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7-dehydrocholesterol reductase

Catalyzes the last step of the cholesterol synthesis pathway, which transforms cholesta-5,7-dien-3beta-ol (7-dehydrocholesterol,7-DHC) into cholesterol by reducing the C7-C8 double bond of its sterol core. Can also metabolize cholesta-5,7,24-trien-3beta-ol (7-dehydrodemosterol, 7-DHD) to desmosterol, which is then metabolized by the Delta(24)-sterol reductase (DHCR24) to cholesterol. Modulates ferroptosis (a form of regulated cell death driven by iron-dependent lipid peroxidation) through the metabolic breakdown of the anti-ferroptotic metabolites 7-DHC and 7-DHD which, when accumulated, divert the propagation of peroxyl radical-mediated damage from phospholipid components to its sterol core, protecting plasma and mitochondrial membranes from phospholipid autoxidation. Catalyzes the reduction of the C14-unsaturated bond of lanosterol, as part of the metabolic pathway leading to cholesterol biosynthesis.

AlphaFold DB , UniProt , Accession X5D9E1, Species HUMAN (Homo sapiens, Human), Gene DHCR7, Length 201 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	39.6	Very low	252 Å²	252	157.4 Å²	157.4	100%	1.241	88%	0.878	S	S	*	*				0	99.4	0	-73.5	172.9	-180	0	0	108.4
2	A	39.3	Very low	39.5	Very low	108 Å²	108	152.3 Å²	152.3	89%	0.893	87%	0.871	S	S	*	*			trans	-153.6	105.6	169.5	0	0	0	0	0	107
3	A	38.6	Very low	39.8	Very low	106 Å²	106	156.1 Å²	156.1	88%	0.876	87%	0.871	S	S	*	*			trans	-110.3	119.6	174.8	0	0	0	0	0	108.4
4	K	37.7	Very low	40.1	Very low	211 Å²	211	151.1 Å²	151.1	92%	0.917	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-63	128.7	177.6	-110.5	168.6	172.6	177.6	0	110.5
5	S	37.6	Very low	40.6	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-76.8	129.9	168.5	48.1	0	0	0	0	110.8
6	Q	42.4	Very low	40.7	Very low	180 Å²	180	148.8 Å²	148.8	84%	0.841	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-78.7	141.2	171.1	-73.1	-83.2	-23.9	0	0	110.2
7	P	40.6	Very low	40.7	Very low	110 Å²	110	142.4 Å²	142.4	71%	0.714	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-82.6	130.4	171.5	29.7	-26	0	0	0	111.1	I9	P7-I9 PolarHBondContact O-N 3.28Å
8	N	40.1	Very low	41.1	Very low	171 Å²	171	138.8 Å²	138.8	91%	0.914	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-67.7	116.5	174.5	-94.9	-30.2	0	0	0	110.8
9	I	42.6	Very low	41.3	Very low	153 Å²	153	135.6 Å²	135.6	79%	0.785	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.1	129.8	171	-59.1	173.7	0	0	0	108.6	P7 K11	P7-I9 PolarHBondContact O-N 3.28Å; I9-K11 PolarHBondContact O-N 3.5Å
10	P	41.4	Very low	41.4	Very low	117 Å²	117	134.6 Å²	134.6	76%	0.76	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-69.7	122.9	173.5	12	-6.6	0	0	0	110.5	A12	P10-A12 PolarHBondContact O-N 3.16Å
11	K	38.3	Very low	41.7	Very low	206 Å²	206	133.9 Å²	133.9	90%	0.896	76%	0.76	S	S	*	*			trans	-60.4	115.9	176	-167.9	174.8	-175.6	177.2	0	109.7	I9 K13	I9-K11 PolarHBondContact O-N 3.5Å; K11-K13 PolarHBondContact O-N 3.43Å
12	A	38.3	Very low	42.2	Very low	96 Å²	96	130 Å²	130	79%	0.793	73%	0.731	S	S	*	*			trans	-56.2	121.6	174.2	0	0	0	0	0	110	P10 S14	P10-A12 PolarHBondContact O-N 3.16Å; A12-S14 PolarHBondContact O-N 3.41Å
13	K	43.1	Very low	42.5	Very low	202 Å²	202	130 Å²	130	88%	0.878	72%	0.72	S	S	*	*			trans	-68.8	112.9	172.1	-157.2	173.4	-174.6	178.4	0	106.7	K11 L15	K11-K13 PolarHBondContact O-N 3.43Å; K13-L15 PolarHBondContact O-N 3.41Å
14	S	43.9	Very low	42.8	Very low	86 Å²	86	127.7 Å²	127.7	60%	0.601	70%	0.701	S	S	*	*			trans	-55.3	132.1	-176.7	48.5	0	0	0	0	111.2	A12 D16	A12-S14 PolarHBondContact O-N 3.41Å; S14-D16 PolarHBondContact O-N 3.33Å
15	L	47.5	Very low	43.4	Very low	148 Å²	148	121.6 Å²	121.6	78%	0.775	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-12.5	179.1	-113.3	89	0	0	0	113.2	K13 G17 V18	K13-L15 PolarHBondContact O-N 3.41Å; L15-G17 VanDerWaalsContact C-N 3.26Å; L15-G17 PolarHBondContact O-N 3.16Å; L15-V18 PolarHBondContact O-N 2.88Å
16	D	43	Very low	44	Very low	117 Å²	117	122.1 Å²	122.1	63%	0.626	67%	0.674	S	S	*	*	H	α-helix	trans	-73.7	-13.8	-173	-56.2	-40.4	0	0	0	114	S14 T19 N20	S14-D16 PolarHBondContact O-N 3.33Å; D16-T19 PolarHBondContact O-OG1 2.88Å; D16-N20 PolarHBondContact O-ND2 3.31Å
17	G	39.6	Very low	44.6	Very low	40 Å²	40	116.3 Å²	116.3	41%	0.412	66%	0.663	S	S	.	*	H	α-helix	trans	-74.2	-33.3	175	0	0	0	0	0	113.2	L15	L15-G17 VanDerWaalsContact C-N 3.26Å; L15-G17 PolarHBondContact O-N 3.16Å
18	V	49.2	Very low	45.5	Very low	79 Å²	79	118.9 Å²	118.9	48%	0.479	67%	0.666	S	S	.	*	H	α-helix	trans	-80.1	-23.5	-170.1	177.7	0	0	0	0	112.5	L15	L15-V18 PolarHBondContact O-N 2.88Å
19	T	43.9	Very low	46.3	Very low	78 Å²	78	117.2 Å²	117.2	48%	0.479	65%	0.647	S	S	.	*	H	α-helix	trans	-79.4	-30.5	178.8	41.9	0	0	0	0	112.9	D16 T23	D16-T19 PolarHBondContact O-OG1 2.88Å; T19-T23 PolarHBondContact O-OG1 3.17Å
20	N	44.1	Very low	47.3	Very low	114 Å²	114	112.8 Å²	112.8	61%	0.61	64%	0.639	S	S	*	*	H	α-helix	trans	-77.7	-29.6	-178.2	-68.7	-30.6	0	0	0	113	D16 R22 T23	D16-N20 PolarHBondContact O-ND2 3.31Å; N20-R22 VanDerWaalsContact C-N 3.35Å; N20-R22 PolarHBondContact O-N 3.42Å; N20-T23 PolarHBondContact O-N 3.06Å
21	D	47.6	Very low	48.3	Very low	121 Å²	121	118.5 Å²	118.5	65%	0.647	65%	0.645	S	S	*	*	H	α-helix	trans	-69.2	-31.5	177.7	-71.2	-29.4	0	0	0	112.8	T23	D21-T23 VanDerWaalsContact C-N 3.33Å; D21-T23 PolarHBondContact O-N 3.31Å
22	R	46.9	Very low	49.3	Very low	171 Å²	171	113.1 Å²	113.1	65%	0.645	64%	0.639	S	S	*	*	H	α-helix	trans	-70.1	-32	179.7	-68.1	-174.6	-179.1	136.4	0.7	112.3	N20 S25	N20-R22 VanDerWaalsContact C-N 3.35Å; N20-R22 PolarHBondContact O-N 3.42Å; R22-S25 PolarHBondContact O-OG 3.2Å; R22-S25 VanDerWaalsContact O-OG 3.07Å
23	T	45.4	Very low	50.7	Low	107 Å²	107	119.1 Å²	119.1	66%	0.656	64%	0.642	S	S	*	*	H	α-helix	trans	-77.8	-29.3	-178.4	-24.4	0	0	0	0	112.4	T19 N20 D21	T19-T23 PolarHBondContact O-OG1 3.17Å; N20-T23 PolarHBondContact O-N 3.06Å; D21-T23 VanDerWaalsContact C-N 3.33Å; D21-T23 PolarHBondContact O-N 3.31Å
24	A	45.5	Very low	52.1	Low	58 Å²	58	118.2 Å²	118.2	48%	0.479	64%	0.64	S	S	.	*	H	α-helix	trans	-72.1	-31.6	178.3	0	0	0	0	0	113.2	Q26	A24-Q26 PolarHBondContact O-N 3.17Å
25	S	50.3	Low	53.7	Low	82 Å²	82	119 Å²	119	57%	0.573	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-19.5	-176.2	69.2	0	0	0	0	115.1	R22 G27	R22-S25 PolarHBondContact O-OG 3.2Å; R22-S25 VanDerWaalsContact O-OG 3.07Å; S25-G27 PolarHBondContact O-N 3.3Å
26	Q	51.1	Low	55.6	Low	128 Å²	128	117.3 Å²	117.3	60%	0.598	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-12.4	-173.8	-87.5	-82.3	-36.3	0	0	114.1	A24 P114	A24-Q26 PolarHBondContact O-N 3.17Å; Q26-P114 PolarHBondContact NE2-O 3.4Å
27	G	53.3	Low	57.8	Low	59 Å²	59	120.9 Å²	120.9	61%	0.608	64%	0.638	S	S	*	*	S	Bend	trans	-106.5	-7.7	-176.2	0	0	0	0	0	116	S25	S25-G27 PolarHBondContact O-N 3.3Å
28	Q	60	Low	60.3	Low	163 Å²	163	126.9 Å²	126.9	76%	0.762	65%	0.653	S	S	*	*			trans	-109.5	38.2	-164.7	-62.9	-176.4	-38.5	0	0	113.3
29	W	56.6	Low	62	Low	137 Å²	137	126 Å²	126	52%	0.519	65%	0.651	S	S	.	*			trans	-94.3	116.3	179.7	-166.2	83.4	0	0	0	111.4	V112 T113 P114	W29-V112 VanDerWaalsContact CD1-O 3.24Å; W29-V112 PolarHBondContact NE1-O 3.49Å; W29-V112 VanDerWaalsContact NE1-O 3.13Å; W29-T113 HydrophobicContact CZ2-CG2 4.1Å; W29-P114 HydrophobicContact CB-CG 3.91Å; W29-P114 HydrophobicContact CD2-CG 4.39Å; W29-P114 HydrophobicContact CG-CG 3.93Å
30	G	65	Low	64.2	Low	60 Å²	60	125.8 Å²	125.8	62%	0.619	65%	0.646	S	S	*	*	S	Bend	trans	118	-167.8	176.5	0	0	0	0	0	113.8
31	R	62	Low	66.6	Low	236 Å²	236	122.3 Å²	122.3	89%	0.891	63%	0.633	S	S	*	*	S	Bend	trans	-64.1	157	-178.3	-65.4	-176.3	67.5	-168.7	-1	111.4	W33	R31-W33 PolarHBondContact O-N 3Å; R31-W33 VanDerWaalsContact O-N 3.15Å
32	A	59.7	Low	68.6	Low	94 Å²	94	119.8 Å²	119.8	78%	0.777	63%	0.625	S	S	*	*			trans	-41.9	117.5	176.4	0	0	0	0	0	111.7
33	W	66.6	Low	70.7	Confident	222 Å²	222	115.3 Å²	115.3	84%	0.841	62%	0.616	S	S	*	*			trans	-89.2	-22.7	-176	-151.7	-66.4	0	0	0	112.1	R31	R31-W33 PolarHBondContact O-N 3Å; R31-W33 VanDerWaalsContact O-N 3.15Å
34	E	72.1	Confident	72.8	Confident	182 Å²	182	114.2 Å²	114.2	85%	0.85	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-84.3	116	171.9	-71.9	179.3	162.6	0	0	108.6
35	V	78.1	Confident	75	Confident	104 Å²	104	117.2 Å²	117.2	63%	0.63	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-99.7	119.4	171.7	-178.9	0	0	0	0	107
36	D	87.4	Confident	76.9	Confident	111 Å²	111	118.8 Å²	118.8	59%	0.594	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-57.5	138.3	174.6	-77.6	-81.9	0	0	0	111.8	F38 S39 L40	D36-F38 PolarHBondContact O-N 2.81Å; D36-S39 WeakPolarHBondContact O-CB 3.4Å; D36-S39 PolarHBondContact O-N 3.31Å; D36-L40 PolarHBondContact O-N 3.36Å
37	W	89.9	Confident	78.6	Confident	192 Å²	192	118.6 Å²	118.6	73%	0.727	61%	0.612	S	S	*	*	H	α-helix	trans	-57.7	-34.7	176.6	-179.5	-99.9	0	0	0	112.4	L40 A41	W37-L40 HydrophobicContact CE3-CD2 4.24Å; W37-L40 HydrophobicContact CZ3-CD2 4.08Å; W37-L40 PolarHBondContact O-N 3.14Å; W37-A41 VanDerWaalsContact O-CB 3.3Å; W37-A41 WeakPolarHBondContact O-CB 3.27Å; W37-A41 PolarHBondContact O-N 3.42Å
38	F	90.9	Very high	80.1	Confident	167 Å²	167	120.9 Å²	120.9	73%	0.732	61%	0.609	S	S	*	*	H	α-helix	trans	-64	-40	174.9	-70.4	-72.5	0	0	0	112.5	D36 L40 S42	D36-F38 PolarHBondContact O-N 2.81Å; F38-L40 VanDerWaalsContact C-N 3.35Å; F38-S42 VanDerWaalsContact O-CB 3.29Å; F38-S42 WeakPolarHBondContact O-CB 3.49Å; F38-S42 PolarHBondContact O-N 3.39Å; F38-S42 PolarHBondContact O-OG 3.3Å
39	S	86.6	Confident	81.2	Confident	61 Å²	61	118 Å²	118	43%	0.427	59%	0.594	S	S	.	*	H	α-helix	trans	-65.3	-42.3	175.3	-63.7	0	0	0	0	110.5	D36 S42 V43	D36-S39 WeakPolarHBondContact O-CB 3.4Å; D36-S39 PolarHBondContact O-N 3.31Å; S39-S42 WeakPolarHBondContact CA-OG 3.42Å; S39-S42 PolarHBondContact O-OG 3.43Å; S39-V43 WeakPolarHBondContact O-CB 3.49Å; S39-V43 VanDerWaalsContact O-CG2 3.22Å; S39-V43 WeakPolarHBondContact O-CG2 3.5Å; S39-V43 PolarHBondContact O-N 3.27Å
40	L	89.4	Confident	82.4	Confident	73 Å²	73	113.3 Å²	113.3	38%	0.382	59%	0.585	S	S	.	*	H	α-helix	trans	-65.6	-47	177.2	-172.6	134.6	0	0	0	112.2	D36 W37 F38 S42 V43 I44	D36-L40 PolarHBondContact O-N 3.36Å; W37-L40 HydrophobicContact CE3-CD2 4.24Å; W37-L40 HydrophobicContact CZ3-CD2 4.08Å; W37-L40 PolarHBondContact O-N 3.14Å; F38-L40 VanDerWaalsContact C-N 3.35Å; L40-S42 PolarHBondContact O-N 3.19Å; L40-V43 PolarHBondContact O-N 3.22Å; L40-I44 HydrophobicContact CD2-CD1 3.5Å; L40-I44 HydrophobicContact CG-CD1 4.11Å; L40-I44 VanDerWaalsContact O-CG1 3.31Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.32Å
41	A	93.5	Very high	82.7	Confident	41 Å²	41	112.8 Å²	112.8	34%	0.339	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-42.3	178.7	0	0	0	0	0	112.3	W37 I44 F45	W37-A41 VanDerWaalsContact O-CB 3.3Å; W37-A41 WeakPolarHBondContact O-CB 3.27Å; W37-A41 PolarHBondContact O-N 3.42Å; A41-I44 PolarHBondContact O-N 3.14Å; A41-F45 WeakPolarHBondContact O-CB 3.42Å; A41-F45 PolarHBondContact O-N 2.98Å
42	S	90.9	Very high	83.2	Confident	67 Å²	67	109 Å²	109	47%	0.469	56%	0.561	S	S	.	*	H	α-helix	trans	-66.2	-39.9	177.9	59.6	0	0	0	0	112.6	F38 S39 L40 F45 L46	F38-S42 VanDerWaalsContact O-CB 3.29Å; F38-S42 WeakPolarHBondContact O-CB 3.49Å; F38-S42 PolarHBondContact O-N 3.39Å; F38-S42 PolarHBondContact O-OG 3.3Å; S39-S42 WeakPolarHBondContact CA-OG 3.42Å; S39-S42 PolarHBondContact O-OG 3.43Å; L40-S42 PolarHBondContact O-N 3.19Å; S42-F45 PolarHBondContact O-N 2.83Å; S42-L46 WeakPolarHBondContact O-CB 2.9Å; S42-L46 PolarHBondContact O-N 2.85Å
