A0A096LXF0_POEFO Loading...

Adhesion G protein-coupled receptor F5-like

AlphaFold DB , UniProt , Accession A0A096LXF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,027 aa.

						>A0A096LXF0_POEFO|A0A096LXF0
MWVFIFLYILSLNCQTSATENSTQMYYAKLKIDRSAIQNISSKLNFNVKGNLSIEDVTMTTKCKENNNGNKTCKCKEGHKWSDEVRLTGVDCDEKNCTLKADSNSMCTLSSAVDITGRFTLEGAEFESCLTDKNSGTYKVCHNGLLNKMKIEYSKIRGFDSLAITQFSVGSVIVDFTMKIVSDVSSGELFNKSTALTKTLTGKMTLETKGIVTLDISKTSVPYDNKTVVICKTERQLEAKPNWNLQRKDGEFLITNGSISTVEDEEKISTVTIKHVSELWQGEYICLFVEQEDQITINHKANATMDICLKPKIDISADPAFPLCKTESTVFVVKVKCEIKNTTETYSVSWQEGAIEKPMTPEGDKLIYSADKVVNCKSGGDSSSTGSPLVYCNFTNECNQTYGASMKVEVIYPDEKYCSAEGEWANTKAGFTAEIKCKDKAGTRKRKCSSGETGREGIWGDEVSECVEKDLASVLETAAISDIGLGKLESNAAIVFERFVKVTKTLKLPGYANINTSVTVFTTMNEKLNLTTITNDSAIENYLYSSSHLLNKSLEDSWTKDTTDNSSLSMAERFMISVENLIKISNLTVGTRRENLQVDLCNISSCNINVFNVTISVPGGVNVKTTAFKQLDKYLPHLDNKSEVNSIIVSATAENANDISINFQMIKPRPRNFQLKCVYWDTKNHKFSSEGCDWKGPSEEGRCDCKHFSSFALLLSKEPLEVPGLTYVTYVALSVSVLSLVVTLVIELIVWSDVVKTSTLYLRHTAHVNICLCLLIGNLCFLASSSNPESISDLWCRTSAVLKHFCYLAMFFWTFCLSATLLHQAVFLFHKVSRANYLRFSLVVGYAIPLIIVFVTFLTCNGGAEGVYYFRKTCWLVYGGLFKGTFYTFIIPVGAIVFINVFSMLVVIMKLVSHHSEIHQKTDISPEKEKAAAKTVVRSIILLTPIFGVTWIFGFAILIFDLTSGPAAYAFEYIFTILNGFQGFFILLTTCFGDRMTREALLRYIKKKAPASSVSESTSKSEVTWKK
					

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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	35.8	Very low	33.2	Very low	226 Å²	226	180.2 Å²	180.2	100%	1.113	87%	0.874	S	S	*	*				0	40.6	0	-160.4	176.6	79	0	0	112.7
2	W	29.3	Very low	32.8	Very low	242 Å²	242	176.2 Å²	176.2	92%	0.917	86%	0.859	S	S	*	*			trans	-154.4	31.5	170.9	-96.2	91.6	0	0	0	113.2
3	V	32.8	Very low	32.3	Very low	140 Å²	140	175.7 Å²	175.7	85%	0.848	86%	0.863	S	S	*	*	S	Bend	trans	-122.3	1.6	177.5	-178	0	0	0	0	112.8
4	F	33.1	Very low	32.1	Very low	206 Å²	206	169.1 Å²	169.1	90%	0.904	84%	0.841	S	S	*	*	S	Bend	trans	-106.8	8.8	-175.4	-95.5	-82.3	0	0	0	115.5
5	I	35.7	Very low	31.7	Very low	145 Å²	145	171.2 Å²	171.2	74%	0.744	85%	0.848	S	S	*	*	S	Bend	trans	-128.6	65.5	-175.9	-49.7	176.8	0	0	0	110.5
6	F	33.6	Very low	31.8	Very low	201 Å²	201	166.8 Å²	166.8	88%	0.882	83%	0.833	S	S	*	*	S	Bend	trans	-142.2	1.5	163.8	-125.6	-85.4	0	0	0	114.8
7	L	33.5	Very low	32	Very low	177 Å²	177	162.1 Å²	162.1	93%	0.927	82%	0.82	S	S	*	*	S	Bend	trans	-112.3	22.1	178.9	-79.1	167.6	0	0	0	113.8
8	Y	30.8	Very low	32.4	Very low	217 Å²	217	155.7 Å²	155.7	85%	0.851	80%	0.796	S	S	*	*	S	Bend	trans	-110.8	3.8	-177.2	-133.8	-90.1	0	0	0	115
9	I	37.2	Very low	33	Very low	158 Å²	158	153.8 Å²	153.8	81%	0.81	79%	0.793	S	S	*	*	S	Bend	trans	-108.7	8.7	-173.6	-63.9	178.6	0	0	0	114.1
10	L	32.4	Very low	34	Very low	154 Å²	154	154.4 Å²	154.4	81%	0.806	79%	0.792	S	S	*	*			trans	-119.6	76.3	168.9	-79.3	159	0	0	0	110	L12	L10-L12 HydrophobicContact CD2-CD1 4.32Å; L10-L12 PolarHBondContact O-N 2.64Å
11	S	30.7	Very low	35	Very low	116 Å²	116	153.9 Å²	153.9	81%	0.811	79%	0.791	S	S	*	*			trans	-64.3	79.4	157.9	56.6	0	0	0	0	109.2
12	L	29.1	Very low	36.2	Very low	132 Å²	132	146 Å²	146	69%	0.691	76%	0.758	S	S	*	*			trans	-98.2	89.9	158.9	-95	148	0	0	0	106.5	L10 C14	L10-L12 HydrophobicContact CD2-CD1 4.32Å; L10-L12 PolarHBondContact O-N 2.64Å; L12-C14 VanDerWaalsContact C-N 3.28Å; L12-C14 PolarHBondContact O-N 2.7Å
13	N	25.7	Very low	37.9	Very low	170 Å²	170	136 Å²	136	91%	0.909	72%	0.723	S	S	*	*			trans	-68.9	92.2	162.4	-94.1	-18.6	0	0	0	107.7
14	C	29.3	Very low	39.6	Very low	84 Å²	84	133.5 Å²	133.5	57%	0.568	70%	0.703	S	S	*	*			trans	-94.3	106.4	161.9	-95.2	0	0	0	0	108.3	L12 T16	L12-C14 VanDerWaalsContact C-N 3.28Å; L12-C14 PolarHBondContact O-N 2.7Å; C14-T16 HydrophobicContact CB-CG2 4.41Å; C14-T16 PolarHBondContact O-N 2.75Å
15	Q	26.7	Very low	41.3	Very low	200 Å²	200	127 Å²	127	94%	0.935	68%	0.676	S	S	*	*			trans	-74.4	109.5	157.2	-87.6	-178.3	-21.8	0	0	107.6
16	T	33.6	Very low	43.1	Very low	100 Å²	100	127.2 Å²	127.2	61%	0.613	67%	0.668	S	S	*	*			trans	-127.6	107.3	167	55.8	0	0	0	0	108.3	C14 A18	C14-T16 HydrophobicContact CB-CG2 4.41Å; C14-T16 PolarHBondContact O-N 2.75Å; T16-A18 PolarHBondContact O-N 3.23Å
17	S	34.1	Very low	45	Very low	88 Å²	88	122.1 Å²	122.1	62%	0.615	64%	0.644	S	S	*	*			trans	-87	93.5	162.8	70.4	0	0	0	0	107.6
18	A	39.6	Very low	46.9	Very low	47 Å²	47	118.1 Å²	118.1	39%	0.388	64%	0.636	S	S	.	*			trans	-121	108.4	165.5	0	0	0	0	0	107	T16 E20	T16-A18 PolarHBondContact O-N 3.23Å; A18-E20 PolarHBondContact O-N 3.19Å
19	T	44	Very low	48.9	Very low	120 Å²	120	112.8 Å²	112.8	74%	0.736	62%	0.618	S	S	*	*			trans	-77.6	102.3	167.5	43.1	0	0	0	0	107.3
20	E	52.4	Low	50.6	Low	165 Å²	165	110 Å²	110	77%	0.771	60%	0.604	S	S	*	*	S	Bend	trans	81.4	126.1	169.3	-57.9	-175.7	167.9	0	0	119.2	A18	A18-E20 PolarHBondContact O-N 3.19Å
21	N	55.1	Low	52.4	Low	143 Å²	143	109.6 Å²	109.6	77%	0.765	60%	0.596	S	S	*	*			trans	47.5	59.3	167	-65.8	-2.1	0	0	0	117.8	K155	N21-K155 VanDerWaalsContact O-CG 3.3Å; N21-K155 WeakPolarHBondContact O-CG 3.06Å
22	S	60.8	Low	54.3	Low	60 Å²	60	108 Å²	108	42%	0.42	58%	0.577	S	S	.	*			trans	-89.6	130.1	168.6	-171.2	0	0	0	0	110.9	S154	S22-S154 WeakPolarHBondContact CB-OG 3.28Å; S22-S154 WeakPolarHBondContact OG-CB 3.29Å; S22-S154 PolarHBondContact OG-OG 3.2Å
23	T	65	Low	56.1	Low	32 Å²	32	107 Å²	107	20%	0.196	57%	0.573	C	S	.	*			trans	-105.3	127.6	172.5	56.6	0	0	0	0	109.2	S154 I156	T23-S154 WeakPolarHBondContact CA-O 3.34Å; T23-S154 PolarHBondContact N-O 2.63Å; T23-S154 VanDerWaalsContact O-O 3.09Å; T23-S154 PolarHBondContact OG1-O 3.2Å; T23-I156 PolarHBondContact OG1-O 2.72Å
24	Q	69.7	Low	57.9	Low	89 Å²	89	108.6 Å²	108.6	42%	0.416	57%	0.566	S	S	.	*			trans	-142.6	138.3	177.6	-171.4	170.3	16.6	0	0	109.5	Y26	Q24-Y26 HydrophobicContact CB-CE2 3.83Å; Q24-Y26 HydrophobicContact CG-CE2 3.94Å; Q24-Y26 WeakPolarHBondContact O-CD2 3.35Å; Q24-Y26 PolarHBondContact OE1-OH 2.91Å
25	M	69.2	Low	59.5	Low	69 Å²	69	109.6 Å²	109.6	34%	0.34	57%	0.574	S	S	.	*			trans	-86	129.6	-178.6	-68.4	-64	-72.3	0	0	111.3	F159	M25-F159 PolarHBondContact N-O 3.2Å
26	Y	73.2	Confident	61.3	Low	149 Å²	149	102.5 Å²	102.5	58%	0.584	55%	0.549	S	S	*	.			trans	-124	136.1	175.8	-67.3	-85.2	0	0	0	110.2	Q24	Q24-Y26 HydrophobicContact CB-CE2 3.83Å; Q24-Y26 HydrophobicContact CG-CE2 3.94Å; Q24-Y26 WeakPolarHBondContact O-CD2 3.35Å; Q24-Y26 PolarHBondContact OE1-OH 2.91Å
27	Y	73.9	Confident	62.6	Low	95 Å²	95	102.3 Å²	102.3	37%	0.373	54%	0.544	S	S	.	.			trans	-107.5	133.1	179.2	-59.8	-83.2	0	0	0	110.5	M106	Y27-M106 HydrophobicContact CD1-CG 4.21Å
28	A	72.8	Confident	63.7	Low	92 Å²	92	107.3 Å²	107.3	76%	0.76	56%	0.557	S	S	*	*			trans	-130.3	137.8	177.6	0	0	0	0	0	111.2
29	K	71.9	Confident	64.4	Low	106 Å²	106	109.9 Å²	109.9	46%	0.461	56%	0.564	S	S	.	*			trans	-93.7	121.8	175.7	-178.9	174.9	176	177.2	0	109.6	S103 N104	K29-S103 PolarHBondContact NZ-O 2.81Å; K29-N104 WeakPolarHBondContact CD-OD1 3.42Å; K29-N104 PolarHBondContact NZ-OD1 3.01Å
30	L	73.6	Confident	65.4	Low	99 Å²	99	106.3 Å²	106.3	52%	0.518	54%	0.54	S	S	.	.			trans	-116.8	123.7	179.3	-170.3	66.5	0	0	0	110.3	I32 I40 L44	L30-I32 HydrophobicContact CD2-CD1 3.55Å; L30-I32 HydrophobicContact CD2-CG1 3.91Å; L30-I32 HydrophobicContact CG-CD1 3.92Å; L30-I32 HydrophobicContact CG-CG1 3.73Å; L30-I40 HydrophobicContact CD2-CG2 4.25Å; L30-L44 HydrophobicContact CD2-CD1 3.86Å; L30-L44 HydrophobicContact CD2-CD2 3.72Å; L30-L44 HydrophobicContact CD2-CG 4.39Å
31	K	70.9	Confident	65.8	Low	146 Å²	146	100.6 Å²	100.6	64%	0.635	52%	0.519	S	S	*	.			trans	-97.1	130.8	171.2	-70	-163.6	178.4	-150.5	0	109.1	E65	K31-E65 IonicContact NZ-OE1 3.42Å; K31-E65 PolarHBondContact NZ-OE1 2.91Å
32	I	70.6	Confident	65.9	Low	83 Å²	83	98 Å²	98	43%	0.426	51%	0.511	S	S	.	.			trans	-138.5	142.7	-173.1	-43.1	173.7	0	0	0	109.5	L30 A36 I40	L30-I32 HydrophobicContact CD2-CD1 3.55Å; L30-I32 HydrophobicContact CD2-CG1 3.91Å; L30-I32 HydrophobicContact CG-CD1 3.92Å; L30-I32 HydrophobicContact CG-CG1 3.73Å; I32-A36 HydrophobicContact CG2-CB 3.84Å; I32-I40 HydrophobicContact CD1-CB 4.32Å; I32-I40 HydrophobicContact CD1-CD1 3.59Å; I32-I40 HydrophobicContact CD1-CG1 4.03Å; I32-I40 HydrophobicContact CD1-CG2 3.73Å; I32-I40 HydrophobicContact CG2-CD1 3.85Å
33	D	66.6	Low	65.8	Low	111 Å²	111	103.7 Å²	103.7	59%	0.594	53%	0.529	S	S	*	.			trans	-63.6	141.1	173.9	-162.8	-63.6	0	0	0	111.4	S35 A36	D33-S35 PolarHBondContact O-N 3.21Å; D33-S35 PolarHBondContact OD1-N 2.99Å; D33-S35 PolarHBondContact OD1-OG 3.49Å; D33-A36 PolarHBondContact O-N 3.26Å; D33-A36 VanDerWaalsContact O-N 3.16Å
34	R	62.3	Low	65.7	Low	202 Å²	202	104.8 Å²	104.8	76%	0.762	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-57.4	-24.6	-175.2	-169.4	173.7	-178.2	-176.3	-3.6	113	A36	R34-A36 VanDerWaalsContact C-N 3.33Å; R34-A36 PolarHBondContact O-N 3.33Å
35	S	63.5	Low	65.1	Low	106 Å²	106	107.8 Å²	107.8	74%	0.741	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-74.4	-11.5	-178.7	48.5	0	0	0	0	115.1	D33	D33-S35 PolarHBondContact O-N 3.21Å; D33-S35 PolarHBondContact OD1-N 2.99Å; D33-S35 PolarHBondContact OD1-OG 3.49Å
36	A	65.1	Low	64.8	Low	51 Å²	51	108.9 Å²	108.9	42%	0.421	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-96.2	4.8	-172.8	0	0	0	0	0	116.1	I32 D33 R34 Q38 I40	I32-A36 HydrophobicContact CG2-CB 3.84Å; D33-A36 PolarHBondContact O-N 3.26Å; D33-A36 VanDerWaalsContact O-N 3.16Å; R34-A36 VanDerWaalsContact C-N 3.33Å; R34-A36 PolarHBondContact O-N 3.33Å; A36-Q38 PolarHBondContact O-N 3.42Å; A36-I40 HydrophobicContact CB-CD1 4.05Å; A36-I40 VanDerWaalsContact O-CD1 3.31Å; A36-I40 WeakPolarHBondContact O-CD1 3.38Å
37	I	61.1	Low	63.9	Low	96 Å²	96	109.4 Å²	109.4	49%	0.492	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.8	82.6	-163	-62.8	173.2	0	0	0	113.3
38	Q	56.1	Low	63.2	Low	192 Å²	192	107.8 Å²	107.8	90%	0.897	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	-29.4	152.5	-86.1	-169.5	-19.1	0	0	115	A36	A36-Q38 PolarHBondContact O-N 3.42Å
39	N	55.9	Low	62.3	Low	102 Å²	102	113.8 Å²	113.8	55%	0.545	58%	0.576	S	S	.	*			trans	-163.7	69.9	174.7	-133.7	-8.2	0	0	0	112.7	S42	N39-S42 PolarHBondContact O-OG 2.91Å
40	I	64.4	Low	61.7	Low	45 Å²	45	111.5 Å²	111.5	23%	0.231	58%	0.583	C	S	.	*	S	Bend	trans	-70.8	-35.1	-178.7	-91.4	132	0	0	0	112.2	L30 I32 A36 S42 K43 L44	L30-I40 HydrophobicContact CD2-CG2 4.25Å; I32-I40 HydrophobicContact CD1-CB 4.32Å; I32-I40 HydrophobicContact CD1-CD1 3.59Å; I32-I40 HydrophobicContact CD1-CG1 4.03Å; I32-I40 HydrophobicContact CD1-CG2 3.73Å; I32-I40 HydrophobicContact CG2-CD1 3.85Å; A36-I40 HydrophobicContact CB-CD1 4.05Å; A36-I40 VanDerWaalsContact O-CD1 3.31Å; A36-I40 WeakPolarHBondContact O-CD1 3.38Å; I40-S42 VanDerWaalsContact C-N 3.27Å; I40-S42 PolarHBondContact O-N 3.48Å; I40-K43 PolarHBondContact O-N 3.03Å; I40-L44 HydrophobicContact CG2-CD1 3.51Å; I40-L44 HydrophobicContact CG2-CD2 4.48Å; I40-L44 HydrophobicContact CG2-CG 3.86Å; I40-L44 WeakPolarHBondContact O-CG 3.08Å; I40-L44 PolarHBondContact O-N 2.86Å; I40-L44 VanDerWaalsContact O-N 3.08Å
41	S	59.4	Low	61	Low	45 Å²	45	115.6 Å²	115.6	32%	0.315	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60	-33.4	-178.8	36.9	0	0	0	0	113.4	K43	S41-K43 VanDerWaalsContact C-N 3.34Å
42	S	57.9	Low	60.5	Low	87 Å²	87	113.5 Å²	113.5	61%	0.608	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-8.2	176.3	59.6	0	0	0	0	114.5	N39 I40	N39-S42 PolarHBondContact O-OG 2.91Å; I40-S42 VanDerWaalsContact C-N 3.27Å; I40-S42 PolarHBondContact O-N 3.48Å
43	K	58.9	Low	60	Low	181 Å²	181	114.1 Å²	114.1	79%	0.787	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-8	179.4	-69.3	-169.6	176.3	-172.5	0	113.7	I40 S41 N45	I40-K43 PolarHBondContact O-N 3.03Å; S41-K43 VanDerWaalsContact C-N 3.34Å; K43-N45 PolarHBondContact O-N 2.95Å
44	L	63.2	Low	60	Low	54 Å²	54	112.6 Å²	112.6	28%	0.283	60%	0.604	S	S	.	*			trans	-79.6	98	175.5	-74.8	168	0	0	0	109.3	L30 I40 F46 V57	L30-L44 HydrophobicContact CD2-CD1 3.86Å; L30-L44 HydrophobicContact CD2-CD2 3.72Å; L30-L44 HydrophobicContact CD2-CG 4.39Å; I40-L44 HydrophobicContact CG2-CD1 3.51Å; I40-L44 HydrophobicContact CG2-CD2 4.48Å; I40-L44 HydrophobicContact CG2-CG 3.86Å; I40-L44 WeakPolarHBondContact O-CG 3.08Å; I40-L44 PolarHBondContact O-N 2.86Å; I40-L44 VanDerWaalsContact O-N 3.08Å; L44-F46 HydrophobicContact CB-CD2 4.45Å; L44-F46 HydrophobicContact CB-CE2 3.83Å; L44-F46 HydrophobicContact CB-CZ 4.25Å; L44-F46 HydrophobicContact CD1-CE2 4.44Å; L44-F46 HydrophobicContact CD1-CZ 4.37Å; L44-F46 HydrophobicContact CD2-CZ 4.17Å; L44-F46 HydrophobicContact CG-CZ 4.5Å; L44-V57 HydrophobicContact CB-CG1 4.47Å; L44-V57 HydrophobicContact CD1-CG1 4.3Å
45	N	55.9	Low	60.1	Low	152 Å²	152	110.3 Å²	110.3	81%	0.813	60%	0.602	S	S	*	*			trans	-101.3	110.6	169.6	-165.8	1.4	0	0	0	108.9	K43	K43-N45 PolarHBondContact O-N 2.95Å
46	F	64.6	Low	60.2	Low	93 Å²	93	109.7 Å²	109.7	41%	0.408	59%	0.59	S	S	.	*			trans	-95.3	104.9	178.2	-66.6	-78.4	0	0	0	108.5	L44 V48 I54 V57	L44-F46 HydrophobicContact CB-CD2 4.45Å; L44-F46 HydrophobicContact CB-CE2 3.83Å; L44-F46 HydrophobicContact CB-CZ 4.25Å; L44-F46 HydrophobicContact CD1-CE2 4.44Å; L44-F46 HydrophobicContact CD1-CZ 4.37Å; L44-F46 HydrophobicContact CD2-CZ 4.17Å; L44-F46 HydrophobicContact CG-CZ 4.5Å; F46-V48 PolarHBondContact O-N 2.85Å; F46-I54 HydrophobicContact CB-CD1 3.31Å; F46-I54 HydrophobicContact CD2-CD1 4.28Å; F46-I54 HydrophobicContact CG-CD1 4.06Å; F46-V57 HydrophobicContact CD2-CG2 4.1Å; F46-V57 HydrophobicContact CE2-CG1 4.03Å; F46-V57 HydrophobicContact CE2-CG2 4.11Å
47	N	54.3	Low	60.6	Low	160 Å²	160	109.4 Å²	109.4	86%	0.856	58%	0.583	S	S	*	*			trans	-88.7	102.4	176.6	-155.6	4.7	0	0	0	109.1
48	V	59.5	Low	61.1	Low	61 Å²	61	108.2 Å²	108.2	37%	0.37	58%	0.58	S	S	.	*			trans	-92.5	130.6	-179.7	-170.8	0	0	0	0	108.9	F46 G50 L52 I54	F46-V48 PolarHBondContact O-N 2.85Å; V48-G50 PolarHBondContact O-N 2.91Å; V48-L52 HydrophobicContact CB-CB 4.45Å; V48-L52 HydrophobicContact CG1-CB 4.19Å; V48-L52 HydrophobicContact CG1-CD2 4.3Å; V48-L52 HydrophobicContact CG2-CD2 4.39Å; V48-I54 HydrophobicContact CG2-CD1 3.74Å; V48-I54 HydrophobicContact CG2-CG1 4.5Å
49	K	51.9	Low	62	Low	217 Å²	217	103.5 Å²	103.5	94%	0.943	56%	0.559	S	S	*	*	S	Bend	trans	-73.4	110.4	173.2	-82.1	-174.5	174.4	-177.7	0	109.7
50	G	60.9	Low	63.1	Low	58 Å²	58	99.8 Å²	99.8	60%	0.598	54%	0.54	S	S	*	.	S	Bend	trans	138.1	-173.3	176.4	0	0	0	0	0	112.8	V48 L52	V48-G50 PolarHBondContact O-N 2.91Å; G50-L52 PolarHBondContact O-N 2.85Å
51	N	58.1	Low	64	Low	186 Å²	186	98.9 Å²	98.9	100%	0.995	54%	0.537	S	S	*	.	S	Bend	trans	-76	38.2	176.4	-71.8	-0.3	0	0	0	113
52	L	59.6	Low	65.2	Low	101 Å²	101	102.5 Å²	102.5	53%	0.529	55%	0.547	S	S	.	.			trans	-115.8	113.1	-173.2	-149.3	124.3	0	0	0	110.1	V48 G50	V48-L52 HydrophobicContact CB-CB 4.45Å; V48-L52 HydrophobicContact CG1-CB 4.19Å; V48-L52 HydrophobicContact CG1-CD2 4.3Å; V48-L52 HydrophobicContact CG2-CD2 4.39Å; G50-L52 PolarHBondContact O-N 2.85Å
53	S	60.6	Low	66.4	Low	97 Å²	97	101.2 Å²	101.2	68%	0.678	54%	0.538	S	S	*	.			trans	-104.8	129.4	176.2	54.6	0	0	0	0	110.6
54	I	67.4	Low	67.6	Low	79 Å²	79	98.5 Å²	98.5	41%	0.405	53%	0.526	S	S	.	.			trans	-89.5	115.4	175.3	-68.4	163.4	0	0	0	108.2	F46 V48 V57	F46-I54 HydrophobicContact CB-CD1 3.31Å; F46-I54 HydrophobicContact CD2-CD1 4.28Å; F46-I54 HydrophobicContact CG-CD1 4.06Å; V48-I54 HydrophobicContact CG2-CD1 3.74Å; V48-I54 HydrophobicContact CG2-CG1 4.5Å; I54-V57 HydrophobicContact CG2-CG2 3.62Å
55	E	63.8	Low	68.3	Low	154 Å²	154	101.5 Å²	101.5	72%	0.72	54%	0.538	S	S	*	.			trans	-84.2	-40	-174.9	-66.1	-173.5	163.3	0	0	113.4
56	D	66.3	Low	69.3	Low	93 Å²	93	97.4 Å²	97.4	50%	0.497	52%	0.516	S	S	.	.			trans	-144.6	133.2	-173.6	-164.8	3.5	0	0	0	111.5	T58 R157	D56-T58 WeakPolarHBondContact OD1-CG2 3.44Å; D56-R157 IonicContact OD2-NH2 3.27Å; D56-R157 PolarHBondContact OD2-NH2 2.65Å
57	V	72	Confident	69.3	Low	45 Å²	45	101 Å²	101	27%	0.273	54%	0.54	S	S	.	.			trans	-123.8	105.7	179.5	179.9	0	0	0	0	108.9	L44 F46 I54	L44-V57 HydrophobicContact CB-CG1 4.47Å; L44-V57 HydrophobicContact CD1-CG1 4.3Å; F46-V57 HydrophobicContact CD2-CG2 4.1Å; F46-V57 HydrophobicContact CE2-CG1 4.03Å; F46-V57 HydrophobicContact CE2-CG2 4.11Å; I54-V57 HydrophobicContact CG2-CG2 3.62Å
58	T	71.8	Confident	69.7	Low	70 Å²	70	100.6 Å²	100.6	43%	0.429	54%	0.537	S	S	.	.			trans	-119.9	136.1	-178.8	56.9	0	0	0	0	111.8	D56 T60	D56-T58 WeakPolarHBondContact OD1-CG2 3.44Å; T58-T60 PolarHBondContact O-N 2.88Å
59	M	75.2	Confident	70.2	Confident	93 Å²	93	99.9 Å²	99.9	46%	0.458	54%	0.542	S	S	.	.			trans	-79.4	117	173.3	-177	-173.4	73.6	0	0	109.4	K62 K76	M59-K62 HydrophobicContact CE-CB 4.32Å; M59-K76 WeakPolarHBondContact O-CD 3.38Å
60	T	78.6	Confident	71.5	Confident	24 Å²	24	92 Å²	92	15%	0.147	51%	0.511	C	S	.	.			trans	-91.8	-31.8	-179.2	69.2	0	0	0	0	113.4	T58 K76 C107	T58-T60 PolarHBondContact O-N 2.88Å; T60-K76 PolarHBondContact O-N 2.97Å; T60-C107 VanDerWaalsContact CB-O 3.27Å; T60-C107 WeakPolarHBondContact CB-O 3.37Å; T60-C107 PolarHBondContact OG1-O 2.99Å; T60-C107 VanDerWaalsContact OG1-O 3.13Å
61	T	84.3	Confident	72.6	Confident	27 Å²	27	89.8 Å²	89.8	17%	0.166	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.5	-170.1	-45.9	0	0	0	0	110.9	C73 W81 C107	T61-C73 HydrophobicContact CG2-CB 4.09Å; T61-W81 HydrophobicContact CG2-CH2 3.58Å; T61-W81 HydrophobicContact CG2-CZ2 3.73Å; T61-C107 WeakPolarHBondContact OG1-CB 3.36Å; T61-C107 PolarHBondContact OG1-N 3.22Å; T61-C107 PolarHBondContact OG1-SG 3.13Å
62	K	84.5	Confident	73.9	Confident	120 Å²	120	83.3 Å²	83.3	52%	0.522	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.5	174.8	-173.7	175.2	-177.3	176.1	0	110	M59 C73 K74	M59-K62 HydrophobicContact CE-CB 4.32Å; K62-C73 CarbonylContact O-C 3.49Å; K62-C73 WeakPolarHBondContact O-CA 2.98Å; K62-K74 PolarHBondContact N-O 3.12Å; K62-K74 PolarHBondContact O-N 3.26Å
63	C	83.4	Confident	75.2	Confident	61 Å²	61	78.6 Å²	78.6	41%	0.412	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	146.6	179.3	-63.3	0	0	0	0	112.4	K71 T72 C73	C63-K71 HydrophobicContact CB-CD 4.24Å; C63-T72 CarbonylContact C-O 3.52Å; C63-T72 WeakPolarHBondContact CA-O 3.34Å; C63-C73 HydrophobicContact CB-CB 4.06Å; C63-C73 WeakPolarHBondContact CB-SG 3.47Å; C63-C73 WeakPolarHBondContact SG-CB 3.24Å; C63-C73 CovalentContact SG-SG 2.03Å; C63-C73 PolarHBondContact SG-SG 3.27Å
64	K	82.9	Confident	76.4	Confident	124 Å²	124	79.8 Å²	79.8	54%	0.539	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.8	170.9	-171.4	-178.4	177.9	-168.8	0	109	K71 T72	K64-K71 CarbonylContact O-C 3.57Å; K64-K71 VanDerWaalsContact O-CA 3.27Å; K64-K71 WeakPolarHBondContact O-CA 3.02Å; K64-T72 PolarHBondContact N-O 3.13Å; K64-T72 PolarHBondContact O-N 3.4Å; K64-T72 PolarHBondContact O-OG1 2.95Å
65	E	79.3	Confident	77.3	Confident	117 Å²	117	76.4 Å²	76.4	55%	0.547	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.7	174.7	-71.4	178.6	-179.1	0	0	109.6	K31 K71	K31-E65 IonicContact NZ-OE1 3.42Å; K31-E65 PolarHBondContact NZ-OE1 2.91Å; E65-K71 HydrophobicContact CG-CB 4.33Å
