A0A024RCN4_HUMAN Loading...

Zinc finger and SCAN domain-containing protein 26

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A024RCN4, Species HUMAN (Homo sapiens, Human), Gene ZSCAN26, Length 479 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	33.2	Very low	29.8	Very low	241 Å²	241	140.7 Å²	140.7	100%	1.187	85%	0.853	S	S	*	*				0	137.6	0	-58.9	173.9	-177.9	0	0	106.9
2	A	31.4	Very low	29.5	Very low	93 Å²	93	136.8 Å²	136.8	77%	0.769	85%	0.846	S	S	*	*			trans	55.4	122.9	-178.8	0	0	0	0	0	115.3
3	T	30.6	Very low	30.1	Very low	142 Å²	142	134.5 Å²	134.5	87%	0.871	84%	0.835	S	S	*	*			cis	59.8	99.7	17.1	71.6	0	0	0	0	116.6
4	A	30.3	Very low	29.9	Very low	102 Å²	102	137.6 Å²	137.6	84%	0.843	84%	0.842	S	S	*	*			trans	-138.8	148.8	151.7	0	0	0	0	0	108.6
5	L	29.8	Very low	29.6	Very low	169 Å²	169	136.3 Å²	136.3	89%	0.885	83%	0.828	S	S	*	*			trans	-141.4	-177.1	-175.6	-87.6	166.8	0	0	0	108.5
6	V	30.1	Very low	29.5	Very low	135 Å²	135	139 Å²	139	82%	0.818	84%	0.835	S	S	*	*			trans	74.4	135.4	165.8	-175	0	0	0	0	113.8
7	S	28.9	Very low	29.5	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	83%	0.827	S	S	*	*			cis	-157.7	144.3	-18.7	-100.2	0	0	0	0	107.1
8	A	26.6	Very low	29.6	Very low	90 Å²	90	141.9 Å²	141.9	74%	0.744	82%	0.822	S	S	*	*				48.5	102.2	80.6	0	0	0	0	0	115.2
9	H	30.2	Very low	29.4	Very low	191 Å²	191	142.8 Å²	142.8	88%	0.884	82%	0.818	S	S	*	*			trans	-147	130.1	158.6	-114.5	-84.3	0	0	0	109.9
10	S	28.6	Very low	29.3	Very low	115 Å²	115	139.1 Å²	139.1	80%	0.804	81%	0.812	S	S	*	*			trans	-107.7	130.2	177.1	-61.3	0	0	0	0	110.1
11	L	27.8	Very low	29.1	Very low	174 Å²	174	141.2 Å²	141.2	91%	0.911	82%	0.819	S	S	*	*			trans	-143	113.4	162.8	-79.6	-177.2	0	0	0	112.1
12	A	26.9	Very low	28.7	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	80%	0.802	S	S	*	*			trans	-135.5	168.6	150.5	0	0	0	0	0	105.4
13	P	37	Very low	28.5	Very low	108 Å²	108	141.8 Å²	141.8	70%	0.701	80%	0.801	S	S	*	*			cis	-130.2	-177.4	5.2	42.8	-28.3	0	0	0	113.6
14	L	26.8	Very low	28.2	Very low	177 Å²	177	140.6 Å²	140.6	93%	0.927	79%	0.794	S	S	*	*			trans	-134.5	155.3	145.8	-87.2	-176.7	0	0	0	111.3
15	N	25.8	Very low	28.4	Very low	119 Å²	119	146.4 Å²	146.4	64%	0.636	79%	0.794	S	S	*	*			trans	-119	139.1	-171.2	-131.9	-107.8	0	0	0	109.2
16	L	28.1	Very low	28.1	Very low	179 Å²	179	146.2 Å²	146.2	94%	0.937	79%	0.789	S	S	*	*			trans	-131.4	93.3	162.8	-101.2	165.3	0	0	0	109.9
17	K	29.7	Very low	28	Very low	160 Å²	160	147 Å²	147	70%	0.696	79%	0.788	S	S	*	*			trans	-72.5	162.6	152.7	-62.3	171.9	-178.2	170.8	0	106.4
18	K	30.9	Very low	28	Very low	171 Å²	171	150.8 Å²	150.8	74%	0.743	80%	0.795	S	S	*	*			cis	-170.7	163.5	20	-138.2	174	157.8	-124.8	0	103.1
19	E	26.8	Very low	28	Very low	159 Å²	159	157 Å²	157	74%	0.743	80%	0.801	S	S	*	*			cis	-156.4	177	32.2	-56.2	-154.8	126.6	0	0	107.2
20	G	26.2	Very low	27.9	Very low	67 Å²	67	152.6 Å²	152.6	69%	0.691	79%	0.791	S	S	*	*			cis	138.6	100.1	-6.8	0	0	0	0	0	113
21	L	24.5	Very low	28	Very low	184 Å²	184	154 Å²	154	96%	0.963	80%	0.795	S	S	*	*			trans	-146.8	160.5	156.8	-139.6	71.2	0	0	0	109.5
22	R	24.8	Very low	28	Very low	222 Å²	222	158 Å²	158	84%	0.838	80%	0.798	S	S	*	*			trans	-150.2	146.4	-162.5	-164.1	-146.2	-76.6	-151.4	-2.7	112.2
23	V	27.8	Very low	28.2	Very low	124 Å²	124	162.4 Å²	162.4	75%	0.752	80%	0.803	S	S	*	*			trans	60.5	158.5	-179.5	-111.2	0	0	0	0	112.4
24	V	24.7	Very low	27.7	Very low	118 Å²	118	166.6 Å²	166.6	72%	0.715	81%	0.813	S	S	*	*			cis	-125.4	158.2	33.6	168.7	0	0	0	0	112.3	E26	V24-E26 HydrophobicContact CG1-CG 4.03Å
25	R	33.5	Very low	27.5	Very low	224 Å²	224	161.5 Å²	161.5	85%	0.845	80%	0.803	S	S	*	*			trans	-93	129.3	158.3	-72.6	-174.5	-174.1	175.8	1	108
26	E	24.7	Very low	27.5	Very low	165 Å²	165	165.2 Å²	165.2	77%	0.771	81%	0.814	S	S	*	*			trans	-127.7	121.1	162.9	-87.3	171.2	171.8	0	0	109.4	V24	V24-E26 HydrophobicContact CG1-CG 4.03Å
27	D	29	Very low	27.5	Very low	150 Å²	150	165.9 Å²	165.9	80%	0.802	81%	0.81	S	S	*	*			trans	-85.6	110.4	170.9	-64.6	-71.6	0	0	0	108.1
28	H	27.3	Very low	27.6	Very low	177 Å²	177	166 Å²	166	82%	0.819	82%	0.817	S	S	*	*			trans	-126.4	98.1	171	-99.5	-74.3	0	0	0	111.7
29	Y	26.8	Very low	27.5	Very low	221 Å²	221	166.8 Å²	166.8	87%	0.867	82%	0.823	S	S	*	*			trans	-73.1	160.2	159.9	-131.5	-100.9	0	0	0	109.6
30	S	29.4	Very low	27.4	Very low	98 Å²	98	162.4 Å²	162.4	69%	0.685	82%	0.82	S	S	*	*			trans	72.8	98.2	166.2	-47.9	0	0	0	0	117.8
31	T	29.3	Very low	27.8	Very low	143 Å²	143	167.6 Å²	167.6	88%	0.877	83%	0.832	S	S	*	*			trans	-163.1	73.3	139.6	7.6	0	0	0	0	111.7
32	W	27.9	Very low	27.9	Very low	258 Å²	258	164.3 Å²	164.3	98%	0.977	83%	0.825	S	S	*	*			trans	-150.7	24	154.7	-127.4	57.7	0	0	0	114.2
33	E	30.3	Very low	28.5	Very low	186 Å²	186	163.6 Å²	163.6	87%	0.869	83%	0.828	S	S	*	*			trans	-96.4	84.2	165.8	-76.6	-161.3	134.4	0	0	111.2
34	Q	27.1	Very low	29.1	Very low	197 Å²	197	160 Å²	160	92%	0.921	82%	0.815	S	S	*	*			trans	-178.7	116.3	152.8	-105.4	153.9	83.6	0	0	108.8
35	G	23.8	Very low	29.8	Very low	70 Å²	70	162.3 Å²	162.3	72%	0.722	82%	0.823	S	S	*	*	S	Bend	trans	-177	-43.7	-179.8	0	0	0	0	0	117.1
36	F	25.3	Very low	30.1	Very low	196 Å²	196	154.2 Å²	154.2	86%	0.86	81%	0.809	S	S	*	*			trans	-137.9	91.3	179.6	-92.9	-78.4	0	0	0	113.1
37	K	28.2	Very low	31.3	Very low	194 Å²	194	150 Å²	150	84%	0.843	79%	0.79	S	S	*	*			trans	-93.1	107.5	153.8	-85.3	-175.1	174.3	-179.9	0	108.4
38	L	31.1	Very low	32.3	Very low	162 Å²	162	146.6 Å²	146.6	85%	0.848	77%	0.769	S	S	*	*			trans	-112.5	127.7	150	-76.1	174.7	0	0	0	107.4
39	Q	29.4	Very low	33.6	Very low	187 Å²	187	141.6 Å²	141.6	87%	0.874	75%	0.752	S	S	*	*			trans	-128	113.3	-171	-179.9	-180	4.6	0	0	107.8
40	G	24.3	Very low	34.9	Very low	67 Å²	67	133 Å²	133	69%	0.691	72%	0.721	S	S	*	*	S	Bend	trans	151.3	136.8	179.5	0	0	0	0	0	112.2	S42	G40-S42 PolarHBondContact O-N 2.84Å
41	N	34.6	Very low	36.2	Very low	176 Å²	176	129.3 Å²	129.3	94%	0.941	70%	0.695	S	S	*	*			trans	-61.2	127.2	-175.8	-60.7	-11.7	0	0	0	112.8
42	S	25.9	Very low	37.6	Very low	115 Å²	115	126.7 Å²	126.7	80%	0.804	67%	0.671	S	S	*	*			trans	-140.4	146.2	150.2	48.7	0	0	0	0	109.5	G40	G40-S42 PolarHBondContact O-N 2.84Å
43	K	37.5	Very low	39	Very low	208 Å²	208	119 Å²	119	90%	0.904	65%	0.646	S	S	*	*			trans	-87.5	154.3	170.9	-64.5	176.7	176	-178.8	0	109
44	G	40.5	Very low	40.3	Very low	47 Å²	47	112.9 Å²	112.9	49%	0.485	62%	0.617	S	S	.	*	S	Bend	trans	48.2	86.6	158.2	0	0	0	0	0	116.5
45	L	39.7	Very low	41.7	Very low	168 Å²	168	109.3 Å²	109.3	88%	0.88	60%	0.595	S	S	*	*			trans	179.4	120	159.8	-103.1	156.7	0	0	0	108.9
46	G	41.2	Very low	43.2	Very low	54 Å²	54	112.7 Å²	112.7	56%	0.557	59%	0.592	S	S	*	*			trans	153.5	-4.7	166.3	0	0	0	0	0	121.1	P49	G46-P49 WeakPolarHBondContact O-CD 3.1Å
47	Q	48.9	Very low	44.6	Very low	76 Å²	76	106.1 Å²	106.1	36%	0.355	57%	0.565	S	S	.	*	S	Bend	trans	-82.4	-25.3	-178.8	-66.4	-160.6	16.5	0	0	114.7	P49 L50 C51	Q47-P49 VanDerWaalsContact C-CD 3.44Å; Q47-L50 PolarHBondContact O-N 3.35Å; Q47-C51 PolarHBondContact O-N 2.99Å
48	E	49.7	Very low	45.9	Very low	78 Å²	78	104.2 Å²	104.2	36%	0.364	55%	0.553	S	S	.	*	H	α-helix	trans	-58.2	-36.8	-174	-141.7	-154.4	175.8	0	0	115.7	L50 K52	E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 3.22Å; E48-K52 VanDerWaalsContact CD-CE 3.5Å; E48-K52 WeakPolarHBondContact O-CG 3.33Å; E48-K52 PolarHBondContact O-N 3.01Å; E48-K52 WeakPolarHBondContact OE1-CE 3.45Å; E48-K52 IonicContact OE1-NZ 3.68Å; E48-K52 PolarHBondContact OE1-NZ 3.03Å; E48-K52 IonicContact OE2-NZ 3.74Å; E48-K52 PolarHBondContact OE2-NZ 3.4Å
49	P	55.2	Low	46.8	Very low	72 Å²	72	103.7 Å²	103.7	47%	0.468	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-37	176.6	-23.9	34.8	0	0	0	113.5	G46 Q47 K52 Q53	G46-P49 WeakPolarHBondContact O-CD 3.1Å; Q47-P49 VanDerWaalsContact C-CD 3.44Å; P49-K52 PolarHBondContact O-N 3.33Å; P49-Q53 WeakPolarHBondContact O-CG 3.41Å; P49-Q53 PolarHBondContact O-N 3.2Å
50	L	54.9	Low	47.9	Very low	41 Å²	41	102.9 Å²	102.9	22%	0.215	54%	0.537	C	S	.	.	H	α-helix	trans	-75	-40.6	-173.6	-67.7	168	0	0	0	111.9	Q47 E48 Q53 F54 Q78 W79	Q47-L50 PolarHBondContact O-N 3.35Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 3.22Å; L50-Q53 PolarHBondContact O-N 2.91Å; L50-F54 PolarHBondContact O-N 3.46Å; L50-Q78 HydrophobicContact CD1-CB 4.14Å; L50-Q78 HydrophobicContact CD2-CB 4.35Å; L50-W79 HydrophobicContact CB-CB 4.47Å
51	C	56.1	Low	49.2	Very low	21 Å²	21	106.7 Å²	106.7	14%	0.142	54%	0.537	C	S	.	.	H	α-helix	trans	-62	-42.7	172.4	173.3	0	0	0	0	111.4	Q47 Q53 F54 R55	Q47-C51 PolarHBondContact O-N 2.99Å; C51-Q53 VanDerWaalsContact C-N 3.34Å; C51-Q53 PolarHBondContact O-N 2.71Å; C51-F54 PolarHBondContact O-N 2.93Å; C51-R55 WeakPolarHBondContact O-CG 3.46Å; C51-R55 PolarHBondContact O-N 2.86Å
52	K	57.8	Low	50	Low	88 Å²	88	100.1 Å²	100.1	38%	0.383	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-39	175.7	-71.2	173.5	-177.6	169.6	0	111.8	E48 P49 Q56	E48-K52 VanDerWaalsContact CD-CE 3.5Å; E48-K52 WeakPolarHBondContact O-CG 3.33Å; E48-K52 PolarHBondContact O-N 3.01Å; E48-K52 WeakPolarHBondContact OE1-CE 3.45Å; E48-K52 IonicContact OE1-NZ 3.68Å; E48-K52 PolarHBondContact OE1-NZ 3.03Å; E48-K52 IonicContact OE2-NZ 3.74Å; E48-K52 PolarHBondContact OE2-NZ 3.4Å; P49-K52 PolarHBondContact O-N 3.33Å; K52-Q56 WeakPolarHBondContact O-CB 3.46Å; K52-Q56 VanDerWaalsContact O-CG 3.24Å; K52-Q56 WeakPolarHBondContact O-CG 3.49Å; K52-Q56 PolarHBondContact O-N 3.39Å
53	Q	57.3	Low	51.4	Low	95 Å²	95	100.6 Å²	100.6	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-41.8	174	-74	175.3	13.8	0	0	113	P49 L50 C51 R55 Q56 L57 L75	P49-Q53 WeakPolarHBondContact O-CG 3.41Å; P49-Q53 PolarHBondContact O-N 3.2Å; L50-Q53 PolarHBondContact O-N 2.91Å; C51-Q53 VanDerWaalsContact C-N 3.34Å; C51-Q53 PolarHBondContact O-N 2.71Å; Q53-R55 VanDerWaalsContact C-N 3.35Å; Q53-R55 PolarHBondContact O-N 3.24Å; Q53-Q56 PolarHBondContact O-N 3.44Å; Q53-Q56 VanDerWaalsContact O-N 3.12Å; Q53-L57 PolarHBondContact O-N 3.04Å; Q53-L75 HydrophobicContact CB-CD2 4.26Å
54	F	58.8	Low	52.4	Low	58 Å²	58	91.6 Å²	91.6	25%	0.254	47%	0.468	S	S	.	.	H	α-helix	trans	-58.1	-45.3	175.3	177.4	-105.7	0	0	0	111.9	L50 C51 Q56 L72 L75 C76 W79	L50-F54 PolarHBondContact O-N 3.46Å; C51-F54 PolarHBondContact O-N 2.93Å; F54-Q56 VanDerWaalsContact C-N 3.26Å; F54-Q56 PolarHBondContact O-N 3.47Å; F54-L72 HydrophobicContact CE2-CD2 4.24Å; F54-L72 HydrophobicContact CE2-CG 4.02Å; F54-L75 HydrophobicContact CD2-CB 4.16Å; F54-C76 WeakPolarHBondContact CE2-SG 3.27Å; F54-W79 HydrophobicContact CD1-CE3 4.21Å; F54-W79 HydrophobicContact CD1-CZ3 4.02Å; F54-W79 HydrophobicContact CE1-CZ3 4.01Å; F54-W79 HydrophobicContact CG-CE3 4.45Å
55	R	55	Low	52.8	Low	123 Å²	123	93.1 Å²	93.1	46%	0.464	47%	0.469	S	S	.	.	H	α-helix	trans	-66.3	-21.6	176.1	-71	178.2	174.7	-170.9	0.3	114.5	C51 Q53 E97	C51-R55 WeakPolarHBondContact O-CG 3.46Å; C51-R55 PolarHBondContact O-N 2.86Å; Q53-R55 VanDerWaalsContact C-N 3.35Å; Q53-R55 PolarHBondContact O-N 3.24Å; R55-E97 IonicContact CZ-OE1 2.73Å; R55-E97 IonicContact NE-OE1 2.72Å; R55-E97 PolarHBondContact NE-OE1 3.32Å; R55-E97 IonicContact NH2-OE1 3.15Å; R55-E97 PolarHBondContact NH2-OE1 2.88Å
56	Q	56.9	Low	53.4	Low	140 Å²	140	95.5 Å²	95.5	65%	0.654	47%	0.467	S	S	*	.	H	α-helix	trans	-101.1	0	-175	-71.1	178.6	28.4	0	0	113.9	K52 Q53 F54 R58	K52-Q56 WeakPolarHBondContact O-CB 3.46Å; K52-Q56 VanDerWaalsContact O-CG 3.24Å; K52-Q56 WeakPolarHBondContact O-CG 3.49Å; K52-Q56 PolarHBondContact O-N 3.39Å; Q53-Q56 PolarHBondContact O-N 3.44Å; Q53-Q56 VanDerWaalsContact O-N 3.12Å; F54-Q56 VanDerWaalsContact C-N 3.26Å; F54-Q56 PolarHBondContact O-N 3.47Å; Q56-R58 PolarHBondContact O-N 2.81Å
57	L	54.8	Low	54.2	Low	58 Å²	58	98.3 Å²	98.3	30%	0.304	47%	0.465	S	S	.	.			trans	-62.5	100.8	179.6	-171.9	84.5	0	0	0	111.9	Q53 R71 L72 L75	Q53-L57 PolarHBondContact O-N 3.04Å; L57-R71 HydrophobicContact CD1-CG 3.98Å; L57-L72 HydrophobicContact CD2-CB 3.86Å; L57-L72 HydrophobicContact CD2-CD1 4.03Å; L57-L72 HydrophobicContact CD2-CG 4.26Å; L57-L75 HydrophobicContact CD1-CD1 4.16Å
58	R	54.4	Low	54.7	Low	155 Å²	155	95.1 Å²	95.1	59%	0.585	45%	0.452	S	S	*	.			trans	-87.4	130.6	174.8	-62.9	-176.5	-174.1	-167	3.2	110.7	Q56 E60 E61	Q56-R58 PolarHBondContact O-N 2.81Å; R58-E60 PolarHBondContact O-N 3.43Å; R58-E61 HydrophobicContact CB-CG 4.33Å; R58-E61 PolarHBondContact O-N 2.91Å
59	Y	50.8	Low	54.8	Low	150 Å²	150	97.2 Å²	97.2	59%	0.588	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-60.8	-30.5	177.5	-173.1	-96.3	0	0	0	112.6	E61 T62 P65 A68	Y59-E61 PolarHBondContact O-N 3.12Å; Y59-T62 PolarHBondContact O-N 2.84Å; Y59-T62 PolarHBondContact O-OG1 2.78Å; Y59-P65 HydrophobicContact CE2-CB 4.44Å; Y59-A68 HydrophobicContact CD2-CB 4.2Å; Y59-A68 HydrophobicContact CE2-CB 4.26Å
60	E	51.4	Low	55.2	Low	170 Å²	170	96.7 Å²	96.7	79%	0.794	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-64.1	-19.9	-178.8	-61.8	169.5	156.8	0	0	113.9	R58	R58-E60 PolarHBondContact O-N 3.43Å
61	E	51.5	Low	55.5	Low	148 Å²	148	99.6 Å²	99.6	69%	0.692	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-94.9	8.6	-177.8	-66.2	170	-162.8	0	0	112.8	R58 Y59	R58-E61 HydrophobicContact CB-CG 4.33Å; R58-E61 PolarHBondContact O-N 2.91Å; Y59-E61 PolarHBondContact O-N 3.12Å
62	T	52	Low	55.7	Low	37 Å²	37	101.9 Å²	101.9	23%	0.227	48%	0.482	C	S	.	.	S	Bend	trans	-116.5	139.5	-172.2	69.1	0	0	0	0	113.5	Y59 G64 A68	Y59-T62 PolarHBondContact O-N 2.84Å; Y59-T62 PolarHBondContact O-OG1 2.78Å; T62-G64 PolarHBondContact O-N 2.96Å; T62-A68 HydrophobicContact CG2-CB 4.03Å
63	T	54.7	Low	55.9	Low	125 Å²	125	105.5 Å²	105.5	77%	0.767	49%	0.493	S	S	*	.	S	Bend	trans	-70.4	7.1	179.5	23.6	0	0	0	0	115	E67	T63-E67 WeakPolarHBondContact CB-OE2 3.38Å; T63-E67 VanDerWaalsContact OG1-CD 3.28Å; T63-E67 PolarHBondContact OG1-OE2 3.42Å
64	G	58.6	Low	56.3	Low	20 Å²	20	104.9 Å²	104.9	21%	0.206	49%	0.49	C	S	.	.			trans	151	167.4	168.5	0	0	0	0	0	114	T62 R66 E67 A68	T62-G64 PolarHBondContact O-N 2.96Å; G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.84Å; G64-R66 VanDerWaalsContact O-N 3.15Å; G64-E67 PolarHBondContact O-N 3.06Å; G64-A68 PolarHBondContact O-N 2.97Å
65	P	49.8	Very low	56.4	Low	79 Å²	79	102.3 Å²	102.3	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-61	-29.6	-172.9	21.2	-32.7	0	0	0	114.1	Y59 E67 L69	Y59-P65 HydrophobicContact CE2-CB 4.44Å; P65-E67 VanDerWaalsContact C-N 3.35Å; P65-L69 WeakPolarHBondContact O-CB 3.37Å; P65-L69 WeakPolarHBondContact O-CD1 3.23Å; P65-L69 VanDerWaalsContact O-CG 3.23Å; P65-L69 WeakPolarHBondContact O-CG 3.47Å; P65-L69 PolarHBondContact O-N 2.76Å
66	R	51.3	Low	56.7	Low	218 Å²	218	98 Å²	98	82%	0.823	47%	0.467	S	S	*	.	H	α-helix	trans	-66.1	-39	174.6	174.1	174.9	-79.9	-150.3	-3	111.7	G64 L69 S70	G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 2.84Å; G64-R66 VanDerWaalsContact O-N 3.15Å; R66-L69 PolarHBondContact O-N 2.92Å; R66-S70 PolarHBondContact O-N 3.47Å; R66-S70 PolarHBondContact O-OG 3.17Å
67	E	58	Low	57	Low	112 Å²	112	94.2 Å²	94.2	52%	0.523	45%	0.45	S	S	.	.	H	α-helix	trans	-80.5	-38.8	-173.5	-161	145.6	-148.3	0	0	111.1	T63 G64 P65 L69 S70 R71	T63-E67 WeakPolarHBondContact CB-OE2 3.38Å; T63-E67 VanDerWaalsContact OG1-CD 3.28Å; T63-E67 PolarHBondContact OG1-OE2 3.42Å; G64-E67 PolarHBondContact O-N 3.06Å; P65-E67 VanDerWaalsContact C-N 3.35Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.28Å; E67-S70 PolarHBondContact O-N 3.01Å; E67-R71 WeakPolarHBondContact O-CB 3.41Å; E67-R71 PolarHBondContact O-N 3.14Å
68	A	58.9	Low	57.5	Low	10 Å²	10	95.6 Å²	95.6	8%	0.083	46%	0.455	C	S	.	.	H	α-helix	trans	-53.9	-44.7	166.1	0	0	0	0	0	112.4	Y59 T62 G64 R71 L72	Y59-A68 HydrophobicContact CD2-CB 4.2Å; Y59-A68 HydrophobicContact CE2-CB 4.26Å; T62-A68 HydrophobicContact CG2-CB 4.03Å; G64-A68 PolarHBondContact O-N 2.97Å; A68-R71 PolarHBondContact O-N 3.1Å; A68-L72 VanDerWaalsContact O-CB 3.26Å; A68-L72 WeakPolarHBondContact O-CB 3.41Å; A68-L72 PolarHBondContact O-N 3.01Å
69	L	53.7	Low	57.9	Low	121 Å²	121	89 Å²	89	63%	0.634	43%	0.43	S	S	*	.	H	α-helix	trans	-69.6	-37.5	178.4	-73.5	170.8	0	0	0	113	P65 R66 E67 R73	P65-L69 WeakPolarHBondContact O-CB 3.37Å; P65-L69 WeakPolarHBondContact O-CD1 3.23Å; P65-L69 VanDerWaalsContact O-CG 3.23Å; P65-L69 WeakPolarHBondContact O-CG 3.47Å; P65-L69 PolarHBondContact O-N 2.76Å; R66-L69 PolarHBondContact O-N 2.92Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.28Å; L69-R73 VanDerWaalsContact O-CB 3.29Å; L69-R73 WeakPolarHBondContact O-CB 3.41Å; L69-R73 PolarHBondContact O-N 2.87Å
70	S	62.9	Low	58.5	Low	62 Å²	62	82.9 Å²	82.9	43%	0.434	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-48.2	170.8	-67.8	0	0	0	0	111.1	R66 E67 R73 E74	R66-S70 PolarHBondContact O-N 3.47Å; R66-S70 PolarHBondContact O-OG 3.17Å; E67-S70 PolarHBondContact O-N 3.01Å; S70-R73 WeakPolarHBondContact O-CB 3.45Å; S70-R73 PolarHBondContact O-N 2.97Å; S70-E74 WeakPolarHBondContact O-CG 3.36Å; S70-E74 PolarHBondContact O-N 3.41Å
71	R	61.9	Low	59.2	Low	101 Å²	101	78.3 Å²	78.3	38%	0.381	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-39.6	-177.1	-170.8	58.7	179.5	161.5	3.8	112.8	L57 E67 A68 R73 E74 L75	L57-R71 HydrophobicContact CD1-CG 3.98Å; E67-R71 WeakPolarHBondContact O-CB 3.41Å; E67-R71 PolarHBondContact O-N 3.14Å; A68-R71 PolarHBondContact O-N 3.1Å; R71-R73 VanDerWaalsContact C-N 3.32Å; R71-E74 WeakPolarHBondContact CD-OE2 3.28Å; R71-E74 IonicContact CZ-OE2 3.55Å; R71-E74 IonicContact NE-OE2 3.97Å; R71-E74 IonicContact NH1-OE2 2.75Å; R71-E74 PolarHBondContact NH1-OE2 3.48Å; R71-E74 PolarHBondContact O-N 3.35Å; R71-L75 HydrophobicContact CG-CD1 4.47Å; R71-L75 WeakPolarHBondContact O-CG 3.27Å; R71-L75 PolarHBondContact O-N 3.05Å
72	L	58.7	Low	59.5	Low	69 Å²	69	74.3 Å²	74.3	36%	0.361	37%	0.373	S	S	.	.	H	α-helix	trans	-62.6	-40.6	172.8	-170.8	151.4	0	0	0	111	F54 L57 A68 L75 C76	F54-L72 HydrophobicContact CE2-CD2 4.24Å; F54-L72 HydrophobicContact CE2-CG 4.02Å; L57-L72 HydrophobicContact CD2-CB 3.86Å; L57-L72 HydrophobicContact CD2-CD1 4.03Å; L57-L72 HydrophobicContact CD2-CG 4.26Å; A68-L72 VanDerWaalsContact O-CB 3.26Å; A68-L72 WeakPolarHBondContact O-CB 3.41Å; A68-L72 PolarHBondContact O-N 3.01Å; L72-L75 PolarHBondContact O-N 2.71Å; L72-C76 PolarHBondContact O-N 3.4Å; L72-C76 PolarHBondContact O-SG 3.19Å
73	R	63.3	Low	60.2	Low	164 Å²	164	78.6 Å²	78.6	62%	0.619	39%	0.39	S	S	*	.	H	α-helix	trans	-64	-43.1	175.5	178.1	177.8	174.2	-117.6	-10.1	112.5	L69 S70 R71 C76 Q77	L69-R73 VanDerWaalsContact O-CB 3.29Å; L69-R73 WeakPolarHBondContact O-CB 3.41Å; L69-R73 PolarHBondContact O-N 2.87Å; S70-R73 WeakPolarHBondContact O-CB 3.45Å; S70-R73 PolarHBondContact O-N 2.97Å; R71-R73 VanDerWaalsContact C-N 3.32Å; R73-C76 PolarHBondContact O-N 3.37Å; R73-Q77 WeakPolarHBondContact O-CG 3.46Å; R73-Q77 PolarHBondContact O-N 3.32Å
74	E	64.7	Low	60.4	Low	82 Å²	82	77.3 Å²	77.3	38%	0.383	38%	0.382	S	S	.	.	H	α-helix	trans	-58.2	-48.8	174.4	-73.7	168.1	-169.7	0	0	111.6	S70 R71 C76 Q77 Q78	S70-E74 WeakPolarHBondContact O-CG 3.36Å; S70-E74 PolarHBondContact O-N 3.41Å; R71-E74 WeakPolarHBondContact CD-OE2 3.28Å; R71-E74 IonicContact CZ-OE2 3.55Å; R71-E74 IonicContact NE-OE2 3.97Å; R71-E74 IonicContact NH1-OE2 2.75Å; R71-E74 PolarHBondContact NH1-OE2 3.48Å; R71-E74 PolarHBondContact O-N 3.35Å; E74-C76 PolarHBondContact O-N 2.93Å; E74-Q77 PolarHBondContact O-N 3.11Å; E74-Q78 WeakPolarHBondContact O-CB 3.39Å; E74-Q78 WeakPolarHBondContact O-CG 3.29Å; E74-Q78 PolarHBondContact O-N 3.3Å
75	L	60.7	Low	60.8	Low	4 Å²	4	78.7 Å²	78.7	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-40.8	178.5	-69.8	169.1	0	0	0	111.7	Q53 F54 L57 R71 L72 Q77 Q78 W79	Q53-L75 HydrophobicContact CB-CD2 4.26Å; F54-L75 HydrophobicContact CD2-CB 4.16Å; L57-L75 HydrophobicContact CD1-CD1 4.16Å; R71-L75 HydrophobicContact CG-CD1 4.47Å; R71-L75 WeakPolarHBondContact O-CG 3.27Å; R71-L75 PolarHBondContact O-N 3.05Å; L72-L75 PolarHBondContact O-N 2.71Å; L75-Q77 PolarHBondContact O-N 3.4Å; L75-Q78 PolarHBondContact O-N 3.36Å; L75-W79 VanDerWaalsContact O-CB 3.28Å; L75-W79 WeakPolarHBondContact O-CB 3.47Å; L75-W79 PolarHBondContact O-N 2.87Å
76	C	61	Low	61.8	Low	33 Å²	33	78.2 Å²	78.2	22%	0.223	38%	0.379	C	S	.	.	H	α-helix	trans	-60.4	-41.8	172.3	-72.1	0	0	0	0	112.8	F54 L72 R73 E74 L80	F54-C76 WeakPolarHBondContact CE2-SG 3.27Å; L72-C76 PolarHBondContact O-N 3.4Å; L72-C76 PolarHBondContact O-SG 3.19Å; R73-C76 PolarHBondContact O-N 3.37Å; E74-C76 PolarHBondContact O-N 2.93Å; C76-L80 VanDerWaalsContact O-CB 3.32Å; C76-L80 WeakPolarHBondContact O-CB 3.3Å; C76-L80 PolarHBondContact O-N 2.65Å
77	Q	63.5	Low	62.4	Low	61 Å²	61	75.5 Å²	75.5	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-70.7	-37.8	178.3	-71.9	-175.5	-98.7	0	0	111.9	R73 E74 L75 Q81 P82 E83	R73-Q77 WeakPolarHBondContact O-CG 3.46Å; R73-Q77 PolarHBondContact O-N 3.32Å; E74-Q77 PolarHBondContact O-N 3.11Å; L75-Q77 PolarHBondContact O-N 3.4Å; Q77-Q81 WeakPolarHBondContact O-CA 3.49Å; Q77-Q81 PolarHBondContact O-N 2.79Å; Q77-Q81 VanDerWaalsContact O-N 3.1Å; Q77-P82 HydrophobicContact CG-CG 4.39Å; Q77-E83 PolarHBondContact NE2-OE1 2.91Å
78	Q	65.7	Low	62.7	Low	87 Å²	87	76.1 Å²	76.1	41%	0.407	38%	0.376	S	S	.	.	H	α-helix	trans	-71.1	-35.3	178.3	-70	172.2	15.5	0	0	112.9	L50 E74 L75 Q81	L50-Q78 HydrophobicContact CD1-CB 4.14Å; L50-Q78 HydrophobicContact CD2-CB 4.35Å; E74-Q78 WeakPolarHBondContact O-CB 3.39Å; E74-Q78 WeakPolarHBondContact O-CG 3.29Å; E74-Q78 PolarHBondContact O-N 3.3Å; L75-Q78 PolarHBondContact O-N 3.36Å; Q78-Q81 WeakPolarHBondContact O-CG 3.42Å
79	W	62.4	Low	62.7	Low	15 Å²	15	79.5 Å²	79.5	6%	0.057	39%	0.39	C	S	.	.	H	α-helix	trans	-83.9	-53.9	179.5	173.1	42.1	0	0	0	113.3	L50 F54 L75 L94 E97	L50-W79 HydrophobicContact CB-CB 4.47Å; F54-W79 HydrophobicContact CD1-CE3 4.21Å; F54-W79 HydrophobicContact CD1-CZ3 4.02Å; F54-W79 HydrophobicContact CE1-CZ3 4.01Å; F54-W79 HydrophobicContact CG-CE3 4.45Å; L75-W79 VanDerWaalsContact O-CB 3.28Å; L75-W79 WeakPolarHBondContact O-CB 3.47Å; L75-W79 PolarHBondContact O-N 2.87Å; W79-L94 HydrophobicContact CH2-CD2 3.83Å; W79-L94 HydrophobicContact CZ3-CD2 4.11Å; W79-E97 HydrophobicContact CH2-CB 4.37Å; W79-E97 HydrophobicContact CH2-CG 3.96Å; W79-E97 WeakPolarHBondContact CH2-OE2 3.23Å; W79-E97 HydrophobicContact CZ2-CB 4.23Å; W79-E97 HydrophobicContact CZ2-CG 3.81Å
80	L	64.3	Low	63.4	Low	22 Å²	22	75 Å²	75	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-84.1	-14.5	-175.2	-60	173.8	0	0	0	113.5	C76 H85 I90 L94	C76-L80 VanDerWaalsContact O-CB 3.32Å; C76-L80 WeakPolarHBondContact O-CB 3.3Å; C76-L80 PolarHBondContact O-N 2.65Å; L80-H85 PolarHBondContact O-ND1 3.41Å; L80-I90 HydrophobicContact CD1-CG2 4.29Å; L80-I90 HydrophobicContact CD2-CG2 4.46Å; L80-L94 HydrophobicContact CD1-CD2 4.42Å; L80-L94 HydrophobicContact CD2-CD2 4.17Å; L80-L94 HydrophobicContact CD2-CG 4.24Å
81	Q	65.3	Low	63.5	Low	75 Å²	75	77.3 Å²	77.3	35%	0.35	37%	0.373	S	S	.	.			trans	35.2	62.6	-176.3	-55.7	-176.5	4.7	0	0	113	Q77 Q78 E83 T84 H85	Q77-Q81 WeakPolarHBondContact O-CA 3.49Å; Q77-Q81 PolarHBondContact O-N 2.79Å; Q77-Q81 VanDerWaalsContact O-N 3.1Å; Q78-Q81 WeakPolarHBondContact O-CG 3.42Å; Q81-E83 PolarHBondContact O-N 2.74Å; Q81-T84 VanDerWaalsContact CB-OG1 3.27Å; Q81-T84 WeakPolarHBondContact CB-OG1 3.38Å; Q81-T84 PolarHBondContact O-N 3.03Å; Q81-T84 PolarHBondContact O-OG1 3.36Å; Q81-T84 VanDerWaalsContact O-OG1 3.05Å; Q81-T84 PolarHBondContact OE1-OG1 3.12Å; Q81-H85 PolarHBondContact O-N 3.04Å; Q81-H85 PolarHBondContact O-ND1 3.12Å; Q81-H85 VanDerWaalsContact O-ND1 3.16Å
82	P	58.8	Low	63.7	Low	64 Å²	64	76.7 Å²	76.7	42%	0.416	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.4	-175.1	29.4	-36.8	0	0	0	114.1	Q77 I90	Q77-P82 HydrophobicContact CG-CG 4.39Å; P82-I90 HydrophobicContact CB-CD1 3.94Å
83	E	65.5	Low	64	Low	127 Å²	127	75.5 Å²	75.5	59%	0.593	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-18	170.7	-59.6	77	-168.6	0	0	113.1	Q77 Q81	Q77-E83 PolarHBondContact NE2-OE1 2.91Å; Q81-E83 PolarHBondContact O-N 2.74Å
84	T	59	Low	64.3	Low	98 Å²	98	70.8 Å²	70.8	60%	0.601	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	-32.8	179.6	56.5	0	0	0	0	113.6	Q81	Q81-T84 VanDerWaalsContact CB-OG1 3.27Å; Q81-T84 WeakPolarHBondContact CB-OG1 3.38Å; Q81-T84 PolarHBondContact O-N 3.03Å; Q81-T84 PolarHBondContact O-OG1 3.36Å; Q81-T84 VanDerWaalsContact O-OG1 3.05Å; Q81-T84 PolarHBondContact OE1-OG1 3.12Å