43	V	90.1	Very high	83.9	Confident	78 Å²	78	111 Å²	111	47%	0.473	56%	0.557	S	S	.	*	H	α-helix	trans	-64.7	-44.8	175	170.3	0	0	0	0	111.1	S39 L40 F45 L46 L47	S39-V43 WeakPolarHBondContact O-CB 3.49Å; S39-V43 VanDerWaalsContact O-CG2 3.22Å; S39-V43 WeakPolarHBondContact O-CG2 3.5Å; S39-V43 PolarHBondContact O-N 3.27Å; L40-V43 PolarHBondContact O-N 3.22Å; V43-F45 PolarHBondContact O-N 3.25Å; V43-L46 PolarHBondContact O-N 3.32Å; V43-L47 HydrophobicContact CG1-CD1 3.89Å; V43-L47 HydrophobicContact CG1-CG 4.36Å; V43-L47 WeakPolarHBondContact O-CB 3.06Å; V43-L47 VanDerWaalsContact O-CG 3.3Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 3.02Å
44	I	90.6	Very high	84.2	Confident	83 Å²	83	106 Å²	106	43%	0.426	55%	0.551	S	S	.	*	H	α-helix	trans	-61.5	-46.1	176.9	-69.5	169.8	0	0	0	110.5	L40 A41 L46 L47 L48	L40-I44 HydrophobicContact CD2-CD1 3.5Å; L40-I44 HydrophobicContact CG-CD1 4.11Å; L40-I44 VanDerWaalsContact O-CG1 3.31Å; L40-I44 WeakPolarHBondContact O-CG1 3.47Å; L40-I44 PolarHBondContact O-N 3.32Å; A41-I44 PolarHBondContact O-N 3.14Å; I44-L46 PolarHBondContact O-N 3.23Å; I44-L47 PolarHBondContact O-N 2.75Å; I44-L48 HydrophobicContact CG2-CD1 3.77Å; I44-L48 HydrophobicContact CG2-CG 4.36Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 WeakPolarHBondContact O-CG 3.37Å; I44-L48 PolarHBondContact O-N 2.8Å
45	F	91.9	Very high	83.9	Confident	121 Å²	121	100.3 Å²	100.3	53%	0.531	53%	0.529	S	S	.	.	H	α-helix	trans	-58.3	-48	176.5	178.8	-94.2	0	0	0	111.3	A41 S42 V43 L47 L48 F49	A41-F45 WeakPolarHBondContact O-CB 3.42Å; A41-F45 PolarHBondContact O-N 2.98Å; S42-F45 PolarHBondContact O-N 2.83Å; V43-F45 PolarHBondContact O-N 3.25Å; F45-L47 PolarHBondContact O-N 3.48Å; F45-L48 PolarHBondContact O-N 3.29Å; F45-F49 AromaticContact CD2-CD2 3.42Å; F45-F49 HydrophobicContact CD2-CD2 3.42Å; F45-F49 VanDerWaalsContact CD2-CD2 3.42Å; F45-F49 AromaticContact CD2-CE2 3.52Å; F45-F49 HydrophobicContact CD2-CE2 3.52Å; F45-F49 HydrophobicContact CD2-CG 4.3Å; F45-F49 HydrophobicContact CD2-CZ 4.47Å; F45-F49 HydrophobicContact CE1-CB 4.44Å; F45-F49 HydrophobicContact CE1-CD2 4.44Å; F45-F49 HydrophobicContact CE1-CG 4.47Å; F45-F49 HydrophobicContact CE2-CD1 4.35Å; F45-F49 AromaticContact CE2-CD2 3.32Å; F45-F49 HydrophobicContact CE2-CD2 3.32Å; F45-F49 HydrophobicContact CE2-CE1 4.36Å; F45-F49 AromaticContact CE2-CE2 3.35Å; F45-F49 HydrophobicContact CE2-CE2 3.35Å; F45-F49 AromaticContact CE2-CG 3.85Å; F45-F49 HydrophobicContact CE2-CG 3.85Å; F45-F49 AromaticContact CE2-CZ 3.9Å; F45-F49 HydrophobicContact CE2-CZ 3.9Å; F45-F49 HydrophobicContact CG-CD2 4.04Å; F45-F49 HydrophobicContact CZ-CB 4.36Å; F45-F49 HydrophobicContact CZ-CD1 4.39Å; F45-F49 AromaticContact CZ-CD2 3.88Å; F45-F49 HydrophobicContact CZ-CD2 3.88Å; F45-F49 HydrophobicContact CZ-CE2 4.25Å; F45-F49 AromaticContact CZ-CG 3.95Å; F45-F49 HydrophobicContact CZ-CG 3.95Å; F45-F49 WeakPolarHBondContact O-CB 3.45Å; F45-F49 WeakPolarHBondContact O-CD2 3.25Å; F45-F49 PolarHBondContact O-N 2.91Å
46	L	88.8	Confident	83.3	Confident	115 Å²	115	97.4 Å²	97.4	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-58.3	-48.2	177.4	-172.8	82.4	0	0	0	111.4	S42 V43 I44 L48 F49 A50	S42-L46 WeakPolarHBondContact O-CB 2.9Å; S42-L46 PolarHBondContact O-N 2.85Å; V43-L46 PolarHBondContact O-N 3.32Å; I44-L46 PolarHBondContact O-N 3.23Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 2.98Å; L46-F49 PolarHBondContact O-N 3.13Å; L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.45Å
47	L	86.4	Confident	82.1	Confident	125 Å²	125	101.1 Å²	101.1	65%	0.654	53%	0.533	S	S	*	.	H	α-helix	trans	-64.8	-35.1	-178	-71.7	173.8	0	0	0	112.7	V43 I44 F45 P51	V43-L47 HydrophobicContact CG1-CD1 3.89Å; V43-L47 HydrophobicContact CG1-CG 4.36Å; V43-L47 WeakPolarHBondContact O-CB 3.06Å; V43-L47 VanDerWaalsContact O-CG 3.3Å; V43-L47 WeakPolarHBondContact O-CG 3.49Å; V43-L47 PolarHBondContact O-N 3.02Å; I44-L47 PolarHBondContact O-N 2.75Å; F45-L47 PolarHBondContact O-N 3.48Å; L47-P51 VanDerWaalsContact O-CD 3.24Å; L47-P51 WeakPolarHBondContact O-CD 3.13Å
48	L	84.9	Confident	80.7	Confident	106 Å²	106	94 Å²	94	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-77.5	-41.7	178.4	-68.7	175.3	0	0	0	112.3	I44 F45 L46 F52	I44-L48 HydrophobicContact CG2-CD1 3.77Å; I44-L48 HydrophobicContact CG2-CG 4.36Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 WeakPolarHBondContact O-CG 3.37Å; I44-L48 PolarHBondContact O-N 2.8Å; F45-L48 PolarHBondContact O-N 3.29Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 2.98Å; L48-F52 WeakPolarHBondContact O-CD2 3.34Å
49	F	83.4	Confident	79.6	Confident	102 Å²	102	95 Å²	95	45%	0.447	51%	0.514	S	S	.	.	H	α-helix	trans	-90.6	-26.9	-173.1	-79.3	-93.2	0	0	0	114.1	F45 L46 F52 I53	F45-F49 AromaticContact CD2-CD2 3.42Å; F45-F49 HydrophobicContact CD2-CD2 3.42Å; F45-F49 VanDerWaalsContact CD2-CD2 3.42Å; F45-F49 AromaticContact CD2-CE2 3.52Å; F45-F49 HydrophobicContact CD2-CE2 3.52Å; F45-F49 HydrophobicContact CD2-CG 4.3Å; F45-F49 HydrophobicContact CD2-CZ 4.47Å; F45-F49 HydrophobicContact CE1-CB 4.44Å; F45-F49 HydrophobicContact CE1-CD2 4.44Å; F45-F49 HydrophobicContact CE1-CG 4.47Å; F45-F49 HydrophobicContact CE2-CD1 4.35Å; F45-F49 AromaticContact CE2-CD2 3.32Å; F45-F49 HydrophobicContact CE2-CD2 3.32Å; F45-F49 HydrophobicContact CE2-CE1 4.36Å; F45-F49 AromaticContact CE2-CE2 3.35Å; F45-F49 HydrophobicContact CE2-CE2 3.35Å; F45-F49 AromaticContact CE2-CG 3.85Å; F45-F49 HydrophobicContact CE2-CG 3.85Å; F45-F49 AromaticContact CE2-CZ 3.9Å; F45-F49 HydrophobicContact CE2-CZ 3.9Å; F45-F49 HydrophobicContact CG-CD2 4.04Å; F45-F49 HydrophobicContact CZ-CB 4.36Å; F45-F49 HydrophobicContact CZ-CD1 4.39Å; F45-F49 AromaticContact CZ-CD2 3.88Å; F45-F49 HydrophobicContact CZ-CD2 3.88Å; F45-F49 HydrophobicContact CZ-CE2 4.25Å; F45-F49 AromaticContact CZ-CG 3.95Å; F45-F49 HydrophobicContact CZ-CG 3.95Å; F45-F49 WeakPolarHBondContact O-CB 3.45Å; F45-F49 WeakPolarHBondContact O-CD2 3.25Å; F45-F49 PolarHBondContact O-N 2.91Å; L46-F49 PolarHBondContact O-N 3.13Å; F49-F52 PolarHBondContact O-N 3.07Å; F49-I53 HydrophobicContact CB-CD1 4.23Å; F49-I53 VanDerWaalsContact O-CG1 3.29Å; F49-I53 WeakPolarHBondContact O-CG1 3.28Å; F49-I53 PolarHBondContact O-N 3.47Å
50	A	81.3	Confident	78.7	Confident	39 Å²	39	98.7 Å²	98.7	32%	0.322	53%	0.529	S	S	.	.	H	α-helix	trans	-53.1	-47.3	177.3	0	0	0	0	0	114.3	L46 F52 I53 V54	L46-A50 WeakPolarHBondContact O-CB 3.32Å; L46-A50 PolarHBondContact O-N 3.45Å; A50-F52 VanDerWaalsContact C-N 3.33Å; A50-F52 PolarHBondContact O-N 3.48Å; A50-I53 PolarHBondContact O-N 3.46Å; A50-V54 WeakPolarHBondContact O-CG2 3.26Å; A50-V54 PolarHBondContact O-N 3.48Å
51	P	72.8	Confident	77.7	Confident	49 Å²	49	98.6 Å²	98.6	32%	0.318	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-36.4	179	22.5	-31.8	0	0	0	112.8	L47 T55	L47-P51 VanDerWaalsContact O-CD 3.24Å; L47-P51 WeakPolarHBondContact O-CD 3.13Å; P51-T55 PolarHBondContact O-N 3.24Å; P51-T55 PolarHBondContact O-OG1 3.23Å
52	F	72.9	Confident	76.6	Confident	156 Å²	156	100.1 Å²	100.1	68%	0.684	54%	0.536	S	S	*	.	H	α-helix	trans	-65.6	-43.3	175.5	-79.2	-87.3	0	0	0	111.9	L48 F49 A50 G56	L48-F52 WeakPolarHBondContact O-CD2 3.34Å; F49-F52 PolarHBondContact O-N 3.07Å; A50-F52 VanDerWaalsContact C-N 3.33Å; A50-F52 PolarHBondContact O-N 3.48Å; F52-G56 PolarHBondContact O-N 3.48Å
53	I	74.1	Confident	75.6	Confident	136 Å²	136	100.6 Å²	100.6	70%	0.697	53%	0.533	S	S	*	.	H	α-helix	trans	-65.7	-43	179.8	-67	166.6	0	0	0	111.4	F49 A50	F49-I53 HydrophobicContact CB-CD1 4.23Å; F49-I53 VanDerWaalsContact O-CG1 3.29Å; F49-I53 WeakPolarHBondContact O-CG1 3.28Å; F49-I53 PolarHBondContact O-N 3.47Å; A50-I53 PolarHBondContact O-N 3.46Å
54	V	71.9	Confident	74.6	Confident	118 Å²	118	105.4 Å²	105.4	72%	0.715	54%	0.543	S	S	*	.	H	α-helix	trans	-80.3	-32.6	-171	174.6	0	0	0	0	112.9	A50	A50-V54 WeakPolarHBondContact O-CG2 3.26Å; A50-V54 PolarHBondContact O-N 3.48Å
55	T	67.1	Low	73.8	Confident	62 Å²	62	105.6 Å²	105.6	38%	0.38	56%	0.557	S	S	.	*	H	α-helix	trans	-120.9	-12	-168.6	60.2	0	0	0	0	115.5	P51 H57 A58	P51-T55 PolarHBondContact O-N 3.24Å; P51-T55 PolarHBondContact O-OG1 3.23Å; T55-H57 PolarHBondContact O-N 2.88Å; T55-A58 HydrophobicContact CG2-CB 4.05Å
56	G	65.4	Low	72.9	Confident	43 Å²	43	108.3 Å²	108.3	44%	0.443	57%	0.568	S	S	.	*	S	Bend	trans	65.6	-40.2	175.9	0	0	0	0	0	116	F52	F52-G56 PolarHBondContact O-N 3.48Å
57	H	60.3	Low	72	Confident	189 Å²	189	104.6 Å²	104.6	88%	0.875	55%	0.55	S	S	*	*	S	Bend	trans	-153	7.6	-173.1	-68.9	89.3	0	0	0	114.6	T55	T55-H57 PolarHBondContact O-N 2.88Å
58	A	60.6	Low	71.5	Confident	42 Å²	42	101.1 Å²	101.1	35%	0.347	54%	0.535	S	S	.	.			trans	-78.2	134.1	-177.1	0	0	0	0	0	112	T55	T55-A58 HydrophobicContact CG2-CB 4.05Å
59	R	68.7	Low	71.3	Confident	188 Å²	188	101 Å²	101	71%	0.709	54%	0.541	S	S	*	.			trans	-77.9	148.8	171.3	-70	176.6	165.1	175.1	-4.2	109.2	S61 D62 I63	R59-S61 WeakPolarHBondContact CB-OG 3.3Å; R59-S61 PolarHBondContact O-N 2.82Å; R59-D62 PolarHBondContact N-OD2 3.36Å; R59-D62 WeakPolarHBondContact O-CB 3.37Å; R59-D62 PolarHBondContact O-N 3.38Å; R59-I63 PolarHBondContact O-N 3.15Å
60	L	67.7	Low	71.3	Confident	140 Å²	140	100 Å²	100	73%	0.733	54%	0.539	S	S	*	.	H	α-helix	trans	-53.2	-30.3	174.9	-69	172.9	0	0	0	112.3	D62 I63 W64	L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 3.25Å; L60-I63 HydrophobicContact CD2-CD1 4.44Å; L60-I63 PolarHBondContact O-N 3.39Å; L60-W64 PolarHBondContact O-N 2.89Å; L60-W64 VanDerWaalsContact O-N 3.08Å
61	S	67.9	Low	71.6	Confident	70 Å²	70	100.5 Å²	100.5	49%	0.49	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-36.9	173.9	54.7	0	0	0	0	113.6	R59 I63 W64 A65	R59-S61 WeakPolarHBondContact CB-OG 3.3Å; R59-S61 PolarHBondContact O-N 2.82Å; S61-I63 VanDerWaalsContact C-N 3.34Å; S61-W64 PolarHBondContact O-N 3.4Å; S61-A65 WeakPolarHBondContact O-CB 3.18Å; S61-A65 PolarHBondContact O-N 3.08Å
62	D	70.8	Confident	72.3	Confident	73 Å²	73	108 Å²	108	39%	0.39	56%	0.561	S	S	.	*	H	α-helix	trans	-74.8	-31.7	-176.9	-55	-30.3	0	0	0	110.9	R59 L60 K66	R59-D62 PolarHBondContact N-OD2 3.36Å; R59-D62 WeakPolarHBondContact O-CB 3.37Å; R59-D62 PolarHBondContact O-N 3.38Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 3.25Å; D62-K66 WeakPolarHBondContact O-CG 3.33Å; D62-K66 PolarHBondContact O-N 2.84Å
63	I	70.1	Confident	72.9	Confident	77 Å²	77	108.3 Å²	108.3	40%	0.395	56%	0.561	S	S	.	*	H	α-helix	trans	-66.5	-47.9	171.9	-60.4	170.6	0	0	0	109.1	R59 L60 S61 A65 K66 T67	R59-I63 PolarHBondContact O-N 3.15Å; L60-I63 HydrophobicContact CD2-CD1 4.44Å; L60-I63 PolarHBondContact O-N 3.39Å; S61-I63 VanDerWaalsContact C-N 3.34Å; I63-A65 PolarHBondContact O-N 2.86Å; I63-K66 PolarHBondContact O-N 3.36Å; I63-T67 PolarHBondContact O-N 3.07Å; I63-T67 PolarHBondContact O-OG1 2.72Å
64	W	69.6	Low	73.6	Confident	179 Å²	179	101.8 Å²	101.8	68%	0.678	53%	0.528	S	S	*	.	H	α-helix	trans	-63.3	-40.6	179.2	-161.8	-97.2	0	0	0	112.5	L60 S61 K66 T67 W160	L60-W64 PolarHBondContact O-N 2.89Å; L60-W64 VanDerWaalsContact O-N 3.08Å; S61-W64 PolarHBondContact O-N 3.4Å; W64-K66 VanDerWaalsContact C-N 3.28Å; W64-K66 PolarHBondContact O-N 3.17Å; W64-T67 VanDerWaalsContact O-CB 3.31Å; W64-T67 WeakPolarHBondContact O-CB 3.41Å; W64-T67 PolarHBondContact O-N 2.71Å; W64-T67 VanDerWaalsContact O-N 3.17Å; W64-T67 PolarHBondContact O-OG1 3.04Å; W64-W160 AromaticContact CH2-CH2 3.65Å; W64-W160 HydrophobicContact CH2-CH2 3.65Å; W64-W160 AromaticContact CH2-CZ2 3.83Å; W64-W160 HydrophobicContact CH2-CZ2 3.83Å; W64-W160 HydrophobicContact CZ2-CH2 4.16Å; W64-W160 HydrophobicContact CZ2-CZ2 4.23Å; W64-W160 HydrophobicContact CZ3-CZ2 4.42Å