66	N	76.4	Confident	78.2	Confident	66 Å²	66	73.8 Å²	73.8	35%	0.353	39%	0.39	S	S	.	.			trans	-98.7	150.9	172.8	-66	-4.9	0	0	0	108.8	N68 G69 N70 T72	N66-N68 PolarHBondContact O-N 2.82Å; N66-G69 PolarHBondContact O-N 3.11Å; N66-N70 WeakPolarHBondContact CA-O 3.28Å; N66-N70 WeakPolarHBondContact CB-O 3.33Å; N66-N70 PolarHBondContact N-O 3.36Å; N66-T72 VanDerWaalsContact ND2-CG2 3.3Å; N66-T72 WeakPolarHBondContact ND2-CG2 3.42Å; N66-T72 PolarHBondContact OD1-OG1 2.03Å
67	N	63.8	Low	78.6	Confident	169 Å²	169	77.7 Å²	77.7	90%	0.904	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-7.9	-177.5	-70.2	-6.6	0	0	0	115
68	N	63.6	Low	78.4	Confident	150 Å²	150	77.6 Å²	77.6	80%	0.802	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	17.6	-177.4	-64.9	6	0	0	0	113.8	N66 N70	N66-N68 PolarHBondContact O-N 2.82Å; N68-N70 VanDerWaalsContact C-N 3.31Å; N68-N70 PolarHBondContact O-N 2.76Å
69	G	69.1	Low	78.8	Confident	46 Å²	46	75.3 Å²	75.3	47%	0.474	40%	0.398	S	S	.	.	S	Bend	trans	80.9	5.1	178.4	0	0	0	0	0	115.5	N66 A101	N66-G69 PolarHBondContact O-N 3.11Å; G69-A101 VanDerWaalsContact O-CB 3.23Å; G69-A101 WeakPolarHBondContact O-CB 3.48Å; G69-A101 PolarHBondContact O-N 2.99Å
70	N	79.3	Confident	79	Confident	52 Å²	52	75 Å²	75	28%	0.278	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	160.9	173.3	-72.1	-9.6	0	0	0	110.6	N66 N68 T98 L99	N66-N70 WeakPolarHBondContact CA-O 3.28Å; N66-N70 WeakPolarHBondContact CB-O 3.33Å; N66-N70 PolarHBondContact N-O 3.36Å; N68-N70 VanDerWaalsContact C-N 3.31Å; N68-N70 PolarHBondContact O-N 2.76Å; N70-T98 HydrophobicContact CB-CG2 3.81Å; N70-L99 CarbonylContact C-O 3.56Å; N70-L99 WeakPolarHBondContact CA-O 3.46Å
71	K	84.1	Confident	79.1	Confident	11 Å²	11	73.9 Å²	73.9	5%	0.048	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.8	173.1	60	178	-171.3	170.8	0	109.9	C63 K64 E65 T98 L99 K100 S103	C63-K71 HydrophobicContact CB-CD 4.24Å; K64-K71 CarbonylContact O-C 3.57Å; K64-K71 VanDerWaalsContact O-CA 3.27Å; K64-K71 WeakPolarHBondContact O-CA 3.02Å; E65-K71 HydrophobicContact CG-CB 4.33Å; K71-T98 WeakPolarHBondContact O-CA 3.28Å; K71-L99 HydrophobicContact CG-CB 4.08Å; K71-L99 WeakPolarHBondContact CG-O 3.35Å; K71-L99 PolarHBondContact N-O 3Å; K71-L99 PolarHBondContact O-N 2.94Å; K71-K100 WeakPolarHBondContact CE-O 3.45Å; K71-S103 PolarHBondContact NZ-O 2.73Å
72	T	85	Confident	78.5	Confident	50 Å²	50	74.3 Å²	74.3	31%	0.307	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.4	171	44	0	0	0	0	108.6	C63 K64 N66 T98	C63-T72 CarbonylContact C-O 3.52Å; C63-T72 WeakPolarHBondContact CA-O 3.34Å; K64-T72 PolarHBondContact N-O 3.13Å; K64-T72 PolarHBondContact O-N 3.4Å; K64-T72 PolarHBondContact O-OG1 2.95Å; N66-T72 VanDerWaalsContact ND2-CG2 3.3Å; N66-T72 WeakPolarHBondContact ND2-CG2 3.42Å; N66-T72 PolarHBondContact OD1-OG1 2.03Å; T72-T98 HydrophobicContact CG2-CG2 4.16Å
73	C	87.1	Confident	77.8	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.02	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.4	-175.6	-62.6	0	0	0	0	110.9	T61 K62 C63 W81 N96 C97	T61-C73 HydrophobicContact CG2-CB 4.09Å; K62-C73 CarbonylContact O-C 3.49Å; K62-C73 WeakPolarHBondContact O-CA 2.98Å; C63-C73 HydrophobicContact CB-CB 4.06Å; C63-C73 WeakPolarHBondContact CB-SG 3.47Å; C63-C73 WeakPolarHBondContact SG-CB 3.24Å; C63-C73 CovalentContact SG-SG 2.03Å; C63-C73 PolarHBondContact SG-SG 3.27Å; C73-W81 HydrophobicContact CB-CH2 3.91Å; C73-W81 HydrophobicContact CB-CZ2 3.45Å; C73-W81 VanDerWaalsContact CB-CZ2 3.45Å; C73-N96 CarbonylContact O-C 3.59Å; C73-N96 WeakPolarHBondContact O-CA 3.42Å; C73-C97 PolarHBondContact N-O 3.15Å; C73-C97 PolarHBondContact O-N 2.78Å
74	K	87.4	Confident	77.3	Confident	122 Å²	122	77.5 Å²	77.5	53%	0.53	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.6	176.6	-178.8	169.4	-176.5	176.3	0	110.6	K62 K95 N96	K62-K74 PolarHBondContact N-O 3.12Å; K62-K74 PolarHBondContact O-N 3.26Å; K74-K95 CarbonylContact C-O 3.54Å; K74-K95 VanDerWaalsContact CA-O 3.27Å; K74-K95 WeakPolarHBondContact CA-O 3.06Å; K74-N96 WeakPolarHBondContact CD-OD1 3.47Å; K74-N96 WeakPolarHBondContact CG-OD1 3.37Å
75	C	85.9	Confident	77	Confident	8 Å²	8	72 Å²	72	5%	0.054	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	144.7	172.7	-58.2	0	0	0	0	111.1	H79 W81 K95 C107	C75-H79 HydrophobicContact CB-CB 4.3Å; C75-H79 WeakPolarHBondContact CB-O 3.44Å; C75-W81 VanDerWaalsContact SG-CD1 3.52Å; C75-W81 PolarHBondContact SG-NE1 2.98Å; C75-W81 VanDerWaalsContact SG-NE1 3.37Å; C75-K95 PolarHBondContact N-O 2.82Å; C75-C107 WeakPolarHBondContact CA-SG 3.5Å; C75-C107 HydrophobicContact CB-CB 3.67Å; C75-C107 WeakPolarHBondContact CB-SG 3.49Å; C75-C107 WeakPolarHBondContact SG-CB 3.35Å; C75-C107 CovalentContact SG-SG 2.02Å; C75-C107 PolarHBondContact SG-SG 3.43Å
76	K	82.4	Confident	76.9	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.426	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-71	159.6	169.1	-164.9	174.3	175.9	-170.8	0	109.7	M59 T60 G78 H79	M59-K76 WeakPolarHBondContact O-CD 3.38Å; T60-K76 PolarHBondContact O-N 2.97Å; K76-G78 PolarHBondContact O-N 3.2Å; K76-H79 WeakPolarHBondContact O-CB 3.37Å; K76-H79 PolarHBondContact O-N 2.9Å; K76-H79 VanDerWaalsContact O-N 3.09Å
77	E	74.2	Confident	76.8	Confident	176 Å²	176	74.9 Å²	74.9	82%	0.822	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	137.8	173.9	-153.9	164	-160	0	0	110.9	H79	E77-H79 VanDerWaalsContact C-N 3.35Å; E77-H79 PolarHBondContact O-ND1 2.91Å
78	G	68.9	Low	77.2	Confident	42 Å²	42	72.1 Å²	72.1	43%	0.433	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	6.1	-171.9	0	0	0	0	0	116.1	K76 S110	K76-G78 PolarHBondContact O-N 3.2Å; G78-S110 PolarHBondContact O-N 3.42Å; G78-S110 PolarHBondContact O-OG 3.06Å; G78-S110 VanDerWaalsContact O-OG 3.08Å
79	H	79.1	Confident	77.5	Confident	23 Å²	23	65.9 Å²	65.9	11%	0.106	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149	179.4	-62.3	68.6	0	0	0	111.8	C75 K76 E77 C107 T108 L109	C75-H79 HydrophobicContact CB-CB 4.3Å; C75-H79 WeakPolarHBondContact CB-O 3.44Å; K76-H79 WeakPolarHBondContact O-CB 3.37Å; K76-H79 PolarHBondContact O-N 2.9Å; K76-H79 VanDerWaalsContact O-N 3.09Å; E77-H79 VanDerWaalsContact C-N 3.35Å; E77-H79 PolarHBondContact O-ND1 2.91Å; H79-C107 HydrophobicContact CB-CB 3.92Å; H79-T108 CarbonylContact C-O 3.53Å; H79-T108 WeakPolarHBondContact CA-O 3.07Å; H79-T108 VanDerWaalsContact CB-O 3.3Å; H79-T108 WeakPolarHBondContact CB-O 3.02Å; H79-L109 WeakPolarHBondContact NE2-CD1 3.34Å
80	K	79.3	Confident	77.6	Confident	85 Å²	85	68.2 Å²	68.2	37%	0.37	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161.1	179.1	69.9	-178.2	-177.6	-177.7	0	112.8	E94 C107 T108	K80-E94 WeakPolarHBondContact CA-O 3.15Å; K80-C107 VanDerWaalsContact O-CA 3.31Å; K80-C107 WeakPolarHBondContact O-CA 3.33Å; K80-T108 PolarHBondContact N-O 2.77Å; K80-T108 PolarHBondContact O-N 2.69Å
81	W	80.6	Confident	77.4	Confident	1 Å²	1	72.7 Å²	72.7	0%	0.004	38%	0.382	C	S	.	.			trans	-73.9	141.6	171	-70.8	112	0	0	0	111.7	T61 C73 C75 V85 R86 E94 C97 L99 C107	T61-W81 HydrophobicContact CG2-CH2 3.58Å; T61-W81 HydrophobicContact CG2-CZ2 3.73Å; C73-W81 HydrophobicContact CB-CH2 3.91Å; C73-W81 HydrophobicContact CB-CZ2 3.45Å; C73-W81 VanDerWaalsContact CB-CZ2 3.45Å; C75-W81 VanDerWaalsContact SG-CD1 3.52Å; C75-W81 PolarHBondContact SG-NE1 2.98Å; C75-W81 VanDerWaalsContact SG-NE1 3.37Å; W81-V85 HydrophobicContact CD2-CG1 4.17Å; W81-V85 HydrophobicContact CE3-CB 4.16Å; W81-V85 HydrophobicContact CE3-CG1 3.53Å; W81-V85 HydrophobicContact CZ3-CG1 3.94Å; W81-R86 HydrophobicContact CB-CG 3.87Å; W81-E94 PolarHBondContact N-O 3.2Å; W81-C97 HydrophobicContact CD2-CB 4.1Å; W81-C97 HydrophobicContact CG-CB 4.16Å; W81-C97 HydrophobicContact CZ2-CB 4.13Å; W81-C97 VanDerWaalsContact NE1-CB 3.33Å; W81-L99 HydrophobicContact CH2-CD1 3.56Å; W81-L99 HydrophobicContact CZ2-CD1 4.22Å; W81-L99 HydrophobicContact CZ3-CD1 3.88Å; W81-C107 VanDerWaalsContact CZ2-SG 3.54Å
82	S	71.8	Confident	77.1	Confident	37 Å²	37	73.6 Å²	73.6	26%	0.259	39%	0.39	S	S	.	.			trans	-69.6	155	171.5	67.4	0	0	0	0	111.4	E84 V85 R86	S82-E84 VanDerWaalsContact C-N 3.26Å; S82-E84 PolarHBondContact O-N 2.77Å; S82-V85 PolarHBondContact O-N 2.92Å; S82-V85 VanDerWaalsContact OG-CG2 3.25Å; S82-V85 WeakPolarHBondContact OG-CG2 3.47Å; S82-R86 PolarHBondContact O-N 2.87Å
83	D	69.2	Low	76.8	Confident	97 Å²	97	75 Å²	75	52%	0.519	40%	0.395	S	S	.	.	H	α-helix	trans	-58.9	-39	-177.2	-61.2	-10.9	0	0	0	112.1	V85 R86 L87	D83-V85 VanDerWaalsContact C-N 3.3Å; D83-V85 PolarHBondContact O-N 3.2Å; D83-R86 PolarHBondContact O-N 2.94Å; D83-R86 IonicContact OD1-CZ 3.42Å; D83-R86 IonicContact OD1-NE 2.72Å; D83-R86 IonicContact OD1-NH2 2.77Å; D83-R86 PolarHBondContact OD1-NH2 2.8Å; D83-L87 WeakPolarHBondContact O-CG 3.35Å; D83-L87 PolarHBondContact O-N 3.21Å
84	E	72.8	Confident	76.1	Confident	151 Å²	151	80.2 Å²	80.2	71%	0.706	42%	0.419	S	S	*	.	H	α-helix	trans	-59.9	-39.1	175	-67.4	174.3	164.1	0	0	112.4	S82 L87 T88	S82-E84 VanDerWaalsContact C-N 3.26Å; S82-E84 PolarHBondContact O-N 2.77Å; E84-L87 PolarHBondContact O-N 2.86Å; E84-T88 WeakPolarHBondContact O-CB 3.47Å; E84-T88 WeakPolarHBondContact O-CG2 3.38Å; E84-T88 PolarHBondContact O-N 2.81Å; E84-T88 VanDerWaalsContact O-N 3.09Å; E84-T88 PolarHBondContact O-OG1 3.03Å
85	V	77.9	Confident	75.8	Confident	8 Å²	8	80 Å²	80	5%	0.048	42%	0.418	C	S	.	.	H	α-helix	trans	-75.1	-34.8	179.4	-179.7	0	0	0	0	110.7	W81 S82 D83 L87 T88 G89 L99	W81-V85 HydrophobicContact CD2-CG1 4.17Å; W81-V85 HydrophobicContact CE3-CB 4.16Å; W81-V85 HydrophobicContact CE3-CG1 3.53Å; W81-V85 HydrophobicContact CZ3-CG1 3.94Å; S82-V85 PolarHBondContact O-N 2.92Å; S82-V85 VanDerWaalsContact OG-CG2 3.25Å; S82-V85 WeakPolarHBondContact OG-CG2 3.47Å; D83-V85 VanDerWaalsContact C-N 3.3Å; D83-V85 PolarHBondContact O-N 3.2Å; V85-L87 VanDerWaalsContact C-N 3.33Å; V85-T88 PolarHBondContact O-N 3.06Å; V85-G89 PolarHBondContact O-N 2.87Å; V85-L99 HydrophobicContact CG1-CD1 4.4Å; V85-L99 HydrophobicContact CG1-CD2 3.7Å
86	R	77.2	Confident	75.8	Confident	93 Å²	93	82.8 Å²	82.8	35%	0.351	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-35.9	173.8	-66.4	-168.4	-67.9	160	-3.5	112.2	W81 S82 D83	W81-R86 HydrophobicContact CB-CG 3.87Å; S82-R86 PolarHBondContact O-N 2.87Å; D83-R86 PolarHBondContact O-N 2.94Å; D83-R86 IonicContact OD1-CZ 3.42Å; D83-R86 IonicContact OD1-NE 2.72Å; D83-R86 IonicContact OD1-NH2 2.77Å; D83-R86 PolarHBondContact OD1-NH2 2.8Å
87	L	73.6	Confident	75.9	Confident	151 Å²	151	78.2 Å²	78.2	79%	0.791	41%	0.413	S	S	*	.	H	α-helix	trans	-74.2	-31.2	176.6	-73.4	165.1	0	0	0	113.4	D83 E84 V85	D83-L87 WeakPolarHBondContact O-CG 3.35Å; D83-L87 PolarHBondContact O-N 3.21Å; E84-L87 PolarHBondContact O-N 2.86Å; V85-L87 VanDerWaalsContact C-N 3.33Å
88	T	73.6	Confident	76.4	Confident	111 Å²	111	71 Å²	71	68%	0.681	38%	0.381	S	S	*	.	H	α-helix	trans	-99.2	-15	-174.9	55.3	0	0	0	0	114.7	E84 V85	E84-T88 WeakPolarHBondContact O-CB 3.47Å; E84-T88 WeakPolarHBondContact O-CG2 3.38Å; E84-T88 PolarHBondContact O-N 2.81Å; E84-T88 VanDerWaalsContact O-N 3.09Å; E84-T88 PolarHBondContact O-OG1 3.03Å; V85-T88 PolarHBondContact O-N 3.06Å
89	G	69.5	Low	77.1	Confident	19 Å²	19	69.3 Å²	69.3	20%	0.196	36%	0.362	C	S	.	.	S	Bend	trans	-83.9	163.7	178.7	0	0	0	0	0	114	V85 C92	V85-G89 PolarHBondContact O-N 2.87Å; G89-C92 VanDerWaalsContact CA-SG 3.54Å
90	V	71.4	Confident	77.2	Confident	95 Å²	95	75.3 Å²	75.3	58%	0.576	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.1	175.1	-178.4	0	0	0	0	107.2	T98	V90-T98 PolarHBondContact N-O 2.85Å; V90-T98 WeakPolarHBondContact O-CA 3.23Å; V90-T98 WeakPolarHBondContact O-CB 3.25Å; V90-T98 PolarHBondContact O-N 2.83Å
91	D	74.4	Confident	76.8	Confident	146 Å²	146	73 Å²	73	78%	0.781	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.5	71.3	178	-161.7	23.8	0	0	0	113
92	C	78.3	Confident	76.5	Confident	30 Å²	30	78.7 Å²	78.7	20%	0.203	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.4	-174.1	-61.5	0	0	0	0	112	G89 N96 C97	G89-C92 VanDerWaalsContact CA-SG 3.54Å; C92-N96 CarbonylContact C-O 3.59Å; C92-N96 WeakPolarHBondContact CA-O 3.15Å; C92-C97 HydrophobicContact CB-CB 3.58Å; C92-C97 WeakPolarHBondContact CB-SG 3.16Å; C92-C97 WeakPolarHBondContact SG-CA 3.4Å; C92-C97 WeakPolarHBondContact SG-CB 3.3Å; C92-C97 CovalentContact SG-SG 2.02Å; C92-C97 PolarHBondContact SG-SG 3.06Å
93	D	77.4	Confident	76.7	Confident	79 Å²	79	78.1 Å²	78.1	42%	0.422	41%	0.411	S	S	.	.			trans	-96.5	-175.7	167.3	73.8	41.7	0	0	0	110.5	K95 N96	D93-K95 PolarHBondContact O-N 2.83Å; D93-K95 WeakPolarHBondContact OD1-CA 3.5Å; D93-K95 PolarHBondContact OD1-N 2.84Å; D93-N96 PolarHBondContact N-O 3.49Å; D93-N96 PolarHBondContact OD1-N 3Å; D93-N96 PolarHBondContact OD1-ND2 3.32Å; D93-N96 PolarHBondContact OD2-ND2 3.5Å
94	E	74.1	Confident	76.9	Confident	113 Å²	113	79.2 Å²	79.2	53%	0.528	42%	0.416	S	S	.	.	S	Bend	trans	-62.6	-24.3	-179.5	-67.8	-167.7	154.1	0	0	114.3	K80 W81	K80-E94 WeakPolarHBondContact CA-O 3.15Å; W81-E94 PolarHBondContact N-O 3.2Å
95	K	80.3	Confident	77.3	Confident	117 Å²	117	73.5 Å²	73.5	51%	0.509	39%	0.394	S	S	.	.	S	Bend	trans	-118.4	-26	-173.4	-67.3	-172.3	177.9	179.2	0	113.9	K74 C75 D93	K74-K95 CarbonylContact C-O 3.54Å; K74-K95 VanDerWaalsContact CA-O 3.27Å; K74-K95 WeakPolarHBondContact CA-O 3.06Å; C75-K95 PolarHBondContact N-O 2.82Å; D93-K95 PolarHBondContact O-N 2.83Å; D93-K95 WeakPolarHBondContact OD1-CA 3.5Å; D93-K95 PolarHBondContact OD1-N 2.84Å
96	N	85.7	Confident	77.4	Confident	66 Å²	66	76.3 Å²	76.3	35%	0.353	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.7	-175.7	-50.3	-66.3	0	0	0	109.1	C73 K74 C92 D93	C73-N96 CarbonylContact O-C 3.59Å; C73-N96 WeakPolarHBondContact O-CA 3.42Å; K74-N96 WeakPolarHBondContact CD-OD1 3.47Å; K74-N96 WeakPolarHBondContact CG-OD1 3.37Å; C92-N96 CarbonylContact C-O 3.59Å; C92-N96 WeakPolarHBondContact CA-O 3.15Å; D93-N96 PolarHBondContact N-O 3.49Å; D93-N96 PolarHBondContact OD1-N 3Å; D93-N96 PolarHBondContact OD1-ND2 3.32Å; D93-N96 PolarHBondContact OD2-ND2 3.5Å
97	C	85.3	Confident	77.5	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.014	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	137.2	178.8	-176.1	0	0	0	0	110.8	C73 W81 C92 L99	C73-C97 PolarHBondContact N-O 3.15Å; C73-C97 PolarHBondContact O-N 2.78Å; W81-C97 HydrophobicContact CD2-CB 4.1Å; W81-C97 HydrophobicContact CG-CB 4.16Å; W81-C97 HydrophobicContact CZ2-CB 4.13Å; W81-C97 VanDerWaalsContact NE1-CB 3.33Å; C92-C97 HydrophobicContact CB-CB 3.58Å; C92-C97 WeakPolarHBondContact CB-SG 3.16Å; C92-C97 WeakPolarHBondContact SG-CA 3.4Å; C92-C97 WeakPolarHBondContact SG-CB 3.3Å; C92-C97 CovalentContact SG-SG 2.02Å; C92-C97 PolarHBondContact SG-SG 3.06Å; C97-L99 WeakPolarHBondContact SG-CD2 3.47Å
98	T	84.8	Confident	77.5	Confident	25 Å²	25	66.4 Å²	66.4	15%	0.153	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115	172	-48.6	0	0	0	0	110	N70 K71 T72 V90	N70-T98 HydrophobicContact CB-CG2 3.81Å; K71-T98 WeakPolarHBondContact O-CA 3.28Å; T72-T98 HydrophobicContact CG2-CG2 4.16Å; V90-T98 PolarHBondContact N-O 2.85Å; V90-T98 WeakPolarHBondContact O-CA 3.23Å; V90-T98 WeakPolarHBondContact O-CB 3.25Å; V90-T98 PolarHBondContact O-N 2.83Å
99	L	83.5	Confident	77.4	Confident	7 Å²	7	63 Å²	63	4%	0.037	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	159.1	-175.1	-63.3	172.5	0	0	0	110.6	N70 K71 W81 V85 C97	N70-L99 CarbonylContact C-O 3.56Å; N70-L99 WeakPolarHBondContact CA-O 3.46Å; K71-L99 HydrophobicContact CG-CB 4.08Å; K71-L99 WeakPolarHBondContact CG-O 3.35Å; K71-L99 PolarHBondContact N-O 3Å; K71-L99 PolarHBondContact O-N 2.94Å; W81-L99 HydrophobicContact CH2-CD1 3.56Å; W81-L99 HydrophobicContact CZ2-CD1 4.22Å; W81-L99 HydrophobicContact CZ3-CD1 3.88Å; V85-L99 HydrophobicContact CG1-CD1 4.4Å; V85-L99 HydrophobicContact CG1-CD2 3.7Å; C97-L99 WeakPolarHBondContact SG-CD2 3.47Å
100	K	80.4	Confident	77.2	Confident	149 Å²	149	65 Å²	65	65%	0.648	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	148.8	168.6	-62.3	-178.7	-178.9	177	0	110.5	K71 D102 S103	K71-K100 WeakPolarHBondContact CE-O 3.45Å; K100-D102 WeakPolarHBondContact CB-OD1 3.24Å; K100-D102 PolarHBondContact O-N 2.96Å; K100-S103 WeakPolarHBondContact O-CB 3.49Å; K100-S103 PolarHBondContact O-N 3.25Å; K100-S103 VanDerWaalsContact O-N 3.12Å
101	A	71.9	Confident	76.9	Confident	35 Å²	35	61.3 Å²	61.3	29%	0.289	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.4	-175.9	0	0	0	0	0	114.3	G69	G69-A101 VanDerWaalsContact O-CB 3.23Å; G69-A101 WeakPolarHBondContact O-CB 3.48Å; G69-A101 PolarHBondContact O-N 2.99Å
102	D	72.9	Confident	76.9	Confident	122 Å²	122	55.9 Å²	55.9	65%	0.652	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-18	179.5	61.5	-21	0	0	0	114.1	K100 N104	K100-D102 WeakPolarHBondContact CB-OD1 3.24Å; K100-D102 PolarHBondContact O-N 2.96Å; D102-N104 PolarHBondContact O-N 3.37Å; D102-N104 PolarHBondContact O-OD1 3.09Å
103	S	77.1	Confident	77.1	Confident	24 Å²	24	54.6 Å²	54.6	17%	0.168	30%	0.296	C	S	.	.			trans	-53.4	137	-178.3	164.7	0	0	0	0	112.5	K29 K71 K100 S105	K29-S103 PolarHBondContact NZ-O 2.81Å; K71-S103 PolarHBondContact NZ-O 2.73Å; K100-S103 WeakPolarHBondContact O-CB 3.49Å; K100-S103 PolarHBondContact O-N 3.25Å; K100-S103 VanDerWaalsContact O-N 3.12Å; S103-S105 WeakPolarHBondContact OG-CB 3.41Å; S103-S105 PolarHBondContact OG-N 3.49Å; S103-S105 VanDerWaalsContact OG-N 3.13Å; S103-S105 PolarHBondContact OG-OG 2.94Å
104	N	72.9	Confident	77.4	Confident	120 Å²	120	54.5 Å²	54.5	64%	0.642	30%	0.296	S	S	*	.			trans	-102.1	8.4	173.9	-67.6	-23.8	0	0	0	112.7	K29 D102	K29-N104 WeakPolarHBondContact CD-OD1 3.42Å; K29-N104 PolarHBondContact NZ-OD1 3.01Å; D102-N104 PolarHBondContact O-N 3.37Å; D102-N104 PolarHBondContact O-OD1 3.09Å
105	S	80.6	Confident	78.1	Confident	32 Å²	32	49.1 Å²	49.1	22%	0.224	27%	0.271	C	S	.	.			trans	-60.4	139	176.8	-50.8	0	0	0	0	110.8	S103	S103-S105 WeakPolarHBondContact OG-CB 3.41Å; S103-S105 PolarHBondContact OG-N 3.49Å; S103-S105 VanDerWaalsContact OG-N 3.13Å; S103-S105 PolarHBondContact OG-OG 2.94Å
106	M	80.9	Confident	78.5	Confident	66 Å²	66	46.6 Å²	46.6	33%	0.325	27%	0.265	S	S	.	.			trans	-133.1	155.8	179.6	61.8	-76.6	112.7	0	0	110.9	Y27	Y27-M106 HydrophobicContact CD1-CG 4.21Å
107	C	78.8	Confident	78.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-73.4	135	167.4	-50.9	0	0	0	0	109.9	T60 T61 C75 H79 K80 W81	T60-C107 VanDerWaalsContact CB-O 3.27Å; T60-C107 WeakPolarHBondContact CB-O 3.37Å; T60-C107 PolarHBondContact OG1-O 2.99Å; T60-C107 VanDerWaalsContact OG1-O 3.13Å; T61-C107 WeakPolarHBondContact OG1-CB 3.36Å; T61-C107 PolarHBondContact OG1-N 3.22Å; T61-C107 PolarHBondContact OG1-SG 3.13Å; C75-C107 WeakPolarHBondContact CA-SG 3.5Å; C75-C107 HydrophobicContact CB-CB 3.67Å; C75-C107 WeakPolarHBondContact CB-SG 3.49Å; C75-C107 WeakPolarHBondContact SG-CB 3.35Å; C75-C107 CovalentContact SG-SG 2.02Å; C75-C107 PolarHBondContact SG-SG 3.43Å; H79-C107 HydrophobicContact CB-CB 3.92Å; K80-C107 VanDerWaalsContact O-CA 3.31Å; K80-C107 WeakPolarHBondContact O-CA 3.33Å; W81-C107 VanDerWaalsContact CZ2-SG 3.54Å