85	H	66.5	Low	64.4	Low	49 Å²	49	70.5 Å²	70.5	23%	0.227	36%	0.359	C	S	.	.	S	Bend	trans	-89.7	142.8	-178.5	-64.1	83.7	0	0	0	112.9	L80 Q81 Q89 I90	L80-H85 PolarHBondContact O-ND1 3.41Å; Q81-H85 PolarHBondContact O-N 3.04Å; Q81-H85 PolarHBondContact O-ND1 3.12Å; Q81-H85 VanDerWaalsContact O-ND1 3.16Å; H85-Q89 HydrophobicContact CB-CB 4.2Å; H85-I90 HydrophobicContact CB-CD1 4.29Å; H85-I90 HydrophobicContact CB-CG1 3.72Å
86	T	72.5	Confident	64.6	Low	69 Å²	69	72.8 Å²	72.8	42%	0.423	37%	0.371	S	S	.	.			trans	-69	162	168.4	61.4	0	0	0	0	111.2	E88 Q89 I90	T86-E88 PolarHBondContact O-N 3.32Å; T86-Q89 PolarHBondContact O-N 3.46Å; T86-Q89 VanDerWaalsContact OG1-CD 3.28Å; T86-Q89 VanDerWaalsContact OG1-CG 3.32Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.42Å; T86-Q89 PolarHBondContact OG1-N 2.92Å; T86-Q89 PolarHBondContact OG1-OE1 3.14Å; T86-I90 VanDerWaalsContact O-CG1 3.3Å; T86-I90 WeakPolarHBondContact O-CG1 3.35Å; T86-I90 PolarHBondContact O-N 3.35Å
87	K	64.1	Low	64.8	Low	161 Å²	161	72.8 Å²	72.8	70%	0.7	37%	0.367	S	S	*	.	H	α-helix	trans	-63.9	-32.3	-178.8	-66.7	176.8	-177.6	172.1	0	111.7	L91	K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.32Å; K87-L91 PolarHBondContact O-N 3.45Å
88	E	63.4	Low	64.8	Low	125 Å²	125	74.8 Å²	74.8	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-62.7	-52.8	175.2	-64.7	64.2	-148.2	0	0	109.5	T86 I90 L91 E92	T86-E88 PolarHBondContact O-N 3.32Å; E88-I90 PolarHBondContact O-N 2.84Å; E88-L91 PolarHBondContact O-N 3.38Å; E88-E92 WeakPolarHBondContact O-CG 3.41Å; E88-E92 PolarHBondContact O-N 2.92Å
89	Q	58.2	Low	64.6	Low	81 Å²	81	77.1 Å²	77.1	38%	0.379	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-38.7	176.1	-70.6	163.7	-52.9	0	0	113.3	H85 T86 L91 E92 L93	H85-Q89 HydrophobicContact CB-CB 4.2Å; T86-Q89 PolarHBondContact O-N 3.46Å; T86-Q89 VanDerWaalsContact OG1-CD 3.28Å; T86-Q89 VanDerWaalsContact OG1-CG 3.32Å; T86-Q89 WeakPolarHBondContact OG1-CG 3.42Å; T86-Q89 PolarHBondContact OG1-N 2.92Å; T86-Q89 PolarHBondContact OG1-OE1 3.14Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.2Å; Q89-E92 PolarHBondContact O-N 3.37Å; Q89-L93 WeakPolarHBondContact O-CG 3.35Å; Q89-L93 PolarHBondContact O-N 3.48Å
90	I	69	Low	64.5	Low	27 Å²	27	79.6 Å²	79.6	14%	0.138	40%	0.4	C	S	.	.	H	α-helix	trans	-63.1	-39.5	175.4	-64.8	162.3	0	0	0	110.7	L80 P82 H85 T86 E88 L94	L80-I90 HydrophobicContact CD1-CG2 4.29Å; L80-I90 HydrophobicContact CD2-CG2 4.46Å; P82-I90 HydrophobicContact CB-CD1 3.94Å; H85-I90 HydrophobicContact CB-CD1 4.29Å; H85-I90 HydrophobicContact CB-CG1 3.72Å; T86-I90 VanDerWaalsContact O-CG1 3.3Å; T86-I90 WeakPolarHBondContact O-CG1 3.35Å; T86-I90 PolarHBondContact O-N 3.35Å; E88-I90 PolarHBondContact O-N 2.84Å; I90-L94 HydrophobicContact CG2-CD1 4.09Å; I90-L94 WeakPolarHBondContact O-CD1 3.21Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.27Å; I90-L94 PolarHBondContact O-N 3.05Å; I90-L94 VanDerWaalsContact O-N 3.11Å
91	L	65.2	Low	64.3	Low	109 Å²	109	82.5 Å²	82.5	57%	0.571	42%	0.415	S	S	*	.	H	α-helix	trans	-69.2	-38	174.8	-72.7	168.5	0	0	0	111.9	K87 E88 Q89 L94 V95	K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 VanDerWaalsContact O-CG 3.25Å; K87-L91 WeakPolarHBondContact O-CG 3.32Å; K87-L91 PolarHBondContact O-N 3.45Å; E88-L91 PolarHBondContact O-N 3.38Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.2Å; L91-L94 PolarHBondContact O-N 3.49Å; L91-V95 WeakPolarHBondContact O-CB 3.42Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 2.98Å
92	E	65.3	Low	63.8	Low	88 Å²	88	84.9 Å²	84.9	41%	0.411	43%	0.428	S	S	.	.	H	α-helix	trans	-61.9	-46.1	174.2	-72.5	172.7	158.3	0	0	111.3	E88 Q89 L94 V95 L96	E88-E92 WeakPolarHBondContact O-CG 3.41Å; E88-E92 PolarHBondContact O-N 2.92Å; Q89-E92 PolarHBondContact O-N 3.37Å; E92-L94 PolarHBondContact O-N 3.22Å; E92-V95 PolarHBondContact O-N 3.16Å; E92-L96 WeakPolarHBondContact O-CB 3.32Å; E92-L96 VanDerWaalsContact O-CG 3.32Å; E92-L96 WeakPolarHBondContact O-CG 3.26Å; E92-L96 PolarHBondContact O-N 3.23Å
93	L	66.4	Low	63.7	Low	44 Å²	44	84.3 Å²	84.3	23%	0.23	42%	0.422	C	S	.	.	H	α-helix	trans	-57.9	-47	174.4	-72.2	170.6	0	0	0	112.3	Q89 V95 L96 E97	Q89-L93 WeakPolarHBondContact O-CG 3.35Å; Q89-L93 PolarHBondContact O-N 3.48Å; L93-V95 VanDerWaalsContact C-N 3.35Å; L93-V95 PolarHBondContact O-N 3.27Å; L93-L96 PolarHBondContact O-N 3.15Å; L93-E97 WeakPolarHBondContact O-CB 3.35Å; L93-E97 PolarHBondContact O-N 3.16Å
94	L	68	Low	63.3	Low	66 Å²	66	81.7 Å²	81.7	35%	0.346	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-35.5	177.6	-71.1	167	0	0	0	112.8	W79 L80 I90 L91 E92 Q98	W79-L94 HydrophobicContact CH2-CD2 3.83Å; W79-L94 HydrophobicContact CZ3-CD2 4.11Å; L80-L94 HydrophobicContact CD1-CD2 4.42Å; L80-L94 HydrophobicContact CD2-CD2 4.17Å; L80-L94 HydrophobicContact CD2-CG 4.24Å; I90-L94 HydrophobicContact CG2-CD1 4.09Å; I90-L94 WeakPolarHBondContact O-CD1 3.21Å; I90-L94 VanDerWaalsContact O-CG 3.26Å; I90-L94 WeakPolarHBondContact O-CG 3.27Å; I90-L94 PolarHBondContact O-N 3.05Å; I90-L94 VanDerWaalsContact O-N 3.11Å; L91-L94 PolarHBondContact O-N 3.49Å; E92-L94 PolarHBondContact O-N 3.22Å; L94-Q98 PolarHBondContact O-N 2.87Å
95	V	67.3	Low	63	Low	76 Å²	76	84.9 Å²	84.9	46%	0.461	42%	0.421	S	S	.	.	H	α-helix	trans	-71	-45.8	177	166	0	0	0	0	110.6	L91 E92 L93 E97 Q98 F99	L91-V95 WeakPolarHBondContact O-CB 3.42Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 2.98Å; E92-V95 PolarHBondContact O-N 3.16Å; L93-V95 VanDerWaalsContact C-N 3.35Å; L93-V95 PolarHBondContact O-N 3.27Å; V95-E97 VanDerWaalsContact C-N 3.32Å; V95-E97 PolarHBondContact O-N 3.16Å; V95-Q98 PolarHBondContact O-N 2.79Å; V95-Q98 VanDerWaalsContact O-N 3.17Å; V95-F99 HydrophobicContact CG1-CD2 3.68Å; V95-F99 HydrophobicContact CG1-CE2 3.69Å; V95-F99 WeakPolarHBondContact O-CD2 2.99Å; V95-F99 PolarHBondContact O-N 2.9Å
96	L	64.2	Low	62.4	Low	52 Å²	52	88.9 Å²	88.9	27%	0.272	44%	0.44	S	S	.	.	H	α-helix	trans	-58	-44.8	173.9	-72.1	173.8	0	0	0	111.1	E92 L93 Q98 F99 L100 V122	E92-L96 WeakPolarHBondContact O-CB 3.32Å; E92-L96 VanDerWaalsContact O-CG 3.32Å; E92-L96 WeakPolarHBondContact O-CG 3.26Å; E92-L96 PolarHBondContact O-N 3.23Å; L93-L96 PolarHBondContact O-N 3.15Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 PolarHBondContact O-N 2.75Å; L96-F99 PolarHBondContact O-N 2.81Å; L96-F99 VanDerWaalsContact O-N 3.15Å; L96-L100 VanDerWaalsContact O-CG 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.17Å; L96-V122 HydrophobicContact CD1-CG2 4.43Å; L96-V122 HydrophobicContact CD2-CB 4.47Å; L96-V122 HydrophobicContact CD2-CG1 4.13Å; L96-V122 HydrophobicContact CD2-CG2 3.89Å
97	E	65.5	Low	61.6	Low	32 Å²	32	88.2 Å²	88.2	15%	0.15	43%	0.434	C	S	.	.	H	α-helix	trans	-56.3	-41.7	176.3	-152.1	-124.8	149.8	0	0	112	R55 W79 L93 V95 I101	R55-E97 IonicContact CZ-OE1 2.73Å; R55-E97 IonicContact NE-OE1 2.72Å; R55-E97 PolarHBondContact NE-OE1 3.32Å; R55-E97 IonicContact NH2-OE1 3.15Å; R55-E97 PolarHBondContact NH2-OE1 2.88Å; W79-E97 HydrophobicContact CH2-CB 4.37Å; W79-E97 HydrophobicContact CH2-CG 3.96Å; W79-E97 WeakPolarHBondContact CH2-OE2 3.23Å; W79-E97 HydrophobicContact CZ2-CB 4.23Å; W79-E97 HydrophobicContact CZ2-CG 3.81Å; L93-E97 WeakPolarHBondContact O-CB 3.35Å; L93-E97 PolarHBondContact O-N 3.16Å; V95-E97 VanDerWaalsContact C-N 3.32Å; V95-E97 PolarHBondContact O-N 3.16Å; E97-I101 WeakPolarHBondContact O-CG1 3.35Å; E97-I101 PolarHBondContact O-N 3.29Å
98	Q	64.3	Low	61.3	Low	104 Å²	104	83.2 Å²	83.2	49%	0.486	41%	0.413	S	S	.	.	H	α-helix	trans	-73.2	-34.5	177.7	-177.3	59.6	97.4	0	0	113.1	L94 V95 L96 I101 I102	L94-Q98 PolarHBondContact O-N 2.87Å; V95-Q98 PolarHBondContact O-N 2.79Å; V95-Q98 VanDerWaalsContact O-N 3.17Å; L96-Q98 VanDerWaalsContact C-N 3.27Å; L96-Q98 PolarHBondContact O-N 2.75Å; Q98-I101 PolarHBondContact O-N 3.36Å; Q98-I102 HydrophobicContact CG-CD1 4.45Å; Q98-I102 WeakPolarHBondContact O-CD1 3.12Å; Q98-I102 WeakPolarHBondContact O-CG1 3.33Å
99	F	60.9	Low	61	Low	135 Å²	135	79.9 Å²	79.9	59%	0.592	41%	0.407	S	S	*	.	H	α-helix	trans	-65.5	-43.5	172.9	-92.1	-80	0	0	0	111.6	V95 L96 I101 I102 L103	V95-F99 HydrophobicContact CG1-CD2 3.68Å; V95-F99 HydrophobicContact CG1-CE2 3.69Å; V95-F99 WeakPolarHBondContact O-CD2 2.99Å; V95-F99 PolarHBondContact O-N 2.9Å; L96-F99 PolarHBondContact O-N 2.81Å; L96-F99 VanDerWaalsContact O-N 3.15Å; F99-I101 PolarHBondContact O-N 3.05Å; F99-I101 VanDerWaalsContact O-N 3.16Å; F99-I102 PolarHBondContact O-N 3.47Å; F99-L103 PolarHBondContact O-N 3.16Å
100	L	60	Low	60.9	Low	67 Å²	67	81.1 Å²	81.1	35%	0.351	41%	0.408	S	S	.	.	H	α-helix	trans	-62.5	-21.3	178.4	-68.1	173.4	0	0	0	113.7	L96 L103 Q108 V111	L96-L100 VanDerWaalsContact O-CG 3.32Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.17Å; L100-L103 HydrophobicContact CD2-CD1 4.17Å; L100-Q108 PolarHBondContact O-NE2 3.27Å; L100-V111 HydrophobicContact CD2-CB 4.29Å; L100-V111 HydrophobicContact CD2-CG1 3.51Å
101	I	61.5	Low	60.3	Low	84 Å²	84	80.7 Å²	80.7	43%	0.431	41%	0.406	S	S	.	.	H	α-helix	trans	-77	-23.5	173.5	-69.8	166.4	0	0	0	112.3	E97 Q98 F99	E97-I101 WeakPolarHBondContact O-CG1 3.35Å; E97-I101 PolarHBondContact O-N 3.29Å; Q98-I101 PolarHBondContact O-N 3.36Å; F99-I101 PolarHBondContact O-N 3.05Å; F99-I101 VanDerWaalsContact O-N 3.16Å
102	I	54.9	Low	60	Low	124 Å²	124	79.7 Å²	79.7	64%	0.636	40%	0.399	S	S	*	.	H	α-helix	trans	-94.7	-18.3	-172.1	-63.7	166.3	0	0	0	112.1	Q98 F99	Q98-I102 HydrophobicContact CG-CD1 4.45Å; Q98-I102 WeakPolarHBondContact O-CD1 3.12Å; Q98-I102 WeakPolarHBondContact O-CG1 3.33Å; F99-I102 PolarHBondContact O-N 3.47Å
103	L	56.3	Low	59.5	Low	52 Å²	52	82.4 Å²	82.4	27%	0.272	41%	0.412	S	S	.	.	S	Bend	trans	-66.5	143.8	177.5	-66.4	177.3	0	0	0	112.7	F99 L100 L107 V111	F99-L103 PolarHBondContact O-N 3.16Å; L100-L103 HydrophobicContact CD2-CD1 4.17Å; L103-L107 HydrophobicContact CB-CB 4.47Å; L103-V111 HydrophobicContact CD1-CG2 4.22Å
104	P	56.5	Low	59	Low	73 Å²	73	85.4 Å²	85.4	47%	0.474	42%	0.424	S	S	.	.			trans	-51.4	149.8	164.1	-25.6	34.3	0	0	0	112.1	E106 L107 Q108	P104-E106 VanDerWaalsContact CB-OE2 3.28Å; P104-E106 WeakPolarHBondContact CB-OE2 3.45Å; P104-E106 PolarHBondContact O-N 3.12Å; P104-E106 VanDerWaalsContact O-N 3.17Å; P104-L107 HydrophobicContact CG-CD1 4.5Å; P104-L107 PolarHBondContact O-N 3.39Å; P104-L107 VanDerWaalsContact O-N 3.1Å; P104-Q108 WeakPolarHBondContact O-CB 3.48Å; P104-Q108 PolarHBondContact O-N 3.02Å
105	K	53.4	Low	58.5	Low	164 Å²	164	87.7 Å²	87.7	71%	0.713	43%	0.433	S	S	*	.	H	α-helix	trans	-61	-31.6	-173	-67.3	-178.4	178.1	-179.6	0	112.8	Q108 A109	K105-Q108 PolarHBondContact O-N 3.01Å; K105-A109 PolarHBondContact O-N 3.31Å
106	E	53.9	Low	57.9	Low	133 Å²	133	85.7 Å²	85.7	62%	0.621	42%	0.422	S	S	*	.	H	α-helix	trans	-67.7	-40.2	-178.7	-56.6	67.5	-145.9	0	0	110.4	P104	P104-E106 VanDerWaalsContact CB-OE2 3.28Å; P104-E106 WeakPolarHBondContact CB-OE2 3.45Å; P104-E106 PolarHBondContact O-N 3.12Å; P104-E106 VanDerWaalsContact O-N 3.17Å
107	L	54.7	Low	57.2	Low	55 Å²	55	90.1 Å²	90.1	29%	0.288	44%	0.441	S	S	.	.	H	α-helix	trans	-79.1	-35.7	172.7	-61.1	-176.9	0	0	0	111.6	L103 P104 A109 R110 V111 L129	L103-L107 HydrophobicContact CB-CB 4.47Å; P104-L107 HydrophobicContact CG-CD1 4.5Å; P104-L107 PolarHBondContact O-N 3.39Å; P104-L107 VanDerWaalsContact O-N 3.1Å; L107-A109 PolarHBondContact O-N 2.91Å; L107-R110 PolarHBondContact O-N 2.93Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 3.35Å; L107-L129 HydrophobicContact CD2-CD1 4.4Å; L107-L129 HydrophobicContact CD2-CD2 4.06Å
108	Q	57.6	Low	56.5	Low	56 Å²	56	90.6 Å²	90.6	26%	0.262	45%	0.447	S	S	.	.	H	α-helix	trans	-60.2	-34.5	176	-172.8	176.6	80.8	0	0	112	L100 P104 K105 Q112	L100-Q108 PolarHBondContact O-NE2 3.27Å; P104-Q108 WeakPolarHBondContact O-CB 3.48Å; P104-Q108 PolarHBondContact O-N 3.02Å; K105-Q108 PolarHBondContact O-N 3.01Å; Q108-Q112 WeakPolarHBondContact O-CB 3.28Å; Q108-Q112 WeakPolarHBondContact O-CG 3.14Å; Q108-Q112 PolarHBondContact O-N 3.35Å; Q108-Q112 VanDerWaalsContact O-N 3.17Å
109	A	58.3	Low	55.5	Low	56 Å²	56	93 Å²	93	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-67.7	-47.1	173	0	0	0	0	0	112.6	K105 L107 Q112 E113	K105-A109 PolarHBondContact O-N 3.31Å; L107-A109 PolarHBondContact O-N 2.91Å; A109-Q112 WeakPolarHBondContact O-CB 3.46Å; A109-Q112 PolarHBondContact O-N 3.48Å; A109-E113 PolarHBondContact O-N 2.88Å; A109-E113 VanDerWaalsContact O-N 3.1Å
110	R	56.7	Low	55	Low	107 Å²	107	91.1 Å²	91.1	40%	0.404	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-38.7	178	-78.8	178.8	154.5	-154.5	-11.5	113.4	L107 Q112 E113 H114 L129 D132	L107-R110 PolarHBondContact O-N 2.93Å; R110-Q112 VanDerWaalsContact C-N 3.25Å; R110-Q112 PolarHBondContact O-N 3.21Å; R110-E113 WeakPolarHBondContact O-CB 3.4Å; R110-E113 PolarHBondContact O-N 3.36Å; R110-H114 PolarHBondContact O-CD2 3.2Å; R110-H114 PolarHBondContact O-N 2.71Å; R110-L129 HydrophobicContact CB-CD2 4.49Å; R110-D132 IonicContact CZ-OD2 2.67Å; R110-D132 IonicContact NH1-OD2 2.64Å; R110-D132 PolarHBondContact NH1-OD2 3.38Å; R110-D132 IonicContact NH2-OD2 2.89Å; R110-D132 PolarHBondContact NH2-OD2 2.95Å
111	V	55.6	Low	54.8	Low	17 Å²	17	91.1 Å²	91.1	10%	0.103	45%	0.446	C	S	.	.	H	α-helix	trans	-70.7	-24	175.3	-178	0	0	0	0	111.6	L100 L103 L107 P116 V125 L129	L100-V111 HydrophobicContact CD2-CB 4.29Å; L100-V111 HydrophobicContact CD2-CG1 3.51Å; L103-V111 HydrophobicContact CD1-CG2 4.22Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 3.35Å; V111-P116 HydrophobicContact CG1-CG 4.25Å; V111-V125 HydrophobicContact CG2-CG1 4.04Å; V111-L129 HydrophobicContact CG2-CD1 4.16Å
112	Q	58.6	Low	54.5	Low	89 Å²	89	88.7 Å²	88.7	42%	0.416	44%	0.435	S	S	.	.	H	α-helix	trans	-73.2	-24.8	167.3	-77.2	168.1	18.4	0	0	113.1	Q108 A109 R110 H115	Q108-Q112 WeakPolarHBondContact O-CB 3.28Å; Q108-Q112 WeakPolarHBondContact O-CG 3.14Å; Q108-Q112 PolarHBondContact O-N 3.35Å; Q108-Q112 VanDerWaalsContact O-N 3.17Å; A109-Q112 WeakPolarHBondContact O-CB 3.46Å; A109-Q112 PolarHBondContact O-N 3.48Å; R110-Q112 VanDerWaalsContact C-N 3.25Å; R110-Q112 PolarHBondContact O-N 3.21Å; Q112-H115 PolarHBondContact O-CE1 2.87Å; Q112-H115 PolarHBondContact O-ND1 2.99Å; Q112-H115 PolarHBondContact O-NE2 3.31Å
113	E	55.7	Low	54.5	Low	145 Å²	145	86.2 Å²	86.2	68%	0.678	43%	0.425	S	S	*	.	H	α-helix	trans	-79.3	-34.8	178.4	-171.5	168.1	-157.6	0	0	112.5	A109 R110	A109-E113 PolarHBondContact O-N 2.88Å; A109-E113 VanDerWaalsContact O-N 3.1Å; R110-E113 WeakPolarHBondContact O-CB 3.4Å; R110-E113 PolarHBondContact O-N 3.36Å
114	H	55.6	Low	54.8	Low	106 Å²	106	87.3 Å²	87.3	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-88.7	-9.4	-178.7	-76.2	-116.5	0	0	0	115.4	R110 V125	R110-H114 PolarHBondContact O-CD2 3.2Å; R110-H114 PolarHBondContact O-N 2.71Å; H114-V125 HydrophobicContact CB-CG1 4.31Å; H114-V125 HydrophobicContact CB-CG2 3.61Å
115	H	57.1	Low	54.9	Low	115 Å²	115	84.4 Å²	84.4	53%	0.532	42%	0.415	S	S	.	.			trans	40.7	56.1	174.3	-63.7	-61.6	0	0	0	116.9	Q112 E117	Q112-H115 PolarHBondContact O-CE1 2.87Å; Q112-H115 PolarHBondContact O-ND1 2.99Å; Q112-H115 PolarHBondContact O-NE2 3.31Å; H115-E117 PolarHBondContact O-N 3.36Å
116	P	54.4	Low	55	Low	34 Å²	34	80.4 Å²	80.4	22%	0.221	40%	0.401	C	S	.	.			trans	-67.2	123	-178.3	28	-35.2	0	0	0	112.6	V111 D121 V122	V111-P116 HydrophobicContact CG1-CG 4.25Å; P116-D121 HydrophobicContact CB-CB 3.49Å; P116-D121 VanDerWaalsContact CB-CB 3.49Å; P116-V122 HydrophobicContact CB-CG2 3.75Å; P116-V122 HydrophobicContact CG-CG2 3.85Å
117	E	48.7	Very low	55.3	Low	145 Å²	145	79.4 Å²	79.4	68%	0.678	40%	0.396	S	S	*	.			trans	-95.6	-14.9	-179.3	-66.6	-165.2	148.2	0	0	113.4	H115 D121	H115-E117 PolarHBondContact O-N 3.36Å; E117-D121 PolarHBondContact N-OD2 2.97Å
118	S	51.7	Low	55.6	Low	41 Å²	41	80.2 Å²	80.2	29%	0.287	40%	0.401	S	S	.	.	S	Bend	trans	-129.5	164.9	177.9	74.1	0	0	0	0	113.3	E120 D121 V122	S118-E120 PolarHBondContact O-N 3.42Å; S118-E120 PolarHBondContact OG-N 3.26Å; S118-D121 VanDerWaalsContact CB-OD2 3.3Å; S118-D121 WeakPolarHBondContact CB-OD2 3.45Å; S118-D121 PolarHBondContact N-OD2 3.1Å; S118-D121 PolarHBondContact O-N 3.39Å; S118-D121 PolarHBondContact OG-N 2.84Å; S118-D121 PolarHBondContact OG-OD2 3.26Å; S118-V122 WeakPolarHBondContact O-CG2 3.48Å; S118-V122 PolarHBondContact O-N 2.92Å
119	R	43.1	Very low	55.7	Low	154 Å²	154	78.4 Å²	78.4	58%	0.581	39%	0.393	S	S	*	.	H	α-helix	trans	-61.5	-32	174.1	67.3	-178.9	-170	-179.5	7.6	112	V122 V123	R119-V122 PolarHBondContact O-N 3.33Å; R119-V123 WeakPolarHBondContact O-CG2 3.45Å; R119-V123 PolarHBondContact O-N 3.14Å; R119-V123 VanDerWaalsContact O-N 3.08Å
120	E	50.5	Low	55.6	Low	96 Å²	96	82.6 Å²	82.6	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-44.8	173.7	-77	74.5	-167.3	0	0	110.7	S118 V122 V123 V124	S118-E120 PolarHBondContact O-N 3.42Å; S118-E120 PolarHBondContact OG-N 3.26Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 3.45Å; E120-V123 PolarHBondContact O-N 3.25Å; E120-V123 VanDerWaalsContact O-N 3.17Å; E120-V124 WeakPolarHBondContact O-CG2 3.48Å; E120-V124 PolarHBondContact O-N 2.92Å
121	D	55.8	Low	55.6	Low	68 Å²	68	82.9 Å²	82.9	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-64.6	-37.8	176.8	-50.9	-50.7	0	0	0	111.8	P116 E117 S118 V123 V124 V125	P116-D121 HydrophobicContact CB-CB 3.49Å; P116-D121 VanDerWaalsContact CB-CB 3.49Å; E117-D121 PolarHBondContact N-OD2 2.97Å; S118-D121 VanDerWaalsContact CB-OD2 3.3Å; S118-D121 WeakPolarHBondContact CB-OD2 3.45Å; S118-D121 PolarHBondContact N-OD2 3.1Å; S118-D121 PolarHBondContact O-N 3.39Å; S118-D121 PolarHBondContact OG-N 2.84Å; S118-D121 PolarHBondContact OG-OD2 3.26Å; D121-V123 VanDerWaalsContact C-N 3.3Å; D121-V123 PolarHBondContact O-N 3.15Å; D121-V124 PolarHBondContact O-N 3.37Å; D121-V125 WeakPolarHBondContact O-CG2 3.26Å; D121-V125 PolarHBondContact O-N 3.34Å
122	V	54.9	Low	55.6	Low	33 Å²	33	85.6 Å²	85.6	20%	0.2	43%	0.426	C	S	.	.	H	α-helix	trans	-64	-36.1	174.9	175	0	0	0	0	111.4	L96 P116 S118 R119 E120 L126	L96-V122 HydrophobicContact CD1-CG2 4.43Å; L96-V122 HydrophobicContact CD2-CB 4.47Å; L96-V122 HydrophobicContact CD2-CG1 4.13Å; L96-V122 HydrophobicContact CD2-CG2 3.89Å; P116-V122 HydrophobicContact CB-CG2 3.75Å; P116-V122 HydrophobicContact CG-CG2 3.85Å; S118-V122 WeakPolarHBondContact O-CG2 3.48Å; S118-V122 PolarHBondContact O-N 2.92Å; R119-V122 PolarHBondContact O-N 3.33Å; E120-V122 VanDerWaalsContact C-N 3.34Å; E120-V122 PolarHBondContact O-N 3.45Å; V122-L126 HydrophobicContact CG1-CD1 3.99Å; V122-L126 WeakPolarHBondContact O-CB 3.26Å; V122-L126 WeakPolarHBondContact O-CD1 3.38Å; V122-L126 VanDerWaalsContact O-CG 3.22Å; V122-L126 WeakPolarHBondContact O-CG 3.43Å; V122-L126 PolarHBondContact O-N 3.36Å; V122-L126 VanDerWaalsContact O-N 3.11Å
123	V	54.6	Low	55.3	Low	71 Å²	71	87.6 Å²	87.6	43%	0.43	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-47.7	173.7	169.1	0	0	0	0	110.5	R119 E120 D121 V125 L126 E127	R119-V123 WeakPolarHBondContact O-CG2 3.45Å; R119-V123 PolarHBondContact O-N 3.14Å; R119-V123 VanDerWaalsContact O-N 3.08Å; E120-V123 PolarHBondContact O-N 3.25Å; E120-V123 VanDerWaalsContact O-N 3.17Å; D121-V123 VanDerWaalsContact C-N 3.3Å; D121-V123 PolarHBondContact O-N 3.15Å; V123-V125 PolarHBondContact O-N 3.48Å; V123-L126 CarbonylContact O-C 3.51Å; V123-L126 PolarHBondContact O-N 3.19Å; V123-L126 VanDerWaalsContact O-N 3.08Å; V123-E127 HydrophobicContact CG1-CG 4.21Å; V123-E127 WeakPolarHBondContact CG1-OE1 3.47Å; V123-E127 WeakPolarHBondContact O-CG 3.27Å; V123-E127 PolarHBondContact O-N 3Å
124	V	62.4	Low	54.8	Low	75 Å²	75	83.3 Å²	83.3	46%	0.455	43%	0.434	S	S	.	.	H	α-helix	trans	-57.3	-47.7	177.4	173.4	0	0	0	0	111.4	E120 D121 L126 E127 D128	E120-V124 WeakPolarHBondContact O-CG2 3.48Å; E120-V124 PolarHBondContact O-N 2.92Å; D121-V124 PolarHBondContact O-N 3.37Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.4Å; V124-E127 PolarHBondContact O-N 2.63Å; V124-E127 VanDerWaalsContact O-N 3.14Å; V124-D128 WeakPolarHBondContact O-CB 3.41Å; V124-D128 PolarHBondContact O-N 2.98Å
125	V	59.9	Low	54.4	Low	12 Å²	12	86.6 Å²	86.6	7%	0.073	45%	0.449	C	S	.	.	H	α-helix	trans	-63.1	-32.3	177.9	173.1	0	0	0	0	112.1	V111 H114 D121 V123 L129	V111-V125 HydrophobicContact CG2-CG1 4.04Å; H114-V125 HydrophobicContact CB-CG1 4.31Å; H114-V125 HydrophobicContact CB-CG2 3.61Å; D121-V125 WeakPolarHBondContact O-CG2 3.26Å; D121-V125 PolarHBondContact O-N 3.34Å; V123-V125 PolarHBondContact O-N 3.48Å; V125-L129 HydrophobicContact CG1-CD1 4.17Å; V125-L129 WeakPolarHBondContact O-CB 3.47Å; V125-L129 WeakPolarHBondContact O-CD1 3.34Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 2.85Å; V125-L129 VanDerWaalsContact O-N 3.12Å
126	L	54.4	Low	53.6	Low	81 Å²	81	86.8 Å²	86.8	42%	0.424	46%	0.459	S	S	.	.	H	α-helix	trans	-78.1	-29.1	175.3	-72.3	171.1	0	0	0	113.3	V122 V123 V124 Q130	V122-L126 HydrophobicContact CG1-CD1 3.99Å; V122-L126 WeakPolarHBondContact O-CB 3.26Å; V122-L126 WeakPolarHBondContact O-CD1 3.38Å; V122-L126 VanDerWaalsContact O-CG 3.22Å; V122-L126 WeakPolarHBondContact O-CG 3.43Å; V122-L126 PolarHBondContact O-N 3.36Å; V122-L126 VanDerWaalsContact O-N 3.11Å; V123-L126 CarbonylContact O-C 3.51Å; V123-L126 PolarHBondContact O-N 3.19Å; V123-L126 VanDerWaalsContact O-N 3.08Å; V124-L126 VanDerWaalsContact C-N 3.27Å; V124-L126 PolarHBondContact O-N 3.4Å; L126-Q130 WeakPolarHBondContact O-CG 3.4Å; L126-Q130 PolarHBondContact O-N 3.35Å; L126-Q130 VanDerWaalsContact O-N 3.16Å
127	E	61.5	Low	53.3	Low	112 Å²	112	88.2 Å²	88.2	52%	0.523	48%	0.479	S	S	.	.	H	α-helix	trans	-73.8	-44.7	173.9	-72.6	177.1	168.1	0	0	110.7	V123 V124 L129 Q130 L131	V123-E127 HydrophobicContact CG1-CG 4.21Å; V123-E127 WeakPolarHBondContact CG1-OE1 3.47Å; V123-E127 WeakPolarHBondContact O-CG 3.27Å; V123-E127 PolarHBondContact O-N 3Å; V124-E127 PolarHBondContact O-N 2.63Å; V124-E127 VanDerWaalsContact O-N 3.14Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.07Å; E127-Q130 WeakPolarHBondContact O-CA 3.42Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 2.9Å; E127-L131 WeakPolarHBondContact O-CG 3.2Å; E127-L131 PolarHBondContact O-N 3.07Å
128	D	61.5	Low	52.6	Low	71 Å²	71	89.9 Å²	89.9	38%	0.38	49%	0.487	S	S	.	.	H	α-helix	trans	-56.9	-45.2	171	-74.6	-17.8	0	0	0	111.2	V124 Q130 L131 D132	V124-D128 WeakPolarHBondContact O-CB 3.41Å; V124-D128 PolarHBondContact O-N 2.98Å; D128-Q130 PolarHBondContact O-N 3.07Å; D128-L131 PolarHBondContact O-N 2.95Å; D128-L131 VanDerWaalsContact O-N 3.16Å; D128-D132 PolarHBondContact O-N 2.78Å
129	L	59.3	Low	51.9	Low	19 Å²	19	97 Å²	97	10%	0.099	52%	0.515	C	S	.	.	H	α-helix	trans	-64.8	-24.1	175.1	-76.2	171.2	0	0	0	113.7	L107 R110 V111 V125 E127 L133	L107-L129 HydrophobicContact CD2-CD1 4.4Å; L107-L129 HydrophobicContact CD2-CD2 4.06Å; R110-L129 HydrophobicContact CB-CD2 4.49Å; V111-L129 HydrophobicContact CG2-CD1 4.16Å; V125-L129 HydrophobicContact CG1-CD1 4.17Å; V125-L129 WeakPolarHBondContact O-CB 3.47Å; V125-L129 WeakPolarHBondContact O-CD1 3.34Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 2.85Å; V125-L129 VanDerWaalsContact O-N 3.12Å; E127-L129 VanDerWaalsContact C-N 3.33Å; E127-L129 PolarHBondContact O-N 3.07Å; L129-L133 WeakPolarHBondContact O-CD1 3.39Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.11Å; L129-L133 PolarHBondContact O-N 2.82Å
130	Q	55.1	Low	51.2	Low	144 Å²	144	96.7 Å²	96.7	67%	0.673	53%	0.53	S	S	*	.	H	α-helix	trans	-80.4	-32.3	172.5	-77.8	179.8	16.8	0	0	112.4	L126 E127 D128 G134	L126-Q130 WeakPolarHBondContact O-CG 3.4Å; L126-Q130 PolarHBondContact O-N 3.35Å; L126-Q130 VanDerWaalsContact O-N 3.16Å; E127-Q130 WeakPolarHBondContact O-CA 3.42Å; E127-Q130 WeakPolarHBondContact O-CB 3.46Å; E127-Q130 PolarHBondContact O-N 2.9Å; D128-Q130 PolarHBondContact O-N 3.07Å; Q130-G134 PolarHBondContact O-N 3.35Å; Q130-G134 VanDerWaalsContact O-N 3.1Å
131	L	57.8	Low	50.1	Low	112 Å²	112	98.8 Å²	98.8	59%	0.586	55%	0.545	S	S	*	.	H	α-helix	trans	-67.8	-46.2	173.7	-67	169.8	0	0	0	111.1	E127 D128 L133 G134 E135	E127-L131 WeakPolarHBondContact O-CG 3.2Å; E127-L131 PolarHBondContact O-N 3.07Å; D128-L131 PolarHBondContact O-N 2.95Å; D128-L131 VanDerWaalsContact O-N 3.16Å; L131-L133 PolarHBondContact O-N 3.25Å; L131-G134 WeakPolarHBondContact O-CA 3.39Å; L131-G134 PolarHBondContact O-N 3.42Å; L131-E135 PolarHBondContact O-N 3.43Å
132	D	54.9	Low	49.2	Very low	75 Å²	75	101.4 Å²	101.4	40%	0.401	57%	0.566	S	S	.	*	H	α-helix	trans	-55.8	-37.4	175.1	-115.7	40	0	0	0	112.7	R110 D128	R110-D132 IonicContact CZ-OD2 2.67Å; R110-D132 IonicContact NH1-OD2 2.64Å; R110-D132 PolarHBondContact NH1-OD2 3.38Å; R110-D132 IonicContact NH2-OD2 2.89Å; R110-D132 PolarHBondContact NH2-OD2 2.95Å; D128-D132 PolarHBondContact O-N 2.78Å
