Å
770	V	67.6	Low	70.1	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	159.3	179.8	-70.2	0	0	0	0	111.6	R744 R758 R759 V761 W766 H768 V772	R744-V770 HydrophobicContact CB-CB 3.95Å; R744-V770 HydrophobicContact CB-CG2 3.53Å; R744-V770 HydrophobicContact CG-CB 3.89Å; R744-V770 HydrophobicContact CG-CG2 4.05Å; R758-V770 CarbonylContact C-O 3.59Å; R758-V770 WeakPolarHBondContact CA-O 3Å; R759-V770 PolarHBondContact N-O 3.2Å; R759-V770 WeakPolarHBondContact O-CG2 3.32Å; R759-V770 PolarHBondContact O-N 3.34Å; R759-V770 VanDerWaalsContact O-O 3.13Å; V761-V770 HydrophobicContact CB-CG2 4.34Å; V761-V770 HydrophobicContact CG2-CG2 3.8Å; W766-V770 HydrophobicContact CB-CG1 4.03Å; W766-V770 HydrophobicContact CB-CG2 3.69Å; W766-V770 HydrophobicContact CD2-CG1 3.84Å; W766-V770 HydrophobicContact CD2-CG2 4.37Å; W766-V770 HydrophobicContact CE3-CG1 3.58Å; W766-V770 HydrophobicContact CG-CG1 4.05Å; W766-V770 HydrophobicContact CG-CG2 3.82Å; W766-V770 HydrophobicContact CZ3-CG1 4.22Å; H768-V770 PolarHBondContact O-N 3.42Å; V770-V772 PolarHBondContact O-N 3.03Å
771	R	82.1	Confident	70	Confident	45 Å²	45	52.7 Å²	52.7	17%	0.17	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	122.8	-176.5	-177.9	-174.2	-70	-102	19.2	111.2	R744 D752 S755	R744-R771 WeakPolarHBondContact CD-O 3.34Å; R744-R771 PolarHBondContact N-O 3.05Å; D752-R771 IonicContact OD1-CZ 3.35Å; D752-R771 VanDerWaalsContact OD1-CZ 3.23Å; D752-R771 IonicContact OD1-NH1 2.76Å; D752-R771 PolarHBondContact OD1-NH1 3.02Å; D752-R771 IonicContact OD1-NH2 3.54Å; D752-R771 PolarHBondContact OD1-NH2 3.47Å; S755-R771 PolarHBondContact O-NH1 3.35Å; S755-R771 PolarHBondContact OG-NH1 2.77Å; S755-R771 VanDerWaalsContact OG-NH1 3.12Å
772	V	82.9	Confident	69.8	Low	0 Å²	0	61 Å²	61	0%	0	34%	0.339	C	S	.	.			trans	-123.1	148.9	176.3	-68.6	0	0	0	0	109.8	A745 S755 Q757 R759 V761 V770 C776 N777 L783	A745-V772 HydrophobicContact CB-CG1 4.14Å; S755-V772 WeakPolarHBondContact CA-O 3.28Å; S755-V772 WeakPolarHBondContact CB-O 3.42Å; Q757-V772 PolarHBondContact O-N 2.82Å; R759-V772 HydrophobicContact CB-CG1 4.48Å; R759-V772 HydrophobicContact CB-CG2 3.78Å; V761-V772 HydrophobicContact CG2-CG1 3.75Å; V770-V772 PolarHBondContact O-N 3.03Å; V772-C776 HydrophobicContact CB-CB 4.27Å; V772-N777 HydrophobicContact CG2-CB 3.84Å; V772-L783 HydrophobicContact CG1-CD1 4.41Å
773	C	90.4	Very high	69.7	Low	4 Å²	4	60.5 Å²	60.5	3%	0.027	33%	0.333	C	S	.	.			trans	-70	157.8	173	69.2	0	0	0	0	110.6	C743 V750 C754 G775 C776 N777	C743-C773 HydrophobicContact CB-CB 4.09Å; C743-C773 PolarHBondContact SG-N 2.96Å; V750-C773 HydrophobicContact CB-CB 4.45Å; V750-C773 HydrophobicContact CG1-CB 3.76Å; V750-C773 HydrophobicContact CG2-CB 4.23Å; C754-C773 CarbonylContact O-C 3.58Å; C754-C773 VanDerWaalsContact O-CA 3.28Å; C754-C773 WeakPolarHBondContact O-CA 3.39Å; C773-G775 PolarHBondContact O-N 2.9Å; C773-C776 PolarHBondContact O-N 3.39Å; C773-C776 PolarHBondContact SG-N 3.03Å; C773-C776 VanDerWaalsContact SG-N 3.38Å; C773-C776 PolarHBondContact SG-SG 3.47Å; C773-N777 PolarHBondContact O-N 2.98Å
774	T	90.5	Very high	70.6	Confident	33 Å²	33	60.4 Å²	60.4	20%	0.202	33%	0.328	C	S	.	.	H	α-helix	trans	-54.4	-40.3	-179.3	-21.8	0	0	0	0	112.1	C754 N777 Q778	C754-T774 PolarHBondContact O-N 3.47Å; C754-T774 PolarHBondContact O-OG1 2.66Å; T774-N777 PolarHBondContact O-N 3.07Å; T774-Q778 WeakPolarHBondContact O-CG 3.27Å; T774-Q778 PolarHBondContact O-N 2.89Å; T774-Q778 VanDerWaalsContact O-N 3.11Å
775	G	87.8	Confident	71.6	Confident	32 Å²	32	58.8 Å²	58.8	33%	0.33	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-35.7	177.2	0	0	0	0	0	114.3	C773	C773-G775 PolarHBondContact O-N 2.9Å