108	T	73.9	Confident	78.9	Confident	37 Å²	37	50 Å²	50	23%	0.227	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	163.8	173.2	54.8	0	0	0	0	109.6	H79 K80	H79-T108 CarbonylContact C-O 3.53Å; H79-T108 WeakPolarHBondContact CA-O 3.07Å; H79-T108 VanDerWaalsContact CB-O 3.3Å; H79-T108 WeakPolarHBondContact CB-O 3.02Å; K80-T108 PolarHBondContact N-O 2.77Å; K80-T108 PolarHBondContact O-N 2.69Å
109	L	71.3	Confident	79	Confident	38 Å²	38	48.9 Å²	48.9	20%	0.199	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	145.3	170.7	-97.5	92.6	0	0	0	110.1	H79 S111 V181	H79-L109 WeakPolarHBondContact NE2-CD1 3.34Å; L109-S111 VanDerWaalsContact C-N 3.26Å; L109-S111 PolarHBondContact O-N 2.88Å; L109-V181 HydrophobicContact CB-CG1 4.26Å
110	S	64.8	Low	79.2	Confident	62 Å²	62	50.9 Å²	50.9	43%	0.434	28%	0.281	S	S	.	.	S	Bend	trans	-69.2	-25.8	176.4	45.8	0	0	0	0	113.1	G78	G78-S110 PolarHBondContact O-N 3.42Å; G78-S110 PolarHBondContact O-OG 3.06Å; G78-S110 VanDerWaalsContact O-OG 3.08Å
111	S	65.8	Low	79.3	Confident	17 Å²	17	44.2 Å²	44.2	12%	0.119	25%	0.252	C	S	.	.			trans	-96.3	85.8	174.9	46.6	0	0	0	0	110.5	L109 S182 D183	L109-S111 VanDerWaalsContact C-N 3.26Å; L109-S111 PolarHBondContact O-N 2.88Å; S111-S182 PolarHBondContact O-N 3.1Å; S111-D183 WeakPolarHBondContact CB-OD1 3.03Å; S111-D183 PolarHBondContact OG-OD1 2.81Å
112	A	73.8	Confident	79.3	Confident	32 Å²	32	47.5 Å²	47.5	26%	0.264	26%	0.261	S	S	.	.			trans	-101.3	130	163.3	0	0	0	0	0	107.9
113	V	81.8	Confident	79	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.2	176.1	-173.6	0	0	0	0	108.3	I115 I180 V184 K209 I211	V113-I115 HydrophobicContact CG1-CD1 4.2Å; V113-I115 HydrophobicContact CG1-CG1 3.79Å; V113-I180 PolarHBondContact N-O 2.84Å; V113-I180 PolarHBondContact O-N 3.44Å; V113-V184 HydrophobicContact CB-CG2 4.32Å; V113-V184 HydrophobicContact CG2-CB 4.43Å; V113-V184 HydrophobicContact CG2-CG2 4.18Å; V113-K209 WeakPolarHBondContact CA-O 3.02Å; V113-I211 HydrophobicContact CB-CG1 4.49Å; V113-I211 HydrophobicContact CG1-CD1 4Å; V113-I211 HydrophobicContact CG1-CG1 3.79Å; V113-I211 HydrophobicContact CG2-CG1 3.81Å
114	D	83.9	Confident	78.1	Confident	77 Å²	77	46 Å²	46	41%	0.412	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.7	170.2	-67.8	-39.8	0	0	0	108.3	K179 T208 K209	D114-K179 WeakPolarHBondContact OD1-CG 3.35Å; D114-T208 CarbonylContact O-C 3.58Å; D114-T208 WeakPolarHBondContact O-CA 3.29Å; D114-K209 PolarHBondContact N-O 3.46Å; D114-K209 PolarHBondContact O-N 3.19Å
115	I	88.8	Confident	77.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.3	-176.9	-56.7	174.1	0	0	0	107.9	V113 T177 M178 I180 L189 L206 E207 T208	V113-I115 HydrophobicContact CG1-CD1 4.2Å; V113-I115 HydrophobicContact CG1-CG1 3.79Å; I115-T177 CarbonylContact O-C 3.55Å; I115-T177 WeakPolarHBondContact O-CA 3.37Å; I115-M178 WeakPolarHBondContact CA-O 3.49Å; I115-M178 HydrophobicContact CB-CB 4.27Å; I115-M178 HydrophobicContact CB-CE 4.25Å; I115-M178 HydrophobicContact CD1-CE 3.53Å; I115-M178 HydrophobicContact CG1-CE 4.46Å; I115-M178 HydrophobicContact CG2-CE 4.2Å; I115-M178 PolarHBondContact N-O 2.02Å; I115-M178 PolarHBondContact O-N 2.91Å; I115-I180 HydrophobicContact CD1-CD1 3.73Å; I115-I180 HydrophobicContact CD1-CG1 4.37Å; I115-L189 HydrophobicContact CD1-CD1 3.94Å; I115-L189 HydrophobicContact CD1-CD2 3.96Å; I115-L206 HydrophobicContact CG2-CB 4.34Å; I115-L206 HydrophobicContact CG2-CD2 4.29Å; I115-E207 CarbonylContact C-O 3.54Å; I115-E207 WeakPolarHBondContact CA-O 3.02Å; I115-T208 HydrophobicContact CD1-CG2 4.44Å; I115-T208 HydrophobicContact CG1-CG2 4Å; I115-T208 HydrophobicContact CG2-CG2 4.38Å
116	T	89.8	Confident	77.2	Confident	63 Å²	63	48.1 Å²	48.1	39%	0.387	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.9	169.4	60.9	0	0	0	0	107.9	T177 L206 E207	T116-T177 HydrophobicContact CG2-CG2 4.25Å; T116-L206 CarbonylContact O-C 3.59Å; T116-L206 WeakPolarHBondContact O-CA 3.41Å; T116-E207 PolarHBondContact N-O 3.19Å; T116-E207 PolarHBondContact O-N 2.84Å; T116-E207 WeakPolarHBondContact OG1-CB 3.37Å; T116-E207 PolarHBondContact OG1-O 2.91Å
117	G	89.4	Confident	76.5	Confident	7 Å²	7	50.5 Å²	50.5	7%	0.072	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.1	-174.5	0	0	0	0	0	111.5	D175 F176 T205	G117-D175 CarbonylContact O-C 3.59Å; G117-D175 WeakPolarHBondContact O-CA 3.31Å; G117-F176 PolarHBondContact N-O 3.22Å; G117-F176 VanDerWaalsContact O-CD1 3.3Å; G117-F176 WeakPolarHBondContact O-CD1 3.35Å; G117-F176 PolarHBondContact O-N 3.4Å; G117-T205 CarbonylContact C-O 3.58Å; G117-T205 WeakPolarHBondContact CA-O 3.06Å
118	R	89.2	Confident	75.8	Confident	134 Å²	134	55.2 Å²	55.2	51%	0.506	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.1	170.7	178.4	172.5	-71.8	167.4	-0.1	108.4	I173 V174 D175 M204 T205	R118-I173 HydrophobicContact CG-CG2 3.4Å; R118-V174 CarbonylContact C-O 3.58Å; R118-V174 WeakPolarHBondContact CA-O 3.41Å; R118-D175 WeakPolarHBondContact CG-OD1 3.27Å; R118-D175 IonicContact CZ-OD1 2.77Å; R118-D175 IonicContact NE-OD1 3.53Å; R118-D175 PolarHBondContact NE-OD1 3.01Å; R118-D175 IonicContact NH2-OD1 3.69Å; R118-D175 IonicContact NH2-OD2 2.95Å; R118-M204 CarbonylContact O-C 3.47Å; R118-M204 WeakPolarHBondContact O-CA 3.36Å; R118-T205 PolarHBondContact N-O 3.41Å; R118-T205 PolarHBondContact O-N 3.45Å
119	F	88.4	Confident	75.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.8	-179.6	-171.5	-133.6	0	0	0	110.9	L121 I173 V174 F176 T197 L200 K203 M204	F119-L121 HydrophobicContact CD1-CD2 3.9Å; F119-L121 HydrophobicContact CD1-CG 3.87Å; F119-L121 HydrophobicContact CE1-CD2 3.3Å; F119-L121 HydrophobicContact CE1-CG 3.77Å; F119-L121 HydrophobicContact CZ-CD2 4.05Å; F119-I173 CarbonylContact O-C 3.46Å; F119-I173 WeakPolarHBondContact O-CA 3.38Å; F119-V174 HydrophobicContact CB-CB 4.44Å; F119-V174 PolarHBondContact N-O 2.73Å; F119-V174 PolarHBondContact O-N 2.89Å; F119-F176 HydrophobicContact CB-CE1 4.21Å; F119-T197 HydrophobicContact CD2-CG2 4.43Å; F119-T197 HydrophobicContact CE2-CG2 3.66Å; F119-T197 HydrophobicContact CZ-CG2 4.38Å; F119-L200 HydrophobicContact CE1-CB 3.67Å; F119-L200 HydrophobicContact CE1-CD1 3.72Å; F119-L200 HydrophobicContact CE1-CG 4.36Å; F119-L200 HydrophobicContact CZ-CB 3.8Å; F119-L200 HydrophobicContact CZ-CD1 4.49Å; F119-K203 CarbonylContact C-O 3.58Å; F119-K203 WeakPolarHBondContact CD2-O 3.35Å; F119-M204 HydrophobicContact CB-CE 3.95Å; F119-M204 HydrophobicContact CD1-CE 4.26Å; F119-M204 HydrophobicContact CD2-CB 3.76Å; F119-M204 HydrophobicContact CD2-CE 3.39Å; F119-M204 HydrophobicContact CD2-CG 4.14Å; F119-M204 HydrophobicContact CE2-CB 4.31Å; F119-M204 HydrophobicContact CE2-CE 3.95Å; F119-M204 HydrophobicContact CG-CE 3.61Å
120	T	86.4	Confident	75.6	Confident	49 Å²	49	53.1 Å²	53.1	30%	0.301	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	107.8	177	-52.6	0	0	0	0	108.2	I173 G202 K203	T120-I173 HydrophobicContact CG2-CG1 4.24Å; T120-G202 CarbonylContact O-C 3.59Å; T120-G202 WeakPolarHBondContact O-CA 3.09Å; T120-K203 PolarHBondContact N-O 2.02Å; T120-K203 PolarHBondContact O-N 2.88Å
121	L	83.3	Confident	75.6	Confident	9 Å²	9	55 Å²	55	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.5	178.6	-72.6	155.6	0	0	0	110.3	F119 F126 L145 V172 V174 L200	F119-L121 HydrophobicContact CD1-CD2 3.9Å; F119-L121 HydrophobicContact CD1-CG 3.87Å; F119-L121 HydrophobicContact CE1-CD2 3.3Å; F119-L121 HydrophobicContact CE1-CG 3.77Å; F119-L121 HydrophobicContact CZ-CD2 4.05Å; L121-F126 HydrophobicContact CD1-CD2 4.34Å; L121-F126 HydrophobicContact CD1-CG 4.4Å; L121-F126 HydrophobicContact CD2-CD2 4.47Å; L121-F126 HydrophobicContact CD2-CE2 4.35Å; L121-L145 HydrophobicContact CD1-CD1 4.23Å; L121-L145 HydrophobicContact CD1-CD2 4.07Å; L121-L145 HydrophobicContact CD2-CD1 4.49Å; L121-V172 HydrophobicContact CB-CB 3.89Å; L121-V172 HydrophobicContact CB-CG1 3.67Å; L121-V172 HydrophobicContact CD1-CG1 3.46Å; L121-V172 VanDerWaalsContact CD1-CG1 3.46Å; L121-V172 HydrophobicContact CG-CG1 4.17Å; L121-V172 PolarHBondContact N-O 3.17Å; L121-V174 HydrophobicContact CD1-CG2 3.63Å; L121-V174 HydrophobicContact CG-CG2 4.5Å; L121-L200 HydrophobicContact CD2-CB 3.81Å; L121-L200 HydrophobicContact CD2-CD1 4.46Å; L121-L200 HydrophobicContact CD2-CD2 4.49Å; L121-L200 HydrophobicContact CD2-CG 4.49Å
122	E	72.5	Confident	75.8	Confident	104 Å²	104	58.3 Å²	58.3	49%	0.486	33%	0.33	S	S	.	.			trans	-102.7	93.6	174.6	-67.5	179.5	178.9	0	0	108.8	T201	E122-T201 HydrophobicContact CB-CG2 4.32Å; E122-T201 WeakPolarHBondContact CB-O 3.3Å; E122-T201 PolarHBondContact N-O 2.03Å
123	G	65.6	Low	75.6	Confident	37 Å²	37	62.6 Å²	62.6	38%	0.381	34%	0.343	S	S	.	.			trans	172.2	134.1	176.3	0	0	0	0	0	114.7	E125	G123-E125 PolarHBondContact O-N 3.23Å; G123-E125 VanDerWaalsContact O-N 3.14Å
124	A	58.8	Low	75.2	Confident	79 Å²	79	69.5 Å²	69.5	65%	0.653	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.3	179.6	0	0	0	0	0	114.1	F126	A124-F126 PolarHBondContact O-N 2.94Å
125	E	65.4	Low	74.8	Confident	163 Å²	163	66.9 Å²	66.9	76%	0.762	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.1	-177.7	-62.1	-172.8	168	0	0	113.4	G123	G123-E125 PolarHBondContact O-N 3.23Å; G123-E125 VanDerWaalsContact O-N 3.14Å
126	F	69.2	Low	74.1	Confident	32 Å²	32	69.5 Å²	69.5	14%	0.14	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-14.5	-177.6	-65.7	-75	0	0	0	113.7	L121 A124 S128 C129 L130 V172	L121-F126 HydrophobicContact CD1-CD2 4.34Å; L121-F126 HydrophobicContact CD1-CG 4.4Å; L121-F126 HydrophobicContact CD2-CD2 4.47Å; L121-F126 HydrophobicContact CD2-CE2 4.35Å; A124-F126 PolarHBondContact O-N 2.94Å; F126-S128 VanDerWaalsContact C-N 3.35Å; F126-S128 PolarHBondContact O-N 3.42Å; F126-C129 PolarHBondContact O-N 2.98Å; F126-L130 HydrophobicContact CB-CD1 3.97Å; F126-L130 WeakPolarHBondContact O-CG 3.09Å; F126-L130 PolarHBondContact O-N 2.82Å; F126-V172 HydrophobicContact CB-CB 4.47Å; F126-V172 HydrophobicContact CB-CG1 3.47Å; F126-V172 VanDerWaalsContact CB-CG1 3.47Å; F126-V172 HydrophobicContact CB-CG2 4.18Å; F126-V172 HydrophobicContact CG-CG1 4.36Å
127	E	66.1	Low	73.3	Confident	117 Å²	117	70.7 Å²	70.7	55%	0.547	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.9	-172.6	-164.9	170.4	-170.9	0	0	112.8	T131 V172	E127-T131 PolarHBondContact O-OG1 3.37Å; E127-T131 VanDerWaalsContact O-OG1 3.13Å; E127-V172 HydrophobicContact CB-CG2 4.08Å
128	S	64.3	Low	72.7	Confident	98 Å²	98	71.9 Å²	71.9	69%	0.685	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-24	179.7	63	0	0	0	0	114.4	F126 T131	F126-S128 VanDerWaalsContact C-N 3.35Å; F126-S128 PolarHBondContact O-N 3.42Å; S128-T131 PolarHBondContact O-OG1 3.32Å
129	C	70.8	Confident	72.2	Confident	10 Å²	10	72 Å²	72	7%	0.068	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.5	-173.8	69.3	0	0	0	0	114.5	F126 Y138 C141	F126-C129 PolarHBondContact O-N 2.98Å; C129-Y138 VanDerWaalsContact O-CA 3.32Å; C129-Y138 WeakPolarHBondContact O-CA 3.47Å; C129-C141 HydrophobicContact CB-CB 3.9Å; C129-C141 WeakPolarHBondContact CB-SG 3.4Å; C129-C141 WeakPolarHBondContact SG-CB 3.28Å; C129-C141 CovalentContact SG-SG 2.04Å; C129-C141 PolarHBondContact SG-SG 2.84Å
130	L	69.8	Low	71.7	Confident	22 Å²	22	77 Å²	77	12%	0.115	44%	0.439	C	S	.	.	S	Bend	trans	-97.6	4.8	-177.7	-65.5	173.3	0	0	0	114	F126 Y138 C141 F167 V172	F126-L130 HydrophobicContact CB-CD1 3.97Å; F126-L130 WeakPolarHBondContact O-CG 3.09Å; F126-L130 PolarHBondContact O-N 2.82Å; L130-Y138 HydrophobicContact CD2-CD2 4.09Å; L130-Y138 HydrophobicContact CD2-CE2 4.19Å; L130-C141 HydrophobicContact CD2-CB 4.01Å; L130-F167 HydrophobicContact CD1-CD1 3.75Å; L130-F167 HydrophobicContact CD1-CE1 3.75Å; L130-F167 HydrophobicContact CD2-CD1 4Å; L130-F167 HydrophobicContact CD2-CD2 4.37Å; L130-F167 HydrophobicContact CD2-CE1 3.69Å; L130-F167 HydrophobicContact CD2-CE2 4.09Å; L130-F167 HydrophobicContact CD2-CG 4.32Å; L130-F167 HydrophobicContact CD2-CZ 3.73Å; L130-F167 HydrophobicContact CG-CD1 4.32Å; L130-F167 HydrophobicContact CG-CE1 4.33Å; L130-V172 HydrophobicContact CD1-CG1 3.64Å
131	T	64.7	Low	71.3	Confident	100 Å²	100	76 Å²	76	61%	0.613	43%	0.433	S	S	*	.	S	Bend	trans	-78.7	-34.9	-174.7	-19.1	0	0	0	0	113.6	E127 S128	E127-T131 PolarHBondContact O-OG1 3.37Å; E127-T131 VanDerWaalsContact O-OG1 3.13Å; S128-T131 PolarHBondContact O-OG1 3.32Å
132	D	69.7	Low	71.3	Confident	87 Å²	87	77.4 Å²	77.4	47%	0.465	44%	0.44	S	S	.	.			trans	-120.8	107.3	-179.3	178.6	7.2	0	0	0	112.2	N134 S135 Y138	D132-N134 PolarHBondContact O-N 3.08Å; D132-N134 VanDerWaalsContact O-N 3.13Å; D132-N134 PolarHBondContact OD1-N 2.77Å; D132-S135 WeakPolarHBondContact O-CB 3.46Å; D132-S135 PolarHBondContact O-N 2.8Å; D132-S135 VanDerWaalsContact O-N 3.12Å; D132-S135 PolarHBondContact O-OG 2.85Å; D132-Y138 WeakPolarHBondContact O-CB 3.37Å
133	K	71	Confident	71.7	Confident	122 Å²	122	77 Å²	77	53%	0.53	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.7	-179.5	-69.2	-174.4	177.8	-178.7	0	114.3	Y138	K133-Y138 HydrophobicContact CB-CE1 4.45Å; K133-Y138 HydrophobicContact CG-CE2 4.04Å; K133-Y138 VanDerWaalsContact O-CD1 3.31Å; K133-Y138 WeakPolarHBondContact O-CD1 2.98Å
134	N	71.8	Confident	72.4	Confident	148 Å²	148	77 Å²	77	79%	0.791	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.1	-177.6	-67.2	-31.6	0	0	0	113.2	D132	D132-N134 PolarHBondContact O-N 3.08Å; D132-N134 VanDerWaalsContact O-N 3.13Å; D132-N134 PolarHBondContact OD1-N 2.77Å
135	S	76.1	Confident	73.6	Confident	22 Å²	22	73.3 Å²	73.3	15%	0.154	41%	0.41	C	S	.	.	S	Bend	trans	-73.5	147.8	-178.6	71.7	0	0	0	0	112.7	D132 T137 Y138 K139	D132-S135 WeakPolarHBondContact O-CB 3.46Å; D132-S135 PolarHBondContact O-N 2.8Å; D132-S135 VanDerWaalsContact O-N 3.12Å; D132-S135 PolarHBondContact O-OG 2.85Å; S135-T137 VanDerWaalsContact CB-OG1 3.31Å; S135-T137 WeakPolarHBondContact CB-OG1 3.35Å; S135-T137 PolarHBondContact O-N 3.27Å; S135-T137 PolarHBondContact OG-OG1 3.09Å; S135-Y138 WeakPolarHBondContact O-CB 3.35Å; S135-Y138 PolarHBondContact O-N 3.04Å; S135-Y138 VanDerWaalsContact OG-CB 3.24Å; S135-Y138 WeakPolarHBondContact OG-CB 3.45Å; S135-Y138 PolarHBondContact OG-N 3.08Å; S135-K139 PolarHBondContact O-N 3.35Å
136	G	74.9	Confident	74.5	Confident	56 Å²	56	66.6 Å²	66.6	58%	0.577	38%	0.379	S	S	*	.	H	α-helix	trans	-62.1	-32.4	172.1	0	0	0	0	0	112.5	K139 V140	G136-K139 PolarHBondContact O-N 2.96Å; G136-V140 WeakPolarHBondContact O-CG2 3.46Å; G136-V140 PolarHBondContact O-N 2.92Å
137	T	72	Confident	75.1	Confident	88 Å²	88	68.2 Å²	68.2	54%	0.54	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-38.8	174.4	38.1	0	0	0	0	112.7	S135 V140 C141	S135-T137 VanDerWaalsContact CB-OG1 3.31Å; S135-T137 WeakPolarHBondContact CB-OG1 3.35Å; S135-T137 PolarHBondContact O-N 3.27Å; S135-T137 PolarHBondContact OG-OG1 3.09Å; T137-V140 PolarHBondContact O-N 2.86Å; T137-C141 PolarHBondContact O-N 2.91Å
138	Y	77.7	Confident	75.9	Confident	33 Å²	33	67.2 Å²	67.2	13%	0.129	38%	0.383	C	S	.	.	H	α-helix	trans	-62.8	-45.1	174.2	172.3	-89.3	0	0	0	111.9	C129 L130 D132 K133 S135 V140 C141 H142 F167	C129-Y138 VanDerWaalsContact O-CA 3.32Å; C129-Y138 WeakPolarHBondContact O-CA 3.47Å; L130-Y138 HydrophobicContact CD2-CD2 4.09Å; L130-Y138 HydrophobicContact CD2-CE2 4.19Å; D132-Y138 WeakPolarHBondContact O-CB 3.37Å; K133-Y138 HydrophobicContact CB-CE1 4.45Å; K133-Y138 HydrophobicContact CG-CE2 4.04Å; K133-Y138 VanDerWaalsContact O-CD1 3.31Å; K133-Y138 WeakPolarHBondContact O-CD1 2.98Å; S135-Y138 WeakPolarHBondContact O-CB 3.35Å; S135-Y138 PolarHBondContact O-N 3.04Å; S135-Y138 VanDerWaalsContact OG-CB 3.24Å; S135-Y138 WeakPolarHBondContact OG-CB 3.45Å; S135-Y138 PolarHBondContact OG-N 3.08Å; Y138-V140 VanDerWaalsContact C-N 3.28Å; Y138-V140 PolarHBondContact O-N 2.81Å; Y138-C141 PolarHBondContact O-N 3.32Å; Y138-H142 HydrophobicContact CE1-CB 4.26Å; Y138-H142 WeakPolarHBondContact O-CB 3.05Å; Y138-H142 PolarHBondContact O-N 3.24Å; Y138-F167 AromaticContact CE2-CD2 3.58Å; Y138-F167 HydrophobicContact CE2-CD2 3.58Å; Y138-F167 AromaticContact CE2-CE2 3.71Å; Y138-F167 HydrophobicContact CE2-CE2 3.71Å; Y138-F167 HydrophobicContact CE2-CG 4.5Å; Y138-F167 AromaticContact CZ-CD2 3.83Å; Y138-F167 AromaticContact CZ-CE2 3.72Å; Y138-F167 VanDerWaalsContact OH-CD2 3.29Å; Y138-F167 WeakPolarHBondContact OH-CD2 3.33Å; Y138-F167 VanDerWaalsContact OH-CE2 3.28Å; Y138-F167 WeakPolarHBondContact OH-CE2 3.27Å
139	K	77.1	Confident	76.9	Confident	135 Å²	135	62.6 Å²	62.6	59%	0.587	35%	0.351	S	S	*	.	H	α-helix	trans	-60.8	-38.6	178.6	-70.5	-176.4	-179.6	177.4	0	112	S135 G136 N143	S135-K139 PolarHBondContact O-N 3.35Å; G136-K139 PolarHBondContact O-N 2.96Å; K139-N143 VanDerWaalsContact O-CB 3.23Å; K139-N143 WeakPolarHBondContact O-CB 3.35Å; K139-N143 PolarHBondContact O-N 2.87Å; K139-N143 PolarHBondContact O-ND2 2.02Å
140	V	79.1	Confident	77.5	Confident	107 Å²	107	66 Å²	66	65%	0.648	36%	0.364	S	S	*	.	H	α-helix	trans	-67.7	-48.6	176.9	175.4	0	0	0	0	111	G136 T137 Y138 G144	G136-V140 WeakPolarHBondContact O-CG2 3.46Å; G136-V140 PolarHBondContact O-N 2.92Å; T137-V140 PolarHBondContact O-N 2.86Å; Y138-V140 VanDerWaalsContact C-N 3.28Å; Y138-V140 PolarHBondContact O-N 2.81Å; V140-G144 PolarHBondContact O-N 2.79Å
141	C	78.3	Confident	78	Confident	26 Å²	26	67 Å²	67	18%	0.176	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-45.2	177.5	-90.1	0	0	0	0	112.7	C129 L130 T137 Y138 G144 L145	C129-C141 HydrophobicContact CB-CB 3.9Å; C129-C141 WeakPolarHBondContact CB-SG 3.4Å; C129-C141 WeakPolarHBondContact SG-CB 3.28Å; C129-C141 CovalentContact SG-SG 2.04Å; C129-C141 PolarHBondContact SG-SG 2.84Å; L130-C141 HydrophobicContact CD2-CB 4.01Å; T137-C141 PolarHBondContact O-N 2.91Å; Y138-C141 PolarHBondContact O-N 3.32Å; C141-G144 PolarHBondContact O-N 2.95Å; C141-L145 WeakPolarHBondContact O-CB 3.46Å; C141-L145 PolarHBondContact O-N 2.95Å
142	H	82.5	Confident	78.9	Confident	39 Å²	39	63.7 Å²	63.7	18%	0.181	35%	0.347	C	S	.	.	H	α-helix	trans	-58.8	-51.8	176.2	172.8	87.3	0	0	0	111.5	Y138 G144 L145 L146 F167	Y138-H142 HydrophobicContact CE1-CB 4.26Å; Y138-H142 WeakPolarHBondContact O-CB 3.05Å; Y138-H142 PolarHBondContact O-N 3.24Å; H142-G144 VanDerWaalsContact C-N 3.35Å; H142-G144 PolarHBondContact O-N 2.76Å; H142-L145 PolarHBondContact O-N 3.17Å; H142-L146 WeakPolarHBondContact O-CB 3.02Å; H142-L146 PolarHBondContact O-N 2.92Å; H142-F167 HydrophobicContact CB-CE2 4.46Å; H142-F167 HydrophobicContact CB-CZ 4.46Å; H142-F167 AromaticContact ND1-CE2 3.53Å; H142-F167 AromaticContact ND1-CZ 3.76Å
143	N	81.6	Confident	79.7	Confident	96 Å²	96	59.6 Å²	59.6	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-38.6	179.8	-73.4	-21.2	0	0	0	111.8	K139 N147	K139-N143 VanDerWaalsContact O-CB 3.23Å; K139-N143 WeakPolarHBondContact O-CB 3.35Å; K139-N143 PolarHBondContact O-N 2.87Å; K139-N143 PolarHBondContact O-ND2 2.02Å; N143-N147 VanDerWaalsContact O-CB 3.22Å; N143-N147 WeakPolarHBondContact O-CB 3.49Å; N143-N147 PolarHBondContact O-N 3.03Å