133	L	51.9	Low	48.2	Very low	130 Å²	130	106.1 Å²	106.1	68%	0.681	59%	0.589	S	S	*	*	H	α-helix	trans	-80.7	-14.5	176.2	-69.6	172.2	0	0	0	113.5	L129 L131 T136	L129-L133 WeakPolarHBondContact O-CD1 3.39Å; L129-L133 VanDerWaalsContact O-CG 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.11Å; L129-L133 PolarHBondContact O-N 2.82Å; L131-L133 PolarHBondContact O-N 3.25Å; L133-T136 PolarHBondContact O-OG1 3.23Å
134	G	46.7	Very low	46.8	Very low	56 Å²	56	110 Å²	110	58%	0.577	60%	0.603	S	S	*	*	H	α-helix	trans	-86.8	-36	175.4	0	0	0	0	0	113.5	Q130 L131	Q130-G134 PolarHBondContact O-N 3.35Å; Q130-G134 VanDerWaalsContact O-N 3.1Å; L131-G134 WeakPolarHBondContact O-CA 3.39Å; L131-G134 PolarHBondContact O-N 3.42Å
135	E	47.1	Very low	45.4	Very low	175 Å²	175	112.4 Å²	112.4	82%	0.818	62%	0.62	S	S	*	*	H	α-helix	trans	-77.2	-18.7	-177.6	-65.4	-158.1	157.7	0	0	114	L131 G137	L131-E135 PolarHBondContact O-N 3.43Å; E135-G137 PolarHBondContact O-N 3.25Å
136	T	40	Very low	43.9	Very low	119 Å²	119	121.5 Å²	121.5	73%	0.73	66%	0.659	S	S	*	*			trans	-72.9	32.9	174.7	48.4	0	0	0	0	114.4	L133	L133-T136 PolarHBondContact O-OG1 3.23Å
137	G	46.9	Very low	42.7	Very low	63 Å²	63	127.1 Å²	127.1	65%	0.649	68%	0.68	S	S	*	*			trans	-111.7	39.7	-165.4	0	0	0	0	0	116.8	E135	E135-G137 PolarHBondContact O-N 3.25Å
138	Q	33.7	Very low	40.9	Very low	181 Å²	181	130.9 Å²	130.9	85%	0.846	70%	0.697	S	S	*	*			trans	-137.6	105.7	175.1	-110.4	173.4	14.3	0	0	116
139	Q	37.9	Very low	39.2	Very low	189 Å²	189	136 Å²	136	88%	0.883	72%	0.716	S	S	*	*			trans	41.3	113.6	148.6	-61.8	-173.8	-10.5	0	0	120.8
140	V	28	Very low	37.4	Very low	148 Å²	148	140.8 Å²	140.8	90%	0.897	74%	0.741	S	S	*	*			trans	-131.6	142.6	142.3	-179.2	0	0	0	0	108.5
141	D	28.4	Very low	35.9	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	75%	0.746	S	S	*	*			trans	-76.7	146.3	-173.9	-163.6	-93.3	0	0	0	113	D143	D141-D143 PolarHBondContact O-N 2.96Å
142	P	35.6	Very low	34.2	Very low	123 Å²	123	142 Å²	142	80%	0.799	76%	0.756	S	S	*	*	S	Bend	trans	-90.7	73.2	-169.5	36.9	-37.5	0	0	0	114.8
143	D	33.7	Very low	32.7	Very low	131 Å²	131	147.2 Å²	147.2	70%	0.701	78%	0.778	S	S	*	*			trans	-143.3	152.1	159.5	-164.4	22.4	0	0	0	114.6	D141	D141-D143 PolarHBondContact O-N 2.96Å
144	Q	26.9	Very low	31.4	Very low	152 Å²	152	149.4 Å²	149.4	71%	0.71	79%	0.785	S	S	*	*			trans	70.6	123.8	174	-53.7	-158.5	-1.4	0	0	119.6
145	P	31.8	Very low	30.3	Very low	126 Å²	126	155.8 Å²	155.8	82%	0.818	80%	0.802	S	S	*	*			trans	-88.7	147.2	175.4	35.6	-34.5	0	0	0	113
146	K	27.8	Very low	29.4	Very low	203 Å²	203	151.6 Å²	151.6	88%	0.883	80%	0.797	S	S	*	*			trans	-127.1	142.7	168.2	-74.1	178.5	-179.1	167.2	0	111.8
147	K	29.1	Very low	28.7	Very low	200 Å²	200	151.5 Å²	151.5	87%	0.87	80%	0.799	S	S	*	*			trans	-107.6	134.9	-173.6	-62.1	172.5	179.8	173.2	0	111.4
148	Q	25.7	Very low	27.7	Very low	190 Å²	190	157 Å²	157	89%	0.888	81%	0.812	S	S	*	*			trans	-149.9	126.8	152	-103.7	154.3	-25.7	0	0	106.4
149	K	24.2	Very low	27.4	Very low	179 Å²	179	158.2 Å²	158.2	78%	0.778	82%	0.815	S	S	*	*			cis	61.2	130.8	45	-74.5	-160.5	149	-161.3	0	113
150	I	22.2	Very low	26.7	Very low	119 Å²	119	152.5 Å²	152.5	61%	0.61	81%	0.807	S	S	*	*			cis	-150.5	146.1	-8.4	-85.6	149.7	0	0	0	103.7
151	L	23.5	Very low	26.6	Very low	151 Å²	151	152.7 Å²	152.7	79%	0.791	81%	0.808	S	S	*	*				-165.9	140.5	100.3	-116.5	99.5	0	0	0	112.9
152	V	21.6	Very low	26.5	Very low	132 Å²	132	155 Å²	155	80%	0.8	81%	0.814	S	S	*	*			trans	-117.2	131.7	160.8	173.8	0	0	0	0	105.1
153	E	23.8	Very low	25.9	Very low	183 Å²	183	158.1 Å²	158.1	86%	0.855	82%	0.818	S	S	*	*			trans	-95.8	137.3	160.3	-90	-170.3	137.7	0	0	109.5
154	E	24.6	Very low	25.6	Very low	176 Å²	176	161.6 Å²	161.6	82%	0.822	83%	0.83	S	S	*	*			trans	-106.4	130.3	-171.9	-174.7	-177.8	161.9	0	0	109.8
155	M	24	Very low	25.5	Very low	190 Å²	190	162 Å²	162	94%	0.936	83%	0.832	S	S	*	*			trans	-117.2	118.8	168.7	-64.3	-159.8	82.9	0	0	109.9
156	A	28.6	Very low	25.2	Very low	87 Å²	87	162.5 Å²	162.5	72%	0.719	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-73.9	155.2	-170.9	0	0	0	0	0	113.6
157	P	25.6	Very low	24.9	Very low	117 Å²	117	160.5 Å²	160.5	76%	0.76	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88	145.6	-169.1	33.8	-36.3	0	0	0	114.7
158	L	24.1	Very low	24.7	Very low	180 Å²	180	160.1 Å²	160.1	94%	0.942	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-85.5	139	160.5	-71.5	173	0	0	0	110.5
159	K	28.1	Very low	24.6	Very low	206 Å²	206	157.9 Å²	157.9	90%	0.896	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-92.7	123.7	-172	-68.9	-179.3	178.4	177.8	0	113.3
160	G	24.1	Very low	24.4	Very low	69 Å²	69	155.7 Å²	155.7	71%	0.711	82%	0.816	S	S	*	*				70	121.2	128.2	0	0	0	0	0	120.6
161	V	25.1	Very low	24.4	Very low	152 Å²	152	158.6 Å²	158.6	92%	0.921	83%	0.827	S	S	*	*			trans	-129.2	160	139.4	-179.6	0	0	0	0	107.3
162	Q	27.3	Very low	24.3	Very low	190 Å²	190	158.5 Å²	158.5	89%	0.888	83%	0.832	S	S	*	*			trans	-80.3	166.5	-159.3	-69.1	163.3	-23.9	0	0	115.8
163	E	23	Very low	24.4	Very low	188 Å²	188	158.5 Å²	158.5	88%	0.879	83%	0.832	S	S	*	*			trans	-63.5	153.8	171.3	-55.4	163.4	111.1	0	0	112.4
164	Q	27.5	Very low	24.5	Very low	203 Å²	203	159.3 Å²	159.3	95%	0.949	83%	0.833	S	S	*	*			trans	-141.8	130	141.8	-119.5	178.3	18.2	0	0	110.8
165	Q	24.7	Very low	24.8	Very low	160 Å²	160	157.2 Å²	157.2	75%	0.748	84%	0.835	S	S	*	*			trans	-107	125.7	-168	-174.8	-178.4	28.7	0	0	110.3
166	V	24.1	Very low	24.8	Very low	137 Å²	137	157.6 Å²	157.6	83%	0.83	83%	0.834	S	S	*	*			trans	-124.2	112.2	165.9	-176.9	0	0	0	0	108.8
167	R	21.8	Very low	25	Very low	162 Å²	162	159.8 Å²	159.8	61%	0.611	83%	0.828	S	S	*	*			trans	-91.6	139.7	179.9	176.9	-155.6	-64.2	-116	9.3	109.7	E169	R167-E169 WeakPolarHBondContact CD-OE1 3.36Å; R167-E169 HydrophobicContact CG-CG 4.13Å; R167-E169 WeakPolarHBondContact CG-OE1 3.34Å; R167-E169 IonicContact CZ-OE1 2.71Å; R167-E169 IonicContact NE-OE1 2.67Å; R167-E169 IonicContact NH1-OE1 3.57Å; R167-E169 PolarHBondContact NH1-OE1 3.2Å
168	H	25.5	Very low	25.2	Very low	191 Å²	191	160 Å²	160	88%	0.884	82%	0.819	S	S	*	*			trans	-149.8	138.4	148.5	-90.1	98.7	0	0	0	109
169	E	22.8	Very low	25.5	Very low	143 Å²	143	159 Å²	159	67%	0.668	81%	0.806	S	S	*	*			trans	-119.6	155.6	-169.4	-68.2	159.2	-173.7	0	0	110.5	R167	R167-E169 WeakPolarHBondContact CD-OE1 3.36Å; R167-E169 HydrophobicContact CG-CG 4.13Å; R167-E169 WeakPolarHBondContact CG-OE1 3.34Å; R167-E169 IonicContact CZ-OE1 2.71Å; R167-E169 IonicContact NE-OE1 2.67Å; R167-E169 IonicContact NH1-OE1 3.57Å; R167-E169 PolarHBondContact NH1-OE1 3.2Å
170	C	19.8	Very low	25.3	Very low	134 Å²	134	152.1 Å²	152.1	91%	0.905	79%	0.794	S	S	*	*			trans	-161.3	136.3	162	-147.7	0	0	0	0	111.4
171	E	22.5	Very low	25.4	Very low	180 Å²	180	155.9 Å²	155.9	84%	0.841	79%	0.793	S	S	*	*			trans	-108	160.3	-173.8	-59.8	-178.8	106.7	0	0	113.2
172	V	22.6	Very low	25.4	Very low	148 Å²	148	155.8 Å²	155.8	90%	0.897	78%	0.783	S	S	*	*			trans	-145.3	140.3	166.1	-174.7	0	0	0	0	110.5
173	T	23.4	Very low	25.2	Very low	133 Å²	133	152 Å²	152	82%	0.816	77%	0.773	S	S	*	*			trans	-110.9	174.7	-171.5	48.6	0	0	0	0	114.7
174	K	26.1	Very low	25.2	Very low	199 Å²	199	153.1 Å²	153.1	87%	0.865	77%	0.769	S	S	*	*			trans	-111.5	165.5	-173.9	-62.3	177.9	179	175.4	0	113.9
175	P	29.3	Very low	25.2	Very low	133 Å²	133	151.2 Å²	151.2	86%	0.864	76%	0.764	S	S	*	*			trans	-142.9	-162.1	131.1	33.8	-14.4	0	0	0	115.3
176	E	25.2	Very low	25.2	Very low	197 Å²	197	150.8 Å²	150.8	92%	0.921	76%	0.761	S	S	*	*			trans	-127	-154.1	-149.7	-55.8	-178.4	108.8	0	0	118.3
177	K	31.5	Very low	25.3	Very low	134 Å²	134	150.8 Å²	150.8	58%	0.583	76%	0.757	S	S	*	*			trans	-101.7	-167.1	-160.6	-41.3	159.9	106	-159.5	0	114.8
178	E	31	Very low	26	Very low	122 Å²	122	147.1 Å²	147.1	57%	0.57	77%	0.77	S	S	*	*			cis	-138.4	-156.8	-6.7	-65	-165.8	146	0	0	108.4
179	K	30.3	Very low	26.2	Very low	157 Å²	157	147.6 Å²	147.6	68%	0.683	77%	0.769	S	S	*	*			cis	-164.9	-179.2	-6.3	-141	-173.9	-168.3	113.3	0	110.2
180	G	24	Very low	26.3	Very low	62 Å²	62	148.8 Å²	148.8	64%	0.639	78%	0.78	S	S	*	*			trans	135.9	115.9	155.9	0	0	0	0	0	118.8
181	E	26	Very low	26.5	Very low	148 Å²	148	149.3 Å²	149.3	69%	0.692	77%	0.772	S	S	*	*			trans	-103.6	-169.6	-163.3	-58.4	65.8	40.3	0	0	113.9
182	E	24.3	Very low	26.5	Very low	150 Å²	150	146.8 Å²	146.8	70%	0.701	77%	0.768	S	S	*	*			cis	-164.4	178.7	12.6	-146.1	-70.1	91.6	0	0	110.6
183	T	22.9	Very low	26.6	Very low	112 Å²	112	145.9 Å²	145.9	69%	0.687	76%	0.763	S	S	*	*			trans	81.7	156.5	164.4	69.7	0	0	0	0	120.2
184	R	23.3	Very low	26.7	Very low	211 Å²	211	145.3 Å²	145.3	80%	0.796	76%	0.759	S	S	*	*			cis	-170.1	155.9	-36.6	-172.3	167	179.1	134.4	-4.9	108.4
185	I	27.6	Very low	26.7	Very low	163 Å²	163	143.2 Å²	143.2	84%	0.836	76%	0.757	S	S	*	*			trans	-134.9	147.9	-179.3	-62.5	177.2	0	0	0	111.5
186	E	24.6	Very low	26.4	Very low	150 Å²	150	142 Å²	142	70%	0.701	75%	0.752	S	S	*	*			trans	-147.7	163.4	170.4	-146.6	174.2	-110	0	0	112.7
187	N	27.1	Very low	26.3	Very low	137 Å²	137	139 Å²	139	73%	0.733	75%	0.752	S	S	*	*	S	Bend	trans	62.5	47.1	165	-59.9	-43.9	0	0	0	119.5	K189	N187-K189 VanDerWaalsContact C-N 3.34Å; N187-K189 PolarHBondContact O-N 3.24Å
188	G	36.5	Very low	25.9	Very low	86 Å²	86	136.2 Å²	136.2	89%	0.887	76%	0.76	S	S	*	*	S	Bend		72	-0.1	128.7	0	0	0	0	0	120.3
189	K	29.2	Very low	25.5	Very low	200 Å²	200	141.5 Å²	141.5	87%	0.87	78%	0.775	S	S	*	*			trans	-152.7	118.8	174.5	-147.7	174	-170.1	176.2	0	111.9	N187	N187-K189 VanDerWaalsContact C-N 3.34Å; N187-K189 PolarHBondContact O-N 3.24Å
190	L	24.5	Very low	25.1	Very low	169 Å²	169	138.7 Å²	138.7	89%	0.885	77%	0.771	S	S	*	*			trans	-123.3	135.8	165.4	-168	64.8	0	0	0	109.9
191	I	25.1	Very low	24.9	Very low	145 Å²	145	143 Å²	143	74%	0.744	78%	0.775	S	S	*	*			trans	-79.1	125.6	-177.1	-62.7	168.9	0	0	0	108.7	V193	I191-V193 HydrophobicContact CG2-CG2 4.43Å; I191-V193 PolarHBondContact O-N 3.1Å; I191-V193 VanDerWaalsContact O-N 3.15Å
192	V	22.6	Very low	24.8	Very low	127 Å²	127	141 Å²	141	77%	0.77	78%	0.777	S	S	*	*			trans	-74.6	104.4	174.1	-179.2	0	0	0	0	109.1	T194	V192-T194 HydrophobicContact CG1-CG2 3.93Å
193	V	24.3	Very low	24.6	Very low	129 Å²	129	140 Å²	140	78%	0.782	79%	0.787	S	S	*	*			trans	-98.3	110.8	160	-178	0	0	0	0	107.1	I191	I191-V193 HydrophobicContact CG2-CG2 4.43Å; I191-V193 PolarHBondContact O-N 3.1Å; I191-V193 VanDerWaalsContact O-N 3.15Å
194	T	25.5	Very low	24.7	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	79%	0.789	S	S	*	*			trans	-79.8	130.9	176.7	52.5	0	0	0	0	110.8	V192	V192-T194 HydrophobicContact CG1-CG2 3.93Å
195	D	24.8	Very low	24.9	Very low	155 Å²	155	137.3 Å²	137.3	83%	0.829	79%	0.791	S	S	*	*			trans	-149	177	152.2	-138.4	-38.9	0	0	0	112.3
196	S	24.3	Very low	24.8	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	78%	0.782	S	S	*	*			trans	-90	165.3	-149.8	50.9	0	0	0	0	116.7
197	C	22	Very low	25	Very low	136 Å²	136	132.6 Å²	132.6	92%	0.919	78%	0.778	S	S	*	*			trans	-73.2	143.4	-162.3	58.1	0	0	0	0	116.6
198	G	22.9	Very low	25.2	Very low	74 Å²	74	134.2 Å²	134.2	76%	0.763	78%	0.781	S	S	*	*			trans	-128.8	-54.3	-172.1	0	0	0	0	0	120
199	R	22.7	Very low	25	Very low	233 Å²	233	135.9 Å²	135.9	88%	0.879	78%	0.776	S	S	*	*			trans	70.2	155.2	-170.6	-120.6	-161.5	-174.4	176.8	1.3	113.9
200	V	21.9	Very low	24.7	Very low	98 Å²	98	132.8 Å²	132.8	59%	0.594	77%	0.767	S	S	*	*			cis	-141.5	-156.8	-1.1	-133.6	0	0	0	0	108.4
201	E	20.6	Very low	24.7	Very low	153 Å²	153	132.9 Å²	132.9	72%	0.715	76%	0.762	S	S	*	*			cis	-160.8	132.8	8.6	-147	109.6	-134.9	0	0	114
202	S	24.1	Very low	24.6	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	76%	0.756	S	S	*	*			trans	71	163	139.4	76.2	0	0	0	0	126.3
203	S	20.8	Very low	24.8	Very low	130 Å²	130	132.7 Å²	132.7	91%	0.909	76%	0.762	S	S	*	*			trans	82.6	154.6	172.7	77.4	0	0	0	0	119.5
204	G	23.8	Very low	24.8	Very low	71 Å²	71	133.2 Å²	133.2	73%	0.732	76%	0.761	S	S	*	*			trans	162.9	-178.9	175.6	0	0	0	0	0	119.1
205	K	28.7	Very low	24.9	Very low	195 Å²	195	136.7 Å²	136.7	85%	0.848	77%	0.769	S	S	*	*			trans	69.5	150	179.5	-60	-162	178.8	-166	0	116.3
206	I	24.6	Very low	24.9	Very low	126 Å²	126	132.9 Å²	132.9	65%	0.646	77%	0.766	S	S	*	*				-165.3	141.3	60.6	-81.9	173.8	0	0	0	111.7
207	S	28.2	Very low	25.1	Very low	87 Å²	87	133.3 Å²	133.3	61%	0.608	77%	0.769	S	S	*	*			trans	46.6	127.8	149.4	-62	0	0	0	0	122.5
208	E	32	Very low	25.3	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.804	76%	0.761	S	S	*	*				81.7	144.4	72.1	-66.4	162.8	131.4	0	0	113.4
209	P	33.1	Very low	25.6	Very low	120 Å²	120	138.1 Å²	138.1	78%	0.779	77%	0.767	S	S	*	*				-142.8	-172.6	73.9	41.4	-20.7	0	0	0	113.5
210	M	22.6	Very low	25.8	Very low	136 Å²	136	134 Å²	134	67%	0.67	76%	0.758	S	S	*	*			cis	-140.6	149.6	12.5	-58.5	172.8	63.6	0	0	112.6
211	E	23.2	Very low	26.1	Very low	170 Å²	170	140.3 Å²	140.3	79%	0.794	77%	0.771	S	S	*	*			trans	52.3	145.3	131.8	-69.2	168.3	-151.9	0	0	122
212	A	23.5	Very low	26.6	Very low	73 Å²	73	141.8 Å²	141.8	60%	0.603	78%	0.777	S	S	*	*			cis	-161.2	177.9	-7.8	0	0	0	0	0	107.6
213	H	27.7	Very low	27	Very low	196 Å²	196	145 Å²	145	91%	0.907	78%	0.78	S	S	*	*			cis	-136.7	175.1	17.9	-98.9	-82.7	0	0	0	112.8
214	N	24.3	Very low	27.5	Very low	140 Å²	140	143.4 Å²	143.4	75%	0.749	78%	0.775	S	S	*	*			trans	-112.3	133	-173.2	157.1	82.8	0	0	0	112.3
215	E	26.7	Very low	27.9	Very low	193 Å²	193	148.8 Å²	148.8	90%	0.902	78%	0.779	S	S	*	*			trans	-141.2	156.7	140.3	-71.7	-155.3	155.6	0	0	108.4
216	G	24.8	Very low	28.1	Very low	75 Å²	75	145.4 Å²	145.4	77%	0.773	78%	0.777	S	S	*	*			trans	-174.7	167.7	-177.8	0	0	0	0	0	115.4
217	S	28.7	Very low	28.6	Very low	115 Å²	115	148.9 Å²	148.9	80%	0.804	79%	0.787	S	S	*	*			trans	-143.5	109.2	-179.9	57.7	0	0	0	0	112.3
218	N	26.5	Very low	29.1	Very low	142 Å²	142	153.4 Å²	153.4	76%	0.759	80%	0.799	S	S	*	*			trans	-1.4	113.8	152	-166.6	20.4	0	0	0	117.1
219	L	29.4	Very low	29.7	Very low	170 Å²	170	152 Å²	152	89%	0.89	79%	0.79	S	S	*	*			trans	-111.6	116.5	160.6	-179.6	62.7	0	0	0	109
220	E	27.3	Very low	30.4	Very low	147 Å²	147	151.5 Å²	151.5	69%	0.687	78%	0.78	S	S	*	*			trans	-69.5	141.5	-171.1	-67	-163	121.8	0	0	113.6	H222	E220-H222 PolarHBondContact O-N 3.43Å
221	R	28.1	Very low	31.7	Very low	230 Å²	230	149.2 Å²	149.2	87%	0.868	77%	0.767	S	S	*	*			trans	-75.9	83.6	-179.6	-173.9	-175	-171.6	172.6	2.6	110.4	Q223	R221-Q223 PolarHBondContact O-N 2.97Å
222	H	31.5	Very low	33.3	Very low	183 Å²	183	144.4 Å²	144.4	85%	0.847	74%	0.742	S	S	*	*			trans	-54.4	104.5	169.2	-82.8	-51.5	0	0	0	110.6	E220 A224	E220-H222 PolarHBondContact O-N 3.43Å; H222-A224 PolarHBondContact O-N 2.74Å
223	Q	31.9	Very low	34.4	Very low	173 Å²	173	145.9 Å²	145.9	81%	0.808	74%	0.735	S	S	*	*			trans	-69.7	100.6	171.3	-62.1	-174.7	21.2	0	0	108	R221 K225	R221-Q223 PolarHBondContact O-N 2.97Å; Q223-K225 PolarHBondContact O-N 2.86Å
224	A	30.8	Very low	35.6	Very low	97 Å²	97	137 Å²	137	80%	0.802	70%	0.695	S	S	*	*			trans	-60	109.9	173.5	0	0	0	0	0	108.9	H222	H222-A224 PolarHBondContact O-N 2.74Å
225	K	33.1	Very low	36.6	Very low	184 Å²	184	135.3 Å²	135.3	80%	0.8	69%	0.694	S	S	*	*			trans	-52.1	148.2	173.7	-66.6	-179	178.9	179.7	0	109.6	Q223 K227	Q223-K225 PolarHBondContact O-N 2.86Å; K225-K227 PolarHBondContact O-N 2.79Å
226	P	32.3	Very low	37.4	Very low	125 Å²	125	132.5 Å²	132.5	81%	0.812	68%	0.681	S	S	*	*			trans	-54.8	115.7	174	-21.4	32.2	0	0	0	109.1	E228	P226-E228 PolarHBondContact O-N 3.11Å
227	K	35.4	Very low	38.7	Very low	198 Å²	198	134.9 Å²	134.9	86%	0.861	67%	0.666	S	S	*	*			trans	-64.9	119.7	173.6	-68.8	-173.2	178.1	-175.3	0	107.3	K225 K229	K225-K227 PolarHBondContact O-N 2.79Å; K227-K229 PolarHBondContact O-N 3.47Å; K227-K229 VanDerWaalsContact O-N 3.17Å
228	E	38.6	Very low	39.9	Very low	182 Å²	182	134.2 Å²	134.2	85%	0.85	65%	0.651	S	S	*	*			trans	-55	124.6	172.9	-70.1	-170.5	123.4	0	0	108.8	P226 I230	P226-E228 PolarHBondContact O-N 3.11Å; E228-I230 VanDerWaalsContact C-N 3.28Å; E228-I230 PolarHBondContact O-N 2.93Å
229	K	44.8	Very low	41.4	Very low	143 Å²	143	128 Å²	128	62%	0.622	62%	0.617	S	S	*	*			trans	-85.3	77.6	-168.4	-169.7	-176.2	177.2	-166.6	0	109	K227 E231 I242	K227-K229 PolarHBondContact O-N 3.47Å; K227-K229 VanDerWaalsContact O-N 3.17Å; K229-E231 PolarHBondContact O-N 2.89Å; K229-I242 VanDerWaalsContact CE-CG2 3.46Å; K229-I242 HydrophobicContact CG-CG2 4.33Å
230	I	47.5	Very low	43	Very low	110 Å²	110	124.8 Å²	124.8	56%	0.564	59%	0.593	S	S	*	*			trans	-49.6	113.6	179.3	-57.8	175.5	0	0	0	108.8	E228 Y232	E228-I230 VanDerWaalsContact C-N 3.28Å; E228-I230 PolarHBondContact O-N 2.93Å; I230-Y232 HydrophobicContact CB-CE2 4.28Å; I230-Y232 HydrophobicContact CG2-CD1 4.35Å; I230-Y232 HydrophobicContact CG2-CE1 3.79Å; I230-Y232 HydrophobicContact CG2-CE2 3.96Å; I230-Y232 WeakPolarHBondContact O-CE2 3.42Å
231	E	50.2	Low	44.7	Very low	87 Å²	87	117.8 Å²	117.8	41%	0.407	56%	0.56	S	S	.	*			trans	-102.5	112.1	-177	-170.9	175.4	-128	0	0	109.5	K229 R240	K229-E231 PolarHBondContact O-N 2.89Å; E231-R240 HydrophobicContact CG-CB 3.81Å; E231-R240 HydrophobicContact CG-CG 4.11Å; E231-R240 WeakPolarHBondContact OE1-CB 3.34Å; E231-R240 WeakPolarHBondContact OE2-CD 3.38Å; E231-R240 IonicContact OE2-CZ 2.64Å; E231-R240 IonicContact OE2-NE 3.14Å; E231-R240 IonicContact OE2-NH1 3.78Å; E231-R240 PolarHBondContact OE2-NH1 3.32Å
232	Y	56.5	Low	46.1	Very low	70 Å²	70	108.8 Å²	108.8	28%	0.275	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.8	-177.1	-55.7	-87.5	0	0	0	109	I230 R240 F241 H244	I230-Y232 HydrophobicContact CB-CE2 4.28Å; I230-Y232 HydrophobicContact CG2-CD1 4.35Å; I230-Y232 HydrophobicContact CG2-CE1 3.79Å; I230-Y232 HydrophobicContact CG2-CE2 3.96Å; I230-Y232 WeakPolarHBondContact O-CE2 3.42Å; Y232-R240 CarbonylContact O-C 3.58Å; Y232-R240 WeakPolarHBondContact O-CA 3.46Å; Y232-F241 PolarHBondContact N-O 2.78Å; Y232-F241 WeakPolarHBondContact O-CD2 3.41Å; Y232-F241 PolarHBondContact O-N 2.97Å; Y232-H244 HydrophobicContact CD1-CB 4.36Å; Y232-H244 AromaticContact CD1-CD2 3.73Å; Y232-H244 HydrophobicContact CE1-CB 3.93Å; Y232-H244 AromaticContact CE1-CD2 3.75Å; Y232-H244 HydrophobicContact CE2-CB 4.12Å
233	K	47	Very low	47.3	Very low	104 Å²	104	103 Å²	103	45%	0.452	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.9	179.3	-175.5	-174	175.2	-170.9	0	111	E238	K233-E238 VanDerWaalsContact CE-OE1 3.3Å; K233-E238 WeakPolarHBondContact CE-OE1 3.34Å; K233-E238 IonicContact NZ-OE1 2.71Å; K233-E238 PolarHBondContact NZ-OE1 3.48Å
234	C	52.5	Low	47.9	Very low	8 Å²	8	99.6 Å²	99.6	5%	0.054	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-75.7	129.2	164.3	179.9	0	0	0	0	110.6	E238 Q239 F241 L247 H254	C234-E238 VanDerWaalsContact O-CA 3.22Å; C234-E238 WeakPolarHBondContact O-CA 3.3Å; C234-E238 PolarHBondContact O-N 2.9Å; C234-E238 VanDerWaalsContact O-N 3.13Å; C234-Q239 PolarHBondContact N-O 2.87Å; C234-F241 HydrophobicContact CB-CE2 4.03Å; C234-L247 HydrophobicContact CB-CD1 3.86Å; C234-H254 PolarHBondContact SG-CD2 3.44Å
235	S	44.4	Very low	49	Very low	106 Å²	106	101 Å²	101	74%	0.741	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-39.8	177.7	44.8	0	0	0	0	113.6
236	E	44.1	Very low	50	Low	133 Å²	133	92.2 Å²	92.2	62%	0.621	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-24.8	-169.8	-68.6	-177.1	-131.8	0	0	115.3	H254	E236-H254 IonicContact OE2-CG 2.98Å
237	R	52	Low	51.2	Low	125 Å²	125	87.9 Å²	87.9	47%	0.472	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	10.6	-178.8	-58.9	-165.1	-162.6	177.5	11.8	114.5	Q239 T253 H254	R237-Q239 HydrophobicContact CB-CG 4.28Å; R237-Q239 PolarHBondContact O-N 3.2Å; R237-T253 PolarHBondContact NH2-O 2.93Å; R237-H254 WeakPolarHBondContact CD-NE2 3.4Å; R237-H254 PolarHBondContact NE-ND1 3.35Å; R237-H254 PolarHBondContact NE-NE2 2.88Å; R237-H254 PolarHBondContact NH2-CE1 2.96Å; R237-H254 PolarHBondContact NH2-ND1 3.44Å
238	E	54.8	Low	52	Low	102 Å²	102	82.8 Å²	82.8	48%	0.477	39%	0.392	S	S	.	.			trans	52.6	9.5	-176.3	-55.2	-146.5	114.4	0	0	116.5	K233 C234 R240	K233-E238 VanDerWaalsContact CE-OE1 3.3Å; K233-E238 WeakPolarHBondContact CE-OE1 3.34Å; K233-E238 IonicContact NZ-OE1 2.71Å; K233-E238 PolarHBondContact NZ-OE1 3.48Å; C234-E238 VanDerWaalsContact O-CA 3.22Å; C234-E238 WeakPolarHBondContact O-CA 3.3Å; C234-E238 PolarHBondContact O-N 2.9Å; C234-E238 VanDerWaalsContact O-N 3.13Å; E238-R240 PolarHBondContact O-N 3.42Å
239	Q	57.4	Low	52.7	Low	10 Å²	10	79 Å²	79	5%	0.047	38%	0.375	C	S	.	.			trans	-64.3	138.5	179.1	-65.1	-163.9	-1.3	0	0	109.9	C234 R237 F241 H250 N355	C234-Q239 PolarHBondContact N-O 2.87Å; R237-Q239 HydrophobicContact CB-CG 4.28Å; R237-Q239 PolarHBondContact O-N 3.2Å; Q239-F241 HydrophobicContact CB-CE2 3.65Å; Q239-F241 HydrophobicContact CB-CZ 3.55Å; Q239-F241 WeakPolarHBondContact O-CE2 3.45Å; Q239-H250 PolarHBondContact OE1-CE1 2.91Å; Q239-H250 PolarHBondContact OE1-ND1 3.04Å; Q239-N355 PolarHBondContact NE2-OD1 3.41Å
240	R	62.5	Low	53.3	Low	103 Å²	103	72.7 Å²	72.7	39%	0.389	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.4	-177.3	-72.8	163.7	179.9	-128.1	10.8	109.7	E231 Y232 E238 L340	E231-R240 HydrophobicContact CG-CB 3.81Å; E231-R240 HydrophobicContact CG-CG 4.11Å; E231-R240 WeakPolarHBondContact OE1-CB 3.34Å; E231-R240 WeakPolarHBondContact OE2-CD 3.38Å; E231-R240 IonicContact OE2-CZ 2.64Å; E231-R240 IonicContact OE2-NE 3.14Å; E231-R240 IonicContact OE2-NH1 3.78Å; E231-R240 PolarHBondContact OE2-NH1 3.32Å; Y232-R240 CarbonylContact O-C 3.58Å; Y232-R240 WeakPolarHBondContact O-CA 3.46Å; E238-R240 PolarHBondContact O-N 3.42Å; R240-L340 HydrophobicContact CB-CB 4.47Å; R240-L340 HydrophobicContact CB-CD2 4.35Å
241	F	62.4	Low	53.5	Low	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.4	-173.4	-56.1	-87.6	0	0	0	110.9	Y232 C234 Q239 D246 L247 H250 P338 Y339	Y232-F241 PolarHBondContact N-O 2.78Å; Y232-F241 WeakPolarHBondContact O-CD2 3.41Å; Y232-F241 PolarHBondContact O-N 2.97Å; C234-F241 HydrophobicContact CB-CE2 4.03Å; Q239-F241 HydrophobicContact CB-CE2 3.65Å; Q239-F241 HydrophobicContact CB-CZ 3.55Å; Q239-F241 WeakPolarHBondContact O-CE2 3.45Å; F241-D246 HydrophobicContact CB-CB 4.28Å; F241-D246 HydrophobicContact CD1-CB 3.83Å; F241-D246 HydrophobicContact CG-CB 4.42Å; F241-L247 HydrophobicContact CB-CB 4.31Å; F241-L247 HydrophobicContact CD2-CB 4.04Å; F241-L247 HydrophobicContact CD2-CD1 3.78Å; F241-L247 HydrophobicContact CD2-CG 4.48Å; F241-L247 HydrophobicContact CE2-CD1 3.9Å; F241-L247 HydrophobicContact CG-CB 4.2Å; F241-H250 HydrophobicContact CE1-CB 3.66Å; F241-H250 AromaticContact CE1-CG 3.81Å; F241-H250 HydrophobicContact CE2-CB 4.17Å; F241-H250 AromaticContact CE2-CD2 3.4Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.39Å; F241-H250 AromaticContact CE2-CG 3.83Å; F241-H250 AromaticContact CE2-NE2 3.84Å; F241-H250 HydrophobicContact CZ-CB 3.5Å; F241-H250 VanDerWaalsContact CZ-CB 3.5Å; F241-H250 AromaticContact CZ-CD2 3.19Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.42Å; F241-H250 AromaticContact CZ-CE1 3.77Å; F241-H250 AromaticContact CZ-CG 3.16Å; F241-H250 AromaticContact CZ-ND1 3.56Å; F241-H250 AromaticContact CZ-NE2 3.55Å; F241-P338 WeakPolarHBondContact CA-O 3.43Å; F241-Y339 AromaticContact CD1-CD1 3.96Å; F241-Y339 HydrophobicContact CD1-CD1 3.96Å; F241-Y339 HydrophobicContact CD1-CE1 4.08Å; F241-Y339 AromaticContact CE1-CD1 3.53Å; F241-Y339 HydrophobicContact CE1-CD1 3.53Å; F241-Y339 AromaticContact CE1-CE1 3.74Å; F241-Y339 HydrophobicContact CE1-CE1 3.74Å
242	I	58.7	Low	53.4	Low	42 Å²	42	68.7 Å²	68.7	22%	0.215	34%	0.341	C	S	.	.	S	Bend	trans	-91.5	-17.8	-177.2	-60.1	172.1	0	0	0	111.9	K229	K229-I242 VanDerWaalsContact CE-CG2 3.46Å; K229-I242 HydrophobicContact CG-CG2 4.33Å
243	Q	56.9	Low	53.2	Low	62 Å²	62	68.8 Å²	68.8	29%	0.29	35%	0.349	S	S	.	.	S	Bend	trans	-129.6	141.5	176.3	-59.2	-173.2	3	0	0	110.2	L245 D246 L247 E336	Q243-L245 VanDerWaalsContact C-N 3.26Å; Q243-L245 PolarHBondContact O-N 3.04Å; Q243-D246 PolarHBondContact O-N 3.39Å; Q243-D246 VanDerWaalsContact O-N 3.12Å; Q243-L247 PolarHBondContact O-N 2.71Å; Q243-E336 PolarHBondContact NE2-OE1 3.19Å
244	H	43.4	Very low	53.3	Low	101 Å²	101	64.9 Å²	64.9	47%	0.468	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-35.1	180	-170.3	-126.2	0	0	0	112.7	Y232 D246 L247 I248	Y232-H244 HydrophobicContact CD1-CB 4.36Å; Y232-H244 AromaticContact CD1-CD2 3.73Å; Y232-H244 HydrophobicContact CE1-CB 3.93Å; Y232-H244 AromaticContact CE1-CD2 3.75Å; Y232-H244 HydrophobicContact CE2-CB 4.12Å; H244-D246 VanDerWaalsContact C-N 3.32Å; H244-D246 PolarHBondContact O-N 3.41Å; H244-L247 PolarHBondContact O-N 2.93Å; H244-L247 VanDerWaalsContact O-N 3.16Å; H244-I248 WeakPolarHBondContact O-CG1 3.46Å; H244-I248 PolarHBondContact O-N 2.7Å