776	C	87.2	Confident	72.9	Confident	7 Å²	7	61.8 Å²	61.8	5%	0.047	34%	0.343	C	S	.	.	H	α-helix	trans	-73.5	-36.4	172.1	-71.6	0	0	0	0	111.1	A745 V772 C773 Q778 K779 L783	A745-C776 HydrophobicContact CB-CB 4.04Å; V772-C776 HydrophobicContact CB-CB 4.27Å; C773-C776 PolarHBondContact O-N 3.39Å; C773-C776 PolarHBondContact SG-N 3.03Å; C773-C776 VanDerWaalsContact SG-N 3.38Å; C773-C776 PolarHBondContact SG-SG 3.47Å; C776-Q778 VanDerWaalsContact C-N 3.25Å; C776-Q778 PolarHBondContact O-N 3.19Å; C776-K779 PolarHBondContact O-N 3.21Å; C776-L783 HydrophobicContact CB-CD1 4.46Å; C776-L783 WeakPolarHBondContact O-CD1 3.44Å
777	N	86.9	Confident	74	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.193	36%	0.363	C	S	.	.	H	α-helix	trans	-66.9	-25.8	-178.8	-160.7	55.3	0	0	0	113.6	Q757 R759 V772 C773 T774	Q757-N777 PolarHBondContact OE1-ND2 3.38Å; R759-N777 WeakPolarHBondContact CB-OD1 3.17Å; R759-N777 VanDerWaalsContact CD-OD1 3.28Å; R759-N777 WeakPolarHBondContact CD-OD1 3.2Å; R759-N777 PolarHBondContact NH1-O 2.88Å; V772-N777 HydrophobicContact CG2-CB 3.84Å; C773-N777 PolarHBondContact O-N 2.98Å; T774-N777 PolarHBondContact O-N 3.07Å
778	Q	85.7	Confident	75.6	Confident	149 Å²	149	61.8 Å²	61.8	70%	0.696	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-6.7	179.1	-71.4	172.1	-4.5	0	0	114.1	T774 C776	T774-Q778 WeakPolarHBondContact O-CG 3.27Å; T774-Q778 PolarHBondContact O-N 2.89Å; T774-Q778 VanDerWaalsContact O-N 3.11Å; C776-Q778 VanDerWaalsContact C-N 3.25Å; C776-Q778 PolarHBondContact O-N 3.19Å
779	K	82.6	Confident	77.2	Confident	118 Å²	118	59.6 Å²	59.6	51%	0.513	34%	0.338	S	S	.	.	S	Bend	trans	-70.6	132.8	178.5	-66.4	-173.9	177.7	-175.9	0	111.3	R759 C776 L783	R759-K779 PolarHBondContact NH1-O 2.95Å; R759-K779 PolarHBondContact NH2-O 2.96Å; C776-K779 PolarHBondContact O-N 3.21Å; K779-L783 HydrophobicContact CB-CD2 4.13Å; K779-L783 HydrophobicContact CD-CD2 4.26Å
780	P	65.3	Low	78	Confident	129 Å²	129	58.5 Å²	58.5	84%	0.838	33%	0.328	S	S	*	.	S	Bend	trans	-72.6	146.8	173.5	29.4	-32.5	0	0	0	111.2
781	G	69.2	Low	78.8	Confident	54 Å²	54	62.7 Å²	62.7	56%	0.557	35%	0.351	S	S	*	.	S	Bend	trans	100.8	-178.8	178	0	0	0	0	0	115.5	R759	R759-G781 PolarHBondContact NH2-O 3.38Å
782	E	59.7	Low	78.5	Confident	176 Å²	176	64.2 Å²	64.2	82%	0.822	37%	0.366	S	S	*	.			trans	-73.7	139.3	169.3	-70.8	-174.4	168.3	0	0	110
783	L	54.3	Low	78.1	Confident	32 Å²	32	70 Å²	70	17%	0.168	40%	0.399	C	S	.	.			trans	-90.6	0	-175.5	-85.7	-178	0	0	0	113.8	A745 R759 V761 P762 S763 V772 C776 K779	A745-L783 HydrophobicContact CB-CD1 4.42Å; R759-L783 HydrophobicContact CG-CD1 4.29Å; V761-L783 CarbonylContact C-O 3.58Å; V761-L783 VanDerWaalsContact CA-O 3.28Å; V761-L783 WeakPolarHBondContact CA-O 3.45Å; V761-L783 HydrophobicContact CB-CB 4.38Å; V761-L783 HydrophobicContact CG1-CB 4.13Å; V761-L783 HydrophobicContact CG2-CB 4.2Å; V761-L783 HydrophobicContact CG2-CD1 4.45Å; P762-L783 VanDerWaalsContact CD-O 3.25Å; P762-L783 WeakPolarHBondContact CD-O 3.14Å; P762-L783 VanDerWaalsContact N-O 3.17Å; S763-L783 VanDerWaalsContact CB-C 3.48Å; S763-L783 VanDerWaalsContact CB-O 3.24Å; S763-L783 WeakPolarHBondContact CB-O 3.43Å; S763-L783 WeakPolarHBondContact CB-OXT 3.4Å; S763-L783 PolarHBondContact N-O 3.12Å; S763-L783 PolarHBondContact OG-O 3.35Å; S763-L783 VanDerWaalsContact OG-O 3.12Å; S763-L783 PolarHBondContact OG-OXT 2.66Å; V772-L783 HydrophobicContact CG1-CD1 4.41Å; C776-L783 HydrophobicContact CB-CD1 4.46Å; C776-L783 WeakPolarHBondContact O-CD1 3.44Å; K779-L783 HydrophobicContact CB-CD2 4.13Å; K779-L783 HydrophobicContact CD-CD2 4.26Å

Retrieved 783 of 783 residues in 1469.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).