144	G	80.6	Confident	80.2	Confident	37 Å²	37	54 Å²	54	38%	0.381	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-46.2	176.7	0	0	0	0	0	112.4	V140 C141 H142 N147 K148	V140-G144 PolarHBondContact O-N 2.79Å; C141-G144 PolarHBondContact O-N 2.95Å; H142-G144 VanDerWaalsContact C-N 3.35Å; H142-G144 PolarHBondContact O-N 2.76Å; G144-N147 PolarHBondContact O-N 3.33Å; G144-K148 WeakPolarHBondContact O-CG 3.31Å; G144-K148 PolarHBondContact O-N 3.14Å; G144-K148 VanDerWaalsContact O-N 3.11Å
145	L	83	Confident	80.6	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-49.1	176	179.8	65.9	0	0	0	111.5	L121 C141 H142 N147 K148 M149 I164 F167 V174 L200	L121-L145 HydrophobicContact CD1-CD1 4.23Å; L121-L145 HydrophobicContact CD1-CD2 4.07Å; L121-L145 HydrophobicContact CD2-CD1 4.49Å; C141-L145 WeakPolarHBondContact O-CB 3.46Å; C141-L145 PolarHBondContact O-N 2.95Å; H142-L145 PolarHBondContact O-N 3.17Å; L145-N147 PolarHBondContact O-N 2.85Å; L145-K148 PolarHBondContact O-N 3.37Å; L145-K148 VanDerWaalsContact O-N 3.14Å; L145-M149 HydrophobicContact CG-SD 4.16Å; L145-M149 WeakPolarHBondContact O-CG 3.3Å; L145-M149 PolarHBondContact O-N 3.01Å; L145-I164 HydrophobicContact CD2-CD1 4.04Å; L145-I164 HydrophobicContact CG-CD1 4.23Å; L145-F167 HydrophobicContact CD2-CE1 3.94Å; L145-F167 HydrophobicContact CD2-CZ 4.38Å; L145-V174 HydrophobicContact CD2-CB 4.39Å; L145-V174 HydrophobicContact CD2-CG1 3.93Å; L145-V174 HydrophobicContact CD2-CG2 3.74Å; L145-L200 HydrophobicContact CD1-CD1 3.66Å; L145-L200 HydrophobicContact CD1-CD2 4.24Å
146	L	84.4	Confident	80.8	Confident	22 Å²	22	48.7 Å²	48.7	12%	0.115	27%	0.268	C	S	.	.	H	α-helix	trans	-56.2	-40.4	177.8	-177.1	67.8	0	0	0	111.4	H142 M149 K150 L162 I164	H142-L146 WeakPolarHBondContact O-CB 3.02Å; H142-L146 PolarHBondContact O-N 2.92Å; L146-M149 PolarHBondContact O-N 3Å; L146-K150 HydrophobicContact CG-CD 4.38Å; L146-K150 WeakPolarHBondContact O-CB 3.3Å; L146-K150 WeakPolarHBondContact O-CG 3.14Å; L146-K150 PolarHBondContact O-N 3.03Å; L146-L162 HydrophobicContact CD1-CD2 3.32Å; L146-I164 HydrophobicContact CB-CD1 3.96Å; L146-I164 HydrophobicContact CD1-CD1 4.12Å; L146-I164 HydrophobicContact CD1-CG1 4.01Å
147	N	82.6	Confident	80.9	Confident	65 Å²	65	52.9 Å²	52.9	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-67.1	-44.1	178.5	-160.3	33	0	0	0	111.8	N143 G144 L145 M149 K150 I151	N143-N147 VanDerWaalsContact O-CB 3.22Å; N143-N147 WeakPolarHBondContact O-CB 3.49Å; N143-N147 PolarHBondContact O-N 3.03Å; G144-N147 PolarHBondContact O-N 3.33Å; L145-N147 PolarHBondContact O-N 2.85Å; N147-M149 VanDerWaalsContact C-N 3.33Å; N147-M149 PolarHBondContact O-N 3.48Å; N147-K150 PolarHBondContact O-N 3.39Å; N147-I151 VanDerWaalsContact O-CG1 3.32Å; N147-I151 WeakPolarHBondContact O-CG1 3.42Å; N147-I151 PolarHBondContact O-N 3.45Å
148	K	82.3	Confident	81	Confident	97 Å²	97	48.8 Å²	48.8	42%	0.422	24%	0.242	S	C	.	.	H	α-helix	trans	-59.7	-41.5	174.6	-72.8	-178.5	178.9	-174.5	0	112.2	G144 L145 I151 L200	G144-K148 WeakPolarHBondContact O-CG 3.31Å; G144-K148 PolarHBondContact O-N 3.14Å; G144-K148 VanDerWaalsContact O-N 3.11Å; L145-K148 PolarHBondContact O-N 3.37Å; L145-K148 VanDerWaalsContact O-N 3.14Å; K148-I151 PolarHBondContact O-N 3.03Å; K148-L200 HydrophobicContact CD-CD2 3.61Å
149	M	85.6	Confident	81.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.5	-42.3	175.8	-64.5	176.5	75.9	0	0	112.1	L145 L146 N147 I151 E152 Y153 L162 I164 F176 L196	L145-M149 HydrophobicContact CG-SD 4.16Å; L145-M149 WeakPolarHBondContact O-CG 3.3Å; L145-M149 PolarHBondContact O-N 3.01Å; L146-M149 PolarHBondContact O-N 3Å; N147-M149 VanDerWaalsContact C-N 3.33Å; N147-M149 PolarHBondContact O-N 3.48Å; M149-I151 VanDerWaalsContact C-N 3.34Å; M149-I151 PolarHBondContact O-N 2.92Å; M149-E152 PolarHBondContact O-N 3.11Å; M149-Y153 WeakPolarHBondContact O-CD2 3.35Å; M149-Y153 PolarHBondContact O-N 2.93Å; M149-L162 HydrophobicContact CB-CD1 4.25Å; M149-L162 HydrophobicContact CB-CD2 4.27Å; M149-I164 HydrophobicContact SD-CD1 4.19Å; M149-I164 HydrophobicContact SD-CG1 4.28Å; M149-F176 HydrophobicContact CE-CB 4.23Å; M149-F176 HydrophobicContact CE-CD1 3.49Å; M149-F176 VanDerWaalsContact CE-CD1 3.49Å; M149-F176 HydrophobicContact CE-CD2 3.76Å; M149-F176 HydrophobicContact CE-CE1 3.57Å; M149-F176 HydrophobicContact CE-CE2 3.84Å; M149-F176 HydrophobicContact CE-CG 3.57Å; M149-F176 HydrophobicContact CE-CZ 3.72Å; M149-L196 HydrophobicContact CB-CD2 4.4Å; M149-L196 HydrophobicContact CG-CD1 4.38Å; M149-L196 HydrophobicContact CG-CD2 4.06Å
150	K	82.8	Confident	81.3	Confident	82 Å²	82	43.8 Å²	43.8	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-63.4	-37.3	176.7	-78.2	-179.9	177.5	-176.7	0	112.5	L146 N147 E152 S154	L146-K150 HydrophobicContact CG-CD 4.38Å; L146-K150 WeakPolarHBondContact O-CB 3.3Å; L146-K150 WeakPolarHBondContact O-CG 3.14Å; L146-K150 PolarHBondContact O-N 3.03Å; N147-K150 PolarHBondContact O-N 3.39Å; K150-E152 VanDerWaalsContact C-N 3.27Å; K150-E152 PolarHBondContact O-N 3.12Å; K150-S154 WeakPolarHBondContact O-CB 3.36Å; K150-S154 PolarHBondContact O-N 3.29Å; K150-S154 PolarHBondContact O-OG 2.66Å
151	I	81.1	Confident	81.5	Confident	43 Å²	43	41.4 Å²	41.4	22%	0.221	21%	0.212	C	C	.	.	H	α-helix	trans	-57.1	-42.8	177.3	-72.1	164.5	0	0	0	110.9	N147 K148 M149 K155	N147-I151 VanDerWaalsContact O-CG1 3.32Å; N147-I151 WeakPolarHBondContact O-CG1 3.42Å; N147-I151 PolarHBondContact O-N 3.45Å; K148-I151 PolarHBondContact O-N 3.03Å; M149-I151 VanDerWaalsContact C-N 3.34Å; M149-I151 PolarHBondContact O-N 2.92Å; I151-K155 WeakPolarHBondContact O-CE 3.26Å
152	E	83.7	Confident	81.8	Confident	31 Å²	31	40.7 Å²	40.7	15%	0.145	21%	0.206	C	C	.	.	H	α-helix	trans	-81.4	-48	-179.4	-66.5	-50.3	135.5	0	0	113.4	M149 K150 K155 L196	M149-E152 PolarHBondContact O-N 3.11Å; K150-E152 VanDerWaalsContact C-N 3.27Å; K150-E152 PolarHBondContact O-N 3.12Å; E152-K155 VanDerWaalsContact CD-NZ 3.25Å; E152-K155 WeakPolarHBondContact O-CB 3.15Å; E152-K155 PolarHBondContact O-N 2.77Å; E152-K155 IonicContact OE1-NZ 3.97Å; E152-K155 PolarHBondContact OE1-NZ 2.72Å; E152-K155 IonicContact OE2-NZ 2.89Å; E152-K155 PolarHBondContact OE2-NZ 3.49Å; E152-L196 HydrophobicContact CB-CB 4.37Å; E152-L196 HydrophobicContact CB-CD1 4.49Å; E152-L196 HydrophobicContact CG-CB 4.34Å; E152-L196 HydrophobicContact CG-CD1 4.25Å
153	Y	85.4	Confident	81.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-76.5	-26.5	-174.7	-74.7	-57.7	0	0	0	114.6	M149 K155 I156 L162 F176 M178 L189 K192 S193 L196 M204	M149-Y153 WeakPolarHBondContact O-CD2 3.35Å; M149-Y153 PolarHBondContact O-N 2.93Å; Y153-K155 PolarHBondContact O-N 2.69Å; Y153-K155 VanDerWaalsContact O-N 3.14Å; Y153-I156 HydrophobicContact CD1-CD1 3.83Å; Y153-I156 WeakPolarHBondContact O-CB 3.22Å; Y153-I156 WeakPolarHBondContact O-CG1 3.1Å; Y153-I156 PolarHBondContact O-N 2.57Å; Y153-L162 HydrophobicContact CD2-CD1 3.65Å; Y153-L162 HydrophobicContact CE2-CD1 4.5Å; Y153-L162 HydrophobicContact CG-CD1 4.24Å; Y153-F176 HydrophobicContact CE2-CE2 4.27Å; Y153-F176 HydrophobicContact CE2-CZ 4.29Å; Y153-M178 HydrophobicContact CD1-CE 3.71Å; Y153-M178 HydrophobicContact CD1-SD 3.86Å; Y153-M178 HydrophobicContact CD2-SD 4.2Å; Y153-M178 HydrophobicContact CE1-CE 3.98Å; Y153-M178 HydrophobicContact CG-CE 4.08Å; Y153-M178 HydrophobicContact CG-SD 3.64Å; Y153-L189 HydrophobicContact CE1-CD1 4.09Å; Y153-K192 HydrophobicContact CD1-CB 4.25Å; Y153-K192 HydrophobicContact CE1-CB 4.28Å; Y153-S193 PolarHBondContact OH-OG 2.87Å; Y153-L196 HydrophobicContact CD2-CD2 4.04Å; Y153-L196 HydrophobicContact CE2-CD2 3.34Å; Y153-M204 PolarHBondContact OH-SD 3.18Å
154	S	80.9	Confident	82.1	Confident	4 Å²	4	37.5 Å²	37.5	3%	0.028	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.6	174.8	69.9	0	0	0	0	113	S22 T23 K150 I156	S22-S154 WeakPolarHBondContact CB-OG 3.28Å; S22-S154 WeakPolarHBondContact OG-CB 3.29Å; S22-S154 PolarHBondContact OG-OG 3.2Å; T23-S154 WeakPolarHBondContact CA-O 3.34Å; T23-S154 PolarHBondContact N-O 2.63Å; T23-S154 VanDerWaalsContact O-O 3.09Å; T23-S154 PolarHBondContact OG1-O 3.2Å; K150-S154 WeakPolarHBondContact O-CB 3.36Å; K150-S154 PolarHBondContact O-N 3.29Å; K150-S154 PolarHBondContact O-OG 2.66Å; S154-I156 PolarHBondContact O-N 3.23Å
155	K	80.8	Confident	82.3	Confident	58 Å²	58	39.8 Å²	39.8	25%	0.252	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.4	171.7	-63.3	167.6	-174.2	164.9	0	112.6	N21 I151 E152 Y153 K192	N21-K155 VanDerWaalsContact O-CG 3.3Å; N21-K155 WeakPolarHBondContact O-CG 3.06Å; I151-K155 WeakPolarHBondContact O-CE 3.26Å; E152-K155 VanDerWaalsContact CD-NZ 3.25Å; E152-K155 WeakPolarHBondContact O-CB 3.15Å; E152-K155 PolarHBondContact O-N 2.77Å; E152-K155 IonicContact OE1-NZ 3.97Å; E152-K155 PolarHBondContact OE1-NZ 2.72Å; E152-K155 IonicContact OE2-NZ 2.89Å; E152-K155 PolarHBondContact OE2-NZ 3.49Å; Y153-K155 PolarHBondContact O-N 2.69Å; Y153-K155 VanDerWaalsContact O-N 3.14Å; K155-K192 HydrophobicContact CB-CD 4.37Å
156	I	80.9	Confident	82.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.226	C	C	.	.	S	Bend	trans	-83.9	127.8	179.5	-56.5	176	0	0	0	110.1	T23 Y153 S154 G158 F159 I180 V184 L189 K192	T23-I156 PolarHBondContact OG1-O 2.72Å; Y153-I156 HydrophobicContact CD1-CD1 3.83Å; Y153-I156 WeakPolarHBondContact O-CB 3.22Å; Y153-I156 WeakPolarHBondContact O-CG1 3.1Å; Y153-I156 PolarHBondContact O-N 2.57Å; S154-I156 PolarHBondContact O-N 3.23Å; I156-G158 PolarHBondContact O-N 2.8Å; I156-F159 VanDerWaalsContact O-CB 3.31Å; I156-F159 WeakPolarHBondContact O-CB 3.26Å; I156-F159 PolarHBondContact O-N 2.85Å; I156-F159 VanDerWaalsContact O-N 3.14Å; I156-I180 HydrophobicContact CB-CD1 4.41Å; I156-I180 HydrophobicContact CD1-CD1 4.15Å; I156-I180 HydrophobicContact CG2-CD1 3.97Å; I156-V184 HydrophobicContact CG2-CG1 4.48Å; I156-L189 HydrophobicContact CD1-CD1 3.99Å; I156-K192 HydrophobicContact CD1-CB 4.3Å; I156-K192 HydrophobicContact CD1-CG 4.08Å; I156-K192 HydrophobicContact CG1-CG 3.8Å
157	R	76.4	Confident	82.1	Confident	144 Å²	144	44.1 Å²	44.1	54%	0.543	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	130.8	178.7	-171.8	179.8	-177.5	-174.1	1.5	111.1	D56 I180	D56-R157 IonicContact OD2-NH2 3.27Å; D56-R157 PolarHBondContact OD2-NH2 2.65Å; R157-I180 WeakPolarHBondContact O-CG2 3.46Å
158	G	74	Confident	81.7	Confident	3 Å²	3	43 Å²	43	3%	0.031	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	7.2	179.3	0	0	0	0	0	114.8	I156 D160 I180 V181	I156-G158 PolarHBondContact O-N 2.8Å; G158-D160 PolarHBondContact O-N 2.75Å; G158-I180 CarbonylContact O-C 3.49Å; G158-I180 WeakPolarHBondContact O-CA 3.28Å; G158-V181 PolarHBondContact O-N 2.8Å
159	F	81.2	Confident	80.5	Confident	10 Å²	10	45.2 Å²	45.2	4%	0.044	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	125.2	173.2	178.4	-93.7	0	0	0	111.1	M25 I156 L162 M178	M25-F159 PolarHBondContact N-O 3.2Å; I156-F159 VanDerWaalsContact O-CB 3.31Å; I156-F159 WeakPolarHBondContact O-CB 3.26Å; I156-F159 PolarHBondContact O-N 2.85Å; I156-F159 VanDerWaalsContact O-N 3.14Å; F159-L162 HydrophobicContact CE2-CB 3.79Å; F159-L162 HydrophobicContact CE2-CD1 4.34Å; F159-L162 HydrophobicContact CZ-CB 3.61Å; F159-M178 HydrophobicContact CD2-CG 4.28Å; F159-M178 HydrophobicContact CD2-SD 4.04Å; F159-M178 HydrophobicContact CE2-CG 4.03Å; F159-M178 HydrophobicContact CE2-SD 3.85Å
160	D	80.3	Confident	79.1	Confident	52 Å²	52	48.2 Å²	48.2	28%	0.278	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-56.4	-178.1	174.4	59.2	0	0	0	110.7	G158 K179 V181	G158-D160 PolarHBondContact O-N 2.75Å; D160-K179 HydrophobicContact CB-CB 4.49Å; D160-K179 WeakPolarHBondContact CB-O 3.25Å; D160-K179 PolarHBondContact N-O 2.92Å; D160-V181 HydrophobicContact CB-CG2 3.77Å
161	S	82.6	Confident	77.8	Confident	57 Å²	57	47.7 Å²	47.7	40%	0.399	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.8	-176.9	55.8	0	0	0	0	113.4	M178 K179	S161-M178 CarbonylContact O-C 3.44Å; S161-M178 VanDerWaalsContact O-CA 3.28Å; S161-M178 WeakPolarHBondContact O-CA 2.98Å; S161-K179 PolarHBondContact N-O 3.37Å; S161-K179 PolarHBondContact O-N 3.34Å
162	L	84.9	Confident	77.5	Confident	11 Å²	11	46.4 Å²	46.4	6%	0.058	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	128.2	170.4	-174.6	155.3	0	0	0	109	L146 M149 Y153 F159 F176 T177 M178	L146-L162 HydrophobicContact CD1-CD2 3.32Å; M149-L162 HydrophobicContact CB-CD1 4.25Å; M149-L162 HydrophobicContact CB-CD2 4.27Å; Y153-L162 HydrophobicContact CD2-CD1 3.65Å; Y153-L162 HydrophobicContact CE2-CD1 4.5Å; Y153-L162 HydrophobicContact CG-CD1 4.24Å; F159-L162 HydrophobicContact CE2-CB 3.79Å; F159-L162 HydrophobicContact CE2-CD1 4.34Å; F159-L162 HydrophobicContact CZ-CB 3.61Å; L162-F176 HydrophobicContact CG-CD2 4.49Å; L162-T177 WeakPolarHBondContact CA-O 3.34Å; L162-M178 HydrophobicContact CD1-CB 4.43Å; L162-M178 HydrophobicContact CD1-SD 4.07Å; L162-M178 HydrophobicContact CG-CB 4.39Å
163	A	85	Confident	77.4	Confident	49 Å²	49	46.9 Å²	46.9	41%	0.405	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.4	179.1	0	0	0	0	0	110.6	F176 T177	A163-F176 CarbonylContact O-C 3.48Å; A163-F176 VanDerWaalsContact O-CA 3.28Å; A163-F176 WeakPolarHBondContact O-CA 3.03Å; A163-F176 WeakPolarHBondContact O-CB 3.4Å; A163-T177 PolarHBondContact N-O 2.87Å; A163-T177 PolarHBondContact O-N 2.82Å
164	I	85.8	Confident	77.4	Confident	20 Å²	20	46.9 Å²	46.9	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.9	170.3	-65	166.5	0	0	0	107.6	L145 L146 M149 F167 V174 D175 F176	L145-I164 HydrophobicContact CD2-CD1 4.04Å; L145-I164 HydrophobicContact CG-CD1 4.23Å; L146-I164 HydrophobicContact CB-CD1 3.96Å; L146-I164 HydrophobicContact CD1-CD1 4.12Å; L146-I164 HydrophobicContact CD1-CG1 4.01Å; M149-I164 HydrophobicContact SD-CD1 4.19Å; M149-I164 HydrophobicContact SD-CG1 4.28Å; I164-F167 HydrophobicContact CD1-CZ 4.2Å; I164-F167 HydrophobicContact CG2-CD2 4.41Å; I164-F167 HydrophobicContact CG2-CE1 4.19Å; I164-F167 HydrophobicContact CG2-CE2 3.76Å; I164-F167 HydrophobicContact CG2-CZ 3.65Å; I164-V174 HydrophobicContact CB-CG1 4.43Å; I164-V174 HydrophobicContact CD1-CG1 4.13Å; I164-V174 HydrophobicContact CG1-CG1 4.02Å; I164-V174 HydrophobicContact CG2-CG1 3.6Å; I164-D175 WeakPolarHBondContact CG2-O 2.9Å; I164-F176 HydrophobicContact CG1-CB 4.29Å
165	T	84.1	Confident	77.7	Confident	85 Å²	85	48.1 Å²	48.1	52%	0.521	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-43.6	-176	53.8	0	0	0	0	111.8	D175 T177	T165-D175 PolarHBondContact N-O 3Å; T165-D175 VanDerWaalsContact OG1-C 3.27Å; T165-D175 WeakPolarHBondContact OG1-CB 3.42Å; T165-D175 PolarHBondContact OG1-O 2.77Å; T165-T177 HydrophobicContact CG2-CG2 3.68Å
166	Q	82	Confident	78.2	Confident	102 Å²	102	45.4 Å²	45.4	48%	0.477	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.9	-173	-179.6	169.8	-12.4	0	0	112.7	D175	Q166-D175 HydrophobicContact CB-CB 4.32Å; Q166-D175 PolarHBondContact N-O 2.92Å; Q166-D175 PolarHBondContact O-N 2.79Å
167	F	80.7	Confident	78.6	Confident	13 Å²	13	48.1 Å²	48.1	6%	0.057	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.3	163	-61.5	-83.5	0	0	0	108.8	L130 Y138 H142 L145 I164 I173 V174	L130-F167 HydrophobicContact CD1-CD1 3.75Å; L130-F167 HydrophobicContact CD1-CE1 3.75Å; L130-F167 HydrophobicContact CD2-CD1 4Å; L130-F167 HydrophobicContact CD2-CD2 4.37Å; L130-F167 HydrophobicContact CD2-CE1 3.69Å; L130-F167 HydrophobicContact CD2-CE2 4.09Å; L130-F167 HydrophobicContact CD2-CG 4.32Å; L130-F167 HydrophobicContact CD2-CZ 3.73Å; L130-F167 HydrophobicContact CG-CD1 4.32Å; L130-F167 HydrophobicContact CG-CE1 4.33Å; Y138-F167 AromaticContact CE2-CD2 3.58Å; Y138-F167 HydrophobicContact CE2-CD2 3.58Å; Y138-F167 AromaticContact CE2-CE2 3.71Å; Y138-F167 HydrophobicContact CE2-CE2 3.71Å; Y138-F167 HydrophobicContact CE2-CG 4.5Å; Y138-F167 AromaticContact CZ-CD2 3.83Å; Y138-F167 AromaticContact CZ-CE2 3.72Å; Y138-F167 VanDerWaalsContact OH-CD2 3.29Å; Y138-F167 WeakPolarHBondContact OH-CD2 3.33Å; Y138-F167 VanDerWaalsContact OH-CE2 3.28Å; Y138-F167 WeakPolarHBondContact OH-CE2 3.27Å; H142-F167 HydrophobicContact CB-CE2 4.46Å; H142-F167 HydrophobicContact CB-CZ 4.46Å; H142-F167 AromaticContact ND1-CE2 3.53Å; H142-F167 AromaticContact ND1-CZ 3.76Å; L145-F167 HydrophobicContact CD2-CE1 3.94Å; L145-F167 HydrophobicContact CD2-CZ 4.38Å; I164-F167 HydrophobicContact CD1-CZ 4.2Å; I164-F167 HydrophobicContact CG2-CD2 4.41Å; I164-F167 HydrophobicContact CG2-CE1 4.19Å; I164-F167 HydrophobicContact CG2-CE2 3.76Å; I164-F167 HydrophobicContact CG2-CZ 3.65Å; F167-I173 WeakPolarHBondContact CA-O 3.4Å; F167-V174 HydrophobicContact CD1-CB 4.3Å; F167-V174 HydrophobicContact CD1-CG1 4.17Å; F167-V174 HydrophobicContact CD1-CG2 3.79Å; F167-V174 HydrophobicContact CE1-CB 4.18Å; F167-V174 HydrophobicContact CE1-CG1 3.7Å; F167-V174 HydrophobicContact CE1-CG2 3.65Å; F167-V174 HydrophobicContact CZ-CG1 4.34Å
168	S	75.1	Confident	79.1	Confident	42 Å²	42	41.5 Å²	41.5	29%	0.294	26%	0.263	S	S	.	.			trans	-89.9	147.6	176.4	64.9	0	0	0	0	112.6	S171 I173	S168-S171 VanDerWaalsContact O-O 3.07Å; S168-S171 PolarHBondContact OG-O 3.04Å; S168-S171 VanDerWaalsContact OG-O 3.14Å; S168-I173 PolarHBondContact N-O 3.16Å; S168-I173 VanDerWaalsContact OG-CB 3.24Å; S168-I173 WeakPolarHBondContact OG-CB 3.43Å
169	V	57	Low	79.6	Confident	143 Å²	143	45.1 Å²	45.1	87%	0.867	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	129.1	-179.7	-171.2	0	0	0	0	110.2
170	G	56	Low	79.6	Confident	63 Å²	63	44.6 Å²	44.6	65%	0.649	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	-3.8	171.7	0	0	0	0	0	116.2
171	S	55	Low	79.3	Confident	71 Å²	71	42.5 Å²	42.5	50%	0.497	27%	0.265	S	S	.	.	S	Bend	trans	-159.8	140.9	167.5	-66.9	0	0	0	0	107.3	S168 I173	S168-S171 VanDerWaalsContact O-O 3.07Å; S168-S171 PolarHBondContact OG-O 3.04Å; S168-S171 VanDerWaalsContact OG-O 3.14Å; S171-I173 PolarHBondContact O-N 2.75Å
172	V	76.3	Confident	78.8	Confident	16 Å²	16	40.8 Å²	40.8	10%	0.097	25%	0.253	C	S	.	.			trans	-73.2	61.4	-172	-165.5	0	0	0	0	111.6	L121 F126 E127 L130	L121-V172 HydrophobicContact CB-CB 3.89Å; L121-V172 HydrophobicContact CB-CG1 3.67Å; L121-V172 HydrophobicContact CD1-CG1 3.46Å; L121-V172 VanDerWaalsContact CD1-CG1 3.46Å; L121-V172 HydrophobicContact CG-CG1 4.17Å; L121-V172 PolarHBondContact N-O 3.17Å; F126-V172 HydrophobicContact CB-CB 4.47Å; F126-V172 HydrophobicContact CB-CG1 3.47Å; F126-V172 VanDerWaalsContact CB-CG1 3.47Å; F126-V172 HydrophobicContact CB-CG2 4.18Å; F126-V172 HydrophobicContact CG-CG1 4.36Å; E127-V172 HydrophobicContact CB-CG2 4.08Å; L130-V172 HydrophobicContact CD1-CG1 3.64Å