65	A	72.1	Confident	74.5	Confident	87 Å²	87	97.8 Å²	97.8	72%	0.719	51%	0.507	S	S	*	.	H	α-helix	trans	-66.1	-28.3	178.6	0	0	0	0	0	113.5	S61 I63 T67	S61-A65 WeakPolarHBondContact O-CB 3.18Å; S61-A65 PolarHBondContact O-N 3.08Å; I63-A65 PolarHBondContact O-N 2.86Å; A65-T67 VanDerWaalsContact C-N 3.33Å
66	K	73.5	Confident	75.6	Confident	178 Å²	178	100.5 Å²	100.5	77%	0.774	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.5	176.9	-72.2	177.8	-179	-179.6	0	113.6	D62 I63 W64 P68	D62-K66 WeakPolarHBondContact O-CG 3.33Å; D62-K66 PolarHBondContact O-N 2.84Å; I63-K66 PolarHBondContact O-N 3.36Å; W64-K66 VanDerWaalsContact C-N 3.28Å; W64-K66 PolarHBondContact O-N 3.17Å; K66-P68 VanDerWaalsContact O-CD 3.29Å; K66-P68 WeakPolarHBondContact O-CD 3.34Å
67	T	70.2	Confident	76.9	Confident	37 Å²	37	100.8 Å²	100.8	23%	0.227	51%	0.507	C	S	.	.	S	Bend	trans	-79.1	113.4	-175.3	-53.6	0	0	0	0	109.2	I63 W64 A65 I156	I63-T67 PolarHBondContact O-N 3.07Å; I63-T67 PolarHBondContact O-OG1 2.72Å; W64-T67 VanDerWaalsContact O-CB 3.31Å; W64-T67 WeakPolarHBondContact O-CB 3.41Å; W64-T67 PolarHBondContact O-N 2.71Å; W64-T67 VanDerWaalsContact O-N 3.17Å; W64-T67 PolarHBondContact O-OG1 3.04Å; A65-T67 VanDerWaalsContact C-N 3.33Å; T67-I156 HydrophobicContact CG2-CD1 4.43Å; T67-I156 HydrophobicContact CG2-CG2 3.29Å
68	P	76.4	Confident	78.4	Confident	53 Å²	53	94.2 Å²	94.2	34%	0.344	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-61.8	134.3	177.7	-0.9	7.8	0	0	0	109.9	K66 I156 P157	K66-P68 VanDerWaalsContact O-CD 3.29Å; K66-P68 WeakPolarHBondContact O-CD 3.34Å; P68-I156 HydrophobicContact CG-CB 4.39Å; P68-I156 HydrophobicContact CG-CD1 4.13Å; P68-P157 HydrophobicContact CB-CG 4.42Å
69	P	80.8	Confident	79.9	Confident	102 Å²	102	96.2 Å²	96.2	66%	0.662	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-67.2	167.4	174.8	29.8	-34.8	0	0	0	110.7	T71	P69-T71 WeakPolarHBondContact O-CG2 3.33Å; P69-T71 PolarHBondContact O-N 2.93Å
70	I	82.8	Confident	81.1	Confident	82 Å²	82	93.2 Å²	93.2	42%	0.421	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-53.5	125.2	175.1	-66	163.8	0	0	0	109.6	W160 I164	I70-W160 HydrophobicContact CD1-CB 3.88Å; I70-W160 HydrophobicContact CD1-CG 4.45Å; I70-W160 HydrophobicContact CG1-CB 3.46Å; I70-W160 VanDerWaalsContact CG1-CB 3.46Å; I70-W160 HydrophobicContact CG1-CG 3.94Å; I70-I164 HydrophobicContact CD1-CD1 3.41Å; I70-I164 VanDerWaalsContact CD1-CD1 3.41Å
71	T	88.4	Confident	82.3	Confident	50 Å²	50	92 Å²	92	31%	0.307	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-102.6	148	176.9	70.4	0	0	0	0	110.4	P69 K73 A74 A75 P157	P69-T71 WeakPolarHBondContact O-CG2 3.33Å; P69-T71 PolarHBondContact O-N 2.93Å; T71-K73 PolarHBondContact O-N 2.95Å; T71-A74 PolarHBondContact O-N 2.91Å; T71-A74 VanDerWaalsContact OG1-CB 3.3Å; T71-A74 WeakPolarHBondContact OG1-CB 3.32Å; T71-A74 PolarHBondContact OG1-N 3.01Å; T71-A75 PolarHBondContact O-N 3.07Å; T71-A75 VanDerWaalsContact O-N 3.07Å; T71-P157 HydrophobicContact CG2-CG 4.13Å
72	R	86.4	Confident	83.5	Confident	207 Å²	207	90.7 Å²	90.7	78%	0.781	46%	0.455	S	S	*	.	H	α-helix	trans	-59.4	-36.8	175.5	-177.5	179.7	-83.4	-150.2	-2.9	111.8	A75 Q76	R72-A75 PolarHBondContact O-N 2.79Å; R72-Q76 HydrophobicContact CG-CG 4.49Å; R72-Q76 WeakPolarHBondContact O-CG 3.41Å; R72-Q76 PolarHBondContact O-N 3.45Å
73	K	87	Confident	84.6	Confident	161 Å²	161	90.5 Å²	90.5	70%	0.7	46%	0.456	S	S	*	.	H	α-helix	trans	-61	-47.3	177	-69.5	-169.9	178	-175.9	0	111.6	T71 Q76 L77	T71-K73 PolarHBondContact O-N 2.95Å; K73-Q76 PolarHBondContact O-N 3.19Å; K73-L77 WeakPolarHBondContact O-CB 3.23Å; K73-L77 PolarHBondContact O-N 3.36Å
74	A	88.3	Confident	85.6	Confident	0 Å²	0	89.6 Å²	89.6	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-66	-39.7	178.6	0	0	0	0	0	112.2	T71 Q76 L77 Y78 N154 P157 L158	T71-A74 PolarHBondContact O-N 2.91Å; T71-A74 VanDerWaalsContact OG1-CB 3.3Å; T71-A74 WeakPolarHBondContact OG1-CB 3.32Å; T71-A74 PolarHBondContact OG1-N 3.01Å; A74-Q76 PolarHBondContact O-N 2.95Å; A74-L77 PolarHBondContact O-N 3.06Å; A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.34Å; A74-Y78 PolarHBondContact O-N 3.44Å; A74-N154 HydrophobicContact CB-CB 4.4Å; A74-P157 HydrophobicContact CB-CB 3.33Å; A74-P157 HydrophobicContact CB-CG 4.43Å; A74-L158 HydrophobicContact CB-CD2 4.37Å; A74-L158 HydrophobicContact CB-CG 4.49Å
75	A	89.7	Confident	86.7	Confident	33 Å²	33	84 Å²	84	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-43.2	175.9	0	0	0	0	0	112.2	T71 R72 T79	T71-A75 PolarHBondContact O-N 3.07Å; T71-A75 VanDerWaalsContact O-N 3.07Å; R72-A75 PolarHBondContact O-N 2.79Å; A75-T79 VanDerWaalsContact O-CB 3.31Å; A75-T79 WeakPolarHBondContact O-CB 3.31Å; A75-T79 PolarHBondContact O-N 2.86Å; A75-T79 PolarHBondContact O-OG1 3.43Å
76	Q	91.8	Very high	87.6	Confident	119 Å²	119	83.6 Å²	83.6	56%	0.556	42%	0.42	S	S	*	.	H	α-helix	trans	-62.7	-47.1	174.8	-74.1	173.5	-36.9	0	0	111.5	R72 K73 A74 Y78 T79 L80	R72-Q76 HydrophobicContact CG-CG 4.49Å; R72-Q76 WeakPolarHBondContact O-CG 3.41Å; R72-Q76 PolarHBondContact O-N 3.45Å; K73-Q76 PolarHBondContact O-N 3.19Å; A74-Q76 PolarHBondContact O-N 2.95Å; Q76-Y78 PolarHBondContact O-N 3.44Å; Q76-T79 PolarHBondContact O-N 3.43Å; Q76-L80 VanDerWaalsContact O-CB 3.23Å; Q76-L80 WeakPolarHBondContact O-CB 3.48Å; Q76-L80 PolarHBondContact O-N 3.19Å
77	L	92.1	Very high	88.4	Confident	49 Å²	49	79.6 Å²	79.6	26%	0.257	41%	0.406	S	S	.	.	H	α-helix	trans	-59	-48.2	178.3	-178.9	64.8	0	0	0	111.3	K73 A74 L80 W81 I150 L158	K73-L77 WeakPolarHBondContact O-CB 3.23Å; K73-L77 PolarHBondContact O-N 3.36Å; A74-L77 PolarHBondContact O-N 3.06Å; L77-L80 PolarHBondContact O-N 3.06Å; L77-W81 VanDerWaalsContact O-CB 3.25Å; L77-W81 WeakPolarHBondContact O-CB 3.37Å; L77-W81 PolarHBondContact O-N 3.35Å; L77-I150 HydrophobicContact CD1-CD1 3.96Å; L77-I150 HydrophobicContact CD2-CD1 3.82Å; L77-I150 HydrophobicContact CD2-CG1 3.76Å; L77-L158 HydrophobicContact CD2-CD1 4.34Å; L77-L158 HydrophobicContact CD2-CD2 4.29Å
78	Y	91.8	Very high	89.2	Confident	52 Å²	52	78.7 Å²	78.7	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-63	-46.4	179.3	-172.5	-105.8	0	0	0	111.8	A74 Q76 W81 V82 L158 C161 A162 L165	A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.34Å; A74-Y78 PolarHBondContact O-N 3.44Å; Q76-Y78 PolarHBondContact O-N 3.44Å; Y78-W81 PolarHBondContact O-N 2.62Å; Y78-V82 HydrophobicContact CD1-CG2 4.21Å; Y78-V82 HydrophobicContact CD2-CG2 4.47Å; Y78-V82 HydrophobicContact CE1-CG2 3.86Å; Y78-V82 HydrophobicContact CE2-CG2 4.11Å; Y78-V82 WeakPolarHBondContact O-CB 3.19Å; Y78-V82 WeakPolarHBondContact O-CG2 3.38Å; Y78-V82 PolarHBondContact O-N 3.32Å; Y78-L158 HydrophobicContact CD2-CD2 4.3Å; Y78-C161 HydrophobicContact CD1-CB 3.64Å; Y78-C161 HydrophobicContact CD2-CB 4.3Å; Y78-C161 HydrophobicContact CE1-CB 4.15Å; Y78-C161 HydrophobicContact CG-CB 3.72Å; Y78-A162 HydrophobicContact CE2-CB 4.19Å; Y78-A162 WeakPolarHBondContact OH-CA 3.24Å; Y78-L165 HydrophobicContact CE1-CB 4.15Å; Y78-L165 HydrophobicContact CE1-CD2 3.71Å; Y78-L165 WeakPolarHBondContact OH-CD2 3.35Å
79	T	92	Very high	89.6	Confident	84 Å²	84	81.9 Å²	81.9	52%	0.515	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-45	179.6	-55.8	0	0	0	0	111.3	A75 Q76 W81 V82 T83	A75-T79 VanDerWaalsContact O-CB 3.31Å; A75-T79 WeakPolarHBondContact O-CB 3.31Å; A75-T79 PolarHBondContact O-N 2.86Å; A75-T79 PolarHBondContact O-OG1 3.43Å; Q76-T79 PolarHBondContact O-N 3.43Å; T79-W81 VanDerWaalsContact C-N 3.32Å; T79-W81 PolarHBondContact O-N 3.16Å; T79-V82 PolarHBondContact O-N 3.01Å; T79-T83 VanDerWaalsContact O-CB 3.3Å; T79-T83 WeakPolarHBondContact O-CB 3.48Å; T79-T83 PolarHBondContact O-N 3.15Å; T79-T83 PolarHBondContact O-OG1 3.49Å
80	L	94	Very high	89.8	Confident	125 Å²	125	81 Å²	81	65%	0.654	40%	0.398	S	S	*	.	H	α-helix	trans	-61.3	-44.6	177.1	-177.9	65.8	0	0	0	110.6	Q76 L77 T83 F84	Q76-L80 VanDerWaalsContact O-CB 3.23Å; Q76-L80 WeakPolarHBondContact O-CB 3.48Å; Q76-L80 PolarHBondContact O-N 3.19Å; L77-L80 PolarHBondContact O-N 3.06Å; L80-T83 PolarHBondContact O-N 2.86Å; L80-F84 VanDerWaalsContact O-CB 3.32Å; L80-F84 WeakPolarHBondContact O-CB 3.33Å; L80-F84 PolarHBondContact O-N 3.21Å
81	W	93	Very high	89.7	Confident	113 Å²	113	81 Å²	81	43%	0.428	41%	0.406	S	S	.	.	H	α-helix	trans	-63.6	-48.6	178.4	179.1	-109.8	0	0	0	112.6	L77 Y78 T79 T83 F84 Q85 T132	L77-W81 VanDerWaalsContact O-CB 3.25Å; L77-W81 WeakPolarHBondContact O-CB 3.37Å; L77-W81 PolarHBondContact O-N 3.35Å; Y78-W81 PolarHBondContact O-N 2.62Å; T79-W81 VanDerWaalsContact C-N 3.32Å; T79-W81 PolarHBondContact O-N 3.16Å; W81-T83 VanDerWaalsContact C-N 3.32Å; W81-T83 PolarHBondContact O-N 3.2Å; W81-F84 AromaticContact CE3-CD1 3.96Å; W81-F84 HydrophobicContact CE3-CD1 3.96Å; W81-F84 AromaticContact CZ3-CD1 3.79Å; W81-F84 HydrophobicContact CZ3-CD1 3.79Å; W81-F84 HydrophobicContact CZ3-CE1 4.05Å; W81-F84 WeakPolarHBondContact O-CB 3.47Å; W81-F84 PolarHBondContact O-N 2.74Å; W81-Q85 HydrophobicContact CD2-CG 4.42Å; W81-Q85 HydrophobicContact CZ2-CG 4.33Å; W81-Q85 WeakPolarHBondContact O-CG 3.28Å; W81-Q85 PolarHBondContact O-N 3.48Å; W81-T132 HydrophobicContact CH2-CG2 4.05Å
82	V	92.9	Very high	89.2	Confident	43 Å²	43	80.1 Å²	80.1	26%	0.261	40%	0.399	S	S	.	.	H	α-helix	trans	-61.7	-43.1	177.5	170.5	0	0	0	0	110.7	Y78 T79 F84 Q85 V86 L165	Y78-V82 HydrophobicContact CD1-CG2 4.21Å; Y78-V82 HydrophobicContact CD2-CG2 4.47Å; Y78-V82 HydrophobicContact CE1-CG2 3.86Å; Y78-V82 HydrophobicContact CE2-CG2 4.11Å; Y78-V82 WeakPolarHBondContact O-CB 3.19Å; Y78-V82 WeakPolarHBondContact O-CG2 3.38Å; Y78-V82 PolarHBondContact O-N 3.32Å; T79-V82 PolarHBondContact O-N 3.01Å; V82-F84 VanDerWaalsContact C-N 3.31Å; V82-F84 PolarHBondContact O-N 3.39Å; V82-Q85 PolarHBondContact O-N 2.91Å; V82-V86 WeakPolarHBondContact O-CG2 3.36Å; V82-V86 PolarHBondContact O-N 3.44Å; V82-L165 HydrophobicContact CG2-CD2 4.44Å
83	T	92.9	Very high	88.4	Confident	69 Å²	69	73.3 Å²	73.3	42%	0.423	38%	0.382	S	S	.	.	H	α-helix	trans	-60.6	-43.7	175.8	-55.8	0	0	0	0	110.9	T79 L80 W81 Q85 V86 L87	T79-T83 VanDerWaalsContact O-CB 3.3Å; T79-T83 WeakPolarHBondContact O-CB 3.48Å; T79-T83 PolarHBondContact O-N 3.15Å; T79-T83 PolarHBondContact O-OG1 3.49Å; L80-T83 PolarHBondContact O-N 2.86Å; W81-T83 VanDerWaalsContact C-N 3.32Å; W81-T83 PolarHBondContact O-N 3.2Å; T83-Q85 PolarHBondContact O-N 3.24Å; T83-V86 PolarHBondContact O-N 2.87Å; T83-L87 HydrophobicContact CG2-CD1 4.25Å; T83-L87 HydrophobicContact CG2-CG 4.5Å; T83-L87 WeakPolarHBondContact O-CG 3.22Å; T83-L87 PolarHBondContact O-N 3.48Å