245	L	53.8	Low	53	Low	125 Å²	125	69.9 Å²	69.9	65%	0.654	36%	0.363	S	S	*	.	H	α-helix	trans	-62.9	-34.7	176.4	-74.3	161.5	0	0	0	113	Q243 I248 E249	Q243-L245 VanDerWaalsContact C-N 3.26Å; Q243-L245 PolarHBondContact O-N 3.04Å; L245-I248 PolarHBondContact O-N 3.03Å; L245-E249 PolarHBondContact O-N 3.4Å
246	D	55.6	Low	52.8	Low	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-70.2	-33.3	174.3	-75.7	-59.2	0	0	0	112.1	F241 Q243 H244 H250 R331 P338 Y339	F241-D246 HydrophobicContact CB-CB 4.28Å; F241-D246 HydrophobicContact CD1-CB 3.83Å; F241-D246 HydrophobicContact CG-CB 4.42Å; Q243-D246 PolarHBondContact O-N 3.39Å; Q243-D246 VanDerWaalsContact O-N 3.12Å; H244-D246 VanDerWaalsContact C-N 3.32Å; H244-D246 PolarHBondContact O-N 3.41Å; D246-H250 VanDerWaalsContact O-CB 3.22Å; D246-H250 WeakPolarHBondContact O-CB 3.38Å; D246-H250 PolarHBondContact O-N 2.95Å; D246-R331 VanDerWaalsContact CG-NH2 3.28Å; D246-R331 IonicContact OD1-CZ 3.76Å; D246-R331 IonicContact OD1-NH1 3.36Å; D246-R331 PolarHBondContact OD1-NH1 3.08Å; D246-R331 IonicContact OD1-NH2 3.91Å; D246-R331 PolarHBondContact OD1-NH2 3.41Å; D246-R331 IonicContact OD2-CZ 2.63Å; D246-R331 IonicContact OD2-NH1 3.55Å; D246-R331 IonicContact OD2-NH2 2.71Å; D246-R331 PolarHBondContact OD2-NH2 3.29Å; D246-P338 HydrophobicContact CB-CB 4.24Å; D246-P338 WeakPolarHBondContact OD2-CB 3.4Å; D246-P338 WeakPolarHBondContact OD2-CG 3.31Å; D246-Y339 PolarHBondContact OD1-OH 2.94Å
247	L	56.3	Low	52.5	Low	33 Å²	33	68.5 Å²	68.5	17%	0.173	36%	0.356	C	S	.	.	H	α-helix	trans	-67.2	-40	171.4	176.1	61.8	0	0	0	111.1	C234 F241 Q243 H244 H250 A251	C234-L247 HydrophobicContact CB-CD1 3.86Å; F241-L247 HydrophobicContact CB-CB 4.31Å; F241-L247 HydrophobicContact CD2-CB 4.04Å; F241-L247 HydrophobicContact CD2-CD1 3.78Å; F241-L247 HydrophobicContact CD2-CG 4.48Å; F241-L247 HydrophobicContact CE2-CD1 3.9Å; F241-L247 HydrophobicContact CG-CB 4.2Å; Q243-L247 PolarHBondContact O-N 2.71Å; H244-L247 PolarHBondContact O-N 2.93Å; H244-L247 VanDerWaalsContact O-N 3.16Å; L247-H250 PolarHBondContact O-N 3.36Å; L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.02Å
248	I	51.7	Low	51.7	Low	91 Å²	91	72.1 Å²	72.1	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-46.3	176.4	-66.5	166.6	0	0	0	110.7	H244 L245 H250 A251 S252	H244-I248 WeakPolarHBondContact O-CG1 3.46Å; H244-I248 PolarHBondContact O-N 2.7Å; L245-I248 PolarHBondContact O-N 3.03Å; I248-H250 VanDerWaalsContact C-N 3.3Å; I248-H250 PolarHBondContact O-N 3.34Å; I248-A251 PolarHBondContact O-N 2.83Å; I248-S252 PolarHBondContact O-N 3.25Å
249	E	54.8	Low	50.6	Low	104 Å²	104	74 Å²	74	49%	0.486	39%	0.388	S	S	.	.	H	α-helix	trans	-58.8	-43.6	173.8	-170.4	-172.4	-159.6	0	0	110.8	L245 S252 Y339	L245-E249 PolarHBondContact O-N 3.4Å; E249-S252 WeakPolarHBondContact O-CB 3.4Å; E249-S252 PolarHBondContact O-N 3.07Å; E249-S252 PolarHBondContact O-OG 3.24Å; E249-Y339 PolarHBondContact OE2-OH 3.4Å
250	H	56.7	Low	49.2	Very low	9 Å²	9	77.7 Å²	77.7	4%	0.042	41%	0.414	C	S	.	.	H	α-helix	trans	-65.9	-41.2	177.7	177.5	73.6	0	0	0	113.8	Q239 F241 D246 L247 I248 S252 T253 H254	Q239-H250 PolarHBondContact OE1-CE1 2.91Å; Q239-H250 PolarHBondContact OE1-ND1 3.04Å; F241-H250 HydrophobicContact CE1-CB 3.66Å; F241-H250 AromaticContact CE1-CG 3.81Å; F241-H250 HydrophobicContact CE2-CB 4.17Å; F241-H250 AromaticContact CE2-CD2 3.4Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.39Å; F241-H250 AromaticContact CE2-CG 3.83Å; F241-H250 AromaticContact CE2-NE2 3.84Å; F241-H250 HydrophobicContact CZ-CB 3.5Å; F241-H250 VanDerWaalsContact CZ-CB 3.5Å; F241-H250 AromaticContact CZ-CD2 3.19Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.42Å; F241-H250 AromaticContact CZ-CE1 3.77Å; F241-H250 AromaticContact CZ-CG 3.16Å; F241-H250 AromaticContact CZ-ND1 3.56Å; F241-H250 AromaticContact CZ-NE2 3.55Å; D246-H250 VanDerWaalsContact O-CB 3.22Å; D246-H250 WeakPolarHBondContact O-CB 3.38Å; D246-H250 PolarHBondContact O-N 2.95Å; L247-H250 PolarHBondContact O-N 3.36Å; I248-H250 VanDerWaalsContact C-N 3.3Å; I248-H250 PolarHBondContact O-N 3.34Å; H250-S252 PolarHBondContact O-N 3.1Å; H250-T253 WeakPolarHBondContact O-CA 3.46Å; H250-T253 VanDerWaalsContact O-CB 3.3Å; H250-T253 WeakPolarHBondContact O-CB 3.42Å; H250-T253 PolarHBondContact O-N 3.35Å; H250-T253 PolarHBondContact O-OG1 2.94Å; H250-H254 AromaticContact CE1-NE2 2.8Å; H250-H254 PolarHBondContact CE1-NE2 2.54Å; H250-H254 AromaticContact ND1-NE2 3.43Å; H250-H254 PolarHBondContact ND1-NE2 3.35Å; H250-H254 AromaticContact NE2-NE2 3.26Å; H250-H254 PolarHBondContact NE2-NE2 3.01Å
251	A	51	Low	47.6	Very low	37 Å²	37	81.8 Å²	81.8	31%	0.306	44%	0.437	S	S	.	.	H	α-helix	trans	-63.4	-28	178.2	0	0	0	0	0	112.2	L247 I248 T253 H254 T255	L247-A251 WeakPolarHBondContact O-CB 3.39Å; L247-A251 PolarHBondContact O-N 3.02Å; I248-A251 PolarHBondContact O-N 2.83Å; A251-T253 PolarHBondContact O-N 3.49Å; A251-H254 PolarHBondContact O-N 3.08Å; A251-H254 VanDerWaalsContact O-N 3.12Å; A251-T255 PolarHBondContact O-N 2.84Å; A251-T255 VanDerWaalsContact O-N 3.14Å; A251-T255 PolarHBondContact O-OG1 3.26Å
252	S	49.7	Very low	46.3	Very low	76 Å²	76	86.7 Å²	86.7	53%	0.531	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.1	169.8	85.1	0	0	0	0	113.4	I248 E249 H250 T255	I248-S252 PolarHBondContact O-N 3.25Å; E249-S252 WeakPolarHBondContact O-CB 3.4Å; E249-S252 PolarHBondContact O-N 3.07Å; E249-S252 PolarHBondContact O-OG 3.24Å; H250-S252 PolarHBondContact O-N 3.1Å; S252-T255 WeakPolarHBondContact CA-OG1 3.27Å
253	T	51.6	Low	45.1	Very low	72 Å²	72	91.6 Å²	91.6	44%	0.442	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.8	176.5	79	0	0	0	0	114.3	R237 H250 A251	R237-T253 PolarHBondContact NH2-O 2.93Å; H250-T253 WeakPolarHBondContact O-CA 3.46Å; H250-T253 VanDerWaalsContact O-CB 3.3Å; H250-T253 WeakPolarHBondContact O-CB 3.42Å; H250-T253 PolarHBondContact O-N 3.35Å; H250-T253 PolarHBondContact O-OG1 2.94Å; A251-T253 PolarHBondContact O-N 3.49Å
254	H	48.9	Very low	44.4	Very low	22 Å²	22	95.1 Å²	95.1	10%	0.102	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-39.9	177.7	-57.7	-6.1	0	0	0	111.8	C234 E236 R237 H250 A251 G256	C234-H254 PolarHBondContact SG-CD2 3.44Å; E236-H254 IonicContact OE2-CG 2.98Å; R237-H254 WeakPolarHBondContact CD-NE2 3.4Å; R237-H254 PolarHBondContact NE-ND1 3.35Å; R237-H254 PolarHBondContact NE-NE2 2.88Å; R237-H254 PolarHBondContact NH2-CE1 2.96Å; R237-H254 PolarHBondContact NH2-ND1 3.44Å; H250-H254 AromaticContact CE1-NE2 2.8Å; H250-H254 PolarHBondContact CE1-NE2 2.54Å; H250-H254 AromaticContact ND1-NE2 3.43Å; H250-H254 PolarHBondContact ND1-NE2 3.35Å; H250-H254 AromaticContact NE2-NE2 3.26Å; H250-H254 PolarHBondContact NE2-NE2 3.01Å; A251-H254 PolarHBondContact O-N 3.08Å; A251-H254 VanDerWaalsContact O-N 3.12Å; H254-G256 PolarHBondContact O-N 3.36Å
255	T	46.3	Very low	43.5	Very low	113 Å²	113	95.9 Å²	95.9	69%	0.693	54%	0.539	S	S	*	.	S	Bend	trans	-62.7	-6.4	172.2	48.8	0	0	0	0	114.1	A251 S252 K257	A251-T255 PolarHBondContact O-N 2.84Å; A251-T255 VanDerWaalsContact O-N 3.14Å; A251-T255 PolarHBondContact O-OG1 3.26Å; S252-T255 WeakPolarHBondContact CA-OG1 3.27Å; T255-K257 PolarHBondContact O-N 3.34Å
256	G	39.1	Very low	42.8	Very low	51 Å²	51	97.3 Å²	97.3	53%	0.526	54%	0.542	S	S	.	.	S	Bend	trans	-68.9	107.6	165.5	0	0	0	0	0	112.4	H254 K258	H254-G256 PolarHBondContact O-N 3.36Å; G256-K258 PolarHBondContact O-N 3.29Å
257	K	38.8	Very low	41.8	Very low	160 Å²	160	101.8 Å²	101.8	70%	0.696	57%	0.573	S	S	*	*			trans	-42.3	129.2	163.5	-70.8	-178.2	176.6	-178.7	0	110.1	T255 L259	T255-K257 PolarHBondContact O-N 3.34Å; K257-L259 PolarHBondContact O-N 3.27Å; K257-L259 VanDerWaalsContact O-N 3.1Å
258	K	35.2	Very low	40.8	Very low	201 Å²	201	104 Å²	104	87%	0.874	59%	0.592	S	S	*	*			trans	-48.1	116.5	-178.8	-72.9	-174.5	175.6	-174.7	0	111.6	G256 C260	G256-K258 PolarHBondContact O-N 3.29Å; K258-C260 PolarHBondContact O-N 3.48Å
259	L	32	Very low	40.2	Very low	141 Å²	141	103 Å²	103	74%	0.738	59%	0.593	S	S	*	*			trans	-85.7	75.8	154.8	-78.6	171.6	0	0	0	108.9	K257	K257-L259 PolarHBondContact O-N 3.27Å; K257-L259 VanDerWaalsContact O-N 3.1Å
260	C	26.8	Very low	39.4	Very low	88 Å²	88	101.8 Å²	101.8	60%	0.595	59%	0.589	S	S	*	*			trans	37.5	113.3	145.8	59.8	0	0	0	0	119.6	K258	K258-C260 PolarHBondContact O-N 3.48Å
261	E	30.8	Very low	38.7	Very low	189 Å²	189	106.7 Å²	106.7	88%	0.883	62%	0.62	S	S	*	*	S	Bend		-81.6	141.2	120.9	-67	173.8	135.8	0	0	107.5
262	S	34.5	Very low	38.2	Very low	102 Å²	102	106.8 Å²	106.8	71%	0.713	62%	0.624	S	S	*	*	S	Bend	trans	36.9	106.3	175.2	58.2	0	0	0	0	118.8
263	D	33.7	Very low	37.8	Very low	146 Å²	146	110.9 Å²	110.9	78%	0.781	64%	0.635	S	S	*	*	S	Bend	trans	72.3	132	143.9	-57.5	-52.8	0	0	0	122.1
264	V	41	Very low	36.9	Very low	135 Å²	135	115.1 Å²	115.1	82%	0.818	65%	0.647	S	S	*	*			trans	50.2	87.4	165.5	-165.7	0	0	0	0	117.7
265	C	25.7	Very low	36.5	Very low	117 Å²	117	118.4 Å²	118.4	79%	0.791	66%	0.661	S	S	*	*			trans	-140.7	112	144.4	-164.8	0	0	0	0	111
266	Q	38.8	Very low	36.5	Very low	156 Å²	156	118.6 Å²	118.6	73%	0.729	66%	0.662	S	S	*	*			trans	-96.9	136.8	178.5	-61	-179.3	3.9	0	0	110.8	L270	Q266-L270 HydrophobicContact CG-CD1 4.44Å
267	S	34.9	Very low	36.7	Very low	94 Å²	94	124.1 Å²	124.1	66%	0.657	68%	0.679	S	S	*	*	S	Bend	trans	166.9	-49.1	143.7	41.3	0	0	0	0	113
268	S	34.6	Very low	36.4	Very low	81 Å²	81	119.9 Å²	119.9	57%	0.566	67%	0.669	S	S	*	*	S	Bend	trans	-114.4	-9	-162.2	62.5	0	0	0	0	118
269	S	38.8	Very low	36.9	Very low	69 Å²	69	122.6 Å²	122.6	48%	0.483	67%	0.674	S	S	.	*	S	Bend	trans	-116.1	-8.5	-176.9	-58.2	0	0	0	0	115	T271 G272	S269-T271 PolarHBondContact O-N 2.83Å; S269-G272 PolarHBondContact O-N 3Å
270	L	39.2	Very low	37.6	Very low	79 Å²	79	122 Å²	122	41%	0.414	67%	0.667	S	S	.	*	H	α-helix	trans	-69.4	-28.5	-173.3	-92.1	158.7	0	0	0	114	Q266 G272 H273 K274	Q266-L270 HydrophobicContact CG-CD1 4.44Å; L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 2.8Å; L270-H273 PolarHBondContact O-N 2.88Å; L270-K274 HydrophobicContact CD2-CD 3.91Å; L270-K274 HydrophobicContact CD2-CG 4.07Å; L270-K274 PolarHBondContact O-N 2.54Å
271	T	41.5	Very low	38.8	Very low	112 Å²	112	127.5 Å²	127.5	69%	0.687	68%	0.681	S	S	*	*	H	α-helix	trans	-63.2	-29.2	-179.2	-20	0	0	0	0	113.1	S269	S269-T271 PolarHBondContact O-N 2.83Å
272	G	41.3	Very low	40	Very low	38 Å²	38	120.7 Å²	120.7	39%	0.392	66%	0.661	S	S	.	*	H	α-helix	trans	-82.4	-36.3	-180	0	0	0	0	0	114	S269 L270	S269-G272 PolarHBondContact O-N 3Å; L270-G272 VanDerWaalsContact C-N 3.25Å; L270-G272 PolarHBondContact O-N 2.8Å
273	H	40.9	Very low	41.9	Very low	163 Å²	163	119.7 Å²	119.7	76%	0.755	65%	0.645	S	S	*	*	H	α-helix	trans	-96.7	-20.6	-170.6	-118.3	-70.7	0	0	0	115.1	L270	L270-H273 PolarHBondContact O-N 2.88Å
274	K	32.1	Very low	44	Very low	160 Å²	160	118.8 Å²	118.8	70%	0.696	64%	0.636	S	S	*	*	S	Bend	trans	-85.5	-13.5	174.9	-77.1	-166.3	173.1	-174.2	0	114.7	L270 V276	L270-K274 HydrophobicContact CD2-CD 3.91Å; L270-K274 HydrophobicContact CD2-CG 4.07Å; L270-K274 PolarHBondContact O-N 2.54Å; K274-V276 PolarHBondContact O-N 2.38Å; K274-V276 VanDerWaalsContact O-N 3.16Å
275	K	41.4	Very low	45.8	Very low	91 Å²	91	112.3 Å²	112.3	40%	0.396	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	24.1	177.1	-86.5	-164.6	166.2	-169.5	0	115.5	E280	K275-E280 WeakPolarHBondContact CE-OE2 3.16Å; K275-E280 IonicContact NZ-OE2 3.77Å; K275-E280 PolarHBondContact NZ-OE2 3.33Å
276	V	46	Very low	48.2	Very low	117 Å²	117	115.9 Å²	115.9	71%	0.709	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-17.5	170.8	-176.3	0	0	0	0	112	K274	K274-V276 PolarHBondContact O-N 2.38Å; K274-V276 VanDerWaalsContact O-N 3.16Å
277	L	43.5	Very low	49.9	Very low	168 Å²	168	113.5 Å²	113.5	88%	0.88	59%	0.591	S	S	*	*	S	Bend	trans	-117.8	25.1	178.4	-69.4	172.6	0	0	0	113.3
278	S	32.8	Very low	51.8	Low	71 Å²	71	111.6 Å²	111.6	50%	0.497	58%	0.577	S	S	.	*	S	Bend	trans	-143.4	125	179.1	-53.6	0	0	0	0	111.5	E280	S278-E280 PolarHBondContact O-N 3.01Å
279	R	43.9	Very low	53.8	Low	258 Å²	258	109.6 Å²	109.6	97%	0.974	57%	0.569	S	S	*	*			trans	-81.4	50.8	-163.2	-157.9	-178.3	-169.9	-177.8	3.7	113.7
280	E	48.1	Very low	55.4	Low	127 Å²	127	112.3 Å²	112.3	59%	0.593	57%	0.572	S	S	*	*			trans	-115.2	93.4	-174	-68.8	-162.1	136.1	0	0	114	K275 S278 G282	K275-E280 WeakPolarHBondContact CE-OE2 3.16Å; K275-E280 IonicContact NZ-OE2 3.77Å; K275-E280 PolarHBondContact NZ-OE2 3.33Å; S278-E280 PolarHBondContact O-N 3.01Å; E280-G282 PolarHBondContact O-N 3.07Å
281	K	51.1	Low	57.3	Low	204 Å²	204	112 Å²	112	89%	0.887	58%	0.581	S	S	*	*			trans	41.3	65.5	155.9	-63.8	-175.2	178.2	179	0	116.7
282	G	57.2	Low	59.1	Low	46 Å²	46	108.8 Å²	108.8	47%	0.474	56%	0.557	S	S	.	*			trans	-71.2	149.4	154.4	0	0	0	0	0	111.1	E280 Q284	E280-G282 PolarHBondContact O-N 3.07Å; G282-Q284 PolarHBondContact O-N 3.4Å
283	H	73.8	Confident	60.8	Low	81 Å²	81	113.4 Å²	113.4	38%	0.375	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.9	99.8	178.7	-65.5	79.5	0	0	0	109.3	F292 L298	H283-F292 HydrophobicContact CB-CB 4.46Å; H283-F292 WeakPolarHBondContact CB-O 3.33Å; H283-F292 PolarHBondContact N-O 3.11Å; H283-F292 PolarHBondContact O-N 3.12Å; H283-L298 HydrophobicContact CB-CB 4.05Å; H283-L298 HydrophobicContact CB-CD2 3.86Å
284	Q	78.2	Confident	62.6	Low	127 Å²	127	113.1 Å²	113.1	59%	0.593	56%	0.561	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.2	136	-173.1	-162.8	175.1	14.9	0	0	112.8	G282 G289	G282-Q284 PolarHBondContact O-N 3.4Å; Q284-G289 WeakPolarHBondContact CG-O 3.37Å; Q284-G289 PolarHBondContact NE2-O 2.89Å
285	C	78.1	Confident	64.9	Low	0 Å²	0	108.7 Å²	108.7	0%	0	55%	0.55	C	S	.	*			trans	-76.6	121.7	167.8	178.6	0	0	0	0	110	E287 G289 K290 F292 L298 H301 H305	C285-E287 VanDerWaalsContact C-N 3.32Å; C285-E287 PolarHBondContact O-N 3.37Å; C285-G289 WeakPolarHBondContact O-CA 3.28Å; C285-G289 PolarHBondContact O-N 3.28Å; C285-K290 PolarHBondContact N-O 3.25Å; C285-F292 HydrophobicContact CB-CE2 4.31Å; C285-L298 HydrophobicContact CB-CD1 3.57Å; C285-H301 PolarHBondContact SG-NE2 2.86Å; C285-H305 PolarHBondContact SG-NE2 3.37Å
286	H	76.2	Confident	66.6	Low	191 Å²	191	107.7 Å²	107.7	88%	0.884	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-36.9	178.8	-164.9	69.4	0	0	0	112.2
287	E	74.4	Confident	68.2	Low	107 Å²	107	105.1 Å²	105.1	50%	0.5	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.9	-170.9	-61.1	161.1	-90.5	0	0	114.6	C285 H305	C285-E287 VanDerWaalsContact C-N 3.32Å; C285-E287 PolarHBondContact O-N 3.37Å; E287-H305 IonicContact OE1-CD2 2.84Å; E287-H305 PolarHBondContact OE1-CD2 3.27Å; E287-H305 IonicContact OE1-CG 2.62Å; E287-H305 WeakPolarHBondContact OE2-CB 3.34Å; E287-H305 IonicContact OE2-CD2 3.46Å; E287-H305 IonicContact OE2-CG 3.9Å
288	C	75.5	Confident	69.9	Low	54 Å²	54	98.1 Å²	98.1	37%	0.365	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	16.1	177	77.1	0	0	0	0	114.9	K290 H301	C288-K290 PolarHBondContact O-N 2.91Å; C288-H301 PolarHBondContact SG-NE2 2.85Å
289	G	74.9	Confident	72.1	Confident	39 Å²	39	98.5 Å²	98.5	40%	0.402	50%	0.498	S	S	.	.			trans	68.5	-5.5	173.8	0	0	0	0	0	116.8	Q284 C285 A291	Q284-G289 WeakPolarHBondContact CG-O 3.37Å; Q284-G289 PolarHBondContact NE2-O 2.89Å; C285-G289 WeakPolarHBondContact O-CA 3.28Å; C285-G289 PolarHBondContact O-N 3.28Å; G289-A291 PolarHBondContact O-N 3.37Å
290	K	72.5	Confident	73.5	Confident	126 Å²	126	91 Å²	91	55%	0.548	47%	0.469	S	S	.	.			trans	-65.9	127.9	-176.2	-70.4	178.1	-173.9	170.9	0	111.9	C285 C288 F292	C285-K290 PolarHBondContact N-O 3.25Å; C288-K290 PolarHBondContact O-N 2.91Å; K290-F292 HydrophobicContact CB-CE2 3.68Å; K290-F292 HydrophobicContact CB-CZ 3.92Å; K290-F292 WeakPolarHBondContact O-CD2 3.33Å; K290-F292 VanDerWaalsContact O-CE2 3.28Å; K290-F292 WeakPolarHBondContact O-CE2 3.37Å
291	A	80.2	Confident	74.9	Confident	72 Å²	72	85.8 Å²	85.8	60%	0.595	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	139	177.1	0	0	0	0	0	112.2	G289	G289-A291 PolarHBondContact O-N 3.37Å
292	F	78.7	Confident	76.1	Confident	44 Å²	44	79.2 Å²	79.2	19%	0.193	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.9	-178.7	-62.2	-89.8	0	0	0	111.4	H283 C285 K290 R294 H297 L298 H301	H283-F292 HydrophobicContact CB-CB 4.46Å; H283-F292 WeakPolarHBondContact CB-O 3.33Å; H283-F292 PolarHBondContact N-O 3.11Å; H283-F292 PolarHBondContact O-N 3.12Å; C285-F292 HydrophobicContact CB-CE2 4.31Å; K290-F292 HydrophobicContact CB-CE2 3.68Å; K290-F292 HydrophobicContact CB-CZ 3.92Å; K290-F292 WeakPolarHBondContact O-CD2 3.33Å; K290-F292 VanDerWaalsContact O-CE2 3.28Å; K290-F292 WeakPolarHBondContact O-CE2 3.37Å; F292-R294 PolarHBondContact O-N 2.84Å; F292-H297 HydrophobicContact CB-CB 4.13Å; F292-H297 HydrophobicContact CD1-CB 3.91Å; F292-H297 HydrophobicContact CG-CB 4.32Å; F292-L298 HydrophobicContact CB-CB 4.23Å; F292-L298 HydrophobicContact CD2-CB 4Å; F292-L298 HydrophobicContact CD2-CD1 3.95Å; F292-L298 HydrophobicContact CE2-CD1 4.2Å; F292-L298 HydrophobicContact CG-CB 4.28Å; F292-H301 HydrophobicContact CE1-CB 4.06Å; F292-H301 HydrophobicContact CE2-CB 4.04Å; F292-H301 AromaticContact CE2-CD2 3.2Å; F292-H301 WeakPolarHBondContact CE2-CD2 3.28Å; F292-H301 AromaticContact CE2-CG 3.76Å; F292-H301 HydrophobicContact CZ-CB 3.59Å; F292-H301 AromaticContact CZ-CD2 3.26Å; F292-H301 WeakPolarHBondContact CZ-CD2 3.48Å; F292-H301 AromaticContact CZ-CG 3.36Å; F292-H301 AromaticContact CZ-NE2 3.99Å
293	Q	77.5	Confident	76.9	Confident	135 Å²	135	80.5 Å²	80.5	63%	0.631	41%	0.41	S	S	*	.	S	Bend	trans	-73.1	-8.1	179	-63.3	-66.7	-8.7	0	0	113.7
294	R	79.3	Confident	76.7	Confident	157 Å²	157	81 Å²	81	59%	0.592	41%	0.414	S	S	*	.	S	Bend	trans	-145	140	-179	-63.3	-178.5	-179.3	170.4	-2.6	110.3	F292 S296 H297 L298	F292-R294 PolarHBondContact O-N 2.84Å; R294-S296 VanDerWaalsContact C-N 3.33Å; R294-S296 PolarHBondContact O-N 2.91Å; R294-H297 HydrophobicContact CB-CB 4.37Å; R294-H297 WeakPolarHBondContact O-CB 3.05Å; R294-H297 PolarHBondContact O-N 3.19Å; R294-H297 VanDerWaalsContact O-N 3.08Å; R294-L298 PolarHBondContact O-N 2.9Å
295	S	78.8	Confident	76.4	Confident	67 Å²	67	78.3 Å²	78.3	47%	0.469	40%	0.402	S	S	.	.	H	α-helix	trans	-54	-46.2	173.7	50.8	0	0	0	0	112.4	H297 L298 V299	S295-H297 PolarHBondContact O-N 3.02Å; S295-L298 WeakPolarHBondContact O-CA 3.2Å; S295-L298 WeakPolarHBondContact O-CB 3.26Å; S295-L298 PolarHBondContact O-N 3.22Å; S295-V299 WeakPolarHBondContact O-CG2 3.18Å; S295-V299 PolarHBondContact O-N 3.24Å
296	S	77.7	Confident	75.8	Confident	71 Å²	71	83.8 Å²	83.8	50%	0.497	43%	0.43	S	S	.	.	H	α-helix	trans	-60.3	-27.3	177.7	59.4	0	0	0	0	113.9	R294 R300	R294-S296 VanDerWaalsContact C-N 3.33Å; R294-S296 PolarHBondContact O-N 2.91Å; S296-R300 VanDerWaalsContact O-CB 3.29Å; S296-R300 WeakPolarHBondContact O-CB 3.49Å; S296-R300 PolarHBondContact O-N 3.48Å
297	H	79.1	Confident	75.3	Confident	62 Å²	62	76.8 Å²	76.8	29%	0.287	41%	0.41	S	S	.	.	H	α-helix	trans	-78	-35.3	174.4	-70.4	-161.5	0	0	0	111.8	F292 R294 S295 R300 H301	F292-H297 HydrophobicContact CB-CB 4.13Å; F292-H297 HydrophobicContact CD1-CB 3.91Å; F292-H297 HydrophobicContact CG-CB 4.32Å; R294-H297 HydrophobicContact CB-CB 4.37Å; R294-H297 WeakPolarHBondContact O-CB 3.05Å; R294-H297 PolarHBondContact O-N 3.19Å; R294-H297 VanDerWaalsContact O-N 3.08Å; S295-H297 PolarHBondContact O-N 3.02Å; H297-R300 PolarHBondContact CD2-NH2 3.22Å; H297-R300 VanDerWaalsContact CD2-NH2 3.29Å; H297-R300 PolarHBondContact NE2-NH2 2.75Å; H297-H301 WeakPolarHBondContact O-CB 3.4Å; H297-H301 PolarHBondContact O-N 3.2Å; H297-H301 VanDerWaalsContact O-N 3.12Å
298	L	79.8	Confident	74.7	Confident	22 Å²	22	75.5 Å²	75.5	12%	0.115	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-50.4	171.4	170.9	59.8	0	0	0	111.1	H283 C285 F292 R294 S295 R300 H301 Q302	H283-L298 HydrophobicContact CB-CB 4.05Å; H283-L298 HydrophobicContact CB-CD2 3.86Å; C285-L298 HydrophobicContact CB-CD1 3.57Å; F292-L298 HydrophobicContact CB-CB 4.23Å; F292-L298 HydrophobicContact CD2-CB 4Å; F292-L298 HydrophobicContact CD2-CD1 3.95Å; F292-L298 HydrophobicContact CE2-CD1 4.2Å; F292-L298 HydrophobicContact CG-CB 4.28Å; R294-L298 PolarHBondContact O-N 2.9Å; S295-L298 WeakPolarHBondContact O-CA 3.2Å; S295-L298 WeakPolarHBondContact O-CB 3.26Å; S295-L298 PolarHBondContact O-N 3.22Å; L298-R300 VanDerWaalsContact C-N 3.35Å; L298-R300 PolarHBondContact O-N 3.28Å; L298-H301 CarbonylContact O-C 3.28Å; L298-H301 WeakPolarHBondContact O-CA 3.2Å; L298-H301 WeakPolarHBondContact O-CB 3.36Å; L298-H301 PolarHBondContact O-N 2.81Å; L298-Q302 HydrophobicContact CD1-CG 3.93Å; L298-Q302 HydrophobicContact CG-CG 4.39Å; L298-Q302 PolarHBondContact O-N 2.9Å
299	V	78.6	Confident	74.3	Confident	79 Å²	79	77.5 Å²	77.5	48%	0.479	41%	0.406	S	S	.	.	H	α-helix	trans	-58.6	-45.4	179.8	173.8	0	0	0	0	111.2	S295 H301 Q302 K303	S295-V299 WeakPolarHBondContact O-CG2 3.18Å; S295-V299 PolarHBondContact O-N 3.24Å; V299-H301 PolarHBondContact O-N 2.68Å; V299-Q302 PolarHBondContact O-N 3.35Å; V299-K303 PolarHBondContact O-N 2.69Å
300	R	74.6	Confident	74.1	Confident	99 Å²	99	79.7 Å²	79.7	37%	0.374	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-27.2	173.9	-178.9	175	59.4	-179.8	-14.2	113.2	S296 H297 L298 Q322	S296-R300 VanDerWaalsContact O-CB 3.29Å; S296-R300 WeakPolarHBondContact O-CB 3.49Å; S296-R300 PolarHBondContact O-N 3.48Å; H297-R300 PolarHBondContact CD2-NH2 3.22Å; H297-R300 VanDerWaalsContact CD2-NH2 3.29Å; H297-R300 PolarHBondContact NE2-NH2 2.75Å; L298-R300 VanDerWaalsContact C-N 3.35Å; L298-R300 PolarHBondContact O-N 3.28Å; R300-Q322 HydrophobicContact CG-CG 4.47Å
301	H	77.2	Confident	74.3	Confident	18 Å²	18	78 Å²	78	8%	0.083	40%	0.404	C	S	.	.	H	α-helix	trans	-80.8	-37.8	175.2	167.7	51.5	0	0	0	112.7	C285 C288 F292 H297 L298 V299 K303 I304 H305	C285-H301 PolarHBondContact SG-NE2 2.86Å; C288-H301 PolarHBondContact SG-NE2 2.85Å; F292-H301 HydrophobicContact CE1-CB 4.06Å; F292-H301 HydrophobicContact CE2-CB 4.04Å; F292-H301 AromaticContact CE2-CD2 3.2Å; F292-H301 WeakPolarHBondContact CE2-CD2 3.28Å; F292-H301 AromaticContact CE2-CG 3.76Å; F292-H301 HydrophobicContact CZ-CB 3.59Å; F292-H301 AromaticContact CZ-CD2 3.26Å; F292-H301 WeakPolarHBondContact CZ-CD2 3.48Å; F292-H301 AromaticContact CZ-CG 3.36Å; F292-H301 AromaticContact CZ-NE2 3.99Å; H297-H301 WeakPolarHBondContact O-CB 3.4Å; H297-H301 PolarHBondContact O-N 3.2Å; H297-H301 VanDerWaalsContact O-N 3.12Å; L298-H301 CarbonylContact O-C 3.28Å; L298-H301 WeakPolarHBondContact O-CA 3.2Å; L298-H301 WeakPolarHBondContact O-CB 3.36Å; L298-H301 PolarHBondContact O-N 2.81Å; V299-H301 PolarHBondContact O-N 2.68Å; H301-K303 VanDerWaalsContact C-N 3.26Å; H301-K303 PolarHBondContact O-N 3.16Å; H301-I304 WeakPolarHBondContact O-CB 3.38Å; H301-I304 WeakPolarHBondContact O-CG1 3.37Å; H301-I304 PolarHBondContact O-N 3.23Å; H301-H305 AromaticContact CE1-CE1 3.69Å; H301-H305 AromaticContact CE1-NE2 3.35Å; H301-H305 PolarHBondContact CE1-NE2 3.14Å; H301-H305 VanDerWaalsContact CE1-NE2 3.35Å; H301-H305 AromaticContact NE2-CE1 3.96Å; H301-H305 AromaticContact NE2-NE2 3.25Å; H301-H305 PolarHBondContact NE2-NE2 3.1Å
302	Q	75.7	Confident	74.1	Confident	66 Å²	66	79.9 Å²	79.9	31%	0.308	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-34.8	176.7	-70.9	172.1	-77.4	0	0	112	L298 V299 I304 H305 L306	L298-Q302 HydrophobicContact CD1-CG 3.93Å; L298-Q302 HydrophobicContact CG-CG 4.39Å; L298-Q302 PolarHBondContact O-N 2.9Å; V299-Q302 PolarHBondContact O-N 3.35Å; Q302-I304 PolarHBondContact O-N 3.02Å; Q302-H305 PolarHBondContact O-N 3.31Å; Q302-L306 PolarHBondContact O-N 3.05Å; Q302-L306 VanDerWaalsContact O-N 3.1Å
303	K	73.6	Confident	74.4	Confident	73 Å²	73	77.8 Å²	77.8	32%	0.317	39%	0.391	S	S	.	.	H	α-helix	trans	-54.9	-21.9	169.6	-69.8	-174.9	-179.6	-70.9	0	114.1	V299 H301 G307 E308	V299-K303 PolarHBondContact O-N 2.69Å; H301-K303 VanDerWaalsContact C-N 3.26Å; H301-K303 PolarHBondContact O-N 3.16Å; K303-G307 PolarHBondContact O-N 3.42Å; K303-E308 HydrophobicContact CB-CB 3.93Å; K303-E308 HydrophobicContact CG-CB 4.15Å; K303-E308 IonicContact NZ-OE1 3.22Å; K303-E308 IonicContact NZ-OE2 2.68Å; K303-E308 PolarHBondContact NZ-OE2 3.23Å; K303-E308 PolarHBondContact O-N 2.87Å