173	I	80.8	Confident	77.8	Confident	41 Å²	41	43.6 Å²	43.6	21%	0.21	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.6	177.3	-47.6	171.9	0	0	0	108.6	R118 F119 T120 F167 S168 S171	R118-I173 HydrophobicContact CG-CG2 3.4Å; F119-I173 CarbonylContact O-C 3.46Å; F119-I173 WeakPolarHBondContact O-CA 3.38Å; T120-I173 HydrophobicContact CG2-CG1 4.24Å; F167-I173 WeakPolarHBondContact CA-O 3.4Å; S168-I173 PolarHBondContact N-O 3.16Å; S168-I173 VanDerWaalsContact OG-CB 3.24Å; S168-I173 WeakPolarHBondContact OG-CB 3.43Å; S171-I173 PolarHBondContact O-N 2.75Å
174	V	85.9	Confident	77.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	111.7	-175.3	-171.1	0	0	0	0	108	R118 F119 L121 L145 I164 F167	R118-V174 CarbonylContact C-O 3.58Å; R118-V174 WeakPolarHBondContact CA-O 3.41Å; F119-V174 HydrophobicContact CB-CB 4.44Å; F119-V174 PolarHBondContact N-O 2.73Å; F119-V174 PolarHBondContact O-N 2.89Å; L121-V174 HydrophobicContact CD1-CG2 3.63Å; L121-V174 HydrophobicContact CG-CG2 4.5Å; L145-V174 HydrophobicContact CD2-CB 4.39Å; L145-V174 HydrophobicContact CD2-CG1 3.93Å; L145-V174 HydrophobicContact CD2-CG2 3.74Å; I164-V174 HydrophobicContact CB-CG1 4.43Å; I164-V174 HydrophobicContact CD1-CG1 4.13Å; I164-V174 HydrophobicContact CG1-CG1 4.02Å; I164-V174 HydrophobicContact CG2-CG1 3.6Å; F167-V174 HydrophobicContact CD1-CB 4.3Å; F167-V174 HydrophobicContact CD1-CG1 4.17Å; F167-V174 HydrophobicContact CD1-CG2 3.79Å; F167-V174 HydrophobicContact CE1-CB 4.18Å; F167-V174 HydrophobicContact CE1-CG1 3.7Å; F167-V174 HydrophobicContact CE1-CG2 3.65Å; F167-V174 HydrophobicContact CZ-CG1 4.34Å
175	D	87.9	Confident	76.5	Confident	29 Å²	29	42.5 Å²	42.5	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.6	170.4	-64.6	-41.7	0	0	0	108.6	G117 R118 I164 T165 Q166	G117-D175 CarbonylContact O-C 3.59Å; G117-D175 WeakPolarHBondContact O-CA 3.31Å; R118-D175 WeakPolarHBondContact CG-OD1 3.27Å; R118-D175 IonicContact CZ-OD1 2.77Å; R118-D175 IonicContact NE-OD1 3.53Å; R118-D175 PolarHBondContact NE-OD1 3.01Å; R118-D175 IonicContact NH2-OD1 3.69Å; R118-D175 IonicContact NH2-OD2 2.95Å; I164-D175 WeakPolarHBondContact CG2-O 2.9Å; T165-D175 PolarHBondContact N-O 3Å; T165-D175 VanDerWaalsContact OG1-C 3.27Å; T165-D175 WeakPolarHBondContact OG1-CB 3.42Å; T165-D175 PolarHBondContact OG1-O 2.77Å; Q166-D175 HydrophobicContact CB-CB 4.32Å; Q166-D175 PolarHBondContact N-O 2.92Å; Q166-D175 PolarHBondContact O-N 2.79Å
176	F	90	Very high	76	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.9	-178.4	68.5	-85.7	0	0	0	111.9	G117 F119 M149 Y153 L162 A163 I164 M204 L206	G117-F176 PolarHBondContact N-O 3.22Å; G117-F176 VanDerWaalsContact O-CD1 3.3Å; G117-F176 WeakPolarHBondContact O-CD1 3.35Å; G117-F176 PolarHBondContact O-N 3.4Å; F119-F176 HydrophobicContact CB-CE1 4.21Å; M149-F176 HydrophobicContact CE-CB 4.23Å; M149-F176 HydrophobicContact CE-CD1 3.49Å; M149-F176 VanDerWaalsContact CE-CD1 3.49Å; M149-F176 HydrophobicContact CE-CD2 3.76Å; M149-F176 HydrophobicContact CE-CE1 3.57Å; M149-F176 HydrophobicContact CE-CE2 3.84Å; M149-F176 HydrophobicContact CE-CG 3.57Å; M149-F176 HydrophobicContact CE-CZ 3.72Å; Y153-F176 HydrophobicContact CE2-CE2 4.27Å; Y153-F176 HydrophobicContact CE2-CZ 4.29Å; L162-F176 HydrophobicContact CG-CD2 4.49Å; A163-F176 CarbonylContact O-C 3.48Å; A163-F176 VanDerWaalsContact O-CA 3.28Å; A163-F176 WeakPolarHBondContact O-CA 3.03Å; A163-F176 WeakPolarHBondContact O-CB 3.4Å; I164-F176 HydrophobicContact CG1-CB 4.29Å; F176-M204 HydrophobicContact CE1-CE 4.32Å; F176-M204 HydrophobicContact CZ-CE 4.28Å; F176-M204 HydrophobicContact CZ-SD 4.3Å; F176-L206 HydrophobicContact CE1-CD2 4.35Å; F176-L206 HydrophobicContact CE2-CD2 4.23Å; F176-L206 HydrophobicContact CZ-CD2 3.58Å
177	T	89	Confident	75.8	Confident	58 Å²	58	36.3 Å²	36.3	36%	0.356	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.8	175.3	55.2	0	0	0	0	109.2	I115 T116 L162 A163 T165	I115-T177 CarbonylContact O-C 3.55Å; I115-T177 WeakPolarHBondContact O-CA 3.37Å; T116-T177 HydrophobicContact CG2-CG2 4.25Å; L162-T177 WeakPolarHBondContact CA-O 3.34Å; A163-T177 PolarHBondContact N-O 2.87Å; A163-T177 PolarHBondContact O-N 2.82Å; T165-T177 HydrophobicContact CG2-CG2 3.68Å
178	M	88.1	Confident	75.8	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.02	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138	178.4	173	169.5	69.7	0	0	109.4	I115 Y153 F159 S161 L162 I180 L189	I115-M178 WeakPolarHBondContact CA-O 3.49Å; I115-M178 HydrophobicContact CB-CB 4.27Å; I115-M178 HydrophobicContact CB-CE 4.25Å; I115-M178 HydrophobicContact CD1-CE 3.53Å; I115-M178 HydrophobicContact CG1-CE 4.46Å; I115-M178 HydrophobicContact CG2-CE 4.2Å; I115-M178 PolarHBondContact N-O 2.02Å; I115-M178 PolarHBondContact O-N 2.91Å; Y153-M178 HydrophobicContact CD1-CE 3.71Å; Y153-M178 HydrophobicContact CD1-SD 3.86Å; Y153-M178 HydrophobicContact CD2-SD 4.2Å; Y153-M178 HydrophobicContact CE1-CE 3.98Å; Y153-M178 HydrophobicContact CG-CE 4.08Å; Y153-M178 HydrophobicContact CG-SD 3.64Å; F159-M178 HydrophobicContact CD2-CG 4.28Å; F159-M178 HydrophobicContact CD2-SD 4.04Å; F159-M178 HydrophobicContact CE2-CG 4.03Å; F159-M178 HydrophobicContact CE2-SD 3.85Å; S161-M178 CarbonylContact O-C 3.44Å; S161-M178 VanDerWaalsContact O-CA 3.28Å; S161-M178 WeakPolarHBondContact O-CA 2.98Å; L162-M178 HydrophobicContact CD1-CB 4.43Å; L162-M178 HydrophobicContact CD1-SD 4.07Å; L162-M178 HydrophobicContact CG-CB 4.39Å; M178-I180 HydrophobicContact CE-CD1 3.93Å; M178-I180 HydrophobicContact CG-CD1 4.46Å; M178-I180 HydrophobicContact CG-CG1 4.15Å; M178-I180 HydrophobicContact SD-CD1 4.22Å; M178-I180 HydrophobicContact SD-CG1 4.47Å; M178-L189 HydrophobicContact CE-CD1 3.79Å
179	K	82.9	Confident	76.1	Confident	79 Å²	79	36.9 Å²	36.9	34%	0.343	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.1	177.1	-169.7	168.8	-169.9	172.8	0	110	D114 D160 S161 V181	D114-K179 WeakPolarHBondContact OD1-CG 3.35Å; D160-K179 HydrophobicContact CB-CB 4.49Å; D160-K179 WeakPolarHBondContact CB-O 3.25Å; D160-K179 PolarHBondContact N-O 2.92Å; S161-K179 PolarHBondContact N-O 3.37Å; S161-K179 PolarHBondContact O-N 3.34Å; K179-V181 HydrophobicContact CG-CG2 4.3Å
180	I	81.7	Confident	77.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.8	176.5	-56.1	175.8	0	0	0	108.4	V113 I115 I156 R157 G158 M178 S182 V184	V113-I180 PolarHBondContact N-O 2.84Å; V113-I180 PolarHBondContact O-N 3.44Å; I115-I180 HydrophobicContact CD1-CD1 3.73Å; I115-I180 HydrophobicContact CD1-CG1 4.37Å; I156-I180 HydrophobicContact CB-CD1 4.41Å; I156-I180 HydrophobicContact CD1-CD1 4.15Å; I156-I180 HydrophobicContact CG2-CD1 3.97Å; R157-I180 WeakPolarHBondContact O-CG2 3.46Å; G158-I180 CarbonylContact O-C 3.49Å; G158-I180 WeakPolarHBondContact O-CA 3.28Å; M178-I180 HydrophobicContact CE-CD1 3.93Å; M178-I180 HydrophobicContact CG-CD1 4.46Å; M178-I180 HydrophobicContact CG-CG1 4.15Å; M178-I180 HydrophobicContact SD-CD1 4.22Å; M178-I180 HydrophobicContact SD-CG1 4.47Å; I180-S182 VanDerWaalsContact C-N 3.32Å; I180-S182 PolarHBondContact O-N 2.92Å; I180-V184 HydrophobicContact CB-CG2 3.58Å; I180-V184 HydrophobicContact CD1-CG1 4.37Å; I180-V184 HydrophobicContact CD1-CG2 3.69Å; I180-V184 HydrophobicContact CG1-CG2 4.22Å; I180-V184 HydrophobicContact CG2-CG2 3.24Å
181	V	74.6	Confident	78.7	Confident	8 Å²	8	33 Å²	33	5%	0.048	19%	0.193	C	C	.	.			trans	-100.1	53.4	-175.4	-170	0	0	0	0	109.2	L109 G158 D160 K179	L109-V181 HydrophobicContact CB-CG1 4.26Å; G158-V181 PolarHBondContact O-N 2.8Å; D160-V181 HydrophobicContact CB-CG2 3.77Å; K179-V181 HydrophobicContact CG-CG2 4.3Å
182	S	71.9	Confident	80.2	Confident	21 Å²	21	32.1 Å²	32.1	15%	0.147	18%	0.18	C	C	.	.	S	Bend	trans	-163.3	167.4	176.7	-165.7	0	0	0	0	110.5	S111 I180 V184	S111-S182 PolarHBondContact O-N 3.1Å; I180-S182 VanDerWaalsContact C-N 3.32Å; I180-S182 PolarHBondContact O-N 2.92Å; S182-V184 PolarHBondContact O-N 3.05Å
183	D	64.8	Low	80.7	Confident	69 Å²	69	31.4 Å²	31.4	37%	0.369	18%	0.175	S	C	.	.			trans	-69.3	97.5	176.4	-56.4	-18.5	0	0	0	110	S111	S111-D183 WeakPolarHBondContact CB-OD1 3.03Å; S111-D183 PolarHBondContact OG-OD1 2.81Å
184	V	71.6	Confident	80.9	Confident	12 Å²	12	30.4 Å²	30.4	7%	0.073	17%	0.171	C	C	.	.			trans	-77.9	127.3	179.9	-176.9	0	0	0	0	110.4	V113 I156 I180 S182 L189 I211	V113-V184 HydrophobicContact CB-CG2 4.32Å; V113-V184 HydrophobicContact CG2-CB 4.43Å; V113-V184 HydrophobicContact CG2-CG2 4.18Å; I156-V184 HydrophobicContact CG2-CG1 4.48Å; I180-V184 HydrophobicContact CB-CG2 3.58Å; I180-V184 HydrophobicContact CD1-CG1 4.37Å; I180-V184 HydrophobicContact CD1-CG2 3.69Å; I180-V184 HydrophobicContact CG1-CG2 4.22Å; I180-V184 HydrophobicContact CG2-CG2 3.24Å; S182-V184 PolarHBondContact O-N 3.05Å; V184-L189 HydrophobicContact CG1-CB 4.11Å; V184-I211 HydrophobicContact CB-CD1 4.49Å
185	S	72	Confident	80.8	Confident	35 Å²	35	32 Å²	32	25%	0.245	18%	0.184	C	C	.	.			trans	-75	130.9	168.1	-164.3	0	0	0	0	110.6	G187 E188 L189 R235	S185-G187 VanDerWaalsContact C-N 3.28Å; S185-G187 PolarHBondContact O-N 3.13Å; S185-E188 PolarHBondContact O-N 3.06Å; S185-E188 VanDerWaalsContact O-N 3.11Å; S185-L189 PolarHBondContact O-N 2.85Å; S185-R235 VanDerWaalsContact CA-NH1 3.27Å; S185-R235 PolarHBondContact OG-NH1 2.77Å
186	S	73.6	Confident	80.7	Confident	23 Å²	23	30.6 Å²	30.6	16%	0.161	18%	0.177	C	C	.	.	H	α-helix	trans	-55.7	-44.6	173.9	58.2	0	0	0	0	111.1	E188 L189 F190 E290	S186-E188 VanDerWaalsContact C-N 3.33Å; S186-E188 PolarHBondContact O-N 3.35Å; S186-L189 WeakPolarHBondContact O-CB 3.43Å; S186-L189 PolarHBondContact O-N 3.22Å; S186-F190 WeakPolarHBondContact O-CB 3.32Å; S186-F190 PolarHBondContact O-N 2.86Å; S186-E290 WeakPolarHBondContact CB-OE2 3.39Å
187	G	76.6	Confident	80.4	Confident	33 Å²	33	31.2 Å²	31.2	34%	0.34	18%	0.18	S	C	.	.	H	α-helix	trans	-64.6	-30.5	176.8	0	0	0	0	0	114.6	S185 N191	S185-G187 VanDerWaalsContact C-N 3.28Å; S185-G187 PolarHBondContact O-N 3.13Å; G187-N191 WeakPolarHBondContact O-CB 3.34Å; G187-N191 VanDerWaalsContact O-CG 3.22Å; G187-N191 PolarHBondContact O-N 2.03Å; G187-N191 PolarHBondContact O-ND2 2.82Å
188	E	80.1	Confident	80.2	Confident	67 Å²	67	35.8 Å²	35.8	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-71.8	-42.9	174.3	-171.9	178.3	-178.6	0	0	110.7	S185 S186 F190 N191 K192	S185-E188 PolarHBondContact O-N 3.06Å; S185-E188 VanDerWaalsContact O-N 3.11Å; S186-E188 VanDerWaalsContact C-N 3.33Å; S186-E188 PolarHBondContact O-N 3.35Å; E188-F190 VanDerWaalsContact C-N 3.28Å; E188-F190 PolarHBondContact O-N 3.37Å; E188-N191 PolarHBondContact O-N 3.39Å; E188-K192 WeakPolarHBondContact O-CG 3.04Å; E188-K192 PolarHBondContact O-N 2.88Å; E188-K192 VanDerWaalsContact O-N 3.09Å
189	L	83.4	Confident	79.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.9	-39.3	173.8	-173.5	64	0	0	0	111.3	I115 Y153 I156 M178 V184 S185 S186 S193 L206 T208 I297	I115-L189 HydrophobicContact CD1-CD1 3.94Å; I115-L189 HydrophobicContact CD1-CD2 3.96Å; Y153-L189 HydrophobicContact CE1-CD1 4.09Å; I156-L189 HydrophobicContact CD1-CD1 3.99Å; M178-L189 HydrophobicContact CE-CD1 3.79Å; V184-L189 HydrophobicContact CG1-CB 4.11Å; S185-L189 PolarHBondContact O-N 2.85Å; S186-L189 WeakPolarHBondContact O-CB 3.43Å; S186-L189 PolarHBondContact O-N 3.22Å; L189-S193 VanDerWaalsContact O-CB 3.28Å; L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 2.74Å; L189-S193 PolarHBondContact O-OG 2.94Å; L189-L206 HydrophobicContact CD1-CD1 4.19Å; L189-L206 HydrophobicContact CD2-CD1 4.16Å; L189-L206 HydrophobicContact CG-CD1 4.01Å; L189-T208 HydrophobicContact CD2-CG2 3.85Å; L189-I297 HydrophobicContact CB-CD1 4.49Å; L189-I297 HydrophobicContact CD2-CD1 4.1Å; L189-I297 HydrophobicContact CD2-CG2 4.35Å; L189-I297 HydrophobicContact CG-CD1 4.09Å
190	F	82.9	Confident	79.7	Confident	12 Å²	12	36.5 Å²	36.5	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-54	175.9	-144.1	-75.3	0	0	0	111.2	S186 E188 K192 S193 T194 E292 I295 I297	S186-F190 WeakPolarHBondContact O-CB 3.32Å; S186-F190 PolarHBondContact O-N 2.86Å; E188-F190 VanDerWaalsContact C-N 3.28Å; E188-F190 PolarHBondContact O-N 3.37Å; F190-K192 VanDerWaalsContact C-N 3.32Å; F190-K192 PolarHBondContact O-N 3.12Å; F190-S193 CarbonylContact O-C 3.52Å; F190-S193 PolarHBondContact O-N 3.29Å; F190-S193 VanDerWaalsContact O-N 3.08Å; F190-T194 WeakPolarHBondContact CD1-OG1 3.39Å; F190-T194 PolarHBondContact O-N 3.12Å; F190-T194 PolarHBondContact O-OG1 3.38Å; F190-E292 HydrophobicContact CD1-CB 4.41Å; F190-E292 HydrophobicContact CD1-CG 4.35Å; F190-E292 WeakPolarHBondContact CD1-OE2 3.36Å; F190-E292 HydrophobicContact CE1-CB 3.45Å; F190-E292 VanDerWaalsContact CE1-CB 3.45Å; F190-E292 HydrophobicContact CE1-CG 3.54Å; F190-E292 WeakPolarHBondContact CE1-OE2 3.34Å; F190-E292 HydrophobicContact CE2-CB 4.12Å; F190-E292 HydrophobicContact CZ-CB 3.3Å; F190-E292 HydrophobicContact CZ-CG 3.97Å; F190-E292 WeakPolarHBondContact CZ-O 3.41Å; F190-I295 HydrophobicContact CE1-CB 4.07Å; F190-I295 HydrophobicContact CE1-CD1 4.08Å; F190-I295 HydrophobicContact CE1-CG2 4.36Å; F190-I295 HydrophobicContact CE2-CB 4.27Å; F190-I295 HydrophobicContact CE2-CG2 3.92Å; F190-I295 HydrophobicContact CZ-CB 3.61Å; F190-I295 HydrophobicContact CZ-CD1 4.47Å; F190-I295 HydrophobicContact CZ-CG2 3.77Å; F190-I297 HydrophobicContact CB-CD1 4.41Å; F190-I297 HydrophobicContact CD2-CD1 3.57Å; F190-I297 HydrophobicContact CD2-CG1 4.08Å; F190-I297 HydrophobicContact CE2-CD1 4.1Å; F190-I297 HydrophobicContact CE2-CG1 4.11Å; F190-I297 HydrophobicContact CG-CD1 4.34Å
191	N	83.4	Confident	79.6	Confident	114 Å²	114	40.2 Å²	40.2	61%	0.61	23%	0.229	S	C	*	.	H	α-helix	trans	-55	-43.8	179.8	-78.1	-37.3	0	0	0	113.2	G187 E188 T194 A195	G187-N191 WeakPolarHBondContact O-CB 3.34Å; G187-N191 VanDerWaalsContact O-CG 3.22Å; G187-N191 PolarHBondContact O-N 2.03Å; G187-N191 PolarHBondContact O-ND2 2.82Å; E188-N191 PolarHBondContact O-N 3.39Å; N191-T194 PolarHBondContact O-N 2.78Å; N191-A195 PolarHBondContact O-N 3.4Å
192	K	86.6	Confident	79.9	Confident	52 Å²	52	40.2 Å²	40.2	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-70.1	-38.6	178	-61.8	-52.5	179.6	-174.3	0	112.3	Y153 K155 I156 E188 F190 T194 A195 L196	Y153-K192 HydrophobicContact CD1-CB 4.25Å; Y153-K192 HydrophobicContact CE1-CB 4.28Å; K155-K192 HydrophobicContact CB-CD 4.37Å; I156-K192 HydrophobicContact CD1-CB 4.3Å; I156-K192 HydrophobicContact CD1-CG 4.08Å; I156-K192 HydrophobicContact CG1-CG 3.8Å; E188-K192 WeakPolarHBondContact O-CG 3.04Å; E188-K192 PolarHBondContact O-N 2.88Å; E188-K192 VanDerWaalsContact O-N 3.09Å; F190-K192 VanDerWaalsContact C-N 3.32Å; F190-K192 PolarHBondContact O-N 3.12Å; K192-T194 VanDerWaalsContact C-N 3.32Å; K192-T194 PolarHBondContact O-N 3.13Å; K192-A195 PolarHBondContact O-N 3.46Å; K192-L196 WeakPolarHBondContact O-CB 3.46Å; K192-L196 PolarHBondContact O-N 3.25Å
193	S	87.4	Confident	80.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-36.7	175.8	-55.8	0	0	0	0	111.3	Y153 L189 F190 L196 T197 L206	Y153-S193 PolarHBondContact OH-OG 2.87Å; L189-S193 VanDerWaalsContact O-CB 3.28Å; L189-S193 WeakPolarHBondContact O-CB 3.45Å; L189-S193 PolarHBondContact O-N 2.74Å; L189-S193 PolarHBondContact O-OG 2.94Å; F190-S193 CarbonylContact O-C 3.52Å; F190-S193 PolarHBondContact O-N 3.29Å; F190-S193 VanDerWaalsContact O-N 3.08Å; S193-L196 PolarHBondContact O-N 3.01Å; S193-T197 WeakPolarHBondContact O-CG2 3.21Å; S193-T197 PolarHBondContact O-N 3Å; S193-T197 PolarHBondContact O-OG1 2.02Å; S193-L206 WeakPolarHBondContact OG-CD1 3.33Å
194	T	84.8	Confident	81.7	Confident	20 Å²	20	40.6 Å²	40.6	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-41.8	174.1	-57	0	0	0	0	111.9	F190 N191 K192 L196 T197 K198 I295	F190-T194 WeakPolarHBondContact CD1-OG1 3.39Å; F190-T194 PolarHBondContact O-N 3.12Å; F190-T194 PolarHBondContact O-OG1 3.38Å; N191-T194 PolarHBondContact O-N 2.78Å; K192-T194 VanDerWaalsContact C-N 3.32Å; K192-T194 PolarHBondContact O-N 3.13Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 PolarHBondContact O-N 2.92Å; T194-T197 WeakPolarHBondContact CA-OG1 3.02Å; T194-T197 PolarHBondContact O-OG1 3.43Å; T194-T197 VanDerWaalsContact O-OG1 3.05Å; T194-K198 HydrophobicContact CG2-CD 4.31Å; T194-K198 WeakPolarHBondContact O-CB 3.42Å; T194-K198 VanDerWaalsContact O-CG 3.31Å; T194-K198 WeakPolarHBondContact O-CG 3.44Å; T194-K198 PolarHBondContact O-N 3.18Å; T194-I295 VanDerWaalsContact CA-CD1 3.44Å; T194-I295 VanDerWaalsContact OG1-CD1 3.26Å; T194-I295 WeakPolarHBondContact OG1-CD1 3.48Å
195	A	84.5	Confident	82.6	Confident	33 Å²	33	42.9 Å²	42.9	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-41.3	174.1	0	0	0	0	0	111.9	N191 K192 T199	N191-A195 PolarHBondContact O-N 3.4Å; K192-A195 PolarHBondContact O-N 3.46Å; A195-T199 WeakPolarHBondContact O-CB 3.45Å; A195-T199 PolarHBondContact O-N 2.88Å; A195-T199 VanDerWaalsContact O-N 3.13Å; A195-T199 PolarHBondContact O-OG1 3.13Å
196	L	84.9	Confident	83.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-45.3	179.7	-174.8	61.6	0	0	0	112.5	M149 E152 Y153 K192 S193 T194 K198 T199 L200 M204	M149-L196 HydrophobicContact CB-CD2 4.4Å; M149-L196 HydrophobicContact CG-CD1 4.38Å; M149-L196 HydrophobicContact CG-CD2 4.06Å; E152-L196 HydrophobicContact CB-CB 4.37Å; E152-L196 HydrophobicContact CB-CD1 4.49Å; E152-L196 HydrophobicContact CG-CB 4.34Å; E152-L196 HydrophobicContact CG-CD1 4.25Å; Y153-L196 HydrophobicContact CD2-CD2 4.04Å; Y153-L196 HydrophobicContact CE2-CD2 3.34Å; K192-L196 WeakPolarHBondContact O-CB 3.46Å; K192-L196 PolarHBondContact O-N 3.25Å; S193-L196 PolarHBondContact O-N 3.01Å; T194-L196 VanDerWaalsContact C-N 3.31Å; T194-L196 PolarHBondContact O-N 2.92Å; L196-K198 VanDerWaalsContact C-N 3.32Å; L196-K198 PolarHBondContact O-N 2.83Å; L196-T199 PolarHBondContact O-N 2.71Å; L196-T199 VanDerWaalsContact O-N 3.13Å; L196-L200 HydrophobicContact CD1-CD1 3.5Å; L196-L200 HydrophobicContact CD1-CG 4.21Å; L196-L200 HydrophobicContact CG-CD1 4.09Å; L196-L200 PolarHBondContact O-N 2.82Å; L196-M204 HydrophobicContact CD2-CE 3.78Å; L196-M204 HydrophobicContact CG-CE 4.42Å
197	T	84.7	Confident	84.2	Confident	14 Å²	14	42.6 Å²	42.6	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-34.3	177.1	52.1	0	0	0	0	112.5	F119 S193 T194 T201 M204 I295	F119-T197 HydrophobicContact CD2-CG2 4.43Å; F119-T197 HydrophobicContact CE2-CG2 3.66Å; F119-T197 HydrophobicContact CZ-CG2 4.38Å; S193-T197 WeakPolarHBondContact O-CG2 3.21Å; S193-T197 PolarHBondContact O-N 3Å; S193-T197 PolarHBondContact O-OG1 2.02Å; T194-T197 WeakPolarHBondContact CA-OG1 3.02Å; T194-T197 PolarHBondContact O-OG1 3.43Å; T194-T197 VanDerWaalsContact O-OG1 3.05Å; T197-T201 WeakPolarHBondContact O-CA 3.31Å; T197-T201 PolarHBondContact O-N 2.92Å; T197-M204 HydrophobicContact CG2-CB 3.88Å; T197-M204 HydrophobicContact CG2-CE 4.47Å; T197-I295 HydrophobicContact CG2-CD1 4.05Å; T197-I295 HydrophobicContact CG2-CG1 3.79Å