84	F	93.1	Very high	87.6	Confident	58 Å²	58	66.3 Å²	66.3	25%	0.254	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-44.8	175.1	178.3	-119.6	0	0	0	111.9	L80 W81 V82 V86 L87 L88 T132 L135	L80-F84 VanDerWaalsContact O-CB 3.32Å; L80-F84 WeakPolarHBondContact O-CB 3.33Å; L80-F84 PolarHBondContact O-N 3.21Å; W81-F84 AromaticContact CE3-CD1 3.96Å; W81-F84 HydrophobicContact CE3-CD1 3.96Å; W81-F84 AromaticContact CZ3-CD1 3.79Å; W81-F84 HydrophobicContact CZ3-CD1 3.79Å; W81-F84 HydrophobicContact CZ3-CE1 4.05Å; W81-F84 WeakPolarHBondContact O-CB 3.47Å; W81-F84 PolarHBondContact O-N 2.74Å; V82-F84 VanDerWaalsContact C-N 3.31Å; V82-F84 PolarHBondContact O-N 3.39Å; F84-V86 VanDerWaalsContact C-N 3.35Å; F84-V86 PolarHBondContact O-N 2.93Å; F84-L87 PolarHBondContact O-N 2.86Å; F84-L88 HydrophobicContact CD1-CD1 4.05Å; F84-L88 HydrophobicContact CD2-CG 4.35Å; F84-L88 HydrophobicContact CE1-CD1 3.62Å; F84-L88 HydrophobicContact CE1-CG 4.33Å; F84-L88 HydrophobicContact CE2-CD1 4.2Å; F84-L88 HydrophobicContact CE2-CD2 3.95Å; F84-L88 HydrophobicContact CE2-CG 4.03Å; F84-L88 HydrophobicContact CZ-CD1 3.69Å; F84-L88 HydrophobicContact CZ-CD2 3.97Å; F84-L88 HydrophobicContact CZ-CG 4.02Å; F84-L88 WeakPolarHBondContact O-CG 3.35Å; F84-L88 PolarHBondContact O-N 3.31Å; F84-T132 HydrophobicContact CE1-CG2 3.88Å; F84-L135 HydrophobicContact CE1-CD2 3.91Å; F84-L135 HydrophobicContact CE2-CD2 4.46Å; F84-L135 HydrophobicContact CZ-CD2 3.65Å
85	Q	92.3	Very high	86.8	Confident	62 Å²	62	72 Å²	72	29%	0.29	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-40.9	175.4	-67.2	-59.8	-40.8	0	0	112.5	W81 V82 T83 L88 Y89 T132	W81-Q85 HydrophobicContact CD2-CG 4.42Å; W81-Q85 HydrophobicContact CZ2-CG 4.33Å; W81-Q85 WeakPolarHBondContact O-CG 3.28Å; W81-Q85 PolarHBondContact O-N 3.48Å; V82-Q85 PolarHBondContact O-N 2.91Å; T83-Q85 PolarHBondContact O-N 3.24Å; Q85-L88 PolarHBondContact O-N 2.91Å; Q85-Y89 WeakPolarHBondContact O-CB 3.5Å; Q85-Y89 PolarHBondContact O-N 3.21Å; Q85-T132 VanDerWaalsContact NE2-CG2 3.32Å
86	V	90.3	Very high	85.6	Confident	79 Å²	79	71.3 Å²	71.3	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-64.9	-41	175.5	171.9	0	0	0	0	111.4	V82 T83 F84 Y89 T90	V82-V86 WeakPolarHBondContact O-CG2 3.36Å; V82-V86 PolarHBondContact O-N 3.44Å; T83-V86 PolarHBondContact O-N 2.87Å; F84-V86 VanDerWaalsContact C-N 3.35Å; F84-V86 PolarHBondContact O-N 2.93Å; V86-Y89 PolarHBondContact O-N 3.04Å; V86-T90 HydrophobicContact CG1-CG2 4.4Å; V86-T90 WeakPolarHBondContact O-CB 3.37Å; V86-T90 WeakPolarHBondContact O-CG2 3.35Å; V86-T90 PolarHBondContact O-N 3.49Å; V86-T90 PolarHBondContact O-OG1 3.39Å
87	L	90.4	Very high	84.4	Confident	94 Å²	94	70 Å²	70	49%	0.492	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-44.1	175.7	-72.7	172.5	0	0	0	111.3	T83 F84 T90 S91	T83-L87 HydrophobicContact CG2-CD1 4.25Å; T83-L87 HydrophobicContact CG2-CG 4.5Å; T83-L87 WeakPolarHBondContact O-CG 3.22Å; T83-L87 PolarHBondContact O-N 3.48Å; F84-L87 PolarHBondContact O-N 2.86Å; L87-T90 PolarHBondContact O-N 3.48Å; L87-T90 PolarHBondContact O-OG1 3.49Å; L87-S91 WeakPolarHBondContact O-CA 3.43Å; L87-S91 WeakPolarHBondContact O-CB 3.32Å; L87-S91 PolarHBondContact O-N 3.02Å; L87-S91 PolarHBondContact O-OG 2.99Å; L87-S91 VanDerWaalsContact O-OG 3.14Å
88	L	87.6	Confident	83.3	Confident	18 Å²	18	75.5 Å²	75.5	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-47	174.6	-67.5	176.4	0	0	0	111	F84 Q85 T90 L92 N124 A128 T132	F84-L88 HydrophobicContact CD1-CD1 4.05Å; F84-L88 HydrophobicContact CD2-CG 4.35Å; F84-L88 HydrophobicContact CE1-CD1 3.62Å; F84-L88 HydrophobicContact CE1-CG 4.33Å; F84-L88 HydrophobicContact CE2-CD1 4.2Å; F84-L88 HydrophobicContact CE2-CD2 3.95Å; F84-L88 HydrophobicContact CE2-CG 4.03Å; F84-L88 HydrophobicContact CZ-CD1 3.69Å; F84-L88 HydrophobicContact CZ-CD2 3.97Å; F84-L88 HydrophobicContact CZ-CG 4.02Å; F84-L88 WeakPolarHBondContact O-CG 3.35Å; F84-L88 PolarHBondContact O-N 3.31Å; Q85-L88 PolarHBondContact O-N 2.91Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 3.21Å; L88-L92 HydrophobicContact CB-CD1 3.88Å; L88-L92 HydrophobicContact CD2-CD1 3.35Å; L88-L92 HydrophobicContact CD2-CG 4.48Å; L88-L92 HydrophobicContact CG-CD1 4.17Å; L88-L92 VanDerWaalsContact O-CB 3.28Å; L88-L92 WeakPolarHBondContact O-CB 3.16Å; L88-L92 PolarHBondContact O-N 2.89Å; L88-L92 VanDerWaalsContact O-N 3.15Å; L88-N124 PolarHBondContact O-ND2 2.92Å; L88-A128 HydrophobicContact CB-CB 4.36Å; L88-T132 HydrophobicContact CD1-CG2 3.42Å; L88-T132 VanDerWaalsContact CD1-CG2 3.42Å
89	Y	84.3	Confident	82.5	Confident	119 Å²	119	80.4 Å²	80.4	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-58.5	-44.1	179.1	173.2	-109.1	0	0	0	112.6	Q85 V86 N124	Q85-Y89 WeakPolarHBondContact O-CB 3.5Å; Q85-Y89 PolarHBondContact O-N 3.21Å; V86-Y89 PolarHBondContact O-N 3.04Å; Y89-N124 PolarHBondContact O-ND2 2.96Å
90	T	84.4	Confident	81.6	Confident	83 Å²	83	80.1 Å²	80.1	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-83.3	-35.8	-175.1	51.8	0	0	0	0	114	V86 L87 L88	V86-T90 HydrophobicContact CG1-CG2 4.4Å; V86-T90 WeakPolarHBondContact O-CB 3.37Å; V86-T90 WeakPolarHBondContact O-CG2 3.35Å; V86-T90 PolarHBondContact O-N 3.49Å; V86-T90 PolarHBondContact O-OG1 3.39Å; L87-T90 PolarHBondContact O-N 3.48Å; L87-T90 PolarHBondContact O-OG1 3.49Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 3.21Å
91	S	81	Confident	80.2	Confident	84 Å²	84	80.7 Å²	80.7	59%	0.587	41%	0.414	S	S	*	.	H	α-helix	trans	-102.2	-15.7	-166.9	-52.9	0	0	0	0	113.8	L87 P93	L87-S91 WeakPolarHBondContact O-CA 3.43Å; L87-S91 WeakPolarHBondContact O-CB 3.32Å; L87-S91 PolarHBondContact O-N 3.02Å; L87-S91 PolarHBondContact O-OG 2.99Å; L87-S91 VanDerWaalsContact O-OG 3.14Å; S91-P93 WeakPolarHBondContact O-CD 3.25Å
92	L	78.7	Confident	79.2	Confident	30 Å²	30	79.1 Å²	79.1	16%	0.157	43%	0.434	C	S	.	.			trans	-87.1	107.6	176.4	-84.5	153.4	0	0	0	111.7	L88 Q122 N124 L131	L88-L92 HydrophobicContact CB-CD1 3.88Å; L88-L92 HydrophobicContact CD2-CD1 3.35Å; L88-L92 HydrophobicContact CD2-CG 4.48Å; L88-L92 HydrophobicContact CG-CD1 4.17Å; L88-L92 VanDerWaalsContact O-CB 3.28Å; L88-L92 WeakPolarHBondContact O-CB 3.16Å; L88-L92 PolarHBondContact O-N 2.89Å; L88-L92 VanDerWaalsContact O-N 3.15Å; L92-Q122 PolarHBondContact O-NE2 3.21Å; L92-N124 PolarHBondContact O-ND2 3.32Å; L92-L131 HydrophobicContact CD1-CD1 3.4Å; L92-L131 VanDerWaalsContact CD1-CD1 3.4Å; L92-L131 HydrophobicContact CD2-CD1 3.47Å; L92-L131 VanDerWaalsContact CD2-CD1 3.47Å; L92-L131 HydrophobicContact CG-CD1 4.07Å
93	P	68.7	Low	78.3	Confident	65 Å²	65	79.9 Å²	79.9	42%	0.422	43%	0.432	S	S	.	.			trans	-66.2	144.1	165.4	30	-34.5	0	0	0	109.5	S91 F95 Q127	S91-P93 WeakPolarHBondContact O-CD 3.25Å; P93-F95 HydrophobicContact CB-CE2 4.47Å; P93-F95 HydrophobicContact CB-CZ 4.5Å; P93-F95 HydrophobicContact CG-CD2 4.28Å; P93-F95 HydrophobicContact CG-CE2 3.51Å; P93-F95 HydrophobicContact CG-CZ 3.68Å; P93-F95 WeakPolarHBondContact O-CD2 3.46Å; P93-F95 PolarHBondContact O-N 3.48Å; P93-F95 VanDerWaalsContact O-N 3.08Å; P93-Q127 PolarHBondContact O-OE1 3.07Å
94	D	70	Confident	77.3	Confident	13 Å²	13	81 Å²	81	7%	0.07	44%	0.439	C	S	.	.			trans	-77	100.3	-176.8	-177.1	50.6	0	0	0	110.4	H97 G105 G106 N124 Q127	D94-H97 PolarHBondContact O-CE1 2.92Å; D94-H97 PolarHBondContact O-ND1 3.15Å; D94-H97 VanDerWaalsContact OD2-CB 3.26Å; D94-H97 WeakPolarHBondContact OD2-CB 3.42Å; D94-H97 IonicContact OD2-CE1 3.87Å; D94-H97 IonicContact OD2-CG 3.3Å; D94-H97 VanDerWaalsContact OD2-CG 3.3Å; D94-H97 IonicContact OD2-ND1 2.71Å; D94-H97 PolarHBondContact OD2-ND1 3.47Å; D94-G105 WeakPolarHBondContact OD2-CA 3.43Å; D94-G106 PolarHBondContact OD2-N 3.04Å; D94-N124 HydrophobicContact CB-CB 4.39Å; D94-Q127 VanDerWaalsContact C-NE2 3.3Å; D94-Q127 PolarHBondContact OD1-NE2 3.03Å
95	F	71.8	Confident	76.5	Confident	120 Å²	120	78.7 Å²	78.7	53%	0.526	43%	0.431	S	S	.	.			trans	-85	-27	169.3	-64.1	-69.8	0	0	0	114.9	P93 H97 K98 F99	P93-F95 HydrophobicContact CB-CE2 4.47Å; P93-F95 HydrophobicContact CB-CZ 4.5Å; P93-F95 HydrophobicContact CG-CD2 4.28Å; P93-F95 HydrophobicContact CG-CE2 3.51Å; P93-F95 HydrophobicContact CG-CZ 3.68Å; P93-F95 WeakPolarHBondContact O-CD2 3.46Å; P93-F95 PolarHBondContact O-N 3.48Å; P93-F95 VanDerWaalsContact O-N 3.08Å; F95-H97 VanDerWaalsContact C-N 3.34Å; F95-H97 PolarHBondContact O-N 2.96Å; F95-K98 WeakPolarHBondContact O-CB 3.32Å; F95-K98 PolarHBondContact O-N 3.41Å; F95-F99 WeakPolarHBondContact O-CD2 3.41Å
96	C	63.8	Low	75.9	Confident	19 Å²	19	76.4 Å²	76.4	13%	0.128	42%	0.424	C	S	.	.	H	α-helix	trans	-65.6	-29.4	-171.9	-83.4	0	0	0	0	114	K98 F99 L100 Y103 L126 Q127	C96-K98 PolarHBondContact O-N 3.46Å; C96-K98 VanDerWaalsContact O-N 3.17Å; C96-F99 PolarHBondContact O-N 3.14Å; C96-F99 VanDerWaalsContact O-N 3.15Å; C96-L100 PolarHBondContact O-N 2.9Å; C96-Y103 HydrophobicContact CB-CD1 4.23Å; C96-Y103 HydrophobicContact CB-CE1 4.18Å; C96-L126 HydrophobicContact CB-CD2 4.21Å; C96-Q127 HydrophobicContact CB-CG 3.89Å; C96-Q127 WeakPolarHBondContact SG-CG 3.44Å
97	H	67.4	Low	75.4	Confident	91 Å²	91	78.2 Å²	78.2	42%	0.421	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-21	174	75.2	-88.5	0	0	0	113.4	D94 F95 Y103	D94-H97 PolarHBondContact O-CE1 2.92Å; D94-H97 PolarHBondContact O-ND1 3.15Å; D94-H97 VanDerWaalsContact OD2-CB 3.26Å; D94-H97 WeakPolarHBondContact OD2-CB 3.42Å; D94-H97 IonicContact OD2-CE1 3.87Å; D94-H97 IonicContact OD2-CG 3.3Å; D94-H97 VanDerWaalsContact OD2-CG 3.3Å; D94-H97 IonicContact OD2-ND1 2.71Å; D94-H97 PolarHBondContact OD2-ND1 3.47Å; F95-H97 VanDerWaalsContact C-N 3.34Å; F95-H97 PolarHBondContact O-N 2.96Å; H97-Y103 HydrophobicContact CB-CD1 4.16Å
98	K	70.1	Confident	75	Confident	165 Å²	165	77.1 Å²	77.1	72%	0.717	42%	0.422	S	S	*	.	H	α-helix	trans	-80.6	-26.4	178.5	-168.9	169.6	-177.9	174.8	0	112.8	F95 C96	F95-K98 WeakPolarHBondContact O-CB 3.32Å; F95-K98 PolarHBondContact O-N 3.41Å; C96-K98 PolarHBondContact O-N 3.46Å; C96-K98 VanDerWaalsContact O-N 3.17Å
99	F	73.2	Confident	74.8	Confident	155 Å²	155	82.5 Å²	82.5	68%	0.68	45%	0.447	S	S	*	.	H	α-helix	trans	-106.4	-28.2	-172.6	-65.9	-76.8	0	0	0	113.6	F95 C96 P101	F95-F99 WeakPolarHBondContact O-CD2 3.41Å; C96-F99 PolarHBondContact O-N 3.14Å; C96-F99 VanDerWaalsContact O-N 3.15Å; F99-P101 WeakPolarHBondContact O-CD 3.21Å
100	L	72.9	Confident	74.7	Confident	77 Å²	77	78 Å²	78	40%	0.403	44%	0.437	S	S	.	.	S	Bend	trans	-98	110.2	-177.4	-86.2	73.4	0	0	0	111.4	C96 G102 Y103 L126	C96-L100 PolarHBondContact O-N 2.9Å; L100-G102 PolarHBondContact O-N 3.46Å; L100-Y103 PolarHBondContact O-N 3.28Å; L100-L126 HydrophobicContact CD2-CD2 3.74Å
101	P	66.1	Low	74.4	Confident	137 Å²	137	77.5 Å²	77.5	89%	0.89	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	123.5	172.5	25.2	-30.6	0	0	0	109.7	F99	F99-P101 WeakPolarHBondContact O-CD 3.21Å
102	G	70.9	Confident	74.2	Confident	81 Å²	81	77.6 Å²	77.6	84%	0.835	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-6.7	-179	0	0	0	0	0	115.6	L100	L100-G102 PolarHBondContact O-N 3.46Å
103	Y	75.5	Confident	74.3	Confident	59 Å²	59	77.4 Å²	77.4	23%	0.231	44%	0.438	C	S	.	.			trans	-84.7	118.9	171	-178.2	-111.3	0	0	0	110.7	C96 H97 L100 G105 L126	C96-Y103 HydrophobicContact CB-CD1 4.23Å; C96-Y103 HydrophobicContact CB-CE1 4.18Å; H97-Y103 HydrophobicContact CB-CD1 4.16Å; L100-Y103 PolarHBondContact O-N 3.28Å; Y103-G105 PolarHBondContact O-N 2.96Å; Y103-L126 HydrophobicContact CD1-CD2 4.46Å; Y103-L126 HydrophobicContact CD2-CD2 4.13Å; Y103-L126 HydrophobicContact CE1-CB 4.36Å; Y103-L126 HydrophobicContact CE1-CD2 4.44Å; Y103-L126 HydrophobicContact CE2-CB 3.97Å; Y103-L126 HydrophobicContact CE2-CD2 4.12Å; Y103-L126 HydrophobicContact CG-CD2 4.3Å
104	V	71.8	Confident	74.3	Confident	93 Å²	93	77.5 Å²	77.5	56%	0.564	44%	0.438	S	S	*	.			trans	-95.5	91	175.1	-172.7	0	0	0	0	108.4	Q108	V104-Q108 HydrophobicContact CG1-CG 4.32Å
105	G	75.5	Confident	74.7	Confident	9 Å²	9	81 Å²	81	9%	0.093	47%	0.469	C	S	.	.			trans	-110.2	179.5	173.5	0	0	0	0	0	112.2	D94 Y103	D94-G105 WeakPolarHBondContact OD2-CA 3.43Å; Y103-G105 PolarHBondContact O-N 2.96Å