304	I	69.6	Low	74.5	Confident	91 Å²	91	78.7 Å²	78.7	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-72.9	-36.9	174.6	-54.2	177.9	0	0	0	111.2	H301 Q302	H301-I304 WeakPolarHBondContact O-CB 3.38Å; H301-I304 WeakPolarHBondContact O-CG1 3.37Å; H301-I304 PolarHBondContact O-N 3.23Å; Q302-I304 PolarHBondContact O-N 3.02Å
305	H	71.7	Confident	74.7	Confident	72 Å²	72	77.1 Å²	77.1	33%	0.333	40%	0.4	S	S	.	.	H	α-helix	trans	-77.1	-40.8	178.1	-55.2	-54.6	0	0	0	111.7	C285 E287 H301 Q302 G307	C285-H305 PolarHBondContact SG-NE2 3.37Å; E287-H305 IonicContact OE1-CD2 2.84Å; E287-H305 PolarHBondContact OE1-CD2 3.27Å; E287-H305 IonicContact OE1-CG 2.62Å; E287-H305 WeakPolarHBondContact OE2-CB 3.34Å; E287-H305 IonicContact OE2-CD2 3.46Å; E287-H305 IonicContact OE2-CG 3.9Å; H301-H305 AromaticContact CE1-CE1 3.69Å; H301-H305 AromaticContact CE1-NE2 3.35Å; H301-H305 PolarHBondContact CE1-NE2 3.14Å; H301-H305 VanDerWaalsContact CE1-NE2 3.35Å; H301-H305 AromaticContact NE2-CE1 3.96Å; H301-H305 AromaticContact NE2-NE2 3.25Å; H301-H305 PolarHBondContact NE2-NE2 3.1Å; Q302-H305 PolarHBondContact O-N 3.31Å; H305-G307 PolarHBondContact O-N 3.21Å
306	L	67.1	Low	74.9	Confident	114 Å²	114	76.5 Å²	76.5	60%	0.597	40%	0.395	S	S	*	.	S	Bend	trans	-64.7	-4.4	172.4	-61.7	175	0	0	0	113.7	Q302 E308	Q302-L306 PolarHBondContact O-N 3.05Å; Q302-L306 VanDerWaalsContact O-N 3.1Å; L306-E308 HydrophobicContact CB-CG 4.11Å; L306-E308 PolarHBondContact O-N 3.21Å
307	G	64.4	Low	74.8	Confident	44 Å²	44	75.1 Å²	75.1	45%	0.454	39%	0.392	S	S	.	.			trans	71.3	-6.2	-175.5	0	0	0	0	0	114.8	K303 H305 K309	K303-G307 PolarHBondContact O-N 3.42Å; H305-G307 PolarHBondContact O-N 3.21Å; G307-K309 WeakPolarHBondContact O-CG 3.3Å; G307-K309 PolarHBondContact O-N 3.44Å
308	E	62.2	Low	74.7	Confident	80 Å²	80	78.2 Å²	78.2	37%	0.374	41%	0.405	S	S	.	.			trans	-56	99.7	179.3	-76.8	-171.7	-139.6	0	0	112.6	K303 L306 P310	K303-E308 HydrophobicContact CB-CB 3.93Å; K303-E308 HydrophobicContact CG-CB 4.15Å; K303-E308 IonicContact NZ-OE1 3.22Å; K303-E308 IonicContact NZ-OE2 2.68Å; K303-E308 PolarHBondContact NZ-OE2 3.23Å; K303-E308 PolarHBondContact O-N 2.87Å; L306-E308 HydrophobicContact CB-CG 4.11Å; L306-E308 PolarHBondContact O-N 3.21Å; E308-P310 VanDerWaalsContact C-CD 3.46Å; E308-P310 WeakPolarHBondContact O-CD 3.39Å
309	K	66.5	Low	74.5	Confident	97 Å²	97	80 Å²	80	42%	0.422	42%	0.417	S	S	.	.			trans	-122.4	70.6	174.1	-66	168.2	-170	166.4	0	109	G307 Y311 V319 F320	G307-K309 WeakPolarHBondContact O-CG 3.3Å; G307-K309 PolarHBondContact O-N 3.44Å; K309-Y311 PolarHBondContact O-N 3.01Å; K309-V319 HydrophobicContact CB-CB 3.68Å; K309-V319 HydrophobicContact CB-CG2 4.06Å; K309-V319 HydrophobicContact CD-CB 4.13Å; K309-V319 HydrophobicContact CD-CG2 3.61Å; K309-F320 CarbonylContact C-O 3.27Å; K309-F320 VanDerWaalsContact CA-O 3.3Å; K309-F320 WeakPolarHBondContact CA-O 3.45Å
310	P	71.8	Confident	74.5	Confident	84 Å²	84	78.6 Å²	78.6	55%	0.545	40%	0.404	S	S	.	.			trans	-67.6	-5.3	-167.3	27.6	-36.2	0	0	0	114.7	E308	E308-P310 VanDerWaalsContact C-CD 3.46Å; E308-P310 WeakPolarHBondContact O-CD 3.39Å
311	Y	76.8	Confident	74.5	Confident	92 Å²	92	75.8 Å²	75.8	36%	0.361	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	92.6	179.6	-54.1	-73.4	0	0	0	109.8	K309 F320 N323	K309-Y311 PolarHBondContact O-N 3.01Å; Y311-F320 PolarHBondContact N-O 3.4Å; Y311-F320 PolarHBondContact O-N 3.19Å; Y311-N323 HydrophobicContact CD1-CB 3.75Å; Y311-N323 HydrophobicContact CD2-CB 4.49Å; Y311-N323 VanDerWaalsContact CD2-N 3.29Å; Y311-N323 HydrophobicContact CE1-CB 3.62Å; Y311-N323 HydrophobicContact CE2-CB 4.35Å; Y311-N323 HydrophobicContact CG-CB 4.19Å
312	Q	76.3	Confident	74.4	Confident	110 Å²	110	78.9 Å²	78.9	51%	0.514	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142	178.2	-174.7	165.5	-31.7	0	0	112.1	V319 L326	Q312-V319 HydrophobicContact CB-CG1 3.87Å; Q312-V319 HydrophobicContact CG-CG1 3.84Å; Q312-L326 WeakPolarHBondContact O-CD2 3.13Å
313	C	83.5	Confident	74.5	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.418	C	S	.	.			trans	-87.9	114.1	167.4	177.2	0	0	0	0	110.5	E315 C316 G317 K318 F320 L326 H329 H333	C313-E315 PolarHBondContact O-N 3.24Å; C313-C316 PolarHBondContact O-N 2.89Å; C313-G317 WeakPolarHBondContact O-CA 3.09Å; C313-G317 PolarHBondContact O-N 3.37Å; C313-K318 HydrophobicContact CB-CB 4.45Å; C313-K318 WeakPolarHBondContact CB-O 3.35Å; C313-K318 PolarHBondContact N-O 2.89Å; C313-F320 HydrophobicContact CB-CE2 4.43Å; C313-L326 HydrophobicContact CB-CD1 3.67Å; C313-H329 PolarHBondContact SG-NE2 3.05Å; C313-H329 VanDerWaalsContact SG-NE2 3.37Å; C313-H333 PolarHBondContact SG-NE2 3.09Å
314	N	81.3	Confident	74.7	Confident	154 Å²	154	79.1 Å²	79.1	82%	0.824	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.9	-178.5	-62.4	-5.3	0	0	0	113
315	E	81.8	Confident	75.2	Confident	124 Å²	124	75.8 Å²	75.8	58%	0.579	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.5	-178	-63.1	-176.7	-99.9	0	0	114.8	C313 H333	C313-E315 PolarHBondContact O-N 3.24Å; E315-H333 VanDerWaalsContact CD-CB 3.47Å; E315-H333 WeakPolarHBondContact OE1-CB 3.38Å; E315-H333 IonicContact OE1-CD2 3.52Å; E315-H333 PolarHBondContact OE1-CD2 2.92Å; E315-H333 IonicContact OE1-CG 3.6Å; E315-H333 VanDerWaalsContact OE2-CB 3.25Å; E315-H333 WeakPolarHBondContact OE2-CB 3.27Å; E315-H333 IonicContact OE2-CG 3.91Å
316	C	83.9	Confident	75.7	Confident	54 Å²	54	73.3 Å²	73.3	37%	0.365	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.7	13.6	-178.8	72.2	0	0	0	0	116	C313 K318 H329 H333	C313-C316 PolarHBondContact O-N 2.89Å; C316-K318 PolarHBondContact O-N 3.44Å; C316-H329 PolarHBondContact SG-NE2 3.46Å; C316-H333 WeakPolarHBondContact CB-CE1 3.45Å; C316-H333 PolarHBondContact SG-CE1 3.19Å; C316-H333 PolarHBondContact SG-NE2 2.84Å
317	G	75.6	Confident	76.5	Confident	42 Å²	42	72.2 Å²	72.2	43%	0.433	40%	0.402	S	S	.	.			trans	66.3	2.3	178.2	0	0	0	0	0	115.5	C313 V319	C313-G317 WeakPolarHBondContact O-CA 3.09Å; C313-G317 PolarHBondContact O-N 3.37Å; G317-V319 PolarHBondContact O-N 3.15Å
318	K	75.9	Confident	77.5	Confident	127 Å²	127	73.1 Å²	73.1	55%	0.552	40%	0.395	S	S	*	.			trans	-70	126.5	-178.8	-75.6	-172.9	176.2	-176	0	111.1	C313 C316 F320	C313-K318 HydrophobicContact CB-CB 4.45Å; C313-K318 WeakPolarHBondContact CB-O 3.35Å; C313-K318 PolarHBondContact N-O 2.89Å; C316-K318 PolarHBondContact O-N 3.44Å; K318-F320 HydrophobicContact CB-CE2 3.78Å; K318-F320 HydrophobicContact CB-CZ 4.02Å; K318-F320 WeakPolarHBondContact O-CD2 3.42Å; K318-F320 VanDerWaalsContact O-CE2 3.27Å; K318-F320 WeakPolarHBondContact O-CE2 3.36Å
319	V	77.3	Confident	78.6	Confident	61 Å²	61	69.9 Å²	69.9	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.1	-174.7	-75.1	0	0	0	0	111.7	K309 Q312 G317	K309-V319 HydrophobicContact CB-CB 3.68Å; K309-V319 HydrophobicContact CB-CG2 4.06Å; K309-V319 HydrophobicContact CD-CB 4.13Å; K309-V319 HydrophobicContact CD-CG2 3.61Å; Q312-V319 HydrophobicContact CB-CG1 3.87Å; Q312-V319 HydrophobicContact CG-CG1 3.84Å; G317-V319 PolarHBondContact O-N 3.15Å
320	F	78.4	Confident	79.5	Confident	49 Å²	49	67.7 Å²	67.7	22%	0.215	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.3	-173.8	-60.4	-92.1	0	0	0	111.1	K309 Y311 C313 K318 Q322 L326 H329	K309-F320 CarbonylContact C-O 3.27Å; K309-F320 VanDerWaalsContact CA-O 3.3Å; K309-F320 WeakPolarHBondContact CA-O 3.45Å; Y311-F320 PolarHBondContact N-O 3.4Å; Y311-F320 PolarHBondContact O-N 3.19Å; C313-F320 HydrophobicContact CB-CE2 4.43Å; K318-F320 HydrophobicContact CB-CE2 3.78Å; K318-F320 HydrophobicContact CB-CZ 4.02Å; K318-F320 WeakPolarHBondContact O-CD2 3.42Å; K318-F320 VanDerWaalsContact O-CE2 3.27Å; K318-F320 WeakPolarHBondContact O-CE2 3.36Å; F320-Q322 VanDerWaalsContact C-N 3.28Å; F320-Q322 PolarHBondContact O-N 3.18Å; F320-L326 HydrophobicContact CB-CB 4.4Å; F320-L326 HydrophobicContact CD2-CB 4.03Å; F320-L326 HydrophobicContact CD2-CD1 4Å; F320-L326 HydrophobicContact CE2-CD1 4.17Å; F320-L326 HydrophobicContact CG-CB 4.34Å; F320-H329 HydrophobicContact CE1-CB 3.9Å; F320-H329 HydrophobicContact CE2-CB 3.85Å; F320-H329 AromaticContact CE2-CD2 3.39Å; F320-H329 WeakPolarHBondContact CE2-CD2 3.48Å; F320-H329 AromaticContact CE2-CG 3.64Å; F320-H329 HydrophobicContact CZ-CB 3.37Å; F320-H329 AromaticContact CZ-CD2 3.5Å; F320-H329 VanDerWaalsContact CZ-CD2 3.5Å; F320-H329 WeakPolarHBondContact CZ-CD2 3.35Å; F320-H329 AromaticContact CZ-CG 3.25Å; F320-H329 AromaticContact CZ-ND1 3.89Å
321	S	73.6	Confident	80.3	Confident	40 Å²	40	65 Å²	65	28%	0.28	35%	0.351	S	S	.	.	S	Bend	trans	-82.2	-2.3	176.2	57.1	0	0	0	0	114
322	Q	76.3	Confident	80.8	Confident	82 Å²	82	64.8 Å²	64.8	38%	0.383	36%	0.355	S	S	.	.	S	Bend	trans	-148.5	136.2	-178.2	-60.8	-174.3	74	0	0	111	R300 F320 A324 G325 L326	R300-Q322 HydrophobicContact CG-CG 4.47Å; F320-Q322 VanDerWaalsContact C-N 3.28Å; F320-Q322 PolarHBondContact O-N 3.18Å; Q322-A324 VanDerWaalsContact C-N 3.32Å; Q322-A324 PolarHBondContact O-N 3.32Å; Q322-G325 PolarHBondContact O-N 2.87Å; Q322-L326 PolarHBondContact O-N 3.01Å
323	N	76.4	Confident	81.2	Confident	75 Å²	75	62.7 Å²	62.7	40%	0.401	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-40.7	-178.7	-165.8	22.2	0	0	0	112.7	Y311 G325 L326 L327	Y311-N323 HydrophobicContact CD1-CB 3.75Å; Y311-N323 HydrophobicContact CD2-CB 4.49Å; Y311-N323 VanDerWaalsContact CD2-N 3.29Å; Y311-N323 HydrophobicContact CE1-CB 3.62Å; Y311-N323 HydrophobicContact CE2-CB 4.35Å; Y311-N323 HydrophobicContact CG-CB 4.19Å; N323-G325 PolarHBondContact O-N 2.96Å; N323-L326 CarbonylContact O-C 3.49Å; N323-L326 WeakPolarHBondContact O-CA 3.2Å; N323-L326 WeakPolarHBondContact O-CB 3.36Å; N323-L326 PolarHBondContact O-N 3.19Å; N323-L327 WeakPolarHBondContact O-CG 3.5Å; N323-L327 PolarHBondContact O-N 3Å
324	A	77.7	Confident	81.3	Confident	69 Å²	69	66.6 Å²	66.6	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-57	-34.2	175.7	0	0	0	0	0	112.9	Q322 E328	Q322-A324 VanDerWaalsContact C-N 3.32Å; Q322-A324 PolarHBondContact O-N 3.32Å; A324-E328 VanDerWaalsContact O-CB 3.3Å; A324-E328 WeakPolarHBondContact O-CB 3.48Å; A324-E328 PolarHBondContact O-N 3.43Å
325	G	81.4	Confident	81.4	Confident	22 Å²	22	61 Å²	61	23%	0.227	35%	0.349	C	S	.	.	H	α-helix	trans	-71.4	-32	174.5	0	0	0	0	0	113.4	Q322 N323 H329	Q322-G325 PolarHBondContact O-N 2.87Å; N323-G325 PolarHBondContact O-N 2.96Å; G325-H329 WeakPolarHBondContact O-CB 3.47Å; G325-H329 PolarHBondContact O-N 3.32Å; G325-H329 VanDerWaalsContact O-N 3.11Å
326	L	82.7	Confident	81.5	Confident	20 Å²	20	58.1 Å²	58.1	11%	0.105	34%	0.335	C	S	.	.	H	α-helix	trans	-69.6	-48.5	170.5	173.4	60.6	0	0	0	110.9	Q312 C313 F320 Q322 N323 E328 H329 L330	Q312-L326 WeakPolarHBondContact O-CD2 3.13Å; C313-L326 HydrophobicContact CB-CD1 3.67Å; F320-L326 HydrophobicContact CB-CB 4.4Å; F320-L326 HydrophobicContact CD2-CB 4.03Å; F320-L326 HydrophobicContact CD2-CD1 4Å; F320-L326 HydrophobicContact CE2-CD1 4.17Å; F320-L326 HydrophobicContact CG-CB 4.34Å; Q322-L326 PolarHBondContact O-N 3.01Å; N323-L326 CarbonylContact O-C 3.49Å; N323-L326 WeakPolarHBondContact O-CA 3.2Å; N323-L326 WeakPolarHBondContact O-CB 3.36Å; N323-L326 PolarHBondContact O-N 3.19Å; L326-E328 PolarHBondContact O-N 3.01Å; L326-H329 CarbonylContact O-C 3.56Å; L326-H329 WeakPolarHBondContact O-CA 3.25Å; L326-H329 WeakPolarHBondContact O-CB 3.39Å; L326-H329 PolarHBondContact O-N 3.04Å; L326-L330 HydrophobicContact CD1-CD2 4.29Å; L326-L330 HydrophobicContact CD1-CG 4.15Å; L326-L330 HydrophobicContact CG-CD1 4.42Å; L326-L330 HydrophobicContact CG-CG 4.43Å; L326-L330 WeakPolarHBondContact O-CG 3.39Å; L326-L330 PolarHBondContact O-N 3.39Å
327	L	82.5	Confident	81.7	Confident	91 Å²	91	60.5 Å²	60.5	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-59.8	-44.1	178.7	-66.1	173.2	0	0	0	112	N323 H329 L330	N323-L327 WeakPolarHBondContact O-CG 3.5Å; N323-L327 PolarHBondContact O-N 3Å; L327-H329 VanDerWaalsContact C-N 3.26Å; L327-H329 PolarHBondContact O-N 3.31Å; L327-L330 PolarHBondContact O-N 3.41Å
328	E	85.2	Confident	82.1	Confident	63 Å²	63	58.5 Å²	58.5	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-33.9	173.4	-166	-152.8	-136.2	0	0	112.1	A324 L326 R331 R350	A324-E328 VanDerWaalsContact O-CB 3.3Å; A324-E328 WeakPolarHBondContact O-CB 3.48Å; A324-E328 PolarHBondContact O-N 3.43Å; L326-E328 PolarHBondContact O-N 3.01Å; E328-R331 WeakPolarHBondContact O-CB 3.27Å; E328-R350 HydrophobicContact CG-CG 4.48Å; E328-R350 WeakPolarHBondContact OE1-CD 3.4Å; E328-R350 WeakPolarHBondContact OE1-CG 3.27Å; E328-R350 IonicContact OE1-CZ 2.65Å; E328-R350 IonicContact OE1-NE 3.75Å; E328-R350 PolarHBondContact OE1-NE 2.65Å; E328-R350 IonicContact OE1-NH2 3.83Å; E328-R350 IonicContact OE2-CZ 3.74Å; E328-R350 IonicContact OE2-NE 3.16Å; E328-R350 PolarHBondContact OE2-NE 2.8Å; E328-R350 IonicContact OE2-NH2 3.07Å; E328-R350 PolarHBondContact OE2-NH2 3.37Å
329	H	86.6	Confident	82.6	Confident	11 Å²	11	52.7 Å²	52.7	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-73.2	-35.8	175.2	170.8	60.8	0	0	0	113.4	C313 C316 F320 G325 L326 L327 R331 I332 H333	C313-H329 PolarHBondContact SG-NE2 3.05Å; C313-H329 VanDerWaalsContact SG-NE2 3.37Å; C316-H329 PolarHBondContact SG-NE2 3.46Å; F320-H329 HydrophobicContact CE1-CB 3.9Å; F320-H329 HydrophobicContact CE2-CB 3.85Å; F320-H329 AromaticContact CE2-CD2 3.39Å; F320-H329 WeakPolarHBondContact CE2-CD2 3.48Å; F320-H329 AromaticContact CE2-CG 3.64Å; F320-H329 HydrophobicContact CZ-CB 3.37Å; F320-H329 AromaticContact CZ-CD2 3.5Å; F320-H329 VanDerWaalsContact CZ-CD2 3.5Å; F320-H329 WeakPolarHBondContact CZ-CD2 3.35Å; F320-H329 AromaticContact CZ-CG 3.25Å; F320-H329 AromaticContact CZ-ND1 3.89Å; G325-H329 WeakPolarHBondContact O-CB 3.47Å; G325-H329 PolarHBondContact O-N 3.32Å; G325-H329 VanDerWaalsContact O-N 3.11Å; L326-H329 CarbonylContact O-C 3.56Å; L326-H329 WeakPolarHBondContact O-CA 3.25Å; L326-H329 WeakPolarHBondContact O-CB 3.39Å; L326-H329 PolarHBondContact O-N 3.04Å; L327-H329 VanDerWaalsContact C-N 3.26Å; L327-H329 PolarHBondContact O-N 3.31Å; H329-R331 PolarHBondContact O-N 2.75Å; H329-I332 WeakPolarHBondContact ND1-CD1 3.35Å; H329-I332 WeakPolarHBondContact O-CA 3.44Å; H329-I332 WeakPolarHBondContact O-CB 3.4Å; H329-I332 VanDerWaalsContact O-CG1 3.25Å; H329-I332 WeakPolarHBondContact O-CG1 3.37Å; H329-I332 PolarHBondContact O-N 2.96Å; H329-H333 AromaticContact CD2-NE2 3.33Å; H329-H333 PolarHBondContact CD2-NE2 3.19Å; H329-H333 VanDerWaalsContact CD2-NE2 3.33Å; H329-H333 AromaticContact CE1-NE2 3.01Å; H329-H333 PolarHBondContact CE1-NE2 2.62Å; H329-H333 AromaticContact NE2-NE2 2.38Å; H329-H333 PolarHBondContact NE2-NE2 3.3Å
330	L	84.6	Confident	83	Confident	52 Å²	52	51.4 Å²	51.4	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-29.4	177	-70.3	176.1	0	0	0	111.9	L326 L327 I332 H333 T334	L326-L330 HydrophobicContact CD1-CD2 4.29Å; L326-L330 HydrophobicContact CD1-CG 4.15Å; L326-L330 HydrophobicContact CG-CD1 4.42Å; L326-L330 HydrophobicContact CG-CG 4.43Å; L326-L330 WeakPolarHBondContact O-CG 3.39Å; L326-L330 PolarHBondContact O-N 3.39Å; L327-L330 PolarHBondContact O-N 3.41Å; L330-I332 PolarHBondContact O-N 3.14Å; L330-H333 PolarHBondContact O-N 3.33Å; L330-T334 PolarHBondContact O-N 3Å
331	R	88.1	Confident	83.4	Confident	27 Å²	27	49 Å²	49	10%	0.102	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.4	169.5	-57.3	171.7	-174	-166.1	-10.2	113.3	D246 E328 H329 T334 G335 E336 Y339 R349	D246-R331 VanDerWaalsContact CG-NH2 3.28Å; D246-R331 IonicContact OD1-CZ 3.76Å; D246-R331 IonicContact OD1-NH1 3.36Å; D246-R331 PolarHBondContact OD1-NH1 3.08Å; D246-R331 IonicContact OD1-NH2 3.91Å; D246-R331 PolarHBondContact OD1-NH2 3.41Å; D246-R331 IonicContact OD2-CZ 2.63Å; D246-R331 IonicContact OD2-NH1 3.55Å; D246-R331 IonicContact OD2-NH2 2.71Å; D246-R331 PolarHBondContact OD2-NH2 3.29Å; E328-R331 WeakPolarHBondContact O-CB 3.27Å; H329-R331 PolarHBondContact O-N 2.75Å; R331-T334 WeakPolarHBondContact CA-OG1 3.28Å; R331-G335 CarbonylContact O-C 3.58Å; R331-G335 PolarHBondContact O-N 2.86Å; R331-E336 HydrophobicContact CB-CB 4.36Å; R331-E336 HydrophobicContact CG-CB 4.41Å; R331-E336 PolarHBondContact O-N 2.83Å; R331-Y339 PolarHBondContact NH1-OH 3.49Å; R331-R349 VanDerWaalsContact C-NE 3.31Å; R331-R349 HydrophobicContact CB-CG 3.7Å; R331-R349 PolarHBondContact O-NE 3.18Å; R331-R349 PolarHBondContact O-NH2 3.28Å
332	I	87.2	Confident	83.8	Confident	87 Å²	87	51.1 Å²	51.1	45%	0.446	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-43.3	172.5	-59.3	-169.4	0	0	0	111.1	H329 L330 R349	H329-I332 WeakPolarHBondContact ND1-CD1 3.35Å; H329-I332 WeakPolarHBondContact O-CA 3.44Å; H329-I332 WeakPolarHBondContact O-CB 3.4Å; H329-I332 VanDerWaalsContact O-CG1 3.25Å; H329-I332 WeakPolarHBondContact O-CG1 3.37Å; H329-I332 PolarHBondContact O-N 2.96Å; L330-I332 PolarHBondContact O-N 3.14Å; I332-R349 VanDerWaalsContact CA-CZ 3.46Å; I332-R349 PolarHBondContact O-NH2 3.3Å
333	H	85.3	Confident	83.9	Confident	66 Å²	66	52.6 Å²	52.6	31%	0.306	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-45.3	-176.2	-51.8	-64.9	0	0	0	112.3	C313 E315 C316 H329 L330 G335	C313-H333 PolarHBondContact SG-NE2 3.09Å; E315-H333 VanDerWaalsContact CD-CB 3.47Å; E315-H333 WeakPolarHBondContact OE1-CB 3.38Å; E315-H333 IonicContact OE1-CD2 3.52Å; E315-H333 PolarHBondContact OE1-CD2 2.92Å; E315-H333 IonicContact OE1-CG 3.6Å; E315-H333 VanDerWaalsContact OE2-CB 3.25Å; E315-H333 WeakPolarHBondContact OE2-CB 3.27Å; E315-H333 IonicContact OE2-CG 3.91Å; C316-H333 WeakPolarHBondContact CB-CE1 3.45Å; C316-H333 PolarHBondContact SG-CE1 3.19Å; C316-H333 PolarHBondContact SG-NE2 2.84Å; H329-H333 AromaticContact CD2-NE2 3.33Å; H329-H333 PolarHBondContact CD2-NE2 3.19Å; H329-H333 VanDerWaalsContact CD2-NE2 3.33Å; H329-H333 AromaticContact CE1-NE2 3.01Å; H329-H333 PolarHBondContact CE1-NE2 2.62Å; H329-H333 AromaticContact NE2-NE2 2.38Å; H329-H333 PolarHBondContact NE2-NE2 3.3Å; L330-H333 PolarHBondContact O-N 3.33Å; H333-G335 PolarHBondContact O-N 3.18Å
334	T	84.8	Confident	84.3	Confident	82 Å²	82	51.4 Å²	51.4	50%	0.503	29%	0.285	S	S	.	.	S	Bend	trans	-63.8	-10.1	174.3	67.4	0	0	0	0	113.2	L330 R331 E336	L330-T334 PolarHBondContact O-N 3Å; R331-T334 WeakPolarHBondContact CA-OG1 3.28Å; T334-E336 PolarHBondContact O-N 3.42Å; T334-E336 VanDerWaalsContact O-N 3.14Å; T334-E336 WeakPolarHBondContact OG1-CB 3.28Å; T334-E336 VanDerWaalsContact OG1-CG 3.27Å; T334-E336 WeakPolarHBondContact OG1-CG 3.33Å; T334-E336 PolarHBondContact OG1-N 3.49Å; T334-E336 PolarHBondContact OG1-OE2 3.44Å
335	G	84.9	Confident	84.5	Confident	38 Å²	38	50.4 Å²	50.4	39%	0.392	28%	0.281	S	S	.	.			trans	73.3	-3.9	-176.5	0	0	0	0	0	114.1	R331 H333	R331-G335 CarbonylContact O-C 3.58Å; R331-G335 PolarHBondContact O-N 2.86Å; H333-G335 PolarHBondContact O-N 3.18Å
336	E	83.8	Confident	84.6	Confident	62 Å²	62	55.2 Å²	55.2	29%	0.29	30%	0.295	S	S	.	.			trans	-60.2	141.5	-170.7	-75.3	174.7	118.5	0	0	113.6	Q243 R331 T334 R349	Q243-E336 PolarHBondContact NE2-OE1 3.19Å; R331-E336 HydrophobicContact CB-CB 4.36Å; R331-E336 HydrophobicContact CG-CB 4.41Å; R331-E336 PolarHBondContact O-N 2.83Å; T334-E336 PolarHBondContact O-N 3.42Å; T334-E336 VanDerWaalsContact O-N 3.14Å; T334-E336 WeakPolarHBondContact OG1-CB 3.28Å; T334-E336 VanDerWaalsContact OG1-CG 3.27Å; T334-E336 WeakPolarHBondContact OG1-CG 3.33Å; T334-E336 PolarHBondContact OG1-N 3.49Å; T334-E336 PolarHBondContact OG1-OE2 3.44Å; E336-R349 PolarHBondContact O-NE 2.62Å
337	K	87.6	Confident	84.8	Confident	104 Å²	104	57.4 Å²	57.4	45%	0.452	31%	0.307	S	S	.	.			trans	-141	77.1	-178.1	-67.8	166.5	-164.7	167.3	0	108.7	Y339 N347 F348	K337-Y339 PolarHBondContact O-N 2.84Å; K337-N347 HydrophobicContact CB-CB 3.72Å; K337-N347 HydrophobicContact CD-CB 4.36Å; K337-F348 CarbonylContact C-O 3.21Å; K337-F348 WeakPolarHBondContact CA-O 3.25Å; K337-F348 WeakPolarHBondContact CB-O 3.19Å
338	P	84.6	Confident	85	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.293	C	S	.	.			trans	-64.7	-20.2	-169.3	-24.7	35.9	0	0	0	115.8	F241 D246	F241-P338 WeakPolarHBondContact CA-O 3.43Å; D246-P338 HydrophobicContact CB-CB 4.24Å; D246-P338 WeakPolarHBondContact OD2-CB 3.4Å; D246-P338 WeakPolarHBondContact OD2-CG 3.31Å
339	Y	86.4	Confident	85	Confident	5 Å²	5	55.3 Å²	55.3	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	106.5	-165.7	-50.2	-90.1	0	0	0	111.2	F241 D246 E249 R331 K337 F348 R349 R350	F241-Y339 AromaticContact CD1-CD1 3.96Å; F241-Y339 HydrophobicContact CD1-CD1 3.96Å; F241-Y339 HydrophobicContact CD1-CE1 4.08Å; F241-Y339 AromaticContact CE1-CD1 3.53Å; F241-Y339 HydrophobicContact CE1-CD1 3.53Å; F241-Y339 AromaticContact CE1-CE1 3.74Å; F241-Y339 HydrophobicContact CE1-CE1 3.74Å; D246-Y339 PolarHBondContact OD1-OH 2.94Å; E249-Y339 PolarHBondContact OE2-OH 3.4Å; R331-Y339 PolarHBondContact NH1-OH 3.49Å; K337-Y339 PolarHBondContact O-N 2.84Å; Y339-F348 WeakPolarHBondContact CD2-O 3.49Å; Y339-F348 PolarHBondContact N-O 2.86Å; Y339-F348 VanDerWaalsContact N-O 3.09Å; Y339-F348 PolarHBondContact O-N 2.76Å; Y339-R349 WeakPolarHBondContact CE2-O 3.44Å; Y339-R350 VanDerWaalsContact CE2-CA 3.42Å
340	L	85.5	Confident	84.8	Confident	33 Å²	33	59.2 Å²	59.2	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	134.4	-176.6	-178.7	65.7	0	0	0	113.3	R240 G345 N347 L354	R240-L340 HydrophobicContact CB-CB 4.47Å; R240-L340 HydrophobicContact CB-CD2 4.35Å; L340-G345 WeakPolarHBondContact CD1-O 3.37Å; L340-N347 VanDerWaalsContact CD1-ND2 3.3Å; L340-N347 WeakPolarHBondContact CD1-ND2 3.41Å; L340-L354 WeakPolarHBondContact O-CD2 3.37Å
341	C	86.1	Confident	84.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.304	C	S	.	.			trans	-89.8	107	167.7	-174.2	0	0	0	0	111.6	H343 C344 G345 K346 F348 L354 H357 H361	C341-H343 VanDerWaalsContact C-N 3.28Å; C341-H343 PolarHBondContact O-N 3.49Å; C341-C344 PolarHBondContact O-N 3.24Å; C341-G345 PolarHBondContact O-N 3.23Å; C341-K346 HydrophobicContact CB-CB 4.49Å; C341-K346 VanDerWaalsContact CB-O 3.29Å; C341-K346 WeakPolarHBondContact CB-O 3.38Å; C341-K346 PolarHBondContact N-O 3.27Å; C341-F348 HydrophobicContact CB-CE2 4.06Å; C341-L354 HydrophobicContact CB-CD1 3.5Å; C341-L354 VanDerWaalsContact CB-CD1 3.5Å; C341-H357 VanDerWaalsContact SG-CD2 3.56Å; C341-H361 PolarHBondContact SG-NE2 2.89Å
342	I	82.3	Confident	84.4	Confident	83 Å²	83	60.2 Å²	60.2	43%	0.426	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.8	-178.4	61	176.8	0	0	0	113.8	C344	I342-C344 VanDerWaalsContact C-N 3.29Å; I342-C344 PolarHBondContact O-N 3.02Å
343	H	79.1	Confident	84.3	Confident	114 Å²	114	59.1 Å²	59.1	53%	0.528	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.7	-176.9	-55.1	-68.6	0	0	0	114.9	C341 H361	C341-H343 VanDerWaalsContact C-N 3.28Å; C341-H343 PolarHBondContact O-N 3.49Å; H343-H361 HydrophobicContact CB-CB 4.26Å; H343-H361 AromaticContact CD2-CD2 3.96Å
344	C	83.4	Confident	84.3	Confident	50 Å²	50	56 Å²	56	34%	0.338	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.8	13.5	-175.9	67.9	0	0	0	0	116.1	C341 I342 K346 H357 H361	C341-C344 PolarHBondContact O-N 3.24Å; I342-C344 VanDerWaalsContact C-N 3.29Å; I342-C344 PolarHBondContact O-N 3.02Å; C344-K346 PolarHBondContact O-N 3.1Å; C344-H357 PolarHBondContact SG-NE2 3.49Å; C344-H361 VanDerWaalsContact SG-CE1 3.6Å; C344-H361 PolarHBondContact SG-NE2 3.19Å
345	G	83.2	Confident	84.1	Confident	47 Å²	47	55.3 Å²	55.3	49%	0.485	29%	0.293	S	S	.	.			trans	66.7	2	178.7	0	0	0	0	0	115.9	L340 C341 N347	L340-G345 WeakPolarHBondContact CD1-O 3.37Å; C341-G345 PolarHBondContact O-N 3.23Å; G345-N347 PolarHBondContact O-N 2.68Å; G345-N347 PolarHBondContact O-ND2 3.22Å
346	K	83.1	Confident	83.8	Confident	124 Å²	124	58.6 Å²	58.6	54%	0.539	29%	0.293	S	S	.	.			trans	-74.9	125.2	-175.9	-71	177.4	-175	169	0	110.9	C341 C344 F348	C341-K346 HydrophobicContact CB-CB 4.49Å; C341-K346 VanDerWaalsContact CB-O 3.29Å; C341-K346 WeakPolarHBondContact CB-O 3.38Å; C341-K346 PolarHBondContact N-O 3.27Å; C344-K346 PolarHBondContact O-N 3.1Å; K346-F348 HydrophobicContact CB-CE2 3.77Å; K346-F348 HydrophobicContact CB-CZ 4.03Å; K346-F348 WeakPolarHBondContact O-CD2 3.29Å; K346-F348 VanDerWaalsContact O-CE2 3.28Å; K346-F348 WeakPolarHBondContact O-CE2 3.49Å
347	N	87.1	Confident	83.8	Confident	65 Å²	65	56.7 Å²	56.7	35%	0.348	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.7	-179.3	-73.5	-102.1	0	0	0	110.7	K337 L340 G345	K337-N347 HydrophobicContact CB-CB 3.72Å; K337-N347 HydrophobicContact CD-CB 4.36Å; L340-N347 VanDerWaalsContact CD1-ND2 3.3Å; L340-N347 WeakPolarHBondContact CD1-ND2 3.41Å; G345-N347 PolarHBondContact O-N 2.68Å; G345-N347 PolarHBondContact O-ND2 3.22Å