198	K	82.9	Confident	84.7	Confident	154 Å²	154	41.1 Å²	41.1	67%	0.67	22%	0.217	S	C	*	.	H	α-helix	trans	-65.8	-37.9	170.8	-75.1	175.7	-178.9	175.1	0	112.8	T194 L196	T194-K198 HydrophobicContact CG2-CD 4.31Å; T194-K198 WeakPolarHBondContact O-CB 3.42Å; T194-K198 VanDerWaalsContact O-CG 3.31Å; T194-K198 WeakPolarHBondContact O-CG 3.44Å; T194-K198 PolarHBondContact O-N 3.18Å; L196-K198 VanDerWaalsContact C-N 3.32Å; L196-K198 PolarHBondContact O-N 2.83Å
199	T	81.9	Confident	84.8	Confident	86 Å²	86	42.5 Å²	42.5	53%	0.528	22%	0.222	S	C	.	.	H	α-helix	trans	-75.6	-35	-177.5	-57.4	0	0	0	0	112.9	A195 L196	A195-T199 WeakPolarHBondContact O-CB 3.45Å; A195-T199 PolarHBondContact O-N 2.88Å; A195-T199 VanDerWaalsContact O-N 3.13Å; A195-T199 PolarHBondContact O-OG1 3.13Å; L196-T199 PolarHBondContact O-N 2.71Å; L196-T199 VanDerWaalsContact O-N 3.13Å
200	L	80.1	Confident	84.4	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-106.4	-5.7	-174.7	-71.8	174.8	0	0	0	114.2	F119 L121 L145 K148 L196	F119-L200 HydrophobicContact CE1-CB 3.67Å; F119-L200 HydrophobicContact CE1-CD1 3.72Å; F119-L200 HydrophobicContact CE1-CG 4.36Å; F119-L200 HydrophobicContact CZ-CB 3.8Å; F119-L200 HydrophobicContact CZ-CD1 4.49Å; L121-L200 HydrophobicContact CD2-CB 3.81Å; L121-L200 HydrophobicContact CD2-CD1 4.46Å; L121-L200 HydrophobicContact CD2-CD2 4.49Å; L121-L200 HydrophobicContact CD2-CG 4.49Å; L145-L200 HydrophobicContact CD1-CD1 3.66Å; L145-L200 HydrophobicContact CD1-CD2 4.24Å; K148-L200 HydrophobicContact CD-CD2 3.61Å; L196-L200 HydrophobicContact CD1-CD1 3.5Å; L196-L200 HydrophobicContact CD1-CG 4.21Å; L196-L200 HydrophobicContact CG-CD1 4.09Å; L196-L200 PolarHBondContact O-N 2.82Å
201	T	78.1	Confident	84.1	Confident	79 Å²	79	44.8 Å²	44.8	49%	0.485	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	97.1	-177.7	-48	0	0	0	0	112.3	E122 T197	E122-T201 HydrophobicContact CB-CG2 4.32Å; E122-T201 WeakPolarHBondContact CB-O 3.3Å; E122-T201 PolarHBondContact N-O 2.03Å; T197-T201 WeakPolarHBondContact O-CA 3.31Å; T197-T201 PolarHBondContact O-N 2.92Å
202	G	82.9	Confident	84.2	Confident	7 Å²	7	39.6 Å²	39.6	7%	0.072	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.4	-174.1	-178.7	0	0	0	0	0	114.3	T120	T120-G202 CarbonylContact O-C 3.59Å; T120-G202 WeakPolarHBondContact O-CA 3.09Å
203	K	86.3	Confident	84	Confident	97 Å²	97	40.7 Å²	40.7	42%	0.422	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.7	-179.5	-47.9	-164.7	-177.5	-164.7	0	111.8	F119 T120 Q294	F119-K203 CarbonylContact C-O 3.58Å; F119-K203 WeakPolarHBondContact CD2-O 3.35Å; T120-K203 PolarHBondContact N-O 2.02Å; T120-K203 PolarHBondContact O-N 2.88Å; K203-Q294 CarbonylContact C-O 3.55Å; K203-Q294 WeakPolarHBondContact CA-O 3.5Å; K203-Q294 HydrophobicContact CB-CB 4.42Å; K203-Q294 HydrophobicContact CG-CB 4.22Å; K203-Q294 VanDerWaalsContact CG-OE1 3.25Å
204	M	87.5	Confident	84	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.4	-176	-168.4	171.4	-78.8	0	0	112.1	R118 F119 Y153 F176 L196 T197 L206 Q294 I295 T296	R118-M204 CarbonylContact O-C 3.47Å; R118-M204 WeakPolarHBondContact O-CA 3.36Å; F119-M204 HydrophobicContact CB-CE 3.95Å; F119-M204 HydrophobicContact CD1-CE 4.26Å; F119-M204 HydrophobicContact CD2-CB 3.76Å; F119-M204 HydrophobicContact CD2-CE 3.39Å; F119-M204 HydrophobicContact CD2-CG 4.14Å; F119-M204 HydrophobicContact CE2-CB 4.31Å; F119-M204 HydrophobicContact CE2-CE 3.95Å; F119-M204 HydrophobicContact CG-CE 3.61Å; Y153-M204 PolarHBondContact OH-SD 3.18Å; F176-M204 HydrophobicContact CE1-CE 4.32Å; F176-M204 HydrophobicContact CZ-CE 4.28Å; F176-M204 HydrophobicContact CZ-SD 4.3Å; L196-M204 HydrophobicContact CD2-CE 3.78Å; L196-M204 HydrophobicContact CG-CE 4.42Å; T197-M204 HydrophobicContact CG2-CB 3.88Å; T197-M204 HydrophobicContact CG2-CE 4.47Å; M204-L206 HydrophobicContact CG-CD2 3.91Å; M204-L206 HydrophobicContact CG-CG 4.1Å; M204-L206 HydrophobicContact SD-CD1 4.29Å; M204-L206 HydrophobicContact SD-CD2 3.79Å; M204-L206 HydrophobicContact SD-CG 4.12Å; M204-Q294 PolarHBondContact N-O 2.02Å; M204-I295 HydrophobicContact CB-CG1 4.2Å; M204-I295 CarbonylContact O-C 3.44Å; M204-I295 VanDerWaalsContact O-CA 3.31Å; M204-I295 WeakPolarHBondContact O-CA 3.47Å; M204-T296 PolarHBondContact O-N 3.49Å
205	T	89.6	Confident	84.1	Confident	61 Å²	61	44.8 Å²	44.8	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.1	168.7	-50.6	0	0	0	0	108.4	G117 R118 T296	G117-T205 CarbonylContact C-O 3.58Å; G117-T205 WeakPolarHBondContact CA-O 3.06Å; R118-T205 PolarHBondContact N-O 3.41Å; R118-T205 PolarHBondContact O-N 3.45Å; T205-T296 CarbonylContact C-O 3.44Å; T205-T296 VanDerWaalsContact CA-O 3.27Å; T205-T296 WeakPolarHBondContact CA-O 3.31Å
206	L	89.2	Confident	84.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139	176.2	-58.1	179.3	0	0	0	109.1	I115 T116 F176 L189 S193 M204 T296 I297 N298	I115-L206 HydrophobicContact CG2-CB 4.34Å; I115-L206 HydrophobicContact CG2-CD2 4.29Å; T116-L206 CarbonylContact O-C 3.59Å; T116-L206 WeakPolarHBondContact O-CA 3.41Å; F176-L206 HydrophobicContact CE1-CD2 4.35Å; F176-L206 HydrophobicContact CE2-CD2 4.23Å; F176-L206 HydrophobicContact CZ-CD2 3.58Å; L189-L206 HydrophobicContact CD1-CD1 4.19Å; L189-L206 HydrophobicContact CD2-CD1 4.16Å; L189-L206 HydrophobicContact CG-CD1 4.01Å; S193-L206 WeakPolarHBondContact OG-CD1 3.33Å; M204-L206 HydrophobicContact CG-CD2 3.91Å; M204-L206 HydrophobicContact CG-CG 4.1Å; M204-L206 HydrophobicContact SD-CD1 4.29Å; M204-L206 HydrophobicContact SD-CD2 3.79Å; M204-L206 HydrophobicContact SD-CG 4.12Å; L206-T296 PolarHBondContact N-O 3.29Å; L206-I297 HydrophobicContact CB-CG1 4.28Å; L206-I297 HydrophobicContact CB-CG2 4.32Å; L206-I297 HydrophobicContact CD1-CD1 4.18Å; L206-I297 HydrophobicContact CD1-CG1 4.24Å; L206-I297 CarbonylContact O-C 3.55Å; L206-I297 WeakPolarHBondContact O-CA 3.17Å; L206-N298 PolarHBondContact O-N 3.12Å
207	E	89.5	Confident	83.5	Confident	52 Å²	52	48.2 Å²	48.2	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125	166.8	174.7	-179.4	125.3	0	0	108.5	I115 T116 K209 N298 K300	I115-E207 CarbonylContact C-O 3.54Å; I115-E207 WeakPolarHBondContact CA-O 3.02Å; T116-E207 PolarHBondContact N-O 3.19Å; T116-E207 PolarHBondContact O-N 2.84Å; T116-E207 WeakPolarHBondContact OG1-CB 3.37Å; T116-E207 PolarHBondContact OG1-O 2.91Å; E207-K209 WeakPolarHBondContact OE1-CE 3.44Å; E207-N298 CarbonylContact C-O 3.59Å; E207-N298 VanDerWaalsContact CA-O 3.26Å; E207-N298 WeakPolarHBondContact CA-O 3.47Å; E207-N298 HydrophobicContact CB-CB 4.36Å; E207-K300 HydrophobicContact CG-CB 4.23Å
208	T	87.6	Confident	82.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.9	-179.7	73	0	0	0	0	110.5	D114 I115 L189 I211 I297 N298 H299 K300	D114-T208 CarbonylContact O-C 3.58Å; D114-T208 WeakPolarHBondContact O-CA 3.29Å; I115-T208 HydrophobicContact CD1-CG2 4.44Å; I115-T208 HydrophobicContact CG1-CG2 4Å; I115-T208 HydrophobicContact CG2-CG2 4.38Å; L189-T208 HydrophobicContact CD2-CG2 3.85Å; T208-I211 HydrophobicContact CG2-CD1 4.12Å; T208-I297 HydrophobicContact CG2-CG2 4.02Å; T208-N298 PolarHBondContact N-O 2.92Å; T208-H299 WeakPolarHBondContact OG1-CA 3.14Å; T208-H299 PolarHBondContact OG1-ND1 3.29Å; T208-K300 PolarHBondContact O-N 2.81Å
209	K	82.1	Confident	82.5	Confident	97 Å²	97	51.2 Å²	51.2	42%	0.422	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.1	171.3	-66.1	-175.3	179.5	-178.3	0	108.5	V113 D114 E207	V113-K209 WeakPolarHBondContact CA-O 3.02Å; D114-K209 PolarHBondContact N-O 3.46Å; D114-K209 PolarHBondContact O-N 3.19Å; E207-K209 WeakPolarHBondContact OE1-CE 3.44Å
210	G	74.7	Confident	82.6	Confident	34 Å²	34	49.6 Å²	49.6	35%	0.351	28%	0.28	S	S	.	.	S	Bend	trans	114.1	-16.4	179.8	0	0	0	0	0	115.7
211	I	78.6	Confident	83	Confident	25 Å²	25	49.1 Å²	49.1	13%	0.128	28%	0.278	C	S	.	.	S	Bend	trans	-76.6	-36.2	171.7	-69	176	0	0	0	111.3	V113 V184 T208	V113-I211 HydrophobicContact CB-CG1 4.49Å; V113-I211 HydrophobicContact CG1-CD1 4Å; V113-I211 HydrophobicContact CG1-CG1 3.79Å; V113-I211 HydrophobicContact CG2-CG1 3.81Å; V184-I211 HydrophobicContact CB-CD1 4.49Å; T208-I211 HydrophobicContact CG2-CD1 4.12Å
212	V	83.6	Confident	83.5	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.4	176.1	179.8	0	0	0	0	107.3	C231 T233 L237 F288 H299 A301	V212-C231 WeakPolarHBondContact CG1-SG 3.01Å; V212-T233 HydrophobicContact CG1-CG2 4.4Å; V212-T233 HydrophobicContact CG2-CG2 3.97Å; V212-L237 HydrophobicContact CG2-CD1 4.32Å; V212-F288 HydrophobicContact CG1-CD2 4.16Å; V212-F288 HydrophobicContact CG1-CE2 3.91Å; V212-F288 HydrophobicContact CG2-CD2 3.66Å; V212-F288 HydrophobicContact CG2-CE2 3.98Å; V212-H299 HydrophobicContact CG2-CB 3.47Å; V212-H299 VanDerWaalsContact CG2-CB 3.47Å; V212-A301 HydrophobicContact CB-CB 4.09Å; V212-A301 HydrophobicContact CG1-CB 3.74Å; V212-A301 WeakPolarHBondContact O-CB 3.31Å
213	T	83	Confident	83.8	Confident	75 Å²	75	48.7 Å²	48.7	46%	0.46	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.5	176.8	57.7	0	0	0	0	109.7	C231 K232	T213-C231 CarbonylContact O-C 3.57Å; T213-C231 WeakPolarHBondContact O-CA 3.31Å; T213-K232 PolarHBondContact N-O 2.83Å; T213-K232 PolarHBondContact O-N 2.87Å; T213-K232 PolarHBondContact OG1-O 2.59Å
214	L	87.9	Confident	83.9	Confident	29 Å²	29	48.6 Å²	48.6	15%	0.152	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.2	-179.9	-166.1	152.3	0	0	0	108.6	I216 V229 I230 W243 C286 A301 A303	L214-I216 HydrophobicContact CD2-CD1 3.97Å; L214-I216 HydrophobicContact CD2-CG1 3.69Å; L214-V229 HydrophobicContact CD2-CG1 3.8Å; L214-V229 HydrophobicContact CG-CG1 4.21Å; L214-I230 WeakPolarHBondContact CA-O 3.39Å; L214-W243 HydrophobicContact CD1-CH2 4.12Å; L214-W243 HydrophobicContact CD1-CZ3 3.7Å; L214-W243 HydrophobicContact CG-CH2 4.41Å; L214-W243 HydrophobicContact CG-CZ3 4.36Å; L214-C286 HydrophobicContact CD1-CB 3.75Å; L214-A301 HydrophobicContact CB-CB 3.83Å; L214-A303 HydrophobicContact CD2-CB 3.42Å; L214-A303 VanDerWaalsContact CD2-CB 3.42Å
215	D	86.4	Confident	84	Confident	77 Å²	77	51.8 Å²	51.8	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.7	-171.4	-169.7	0.6	0	0	0	109.2	I230 K232	D215-I230 PolarHBondContact N-O 3.13Å; D215-I230 PolarHBondContact O-N 3.35Å; D215-K232 IonicContact OD2-NZ 3.2Å; D215-K232 PolarHBondContact OD2-NZ 2.94Å
216	I	84.6	Confident	84	Confident	25 Å²	25	55.2 Å²	55.2	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120	179.1	-52.8	-170.9	0	0	0	107.8	L214 K218 V229 Y284 A303 M305	L214-I216 HydrophobicContact CD2-CD1 3.97Å; L214-I216 HydrophobicContact CD2-CG1 3.69Å; I216-K218 WeakPolarHBondContact CG2-O 3.27Å; I216-K218 PolarHBondContact O-N 3.02Å; I216-K218 VanDerWaalsContact O-N 3.11Å; I216-V229 HydrophobicContact CD1-CG1 4.49Å; I216-V229 HydrophobicContact CG1-CG1 4.1Å; I216-V229 HydrophobicContact CG1-CG2 4.48Å; I216-Y284 HydrophobicContact CD1-CD2 4.46Å; I216-A303 HydrophobicContact CD1-CB 3.67Å; I216-A303 HydrophobicContact CG1-CB 4.02Å; I216-M305 HydrophobicContact CD1-CB 4.04Å; I216-M305 HydrophobicContact CG2-CB 4.39Å; I216-M305 HydrophobicContact CG2-CG 4.25Å; I216-M305 HydrophobicContact CG2-SD 4.08Å
217	S	71.6	Confident	84.1	Confident	81 Å²	81	55.4 Å²	55.4	57%	0.566	30%	0.301	S	S	*	.	S	Bend	trans	-56.4	-28.9	-173.5	52.9	0	0	0	0	115.3
218	K	73.7	Confident	84.2	Confident	119 Å²	119	54.9 Å²	54.9	52%	0.517	30%	0.301	S	S	.	.			trans	-146.4	139.9	172.6	-66.1	-174.7	179.6	-178.7	0	110.5	I216 V221	I216-K218 WeakPolarHBondContact CG2-O 3.27Å; I216-K218 PolarHBondContact O-N 3.02Å; I216-K218 VanDerWaalsContact O-N 3.11Å; K218-V221 HydrophobicContact CB-CG2 4.26Å
219	T	73.1	Confident	84.4	Confident	112 Å²	112	54.8 Å²	54.8	69%	0.687	30%	0.3	S	S	*	.	S	Bend	trans	-69.6	-32.7	175.2	51.8	0	0	0	0	112.6	D306	T219-D306 WeakPolarHBondContact O-CB 3.01Å; T219-D306 PolarHBondContact O-N 3.47Å
220	S	85.2	Confident	84.9	Confident	52 Å²	52	52.4 Å²	52.4	36%	0.364	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.6	173.7	-55.1	0	0	0	0	109.8	D306	S220-D306 WeakPolarHBondContact CA-O 3.1Å
221	V	87.9	Confident	85.7	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.5	-175.8	-179.3	0	0	0	0	110.5	K218 N225 T227 V276 M305 D306 I307 C308	K218-V221 HydrophobicContact CB-CG2 4.26Å; V221-N225 HydrophobicContact CG1-CB 4.5Å; V221-T227 HydrophobicContact CG1-CG2 4.48Å; V221-V276 HydrophobicContact CG1-CB 4.38Å; V221-V276 HydrophobicContact CG1-CG1 4.2Å; V221-V276 HydrophobicContact CG1-CG2 4.2Å; V221-M305 HydrophobicContact CB-SD 4.36Å; V221-M305 HydrophobicContact CG2-CG 3.92Å; V221-M305 HydrophobicContact CG2-SD 3.53Å; V221-M305 VanDerWaalsContact CG2-SD 3.53Å; V221-D306 PolarHBondContact N-O 3.33Å; V221-I307 WeakPolarHBondContact O-CA 3.33Å; V221-C308 PolarHBondContact O-N 3.39Å
222	P	88.8	Confident	86.1	Confident	21 Å²	21	53.1 Å²	53.1	14%	0.136	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.7	173.6	-19.3	30.5	0	0	0	111.9	N225 C398 Q400	P222-N225 HydrophobicContact CB-CB 4.18Å; P222-N225 WeakPolarHBondContact O-CB 3.07Å; P222-N225 PolarHBondContact O-N 2.8Å; P222-C398 HydrophobicContact CB-CB 4.19Å; P222-C398 HydrophobicContact CG-CB 4.17Å; P222-Q400 HydrophobicContact CB-CG 4.32Å
223	Y	88.9	Confident	86.1	Confident	56 Å²	56	53.5 Å²	53.5	22%	0.22	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	143.9	176.2	-167.1	-85.3	0	0	0	111	N225 C308 K310 Q400	Y223-N225 PolarHBondContact O-N 3.31Å; Y223-N225 VanDerWaalsContact O-N 3.17Å; Y223-C308 WeakPolarHBondContact CB-O 3.02Å; Y223-K310 HydrophobicContact CD1-CB 3.74Å; Y223-K310 HydrophobicContact CD1-CD 3.87Å; Y223-K310 HydrophobicContact CD1-CG 4.42Å; Y223-K310 HydrophobicContact CD2-CB 3.76Å; Y223-K310 HydrophobicContact CE1-CB 4.04Å; Y223-K310 HydrophobicContact CE1-CD 3.76Å; Y223-K310 HydrophobicContact CE2-CB 4Å; Y223-K310 HydrophobicContact CG-CB 3.63Å; Y223-Q400 PolarHBondContact O-NE2 2.9Å
224	D	88	Confident	85.6	Confident	94 Å²	94	55.7 Å²	55.7	50%	0.503	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	13.4	-179.8	-160.1	35.5	0	0	0	114.8	H275 V276	D224-H275 WeakPolarHBondContact OD1-CB 3.36Å; D224-H275 IonicContact OD1-CE1 2.69Å; D224-H275 IonicContact OD1-CG 2.84Å; D224-H275 IonicContact OD1-ND1 2.57Å; D224-H275 PolarHBondContact OD1-ND1 3.46Å; D224-V276 PolarHBondContact N-O 3.26Å
225	N	89.5	Confident	84.7	Confident	69 Å²	69	60.2 Å²	60.2	37%	0.369	31%	0.307	S	S	.	.			trans	-89.9	158	175.5	-159.8	4	0	0	0	111.2	V221 P222 Y223 K274 V276	V221-N225 HydrophobicContact CG1-CB 4.5Å; P222-N225 HydrophobicContact CB-CB 4.18Å; P222-N225 WeakPolarHBondContact O-CB 3.07Å; P222-N225 PolarHBondContact O-N 2.8Å; Y223-N225 PolarHBondContact O-N 3.31Å; Y223-N225 VanDerWaalsContact O-N 3.17Å; N225-K274 CarbonylContact C-O 3.53Å; N225-V276 WeakPolarHBondContact O-CB 3.29Å; N225-V276 WeakPolarHBondContact O-CG2 3.49Å; N225-V276 PolarHBondContact O-N 3.31Å
226	K	90.9	Very high	84	Confident	132 Å²	132	62.2 Å²	62.2	57%	0.574	31%	0.314	S	S	*	.			trans	-78.9	129.7	171.1	-176	-178.6	179	-177	0	109.4	T272 I273 K274	K226-T272 VanDerWaalsContact CE-CG2 3.42Å; K226-T272 HydrophobicContact CG-CG2 4.44Å; K226-I273 WeakPolarHBondContact CA-O 3.23Å; K226-K274 WeakPolarHBondContact CA-O 3.17Å
227	T	90.9	Very high	83.7	Confident	4 Å²	4	61.9 Å²	61.9	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156	170.6	-164.6	0	0	0	0	111	V221 I273 V276 M305	V221-T227 HydrophobicContact CG1-CG2 4.48Å; T227-I273 HydrophobicContact CG2-CB 3.98Å; T227-I273 HydrophobicContact CG2-CD1 4.01Å; T227-I273 HydrophobicContact CG2-CG1 4.37Å; T227-I273 PolarHBondContact N-O 2.81Å; T227-I273 PolarHBondContact O-N 3.26Å; T227-V276 HydrophobicContact CG2-CG2 3.42Å; T227-V276 VanDerWaalsContact CG2-CG2 3.42Å; T227-M305 HydrophobicContact CG2-CE 4.09Å; T227-M305 HydrophobicContact CG2-SD 3.88Å
228	V	91.7	Very high	83.6	Confident	41 Å²	41	67.2 Å²	67.2	25%	0.248	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.4	178.1	-173.1	0	0	0	0	108.2	I230 V271 T272	V228-I230 HydrophobicContact CG1-CD1 4.36Å; V228-I230 HydrophobicContact CG1-CG1 3.81Å; V228-V271 WeakPolarHBondContact CA-O 3.46Å; V228-T272 HydrophobicContact CG2-CG2 4.39Å
229	V	92.3	Very high	83.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.7	172.8	-177.2	0	0	0	0	107.4	L214 I216 W243 T270 V271 Y284	L214-V229 HydrophobicContact CD2-CG1 3.8Å; L214-V229 HydrophobicContact CG-CG1 4.21Å; I216-V229 HydrophobicContact CD1-CG1 4.49Å; I216-V229 HydrophobicContact CG1-CG1 4.1Å; I216-V229 HydrophobicContact CG1-CG2 4.48Å; V229-W243 HydrophobicContact CB-CH2 4.43Å; V229-W243 HydrophobicContact CB-CZ3 4.43Å; V229-W243 HydrophobicContact CG1-CH2 3.72Å; V229-W243 HydrophobicContact CG1-CZ3 3.59Å; V229-T270 WeakPolarHBondContact O-CA 3.24Å; V229-V271 HydrophobicContact CB-CB 4.35Å; V229-V271 PolarHBondContact N-O 3.04Å; V229-V271 PolarHBondContact O-N 3.06Å; V229-Y284 HydrophobicContact CG1-CD1 4.29Å; V229-Y284 HydrophobicContact CG1-CG 4.46Å; V229-Y284 HydrophobicContact CG2-CD1 4.14Å; V229-Y284 HydrophobicContact CG2-CE1 4.13Å
230	I	91.8	Very high	84.1	Confident	46 Å²	46	64.8 Å²	64.8	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.2	-171.7	-54.1	177	0	0	0	109.2	L214 D215 V228 K232 I268 T270	L214-I230 WeakPolarHBondContact CA-O 3.39Å; D215-I230 PolarHBondContact N-O 3.13Å; D215-I230 PolarHBondContact O-N 3.35Å; V228-I230 HydrophobicContact CG1-CD1 4.36Å; V228-I230 HydrophobicContact CG1-CG1 3.81Å; I230-K232 HydrophobicContact CG2-CD 4.29Å; I230-K232 HydrophobicContact CG2-CG 3.71Å; I230-I268 HydrophobicContact CG2-CG2 3.6Å; I230-T270 HydrophobicContact CG1-CG2 4.19Å; I230-T270 HydrophobicContact CG2-CG2 4.19Å
231	C	90.8	Very high	84.3	Confident	0 Å²	0	63 Å²	63	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.4	170.4	-175	0	0	0	0	109.2	V212 T213 W243 I268 S269 C286	V212-C231 WeakPolarHBondContact CG1-SG 3.01Å; T213-C231 CarbonylContact O-C 3.57Å; T213-C231 WeakPolarHBondContact O-CA 3.31Å; C231-W243 HydrophobicContact CB-CH2 3.43Å; C231-W243 VanDerWaalsContact CB-CH2 3.43Å; C231-W243 HydrophobicContact CB-CZ2 3.21Å; C231-I268 WeakPolarHBondContact O-CA 3.01Å; C231-S269 PolarHBondContact N-O 3.49Å; C231-S269 PolarHBondContact O-N 3.03Å; C231-C286 HydrophobicContact CB-CB 3.69Å; C231-C286 WeakPolarHBondContact CB-SG 3Å; C231-C286 WeakPolarHBondContact SG-CB 3.12Å; C231-C286 CovalentContact SG-SG 2.04Å; C231-C286 PolarHBondContact SG-SG 3.26Å
232	K	87.8	Confident	84.4	Confident	74 Å²	74	66.7 Å²	66.7	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.2	-176	-54.7	176	-174.7	152.8	0	110.5	T213 D215 I230 K267 I268	T213-K232 PolarHBondContact N-O 2.83Å; T213-K232 PolarHBondContact O-N 2.87Å; T213-K232 PolarHBondContact OG1-O 2.59Å; D215-K232 IonicContact OD2-NZ 3.2Å; D215-K232 PolarHBondContact OD2-NZ 2.94Å; I230-K232 HydrophobicContact CG2-CD 4.29Å; I230-K232 HydrophobicContact CG2-CG 3.71Å; K232-K267 WeakPolarHBondContact CA-O 3.32Å; K232-I268 HydrophobicContact CG-CG1 4.46Å