106	G	78.9	Confident	75	Confident	13 Å²	13	77.9 Å²	77.9	13%	0.134	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.4	-159	-179.1	0	0	0	0	0	113.5	D94 Q108 I123	D94-G106 PolarHBondContact OD2-N 3.04Å; G106-Q108 PolarHBondContact O-N 2.75Å; G106-I123 PolarHBondContact N-O 3.45Å; G106-I123 VanDerWaalsContact N-O 3.07Å; G106-I123 PolarHBondContact O-N 3.49Å
107	I	80.8	Confident	75.8	Confident	118 Å²	118	80.8 Å²	80.8	61%	0.605	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	104.4	-177	-58.8	176.8	0	0	0	109.2	K120 Y121	I107-K120 HydrophobicContact CG2-CB 3.86Å; I107-K120 HydrophobicContact CG2-CD 4.35Å; I107-K120 HydrophobicContact CG2-CG 4.45Å; I107-Y121 CarbonylContact C-O 3.59Å; I107-Y121 WeakPolarHBondContact CA-O 3.3Å
108	Q	82.4	Confident	76.4	Confident	71 Å²	71	79.1 Å²	79.1	33%	0.332	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.2	-179.7	-62.9	-59.6	98.4	0	0	111.4	V104 G106 K120 Y121 I123	V104-Q108 HydrophobicContact CG1-CG 4.32Å; G106-Q108 PolarHBondContact O-N 2.75Å; Q108-K120 WeakPolarHBondContact O-CA 3.27Å; Q108-Y121 PolarHBondContact N-O 3.16Å; Q108-Y121 PolarHBondContact O-N 3.2Å; Q108-I123 HydrophobicContact CB-CD1 3.62Å; Q108-I123 HydrophobicContact CB-CG1 4.03Å; Q108-I123 HydrophobicContact CG-CD1 3.54Å; Q108-I123 HydrophobicContact CG-CG1 3.96Å
109	E	83.6	Confident	77	Confident	130 Å²	130	74 Å²	74	61%	0.607	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.1	174.3	-63.2	-161.2	157.7	0	0	110.2	V118 K120	E109-V118 HydrophobicContact CB-CG1 3.67Å; E109-V118 HydrophobicContact CG-CG1 4.07Å; E109-K120 HydrophobicContact CG-CG 4.31Å; E109-K120 VanDerWaalsContact OE1-CE 3.27Å; E109-K120 WeakPolarHBondContact OE1-CE 3.47Å; E109-K120 IonicContact OE1-NZ 3.78Å
110	G	81	Confident	77.5	Confident	25 Å²	25	73.2 Å²	73.2	26%	0.258	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-173.1	176	0	0	0	0	0	112.9	V112 N119	G110-V112 PolarHBondContact O-N 2.98Å; G110-N119 PolarHBondContact N-O 3.33Å
111	A	78.9	Confident	77.9	Confident	72 Å²	72	74.7 Å²	74.7	60%	0.595	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.7	178.4	0	0	0	0	0	111.7	T113	A111-T113 PolarHBondContact O-N 3.38Å
112	V	76.9	Confident	78.7	Confident	87 Å²	87	71.4 Å²	71.4	53%	0.527	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	124.7	172.3	-171.5	0	0	0	0	107.9	W29 G110 V118	W29-V112 VanDerWaalsContact CD1-O 3.24Å; W29-V112 PolarHBondContact NE1-O 3.49Å; W29-V112 VanDerWaalsContact NE1-O 3.13Å; G110-V112 PolarHBondContact O-N 2.98Å; V112-V118 HydrophobicContact CB-CG2 4.47Å; V112-V118 HydrophobicContact CG1-CG2 4.43Å; V112-V118 HydrophobicContact CG2-CG2 3.91Å
113	T	80	Confident	79.3	Confident	25 Å²	25	70.7 Å²	70.7	15%	0.153	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-70.9	159	174.1	58.9	0	0	0	0	110.6	W29 A111 A115 G116 V117	W29-T113 HydrophobicContact CZ2-CG2 4.1Å; A111-T113 PolarHBondContact O-N 3.38Å; T113-A115 PolarHBondContact O-N 3.07Å; T113-G116 WeakPolarHBondContact O-CA 3.32Å; T113-G116 PolarHBondContact O-N 3.2Å; T113-V117 WeakPolarHBondContact CG2-O 3.5Å; T113-V117 PolarHBondContact N-O 3.32Å; T113-V117 WeakPolarHBondContact OG1-CA 3.13Å; T113-V117 WeakPolarHBondContact OG1-CB 3.32Å; T113-V117 PolarHBondContact OG1-N 3.25Å; T113-V117 PolarHBondContact OG1-O 2.86Å
114	P	69.6	Low	80	Confident	67 Å²	67	68.3 Å²	68.3	44%	0.435	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.4	174.6	-26.1	35.8	0	0	0	114.1	Q26 W29 G116	Q26-P114 PolarHBondContact NE2-O 3.4Å; W29-P114 HydrophobicContact CB-CG 3.91Å; W29-P114 HydrophobicContact CD2-CG 4.39Å; W29-P114 HydrophobicContact CG-CG 3.93Å; P114-G116 VanDerWaalsContact C-N 3.27Å
115	A	77.8	Confident	80.6	Confident	87 Å²	87	65.9 Å²	65.9	72%	0.719	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	2.5	173.7	0	0	0	0	0	113.9	T113 V117	T113-A115 PolarHBondContact O-N 3.07Å; A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 PolarHBondContact O-N 2.95Å
116	G	77.3	Confident	81.1	Confident	54 Å²	54	67.8 Å²	67.8	56%	0.557	40%	0.404	S	S	*	.	S	Bend	trans	78.8	3.8	-178.6	0	0	0	0	0	114.9	T113 P114	T113-G116 WeakPolarHBondContact O-CA 3.32Å; T113-G116 PolarHBondContact O-N 3.2Å; P114-G116 VanDerWaalsContact C-N 3.27Å
117	V	80.6	Confident	81.5	Confident	80 Å²	80	68 Å²	68	49%	0.485	40%	0.401	S	S	.	.			trans	-84.4	129	179.3	-176.9	0	0	0	0	110	T113 A115	T113-V117 WeakPolarHBondContact CG2-O 3.5Å; T113-V117 PolarHBondContact N-O 3.32Å; T113-V117 WeakPolarHBondContact OG1-CA 3.13Å; T113-V117 WeakPolarHBondContact OG1-CB 3.32Å; T113-V117 PolarHBondContact OG1-N 3.25Å; T113-V117 PolarHBondContact OG1-O 2.86Å; A115-V117 VanDerWaalsContact C-N 3.28Å; A115-V117 PolarHBondContact O-N 2.95Å
118	V	81.9	Confident	82	Confident	56 Å²	56	62.9 Å²	62.9	34%	0.339	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.8	172.9	-179.1	0	0	0	0	109	E109 V112	E109-V118 HydrophobicContact CB-CG1 3.67Å; E109-V118 HydrophobicContact CG-CG1 4.07Å; V112-V118 HydrophobicContact CB-CG2 4.47Å; V112-V118 HydrophobicContact CG1-CG2 4.43Å; V112-V118 HydrophobicContact CG2-CG2 3.91Å
119	N	80.8	Confident	82.4	Confident	59 Å²	59	66 Å²	66	32%	0.316	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132	179.4	-71.9	-6.1	0	0	0	110.3	G110 Y121	G110-N119 PolarHBondContact N-O 3.33Å; N119-Y121 HydrophobicContact CB-CD2 4.42Å; N119-Y121 HydrophobicContact CB-CE1 4.19Å; N119-Y121 HydrophobicContact CB-CE2 3.54Å; N119-Y121 VanDerWaalsContact CB-CZ 3.4Å; N119-Y121 VanDerWaalsContact CB-OH 3.25Å; N119-Y121 WeakPolarHBondContact CB-OH 3.23Å; N119-Y121 PolarHBondContact ND2-OH 2.94Å
120	K	84.4	Confident	82.7	Confident	137 Å²	137	63 Å²	63	60%	0.596	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.3	174.8	-66.1	-176.5	179.2	-174.3	0	109.5	I107 Q108 E109	I107-K120 HydrophobicContact CG2-CB 3.86Å; I107-K120 HydrophobicContact CG2-CD 4.35Å; I107-K120 HydrophobicContact CG2-CG 4.45Å; Q108-K120 WeakPolarHBondContact O-CA 3.27Å; E109-K120 HydrophobicContact CG-CG 4.31Å; E109-K120 VanDerWaalsContact OE1-CE 3.27Å; E109-K120 WeakPolarHBondContact OE1-CE 3.47Å; E109-K120 IonicContact OE1-NZ 3.78Å
121	Y	82.1	Confident	83.2	Confident	109 Å²	109	65.4 Å²	65.4	43%	0.427	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.3	-179.3	-57.7	-74.8	0	0	0	110.2	I107 Q108 N119 I123	I107-Y121 CarbonylContact C-O 3.59Å; I107-Y121 WeakPolarHBondContact CA-O 3.3Å; Q108-Y121 PolarHBondContact N-O 3.16Å; Q108-Y121 PolarHBondContact O-N 3.2Å; N119-Y121 HydrophobicContact CB-CD2 4.42Å; N119-Y121 HydrophobicContact CB-CE1 4.19Å; N119-Y121 HydrophobicContact CB-CE2 3.54Å; N119-Y121 VanDerWaalsContact CB-CZ 3.4Å; N119-Y121 VanDerWaalsContact CB-OH 3.25Å; N119-Y121 WeakPolarHBondContact CB-OH 3.23Å; N119-Y121 PolarHBondContact ND2-OH 2.94Å; Y121-I123 PolarHBondContact O-N 3.08Å
122	Q	82.8	Confident	83.9	Confident	67 Å²	67	62.7 Å²	62.7	31%	0.313	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.7	168.5	-176.4	171.7	-18.3	0	0	109.4	L92	L92-Q122 PolarHBondContact O-NE2 3.21Å
123	I	83.9	Confident	84.6	Confident	67 Å²	67	63 Å²	63	34%	0.344	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	101.4	176.4	-53.5	-168.1	0	0	0	108	G106 Q108 Y121	G106-I123 PolarHBondContact N-O 3.45Å; G106-I123 VanDerWaalsContact N-O 3.07Å; G106-I123 PolarHBondContact O-N 3.49Å; Q108-I123 HydrophobicContact CB-CD1 3.62Å; Q108-I123 HydrophobicContact CB-CG1 4.03Å; Q108-I123 HydrophobicContact CG-CD1 3.54Å; Q108-I123 HydrophobicContact CG-CG1 3.96Å; Y121-I123 PolarHBondContact O-N 3.08Å
124	N	88.5	Confident	85.2	Confident	8 Å²	8	67 Å²	67	4%	0.043	37%	0.372	C	S	.	.			trans	-123.7	16.7	174.2	61.7	-1.2	0	0	0	112.4	L88 Y89 L92 D94 L126 Q127 A128	L88-N124 PolarHBondContact O-ND2 2.92Å; Y89-N124 PolarHBondContact O-ND2 2.96Å; L92-N124 PolarHBondContact O-ND2 3.32Å; D94-N124 HydrophobicContact CB-CB 4.39Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.33Å; N124-Q127 PolarHBondContact O-N 3.29Å; N124-Q127 VanDerWaalsContact O-N 3.16Å; N124-A128 PolarHBondContact O-N 2.88Å
125	G	85.3	Confident	86.3	Confident	42 Å²	42	67 Å²	67	43%	0.433	37%	0.367	S	S	.	.	H	α-helix	trans	-58.4	-35.8	-171.2	0	0	0	0	0	114.1	W129	G125-W129 WeakPolarHBondContact O-CB 3.35Å; G125-W129 PolarHBondContact O-N 3.45Å
126	L	87.1	Confident	86.9	Confident	50 Å²	50	66.6 Å²	66.6	26%	0.262	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-41.3	179.8	-178.7	61.7	0	0	0	112	C96 L100 Y103 N124 L130	C96-L126 HydrophobicContact CB-CD2 4.21Å; L100-L126 HydrophobicContact CD2-CD2 3.74Å; Y103-L126 HydrophobicContact CD1-CD2 4.46Å; Y103-L126 HydrophobicContact CD2-CD2 4.13Å; Y103-L126 HydrophobicContact CE1-CB 4.36Å; Y103-L126 HydrophobicContact CE1-CD2 4.44Å; Y103-L126 HydrophobicContact CE2-CB 3.97Å; Y103-L126 HydrophobicContact CE2-CD2 4.12Å; Y103-L126 HydrophobicContact CG-CD2 4.3Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.33Å; L126-L130 HydrophobicContact CG-CD1 4.41Å; L126-L130 WeakPolarHBondContact O-CG 3.23Å; L126-L130 PolarHBondContact O-N 2.89Å
127	Q	87.2	Confident	87.6	Confident	16 Å²	16	70.1 Å²	70.1	8%	0.075	35%	0.348	C	S	.	.	H	α-helix	trans	-72.3	-44.6	178.2	-78.2	171	79	0	0	112.2	P93 D94 C96 N124 W129 L130 L131	P93-Q127 PolarHBondContact O-OE1 3.07Å; D94-Q127 VanDerWaalsContact C-NE2 3.3Å; D94-Q127 PolarHBondContact OD1-NE2 3.03Å; C96-Q127 HydrophobicContact CB-CG 3.89Å; C96-Q127 WeakPolarHBondContact SG-CG 3.44Å; N124-Q127 PolarHBondContact O-N 3.29Å; N124-Q127 VanDerWaalsContact O-N 3.16Å; Q127-W129 PolarHBondContact O-N 3.48Å; Q127-L130 PolarHBondContact O-N 3.08Å; Q127-L131 WeakPolarHBondContact O-CB 3.2Å; Q127-L131 WeakPolarHBondContact O-CG 3.3Å; Q127-L131 PolarHBondContact O-N 3.41Å
128	A	89.7	Confident	88.2	Confident	12 Å²	12	67.6 Å²	67.6	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-55.8	-44.8	174.9	0	0	0	0	0	110.1	L88 N124 L131 T132	L88-A128 HydrophobicContact CB-CB 4.36Å; N124-A128 PolarHBondContact O-N 2.88Å; A128-L131 PolarHBondContact O-N 3.01Å; A128-T132 WeakPolarHBondContact O-CG2 3.49Å; A128-T132 PolarHBondContact O-N 2.83Å; A128-T132 PolarHBondContact O-OG1 3.5Å
129	W	91.1	Very high	88.6	Confident	135 Å²	135	64.9 Å²	64.9	51%	0.511	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-49.3	175.6	-178.4	90.8	0	0	0	112.5	G125 Q127 L131 T132 H133	G125-W129 WeakPolarHBondContact O-CB 3.35Å; G125-W129 PolarHBondContact O-N 3.45Å; Q127-W129 PolarHBondContact O-N 3.48Å; W129-L131 PolarHBondContact O-N 2.89Å; W129-T132 PolarHBondContact O-N 3.39Å; W129-T132 PolarHBondContact O-OG1 3.26Å; W129-H133 AromaticContact CD1-CE1 3.31Å; W129-H133 AromaticContact CD1-ND1 3.67Å; W129-H133 AromaticContact CD2-CE1 3.96Å; W129-H133 AromaticContact CD2-ND1 3.72Å; W129-H133 AromaticContact CE2-CE1 3.38Å; W129-H133 AromaticContact CE2-ND1 3.53Å; W129-H133 AromaticContact CE2-NE2 3.77Å; W129-H133 AromaticContact CG-CE1 3.9Å; W129-H133 AromaticContact CG-ND1 3.78Å; W129-H133 AromaticContact CZ2-CE1 3.98Å; W129-H133 AromaticContact CZ2-NE2 3.91Å; W129-H133 AromaticContact NE1-CE1 2.96Å; W129-H133 PolarHBondContact NE1-CE1 3Å; W129-H133 AromaticContact NE1-ND1 3.53Å; W129-H133 AromaticContact NE1-NE2 3.53Å; W129-H133 WeakPolarHBondContact O-CB 3.41Å; W129-H133 PolarHBondContact O-N 2.87Å; W129-H133 PolarHBondContact O-ND1 3.14Å
130	L	90.9	Very high	89	Confident	69 Å²	69	63.7 Å²	63.7	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-47.6	178.4	-77.4	170.8	0	0	0	111.4	L126 Q127 T132 H133 L134	L126-L130 HydrophobicContact CG-CD1 4.41Å; L126-L130 WeakPolarHBondContact O-CG 3.23Å; L126-L130 PolarHBondContact O-N 2.89Å; Q127-L130 PolarHBondContact O-N 3.08Å; L130-T132 PolarHBondContact O-N 2.82Å; L130-H133 PolarHBondContact O-N 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 VanDerWaalsContact O-CG 3.23Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 2.84Å