348	F	85.8	Confident	83.3	Confident	43 Å²	43	53.8 Å²	53.8	19%	0.189	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.8	-177.9	-63.9	-89.7	0	0	0	111.8	K337 Y339 C341 K346 H353 L354 H357	K337-F348 CarbonylContact C-O 3.21Å; K337-F348 WeakPolarHBondContact CA-O 3.25Å; K337-F348 WeakPolarHBondContact CB-O 3.19Å; Y339-F348 WeakPolarHBondContact CD2-O 3.49Å; Y339-F348 PolarHBondContact N-O 2.86Å; Y339-F348 VanDerWaalsContact N-O 3.09Å; Y339-F348 PolarHBondContact O-N 2.76Å; C341-F348 HydrophobicContact CB-CE2 4.06Å; K346-F348 HydrophobicContact CB-CE2 3.77Å; K346-F348 HydrophobicContact CB-CZ 4.03Å; K346-F348 WeakPolarHBondContact O-CD2 3.29Å; K346-F348 VanDerWaalsContact O-CE2 3.28Å; K346-F348 WeakPolarHBondContact O-CE2 3.49Å; F348-H353 HydrophobicContact CB-CB 4.28Å; F348-H353 HydrophobicContact CD1-CB 4Å; F348-H353 HydrophobicContact CG-CB 4.45Å; F348-L354 HydrophobicContact CB-CB 4.25Å; F348-L354 HydrophobicContact CD2-CB 4.07Å; F348-L354 HydrophobicContact CD2-CD1 3.94Å; F348-L354 HydrophobicContact CE2-CD1 4.21Å; F348-L354 HydrophobicContact CG-CB 4.29Å; F348-H357 HydrophobicContact CE1-CB 3.96Å; F348-H357 HydrophobicContact CE2-CB 4.04Å; F348-H357 AromaticContact CE2-CD2 3.33Å; F348-H357 WeakPolarHBondContact CE2-CD2 3.4Å; F348-H357 AromaticContact CE2-CG 3.8Å; F348-H357 HydrophobicContact CZ-CB 3.55Å; F348-H357 AromaticContact CZ-CD2 3.28Å; F348-H357 WeakPolarHBondContact CZ-CD2 3.44Å; F348-H357 AromaticContact CZ-CG 3.3Å; F348-H357 AromaticContact CZ-NE2 3.99Å
349	R	84.6	Confident	83	Confident	67 Å²	67	58.6 Å²	58.6	25%	0.253	29%	0.29	S	S	.	.	S	Bend	trans	-83.1	-13.6	179.1	-174.4	167.5	-67.5	149.1	-10.3	114.6	R331 I332 E336 Y339	R331-R349 VanDerWaalsContact C-NE 3.31Å; R331-R349 HydrophobicContact CB-CG 3.7Å; R331-R349 PolarHBondContact O-NE 3.18Å; R331-R349 PolarHBondContact O-NH2 3.28Å; I332-R349 VanDerWaalsContact CA-CZ 3.46Å; I332-R349 PolarHBondContact O-NH2 3.3Å; E336-R349 PolarHBondContact O-NE 2.62Å; Y339-R349 WeakPolarHBondContact CE2-O 3.44Å
350	R	84.4	Confident	82.4	Confident	94 Å²	94	63.7 Å²	63.7	36%	0.355	32%	0.317	S	S	.	.	S	Bend	trans	-141.3	138.5	-176	-66.8	176.8	167.3	164.1	-6	110.1	E328 Y339 S352 H353 L354	E328-R350 HydrophobicContact CG-CG 4.48Å; E328-R350 WeakPolarHBondContact OE1-CD 3.4Å; E328-R350 WeakPolarHBondContact OE1-CG 3.27Å; E328-R350 IonicContact OE1-CZ 2.65Å; E328-R350 IonicContact OE1-NE 3.75Å; E328-R350 PolarHBondContact OE1-NE 2.65Å; E328-R350 IonicContact OE1-NH2 3.83Å; E328-R350 IonicContact OE2-CZ 3.74Å; E328-R350 IonicContact OE2-NE 3.16Å; E328-R350 PolarHBondContact OE2-NE 2.8Å; E328-R350 IonicContact OE2-NH2 3.07Å; E328-R350 PolarHBondContact OE2-NH2 3.37Å; Y339-R350 VanDerWaalsContact CE2-CA 3.42Å; R350-S352 VanDerWaalsContact C-N 3.29Å; R350-S352 PolarHBondContact O-N 3.42Å; R350-H353 HydrophobicContact CB-CB 4.15Å; R350-H353 WeakPolarHBondContact O-CB 3.3Å; R350-H353 PolarHBondContact O-N 3.01Å; R350-L354 PolarHBondContact O-N 3.38Å; R350-L354 VanDerWaalsContact O-N 3.14Å
351	S	81.8	Confident	82	Confident	33 Å²	33	65.4 Å²	65.4	23%	0.231	32%	0.324	C	S	.	.	H	α-helix	trans	-54.2	-44	170.8	54.3	0	0	0	0	112	H353 L354 N355	S351-H353 PolarHBondContact O-N 2.82Å; S351-L354 WeakPolarHBondContact O-CB 3.42Å; S351-L354 PolarHBondContact O-N 3.12Å; S351-L354 VanDerWaalsContact O-N 3.1Å; S351-N355 VanDerWaalsContact O-CG 3.29Å; S351-N355 PolarHBondContact O-N 2.93Å; S351-N355 PolarHBondContact O-OD1 3.29Å
352	S	81.4	Confident	81.2	Confident	67 Å²	67	68.5 Å²	68.5	47%	0.469	35%	0.345	S	S	.	.	H	α-helix	trans	-60.6	-28.7	176.1	61.5	0	0	0	0	113.8	R350 R356	R350-S352 VanDerWaalsContact C-N 3.29Å; R350-S352 PolarHBondContact O-N 3.42Å; S352-R356 VanDerWaalsContact O-CB 3.27Å; S352-R356 WeakPolarHBondContact O-CB 3.46Å; S352-R356 PolarHBondContact O-N 3.25Å
353	H	85.6	Confident	80.2	Confident	63 Å²	63	72.9 Å²	72.9	29%	0.292	36%	0.364	S	S	.	.	H	α-helix	trans	-78.8	-37.2	174.6	-71.1	-164.5	0	0	0	111.6	F348 R350 S351 H357	F348-H353 HydrophobicContact CB-CB 4.28Å; F348-H353 HydrophobicContact CD1-CB 4Å; F348-H353 HydrophobicContact CG-CB 4.45Å; R350-H353 HydrophobicContact CB-CB 4.15Å; R350-H353 WeakPolarHBondContact O-CB 3.3Å; R350-H353 PolarHBondContact O-N 3.01Å; S351-H353 PolarHBondContact O-N 2.82Å; H353-H357 WeakPolarHBondContact O-CB 3.42Å; H353-H357 PolarHBondContact O-N 3.23Å
354	L	84.8	Confident	79.2	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-54.2	172.1	170.8	60	0	0	0	111.2	L340 C341 F348 R350 S351 R356 H357 Q358	L340-L354 WeakPolarHBondContact O-CD2 3.37Å; C341-L354 HydrophobicContact CB-CD1 3.5Å; C341-L354 VanDerWaalsContact CB-CD1 3.5Å; F348-L354 HydrophobicContact CB-CB 4.25Å; F348-L354 HydrophobicContact CD2-CB 4.07Å; F348-L354 HydrophobicContact CD2-CD1 3.94Å; F348-L354 HydrophobicContact CE2-CD1 4.21Å; F348-L354 HydrophobicContact CG-CB 4.29Å; R350-L354 PolarHBondContact O-N 3.38Å; R350-L354 VanDerWaalsContact O-N 3.14Å; S351-L354 WeakPolarHBondContact O-CB 3.42Å; S351-L354 PolarHBondContact O-N 3.12Å; S351-L354 VanDerWaalsContact O-N 3.1Å; L354-R356 PolarHBondContact O-N 3.26Å; L354-H357 CarbonylContact O-C 2.96Å; L354-H357 WeakPolarHBondContact O-CA 3.35Å; L354-H357 WeakPolarHBondContact O-CB 3.47Å; L354-H357 PolarHBondContact O-N 2.8Å; L354-Q358 HydrophobicContact CD1-CG 3.99Å; L354-Q358 HydrophobicContact CG-CG 4.42Å; L354-Q358 PolarHBondContact O-N 2.87Å
355	N	81.1	Confident	78.2	Confident	68 Å²	68	74.5 Å²	74.5	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-57.2	-38.9	-178.5	-64.7	-8.2	0	0	0	111.6	Q239 S351 Q358	Q239-N355 PolarHBondContact NE2-OD1 3.41Å; S351-N355 VanDerWaalsContact O-CG 3.29Å; S351-N355 PolarHBondContact O-N 2.93Å; S351-N355 PolarHBondContact O-OD1 3.29Å; N355-Q358 PolarHBondContact O-N 3.29Å
356	R	78.4	Confident	77.4	Confident	107 Å²	107	76.3 Å²	76.3	40%	0.404	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-35.7	173.7	176.4	172.4	60.5	162.6	-5.4	113	S352 L354 Q378	S352-R356 VanDerWaalsContact O-CB 3.27Å; S352-R356 WeakPolarHBondContact O-CB 3.46Å; S352-R356 PolarHBondContact O-N 3.25Å; L354-R356 PolarHBondContact O-N 3.26Å; R356-Q378 VanDerWaalsContact CD-CD 3.48Å; R356-Q378 VanDerWaalsContact CD-OE1 3.25Å; R356-Q378 HydrophobicContact CG-CG 4.31Å
357	H	83	Confident	76.9	Confident	23 Å²	23	71.6 Å²	71.6	11%	0.106	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-34.5	175.3	172.9	56.2	0	0	0	112.3	C341 C344 F348 H353 L354 R359 I360 H361	C341-H357 VanDerWaalsContact SG-CD2 3.56Å; C344-H357 PolarHBondContact SG-NE2 3.49Å; F348-H357 HydrophobicContact CE1-CB 3.96Å; F348-H357 HydrophobicContact CE2-CB 4.04Å; F348-H357 AromaticContact CE2-CD2 3.33Å; F348-H357 WeakPolarHBondContact CE2-CD2 3.4Å; F348-H357 AromaticContact CE2-CG 3.8Å; F348-H357 HydrophobicContact CZ-CB 3.55Å; F348-H357 AromaticContact CZ-CD2 3.28Å; F348-H357 WeakPolarHBondContact CZ-CD2 3.44Å; F348-H357 AromaticContact CZ-CG 3.3Å; F348-H357 AromaticContact CZ-NE2 3.99Å; H353-H357 WeakPolarHBondContact O-CB 3.42Å; H353-H357 PolarHBondContact O-N 3.23Å; L354-H357 CarbonylContact O-C 2.96Å; L354-H357 WeakPolarHBondContact O-CA 3.35Å; L354-H357 WeakPolarHBondContact O-CB 3.47Å; L354-H357 PolarHBondContact O-N 2.8Å; H357-R359 PolarHBondContact O-N 3.43Å; H357-I360 VanDerWaalsContact O-CB 3.31Å; H357-I360 WeakPolarHBondContact O-CB 3.1Å; H357-I360 WeakPolarHBondContact O-CG1 3.21Å; H357-I360 PolarHBondContact O-N 3.05Å; H357-H361 AromaticContact CD2-NE2 3.82Å; H357-H361 AromaticContact CE1-NE2 3.44Å; H357-H361 PolarHBondContact CE1-NE2 3.02Å; H357-H361 AromaticContact NE2-CE1 3.93Å; H357-H361 AromaticContact NE2-NE2 3.05Å; H357-H361 PolarHBondContact NE2-NE2 3.5Å
358	Q	78.1	Confident	76.5	Confident	43 Å²	43	74 Å²	74	20%	0.201	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-32.9	-179.6	-74.3	-179.5	-82	0	0	113.2	L354 N355 I360 H361 S362	L354-Q358 HydrophobicContact CD1-CG 3.99Å; L354-Q358 HydrophobicContact CG-CG 4.42Å; L354-Q358 PolarHBondContact O-N 2.87Å; N355-Q358 PolarHBondContact O-N 3.29Å; Q358-I360 PolarHBondContact O-N 3.42Å; Q358-I360 VanDerWaalsContact O-N 3.08Å; Q358-H361 PolarHBondContact O-N 2.71Å; Q358-S362 PolarHBondContact O-N 2.95Å; Q358-S362 VanDerWaalsContact O-N 3.15Å; Q358-S362 PolarHBondContact O-OG 3.34Å
359	R	77.8	Confident	76.4	Confident	101 Å²	101	71.9 Å²	71.9	38%	0.381	35%	0.353	S	S	.	.	H	α-helix	trans	-53.4	-28.4	173	-63.7	-177.3	177.6	-166.2	-8.7	114.4	H357 H361 S362 Q363 S377	H357-R359 PolarHBondContact O-N 3.43Å; R359-H361 VanDerWaalsContact C-N 3.26Å; R359-H361 PolarHBondContact O-N 3Å; R359-S362 PolarHBondContact O-N 3.16Å; R359-Q363 PolarHBondContact O-N 3.4Å; R359-S377 WeakPolarHBondContact CD-O 3.3Å; R359-S377 PolarHBondContact NH1-O 3.02Å
360	I	74.8	Confident	76.3	Confident	113 Å²	113	78.2 Å²	78.2	58%	0.579	38%	0.382	S	S	*	.	H	α-helix	trans	-68.6	-28.3	177.7	-55.8	-179.6	0	0	0	111.2	H357 Q358	H357-I360 VanDerWaalsContact O-CB 3.31Å; H357-I360 WeakPolarHBondContact O-CB 3.1Å; H357-I360 WeakPolarHBondContact O-CG1 3.21Å; H357-I360 PolarHBondContact O-N 3.05Å; Q358-I360 PolarHBondContact O-N 3.42Å; Q358-I360 VanDerWaalsContact O-N 3.08Å
361	H	76.9	Confident	76.3	Confident	68 Å²	68	79.2 Å²	79.2	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-87.4	-33.7	175.7	-53.9	-67.4	0	0	0	112	C341 H343 C344 H357 Q358 R359 Q363	C341-H361 PolarHBondContact SG-NE2 2.89Å; H343-H361 HydrophobicContact CB-CB 4.26Å; H343-H361 AromaticContact CD2-CD2 3.96Å; C344-H361 VanDerWaalsContact SG-CE1 3.6Å; C344-H361 PolarHBondContact SG-NE2 3.19Å; H357-H361 AromaticContact CD2-NE2 3.82Å; H357-H361 AromaticContact CE1-NE2 3.44Å; H357-H361 PolarHBondContact CE1-NE2 3.02Å; H357-H361 AromaticContact NE2-CE1 3.93Å; H357-H361 AromaticContact NE2-NE2 3.05Å; H357-H361 PolarHBondContact NE2-NE2 3.5Å; Q358-H361 PolarHBondContact O-N 2.71Å; R359-H361 VanDerWaalsContact C-N 3.26Å; R359-H361 PolarHBondContact O-N 3Å; H361-Q363 VanDerWaalsContact C-N 3.27Å; H361-Q363 PolarHBondContact O-N 3.12Å
362	S	67.6	Low	76.4	Confident	65 Å²	65	79.8 Å²	79.8	46%	0.455	39%	0.394	S	S	.	.	H	α-helix	trans	-72.1	-12.3	180	-54.6	0	0	0	0	115	Q358 R359 E364	Q358-S362 PolarHBondContact O-N 2.95Å; Q358-S362 VanDerWaalsContact O-N 3.15Å; Q358-S362 PolarHBondContact O-OG 3.34Å; R359-S362 PolarHBondContact O-N 3.16Å; S362-E364 PolarHBondContact O-N 3.3Å
363	Q	61.3	Low	76.3	Confident	176 Å²	176	78.8 Å²	78.8	82%	0.822	39%	0.394	S	S	*	.			trans	57.3	-5	-168.5	-63.6	-173.1	-15.6	0	0	116.1	R359 H361 E365	R359-Q363 PolarHBondContact O-N 3.4Å; H361-Q363 VanDerWaalsContact C-N 3.27Å; H361-Q363 PolarHBondContact O-N 3.12Å; Q363-E365 PolarHBondContact O-N 3.23Å
364	E	58.8	Low	76	Confident	127 Å²	127	81.3 Å²	81.3	59%	0.593	40%	0.404	S	S	*	.			trans	-59.6	98.8	167.2	-68.2	178.4	-173.5	0	0	111.5	S362 P366	S362-E364 PolarHBondContact O-N 3.3Å; E364-P366 WeakPolarHBondContact O-CD 3.49Å
365	E	61.8	Low	75.7	Confident	70 Å²	70	84.8 Å²	84.8	33%	0.327	43%	0.426	S	S	.	.			trans	-110.9	83	167.7	-71.9	-143.7	123	0	0	110.3	Q363 C367 T375 F376 S377	Q363-E365 PolarHBondContact O-N 3.23Å; E365-C367 PolarHBondContact O-N 3.35Å; E365-T375 WeakPolarHBondContact OE2-CB 3.46Å; E365-T375 PolarHBondContact OE2-OG1 2.84Å; E365-F376 CarbonylContact C-O 3.59Å; E365-F376 PolarHBondContact OE2-N 3.13Å; E365-S377 WeakPolarHBondContact OE1-CB 3.42Å; E365-S377 PolarHBondContact OE1-N 2.87Å; E365-S377 PolarHBondContact OE1-OG 2.99Å
366	P	66.9	Low	75.4	Confident	86 Å²	86	83.4 Å²	83.4	56%	0.558	42%	0.416	S	S	*	.			trans	-77.5	12.3	-162.9	-13.6	31.5	0	0	0	114.7	E364	E364-P366 WeakPolarHBondContact O-CD 3.49Å
367	C	72.8	Confident	75	Confident	25 Å²	25	78.9 Å²	78.9	17%	0.169	40%	0.401	C	S	.	.			trans	-129.7	82.7	-172	-56.1	0	0	0	0	109.8	E365 F376 L382	E365-C367 PolarHBondContact O-N 3.35Å; C367-F376 HydrophobicContact CB-CB 4.44Å; C367-F376 WeakPolarHBondContact CB-O 3.42Å; C367-F376 PolarHBondContact N-O 2.95Å; C367-F376 PolarHBondContact O-N 2.64Å; C367-L382 HydrophobicContact CB-CB 4.15Å; C367-L382 HydrophobicContact CB-CD2 3.81Å
368	E	79.9	Confident	74.5	Confident	114 Å²	114	80 Å²	80	53%	0.533	41%	0.406	S	S	.	.			trans	-81.3	139.2	177.4	-163.3	-163.6	142.6	0	0	112.6	K370 T375	E368-K370 PolarHBondContact O-N 2.79Å; E368-T375 HydrophobicContact CG-CG2 4.31Å
369	C	83.5	Confident	74.4	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-83.7	100.7	169.2	-165.9	0	0	0	0	111	E371 C372 G373 K374 F376 L382	C369-E371 PolarHBondContact O-N 2.83Å; C369-C372 PolarHBondContact O-N 2.89Å; C369-G373 PolarHBondContact O-N 2.67Å; C369-K374 HydrophobicContact CB-CB 4.5Å; C369-K374 WeakPolarHBondContact CB-O 3.29Å; C369-K374 PolarHBondContact N-O 3.14Å; C369-F376 HydrophobicContact CB-CE2 4.26Å; C369-L382 HydrophobicContact CB-CD1 3.46Å; C369-L382 VanDerWaalsContact CB-CD1 3.46Å
370	K	82.8	Confident	74.5	Confident	200 Å²	200	82.4 Å²	82.4	87%	0.87	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-20.6	178.9	-61.8	-171.1	176.1	-170.7	0	115.3	E368	E368-K370 PolarHBondContact O-N 2.79Å
371	E	83.2	Confident	74.6	Confident	115 Å²	115	80.5 Å²	80.5	54%	0.537	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.2	-178.4	-65.9	165.2	-111	0	0	113.5	C369 H389	C369-E371 PolarHBondContact O-N 2.83Å; E371-H389 WeakPolarHBondContact OE2-CB 3.3Å; E371-H389 IonicContact OE2-CD2 3.37Å; E371-H389 IonicContact OE2-CG 3.22Å
372	C	84.1	Confident	74.8	Confident	45 Å²	45	78.3 Å²	78.3	30%	0.304	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.3	11.8	-179.4	72	0	0	0	0	116.3	C369 K374 H385 H389	C369-C372 PolarHBondContact O-N 2.89Å; C372-K374 PolarHBondContact O-N 2.88Å; C372-K374 VanDerWaalsContact O-N 3.15Å; C372-H385 PolarHBondContact SG-NE2 3.24Å; C372-H389 WeakPolarHBondContact CB-NE2 3.4Å; C372-H389 PolarHBondContact SG-NE2 3.17Å
373	G	79.9	Confident	75.4	Confident	45 Å²	45	78.7 Å²	78.7	46%	0.464	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	7.9	177.8	0	0	0	0	0	115.6	C369 T375	C369-G373 PolarHBondContact O-N 2.67Å; G373-T375 PolarHBondContact O-N 3.45Å
374	K	78.8	Confident	76.3	Confident	117 Å²	117	72.9 Å²	72.9	51%	0.509	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-81.3	119.9	-177.7	-72.6	178	-175	166.6	0	111.2	C369 C372 F376	C369-K374 HydrophobicContact CB-CB 4.5Å; C369-K374 WeakPolarHBondContact CB-O 3.29Å; C369-K374 PolarHBondContact N-O 3.14Å; C372-K374 PolarHBondContact O-N 2.88Å; C372-K374 VanDerWaalsContact O-N 3.15Å; K374-F376 HydrophobicContact CB-CE2 3.9Å; K374-F376 HydrophobicContact CB-CZ 4.14Å; K374-F376 WeakPolarHBondContact O-CD2 3.17Å; K374-F376 VanDerWaalsContact O-CE2 3.27Å; K374-F376 WeakPolarHBondContact O-CE2 3.2Å
375	T	77.4	Confident	77.4	Confident	73 Å²	73	67.7 Å²	67.7	45%	0.448	37%	0.365	S	S	.	.			trans	-78.4	156.2	174.8	58	0	0	0	0	111.9	E365 E368 G373	E365-T375 WeakPolarHBondContact OE2-CB 3.46Å; E365-T375 PolarHBondContact OE2-OG1 2.84Å; E368-T375 HydrophobicContact CG-CG2 4.31Å; G373-T375 PolarHBondContact O-N 3.45Å
376	F	76.2	Confident	78.4	Confident	38 Å²	38	67.4 Å²	67.4	17%	0.167	36%	0.363	C	S	.	.			trans	-145.9	133.3	173.5	-62.4	-87.4	0	0	0	111.3	E365 C367 C369 K374 Q378 L381 L382 H385	E365-F376 CarbonylContact C-O 3.59Å; E365-F376 PolarHBondContact OE2-N 3.13Å; C367-F376 HydrophobicContact CB-CB 4.44Å; C367-F376 WeakPolarHBondContact CB-O 3.42Å; C367-F376 PolarHBondContact N-O 2.95Å; C367-F376 PolarHBondContact O-N 2.64Å; C369-F376 HydrophobicContact CB-CE2 4.26Å; K374-F376 HydrophobicContact CB-CE2 3.9Å; K374-F376 HydrophobicContact CB-CZ 4.14Å; K374-F376 WeakPolarHBondContact O-CD2 3.17Å; K374-F376 VanDerWaalsContact O-CE2 3.27Å; K374-F376 WeakPolarHBondContact O-CE2 3.2Å; F376-Q378 PolarHBondContact O-N 2.99Å; F376-L381 HydrophobicContact CB-CB 4.21Å; F376-L381 HydrophobicContact CD1-CB 3.76Å; F376-L381 HydrophobicContact CG-CB 4.23Å; F376-L382 HydrophobicContact CB-CB 4.28Å; F376-L382 HydrophobicContact CD2-CB 3.87Å; F376-L382 HydrophobicContact CD2-CD1 3.95Å; F376-L382 HydrophobicContact CE2-CD1 4.15Å; F376-L382 HydrophobicContact CG-CB 4.23Å; F376-H385 HydrophobicContact CE1-CB 4.12Å; F376-H385 HydrophobicContact CE2-CB 3.87Å; F376-H385 AromaticContact CE2-CD2 3.36Å; F376-H385 WeakPolarHBondContact CE2-CD2 3.22Å; F376-H385 AromaticContact CE2-CG 3.75Å; F376-H385 HydrophobicContact CZ-CB 3.5Å; F376-H385 AromaticContact CZ-CD2 3.34Å; F376-H385 WeakPolarHBondContact CZ-CD2 3.5Å; F376-H385 AromaticContact CZ-CG 3.33Å
377	S	70.4	Confident	79	Confident	13 Å²	13	67.2 Å²	67.2	9%	0.091	35%	0.351	C	S	.	.	S	Bend	trans	-61.5	-10.9	173.7	49.5	0	0	0	0	115	R359 E365	R359-S377 WeakPolarHBondContact CD-O 3.3Å; R359-S377 PolarHBondContact NH1-O 3.02Å; E365-S377 WeakPolarHBondContact OE1-CB 3.42Å; E365-S377 PolarHBondContact OE1-N 2.87Å; E365-S377 PolarHBondContact OE1-OG 2.99Å
378	Q	71.8	Confident	79.2	Confident	45 Å²	45	70.4 Å²	70.4	21%	0.21	37%	0.366	C	S	.	.	S	Bend	trans	-145.1	129.7	-175.8	-70.8	165.6	85.4	0	0	111.7	R356 F376 L380 L381 L382	R356-Q378 VanDerWaalsContact CD-CD 3.48Å; R356-Q378 VanDerWaalsContact CD-OE1 3.25Å; R356-Q378 HydrophobicContact CG-CG 4.31Å; F376-Q378 PolarHBondContact O-N 2.99Å; Q378-L380 PolarHBondContact O-N 3.03Å; Q378-L381 HydrophobicContact CB-CB 4.38Å; Q378-L381 HydrophobicContact CB-CD1 4.12Å; Q378-L381 HydrophobicContact CB-CG 4.01Å; Q378-L381 WeakPolarHBondContact O-CB 3.22Å; Q378-L381 PolarHBondContact O-N 3.28Å; Q378-L382 PolarHBondContact O-N 3.03Å
379	A	76.7	Confident	79.1	Confident	57 Å²	57	68.3 Å²	68.3	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-54.8	-36.1	174.3	0	0	0	0	0	113.3	L381 L382 T383	A379-L381 VanDerWaalsContact C-N 3.29Å; A379-L381 PolarHBondContact O-N 3.19Å; A379-L382 WeakPolarHBondContact O-CB 3.44Å; A379-L382 PolarHBondContact O-N 3.17Å; A379-T383 PolarHBondContact O-N 2.93Å; A379-T383 PolarHBondContact O-OG1 3.08Å
380	L	78.2	Confident	78.4	Confident	139 Å²	139	71.8 Å²	71.8	73%	0.728	38%	0.38	S	S	*	.	H	α-helix	trans	-63.2	-31.4	176	-69.9	173.7	0	0	0	113.5	Q378 H384	Q378-L380 PolarHBondContact O-N 3.03Å; L380-H384 PolarHBondContact O-N 3.48Å; L380-H384 VanDerWaalsContact O-N 3.1Å
381	L	77.9	Confident	77.6	Confident	73 Å²	73	69.2 Å²	69.2	38%	0.382	37%	0.371	S	S	.	.	H	α-helix	trans	-74.5	-40.2	175.6	-65.2	178.2	0	0	0	110.7	F376 Q378 A379 H384 H385	F376-L381 HydrophobicContact CB-CB 4.21Å; F376-L381 HydrophobicContact CD1-CB 3.76Å; F376-L381 HydrophobicContact CG-CB 4.23Å; Q378-L381 HydrophobicContact CB-CB 4.38Å; Q378-L381 HydrophobicContact CB-CD1 4.12Å; Q378-L381 HydrophobicContact CB-CG 4.01Å; Q378-L381 WeakPolarHBondContact O-CB 3.22Å; Q378-L381 PolarHBondContact O-N 3.28Å; A379-L381 VanDerWaalsContact C-N 3.29Å; A379-L381 PolarHBondContact O-N 3.19Å; L381-H384 PolarHBondContact O-N 3.16Å; L381-H385 WeakPolarHBondContact O-CB 3.19Å; L381-H385 PolarHBondContact O-N 3.42Å
382	L	80.6	Confident	76.7	Confident	22 Å²	22	66.2 Å²	66.2	12%	0.115	36%	0.363	C	S	.	.	H	α-helix	trans	-59.2	-49	170.4	172.3	60.9	0	0	0	111.5	C367 C369 F376 Q378 A379 H384 H385 Q386	C367-L382 HydrophobicContact CB-CB 4.15Å; C367-L382 HydrophobicContact CB-CD2 3.81Å; C369-L382 HydrophobicContact CB-CD1 3.46Å; C369-L382 VanDerWaalsContact CB-CD1 3.46Å; F376-L382 HydrophobicContact CB-CB 4.28Å; F376-L382 HydrophobicContact CD2-CB 3.87Å; F376-L382 HydrophobicContact CD2-CD1 3.95Å; F376-L382 HydrophobicContact CE2-CD1 4.15Å; F376-L382 HydrophobicContact CG-CB 4.23Å; Q378-L382 PolarHBondContact O-N 3.03Å; A379-L382 WeakPolarHBondContact O-CB 3.44Å; A379-L382 PolarHBondContact O-N 3.17Å; L382-H384 VanDerWaalsContact C-N 3.28Å; L382-H384 PolarHBondContact O-N 2.94Å; L382-H385 WeakPolarHBondContact O-CA 3.18Å; L382-H385 WeakPolarHBondContact O-CB 3.21Å; L382-H385 PolarHBondContact O-N 3.46Å; L382-Q386 HydrophobicContact CD1-CG 3.95Å; L382-Q386 HydrophobicContact CG-CG 4.43Å; L382-Q386 WeakPolarHBondContact O-CG 3.4Å; L382-Q386 PolarHBondContact O-N 2.86Å
383	T	80.8	Confident	75.8	Confident	72 Å²	72	69.7 Å²	69.7	44%	0.442	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-35.4	178.6	-53.9	0	0	0	0	112.5	A379	A379-T383 PolarHBondContact O-N 2.93Å; A379-T383 PolarHBondContact O-OG1 3.08Å
384	H	79.8	Confident	75.6	Confident	55 Å²	55	71.3 Å²	71.3	26%	0.255	38%	0.377	S	S	.	.	H	α-helix	trans	-67.9	-46	169.6	168	-125.4	0	0	0	111.3	L380 L381 L382 Q386 R387 L406	L380-H384 PolarHBondContact O-N 3.48Å; L380-H384 VanDerWaalsContact O-N 3.1Å; L381-H384 PolarHBondContact O-N 3.16Å; L382-H384 VanDerWaalsContact C-N 3.28Å; L382-H384 PolarHBondContact O-N 2.94Å; H384-Q386 VanDerWaalsContact C-N 3.32Å; H384-Q386 PolarHBondContact O-N 3.46Å; H384-R387 VanDerWaalsContact O-CB 3.26Å; H384-R387 WeakPolarHBondContact O-CB 3.45Å; H384-R387 PolarHBondContact O-N 3.17Å; H384-L406 VanDerWaalsContact CD2-CG 3.47Å; H384-L406 WeakPolarHBondContact CD2-CG 3.49Å; H384-L406 WeakPolarHBondContact NE2-CD1 3.41Å; H384-L406 WeakPolarHBondContact NE2-CG 3.22Å
385	H	82.4	Confident	75.7	Confident	17 Å²	17	68 Å²	68	8%	0.079	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-40.3	-178.9	-178.3	50.9	0	0	0	113	C372 F376 L381 L382 R387 I388	C372-H385 PolarHBondContact SG-NE2 3.24Å; F376-H385 HydrophobicContact CE1-CB 4.12Å; F376-H385 HydrophobicContact CE2-CB 3.87Å; F376-H385 AromaticContact CE2-CD2 3.36Å; F376-H385 WeakPolarHBondContact CE2-CD2 3.22Å; F376-H385 AromaticContact CE2-CG 3.75Å; F376-H385 HydrophobicContact CZ-CB 3.5Å; F376-H385 AromaticContact CZ-CD2 3.34Å; F376-H385 WeakPolarHBondContact CZ-CD2 3.5Å; F376-H385 AromaticContact CZ-CG 3.33Å; L381-H385 WeakPolarHBondContact O-CB 3.19Å; L381-H385 PolarHBondContact O-N 3.42Å; L382-H385 WeakPolarHBondContact O-CA 3.18Å; L382-H385 WeakPolarHBondContact O-CB 3.21Å; L382-H385 PolarHBondContact O-N 3.46Å; H385-R387 PolarHBondContact O-N 3.15Å; H385-R387 VanDerWaalsContact O-N 3.12Å; H385-I388 VanDerWaalsContact O-CB 3.23Å; H385-I388 WeakPolarHBondContact O-CB 3.45Å; H385-I388 WeakPolarHBondContact O-CG1 3.33Å; H385-I388 PolarHBondContact O-N 3.45Å
386	Q	81.3	Confident	76.1	Confident	64 Å²	64	70 Å²	70	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-19.4	176.2	-71	171.5	-56	0	0	113.6	L382 H384 I388 H389 S390	L382-Q386 HydrophobicContact CD1-CG 3.95Å; L382-Q386 HydrophobicContact CG-CG 4.43Å; L382-Q386 WeakPolarHBondContact O-CG 3.4Å; L382-Q386 PolarHBondContact O-N 2.86Å; H384-Q386 VanDerWaalsContact C-N 3.32Å; H384-Q386 PolarHBondContact O-N 3.46Å; Q386-I388 PolarHBondContact O-N 3.3Å; Q386-H389 PolarHBondContact O-N 3.44Å; Q386-S390 WeakPolarHBondContact O-CB 3.43Å; Q386-S390 PolarHBondContact O-N 2.91Å; Q386-S390 PolarHBondContact O-OG 2.7Å
387	R	79.9	Confident	76.7	Confident	82 Å²	82	68.2 Å²	68.2	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-68.7	-19.6	171.2	-57	-175.2	-175.6	-169.9	-6.1	113.5	H384 H385 S390 H391 S392 S405	H384-R387 VanDerWaalsContact O-CB 3.26Å; H384-R387 WeakPolarHBondContact O-CB 3.45Å; H384-R387 PolarHBondContact O-N 3.17Å; H385-R387 PolarHBondContact O-N 3.15Å; H385-R387 VanDerWaalsContact O-N 3.12Å; R387-S390 WeakPolarHBondContact CA-OG 3.48Å; R387-H391 PolarHBondContact O-N 3.36Å; R387-S392 WeakPolarHBondContact CA-OG 3.34Å; R387-S392 PolarHBondContact O-N 2.91Å; R387-S405 WeakPolarHBondContact CD-O 3.48Å; R387-S405 PolarHBondContact NH1-O 3.01Å
388	I	77.1	Confident	77.5	Confident	92 Å²	92	75 Å²	75	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-73.4	-43.5	176.3	-55.1	-178.7	0	0	0	109.8	H385 Q386	H385-I388 VanDerWaalsContact O-CB 3.23Å; H385-I388 WeakPolarHBondContact O-CB 3.45Å; H385-I388 WeakPolarHBondContact O-CG1 3.33Å; H385-I388 PolarHBondContact O-N 3.45Å; Q386-I388 PolarHBondContact O-N 3.3Å
389	H	77.3	Confident	78.3	Confident	71 Å²	71	78 Å²	78	33%	0.329	41%	0.409	S	S	.	.	H	α-helix	trans	-75.7	-47	179.2	-54.4	-59.6	0	0	0	112.8	E371 C372 Q386 H391	E371-H389 WeakPolarHBondContact OE2-CB 3.3Å; E371-H389 IonicContact OE2-CD2 3.37Å; E371-H389 IonicContact OE2-CG 3.22Å; C372-H389 WeakPolarHBondContact CB-NE2 3.4Å; C372-H389 PolarHBondContact SG-NE2 3.17Å; Q386-H389 PolarHBondContact O-N 3.44Å; H389-H391 PolarHBondContact O-CD2 2.95Å; H389-H391 PolarHBondContact O-N 3.43Å
390	S	70.2	Confident	79	Confident	72 Å²	72	77.7 Å²	77.7	50%	0.503	40%	0.403	S	S	.	.	S	Bend	trans	-69.3	2	177.3	57.4	0	0	0	0	114.3	Q386 R387 S392	Q386-S390 WeakPolarHBondContact O-CB 3.43Å; Q386-S390 PolarHBondContact O-N 2.91Å; Q386-S390 PolarHBondContact O-OG 2.7Å; R387-S390 WeakPolarHBondContact CA-OG 3.48Å; S390-S392 PolarHBondContact O-N 3.25Å; S390-S392 PolarHBondContact OG-OG 3.46Å