233	T	83.4	Confident	84.6	Confident	13 Å²	13	65.9 Å²	65.9	8%	0.08	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.5	172.4	70.8	0	0	0	0	109.5	V212 R235 L237 K267 F288	V212-T233 HydrophobicContact CG1-CG2 4.4Å; V212-T233 HydrophobicContact CG2-CG2 3.97Å; T233-R235 WeakPolarHBondContact CB-O 3.47Å; T233-R235 PolarHBondContact OG1-O 3.36Å; T233-L237 HydrophobicContact CG2-CD1 4.11Å; T233-K267 PolarHBondContact N-O 2.98Å; T233-F288 HydrophobicContact CG2-CD2 4.48Å; T233-F288 HydrophobicContact CG2-CE1 4.46Å; T233-F288 HydrophobicContact CG2-CE2 3.69Å; T233-F288 HydrophobicContact CG2-CZ 3.69Å
234	E	71.5	Confident	84.9	Confident	122 Å²	122	64.3 Å²	64.3	57%	0.57	31%	0.31	S	S	*	.	S	Bend	trans	-73.9	-30.9	179.3	-66.1	-171	163.7	0	0	112.3	K267	E234-K267 PolarHBondContact O-NZ 3.25Å
235	R	71.1	Confident	85.2	Confident	123 Å²	123	59.9 Å²	59.9	46%	0.464	29%	0.286	S	S	.	.	S	Bend	trans	-124.2	155.1	176.8	-62.6	-174.5	-175.1	139.1	10.7	110.4	S185 T233 L237	S185-R235 VanDerWaalsContact CA-NH1 3.27Å; S185-R235 PolarHBondContact OG-NH1 2.77Å; T233-R235 WeakPolarHBondContact CB-O 3.47Å; T233-R235 PolarHBondContact OG1-O 3.36Å; R235-L237 PolarHBondContact O-N 3.36Å
236	Q	71.6	Confident	85.3	Confident	120 Å²	120	60.6 Å²	60.6	56%	0.561	29%	0.287	S	S	*	.			trans	-69.2	124.1	175.6	-176.6	172.1	7.7	0	0	108.6
237	L	76.7	Confident	85.3	Confident	17 Å²	17	57.1 Å²	57.1	9%	0.089	27%	0.27	C	S	.	.			trans	-92.9	151.7	171.7	-62.3	175.6	0	0	0	108.4	V212 T233 R235 A239 F288	V212-L237 HydrophobicContact CG2-CD1 4.32Å; T233-L237 HydrophobicContact CG2-CD1 4.11Å; R235-L237 PolarHBondContact O-N 3.36Å; L237-A239 VanDerWaalsContact C-N 3.3Å; L237-F288 HydrophobicContact CB-CD1 4.18Å; L237-F288 HydrophobicContact CD1-CB 3.84Å; L237-F288 HydrophobicContact CD1-CD1 3.71Å; L237-F288 HydrophobicContact CD1-CD2 4.07Å; L237-F288 HydrophobicContact CD1-CE1 4.22Å; L237-F288 HydrophobicContact CD1-CG 3.62Å
238	E	70.3	Confident	84.9	Confident	194 Å²	194	67.1 Å²	67.1	91%	0.907	31%	0.313	S	S	*	.	S	Bend	trans	-76.7	-23.1	-178.7	-66.4	-172.8	175.5	0	0	112.1	E290	E238-E290 PolarHBondContact N-OE1 2.96Å
239	A	74.9	Confident	84.3	Confident	28 Å²	28	70.1 Å²	70.1	23%	0.231	33%	0.328	C	S	.	.	S	Bend	trans	-91.4	153	178	0	0	0	0	0	112.7	L237 F288 V289 E290	L237-A239 VanDerWaalsContact C-N 3.3Å; A239-F288 WeakPolarHBondContact O-CD1 3.39Å; A239-F288 WeakPolarHBondContact O-CE1 3.42Å; A239-V289 WeakPolarHBondContact CB-O 3.16Å; A239-E290 HydrophobicContact CB-CG 4.11Å
240	K	83.1	Confident	84.1	Confident	152 Å²	152	71.6 Å²	71.6	66%	0.661	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-86.4	149.9	168.4	-67.5	-171.3	174.9	-162.6	0	111
241	P	88.5	Confident	84	Confident	14 Å²	14	74.6 Å²	74.6	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.6	178.7	27.1	-26.3	0	0	0	111.7	S269 L287 F288	P241-S269 VanDerWaalsContact CG-CB 3.42Å; P241-S269 WeakPolarHBondContact CG-OG 3.46Å; P241-L287 CarbonylContact C-O 3.53Å; P241-L287 WeakPolarHBondContact CA-O 3.33Å; P241-F288 HydrophobicContact CB-CD1 4.12Å; P241-F288 HydrophobicContact CB-CD2 3.96Å; P241-F288 HydrophobicContact CB-CE1 3.81Å; P241-F288 HydrophobicContact CB-CE2 3.64Å; P241-F288 HydrophobicContact CB-CG 4.19Å; P241-F288 HydrophobicContact CB-CZ 3.56Å; P241-F288 VanDerWaalsContact CD-CE1 3.43Å; P241-F288 HydrophobicContact CG-CE1 3.82Å; P241-F288 HydrophobicContact CG-CE2 4.17Å; P241-F288 HydrophobicContact CG-CZ 3.6Å
242	N	90.7	Very high	84	Confident	81 Å²	81	77.5 Å²	77.5	43%	0.433	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.2	161.1	-67.9	-33.6	0	0	0	108.7	L287	N242-L287 PolarHBondContact N-O 3.34Å; N242-L287 PolarHBondContact O-N 2.99Å
243	W	93.4	Very high	84.2	Confident	3 Å²	3	76.7 Å²	76.7	1%	0.011	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.1	176.2	-78.6	97.7	0	0	0	110.4	L214 V229 C231 I254 S269 V271 I285 C286	L214-W243 HydrophobicContact CD1-CH2 4.12Å; L214-W243 HydrophobicContact CD1-CZ3 3.7Å; L214-W243 HydrophobicContact CG-CH2 4.41Å; L214-W243 HydrophobicContact CG-CZ3 4.36Å; V229-W243 HydrophobicContact CB-CH2 4.43Å; V229-W243 HydrophobicContact CB-CZ3 4.43Å; V229-W243 HydrophobicContact CG1-CH2 3.72Å; V229-W243 HydrophobicContact CG1-CZ3 3.59Å; C231-W243 HydrophobicContact CB-CH2 3.43Å; C231-W243 VanDerWaalsContact CB-CH2 3.43Å; C231-W243 HydrophobicContact CB-CZ2 3.21Å; W243-I254 HydrophobicContact CB-CB 3.85Å; W243-I254 HydrophobicContact CB-CD1 4.26Å; W243-I254 HydrophobicContact CB-CG1 4.33Å; W243-I254 PolarHBondContact O-N 3.24Å; W243-S269 PolarHBondContact NE1-OG 3.3Å; W243-V271 HydrophobicContact CB-CG2 4.33Å; W243-V271 HydrophobicContact CD2-CG2 3.35Å; W243-V271 VanDerWaalsContact CE2-CG2 3.44Å; W243-V271 HydrophobicContact CE3-CG2 3.75Å; W243-V271 HydrophobicContact CG-CG2 3.64Å; W243-V271 HydrophobicContact CH2-CG2 4.19Å; W243-V271 HydrophobicContact CZ2-CG2 3.86Å; W243-V271 HydrophobicContact CZ3-CG2 4.14Å; W243-I285 WeakPolarHBondContact CA-O 3.46Å; W243-C286 HydrophobicContact CD2-CB 4.44Å; W243-C286 HydrophobicContact CE3-CB 4.21Å; W243-C286 HydrophobicContact CH2-CB 4.14Å; W243-C286 HydrophobicContact CZ2-CB 4.36Å; W243-C286 HydrophobicContact CZ3-CB 4.06Å
244	N	93.8	Very high	84.7	Confident	24 Å²	24	76.5 Å²	76.5	13%	0.128	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.6	175.7	-64.9	-23	0	0	0	110.6	E251 F252 L253 I285	N244-E251 HydrophobicContact CB-CG 3.93Å; N244-E251 VanDerWaalsContact CB-OE1 3.3Å; N244-E251 WeakPolarHBondContact CB-OE1 3.31Å; N244-E251 PolarHBondContact ND2-OE1 3.37Å; N244-F252 CarbonylContact C-O 3.6Å; N244-F252 WeakPolarHBondContact CA-O 3.28Å; N244-L253 WeakPolarHBondContact OD1-CD1 3.48Å; N244-I285 HydrophobicContact CB-CB 4.3Å; N244-I285 PolarHBondContact N-O 3.08Å; N244-I285 PolarHBondContact O-N 3.17Å
245	L	94.3	Very high	85.7	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115	169.8	178.4	62.1	0	0	0	108.6	R247 F252 I254 W280 Y284 L485	L245-R247 HydrophobicContact CD2-CG 4.26Å; L245-R247 HydrophobicContact CG-CG 4.02Å; L245-F252 PolarHBondContact N-O 3.31Å; L245-F252 PolarHBondContact O-N 3.48Å; L245-I254 HydrophobicContact CB-CD1 4.11Å; L245-I254 HydrophobicContact CB-CG1 4.16Å; L245-W280 HydrophobicContact CD2-CE3 4.28Å; L245-Y284 HydrophobicContact CD1-CD1 4.43Å; L245-Y284 HydrophobicContact CD1-CD2 3.75Å; L245-Y284 HydrophobicContact CD1-CE1 4.25Å; L245-Y284 HydrophobicContact CD1-CE2 3.49Å; L245-Y284 VanDerWaalsContact CD1-CE2 3.49Å; L245-Y284 HydrophobicContact CD1-CG 4.2Å; L245-L485 HydrophobicContact CB-CD2 4.4Å; L245-L485 HydrophobicContact CD2-CD1 4.48Å; L245-L485 HydrophobicContact CD2-CD2 3.88Å
246	Q	93.1	Very high	86.7	Confident	84 Å²	84	71.3 Å²	71.3	39%	0.393	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.8	176.2	-176.4	166	14.6	0	0	110.4	E283 I285	Q246-E283 HydrophobicContact CB-CB 4.25Å; Q246-E283 PolarHBondContact N-O 3.24Å; Q246-E283 PolarHBondContact O-N 3.03Å; Q246-I285 HydrophobicContact CB-CD1 4.11Å
247	R	90.3	Very high	87.5	Confident	59 Å²	59	67 Å²	67	22%	0.223	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	172.9	-179.4	-66.1	179.6	50.4	-145.8	-23.8	110.2	L245 D249 G250 F252 L279 Q281	L245-R247 HydrophobicContact CD2-CG 4.26Å; L245-R247 HydrophobicContact CG-CG 4.02Å; R247-D249 WeakPolarHBondContact CB-OD1 3.33Å; R247-D249 IonicContact CZ-OD1 2.92Å; R247-D249 VanDerWaalsContact CZ-OD1 3.3Å; R247-D249 IonicContact CZ-OD2 2.63Å; R247-D249 IonicContact NE-OD1 3.95Å; R247-D249 PolarHBondContact NE-OD1 3.37Å; R247-D249 IonicContact NH1-OD2 3.2Å; R247-D249 VanDerWaalsContact NH2-CG 3.26Å; R247-D249 IonicContact NH2-OD1 2.74Å; R247-D249 PolarHBondContact NH2-OD1 2.9Å; R247-D249 VanDerWaalsContact NH2-OD1 3.08Å; R247-D249 IonicContact NH2-OD2 3.83Å; R247-D249 PolarHBondContact NH2-OD2 2.82Å; R247-D249 PolarHBondContact O-N 2.89Å; R247-G250 PolarHBondContact N-O 2.89Å; R247-G250 PolarHBondContact O-N 2.82Å; R247-F252 HydrophobicContact CB-CE2 4.29Å; R247-F252 HydrophobicContact CG-CD2 4.5Å; R247-L279 WeakPolarHBondContact CD-O 3.45Å; R247-L279 PolarHBondContact NH1-O 2.82Å; R247-Q281 WeakPolarHBondContact CG-O 3.37Å
248	K	81.3	Confident	88.1	Confident	215 Å²	215	68.8 Å²	68.8	94%	0.935	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.3	175.8	-67.5	-177.1	-179.2	174.5	0	112.9
249	D	80.9	Confident	89.1	Confident	103 Å²	103	61 Å²	61	55%	0.551	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.6	-177.6	55.3	-29.4	0	0	0	114.2	R247	R247-D249 WeakPolarHBondContact CB-OD1 3.33Å; R247-D249 IonicContact CZ-OD1 2.92Å; R247-D249 VanDerWaalsContact CZ-OD1 3.3Å; R247-D249 IonicContact CZ-OD2 2.63Å; R247-D249 IonicContact NE-OD1 3.95Å; R247-D249 PolarHBondContact NE-OD1 3.37Å; R247-D249 IonicContact NH1-OD2 3.2Å; R247-D249 VanDerWaalsContact NH2-CG 3.26Å; R247-D249 IonicContact NH2-OD1 2.74Å; R247-D249 PolarHBondContact NH2-OD1 2.9Å; R247-D249 VanDerWaalsContact NH2-OD1 3.08Å; R247-D249 IonicContact NH2-OD2 3.83Å; R247-D249 PolarHBondContact NH2-OD2 2.82Å; R247-D249 PolarHBondContact O-N 2.89Å
250	G	86.3	Confident	90	Very high	31 Å²	31	59.6 Å²	59.6	32%	0.32	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	153.9	-174.9	176.8	0	0	0	0	0	114.1	R247	R247-G250 PolarHBondContact N-O 2.89Å; R247-G250 PolarHBondContact O-N 2.82Å
251	E	89.8	Confident	90.5	Very high	110 Å²	110	54 Å²	54	51%	0.514	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129	173.1	-173.7	176.6	-173.6	0	0	109.6	N244	N244-E251 HydrophobicContact CB-CG 3.93Å; N244-E251 VanDerWaalsContact CB-OE1 3.3Å; N244-E251 WeakPolarHBondContact CB-OE1 3.31Å; N244-E251 PolarHBondContact ND2-OE1 3.37Å
252	F	91.1	Very high	90.7	Very high	61 Å²	61	54.4 Å²	54.4	27%	0.268	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124	-174.7	-60.4	-88	0	0	0	110.5	N244 L245 R247 I254 L485	N244-F252 CarbonylContact C-O 3.6Å; N244-F252 WeakPolarHBondContact CA-O 3.28Å; L245-F252 PolarHBondContact N-O 3.31Å; L245-F252 PolarHBondContact O-N 3.48Å; R247-F252 HydrophobicContact CB-CE2 4.29Å; R247-F252 HydrophobicContact CG-CD2 4.5Å; F252-I254 PolarHBondContact O-N 3.36Å; F252-L485 HydrophobicContact CB-CD2 4.29Å
253	L	93	Very high	90.7	Very high	57 Å²	57	55.3 Å²	55.3	30%	0.298	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.2	171.5	-179.1	72.9	0	0	0	109.6	N244 T255 G486 K487	N244-L253 WeakPolarHBondContact OD1-CD1 3.48Å; L253-T255 HydrophobicContact CD2-CG2 3.84Å; L253-T255 HydrophobicContact CG-CG2 4Å; L253-G486 WeakPolarHBondContact O-CA 3.31Å; L253-G486 PolarHBondContact O-N 2.68Å; L253-K487 HydrophobicContact CD2-CG 4.46Å
254	I	93.6	Very high	90.4	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.041	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-88.8	126.5	174.6	-53	177.3	0	0	0	108.6	W243 L245 F252 V262 V271 W280 Y284 G484 L485	W243-I254 HydrophobicContact CB-CB 3.85Å; W243-I254 HydrophobicContact CB-CD1 4.26Å; W243-I254 HydrophobicContact CB-CG1 4.33Å; W243-I254 PolarHBondContact O-N 3.24Å; L245-I254 HydrophobicContact CB-CD1 4.11Å; L245-I254 HydrophobicContact CB-CG1 4.16Å; F252-I254 PolarHBondContact O-N 3.36Å; I254-V262 HydrophobicContact CG2-CG2 4.15Å; I254-V271 HydrophobicContact CG2-CG1 3.87Å; I254-W280 HydrophobicContact CD1-CZ3 4.31Å; I254-W280 HydrophobicContact CG1-CZ3 4.3Å; I254-W280 HydrophobicContact CG2-CH2 4.14Å; I254-W280 HydrophobicContact CG2-CZ3 3.95Å; I254-Y284 HydrophobicContact CD1-CD1 3.71Å; I254-Y284 HydrophobicContact CD1-CE1 3.63Å; I254-G484 WeakPolarHBondContact CA-O 3.1Å; I254-L485 HydrophobicContact CG1-CD2 4.36Å
255	T	91.9	Very high	89.9	Confident	32 Å²	32	63.6 Å²	63.6	20%	0.196	33%	0.33	C	S	.	.			trans	-129	176.4	177.6	65.3	0	0	0	0	110.9	L253 S260 G484 G486	L253-T255 HydrophobicContact CD2-CG2 3.84Å; L253-T255 HydrophobicContact CG-CG2 4Å; T255-S260 PolarHBondContact O-OG 2.77Å; T255-G484 PolarHBondContact N-O 3.3Å; T255-G486 PolarHBondContact OG1-O 3.15Å; T255-G486 VanDerWaalsContact OG1-O 3.13Å
256	N	91.2	Very high	89.1	Confident	105 Å²	105	70.3 Å²	70.3	56%	0.561	36%	0.361	S	S	*	.			trans	-66.8	133.9	168.3	-70.7	-23.7	0	0	0	110.3	T261 V262	N256-T261 WeakPolarHBondContact OD1-CA 3.4Å; N256-V262 PolarHBondContact OD1-N 3.08Å; N256-V262 PolarHBondContact OD1-O 3.3Å
257	G	88.9	Confident	88.5	Confident	29 Å²	29	71.1 Å²	71.1	30%	0.299	36%	0.363	S	S	.	.			trans	-155.7	-166.3	179.6	0	0	0	0	0	111.8	I259 S260 D482	G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 3.41Å; G257-S260 PolarHBondContact N-O 3.29Å; G257-S260 VanDerWaalsContact O-O 3.12Å; G257-D482 CarbonylContact C-O 3.58Å; G257-D482 WeakPolarHBondContact CA-O 3.45Å
258	S	89.1	Confident	88.4	Confident	54 Å²	54	71.1 Å²	71.1	38%	0.378	37%	0.367	S	S	.	.	S	Bend	trans	-67.3	-32.2	177.1	53.8	0	0	0	0	112.6	D482	S258-D482 VanDerWaalsContact CB-OD2 3.25Å; S258-D482 WeakPolarHBondContact CB-OD2 3.38Å; S258-D482 PolarHBondContact N-O 2.85Å; S258-D482 PolarHBondContact OG-O 2.89Å; S258-D482 PolarHBondContact OG-OD1 3.44Å; S258-D482 PolarHBondContact OG-OD2 2.89Å; S258-D482 VanDerWaalsContact OG-OD2 3.06Å
259	I	91.5	Very high	88.9	Confident	30 Å²	30	61 Å²	61	15%	0.154	32%	0.324	C	S	.	.	S	Bend	trans	-103.5	-40.9	-177.3	-57.6	-174.5	0	0	0	112.3	G257 I273 K274 H275 W280 I483	G257-I259 VanDerWaalsContact C-N 3.3Å; G257-I259 PolarHBondContact O-N 3.41Å; I259-I273 HydrophobicContact CG2-CG2 3.78Å; I259-K274 PolarHBondContact O-N 2.94Å; I259-H275 HydrophobicContact CG2-CB 4.36Å; I259-H275 WeakPolarHBondContact CG2-O 3.28Å; I259-W280 HydrophobicContact CB-CZ2 4.5Å; I259-W280 HydrophobicContact CG2-CZ2 4.4Å; I259-I483 HydrophobicContact CB-CB 4.31Å; I259-I483 HydrophobicContact CD1-CB 3.9Å; I259-I483 HydrophobicContact CD1-CG2 3.58Å; I259-I483 HydrophobicContact CG1-CB 4.12Å; I259-I483 HydrophobicContact CG1-CG2 4.08Å
260	S	93.6	Very high	89.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	147.4	179.6	54.1	0	0	0	0	114.1	T255 G257 T272 W280 I483 G484	T255-S260 PolarHBondContact O-OG 2.77Å; G257-S260 PolarHBondContact N-O 3.29Å; G257-S260 VanDerWaalsContact O-O 3.12Å; S260-T272 CarbonylContact C-O 3.57Å; S260-T272 WeakPolarHBondContact CA-O 3.38Å; S260-W280 WeakPolarHBondContact OG-CH2 3.36Å; S260-I483 PolarHBondContact N-O 3.03Å; S260-I483 PolarHBondContact OG-O 2.78Å; S260-G484 VanDerWaalsContact OG-CA 3.28Å; S260-G484 WeakPolarHBondContact OG-CA 3.46Å; S260-G484 PolarHBondContact OG-O 3.09Å
261	T	93.3	Very high	89.8	Confident	33 Å²	33	55.8 Å²	55.8	20%	0.202	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.7	171.9	-51.8	0	0	0	0	108.4	N256 E263 V271 T272	N256-T261 WeakPolarHBondContact OD1-CA 3.4Å; T261-E263 HydrophobicContact CG2-CG 4.14Å; T261-V271 CarbonylContact O-C 3.53Å; T261-V271 WeakPolarHBondContact O-CA 3.32Å; T261-T272 PolarHBondContact N-O 2.85Å; T261-T272 PolarHBondContact O-N 3.33Å
262	V	92.6	Very high	89.9	Confident	24 Å²	24	51.4 Å²	51.4	15%	0.145	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.7	178.2	-171.8	0	0	0	0	107.5	I254 N256 T270 V271	I254-V262 HydrophobicContact CG2-CG2 4.15Å; N256-V262 PolarHBondContact OD1-N 3.08Å; N256-V262 PolarHBondContact OD1-O 3.3Å; V262-T270 CarbonylContact C-O 3.54Å; V262-T270 VanDerWaalsContact CA-O 3.3Å; V262-T270 WeakPolarHBondContact CA-O 3.27Å; V262-V271 HydrophobicContact CG2-CG2 4.25Å
263	E	91.6	Very high	90	Very high	100 Å²	100	48.5 Å²	48.5	47%	0.467	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122	179.4	-65.1	175.9	176	0	0	108.9	T261 S269 T270	T261-E263 HydrophobicContact CG2-CG 4.14Å; E263-S269 CarbonylContact O-C 3.52Å; E263-S269 WeakPolarHBondContact O-CA 3.19Å; E263-T270 PolarHBondContact N-O 2.94Å; E263-T270 PolarHBondContact O-N 2.78Å
264	D	87.1	Confident	89.9	Confident	67 Å²	67	50.5 Å²	50.5	36%	0.358	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116	179.9	-58.6	-46.1	0	0	0	110.3	S269	D264-S269 WeakPolarHBondContact OD1-CB 3.13Å; D264-S269 PolarHBondContact OD1-OG 3.22Å
265	E	83.6	Confident	89.7	Confident	133 Å²	133	54.9 Å²	54.9	62%	0.621	28%	0.284	S	S	*	.			trans	-108	173	168.5	-57.4	-178.5	174.6	0	0	109.9	K267 I268	E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 2.92Å; E265-K267 VanDerWaalsContact O-N 3.08Å; E265-I268 CarbonylContact C-O 3.51Å; E265-I268 WeakPolarHBondContact CA-O 3.4Å; E265-I268 WeakPolarHBondContact CB-O 3.25Å; E265-I268 PolarHBondContact N-O 2.69Å
266	E	77.6	Confident	89.6	Confident	141 Å²	141	53.3 Å²	53.3	66%	0.659	27%	0.274	S	S	*	.	S	Bend	trans	-53.8	-35.6	-171.2	-68.7	-176.6	167.4	0	0	115.3
267	K	81.2	Confident	89.6	Confident	101 Å²	101	49 Å²	49	44%	0.439	25%	0.253	S	S	.	.	S	Bend	trans	-130.1	-1	-175.6	-61.8	-173.2	-177	-170.3	0	113.7	K232 T233 E234 E265	K232-K267 WeakPolarHBondContact CA-O 3.32Å; T233-K267 PolarHBondContact N-O 2.98Å; E234-K267 PolarHBondContact O-NZ 3.25Å; E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 2.92Å; E265-K267 VanDerWaalsContact O-N 3.08Å
268	I	87.8	Confident	89.5	Confident	60 Å²	60	52.2 Å²	52.2	31%	0.308	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.7	-171.5	-56.7	-178.6	0	0	0	107.1	I230 C231 K232 E265 T270	I230-I268 HydrophobicContact CG2-CG2 3.6Å; C231-I268 WeakPolarHBondContact O-CA 3.01Å; K232-I268 HydrophobicContact CG-CG1 4.46Å; E265-I268 CarbonylContact C-O 3.51Å; E265-I268 WeakPolarHBondContact CA-O 3.4Å; E265-I268 WeakPolarHBondContact CB-O 3.25Å; E265-I268 PolarHBondContact N-O 2.69Å; I268-T270 HydrophobicContact CG2-CG2 3.73Å
269	S	91.2	Very high	89.5	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.5	165.5	-179.8	0	0	0	0	108.1	C231 P241 W243 E263 D264	C231-S269 PolarHBondContact N-O 3.49Å; C231-S269 PolarHBondContact O-N 3.03Å; P241-S269 VanDerWaalsContact CG-CB 3.42Å; P241-S269 WeakPolarHBondContact CG-OG 3.46Å; W243-S269 PolarHBondContact NE1-OG 3.3Å; E263-S269 CarbonylContact O-C 3.52Å; E263-S269 WeakPolarHBondContact O-CA 3.19Å; D264-S269 WeakPolarHBondContact OD1-CB 3.13Å; D264-S269 PolarHBondContact OD1-OG 3.22Å
270	T	92	Very high	89.5	Confident	23 Å²	23	50 Å²	50	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.9	-177.6	69.9	0	0	0	0	111	V229 I230 V262 E263 I268	V229-T270 WeakPolarHBondContact O-CA 3.24Å; I230-T270 HydrophobicContact CG1-CG2 4.19Å; I230-T270 HydrophobicContact CG2-CG2 4.19Å; V262-T270 CarbonylContact C-O 3.54Å; V262-T270 VanDerWaalsContact CA-O 3.3Å; V262-T270 WeakPolarHBondContact CA-O 3.27Å; E263-T270 PolarHBondContact N-O 2.94Å; E263-T270 PolarHBondContact O-N 2.78Å; I268-T270 HydrophobicContact CG2-CG2 3.73Å
271	V	93.6	Very high	89.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.8	167.6	-179.2	0	0	0	0	107.6	V228 V229 W243 I254 T261 V262 I273	V228-V271 WeakPolarHBondContact CA-O 3.46Å; V229-V271 HydrophobicContact CB-CB 4.35Å; V229-V271 PolarHBondContact N-O 3.04Å; V229-V271 PolarHBondContact O-N 3.06Å; W243-V271 HydrophobicContact CB-CG2 4.33Å; W243-V271 HydrophobicContact CD2-CG2 3.35Å; W243-V271 VanDerWaalsContact CE2-CG2 3.44Å; W243-V271 HydrophobicContact CE3-CG2 3.75Å; W243-V271 HydrophobicContact CG-CG2 3.64Å; W243-V271 HydrophobicContact CH2-CG2 4.19Å; W243-V271 HydrophobicContact CZ2-CG2 3.86Å; W243-V271 HydrophobicContact CZ3-CG2 4.14Å; I254-V271 HydrophobicContact CG2-CG1 3.87Å; T261-V271 CarbonylContact O-C 3.53Å; T261-V271 WeakPolarHBondContact O-CA 3.32Å; V262-V271 HydrophobicContact CG2-CG2 4.25Å; V271-I273 HydrophobicContact CG1-CG1 4.11Å