131	L	91.5	Very high	89.1	Confident	74 Å²	74	63 Å²	63	39%	0.387	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-41.7	-178.7	-72.3	169.6	0	0	0	112.1	L92 Q127 A128 W129 H133 L135	L92-L131 HydrophobicContact CD1-CD1 3.4Å; L92-L131 VanDerWaalsContact CD1-CD1 3.4Å; L92-L131 HydrophobicContact CD2-CD1 3.47Å; L92-L131 VanDerWaalsContact CD2-CD1 3.47Å; L92-L131 HydrophobicContact CG-CD1 4.07Å; Q127-L131 WeakPolarHBondContact O-CB 3.2Å; Q127-L131 WeakPolarHBondContact O-CG 3.3Å; Q127-L131 PolarHBondContact O-N 3.41Å; A128-L131 PolarHBondContact O-N 3.01Å; W129-L131 PolarHBondContact O-N 2.89Å; L131-H133 VanDerWaalsContact C-N 3.34Å; L131-H133 PolarHBondContact O-N 3.4Å; L131-L135 VanDerWaalsContact O-CB 3.22Å; L131-L135 WeakPolarHBondContact O-CB 3.22Å; L131-L135 PolarHBondContact O-N 2.9Å
132	T	92.6	Very high	89.4	Confident	16 Å²	16	64.6 Å²	64.6	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-38.9	177.1	58.3	0	0	0	0	111.7	W81 F84 Q85 L88 A128 W129 L130 W136	W81-T132 HydrophobicContact CH2-CG2 4.05Å; F84-T132 HydrophobicContact CE1-CG2 3.88Å; Q85-T132 VanDerWaalsContact NE2-CG2 3.32Å; L88-T132 HydrophobicContact CD1-CG2 3.42Å; L88-T132 VanDerWaalsContact CD1-CG2 3.42Å; A128-T132 WeakPolarHBondContact O-CG2 3.49Å; A128-T132 PolarHBondContact O-N 2.83Å; A128-T132 PolarHBondContact O-OG1 3.5Å; W129-T132 PolarHBondContact O-N 3.39Å; W129-T132 PolarHBondContact O-OG1 3.26Å; L130-T132 PolarHBondContact O-N 2.82Å; T132-W136 WeakPolarHBondContact O-CB 3.42Å; T132-W136 PolarHBondContact O-N 2.93Å
133	H	91.9	Very high	89.5	Confident	94 Å²	94	64.7 Å²	64.7	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-72.7	-41.8	179.6	-75.4	73	0	0	0	112	W129 L130 L131 L135 W136 F137	W129-H133 AromaticContact CD1-CE1 3.31Å; W129-H133 AromaticContact CD1-ND1 3.67Å; W129-H133 AromaticContact CD2-CE1 3.96Å; W129-H133 AromaticContact CD2-ND1 3.72Å; W129-H133 AromaticContact CE2-CE1 3.38Å; W129-H133 AromaticContact CE2-ND1 3.53Å; W129-H133 AromaticContact CE2-NE2 3.77Å; W129-H133 AromaticContact CG-CE1 3.9Å; W129-H133 AromaticContact CG-ND1 3.78Å; W129-H133 AromaticContact CZ2-CE1 3.98Å; W129-H133 AromaticContact CZ2-NE2 3.91Å; W129-H133 AromaticContact NE1-CE1 2.96Å; W129-H133 PolarHBondContact NE1-CE1 3Å; W129-H133 AromaticContact NE1-ND1 3.53Å; W129-H133 AromaticContact NE1-NE2 3.53Å; W129-H133 WeakPolarHBondContact O-CB 3.41Å; W129-H133 PolarHBondContact O-N 2.87Å; W129-H133 PolarHBondContact O-ND1 3.14Å; L130-H133 PolarHBondContact O-N 3.31Å; L131-H133 VanDerWaalsContact C-N 3.34Å; L131-H133 PolarHBondContact O-N 3.4Å; H133-L135 VanDerWaalsContact C-N 3.35Å; H133-W136 PolarHBondContact O-N 2.96Å; H133-F137 VanDerWaalsContact O-CB 3.31Å; H133-F137 WeakPolarHBondContact O-CB 3.38Å; H133-F137 PolarHBondContact O-N 3.23Å
134	L	93.3	Very high	89.6	Confident	109 Å²	109	66 Å²	66	57%	0.571	35%	0.348	S	S	*	.	H	α-helix	trans	-63.3	-42.1	175	-71.6	174.7	0	0	0	111.3	L130 W136 F137 A138	L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 VanDerWaalsContact O-CG 3.23Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 2.84Å; L134-W136 VanDerWaalsContact C-N 3.34Å; L134-W136 PolarHBondContact O-N 3.4Å; L134-F137 PolarHBondContact O-N 3.3Å; L134-A138 WeakPolarHBondContact O-CB 3.45Å; L134-A138 PolarHBondContact O-N 2.98Å
135	L	91.9	Very high	89.4	Confident	65 Å²	65	74.1 Å²	74.1	34%	0.34	38%	0.378	S	S	.	.	H	α-helix	trans	-60.5	-44.7	173.8	178.6	63.2	0	0	0	111.2	F84 L131 H133 N139 W145	F84-L135 HydrophobicContact CE1-CD2 3.91Å; F84-L135 HydrophobicContact CE2-CD2 4.46Å; F84-L135 HydrophobicContact CZ-CD2 3.65Å; L131-L135 VanDerWaalsContact O-CB 3.22Å; L131-L135 WeakPolarHBondContact O-CB 3.22Å; L131-L135 PolarHBondContact O-N 2.9Å; H133-L135 VanDerWaalsContact C-N 3.35Å; L135-N139 VanDerWaalsContact O-CB 3.27Å; L135-N139 WeakPolarHBondContact O-CB 3.31Å; L135-N139 PolarHBondContact O-N 3.31Å; L135-W145 HydrophobicContact CD1-CZ3 4.37Å
136	W	90.7	Very high	89.5	Confident	79 Å²	79	75 Å²	75	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-44.4	177.8	-168.2	-89.8	0	0	0	112.3	T132 H133 L134 N139 A140 F146 P148 I150 I151	T132-W136 WeakPolarHBondContact O-CB 3.42Å; T132-W136 PolarHBondContact O-N 2.93Å; H133-W136 PolarHBondContact O-N 2.96Å; L134-W136 VanDerWaalsContact C-N 3.34Å; L134-W136 PolarHBondContact O-N 3.4Å; W136-N139 WeakPolarHBondContact O-CB 3.46Å; W136-N139 PolarHBondContact O-N 3.03Å; W136-A140 WeakPolarHBondContact O-CB 3.36Å; W136-A140 PolarHBondContact O-N 2.98Å; W136-F146 HydrophobicContact CD2-CE2 4.11Å; W136-F146 HydrophobicContact CD2-CZ 4.36Å; W136-F146 AromaticContact CE3-CE2 3.52Å; W136-F146 HydrophobicContact CE3-CE2 3.52Å; W136-F146 AromaticContact CE3-CZ 3.65Å; W136-F146 HydrophobicContact CE3-CZ 3.65Å; W136-F146 HydrophobicContact CH2-CD2 4.33Å; W136-F146 AromaticContact CH2-CE2 3.62Å; W136-F146 HydrophobicContact CH2-CE2 3.62Å; W136-F146 HydrophobicContact CZ2-CE2 4.18Å; W136-F146 HydrophobicContact CZ3-CD2 4.25Å; W136-F146 AromaticContact CZ3-CE2 3.26Å; W136-F146 HydrophobicContact CZ3-CE2 3.26Å; W136-F146 AromaticContact CZ3-CZ 3.76Å; W136-F146 HydrophobicContact CZ3-CZ 3.76Å; W136-P148 WeakPolarHBondContact CZ2-O 3.45Å; W136-I150 HydrophobicContact CH2-CG2 3.76Å; W136-I151 HydrophobicContact CH2-CD1 3.76Å; W136-I151 HydrophobicContact CH2-CG1 4.03Å; W136-I151 HydrophobicContact CZ2-CD1 4.3Å; W136-I151 HydrophobicContact CZ3-CD1 4.31Å
137	F	92.3	Very high	89.5	Confident	129 Å²	129	75.4 Å²	75.4	57%	0.566	38%	0.377	S	S	*	.	H	α-helix	trans	-64.9	-47.1	178.4	-175.3	-94.1	0	0	0	111.7	H133 L134 N139 A140 H141	H133-F137 VanDerWaalsContact O-CB 3.31Å; H133-F137 WeakPolarHBondContact O-CB 3.38Å; H133-F137 PolarHBondContact O-N 3.23Å; L134-F137 PolarHBondContact O-N 3.3Å; F137-N139 VanDerWaalsContact C-N 3.27Å; F137-N139 PolarHBondContact O-N 3.23Å; F137-A140 PolarHBondContact O-N 2.9Å; F137-H141 AromaticContact CD2-CD2 3.6Å; F137-H141 AromaticContact CD2-NE2 3.86Å; F137-H141 AromaticContact CE1-CD2 3.86Å; F137-H141 AromaticContact CE2-CD2 3.32Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.29Å; F137-H141 AromaticContact CE2-NE2 3.34Å; F137-H141 VanDerWaalsContact CE2-NE2 3.34Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.43Å; F137-H141 AromaticContact CG-CD2 3.99Å; F137-H141 AromaticContact CZ-CD2 3.45Å; F137-H141 VanDerWaalsContact CZ-CD2 3.45Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.36Å; F137-H141 AromaticContact CZ-NE2 3.77Å; F137-H141 PolarHBondContact O-CD2 3.18Å; F137-H141 PolarHBondContact O-N 3.42Å
138	A	92	Very high	89.5	Confident	26 Å²	26	78 Å²	78	22%	0.215	40%	0.395	C	S	.	.	H	α-helix	trans	-61	-38.4	174.6	0	0	0	0	0	111.3	L134 L142 L143	L134-A138 WeakPolarHBondContact O-CB 3.45Å; L134-A138 PolarHBondContact O-N 2.98Å; A138-L142 WeakPolarHBondContact O-CA 3.32Å; A138-L142 WeakPolarHBondContact O-CB 3.34Å; A138-L142 PolarHBondContact O-N 3.09Å; A138-L143 HydrophobicContact CB-CD1 4.18Å; A138-L143 PolarHBondContact O-N 3.39Å
139	N	91.2	Very high	89.5	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	41%	0.411	C	S	.	.	I	π-helix	trans	-62.3	-47.5	173.1	176.2	75.7	0	0	0	112.3	L135 W136 F137 H141 S144 W145 F146	L135-N139 VanDerWaalsContact O-CB 3.27Å; L135-N139 WeakPolarHBondContact O-CB 3.31Å; L135-N139 PolarHBondContact O-N 3.31Å; W136-N139 WeakPolarHBondContact O-CB 3.46Å; W136-N139 PolarHBondContact O-N 3.03Å; F137-N139 VanDerWaalsContact C-N 3.27Å; F137-N139 PolarHBondContact O-N 3.23Å; N139-H141 VanDerWaalsContact C-N 3.33Å; N139-H141 PolarHBondContact O-N 3.03Å; N139-S144 WeakPolarHBondContact O-CA 3.31Å; N139-S144 PolarHBondContact O-N 2.81Å; N139-W145 WeakPolarHBondContact OD1-CA 3.3Å; N139-W145 VanDerWaalsContact OD1-CB 3.3Å; N139-W145 WeakPolarHBondContact OD1-CB 3.48Å; N139-W145 PolarHBondContact OD1-N 3.03Å; N139-F146 HydrophobicContact CB-CE1 3.9Å; N139-F146 HydrophobicContact CB-CE2 4.41Å; N139-F146 HydrophobicContact CB-CZ 3.79Å; N139-F146 VanDerWaalsContact CG-CZ 3.44Å; N139-F146 VanDerWaalsContact ND2-CD2 3.32Å; N139-F146 WeakPolarHBondContact ND2-CD2 3.46Å; N139-F146 WeakPolarHBondContact ND2-CE2 3.37Å; N139-F146 VanDerWaalsContact ND2-CZ 3.32Å; N139-F146 WeakPolarHBondContact ND2-CZ 3.26Å; N139-F146 PolarHBondContact ND2-O 3.4Å; N139-F146 WeakPolarHBondContact OD1-CD1 3.32Å; N139-F146 PolarHBondContact OD1-N 3.23Å; N139-F146 VanDerWaalsContact OD1-N 3.14Å
140	A	88.7	Confident	89.5	Confident	34 Å²	34	76 Å²	76	28%	0.281	40%	0.395	S	S	.	.	I	π-helix	trans	-64.7	-35.6	-177	0	0	0	0	0	113.2	W136 F137 P148	W136-A140 WeakPolarHBondContact O-CB 3.36Å; W136-A140 PolarHBondContact O-N 2.98Å; F137-A140 PolarHBondContact O-N 2.9Å; A140-P148 HydrophobicContact CB-CG 4.04Å
141	H	86.7	Confident	89.4	Confident	123 Å²	123	77.3 Å²	77.3	57%	0.569	40%	0.402	S	S	*	.	I	π-helix	trans	-105	-26.9	-172.7	-70.2	-72.2	0	0	0	115.5	F137 N139	F137-H141 AromaticContact CD2-CD2 3.6Å; F137-H141 AromaticContact CD2-NE2 3.86Å; F137-H141 AromaticContact CE1-CD2 3.86Å; F137-H141 AromaticContact CE2-CD2 3.32Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.29Å; F137-H141 AromaticContact CE2-NE2 3.34Å; F137-H141 VanDerWaalsContact CE2-NE2 3.34Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.43Å; F137-H141 AromaticContact CG-CD2 3.99Å; F137-H141 AromaticContact CZ-CD2 3.45Å; F137-H141 VanDerWaalsContact CZ-CD2 3.45Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.36Å; F137-H141 AromaticContact CZ-NE2 3.77Å; F137-H141 PolarHBondContact O-CD2 3.18Å; F137-H141 PolarHBondContact O-N 3.42Å; N139-H141 VanDerWaalsContact C-N 3.33Å; N139-H141 PolarHBondContact O-N 3.03Å
142	L	88.3	Confident	89.2	Confident	142 Å²	142	81.3 Å²	81.3	74%	0.743	42%	0.416	S	S	*	.	I	π-helix	trans	-121.2	-47.6	-170.2	-55.8	175.3	0	0	0	113.1	A138	A138-L142 WeakPolarHBondContact O-CA 3.32Å; A138-L142 WeakPolarHBondContact O-CB 3.34Å; A138-L142 PolarHBondContact O-N 3.09Å
143	L	85.4	Confident	89.1	Confident	68 Å²	68	85.1 Å²	85.1	36%	0.356	44%	0.436	S	S	.	.	I	π-helix	trans	-93.9	-30.9	-165.6	-58.4	160.7	0	0	0	113.3	A138 W145	A138-L143 HydrophobicContact CB-CD1 4.18Å; A138-L143 PolarHBondContact O-N 3.39Å; L143-W145 HydrophobicContact CB-CD2 3.82Å; L143-W145 HydrophobicContact CB-CE3 4.44Å; L143-W145 HydrophobicContact CB-CG 3.89Å; L143-W145 HydrophobicContact CB-CZ2 4.4Å; L143-W145 HydrophobicContact CD1-CD2 4.11Å; L143-W145 HydrophobicContact CD1-CE3 3.97Å; L143-W145 HydrophobicContact CD1-CH2 3.82Å; L143-W145 HydrophobicContact CD1-CZ2 3.95Å; L143-W145 HydrophobicContact CD1-CZ3 3.82Å; L143-W145 HydrophobicContact CD2-CH2 4.28Å; L143-W145 HydrophobicContact CD2-CZ2 3.66Å; L143-W145 HydrophobicContact CG-CD2 4.39Å; L143-W145 HydrophobicContact CG-CZ2 4.21Å; L143-W145 VanDerWaalsContact O-CD1 3.28Å; L143-W145 PolarHBondContact O-N 3.12Å
144	S	86.4	Confident	88.9	Confident	96 Å²	96	82.4 Å²	82.4	67%	0.671	43%	0.425	S	S	*	.			trans	47.5	31.5	-176.2	-55.6	0	0	0	0	114.1	N139 F146	N139-S144 WeakPolarHBondContact O-CA 3.31Å; N139-S144 PolarHBondContact O-N 2.81Å; S144-F146 VanDerWaalsContact C-N 3.29Å; S144-F146 PolarHBondContact O-N 3.25Å