391	H	65.9	Low	79.3	Confident	147 Å²	147	73 Å²	73	68%	0.681	39%	0.387	S	S	*	.			trans	49.7	20.2	-174.8	-68.6	-86.6	0	0	0	114.7	R387 H389 K393	R387-H391 PolarHBondContact O-N 3.36Å; H389-H391 PolarHBondContact O-CD2 2.95Å; H389-H391 PolarHBondContact O-N 3.43Å; H391-K393 PolarHBondContact O-N 3.2Å
392	S	63.2	Low	79.6	Confident	51 Å²	51	75.6 Å²	75.6	36%	0.357	40%	0.396	S	S	.	.			trans	-76.5	68	-171	51.8	0	0	0	0	112.3	R387 S390 S394	R387-S392 WeakPolarHBondContact CA-OG 3.34Å; R387-S392 PolarHBondContact O-N 2.91Å; S390-S392 PolarHBondContact O-N 3.25Å; S390-S392 PolarHBondContact OG-OG 3.46Å; S392-S394 PolarHBondContact O-N 2.9Å
393	K	65.8	Low	79.8	Confident	119 Å²	119	76 Å²	76	52%	0.517	40%	0.402	S	S	.	.			trans	-79.1	66.9	178.9	-70.8	170.4	162.3	-170.2	0	111.1	H391 H395 A403 F404	H391-K393 PolarHBondContact O-N 3.2Å; K393-H395 PolarHBondContact O-N 3.42Å; K393-A403 HydrophobicContact CB-CB 3.63Å; K393-A403 HydrophobicContact CD-CB 4.28Å; K393-A403 VanDerWaalsContact CD-O 3.27Å; K393-A403 WeakPolarHBondContact CD-O 3.3Å; K393-A403 WeakPolarHBondContact CE-O 3.49Å; K393-F404 CarbonylContact C-O 3.59Å; K393-F404 VanDerWaalsContact C-O 3.28Å; K393-F404 VanDerWaalsContact CA-O 3.27Å; K393-F404 WeakPolarHBondContact CA-O 3.22Å
394	S	75.2	Confident	80	Confident	79 Å²	79	74.8 Å²	74.8	55%	0.552	39%	0.391	S	S	*	.			trans	-65.2	-5.2	-176.2	53.6	0	0	0	0	115.6	S392 F404	S392-S394 PolarHBondContact O-N 2.9Å; S394-F404 PolarHBondContact N-O 3.17Å
395	H	81.4	Confident	80	Confident	48 Å²	48	73.1 Å²	73.1	22%	0.222	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	93.8	-174.8	-56.4	-62.9	0	0	0	110.3	K393 A403 F404 L406 T407 L410	K393-H395 PolarHBondContact O-N 3.42Å; H395-A403 CarbonylContact O-C 3.57Å; H395-A403 WeakPolarHBondContact O-CA 3.43Å; H395-F404 PolarHBondContact N-O 3.11Å; H395-F404 VanDerWaalsContact N-O 3.17Å; H395-F404 PolarHBondContact O-N 2.9Å; H395-L406 VanDerWaalsContact CD2-C 3.48Å; H395-T407 PolarHBondContact CD2-N 3.48Å; H395-T407 PolarHBondContact CE1-OG1 3.21Å; H395-L410 HydrophobicContact CB-CB 4.19Å; H395-L410 HydrophobicContact CB-CD2 3.84Å
396	Q	85.6	Confident	79.9	Confident	114 Å²	114	74.4 Å²	74.4	53%	0.533	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.8	179	-165	170.3	25.4	0	0	111.9	G401 A403 L410	Q396-G401 WeakPolarHBondContact CG-O 3.41Å; Q396-G401 PolarHBondContact NE2-O 2.83Å; Q396-A403 HydrophobicContact CB-CB 4.26Å; Q396-A403 HydrophobicContact CG-CB 4.26Å; Q396-L410 WeakPolarHBondContact O-CD2 3.22Å
397	C	89.4	Confident	80.1	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	40%	0.399	C	S	.	.			trans	-87	115.5	169.3	-176.2	0	0	0	0	110	E399 C400 G401 K402 F404 L410 H414	C397-E399 PolarHBondContact O-N 3.01Å; C397-C400 PolarHBondContact O-N 3.47Å; C397-G401 WeakPolarHBondContact O-CA 3.47Å; C397-G401 PolarHBondContact O-N 3.16Å; C397-K402 WeakPolarHBondContact CB-O 3.25Å; C397-K402 PolarHBondContact N-O 3.24Å; C397-F404 HydrophobicContact CB-CE2 4.45Å; C397-L410 HydrophobicContact CB-CD1 3.56Å; C397-H414 PolarHBondContact SG-CE1 3.1Å
398	N	87.9	Confident	80.3	Confident	155 Å²	155	74.1 Å²	74.1	83%	0.829	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.6	-178.6	-61.5	-3.8	0	0	0	112.9
399	E	88.5	Confident	80.8	Confident	108 Å²	108	71.1 Å²	71.1	51%	0.505	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-22.6	-174.3	-58	175.7	-95.1	0	0	113.9	C397 H414 H417	C397-E399 PolarHBondContact O-N 3.01Å; E399-H414 IonicContact OE1-CE1 3.4Å; E399-H414 PolarHBondContact OE1-CE1 2.89Å; E399-H414 IonicContact OE1-CG 2.68Å; E399-H414 IonicContact OE1-ND1 3.95Å; E399-H414 PolarHBondContact OE1-ND1 3.04Å; E399-H417 IonicContact OE1-CD2 2.54Å; E399-H417 PolarHBondContact OE1-CD2 3.1Å; E399-H417 IonicContact OE1-CG 3.97Å; E399-H417 WeakPolarHBondContact OE2-CB 3.47Å; E399-H417 IonicContact OE2-CD2 3.34Å; E399-H417 IonicContact OE2-CG 3.98Å
400	C	89.6	Confident	81.3	Confident	52 Å²	52	68.7 Å²	68.7	35%	0.351	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.8	13.1	-178.8	72.6	0	0	0	0	115.4	C397 K402 H413 H417	C397-C400 PolarHBondContact O-N 3.47Å; C400-K402 PolarHBondContact O-N 2.99Å; C400-H413 PolarHBondContact SG-NE2 2.98Å; C400-H417 PolarHBondContact SG-NE2 2.86Å
401	G	84.8	Confident	82.2	Confident	39 Å²	39	69.9 Å²	69.9	40%	0.402	38%	0.381	S	S	.	.			trans	67.9	-4	177.2	0	0	0	0	0	115.9	Q396 C397 A403	Q396-G401 WeakPolarHBondContact CG-O 3.41Å; Q396-G401 PolarHBondContact NE2-O 2.83Å; C397-G401 WeakPolarHBondContact O-CA 3.47Å; C397-G401 PolarHBondContact O-N 3.16Å; G401-A403 PolarHBondContact O-N 3.3Å
402	K	85.2	Confident	83.3	Confident	129 Å²	129	68.9 Å²	68.9	56%	0.561	37%	0.371	S	S	*	.			trans	-69.2	129.3	-177.6	-71.1	178.4	-176.7	171.6	0	111.2	C397 C400 F404	C397-K402 WeakPolarHBondContact CB-O 3.25Å; C397-K402 PolarHBondContact N-O 3.24Å; C400-K402 PolarHBondContact O-N 2.99Å; K402-F404 HydrophobicContact CB-CE2 3.98Å; K402-F404 HydrophobicContact CB-CZ 4.13Å; K402-F404 VanDerWaalsContact O-CE2 3.29Å; K402-F404 WeakPolarHBondContact O-CE2 3.41Å
403	A	84.9	Confident	84.6	Confident	29 Å²	29	67.3 Å²	67.3	24%	0.24	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.4	-175.4	0	0	0	0	0	113.4	K393 H395 Q396 G401	K393-A403 HydrophobicContact CB-CB 3.63Å; K393-A403 HydrophobicContact CD-CB 4.28Å; K393-A403 VanDerWaalsContact CD-O 3.27Å; K393-A403 WeakPolarHBondContact CD-O 3.3Å; K393-A403 WeakPolarHBondContact CE-O 3.49Å; H395-A403 CarbonylContact O-C 3.57Å; H395-A403 WeakPolarHBondContact O-CA 3.43Å; Q396-A403 HydrophobicContact CB-CB 4.26Å; Q396-A403 HydrophobicContact CG-CB 4.26Å; G401-A403 PolarHBondContact O-N 3.3Å
404	F	83.9	Confident	85.7	Confident	47 Å²	47	64.1 Å²	64.1	21%	0.206	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	151.4	-169.4	-58.3	-90.1	0	0	0	111.9	K393 S394 H395 C397 K402 L406 D409 L410 H413	K393-F404 CarbonylContact C-O 3.59Å; K393-F404 VanDerWaalsContact C-O 3.28Å; K393-F404 VanDerWaalsContact CA-O 3.27Å; K393-F404 WeakPolarHBondContact CA-O 3.22Å; S394-F404 PolarHBondContact N-O 3.17Å; H395-F404 PolarHBondContact N-O 3.11Å; H395-F404 VanDerWaalsContact N-O 3.17Å; H395-F404 PolarHBondContact O-N 2.9Å; C397-F404 HydrophobicContact CB-CE2 4.45Å; K402-F404 HydrophobicContact CB-CE2 3.98Å; K402-F404 HydrophobicContact CB-CZ 4.13Å; K402-F404 VanDerWaalsContact O-CE2 3.29Å; K402-F404 WeakPolarHBondContact O-CE2 3.41Å; F404-L406 VanDerWaalsContact C-N 3.34Å; F404-D409 HydrophobicContact CB-CB 4.17Å; F404-D409 HydrophobicContact CD1-CB 3.93Å; F404-D409 HydrophobicContact CG-CB 4.31Å; F404-L410 HydrophobicContact CB-CB 4.45Å; F404-L410 HydrophobicContact CD2-CB 4.03Å; F404-L410 HydrophobicContact CD2-CD1 3.85Å; F404-L410 HydrophobicContact CE2-CD1 4.03Å; F404-L410 HydrophobicContact CG-CB 4.42Å; F404-H413 HydrophobicContact CE1-CB 4.07Å; F404-H413 HydrophobicContact CE2-CB 3.92Å; F404-H413 AromaticContact CE2-CD2 3.36Å; F404-H413 WeakPolarHBondContact CE2-CD2 3.36Å; F404-H413 AromaticContact CE2-CG 3.69Å; F404-H413 HydrophobicContact CZ-CB 3.51Å; F404-H413 AromaticContact CZ-CD2 3.45Å; F404-H413 VanDerWaalsContact CZ-CD2 3.45Å; F404-H413 WeakPolarHBondContact CZ-CD2 3.41Å; F404-H413 AromaticContact CZ-CG 3.3Å; F404-H413 AromaticContact CZ-ND1 3.88Å
405	S	79.9	Confident	86.5	Confident	21 Å²	21	63 Å²	63	15%	0.147	33%	0.329	C	S	.	.	S	Bend	trans	-77.1	-16.4	177.4	50.6	0	0	0	0	114	R387	R387-S405 WeakPolarHBondContact CD-O 3.48Å; R387-S405 PolarHBondContact NH1-O 3.01Å
406	L	81.4	Confident	87	Confident	44 Å²	44	65 Å²	65	23%	0.23	34%	0.34	C	S	.	.	S	Bend	trans	-135.2	142.9	178.5	-68.1	178.1	0	0	0	112.3	H384 H395 F404 S408 D409 L410	H384-L406 VanDerWaalsContact CD2-CG 3.47Å; H384-L406 WeakPolarHBondContact CD2-CG 3.49Å; H384-L406 WeakPolarHBondContact NE2-CD1 3.41Å; H384-L406 WeakPolarHBondContact NE2-CG 3.22Å; H395-L406 VanDerWaalsContact CD2-C 3.48Å; F404-L406 VanDerWaalsContact C-N 3.34Å; L406-S408 WeakPolarHBondContact CB-OG 3.43Å; L406-S408 PolarHBondContact O-N 3.16Å; L406-D409 HydrophobicContact CB-CB 4.44Å; L406-D409 PolarHBondContact O-N 2.85Å; L406-D409 VanDerWaalsContact O-N 3.11Å; L406-L410 PolarHBondContact O-N 3.14Å
407	T	84.4	Confident	87.2	Confident	72 Å²	72	63 Å²	63	44%	0.442	33%	0.331	S	S	.	.	H	α-helix	trans	-57.6	-34.5	169.4	-30.8	0	0	0	0	112.4	H395 D409 L410 I411	H395-T407 PolarHBondContact CD2-N 3.48Å; H395-T407 PolarHBondContact CE1-OG1 3.21Å; T407-D409 VanDerWaalsContact C-N 3.29Å; T407-D409 PolarHBondContact O-N 3.42Å; T407-L410 PolarHBondContact O-N 3.48Å; T407-I411 HydrophobicContact CG2-CD1 4.15Å; T407-I411 VanDerWaalsContact O-CG1 3.27Å; T407-I411 WeakPolarHBondContact O-CG1 3.36Å; T407-I411 PolarHBondContact O-N 2.85Å
408	S	84.6	Confident	87.2	Confident	67 Å²	67	66.8 Å²	66.8	47%	0.469	35%	0.354	S	S	.	.	H	α-helix	trans	-64.7	-33	177.1	54.4	0	0	0	0	113.1	L406 R412	L406-S408 WeakPolarHBondContact CB-OG 3.43Å; L406-S408 PolarHBondContact O-N 3.16Å; S408-R412 WeakPolarHBondContact O-CB 3.45Å; S408-R412 PolarHBondContact O-N 3.08Å
409	D	87.3	Confident	87.3	Confident	29 Å²	29	61 Å²	61	16%	0.155	33%	0.331	C	S	.	.	H	α-helix	trans	-77.8	-35	177.7	-66.2	-34.6	0	0	0	111.2	F404 L406 T407 R412 H413	F404-D409 HydrophobicContact CB-CB 4.17Å; F404-D409 HydrophobicContact CD1-CB 3.93Å; F404-D409 HydrophobicContact CG-CB 4.31Å; L406-D409 HydrophobicContact CB-CB 4.44Å; L406-D409 PolarHBondContact O-N 2.85Å; L406-D409 VanDerWaalsContact O-N 3.11Å; T407-D409 VanDerWaalsContact C-N 3.29Å; T407-D409 PolarHBondContact O-N 3.42Å; D409-R412 PolarHBondContact O-N 3.12Å; D409-R412 IonicContact OD1-CZ 3.51Å; D409-R412 IonicContact OD1-NE 2.71Å; D409-R412 IonicContact OD1-NH1 3.64Å; D409-R412 PolarHBondContact OD1-NH1 3.11Å; D409-R412 IonicContact OD1-NH2 3.33Å; D409-R412 PolarHBondContact OD1-NH2 3.22Å; D409-H413 VanDerWaalsContact O-CB 3.28Å; D409-H413 WeakPolarHBondContact O-CB 3.42Å; D409-H413 PolarHBondContact O-N 3.18Å
410	L	88.8	Confident	87.4	Confident	20 Å²	20	60.1 Å²	60.1	11%	0.105	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-50.2	170.2	176.8	60.5	0	0	0	111.9	H395 Q396 C397 F404 L406 T407 R412 H413 H414	H395-L410 HydrophobicContact CB-CB 4.19Å; H395-L410 HydrophobicContact CB-CD2 3.84Å; Q396-L410 WeakPolarHBondContact O-CD2 3.22Å; C397-L410 HydrophobicContact CB-CD1 3.56Å; F404-L410 HydrophobicContact CB-CB 4.45Å; F404-L410 HydrophobicContact CD2-CB 4.03Å; F404-L410 HydrophobicContact CD2-CD1 3.85Å; F404-L410 HydrophobicContact CE2-CD1 4.03Å; F404-L410 HydrophobicContact CG-CB 4.42Å; L406-L410 PolarHBondContact O-N 3.14Å; T407-L410 PolarHBondContact O-N 3.48Å; L410-R412 VanDerWaalsContact C-N 3.29Å; L410-R412 PolarHBondContact O-N 3.3Å; L410-H413 CarbonylContact O-C 3.54Å; L410-H413 WeakPolarHBondContact O-CA 3.34Å; L410-H413 WeakPolarHBondContact O-CB 3.32Å; L410-H413 PolarHBondContact O-N 3.41Å; L410-H414 WeakPolarHBondContact CD1-NE2 3.3Å; L410-H414 PolarHBondContact O-CD2 3.46Å; L410-H414 VanDerWaalsContact O-CD2 3.24Å; L410-H414 PolarHBondContact O-N 3.48Å
411	I	88.4	Confident	87.6	Confident	98 Å²	98	62.8 Å²	62.8	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-42.7	176.1	-68.3	162.7	0	0	0	110.7	T407 H413 H414	T407-I411 HydrophobicContact CG2-CD1 4.15Å; T407-I411 VanDerWaalsContact O-CG1 3.27Å; T407-I411 WeakPolarHBondContact O-CG1 3.36Å; T407-I411 PolarHBondContact O-N 2.85Å; I411-H413 PolarHBondContact O-N 3Å; I411-H414 PolarHBondContact O-N 3.36Å
412	R	88.9	Confident	87.9	Confident	126 Å²	126	64.2 Å²	64.2	48%	0.475	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-31.5	174.5	-176	176.4	68.5	-161	-2.9	112.5	S408 D409 L410 L434	S408-R412 WeakPolarHBondContact O-CB 3.45Å; S408-R412 PolarHBondContact O-N 3.08Å; D409-R412 PolarHBondContact O-N 3.12Å; D409-R412 IonicContact OD1-CZ 3.51Å; D409-R412 IonicContact OD1-NE 2.71Å; D409-R412 IonicContact OD1-NH1 3.64Å; D409-R412 PolarHBondContact OD1-NH1 3.11Å; D409-R412 IonicContact OD1-NH2 3.33Å; D409-R412 PolarHBondContact OD1-NH2 3.22Å; L410-R412 VanDerWaalsContact C-N 3.29Å; L410-R412 PolarHBondContact O-N 3.3Å; R412-L434 VanDerWaalsContact CD-CD2 3.5Å; R412-L434 HydrophobicContact CG-CD2 3.39Å
413	H	91	Very high	88.3	Confident	17 Å²	17	61 Å²	61	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-77.3	-39.7	177.9	170.4	61	0	0	0	113	C400 F404 D409 L410 I411 R415 I416 H417	C400-H413 PolarHBondContact SG-NE2 2.98Å; F404-H413 HydrophobicContact CE1-CB 4.07Å; F404-H413 HydrophobicContact CE2-CB 3.92Å; F404-H413 AromaticContact CE2-CD2 3.36Å; F404-H413 WeakPolarHBondContact CE2-CD2 3.36Å; F404-H413 AromaticContact CE2-CG 3.69Å; F404-H413 HydrophobicContact CZ-CB 3.51Å; F404-H413 AromaticContact CZ-CD2 3.45Å; F404-H413 VanDerWaalsContact CZ-CD2 3.45Å; F404-H413 WeakPolarHBondContact CZ-CD2 3.41Å; F404-H413 AromaticContact CZ-CG 3.3Å; F404-H413 AromaticContact CZ-ND1 3.88Å; D409-H413 VanDerWaalsContact O-CB 3.28Å; D409-H413 WeakPolarHBondContact O-CB 3.42Å; D409-H413 PolarHBondContact O-N 3.18Å; L410-H413 CarbonylContact O-C 3.54Å; L410-H413 WeakPolarHBondContact O-CA 3.34Å; L410-H413 WeakPolarHBondContact O-CB 3.32Å; L410-H413 PolarHBondContact O-N 3.41Å; I411-H413 PolarHBondContact O-N 3Å; H413-R415 PolarHBondContact O-N 3.17Å; H413-R415 VanDerWaalsContact O-N 3.12Å; H413-I416 VanDerWaalsContact O-CB 3.23Å; H413-I416 WeakPolarHBondContact O-CB 3.32Å; H413-I416 WeakPolarHBondContact O-CG1 3.4Å; H413-I416 PolarHBondContact O-N 3.44Å; H413-H417 AromaticContact CE1-NE2 3.81Å; H413-H417 AromaticContact NE2-NE2 3.51Å
414	H	89.7	Confident	88.7	Confident	52 Å²	52	65.6 Å²	65.6	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-55.7	-30.5	177.3	-81.1	-75.8	0	0	0	113.4	C397 E399 L410 I411 I416 H417 T418	C397-H414 PolarHBondContact SG-CE1 3.1Å; E399-H414 IonicContact OE1-CE1 3.4Å; E399-H414 PolarHBondContact OE1-CE1 2.89Å; E399-H414 IonicContact OE1-CG 2.68Å; E399-H414 IonicContact OE1-ND1 3.95Å; E399-H414 PolarHBondContact OE1-ND1 3.04Å; L410-H414 WeakPolarHBondContact CD1-NE2 3.3Å; L410-H414 PolarHBondContact O-CD2 3.46Å; L410-H414 VanDerWaalsContact O-CD2 3.24Å; L410-H414 PolarHBondContact O-N 3.48Å; I411-H414 PolarHBondContact O-N 3.36Å; H414-I416 PolarHBondContact O-N 2.93Å; H414-H417 WeakPolarHBondContact O-CA 3.26Å; H414-H417 WeakPolarHBondContact O-CB 3.4Å; H414-H417 PolarHBondContact O-N 3.32Å; H414-T418 PolarHBondContact O-N 2.59Å
415	R	91.9	Very high	89.1	Confident	57 Å²	57	63.4 Å²	63.4	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-14.7	171.4	-61.9	-171.8	176.9	155.1	6.2	115	H413 G419 E420 R433	H413-R415 PolarHBondContact O-N 3.17Å; H413-R415 VanDerWaalsContact O-N 3.12Å; R415-G419 PolarHBondContact O-N 2.81Å; R415-E420 HydrophobicContact CB-CB 4.13Å; R415-E420 HydrophobicContact CG-CB 3.93Å; R415-E420 IonicContact NE-OE2 3.58Å; R415-R433 PolarHBondContact NH1-O 2.74Å; R415-R433 WeakPolarHBondContact O-CD 3.47Å; R415-R433 PolarHBondContact O-NE 2.97Å
416	I	90.9	Very high	89.7	Confident	90 Å²	90	69.2 Å²	69.2	46%	0.462	36%	0.355	S	S	.	.	H	α-helix	trans	-70.6	-45.8	169.9	-65.4	172.9	0	0	0	109.6	H413 H414 R433	H413-I416 VanDerWaalsContact O-CB 3.23Å; H413-I416 WeakPolarHBondContact O-CB 3.32Å; H413-I416 WeakPolarHBondContact O-CG1 3.4Å; H413-I416 PolarHBondContact O-N 3.44Å; H414-I416 PolarHBondContact O-N 2.93Å; I416-R433 PolarHBondContact O-NH2 3.17Å
417	H	90.4	Very high	90.1	Very high	72 Å²	72	72.1 Å²	72.1	33%	0.333	37%	0.37	S	S	.	.	H	α-helix	trans	-75.4	-52.8	179.3	-57.7	-64.2	0	0	0	112.8	E399 C400 H413 H414 G419	E399-H417 IonicContact OE1-CD2 2.54Å; E399-H417 PolarHBondContact OE1-CD2 3.1Å; E399-H417 IonicContact OE1-CG 3.97Å; E399-H417 WeakPolarHBondContact OE2-CB 3.47Å; E399-H417 IonicContact OE2-CD2 3.34Å; E399-H417 IonicContact OE2-CG 3.98Å; C400-H417 PolarHBondContact SG-NE2 2.86Å; H413-H417 AromaticContact CE1-NE2 3.81Å; H413-H417 AromaticContact NE2-NE2 3.51Å; H414-H417 WeakPolarHBondContact O-CA 3.26Å; H414-H417 WeakPolarHBondContact O-CB 3.4Å; H414-H417 PolarHBondContact O-N 3.32Å; H417-G419 PolarHBondContact O-N 2.94Å
418	T	89.4	Confident	90.5	Very high	78 Å²	78	70.9 Å²	70.9	48%	0.479	36%	0.364	S	S	.	.	S	Bend	trans	-67.2	-7.6	178.9	67.5	0	0	0	0	113.6	H414 E420	H414-T418 PolarHBondContact O-N 2.59Å; T418-E420 WeakPolarHBondContact CB-OE1 3.48Å; T418-E420 PolarHBondContact O-N 2.83Å; T418-E420 VanDerWaalsContact OG1-CD 3.31Å; T418-E420 WeakPolarHBondContact OG1-CG 3.49Å; T418-E420 PolarHBondContact OG1-OE1 2.95Å
419	G	89.3	Confident	90.8	Very high	34 Å²	34	73.4 Å²	73.4	35%	0.351	37%	0.368	S	S	.	.			trans	71.7	-8	-178.3	0	0	0	0	0	115	R415 H417 K421	R415-G419 PolarHBondContact O-N 2.81Å; H417-G419 PolarHBondContact O-N 2.94Å; G419-K421 PolarHBondContact O-N 3.45Å
420	E	91.7	Very high	91.1	Very high	89 Å²	89	78.4 Å²	78.4	42%	0.416	39%	0.388	S	S	.	.			trans	-46.5	126.1	-175.6	-86.6	169.7	-114.1	0	0	114	R415 T418 R433	R415-E420 HydrophobicContact CB-CB 4.13Å; R415-E420 HydrophobicContact CG-CB 3.93Å; R415-E420 IonicContact NE-OE2 3.58Å; T418-E420 WeakPolarHBondContact CB-OE1 3.48Å; T418-E420 PolarHBondContact O-N 2.83Å; T418-E420 VanDerWaalsContact OG1-CD 3.31Å; T418-E420 WeakPolarHBondContact OG1-CG 3.49Å; T418-E420 PolarHBondContact OG1-OE1 2.95Å; E420-R433 WeakPolarHBondContact O-CG 3.27Å
421	K	92.1	Very high	91.3	Very high	109 Å²	109	79.1 Å²	79.1	47%	0.474	40%	0.397	S	S	.	.			trans	-127.9	75.3	174.9	-70.1	156.1	-176.9	174.2	0	110.2	G419 F423 A431 F432 R433	G419-K421 PolarHBondContact O-N 3.45Å; K421-F423 PolarHBondContact O-N 3.16Å; K421-A431 HydrophobicContact CB-CB 3.58Å; K421-A431 HydrophobicContact CD-CB 4.22Å; K421-A431 WeakPolarHBondContact CD-O 3.49Å; K421-A431 HydrophobicContact CG-CB 4.44Å; K421-F432 CarbonylContact C-O 3.47Å; K421-F432 VanDerWaalsContact C-O 3.27Å; K421-F432 VanDerWaalsContact CA-O 3.32Å; K421-F432 WeakPolarHBondContact CA-O 3.37Å; K421-R433 HydrophobicContact CG-CG 4.02Å
422	P	91.1	Very high	91.5	Very high	68 Å²	68	76.6 Å²	76.6	44%	0.442	38%	0.383	S	S	.	.			trans	-65.6	-20.6	-172.2	-22.7	35.4	0	0	0	114.4
423	F	94.4	Very high	91.6	Very high	61 Å²	61	74.8 Å²	74.8	27%	0.268	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	93.1	-172.2	-54.1	-75.2	0	0	0	110.4	K421 F432 R433 N435 L438	K421-F423 PolarHBondContact O-N 3.16Å; F423-F432 HydrophobicContact CB-CB 4.44Å; F423-F432 PolarHBondContact N-O 3.28Å; F423-F432 VanDerWaalsContact N-O 3.16Å; F423-F432 PolarHBondContact O-N 2.93Å; F423-R433 WeakPolarHBondContact CE2-O 3.46Å; F423-N435 HydrophobicContact CD1-CB 3.78Å; F423-N435 HydrophobicContact CD2-CB 4.36Å; F423-N435 VanDerWaalsContact CD2-N 3.28Å; F423-N435 HydrophobicContact CE1-CB 3.74Å; F423-N435 HydrophobicContact CE2-CB 4.31Å; F423-N435 HydrophobicContact CG-CB 4.1Å; F423-N435 HydrophobicContact CZ-CB 4.01Å; F423-L438 HydrophobicContact CB-CB 4.1Å; F423-L438 HydrophobicContact CB-CD2 3.82Å
424	K	92.9	Very high	91.5	Very high	127 Å²	127	76 Å²	76	55%	0.552	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	147.3	176	-63.3	-178.4	-178.6	177.7	0	111.5	A431 L438	K424-A431 HydrophobicContact CG-CB 4.07Å; K424-L438 VanDerWaalsContact O-CD2 3.3Å; K424-L438 WeakPolarHBondContact O-CD2 3.49Å
425	C	93.1	Very high	91.6	Very high	1 Å²	1	77.9 Å²	77.9	1%	0.007	40%	0.395	C	S	.	.			trans	-89.5	116.3	171.4	-177.9	0	0	0	0	110.7	I427 C428 Q429 K430 F432 L438	C425-I427 PolarHBondContact O-N 2.73Å; C425-I427 VanDerWaalsContact O-N 3.07Å; C425-C428 PolarHBondContact O-N 3Å; C425-Q429 WeakPolarHBondContact O-CA 3.13Å; C425-Q429 PolarHBondContact O-N 2.94Å; C425-K430 WeakPolarHBondContact CB-O 3.32Å; C425-K430 PolarHBondContact N-O 2.71Å; C425-F432 HydrophobicContact CB-CE2 4.4Å; C425-L438 HydrophobicContact CB-CD1 3.58Å
426	N	91.5	Very high	91.5	Very high	143 Å²	143	78.7 Å²	78.7	77%	0.765	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.4	-176.4	-60.3	9.2	0	0	0	113.6	Q429	N426-Q429 PolarHBondContact O-NE2 3.04Å
427	I	90.4	Very high	91.5	Very high	104 Å²	104	78.7 Å²	78.7	53%	0.533	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-38.1	-175.5	-57.8	172.1	0	0	0	112.4	C425 H445	C425-I427 PolarHBondContact O-N 2.73Å; C425-I427 VanDerWaalsContact O-N 3.07Å; I427-H445 HydrophobicContact CD1-CB 3.57Å; I427-H445 HydrophobicContact CG2-CB 4.19Å
428	C	92.1	Very high	91.7	Very high	47 Å²	47	76.4 Å²	76.4	32%	0.318	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	11.5	-174.5	74.3	0	0	0	0	114.7	C425 K430 H441 H445	C425-C428 PolarHBondContact O-N 3Å; C428-K430 PolarHBondContact O-N 3.05Å; C428-H441 PolarHBondContact SG-NE2 2.67Å; C428-H445 PolarHBondContact SG-NE2 3.37Å
429	Q	91.9	Very high	91.7	Very high	119 Å²	119	75.1 Å²	75.1	56%	0.556	40%	0.395	S	S	*	.			trans	55.5	4.6	179.1	-58.7	-58.8	-30.6	0	0	117.1	C425 N426 A431	C425-Q429 WeakPolarHBondContact O-CA 3.13Å; C425-Q429 PolarHBondContact O-N 2.94Å; N426-Q429 PolarHBondContact O-NE2 3.04Å; Q429-A431 PolarHBondContact O-N 3.1Å
430	K	92.4	Very high	91.7	Very high	134 Å²	134	77.1 Å²	77.1	58%	0.583	40%	0.395	S	S	*	.			trans	-59.6	128.4	172.9	-70.5	-178.6	-179.5	177.8	0	110.4	C425 C428 F432	C425-K430 WeakPolarHBondContact CB-O 3.32Å; C425-K430 PolarHBondContact N-O 2.71Å; C428-K430 PolarHBondContact O-N 3.05Å; K430-F432 HydrophobicContact CB-CE2 4Å; K430-F432 HydrophobicContact CB-CZ 4.16Å; K430-F432 WeakPolarHBondContact O-CD2 3.38Å; K430-F432 VanDerWaalsContact O-CE2 3.26Å; K430-F432 WeakPolarHBondContact O-CE2 3.34Å
431	A	93.5	Very high	91.7	Very high	36 Å²	36	74 Å²	74	30%	0.298	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.7	-172.6	0	0	0	0	0	112.3	K421 K424 Q429	K421-A431 HydrophobicContact CB-CB 3.58Å; K421-A431 HydrophobicContact CD-CB 4.22Å; K421-A431 WeakPolarHBondContact CD-O 3.49Å; K421-A431 HydrophobicContact CG-CB 4.44Å; K424-A431 HydrophobicContact CG-CB 4.07Å; Q429-A431 PolarHBondContact O-N 3.1Å
432	F	92.3	Very high	91.6	Very high	44 Å²	44	70.8 Å²	70.8	19%	0.193	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146	-173.5	-60.1	-89.2	0	0	0	112	K421 F423 C425 K430 L434 H437 L438 H441	K421-F432 CarbonylContact C-O 3.47Å; K421-F432 VanDerWaalsContact C-O 3.27Å; K421-F432 VanDerWaalsContact CA-O 3.32Å; K421-F432 WeakPolarHBondContact CA-O 3.37Å; F423-F432 HydrophobicContact CB-CB 4.44Å; F423-F432 PolarHBondContact N-O 3.28Å; F423-F432 VanDerWaalsContact N-O 3.16Å; F423-F432 PolarHBondContact O-N 2.93Å; C425-F432 HydrophobicContact CB-CE2 4.4Å; K430-F432 HydrophobicContact CB-CE2 4Å; K430-F432 HydrophobicContact CB-CZ 4.16Å; K430-F432 WeakPolarHBondContact O-CD2 3.38Å; K430-F432 VanDerWaalsContact O-CE2 3.26Å; K430-F432 WeakPolarHBondContact O-CE2 3.34Å; F432-L434 VanDerWaalsContact C-N 3.31Å; F432-H437 HydrophobicContact CB-CB 4.25Å; F432-H437 HydrophobicContact CD1-CB 3.8Å; F432-H437 HydrophobicContact CG-CB 4.28Å; F432-L438 HydrophobicContact CB-CB 4.36Å; F432-L438 HydrophobicContact CD2-CB 3.96Å; F432-L438 HydrophobicContact CD2-CD1 4Å; F432-L438 HydrophobicContact CE2-CD1 4.17Å; F432-L438 HydrophobicContact CG-CB 4.33Å; F432-H441 HydrophobicContact CE1-CB 4.09Å; F432-H441 HydrophobicContact CE2-CB 3.94Å; F432-H441 AromaticContact CE2-CD2 3.48Å; F432-H441 VanDerWaalsContact CE2-CD2 3.48Å; F432-H441 WeakPolarHBondContact CE2-CD2 3.36Å; F432-H441 AromaticContact CE2-CG 3.76Å; F432-H441 HydrophobicContact CZ-CB 3.52Å; F432-H441 AromaticContact CZ-CD2 3.52Å; F432-H441 AromaticContact CZ-CG 3.34Å; F432-H441 AromaticContact CZ-ND1 3.97Å
433	R	90.8	Very high	91.5	Very high	89 Å²	89	70.1 Å²	70.1	34%	0.336	36%	0.358	S	S	.	.	S	Bend	trans	-69.5	-28.5	175.5	-58.8	-170.5	163.8	114.9	-12.8	112.8	R415 I416 E420 K421 F423	R415-R433 PolarHBondContact NH1-O 2.74Å; R415-R433 WeakPolarHBondContact O-CD 3.47Å; R415-R433 PolarHBondContact O-NE 2.97Å; I416-R433 PolarHBondContact O-NH2 3.17Å; E420-R433 WeakPolarHBondContact O-CG 3.27Å; K421-R433 HydrophobicContact CG-CG 4.02Å; F423-R433 WeakPolarHBondContact CE2-O 3.46Å
434	L	90.1	Very high	91.1	Very high	41 Å²	41	71.4 Å²	71.4	22%	0.215	37%	0.367	C	S	.	.	S	Bend	trans	-127.4	138.1	-174.7	-50.8	-172.9	0	0	0	111.5	R412 F432 S436 H437 L438	R412-L434 VanDerWaalsContact CD-CD2 3.5Å; R412-L434 HydrophobicContact CG-CD2 3.39Å; F432-L434 VanDerWaalsContact C-N 3.31Å; L434-S436 PolarHBondContact O-N 3.27Å; L434-H437 PolarHBondContact O-N 3.43Å; L434-H437 VanDerWaalsContact O-N 3.12Å; L434-L438 PolarHBondContact O-N 3.38Å