145	W	83.9	Confident	88.7	Confident	177 Å²	177	83.9 Å²	83.9	67%	0.67	42%	0.423	S	S	*	.	S	Bend	trans	-66.9	-30.2	-178.5	-66.1	-19.9	0	0	0	112.7	L135 N139 L143	L135-W145 HydrophobicContact CD1-CZ3 4.37Å; N139-W145 WeakPolarHBondContact OD1-CA 3.3Å; N139-W145 VanDerWaalsContact OD1-CB 3.3Å; N139-W145 WeakPolarHBondContact OD1-CB 3.48Å; N139-W145 PolarHBondContact OD1-N 3.03Å; L143-W145 HydrophobicContact CB-CD2 3.82Å; L143-W145 HydrophobicContact CB-CE3 4.44Å; L143-W145 HydrophobicContact CB-CG 3.89Å; L143-W145 HydrophobicContact CB-CZ2 4.4Å; L143-W145 HydrophobicContact CD1-CD2 4.11Å; L143-W145 HydrophobicContact CD1-CE3 3.97Å; L143-W145 HydrophobicContact CD1-CH2 3.82Å; L143-W145 HydrophobicContact CD1-CZ2 3.95Å; L143-W145 HydrophobicContact CD1-CZ3 3.82Å; L143-W145 HydrophobicContact CD2-CH2 4.28Å; L143-W145 HydrophobicContact CD2-CZ2 3.66Å; L143-W145 HydrophobicContact CG-CD2 4.39Å; L143-W145 HydrophobicContact CG-CZ2 4.21Å; L143-W145 VanDerWaalsContact O-CD1 3.28Å; L143-W145 PolarHBondContact O-N 3.12Å
146	F	86.7	Confident	88.6	Confident	62 Å²	62	82.1 Å²	82.1	27%	0.272	41%	0.414	S	S	.	.	S	Bend	trans	-146.6	156.3	173.3	57.6	-94.4	0	0	0	111.3	W136 N139 S144 I150	W136-F146 HydrophobicContact CD2-CE2 4.11Å; W136-F146 HydrophobicContact CD2-CZ 4.36Å; W136-F146 AromaticContact CE3-CE2 3.52Å; W136-F146 HydrophobicContact CE3-CE2 3.52Å; W136-F146 AromaticContact CE3-CZ 3.65Å; W136-F146 HydrophobicContact CE3-CZ 3.65Å; W136-F146 HydrophobicContact CH2-CD2 4.33Å; W136-F146 AromaticContact CH2-CE2 3.62Å; W136-F146 HydrophobicContact CH2-CE2 3.62Å; W136-F146 HydrophobicContact CZ2-CE2 4.18Å; W136-F146 HydrophobicContact CZ3-CD2 4.25Å; W136-F146 AromaticContact CZ3-CE2 3.26Å; W136-F146 HydrophobicContact CZ3-CE2 3.26Å; W136-F146 AromaticContact CZ3-CZ 3.76Å; W136-F146 HydrophobicContact CZ3-CZ 3.76Å; N139-F146 HydrophobicContact CB-CE1 3.9Å; N139-F146 HydrophobicContact CB-CE2 4.41Å; N139-F146 HydrophobicContact CB-CZ 3.79Å; N139-F146 VanDerWaalsContact CG-CZ 3.44Å; N139-F146 VanDerWaalsContact ND2-CD2 3.32Å; N139-F146 WeakPolarHBondContact ND2-CD2 3.46Å; N139-F146 WeakPolarHBondContact ND2-CE2 3.37Å; N139-F146 VanDerWaalsContact ND2-CZ 3.32Å; N139-F146 WeakPolarHBondContact ND2-CZ 3.26Å; N139-F146 PolarHBondContact ND2-O 3.4Å; N139-F146 WeakPolarHBondContact OD1-CD1 3.32Å; N139-F146 PolarHBondContact OD1-N 3.23Å; N139-F146 VanDerWaalsContact OD1-N 3.14Å; S144-F146 VanDerWaalsContact C-N 3.29Å; S144-F146 PolarHBondContact O-N 3.25Å; F146-I150 HydrophobicContact CB-CD1 4.3Å; F146-I150 HydrophobicContact CD2-CG2 4.04Å
147	S	87.1	Confident	88.5	Confident	57 Å²	57	78.7 Å²	78.7	40%	0.399	40%	0.401	S	S	.	.			trans	-63.6	132.6	179.3	-175.9	0	0	0	0	111.3	T149 I150	S147-T149 PolarHBondContact O-N 3.47Å; S147-T149 VanDerWaalsContact O-N 3.12Å; S147-T149 PolarHBondContact OG-N 3.3Å; S147-T149 PolarHBondContact OG-OG1 3.28Å; S147-I150 WeakPolarHBondContact O-CB 3.22Å; S147-I150 VanDerWaalsContact O-CG2 3.23Å; S147-I150 WeakPolarHBondContact O-CG2 3.47Å; S147-I150 PolarHBondContact O-N 2.9Å
148	P	87.6	Confident	88.3	Confident	70 Å²	70	73.8 Å²	73.8	46%	0.455	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.4	171.4	-23.7	34.3	0	0	0	113.5	W136 A140 I150	W136-P148 WeakPolarHBondContact CZ2-O 3.45Å; A140-P148 HydrophobicContact CB-CG 4.04Å; P148-I150 VanDerWaalsContact C-N 3.35Å
149	T	89.5	Confident	88.2	Confident	70 Å²	70	76.8 Å²	76.8	43%	0.429	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	1.1	177.8	60.2	0	0	0	0	113.7	S147 I151 F152 D153	S147-T149 PolarHBondContact O-N 3.47Å; S147-T149 VanDerWaalsContact O-N 3.12Å; S147-T149 PolarHBondContact OG-N 3.3Å; S147-T149 PolarHBondContact OG-OG1 3.28Å; T149-I151 PolarHBondContact O-N 3.03Å; T149-F152 WeakPolarHBondContact O-CA 3.47Å; T149-F152 WeakPolarHBondContact O-CB 3.29Å; T149-F152 PolarHBondContact O-N 2.92Å; T149-D153 WeakPolarHBondContact CB-OD2 3.47Å; T149-D153 VanDerWaalsContact O-CG 3.25Å; T149-D153 PolarHBondContact O-N 3.33Å; T149-D153 PolarHBondContact OG1-OD2 2.89Å
150	I	90.3	Very high	88	Confident	35 Å²	35	80.8 Å²	80.8	18%	0.179	41%	0.408	C	S	.	.	H	α-helix	trans	-55.2	-33.5	-169.5	-166.9	170	0	0	0	114.3	L77 W136 F146 S147 P148 N154	L77-I150 HydrophobicContact CD1-CD1 3.96Å; L77-I150 HydrophobicContact CD2-CD1 3.82Å; L77-I150 HydrophobicContact CD2-CG1 3.76Å; W136-I150 HydrophobicContact CH2-CG2 3.76Å; F146-I150 HydrophobicContact CB-CD1 4.3Å; F146-I150 HydrophobicContact CD2-CG2 4.04Å; S147-I150 WeakPolarHBondContact O-CB 3.22Å; S147-I150 VanDerWaalsContact O-CG2 3.23Å; S147-I150 WeakPolarHBondContact O-CG2 3.47Å; S147-I150 PolarHBondContact O-N 2.9Å; P148-I150 VanDerWaalsContact C-N 3.35Å; I150-N154 WeakPolarHBondContact O-CB 3.31Å; I150-N154 PolarHBondContact O-N 3.35Å; I150-N154 PolarHBondContact O-ND2 2.89Å
151	I	89.4	Confident	88	Confident	98 Å²	98	79.9 Å²	79.9	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-68.5	-47.6	176.5	-62.5	172.3	0	0	0	110	W136 T149 D153 N154 W155 L158	W136-I151 HydrophobicContact CH2-CD1 3.76Å; W136-I151 HydrophobicContact CH2-CG1 4.03Å; W136-I151 HydrophobicContact CZ2-CD1 4.3Å; W136-I151 HydrophobicContact CZ3-CD1 4.31Å; T149-I151 PolarHBondContact O-N 3.03Å; I151-D153 VanDerWaalsContact C-N 3.31Å; I151-D153 PolarHBondContact O-N 3.17Å; I151-N154 CarbonylContact O-C 3.49Å; I151-N154 PolarHBondContact O-N 3.28Å; I151-W155 VanDerWaalsContact O-CA 3.26Å; I151-W155 WeakPolarHBondContact O-CA 3.3Å; I151-W155 WeakPolarHBondContact O-CB 3.43Å; I151-W155 PolarHBondContact O-N 3.45Å; I151-L158 HydrophobicContact CG2-CD1 4.42Å
152	F	88.3	Confident	88.1	Confident	157 Å²	157	75.5 Å²	75.5	69%	0.689	39%	0.385	S	S	*	.	H	α-helix	trans	-64.7	-37.9	178.1	-175	-96.3	0	0	0	111.2	T149 N154	T149-F152 WeakPolarHBondContact O-CA 3.47Å; T149-F152 WeakPolarHBondContact O-CB 3.29Å; T149-F152 PolarHBondContact O-N 2.92Å; F152-N154 PolarHBondContact O-N 3.26Å
153	D	88.7	Confident	88.1	Confident	97 Å²	97	73.6 Å²	73.6	52%	0.519	38%	0.375	S	S	.	.	H	α-helix	trans	-69.3	-23.6	-179.9	-59	-29.9	0	0	0	112.6	T149 I151	T149-D153 WeakPolarHBondContact CB-OD2 3.47Å; T149-D153 VanDerWaalsContact O-CG 3.25Å; T149-D153 PolarHBondContact O-N 3.33Å; T149-D153 PolarHBondContact OG1-OD2 2.89Å; I151-D153 VanDerWaalsContact C-N 3.31Å; I151-D153 PolarHBondContact O-N 3.17Å
154	N	89.4	Confident	88.2	Confident	36 Å²	36	74.2 Å²	74.2	19%	0.193	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	17.8	-175.7	-63.1	-89.8	0	0	0	113.6	A74 I150 I151 F152 I156 P157 L158	A74-N154 HydrophobicContact CB-CB 4.4Å; I150-N154 WeakPolarHBondContact O-CB 3.31Å; I150-N154 PolarHBondContact O-N 3.35Å; I150-N154 PolarHBondContact O-ND2 2.89Å; I151-N154 CarbonylContact O-C 3.49Å; I151-N154 PolarHBondContact O-N 3.28Å; F152-N154 PolarHBondContact O-N 3.26Å; N154-I156 PolarHBondContact O-N 2.75Å; N154-P157 VanDerWaalsContact O-CD 3.31Å; N154-P157 WeakPolarHBondContact O-CD 3.45Å; N154-L158 HydrophobicContact CB-CD1 4.16Å; N154-L158 HydrophobicContact CB-CG 4.23Å; N154-L158 WeakPolarHBondContact O-CB 3.36Å; N154-L158 VanDerWaalsContact O-CG 3.22Å; N154-L158 WeakPolarHBondContact O-CG 3.24Å; N154-L158 PolarHBondContact O-N 3.48Å
155	W	88.1	Confident	88.2	Confident	141 Å²	141	74.5 Å²	74.5	53%	0.534	37%	0.371	S	S	.	.	H	α-helix	trans	-59.2	-42.9	-167.6	72.4	-72.2	0	0	0	114	I151 L158 L159	I151-W155 VanDerWaalsContact O-CA 3.26Å; I151-W155 WeakPolarHBondContact O-CA 3.3Å; I151-W155 WeakPolarHBondContact O-CB 3.43Å; I151-W155 PolarHBondContact O-N 3.45Å; W155-L158 PolarHBondContact O-N 3.32Å; W155-L159 HydrophobicContact CE3-CD1 3.71Å; W155-L159 HydrophobicContact CZ3-CD1 3.89Å; W155-L159 WeakPolarHBondContact O-CG 3.36Å; W155-L159 PolarHBondContact O-N 3.29Å
156	I	89	Confident	88	Confident	28 Å²	28	70.1 Å²	70.1	14%	0.144	37%	0.373	C	S	.	.	H	α-helix	trans	-67.8	-53.4	179.8	-55.6	172.9	0	0	0	111.2	T67 P68 N154 L158 L159 W160	T67-I156 HydrophobicContact CG2-CD1 4.43Å; T67-I156 HydrophobicContact CG2-CG2 3.29Å; P68-I156 HydrophobicContact CG-CB 4.39Å; P68-I156 HydrophobicContact CG-CD1 4.13Å; N154-I156 PolarHBondContact O-N 2.75Å; I156-L158 PolarHBondContact O-N 2.92Å; I156-L159 WeakPolarHBondContact O-CB 3Å; I156-L159 PolarHBondContact O-N 3.43Å; I156-L159 VanDerWaalsContact O-N 3.09Å; I156-W160 VanDerWaalsContact O-CD1 3.3Å; I156-W160 PolarHBondContact O-N 3.32Å; I156-W160 VanDerWaalsContact O-N 3.08Å
157	P	88.6	Confident	87.6	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.039	39%	0.393	C	S	.	.	H	α-helix	trans	-54.6	-35.2	173.2	-30.2	36.5	0	0	0	114.3	P68 T71 A74 N154 W160 C161	P68-P157 HydrophobicContact CB-CG 4.42Å; T71-P157 HydrophobicContact CG2-CG 4.13Å; A74-P157 HydrophobicContact CB-CB 3.33Å; A74-P157 HydrophobicContact CB-CG 4.43Å; N154-P157 VanDerWaalsContact O-CD 3.31Å; N154-P157 WeakPolarHBondContact O-CD 3.45Å; P157-W160 PolarHBondContact O-N 3.08Å; P157-C161 PolarHBondContact O-N 3.36Å; P157-C161 VanDerWaalsContact O-N 3.08Å; P157-C161 PolarHBondContact O-SG 3.07Å
158	L	89.9	Confident	87.1	Confident	26 Å²	26	74.3 Å²	74.3	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-67.2	-40.1	175.7	-72.3	172	0	0	0	112.2	A74 L77 Y78 I151 N154 W155 I156 W160 C161 A162	A74-L158 HydrophobicContact CB-CD2 4.37Å; A74-L158 HydrophobicContact CB-CG 4.49Å; L77-L158 HydrophobicContact CD2-CD1 4.34Å; L77-L158 HydrophobicContact CD2-CD2 4.29Å; Y78-L158 HydrophobicContact CD2-CD2 4.3Å; I151-L158 HydrophobicContact CG2-CD1 4.42Å; N154-L158 HydrophobicContact CB-CD1 4.16Å; N154-L158 HydrophobicContact CB-CG 4.23Å; N154-L158 WeakPolarHBondContact O-CB 3.36Å; N154-L158 VanDerWaalsContact O-CG 3.22Å; N154-L158 WeakPolarHBondContact O-CG 3.24Å; N154-L158 PolarHBondContact O-N 3.48Å; W155-L158 PolarHBondContact O-N 3.32Å; I156-L158 PolarHBondContact O-N 2.92Å; L158-W160 VanDerWaalsContact C-N 3.33Å; L158-W160 PolarHBondContact O-N 3.45Å; L158-C161 WeakPolarHBondContact O-CB 3.34Å; L158-C161 PolarHBondContact O-N 3.47Å; L158-A162 PolarHBondContact O-N 2.99Å
159	L	89.1	Confident	86.3	Confident	90 Å²	90	76.1 Å²	76.1	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-61.3	-41.9	174	-75.1	170.9	0	0	0	111.7	W155 I156 C161 A162 N163	W155-L159 HydrophobicContact CE3-CD1 3.71Å; W155-L159 HydrophobicContact CZ3-CD1 3.89Å; W155-L159 WeakPolarHBondContact O-CG 3.36Å; W155-L159 PolarHBondContact O-N 3.29Å; I156-L159 WeakPolarHBondContact O-CB 3Å; I156-L159 PolarHBondContact O-N 3.43Å; I156-L159 VanDerWaalsContact O-N 3.09Å; L159-C161 VanDerWaalsContact C-N 3.34Å; L159-C161 PolarHBondContact O-N 3.49Å; L159-A162 PolarHBondContact O-N 3.39Å; L159-N163 VanDerWaalsContact O-CG 3.31Å; L159-N163 PolarHBondContact O-N 2.88Å; L159-N163 PolarHBondContact O-ND2 2.99Å
160	W	87.8	Confident	85.4	Confident	84 Å²	84	77.5 Å²	77.5	32%	0.318	41%	0.414	S	S	.	.	H	α-helix	trans	-59.8	-44.4	173.1	-76.7	115.3	0	0	0	112.4	W64 I70 I156 P157 L158 A162 N163 I164	W64-W160 AromaticContact CH2-CH2 3.65Å; W64-W160 HydrophobicContact CH2-CH2 3.65Å; W64-W160 AromaticContact CH2-CZ2 3.83Å; W64-W160 HydrophobicContact CH2-CZ2 3.83Å; W64-W160 HydrophobicContact CZ2-CH2 4.16Å; W64-W160 HydrophobicContact CZ2-CZ2 4.23Å; W64-W160 HydrophobicContact CZ3-CZ2 4.42Å; I70-W160 HydrophobicContact CD1-CB 3.88Å; I70-W160 HydrophobicContact CD1-CG 4.45Å; I70-W160 HydrophobicContact CG1-CB 3.46Å; I70-W160 VanDerWaalsContact CG1-CB 3.46Å; I70-W160 HydrophobicContact CG1-CG 3.94Å; I156-W160 VanDerWaalsContact O-CD1 3.3Å; I156-W160 PolarHBondContact O-N 3.32Å; I156-W160 VanDerWaalsContact O-N 3.08Å; P157-W160 PolarHBondContact O-N 3.08Å; L158-W160 VanDerWaalsContact C-N 3.33Å; L158-W160 PolarHBondContact O-N 3.45Å; W160-A162 VanDerWaalsContact C-N 3.32Å; W160-A162 PolarHBondContact O-N 2.92Å; W160-N163 PolarHBondContact O-N 3.01Å; W160-I164 WeakPolarHBondContact O-CG1 3.4Å; W160-I164 PolarHBondContact O-N 2.93Å
161	C	88.7	Confident	84.7	Confident	14 Å²	14	79 Å²	79	10%	0.095	43%	0.426	C	S	.	.	H	α-helix	trans	-60.5	-42.6	176.7	-64.8	0	0	0	0	111.7	Y78 P157 L158 L159 I164 L165	Y78-C161 HydrophobicContact CD1-CB 3.64Å; Y78-C161 HydrophobicContact CD2-CB 4.3Å; Y78-C161 HydrophobicContact CE1-CB 4.15Å; Y78-C161 HydrophobicContact CG-CB 3.72Å; P157-C161 PolarHBondContact O-N 3.36Å; P157-C161 VanDerWaalsContact O-N 3.08Å; P157-C161 PolarHBondContact O-SG 3.07Å; L158-C161 WeakPolarHBondContact O-CB 3.34Å; L158-C161 PolarHBondContact O-N 3.47Å; L159-C161 VanDerWaalsContact C-N 3.34Å; L159-C161 PolarHBondContact O-N 3.49Å; C161-I164 PolarHBondContact O-N 2.82Å; C161-L165 PolarHBondContact O-N 2.67Å
162	A	88.4	Confident	83.8	Confident	32 Å²	32	81 Å²	81	26%	0.264	45%	0.445	S	S	.	.	H	α-helix	trans	-63.9	-42.9	177.6	0	0	0	0	0	112.5	Y78 L158 L159 W160 L165 A166	Y78-A162 HydrophobicContact CE2-CB 4.19Å; Y78-A162 WeakPolarHBondContact OH-CA 3.24Å; L158-A162 PolarHBondContact O-N 2.99Å; L159-A162 PolarHBondContact O-N 3.39Å; W160-A162 VanDerWaalsContact C-N 3.32Å; W160-A162 PolarHBondContact O-N 2.92Å; A162-L165 PolarHBondContact O-N 3.45Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 2.87Å
163	N	88.9	Confident	82.8	Confident	101 Å²	101	77.6 Å²	77.6	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-64.3	-43.6	178.3	-71.8	-20.9	0	0	0	112	L159 W160 L165 A166 D167	L159-N163 VanDerWaalsContact O-CG 3.31Å; L159-N163 PolarHBondContact O-N 2.88Å; L159-N163 PolarHBondContact O-ND2 2.99Å; W160-N163 PolarHBondContact O-N 3.01Å; N163-L165 VanDerWaalsContact C-N 3.35Å; N163-L165 PolarHBondContact O-N 3.44Å; N163-A166 PolarHBondContact O-N 3.05Å; N163-D167 PolarHBondContact O-N 3.49Å; N163-D167 VanDerWaalsContact O-N 3.07Å
164	I	87	Confident	81.5	Confident	81 Å²	81	81.9 Å²	81.9	42%	0.415	46%	0.464	S	S	.	.	H	α-helix	trans	-65.1	-38.9	178.1	-68.8	168.3	0	0	0	111.4	I70 W160 C161 D167 P168	I70-I164 HydrophobicContact CD1-CD1 3.41Å; I70-I164 VanDerWaalsContact CD1-CD1 3.41Å; W160-I164 WeakPolarHBondContact O-CG1 3.4Å; W160-I164 PolarHBondContact O-N 2.93Å; C161-I164 PolarHBondContact O-N 2.82Å; I164-D167 CarbonylContact O-C 3.31Å; I164-D167 VanDerWaalsContact O-C 3.31Å; I164-P168 VanDerWaalsContact O-CA 3.28Å; I164-P168 WeakPolarHBondContact O-CA 3.4Å
165	L	85.1	Confident	80	Confident	102 Å²	102	83.3 Å²	83.3	53%	0.534	48%	0.481	S	S	.	.	H	α-helix	trans	-68.9	-36.9	177.3	-176.6	65.1	0	0	0	111.9	Y78 V82 C161 A162 N163	Y78-L165 HydrophobicContact CE1-CB 4.15Å; Y78-L165 HydrophobicContact CE1-CD2 3.71Å; Y78-L165 WeakPolarHBondContact OH-CD2 3.35Å; V82-L165 HydrophobicContact CG2-CD2 4.44Å; C161-L165 PolarHBondContact O-N 2.67Å; A162-L165 PolarHBondContact O-N 3.45Å; N163-L165 VanDerWaalsContact C-N 3.35Å; N163-L165 PolarHBondContact O-N 3.44Å
166	A	80.2	Confident	78.7	Confident	85 Å²	85	79.3 Å²	79.3	70%	0.702	47%	0.473	S	S	*	.	H	α-helix	trans	-69.7	-36.7	-179.5	0	0	0	0	0	112.9	A162 N163	A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 2.87Å; N163-A166 PolarHBondContact O-N 3.05Å
167	D	78.5	Confident	77.2	Confident	129 Å²	129	84.5 Å²	84.5	69%	0.69	50%	0.5	S	S	*	.	S	Bend	trans	-130.6	80.6	175.5	-166.3	21.5	0	0	0	110	N163 I164	N163-D167 PolarHBondContact O-N 3.49Å; N163-D167 VanDerWaalsContact O-N 3.07Å; I164-D167 CarbonylContact O-C 3.31Å; I164-D167 VanDerWaalsContact O-C 3.31Å
168	P	76.4	Confident	75.4	Confident	78 Å²	78	95.7 Å²	95.7	51%	0.506	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-64.1	132.5	-178.2	25.2	-31.9	0	0	0	109.1	I164 L170	I164-P168 VanDerWaalsContact O-CA 3.28Å; I164-P168 WeakPolarHBondContact O-CA 3.4Å; P168-L170 PolarHBondContact O-N 2.85Å
169	P	71.4	Confident	73.4	Confident	109 Å²	109	101.2 Å²	101.2	71%	0.708	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-55.3	121.4	179.4	19	-29.4	0	0	0	109.7
170	L	69.6	Low	71.4	Confident	99 Å²	99	103.3 Å²	103.3	52%	0.518	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-63.2	131.1	-174.8	-138.1	74.8	0	0	0	109.2	P168 R174	P168-L170 PolarHBondContact O-N 2.85Å; L170-R174 WeakPolarHBondContact CD2-O 3.33Å
171	P	75.4	Confident	69.5	Low	66 Å²	66	105.3 Å²	105.3	43%	0.429	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-61.2	141.3	171.3	24	-31.5	0	0	0	109.3	G173 R174	P171-G173 PolarHBondContact O-N 3.47Å; P171-R174 HydrophobicContact CG-CB 4.31Å; P171-R174 HydrophobicContact CG-CG 4.18Å; P171-R174 PolarHBondContact O-N 2.89Å
172	P	70.6	Confident	67.6	Low	139 Å²	139	113.4 Å²	113.4	90%	0.903	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	125.1	-179.3	21.9	-31.6	0	0	0	109.9
173	G	67.9	Low	65.4	Low	87 Å²	87	117.7 Å²	117.7	90%	0.897	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.5	3.4	175.6	0	0	0	0	0	117.1	P171	P171-G173 PolarHBondContact O-N 3.47Å
174	R	62.6	Low	63.3	Low	187 Å²	187	114.9 Å²	114.9	71%	0.706	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-99.1	131.3	168.4	-71.5	-167.1	-178.7	166	0.2	110.8	L170 P171	L170-R174 WeakPolarHBondContact CD2-O 3.33Å; P171-R174 HydrophobicContact CG-CB 4.31Å; P171-R174 HydrophobicContact CG-CG 4.18Å; P171-R174 PolarHBondContact O-N 2.89Å
175	A	57.3	Low	61.3	Low	66 Å²	66	116.5 Å²	116.5	55%	0.545	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-77.9	147.3	168.1	0	0	0	0	0	109.8	L177	A175-L177 PolarHBondContact O-N 3.4Å
176	P	59.7	Low	59.2	Low	57 Å²	57	114.9 Å²	114.9	37%	0.37	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-60.2	127.7	178.5	19	-27.1	0	0	0	111	R178 Q179	P176-R178 PolarHBondContact O-N 3.44Å; P176-Q179 HydrophobicContact CG-CG 4.46Å; P176-Q179 PolarHBondContact O-N 3.33Å
177	L	57.1	Low	57.4	Low	136 Å²	136	114.4 Å²	114.4	71%	0.712	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-53.5	-25.1	179.4	-69.8	170.9	0	0	0	112.9	A175 Q179 Q180	A175-L177 PolarHBondContact O-N 3.4Å; L177-Q179 PolarHBondContact O-N 2.89Å; L177-Q180 PolarHBondContact O-N 2.91Å; L177-Q180 VanDerWaalsContact O-N 3.17Å
178	R	50.9	Low	55.8	Low	242 Å²	242	114.7 Å²	114.7	91%	0.913	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-62	-19.4	174.4	-106.6	-146.8	-85.6	-122.4	1.7	114.6	P176	P176-R178 PolarHBondContact O-N 3.44Å
179	Q	48.8	Very low	54	Low	141 Å²	141	118.8 Å²	118.8	66%	0.659	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-91.2	-15.3	176.6	-77	179.9	-13.5	0	0	113.6	P176 L177 V181	P176-Q179 HydrophobicContact CG-CG 4.46Å; P176-Q179 PolarHBondContact O-N 3.33Å; L177-Q179 PolarHBondContact O-N 2.89Å; Q179-V181 VanDerWaalsContact C-N 3.25Å; Q179-V181 PolarHBondContact O-N 3.2Å
180	Q	46.5	Very low	52.4	Low	135 Å²	135	124.1 Å²	124.1	63%	0.631	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-8.3	-178.7	-84.9	178.4	-27.4	0	0	114.3	L177	L177-Q180 PolarHBondContact O-N 2.91Å; L177-Q180 VanDerWaalsContact O-N 3.17Å
181	V	49.2	Very low	50.9	Low	125 Å²	125	130.3 Å²	130.3	76%	0.758	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-1.1	178.9	-175	0	0	0	0	113	Q179 P183	Q179-V181 VanDerWaalsContact C-N 3.25Å; Q179-V181 PolarHBondContact O-N 3.2Å; V181-P183 WeakPolarHBondContact O-CD 3.29Å
182	R	47.3	Very low	49.2	Very low	185 Å²	185	131.2 Å²	131.2	70%	0.698	70%	0.7	S	S	*	*			trans	-114	60.9	170.5	-68.9	-157.9	-163	-145	8.7	114.8	G184	R182-G184 VanDerWaalsContact C-N 3.32Å; R182-G184 PolarHBondContact O-N 3.18Å; R182-G184 VanDerWaalsContact O-N 3.16Å
183	P	42.3	Very low	47.7	Very low	122 Å²	122	129 Å²	129	79%	0.792	69%	0.693	S	S	*	*	S	Bend	trans	-82.7	80.7	159.6	33.4	-25.7	0	0	0	108.3	V181	V181-P183 WeakPolarHBondContact O-CD 3.29Å
184	G	45.4	Very low	46.5	Very low	42 Å²	42	132.3 Å²	132.3	43%	0.433	69%	0.689	S	S	.	*	S	Bend	trans	179.3	-27.5	175.1	0	0	0	0	0	117.7	R182 G186	R182-G184 VanDerWaalsContact C-N 3.32Å; R182-G184 PolarHBondContact O-N 3.18Å; R182-G184 VanDerWaalsContact O-N 3.16Å; G184-G186 VanDerWaalsContact C-N 3.34Å; G184-G186 PolarHBondContact O-N 2.75Å
185	L	44.8	Very low	45.3	Very low	114 Å²	114	128.7 Å²	128.7	60%	0.597	69%	0.69	S	S	*	*	H	α-helix	trans	-74.4	-22.4	-176.8	-113.3	87.4	0	0	0	114	A187	L185-A187 VanDerWaalsContact C-N 3.3Å; L185-A187 PolarHBondContact O-N 2.71Å
186	G	40.7	Very low	44.5	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	70%	0.704	S	S	*	*	H	α-helix	trans	-72.9	-18.4	179.1	0	0	0	0	0	114.7	G184	G184-G186 VanDerWaalsContact C-N 3.34Å; G184-G186 PolarHBondContact O-N 2.75Å
187	A	43.4	Very low	43.5	Very low	74 Å²	74	132.7 Å²	132.7	61%	0.612	72%	0.718	S	S	*	*	H	α-helix	trans	-87.6	-22.8	-177.5	0	0	0	0	0	113.4	L185	L185-A187 VanDerWaalsContact C-N 3.3Å; L185-A187 PolarHBondContact O-N 2.71Å
188	L	43.9	Very low	42.6	Very low	135 Å²	135	130.5 Å²	130.5	71%	0.707	72%	0.719	S	S	*	*	H	α-helix	trans	-84.7	-22.9	-177.4	-85.7	158.1	0	0	0	113.5	R190	L188-R190 VanDerWaalsContact C-N 3.29Å; L188-R190 PolarHBondContact O-N 3.19Å
189	H	39.4	Very low	41.8	Very low	165 Å²	165	130.5 Å²	130.5	76%	0.764	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-8.2	179.8	-146.7	54.7	0	0	0	113.9
190	R	37.6	Very low	41.1	Very low	221 Å²	221	130.7 Å²	130.7	83%	0.834	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	2.4	179.3	-153.1	-169.4	-74.4	-122.7	-0	114	L188	L188-R190 VanDerWaalsContact C-N 3.29Å; L188-R190 PolarHBondContact O-N 3.19Å
191	R	38.2	Very low	40.5	Very low	228 Å²	228	136.3 Å²	136.3	86%	0.86	76%	0.758	S	S	*	*	S	Bend	trans	-102.3	-0.3	-180	-74.5	-166.9	-178.4	-148.9	2.7	115
192	S	39.8	Very low	40.1	Very low	86 Å²	86	136.9 Å²	136.9	60%	0.601	76%	0.758	S	S	*	*			trans	-105.3	7.1	-179.7	45.4	0	0	0	0	114.9	L194	S192-L194 PolarHBondContact O-N 3.02Å; S192-L194 VanDerWaalsContact O-N 3.16Å
193	A	38.8	Very low	39.7	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	76%	0.761	S	S	*	*			trans	-83.8	82.1	167.1	0	0	0	0	0	109.4
194	L	42.1	Very low	39.6	Very low	157 Å²	157	135 Å²	135	82%	0.822	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-59.9	137.5	161	-84.4	145.3	0	0	0	108.9	S192	S192-L194 PolarHBondContact O-N 3.02Å; S192-L194 VanDerWaalsContact O-N 3.16Å
195	P	38.3	Very low	39.2	Very low	111 Å²	111	140.5 Å²	140.5	72%	0.721	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.8	143.9	176	26.9	-31.5	0	0	0	110.6	A197	P195-A197 PolarHBondContact O-N 3.33Å
196	P	41	Very low	38.9	Very low	128 Å²	128	142.1 Å²	142.1	83%	0.831	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.3	127.4	178.8	25	-31.2	0	0	0	110.3	A198	P196-A198 PolarHBondContact O-N 2.95Å
197	A	38.8	Very low	38.8	Very low	80 Å²	80	147 Å²	147	66%	0.661	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.2	121.8	173.3	0	0	0	0	0	109.9	P195 W199	P195-A197 PolarHBondContact O-N 3.33Å; A197-W199 PolarHBondContact O-N 3.42Å
198	A	36.7	Very low	38.4	Very low	90 Å²	90	152.2 Å²	152.2	74%	0.744	81%	0.808	S	S	*	*			trans	-68	112.4	169.1	0	0	0	0	0	109	P196 N200	P196-A198 PolarHBondContact O-N 2.95Å; A198-N200 PolarHBondContact O-N 3.18Å
199	W	35.2	Very low	38	Very low	242 Å²	242	153.5 Å²	153.5	92%	0.917	82%	0.816	S	S	*	*			trans	-85.7	104.7	163.7	-70.4	99.9	0	0	0	108	A197	A197-W199 PolarHBondContact O-N 3.42Å
200	N	33.6	Very low	37.9	Very low	144 Å²	144	152.6 Å²	152.6	77%	0.77	82%	0.82	S	S	*	*			trans	-98.2	135.5	163.2	-82.2	-34.4	0	0	0	108.4	A198	A198-N200 PolarHBondContact O-N 3.18Å
201	L	34.8	Very low	37.9	Very low	253 Å²	253	146.4 Å²	146.4	100%	1.325	82%	0.819	S	S	*	*			trans	84.8	0	175.2	-56.5	171.3	0	0	0	116.3

Retrieved 201 of 201 residues in 53.3 ms (Link to these results)

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