435	N	91.6	Very high	90.9	Very high	93 Å²	93	68.3 Å²	68.3	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-30.4	175.5	-166.1	35.6	0	0	0	112.9	F423 H437 L438 A439	F423-N435 HydrophobicContact CD1-CB 3.78Å; F423-N435 HydrophobicContact CD2-CB 4.36Å; F423-N435 VanDerWaalsContact CD2-N 3.28Å; F423-N435 HydrophobicContact CE1-CB 3.74Å; F423-N435 HydrophobicContact CE2-CB 4.31Å; F423-N435 HydrophobicContact CG-CB 4.1Å; F423-N435 HydrophobicContact CZ-CB 4.01Å; N435-H437 VanDerWaalsContact C-N 3.28Å; N435-H437 PolarHBondContact O-N 3.03Å; N435-L438 PolarHBondContact O-N 3.49Å; N435-A439 WeakPolarHBondContact O-CB 3.28Å; N435-A439 PolarHBondContact O-N 3.37Å
436	S	89.5	Confident	90.5	Very high	74 Å²	74	72.3 Å²	72.3	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-35	174.7	50	0	0	0	0	112.8	L434 Q440	L434-S436 PolarHBondContact O-N 3.27Å; S436-Q440 WeakPolarHBondContact O-CB 3.3Å; S436-Q440 PolarHBondContact O-N 2.95Å
437	H	92	Very high	90	Very high	90 Å²	90	71.9 Å²	71.9	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-76.1	-36.5	177.1	-62.9	-178.1	0	0	0	111.1	F432 L434 N435 Q440 H441	F432-H437 HydrophobicContact CB-CB 4.25Å; F432-H437 HydrophobicContact CD1-CB 3.8Å; F432-H437 HydrophobicContact CG-CB 4.28Å; L434-H437 PolarHBondContact O-N 3.43Å; L434-H437 VanDerWaalsContact O-N 3.12Å; N435-H437 VanDerWaalsContact C-N 3.28Å; N435-H437 PolarHBondContact O-N 3.03Å; H437-Q440 PolarHBondContact O-N 3.19Å; H437-H441 VanDerWaalsContact O-CB 3.26Å; H437-H441 WeakPolarHBondContact O-CB 3.32Å; H437-H441 PolarHBondContact O-N 3.03Å
438	L	93.1	Very high	89.7	Confident	23 Å²	23	71 Å²	71	12%	0.12	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-50.3	170.2	172.5	59.5	0	0	0	111.2	F423 K424 C425 F432 L434 N435 Q440 H441 V442	F423-L438 HydrophobicContact CB-CB 4.1Å; F423-L438 HydrophobicContact CB-CD2 3.82Å; K424-L438 VanDerWaalsContact O-CD2 3.3Å; K424-L438 WeakPolarHBondContact O-CD2 3.49Å; C425-L438 HydrophobicContact CB-CD1 3.58Å; F432-L438 HydrophobicContact CB-CB 4.36Å; F432-L438 HydrophobicContact CD2-CB 3.96Å; F432-L438 HydrophobicContact CD2-CD1 4Å; F432-L438 HydrophobicContact CE2-CD1 4.17Å; F432-L438 HydrophobicContact CG-CB 4.33Å; L434-L438 PolarHBondContact O-N 3.38Å; N435-L438 PolarHBondContact O-N 3.49Å; L438-Q440 VanDerWaalsContact C-N 3.3Å; L438-Q440 PolarHBondContact O-N 3.26Å; L438-H441 CarbonylContact O-C 3.56Å; L438-H441 WeakPolarHBondContact O-CA 3.43Å; L438-H441 WeakPolarHBondContact O-CB 3.38Å; L438-H441 PolarHBondContact O-N 3.25Å; L438-V442 HydrophobicContact CD1-CG2 4.02Å; L438-V442 HydrophobicContact CG-CG2 4.5Å; L438-V442 WeakPolarHBondContact O-CG2 3.32Å; L438-V442 PolarHBondContact O-N 3.21Å
439	A	90.3	Very high	89.4	Confident	52 Å²	52	74 Å²	74	43%	0.43	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-36.1	179.1	0	0	0	0	0	112.7	N435	N435-A439 WeakPolarHBondContact O-CB 3.28Å; N435-A439 PolarHBondContact O-N 3.37Å
440	Q	89.1	Confident	89.2	Confident	75 Å²	75	71.5 Å²	71.5	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-67.7	-36.4	171.5	-177.2	-178.9	68.2	0	0	112.2	S436 H437 L438 Q462	S436-Q440 WeakPolarHBondContact O-CB 3.3Å; S436-Q440 PolarHBondContact O-N 2.95Å; H437-Q440 PolarHBondContact O-N 3.19Å; L438-Q440 VanDerWaalsContact C-N 3.3Å; L438-Q440 PolarHBondContact O-N 3.26Å; Q440-Q462 HydrophobicContact CG-CG 4.28Å
441	H	91.3	Very high	89	Confident	24 Å²	24	68.6 Å²	68.6	11%	0.111	35%	0.35	C	S	.	.	H	α-helix	trans	-71.8	-36.2	178.8	172.9	61.5	0	0	0	113.2	C428 F432 H437 L438 R443 I444 H445	C428-H441 PolarHBondContact SG-NE2 2.67Å; F432-H441 HydrophobicContact CE1-CB 4.09Å; F432-H441 HydrophobicContact CE2-CB 3.94Å; F432-H441 AromaticContact CE2-CD2 3.48Å; F432-H441 VanDerWaalsContact CE2-CD2 3.48Å; F432-H441 WeakPolarHBondContact CE2-CD2 3.36Å; F432-H441 AromaticContact CE2-CG 3.76Å; F432-H441 HydrophobicContact CZ-CB 3.52Å; F432-H441 AromaticContact CZ-CD2 3.52Å; F432-H441 AromaticContact CZ-CG 3.34Å; F432-H441 AromaticContact CZ-ND1 3.97Å; H437-H441 VanDerWaalsContact O-CB 3.26Å; H437-H441 WeakPolarHBondContact O-CB 3.32Å; H437-H441 PolarHBondContact O-N 3.03Å; L438-H441 CarbonylContact O-C 3.56Å; L438-H441 WeakPolarHBondContact O-CA 3.43Å; L438-H441 WeakPolarHBondContact O-CB 3.38Å; L438-H441 PolarHBondContact O-N 3.25Å; H441-R443 PolarHBondContact O-N 3.15Å; H441-I444 VanDerWaalsContact O-CB 3.27Å; H441-I444 WeakPolarHBondContact O-CB 3.32Å; H441-I444 WeakPolarHBondContact O-CG1 3.48Å; H441-I444 PolarHBondContact O-N 2.72Å; H441-H445 AromaticContact CD2-NE2 3.84Å; H441-H445 AromaticContact CE1-NE2 3.53Å; H441-H445 AromaticContact NE2-CE1 3.87Å; H441-H445 AromaticContact NE2-NE2 3.05Å; H441-H445 PolarHBondContact NE2-NE2 3.33Å
442	V	89.3	Confident	88.8	Confident	41 Å²	41	73.2 Å²	73.2	25%	0.248	37%	0.366	C	S	.	.	H	α-helix	trans	-58.9	-31.3	178.7	169.1	0	0	0	0	112.3	L438 I444 H445 N446	L438-V442 HydrophobicContact CD1-CG2 4.02Å; L438-V442 HydrophobicContact CG-CG2 4.5Å; L438-V442 WeakPolarHBondContact O-CG2 3.32Å; L438-V442 PolarHBondContact O-N 3.21Å; V442-I444 PolarHBondContact O-N 2.91Å; V442-H445 PolarHBondContact O-N 3.45Å; V442-N446 PolarHBondContact O-N 3.17Å; V442-N446 VanDerWaalsContact O-N 3.07Å
443	R	89.6	Confident	88.7	Confident	55 Å²	55	71.2 Å²	71.2	21%	0.208	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-12.4	172.6	-59.5	-178.1	-178.4	170.5	-0.3	115.2	H441 E447 E448 Y451 R461	H441-R443 PolarHBondContact O-N 3.15Å; R443-E447 CarbonylContact O-C 3.6Å; R443-E447 VanDerWaalsContact O-C 3.27Å; R443-E447 WeakPolarHBondContact O-CA 3.39Å; R443-E447 PolarHBondContact O-N 3.04Å; R443-E448 HydrophobicContact CB-CB 3.98Å; R443-E448 HydrophobicContact CG-CB 3.94Å; R443-E448 PolarHBondContact O-N 3.41Å; R443-Y451 VanDerWaalsContact NH1-CE2 3.31Å; R443-Y451 PolarHBondContact NH1-OH 3.48Å; R443-R461 PolarHBondContact NH1-O 3.33Å; R443-R461 PolarHBondContact O-NE 3.26Å
444	I	87.4	Confident	88.5	Confident	87 Å²	87	72 Å²	72	45%	0.446	38%	0.377	S	S	.	.	H	α-helix	trans	-77.1	-35.7	172.3	-57.1	-178.9	0	0	0	110.1	H441 V442	H441-I444 VanDerWaalsContact O-CB 3.27Å; H441-I444 WeakPolarHBondContact O-CB 3.32Å; H441-I444 WeakPolarHBondContact O-CG1 3.48Å; H441-I444 PolarHBondContact O-N 2.72Å; V442-I444 PolarHBondContact O-N 2.91Å
445	H	87.3	Confident	88.3	Confident	63 Å²	63	74.5 Å²	74.5	29%	0.292	39%	0.387	S	S	.	.	H	α-helix	trans	-83.4	-42.1	179.7	-52.7	-63	0	0	0	112.1	I427 C428 H441 V442 E447	I427-H445 HydrophobicContact CD1-CB 3.57Å; I427-H445 HydrophobicContact CG2-CB 4.19Å; C428-H445 PolarHBondContact SG-NE2 3.37Å; H441-H445 AromaticContact CD2-NE2 3.84Å; H441-H445 AromaticContact CE1-NE2 3.53Å; H441-H445 AromaticContact NE2-CE1 3.87Å; H441-H445 AromaticContact NE2-NE2 3.05Å; H441-H445 PolarHBondContact NE2-NE2 3.33Å; V442-H445 PolarHBondContact O-N 3.45Å; H445-E447 PolarHBondContact O-N 3.22Å
446	N	85.1	Confident	88.2	Confident	85 Å²	85	73.1 Å²	73.1	46%	0.455	38%	0.384	S	S	.	.	S	Bend	trans	-77.1	1.1	176.6	-61.7	10.2	0	0	0	112.9	V442 E448	V442-N446 PolarHBondContact O-N 3.17Å; V442-N446 VanDerWaalsContact O-N 3.07Å; N446-E448 HydrophobicContact CB-CB 4.5Å; N446-E448 HydrophobicContact CB-CG 3.85Å; N446-E448 WeakPolarHBondContact CB-OE1 3.48Å; N446-E448 PolarHBondContact ND2-OE1 2.96Å; N446-E448 PolarHBondContact O-N 3.32Å
447	E	81.4	Confident	88	Confident	133 Å²	133	71.3 Å²	71.3	62%	0.621	38%	0.377	S	S	*	.			trans	56.2	-14.6	-169.2	-62.4	-115.7	101.3	0	0	117.4	R443 H445 K449 R461	R443-E447 CarbonylContact O-C 3.6Å; R443-E447 VanDerWaalsContact O-C 3.27Å; R443-E447 WeakPolarHBondContact O-CA 3.39Å; R443-E447 PolarHBondContact O-N 3.04Å; H445-E447 PolarHBondContact O-N 3.22Å; E447-K449 PolarHBondContact O-N 3.37Å; E447-R461 PolarHBondContact O-NE 3.12Å; E447-R461 IonicContact OE1-CZ 3.39Å; E447-R461 IonicContact OE1-NH2 3.88Å; E447-R461 PolarHBondContact OE1-NH2 3.26Å
448	E	83.2	Confident	87.9	Confident	85 Å²	85	71.9 Å²	71.9	40%	0.397	38%	0.38	S	S	.	.			trans	-27.5	117.2	-178.9	-77.1	173.8	-135.3	0	0	115.2	R443 N446 P450 R461	R443-E448 HydrophobicContact CB-CB 3.98Å; R443-E448 HydrophobicContact CG-CB 3.94Å; R443-E448 PolarHBondContact O-N 3.41Å; N446-E448 HydrophobicContact CB-CB 4.5Å; N446-E448 HydrophobicContact CB-CG 3.85Å; N446-E448 WeakPolarHBondContact CB-OE1 3.48Å; N446-E448 PolarHBondContact ND2-OE1 2.96Å; N446-E448 PolarHBondContact O-N 3.32Å; E448-P450 HydrophobicContact CB-CG 4.44Å; E448-P450 WeakPolarHBondContact O-CD 3.29Å; E448-R461 WeakPolarHBondContact O-CG 3.27Å
449	K	86.3	Confident	87.7	Confident	110 Å²	110	72 Å²	72	48%	0.478	38%	0.384	S	S	.	.			trans	-118	73.2	175.5	-73.6	164.2	156.4	-158.6	0	111.2	E447 Y451 A459 F460 R461	E447-K449 PolarHBondContact O-N 3.37Å; K449-Y451 PolarHBondContact O-N 3.17Å; K449-Y451 VanDerWaalsContact O-N 3.1Å; K449-A459 HydrophobicContact CB-CB 3.74Å; K449-A459 HydrophobicContact CD-CB 4.01Å; K449-A459 WeakPolarHBondContact CD-O 3.39Å; K449-A459 WeakPolarHBondContact CE-O 3.21Å; K449-A459 HydrophobicContact CG-CB 4.43Å; K449-A459 WeakPolarHBondContact CG-O 3.44Å; K449-A459 PolarHBondContact NZ-O 3.29Å; K449-F460 CarbonylContact C-O 3.28Å; K449-F460 VanDerWaalsContact C-O 3.28Å; K449-F460 WeakPolarHBondContact CA-O 3.45Å; K449-R461 HydrophobicContact CG-CG 3.86Å
450	P	87.3	Confident	87.5	Confident	68 Å²	68	71.6 Å²	71.6	44%	0.442	37%	0.373	S	S	.	.			trans	-75.9	1.2	-167.7	-16	33	0	0	0	115.4	E448	E448-P450 HydrophobicContact CB-CG 4.44Å; E448-P450 WeakPolarHBondContact O-CD 3.29Å
451	Y	88.1	Confident	87.3	Confident	72 Å²	72	71.6 Å²	71.6	28%	0.282	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	95.2	-176.6	-50.3	-71.1	0	0	0	109.5	R443 K449 F460 R463	R443-Y451 VanDerWaalsContact NH1-CE2 3.31Å; R443-Y451 PolarHBondContact NH1-OH 3.48Å; K449-Y451 PolarHBondContact O-N 3.17Å; K449-Y451 VanDerWaalsContact O-N 3.1Å; Y451-F460 WeakPolarHBondContact CD2-O 3.43Å; Y451-F460 PolarHBondContact N-O 3.44Å; Y451-F460 PolarHBondContact O-N 2.9Å; Y451-R463 HydrophobicContact CD1-CB 4.09Å; Y451-R463 HydrophobicContact CD2-CB 4.38Å; Y451-R463 VanDerWaalsContact CD2-N 3.27Å; Y451-R463 HydrophobicContact CE1-CB 4.07Å; Y451-R463 HydrophobicContact CE2-CB 4.34Å; Y451-R463 HydrophobicContact CG-CB 4.25Å
452	Q	89	Confident	87	Confident	133 Å²	133	74.2 Å²	74.2	62%	0.621	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	144.6	178.1	-159.5	174.4	15.8	0	0	111.5	G457 E458 A459	Q452-G457 WeakPolarHBondContact CG-O 3.23Å; Q452-G457 PolarHBondContact NE2-O 2.93Å; Q452-E458 CarbonylContact C-O 3.27Å; Q452-E458 WeakPolarHBondContact CA-O 3.26Å; Q452-A459 HydrophobicContact CG-CB 4.48Å
453	C	90.5	Very high	86.9	Confident	2 Å²	2	81.4 Å²	81.4	1%	0.014	41%	0.405	C	S	.	.			trans	-80.1	123.5	169.7	-170.3	0	0	0	0	110.1	E455 G457 E458 F460 L466 H469	C453-E455 PolarHBondContact O-N 3.29Å; C453-G457 VanDerWaalsContact O-CA 3.28Å; C453-G457 WeakPolarHBondContact O-CA 3.43Å; C453-G457 PolarHBondContact O-N 3.47Å; C453-E458 PolarHBondContact N-O 3.48Å; C453-F460 HydrophobicContact CB-CE2 4.45Å; C453-L466 HydrophobicContact CB-CD1 3.68Å; C453-H469 PolarHBondContact SG-NE2 3.48Å
454	S	86.9	Confident	86.8	Confident	107 Å²	107	82.2 Å²	82.2	75%	0.748	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.3	177.3	50.4	0	0	0	0	114.2
455	E	85.9	Confident	86.8	Confident	92 Å²	92	79.2 Å²	79.2	43%	0.43	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-28.2	-174.6	-56.1	-156.7	174.9	0	0	113.8	C453 H473 K477	C453-E455 PolarHBondContact O-N 3.29Å; E455-H473 VanDerWaalsContact OE2-CB 3.28Å; E455-H473 WeakPolarHBondContact OE2-CB 3.43Å; E455-H473 IonicContact OE2-CG 2.69Å; E455-K477 IonicContact OE1-NZ 3.64Å; E455-K477 PolarHBondContact OE1-NZ 3.44Å; E455-K477 IonicContact OE2-NZ 3.51Å; E455-K477 PolarHBondContact OE2-NZ 3.06Å
456	C	90	Very high	86.8	Confident	64 Å²	64	77 Å²	77	43%	0.432	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	9.1	179.1	72.1	0	0	0	0	115.1	E458 H469 H473	C456-E458 PolarHBondContact O-N 3.39Å; C456-E458 VanDerWaalsContact O-N 3.11Å; C456-H469 VanDerWaalsContact SG-CE1 3.56Å; C456-H469 PolarHBondContact SG-NE2 3.03Å; C456-H473 PolarHBondContact SG-NE2 3.3Å; C456-H473 VanDerWaalsContact SG-NE2 3.4Å
457	G	85.2	Confident	86.9	Confident	36 Å²	36	79.4 Å²	79.4	37%	0.371	41%	0.406	S	S	.	.			trans	74.2	-7.1	176.7	0	0	0	0	0	116.2	Q452 C453	Q452-G457 WeakPolarHBondContact CG-O 3.23Å; Q452-G457 PolarHBondContact NE2-O 2.93Å; C453-G457 VanDerWaalsContact O-CA 3.28Å; C453-G457 WeakPolarHBondContact O-CA 3.43Å; C453-G457 PolarHBondContact O-N 3.47Å
458	E	88.8	Confident	87.1	Confident	102 Å²	102	79 Å²	79	48%	0.477	40%	0.404	S	S	.	.			trans	-62.5	140.5	-177.5	-93.2	-58.9	157.1	0	0	113.8	Q452 C453 C456 F460	Q452-E458 CarbonylContact C-O 3.27Å; Q452-E458 WeakPolarHBondContact CA-O 3.26Å; C453-E458 PolarHBondContact N-O 3.48Å; C456-E458 PolarHBondContact O-N 3.39Å; C456-E458 VanDerWaalsContact O-N 3.11Å; E458-F460 HydrophobicContact CB-CE2 3.81Å; E458-F460 HydrophobicContact CB-CZ 4.05Å; E458-F460 WeakPolarHBondContact O-CE2 3.47Å
459	A	89.3	Confident	87.3	Confident	26 Å²	26	76.8 Å²	76.8	22%	0.215	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.1	-165.7	0	0	0	0	0	112.8	K449 Q452	K449-A459 HydrophobicContact CB-CB 3.74Å; K449-A459 HydrophobicContact CD-CB 4.01Å; K449-A459 WeakPolarHBondContact CD-O 3.39Å; K449-A459 WeakPolarHBondContact CE-O 3.21Å; K449-A459 HydrophobicContact CG-CB 4.43Å; K449-A459 WeakPolarHBondContact CG-O 3.44Å; K449-A459 PolarHBondContact NZ-O 3.29Å; Q452-A459 HydrophobicContact CG-CB 4.48Å
460	F	86.5	Confident	87.3	Confident	44 Å²	44	74 Å²	74	19%	0.193	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.6	-169.8	-60.3	-90.5	0	0	0	112.6	K449 Y451 C453 E458 Q462 L466 H469	K449-F460 CarbonylContact C-O 3.28Å; K449-F460 VanDerWaalsContact C-O 3.28Å; K449-F460 WeakPolarHBondContact CA-O 3.45Å; Y451-F460 WeakPolarHBondContact CD2-O 3.43Å; Y451-F460 PolarHBondContact N-O 3.44Å; Y451-F460 PolarHBondContact O-N 2.9Å; C453-F460 HydrophobicContact CB-CE2 4.45Å; E458-F460 HydrophobicContact CB-CE2 3.81Å; E458-F460 HydrophobicContact CB-CZ 4.05Å; E458-F460 WeakPolarHBondContact O-CE2 3.47Å; F460-Q462 VanDerWaalsContact C-N 3.27Å; F460-Q462 PolarHBondContact O-N 2.88Å; F460-L466 HydrophobicContact CB-CB 4.23Å; F460-L466 HydrophobicContact CD2-CB 3.87Å; F460-L466 HydrophobicContact CD2-CD1 3.91Å; F460-L466 HydrophobicContact CD2-CG 4.49Å; F460-L466 HydrophobicContact CE2-CD1 4.08Å; F460-L466 HydrophobicContact CG-CB 4.14Å; F460-H469 HydrophobicContact CE1-CB 3.93Å; F460-H469 HydrophobicContact CE2-CB 4.04Å; F460-H469 AromaticContact CE2-CD2 3.54Å; F460-H469 AromaticContact CE2-CG 3.78Å; F460-H469 HydrophobicContact CZ-CB 3.46Å; F460-H469 VanDerWaalsContact CZ-CB 3.46Å; F460-H469 AromaticContact CZ-CD2 3.58Å; F460-H469 AromaticContact CZ-CG 3.32Å; F460-H469 AromaticContact CZ-ND1 3.78Å
461	R	85	Confident	87.2	Confident	74 Å²	74	78.7 Å²	78.7	28%	0.279	39%	0.391	S	S	.	.	S	Bend	trans	-70.8	-20.3	174.7	-57.2	-169.7	168	146.6	0.3	113.2	R443 E447 E448 K449	R443-R461 PolarHBondContact NH1-O 3.33Å; R443-R461 PolarHBondContact O-NE 3.26Å; E447-R461 PolarHBondContact O-NE 3.12Å; E447-R461 IonicContact OE1-CZ 3.39Å; E447-R461 IonicContact OE1-NH2 3.88Å; E447-R461 PolarHBondContact OE1-NH2 3.26Å; E448-R461 WeakPolarHBondContact O-CG 3.27Å; K449-R461 HydrophobicContact CG-CG 3.86Å
462	Q	85.8	Confident	86.9	Confident	79 Å²	79	81.5 Å²	81.5	37%	0.369	40%	0.402	S	S	.	.	S	Bend	trans	-136.4	142.3	-177.9	-51.5	-170.1	16.8	0	0	112.7	Q440 F460 S464 G465 L466	Q440-Q462 HydrophobicContact CG-CG 4.28Å; F460-Q462 VanDerWaalsContact C-N 3.27Å; F460-Q462 PolarHBondContact O-N 2.88Å; Q462-S464 VanDerWaalsContact C-N 3.25Å; Q462-S464 WeakPolarHBondContact CB-OG 3.28Å; Q462-S464 PolarHBondContact O-N 3.17Å; Q462-S464 PolarHBondContact OE1-OG 3.38Å; Q462-S464 VanDerWaalsContact OE1-OG 3.12Å; Q462-G465 PolarHBondContact O-N 3.47Å; Q462-G465 VanDerWaalsContact O-N 3.14Å; Q462-L466 PolarHBondContact O-N 3.06Å
463	R	86.4	Confident	86.4	Confident	192 Å²	192	77 Å²	77	73%	0.725	38%	0.381	S	S	*	.	H	α-helix	trans	-64.2	-27.9	177.4	-171.5	175.7	-177.2	169.6	3.3	113.2	Y451 F467	Y451-R463 HydrophobicContact CD1-CB 4.09Å; Y451-R463 HydrophobicContact CD2-CB 4.38Å; Y451-R463 VanDerWaalsContact CD2-N 3.27Å; Y451-R463 HydrophobicContact CE1-CB 4.07Å; Y451-R463 HydrophobicContact CE2-CB 4.34Å; Y451-R463 HydrophobicContact CG-CB 4.25Å; R463-F467 WeakPolarHBondContact O-CB 3.5Å; R463-F467 PolarHBondContact O-N 2.89Å
464	S	87.6	Confident	85.2	Confident	73 Å²	73	82.5 Å²	82.5	51%	0.51	41%	0.407	S	S	.	.	H	α-helix	trans	-59.7	-46.2	171.1	40.2	0	0	0	0	112.1	Q462 F467 Q468	Q462-S464 VanDerWaalsContact C-N 3.25Å; Q462-S464 WeakPolarHBondContact CB-OG 3.28Å; Q462-S464 PolarHBondContact O-N 3.17Å; Q462-S464 PolarHBondContact OE1-OG 3.38Å; Q462-S464 VanDerWaalsContact OE1-OG 3.12Å; S464-F467 PolarHBondContact O-N 2.96Å; S464-Q468 WeakPolarHBondContact O-CB 3.21Å; S464-Q468 PolarHBondContact O-N 2.83Å
465	G	86.4	Confident	83.9	Confident	23 Å²	23	84 Å²	84	24%	0.237	40%	0.4	C	S	.	.	H	α-helix	trans	-63.2	-46.5	176.3	0	0	0	0	0	112.2	Q462 F467 Q468 H469	Q462-G465 PolarHBondContact O-N 3.47Å; Q462-G465 VanDerWaalsContact O-N 3.14Å; G465-F467 PolarHBondContact O-N 2.93Å; G465-Q468 PolarHBondContact O-N 3.25Å; G465-H469 WeakPolarHBondContact O-CB 3.24Å; G465-H469 PolarHBondContact O-N 2.9Å
466	L	89.3	Confident	82.5	Confident	18 Å²	18	85.1 Å²	85.1	9%	0.094	41%	0.409	C	S	.	.	H	α-helix	trans	-57.9	-48	174	173	60.1	0	0	0	111.7	C453 F460 Q462 Q468 H469 Q470	C453-L466 HydrophobicContact CB-CD1 3.68Å; F460-L466 HydrophobicContact CB-CB 4.23Å; F460-L466 HydrophobicContact CD2-CB 3.87Å; F460-L466 HydrophobicContact CD2-CD1 3.91Å; F460-L466 HydrophobicContact CD2-CG 4.49Å; F460-L466 HydrophobicContact CE2-CD1 4.08Å; F460-L466 HydrophobicContact CG-CB 4.14Å; Q462-L466 PolarHBondContact O-N 3.06Å; L466-Q468 PolarHBondContact O-N 3.28Å; L466-H469 PolarHBondContact O-N 3.24Å; L466-Q470 HydrophobicContact CD1-CG 3.91Å; L466-Q470 HydrophobicContact CG-CG 4.36Å; L466-Q470 WeakPolarHBondContact O-CG 3.49Å; L466-Q470 PolarHBondContact O-N 3.18Å
467	F	86.1	Confident	80.8	Confident	135 Å²	135	88 Å²	88	59%	0.592	41%	0.414	S	S	*	.	H	α-helix	trans	-64.7	-38.6	-179.8	-173.1	-101.1	0	0	0	112.3	R463 S464 G465 Q470 R471	R463-F467 WeakPolarHBondContact O-CB 3.5Å; R463-F467 PolarHBondContact O-N 2.89Å; S464-F467 PolarHBondContact O-N 2.96Å; G465-F467 PolarHBondContact O-N 2.93Å; F467-Q470 PolarHBondContact O-N 3.42Å; F467-R471 WeakPolarHBondContact O-CG 3.4Å; F467-R471 PolarHBondContact O-N 3.29Å
468	Q	86.4	Confident	79	Confident	123 Å²	123	93.9 Å²	93.9	58%	0.575	44%	0.436	S	S	*	.	H	α-helix	trans	-63.8	-41.6	173.7	-178.3	172.9	-4.5	0	0	111.6	S464 G465 L466 R471 Y472	S464-Q468 WeakPolarHBondContact O-CB 3.21Å; S464-Q468 PolarHBondContact O-N 2.83Å; G465-Q468 PolarHBondContact O-N 3.25Å; L466-Q468 PolarHBondContact O-N 3.28Å; Q468-R471 WeakPolarHBondContact O-CB 3.32Å; Q468-R471 PolarHBondContact O-N 3.39Å; Q468-Y472 VanDerWaalsContact O-CD2 3.3Å; Q468-Y472 WeakPolarHBondContact O-CD2 3.44Å; Q468-Y472 WeakPolarHBondContact O-CE2 3.11Å
469	H	87.5	Confident	76.7	Confident	39 Å²	39	96.3 Å²	96.3	18%	0.181	47%	0.473	C	S	.	.	H	α-helix	trans	-66.2	-41.6	176.1	166.3	78.2	0	0	0	112.8	C453 C456 F460 G465 L466 R471 Y472 H473	C453-H469 PolarHBondContact SG-NE2 3.48Å; C456-H469 VanDerWaalsContact SG-CE1 3.56Å; C456-H469 PolarHBondContact SG-NE2 3.03Å; F460-H469 HydrophobicContact CE1-CB 3.93Å; F460-H469 HydrophobicContact CE2-CB 4.04Å; F460-H469 AromaticContact CE2-CD2 3.54Å; F460-H469 AromaticContact CE2-CG 3.78Å; F460-H469 HydrophobicContact CZ-CB 3.46Å; F460-H469 VanDerWaalsContact CZ-CB 3.46Å; F460-H469 AromaticContact CZ-CD2 3.58Å; F460-H469 AromaticContact CZ-CG 3.32Å; F460-H469 AromaticContact CZ-ND1 3.78Å; G465-H469 WeakPolarHBondContact O-CB 3.24Å; G465-H469 PolarHBondContact O-N 2.9Å; L466-H469 PolarHBondContact O-N 3.24Å; H469-R471 PolarHBondContact O-N 3.02Å; H469-R471 VanDerWaalsContact O-N 3.14Å; H469-Y472 WeakPolarHBondContact O-CB 3.44Å; H469-Y472 WeakPolarHBondContact O-CD2 3.39Å; H469-Y472 PolarHBondContact O-N 3.07Å; H469-H473 AromaticContact CD2-NE2 3.87Å; H469-H473 AromaticContact CE1-NE2 3.37Å; H469-H473 PolarHBondContact CE1-NE2 2.96Å; H469-H473 AromaticContact NE2-CD2 3.79Å; H469-H473 AromaticContact NE2-NE2 3Å; H469-H473 PolarHBondContact NE2-NE2 3.1Å
470	Q	86.1	Confident	76.1	Confident	52 Å²	52	99.9 Å²	99.9	24%	0.243	49%	0.486	C	S	.	.	H	α-helix	trans	-59.7	-25.2	175.6	-75	173.5	-49	0	0	113.1	L466 F467 Y472 H473 H474	L466-Q470 HydrophobicContact CD1-CG 3.91Å; L466-Q470 HydrophobicContact CG-CG 4.36Å; L466-Q470 WeakPolarHBondContact O-CG 3.49Å; L466-Q470 PolarHBondContact O-N 3.18Å; F467-Q470 PolarHBondContact O-N 3.42Å; Q470-Y472 PolarHBondContact O-N 3.2Å; Q470-H473 PolarHBondContact O-N 3.41Å; Q470-H474 PolarHBondContact O-CD2 2.75Å; Q470-H474 PolarHBondContact O-N 3.18Å
471	R	84.9	Confident	75.5	Confident	167 Å²	167	102.8 Å²	102.8	63%	0.63	50%	0.502	S	S	*	.	H	α-helix	trans	-71.6	-5.4	174.3	-66.7	-178.5	73.5	-171.7	4.3	114.7	F467 Q468 H469 K475	F467-R471 WeakPolarHBondContact O-CG 3.4Å; F467-R471 PolarHBondContact O-N 3.29Å; Q468-R471 WeakPolarHBondContact O-CB 3.32Å; Q468-R471 PolarHBondContact O-N 3.39Å; H469-R471 PolarHBondContact O-N 3.02Å; H469-R471 VanDerWaalsContact O-N 3.14Å; R471-K475 WeakPolarHBondContact O-CG 3.33Å
472	Y	81.6	Confident	75	Confident	131 Å²	131	104.4 Å²	104.4	51%	0.514	51%	0.514	S	S	.	.	H	α-helix	trans	-85.9	-53.1	170.2	-67.2	-98.4	0	0	0	109.8	Q468 H469 Q470 H474 K475 D476	Q468-Y472 VanDerWaalsContact O-CD2 3.3Å; Q468-Y472 WeakPolarHBondContact O-CD2 3.44Å; Q468-Y472 WeakPolarHBondContact O-CE2 3.11Å; H469-Y472 WeakPolarHBondContact O-CB 3.44Å; H469-Y472 WeakPolarHBondContact O-CD2 3.39Å; H469-Y472 PolarHBondContact O-N 3.07Å; Q470-Y472 PolarHBondContact O-N 3.2Å; Y472-H474 PolarHBondContact O-N 3Å; Y472-K475 WeakPolarHBondContact O-CA 3.48Å; Y472-K475 WeakPolarHBondContact O-CB 3.33Å; Y472-K475 PolarHBondContact O-N 2.89Å; Y472-D476 PolarHBondContact O-N 2.64Å; Y472-D476 VanDerWaalsContact O-N 3.16Å
473	H	77.6	Confident	74.4	Confident	39 Å²	39	105.9 Å²	105.9	18%	0.181	52%	0.523	C	S	.	.	H	α-helix	trans	-54.6	-30.1	173.9	-55.8	-54.6	0	0	0	114.2	E455 C456 H469 Q470 K477	E455-H473 VanDerWaalsContact OE2-CB 3.28Å; E455-H473 WeakPolarHBondContact OE2-CB 3.43Å; E455-H473 IonicContact OE2-CG 2.69Å; C456-H473 PolarHBondContact SG-NE2 3.3Å; C456-H473 VanDerWaalsContact SG-NE2 3.4Å; H469-H473 AromaticContact CD2-NE2 3.87Å; H469-H473 AromaticContact CE1-NE2 3.37Å; H469-H473 PolarHBondContact CE1-NE2 2.96Å; H469-H473 AromaticContact NE2-CD2 3.79Å; H469-H473 AromaticContact NE2-NE2 3Å; H469-H473 PolarHBondContact NE2-NE2 3.1Å; Q470-H473 PolarHBondContact O-N 3.41Å; H473-K477 WeakPolarHBondContact O-CD 3.44Å; H473-K477 WeakPolarHBondContact O-CG 3.35Å
474	H	65.6	Low	73.6	Confident	117 Å²	117	100.5 Å²	100.5	54%	0.542	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.8	173.8	-74.9	-56.3	0	0	0	115.3	Q470 Y472	Q470-H474 PolarHBondContact O-CD2 2.75Å; Q470-H474 PolarHBondContact O-N 3.18Å; Y472-H474 PolarHBondContact O-N 3Å
475	K	60.8	Low	72.7	Confident	139 Å²	139	102.3 Å²	102.3	60%	0.604	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-41.6	169.3	-74	175.6	172.7	-168.4	0	111	R471 Y472 K477 L478	R471-K475 WeakPolarHBondContact O-CG 3.33Å; Y472-K475 WeakPolarHBondContact O-CA 3.48Å; Y472-K475 WeakPolarHBondContact O-CB 3.33Å; Y472-K475 PolarHBondContact O-N 2.89Å; K475-K477 PolarHBondContact O-N 2.57Å; K475-L478 PolarHBondContact O-N 3.43Å; K475-L478 VanDerWaalsContact O-N 3.1Å
476	D	54.7	Low	71.7	Confident	115 Å²	115	108 Å²	108	62%	0.615	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	3.8	-175.5	-49.2	-30.8	0	0	0	113	Y472	Y472-D476 PolarHBondContact O-N 2.64Å; Y472-D476 VanDerWaalsContact O-N 3.16Å
477	K	54.4	Low	70.4	Confident	124 Å²	124	114.9 Å²	114.9	54%	0.539	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.6	10.4	174.3	-72.6	172.2	175.9	168.2	0	113.5	E455 H473 K475	E455-K477 IonicContact OE1-NZ 3.64Å; E455-K477 PolarHBondContact OE1-NZ 3.44Å; E455-K477 IonicContact OE2-NZ 3.51Å; E455-K477 PolarHBondContact OE2-NZ 3.06Å; H473-K477 WeakPolarHBondContact O-CD 3.44Å; H473-K477 WeakPolarHBondContact O-CG 3.35Å; K475-K477 PolarHBondContact O-N 2.57Å
478	L	48.3	Very low	69.1	Low	160 Å²	160	113.3 Å²	113.3	84%	0.838	56%	0.56	S	S	*	*			trans	-133.2	24.1	179.6	-72.9	173.6	0	0	0	112.7	K475	K475-L478 PolarHBondContact O-N 3.43Å; K475-L478 VanDerWaalsContact O-N 3.1Å
479	A	40.8	Very low	67.5	Low	153 Å²	153	112.4 Å²	112.4	100%	1.264	56%	0.559	S	S	*	*			trans	-128.6	0	171.2	0	0	0	0	0	109.1

Retrieved 479 of 479 residues in 1045.8 ms (Link to these results)

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