272	T	93	Very high	89.3	Confident	19 Å²	19	52 Å²	52	12%	0.117	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.2	172.5	-65.2	0	0	0	0	109.5	K226 V228 S260 T261	K226-T272 VanDerWaalsContact CE-CG2 3.42Å; K226-T272 HydrophobicContact CG-CG2 4.44Å; V228-T272 HydrophobicContact CG2-CG2 4.39Å; S260-T272 CarbonylContact C-O 3.57Å; S260-T272 WeakPolarHBondContact CA-O 3.38Å; T261-T272 PolarHBondContact N-O 2.85Å; T261-T272 PolarHBondContact O-N 3.33Å
273	I	93.5	Very high	89.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.9	175.6	-52.3	168.9	0	0	0	107.1	K226 T227 I259 V271 V276 W280 Y284 M305	K226-I273 WeakPolarHBondContact CA-O 3.23Å; T227-I273 HydrophobicContact CG2-CB 3.98Å; T227-I273 HydrophobicContact CG2-CD1 4.01Å; T227-I273 HydrophobicContact CG2-CG1 4.37Å; T227-I273 PolarHBondContact N-O 2.81Å; T227-I273 PolarHBondContact O-N 3.26Å; I259-I273 HydrophobicContact CG2-CG2 3.78Å; V271-I273 HydrophobicContact CG1-CG1 4.11Å; I273-V276 HydrophobicContact CB-CG2 4.03Å; I273-V276 HydrophobicContact CG2-CB 4.47Å; I273-V276 HydrophobicContact CG2-CG2 3.62Å; I273-W280 HydrophobicContact CD1-CD2 4Å; I273-W280 HydrophobicContact CD1-CE3 3.6Å; I273-W280 HydrophobicContact CD1-CG 4.41Å; I273-W280 HydrophobicContact CD1-CZ3 4.15Å; I273-W280 HydrophobicContact CG1-CD2 4.46Å; I273-W280 HydrophobicContact CG1-CE3 4.17Å; I273-W280 HydrophobicContact CG1-CZ3 4.34Å; I273-W280 HydrophobicContact CG2-CD2 4.09Å; I273-W280 HydrophobicContact CG2-CG 4.19Å; I273-Y284 HydrophobicContact CD1-CE1 4.14Å; I273-Y284 WeakPolarHBondContact CD1-OH 3.42Å; I273-M305 HydrophobicContact CD1-CE 4.17Å
274	K	90.6	Very high	89.4	Confident	99 Å²	99	48.8 Å²	48.8	43%	0.43	24%	0.239	S	C	.	.	S	Bend	trans	-76.7	-44.3	-172.9	-64.7	173.6	-174	166.7	0	113	N225 K226 I259	N225-K274 CarbonylContact C-O 3.53Å; K226-K274 WeakPolarHBondContact CA-O 3.17Å; I259-K274 PolarHBondContact O-N 2.94Å
275	H	89.9	Confident	89.6	Confident	99 Å²	99	45.8 Å²	45.8	46%	0.458	22%	0.222	S	C	.	.	S	Bend	trans	-129.5	86.9	-175	-66.8	-73.8	0	0	0	109.2	D224 I259	D224-H275 WeakPolarHBondContact OD1-CB 3.36Å; D224-H275 IonicContact OD1-CE1 2.69Å; D224-H275 IonicContact OD1-CG 2.84Å; D224-H275 IonicContact OD1-ND1 2.57Å; D224-H275 PolarHBondContact OD1-ND1 3.46Å; I259-H275 HydrophobicContact CG2-CB 4.36Å; I259-H275 WeakPolarHBondContact CG2-O 3.28Å
276	V	89.1	Confident	90.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.			trans	-67.9	133.8	-176.2	173.8	0	0	0	0	110.9	V221 D224 N225 T227 I273 I307	V221-V276 HydrophobicContact CG1-CB 4.38Å; V221-V276 HydrophobicContact CG1-CG1 4.2Å; V221-V276 HydrophobicContact CG1-CG2 4.2Å; D224-V276 PolarHBondContact N-O 3.26Å; N225-V276 WeakPolarHBondContact O-CB 3.29Å; N225-V276 WeakPolarHBondContact O-CG2 3.49Å; N225-V276 PolarHBondContact O-N 3.31Å; T227-V276 HydrophobicContact CG2-CG2 3.42Å; T227-V276 VanDerWaalsContact CG2-CG2 3.42Å; I273-V276 HydrophobicContact CB-CG2 4.03Å; I273-V276 HydrophobicContact CG2-CB 4.47Å; I273-V276 HydrophobicContact CG2-CG2 3.62Å; V276-I307 HydrophobicContact CG1-CD1 3.32Å; V276-I307 HydrophobicContact CG1-CG1 3.73Å; V276-I307 HydrophobicContact CG1-CG2 3.98Å
277	S	90.3	Very high	90.7	Very high	15 Å²	15	34.3 Å²	34.3	11%	0.105	17%	0.17	C	C	.	.			trans	-135.8	170.9	179.1	73	0	0	0	0	111.2	L279 W280 I307	S277-L279 PolarHBondContact O-N 3.37Å; S277-W280 PolarHBondContact O-N 2.91Å; S277-I307 WeakPolarHBondContact O-CD1 3.48Å
278	E	87.8	Confident	91	Very high	95 Å²	95	30.2 Å²	30.2	44%	0.444	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-51.1	-25.3	177.7	65.8	-164.2	-157.1	0	0	114.4	W280 Q281 L309	E278-W280 VanDerWaalsContact C-N 3.25Å; E278-W280 PolarHBondContact O-N 3.4Å; E278-Q281 PolarHBondContact O-N 2.79Å; E278-L309 HydrophobicContact CB-CD2 3.78Å
279	L	89.9	Confident	91	Very high	39 Å²	39	29.7 Å²	29.7	20%	0.204	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-70.5	-19.8	178	-61.4	175.4	0	0	0	113.7	R247 S277 I480 I483 L485	R247-L279 WeakPolarHBondContact CD-O 3.45Å; R247-L279 PolarHBondContact NH1-O 2.82Å; S277-L279 PolarHBondContact O-N 3.37Å; L279-I480 HydrophobicContact CD1-CB 4.49Å; L279-I480 HydrophobicContact CD1-CD1 3.82Å; L279-I480 HydrophobicContact CD1-CG2 4.37Å; L279-I483 HydrophobicContact CD1-CD1 3.75Å; L279-L485 HydrophobicContact CB-CD1 4.14Å; L279-L485 WeakPolarHBondContact O-CD1 3.38Å
280	W	91.3	Very high	90.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-97	4	-179.5	-67.8	96.6	0	0	0	113	L245 I254 I259 S260 I273 S277 E278 Y284 I307 I483 L485	L245-W280 HydrophobicContact CD2-CE3 4.28Å; I254-W280 HydrophobicContact CD1-CZ3 4.31Å; I254-W280 HydrophobicContact CG1-CZ3 4.3Å; I254-W280 HydrophobicContact CG2-CH2 4.14Å; I254-W280 HydrophobicContact CG2-CZ3 3.95Å; I259-W280 HydrophobicContact CB-CZ2 4.5Å; I259-W280 HydrophobicContact CG2-CZ2 4.4Å; S260-W280 WeakPolarHBondContact OG-CH2 3.36Å; I273-W280 HydrophobicContact CD1-CD2 4Å; I273-W280 HydrophobicContact CD1-CE3 3.6Å; I273-W280 HydrophobicContact CD1-CG 4.41Å; I273-W280 HydrophobicContact CD1-CZ3 4.15Å; I273-W280 HydrophobicContact CG1-CD2 4.46Å; I273-W280 HydrophobicContact CG1-CE3 4.17Å; I273-W280 HydrophobicContact CG1-CZ3 4.34Å; I273-W280 HydrophobicContact CG2-CD2 4.09Å; I273-W280 HydrophobicContact CG2-CG 4.19Å; S277-W280 PolarHBondContact O-N 2.91Å; E278-W280 VanDerWaalsContact C-N 3.25Å; E278-W280 PolarHBondContact O-N 3.4Å; W280-Y284 WeakPolarHBondContact O-CE2 3.46Å; W280-Y284 PolarHBondContact O-OH 3.14Å; W280-I307 VanDerWaalsContact C-CD1 3.44Å; W280-I307 HydrophobicContact CB-CD1 3.93Å; W280-I483 WeakPolarHBondContact CZ2-O 3.37Å; W280-L485 HydrophobicContact CD2-CD1 4.49Å; W280-L485 HydrophobicContact CD2-CD2 4.37Å; W280-L485 HydrophobicContact CD2-CG 4.47Å; W280-L485 HydrophobicContact CE3-CD2 3.83Å; W280-L485 HydrophobicContact CE3-CG 4.38Å; W280-L485 HydrophobicContact CH2-CD2 3.61Å; W280-L485 HydrophobicContact CH2-CG 3.8Å; W280-L485 HydrophobicContact CZ2-CD2 4.18Å; W280-L485 HydrophobicContact CZ2-CG 3.89Å; W280-L485 HydrophobicContact CZ3-CD2 3.43Å; W280-L485 VanDerWaalsContact CZ3-CD2 3.43Å; W280-L485 HydrophobicContact CZ3-CG 4.08Å
281	Q	90.5	Very high	90.3	Very high	58 Å²	58	36.5 Å²	36.5	27%	0.271	18%	0.182	S	C	.	.			trans	-78.8	131.2	176.3	-171.5	-176.4	-7.3	0	0	109.3	R247 E278 D306 I307	R247-Q281 WeakPolarHBondContact CG-O 3.37Å; E278-Q281 PolarHBondContact O-N 2.79Å; Q281-D306 PolarHBondContact NE2-OD1 2.97Å; Q281-I307 HydrophobicContact CB-CB 4.42Å; Q281-I307 HydrophobicContact CB-CD1 3.85Å; Q281-I307 HydrophobicContact CB-CG1 4.14Å; Q281-I307 VanDerWaalsContact N-CD1 3.29Å
282	G	91.3	Very high	89.8	Confident	17 Å²	17	41.8 Å²	41.8	18%	0.175	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-164.1	177.6	0	0	0	0	0	114.9	T304 M305	G282-T304 WeakPolarHBondContact O-CA 3.28Å; G282-M305 PolarHBondContact N-O 3.08Å; G282-M305 VanDerWaalsContact N-O 3.14Å; G282-M305 PolarHBondContact O-N 3.01Å
283	E	92.6	Very high	89.2	Confident	56 Å²	56	46.7 Å²	46.7	26%	0.262	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.2	177.4	-176	178.2	-171.1	0	0	110.1	Q246 I285 N302 T304	Q246-E283 HydrophobicContact CB-CB 4.25Å; Q246-E283 PolarHBondContact N-O 3.24Å; Q246-E283 PolarHBondContact O-N 3.03Å; E283-I285 HydrophobicContact CG-CG1 4.42Å; E283-N302 HydrophobicContact CG-CB 4.19Å; E283-N302 WeakPolarHBondContact OE1-CB 3.28Å; E283-N302 PolarHBondContact OE1-ND2 3.48Å; E283-T304 HydrophobicContact CB-CG2 3.87Å; E283-T304 HydrophobicContact CG-CG2 4.06Å
284	Y	93.3	Very high	88.6	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.8	175.7	-75.1	-102.8	0	0	0	109.5	I216 V229 L245 I254 I273 W280 N302 A303 M305	I216-Y284 HydrophobicContact CD1-CD2 4.46Å; V229-Y284 HydrophobicContact CG1-CD1 4.29Å; V229-Y284 HydrophobicContact CG1-CG 4.46Å; V229-Y284 HydrophobicContact CG2-CD1 4.14Å; V229-Y284 HydrophobicContact CG2-CE1 4.13Å; L245-Y284 HydrophobicContact CD1-CD1 4.43Å; L245-Y284 HydrophobicContact CD1-CD2 3.75Å; L245-Y284 HydrophobicContact CD1-CE1 4.25Å; L245-Y284 HydrophobicContact CD1-CE2 3.49Å; L245-Y284 VanDerWaalsContact CD1-CE2 3.49Å; L245-Y284 HydrophobicContact CD1-CG 4.2Å; I254-Y284 HydrophobicContact CD1-CD1 3.71Å; I254-Y284 HydrophobicContact CD1-CE1 3.63Å; I273-Y284 HydrophobicContact CD1-CE1 4.14Å; I273-Y284 WeakPolarHBondContact CD1-OH 3.42Å; W280-Y284 WeakPolarHBondContact O-CE2 3.46Å; W280-Y284 PolarHBondContact O-OH 3.14Å; Y284-N302 CarbonylContact O-C 3.58Å; Y284-N302 WeakPolarHBondContact O-CA 3.45Å; Y284-A303 PolarHBondContact N-O 2.04Å; Y284-A303 PolarHBondContact O-N 3.43Å; Y284-M305 HydrophobicContact CD2-CB 4.07Å; Y284-M305 HydrophobicContact CE2-CB 3.82Å; Y284-M305 HydrophobicContact CE2-CE 3.49Å; Y284-M305 VanDerWaalsContact CE2-CE 3.49Å; Y284-M305 WeakPolarHBondContact OH-CE 3.35Å
285	I	92.7	Very high	88.3	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.9	-178.8	-56.4	172.4	0	0	0	108.1	W243 N244 Q246 E283 K300 A301 N302	W243-I285 WeakPolarHBondContact CA-O 3.46Å; N244-I285 HydrophobicContact CB-CB 4.3Å; N244-I285 PolarHBondContact N-O 3.08Å; N244-I285 PolarHBondContact O-N 3.17Å; Q246-I285 HydrophobicContact CB-CD1 4.11Å; E283-I285 HydrophobicContact CG-CG1 4.42Å; I285-K300 HydrophobicContact CG2-CD 4.29Å; I285-K300 HydrophobicContact CG2-CG 3.95Å; I285-A301 WeakPolarHBondContact CA-O 3.37Å; I285-N302 HydrophobicContact CG1-CB 4.29Å
286	C	92.1	Very high	88.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	119.7	168	178.5	0	0	0	0	108.4	L214 C231 W243 K300 A301	L214-C286 HydrophobicContact CD1-CB 3.75Å; C231-C286 HydrophobicContact CB-CB 3.69Å; C231-C286 WeakPolarHBondContact CB-SG 3Å; C231-C286 WeakPolarHBondContact SG-CB 3.12Å; C231-C286 CovalentContact SG-SG 2.04Å; C231-C286 PolarHBondContact SG-SG 3.26Å; W243-C286 HydrophobicContact CD2-CB 4.44Å; W243-C286 HydrophobicContact CE3-CB 4.21Å; W243-C286 HydrophobicContact CH2-CB 4.14Å; W243-C286 HydrophobicContact CZ2-CB 4.36Å; W243-C286 HydrophobicContact CZ3-CB 4.06Å; C286-K300 WeakPolarHBondContact O-CA 2.96Å; C286-A301 PolarHBondContact N-O 3Å; C286-A301 PolarHBondContact O-N 3.17Å
287	L	90.4	Very high	88.1	Confident	34 Å²	34	43.1 Å²	43.1	18%	0.178	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113.1	-173.5	178.1	66.7	0	0	0	111.1	P241 N242 V289 N298 H299 K300	P241-L287 CarbonylContact C-O 3.53Å; P241-L287 WeakPolarHBondContact CA-O 3.33Å; N242-L287 PolarHBondContact N-O 3.34Å; N242-L287 PolarHBondContact O-N 2.99Å; L287-V289 HydrophobicContact CD1-CG2 4.44Å; L287-V289 HydrophobicContact CD2-CG2 3.99Å; L287-V289 HydrophobicContact CG-CG2 3.87Å; L287-N298 HydrophobicContact CD1-CB 3.89Å; L287-H299 WeakPolarHBondContact CA-O 3.45Å; L287-K300 HydrophobicContact CD1-CB 4.06Å; L287-K300 HydrophobicContact CD1-CG 4.47Å
288	F	88.3	Confident	88.1	Confident	14 Å²	14	44 Å²	44	6%	0.061	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.7	166.8	-65.2	-102.6	0	0	0	109.5	V212 T233 L237 A239 P241 N298 H299	V212-F288 HydrophobicContact CG1-CD2 4.16Å; V212-F288 HydrophobicContact CG1-CE2 3.91Å; V212-F288 HydrophobicContact CG2-CD2 3.66Å; V212-F288 HydrophobicContact CG2-CE2 3.98Å; T233-F288 HydrophobicContact CG2-CD2 4.48Å; T233-F288 HydrophobicContact CG2-CE1 4.46Å; T233-F288 HydrophobicContact CG2-CE2 3.69Å; T233-F288 HydrophobicContact CG2-CZ 3.69Å; L237-F288 HydrophobicContact CB-CD1 4.18Å; L237-F288 HydrophobicContact CD1-CB 3.84Å; L237-F288 HydrophobicContact CD1-CD1 3.71Å; L237-F288 HydrophobicContact CD1-CD2 4.07Å; L237-F288 HydrophobicContact CD1-CE1 4.22Å; L237-F288 HydrophobicContact CD1-CG 3.62Å; A239-F288 WeakPolarHBondContact O-CD1 3.39Å; A239-F288 WeakPolarHBondContact O-CE1 3.42Å; P241-F288 HydrophobicContact CB-CD1 4.12Å; P241-F288 HydrophobicContact CB-CD2 3.96Å; P241-F288 HydrophobicContact CB-CE1 3.81Å; P241-F288 HydrophobicContact CB-CE2 3.64Å; P241-F288 HydrophobicContact CB-CG 4.19Å; P241-F288 HydrophobicContact CB-CZ 3.56Å; P241-F288 VanDerWaalsContact CD-CE1 3.43Å; P241-F288 HydrophobicContact CG-CE1 3.82Å; P241-F288 HydrophobicContact CG-CE2 4.17Å; P241-F288 HydrophobicContact CG-CZ 3.6Å; F288-N298 CarbonylContact O-C 3.3Å; F288-N298 WeakPolarHBondContact O-CA 3.3Å; F288-H299 HydrophobicContact CB-CB 4.16Å; F288-H299 PolarHBondContact N-O 2.85Å; F288-H299 PolarHBondContact O-N 2.77Å
289	V	87.5	Confident	88.1	Confident	49 Å²	49	39.5 Å²	39.5	30%	0.297	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.7	179.6	-176.4	0	0	0	0	108.6	A239 L287 T296	A239-V289 WeakPolarHBondContact CB-O 3.16Å; L287-V289 HydrophobicContact CD1-CG2 4.44Å; L287-V289 HydrophobicContact CD2-CG2 3.99Å; L287-V289 HydrophobicContact CG-CG2 3.87Å; V289-T296 HydrophobicContact CG1-CG2 3.94Å
290	E	84.6	Confident	88	Confident	24 Å²	24	40.2 Å²	40.2	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.1	173.5	-64.8	-174.4	138.7	0	0	108.9	S186 E238 A239 T296 I297 H299	S186-E290 WeakPolarHBondContact CB-OE2 3.39Å; E238-E290 PolarHBondContact N-OE1 2.96Å; A239-E290 HydrophobicContact CB-CG 4.11Å; E290-T296 WeakPolarHBondContact O-CA 3.44Å; E290-I297 PolarHBondContact N-O 2.92Å; E290-I297 PolarHBondContact O-N 3.18Å; E290-H299 IonicContact OE2-CD2 3.91Å; E290-H299 IonicContact OE2-NE2 2.73Å; E290-H299 PolarHBondContact OE2-NE2 3.11Å
291	Q	84.1	Confident	87.9	Confident	146 Å²	146	40.6 Å²	40.6	68%	0.682	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134	124.8	-178.4	-175.9	178.8	-11.8	0	0	110.6	I295	Q291-I295 WeakPolarHBondContact CA-O 3.35Å
292	E	82.6	Confident	87.9	Confident	111 Å²	111	41.2 Å²	41.2	52%	0.519	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.1	172.9	159.8	-175.5	-142.4	0	0	108.9	F190 Q294 I295	F190-E292 HydrophobicContact CD1-CB 4.41Å; F190-E292 HydrophobicContact CD1-CG 4.35Å; F190-E292 WeakPolarHBondContact CD1-OE2 3.36Å; F190-E292 HydrophobicContact CE1-CB 3.45Å; F190-E292 VanDerWaalsContact CE1-CB 3.45Å; F190-E292 HydrophobicContact CE1-CG 3.54Å; F190-E292 WeakPolarHBondContact CE1-OE2 3.34Å; F190-E292 HydrophobicContact CE2-CB 4.12Å; F190-E292 HydrophobicContact CZ-CB 3.3Å; F190-E292 HydrophobicContact CZ-CG 3.97Å; F190-E292 WeakPolarHBondContact CZ-O 3.41Å; E292-Q294 PolarHBondContact O-N 2.9Å; E292-I295 PolarHBondContact N-O 3.09Å; E292-I295 PolarHBondContact O-N 2.92Å; E292-I295 VanDerWaalsContact O-N 3.07Å
293	D	80.2	Confident	87.9	Confident	122 Å²	122	41.7 Å²	41.7	65%	0.652	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	-116.4	-172.2	-64.7	-30.3	0	0	0	114.7
294	Q	81.4	Confident	87.8	Confident	91 Å²	91	43.8 Å²	43.8	43%	0.425	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	11.6	-177.3	-59.6	-66.5	-9.6	0	0	112.6	K203 M204 E292	K203-Q294 CarbonylContact C-O 3.55Å; K203-Q294 WeakPolarHBondContact CA-O 3.5Å; K203-Q294 HydrophobicContact CB-CB 4.42Å; K203-Q294 HydrophobicContact CG-CB 4.22Å; K203-Q294 VanDerWaalsContact CG-OE1 3.25Å; M204-Q294 PolarHBondContact N-O 2.02Å; E292-Q294 PolarHBondContact O-N 2.9Å
295	I	85.2	Confident	87.6	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.8	-174.8	-60.8	157.9	0	0	0	110.1	F190 T194 T197 M204 Q291 E292 I297	F190-I295 HydrophobicContact CE1-CB 4.07Å; F190-I295 HydrophobicContact CE1-CD1 4.08Å; F190-I295 HydrophobicContact CE1-CG2 4.36Å; F190-I295 HydrophobicContact CE2-CB 4.27Å; F190-I295 HydrophobicContact CE2-CG2 3.92Å; F190-I295 HydrophobicContact CZ-CB 3.61Å; F190-I295 HydrophobicContact CZ-CD1 4.47Å; F190-I295 HydrophobicContact CZ-CG2 3.77Å; T194-I295 VanDerWaalsContact CA-CD1 3.44Å; T194-I295 VanDerWaalsContact OG1-CD1 3.26Å; T194-I295 WeakPolarHBondContact OG1-CD1 3.48Å; T197-I295 HydrophobicContact CG2-CD1 4.05Å; T197-I295 HydrophobicContact CG2-CG1 3.79Å; M204-I295 HydrophobicContact CB-CG1 4.2Å; M204-I295 CarbonylContact O-C 3.44Å; M204-I295 VanDerWaalsContact O-CA 3.31Å; M204-I295 WeakPolarHBondContact O-CA 3.47Å; Q291-I295 WeakPolarHBondContact CA-O 3.35Å; E292-I295 PolarHBondContact N-O 3.09Å; E292-I295 PolarHBondContact O-N 2.92Å; E292-I295 VanDerWaalsContact O-N 3.07Å; I295-I297 HydrophobicContact CG2-CD1 4.44Å; I295-I297 HydrophobicContact CG2-CG1 3.96Å
296	T	87.2	Confident	87.5	Confident	30 Å²	30	47.1 Å²	47.1	18%	0.184	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125	172.1	-51.4	0	0	0	0	109	M204 T205 L206 V289 E290	M204-T296 PolarHBondContact O-N 3.49Å; T205-T296 CarbonylContact C-O 3.44Å; T205-T296 VanDerWaalsContact CA-O 3.27Å; T205-T296 WeakPolarHBondContact CA-O 3.31Å; L206-T296 PolarHBondContact N-O 3.29Å; V289-T296 HydrophobicContact CG1-CG2 3.94Å; E290-T296 WeakPolarHBondContact O-CA 3.44Å
297	I	88	Confident	87.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121	176	-51.9	-172.5	0	0	0	109	L189 F190 L206 T208 E290 I295	L189-I297 HydrophobicContact CB-CD1 4.49Å; L189-I297 HydrophobicContact CD2-CD1 4.1Å; L189-I297 HydrophobicContact CD2-CG2 4.35Å; L189-I297 HydrophobicContact CG-CD1 4.09Å; F190-I297 HydrophobicContact CB-CD1 4.41Å; F190-I297 HydrophobicContact CD2-CD1 3.57Å; F190-I297 HydrophobicContact CD2-CG1 4.08Å; F190-I297 HydrophobicContact CE2-CD1 4.1Å; F190-I297 HydrophobicContact CE2-CG1 4.11Å; F190-I297 HydrophobicContact CG-CD1 4.34Å; L206-I297 HydrophobicContact CB-CG1 4.28Å; L206-I297 HydrophobicContact CB-CG2 4.32Å; L206-I297 HydrophobicContact CD1-CD1 4.18Å; L206-I297 HydrophobicContact CD1-CG1 4.24Å; L206-I297 CarbonylContact O-C 3.55Å; L206-I297 WeakPolarHBondContact O-CA 3.17Å; T208-I297 HydrophobicContact CG2-CG2 4.02Å; E290-I297 PolarHBondContact N-O 2.92Å; E290-I297 PolarHBondContact O-N 3.18Å; I295-I297 HydrophobicContact CG2-CD1 4.44Å; I295-I297 HydrophobicContact CG2-CG1 3.96Å
298	N	88.8	Confident	87.3	Confident	35 Å²	35	45.8 Å²	45.8	19%	0.187	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	108.6	178.5	-69.4	-20.1	0	0	0	108.8	L206 E207 T208 L287 F288	L206-N298 PolarHBondContact O-N 3.12Å; E207-N298 CarbonylContact C-O 3.59Å; E207-N298 VanDerWaalsContact CA-O 3.26Å; E207-N298 WeakPolarHBondContact CA-O 3.47Å; E207-N298 HydrophobicContact CB-CB 4.36Å; T208-N298 PolarHBondContact N-O 2.92Å; L287-N298 HydrophobicContact CD1-CB 3.89Å; F288-N298 CarbonylContact O-C 3.3Å; F288-N298 WeakPolarHBondContact O-CA 3.3Å
299	H	87.9	Confident	87.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.2	170.5	-52.3	-82.1	0	0	0	109.3	T208 V212 L287 F288 E290	T208-H299 WeakPolarHBondContact OG1-CA 3.14Å; T208-H299 PolarHBondContact OG1-ND1 3.29Å; V212-H299 HydrophobicContact CG2-CB 3.47Å; V212-H299 VanDerWaalsContact CG2-CB 3.47Å; L287-H299 WeakPolarHBondContact CA-O 3.45Å; F288-H299 HydrophobicContact CB-CB 4.16Å; F288-H299 PolarHBondContact N-O 2.85Å; F288-H299 PolarHBondContact O-N 2.77Å; E290-H299 IonicContact OE2-CD2 3.91Å; E290-H299 IonicContact OE2-NE2 2.73Å; E290-H299 PolarHBondContact OE2-NE2 3.11Å
300	K	88.9	Confident	87.3	Confident	53 Å²	53	48.1 Å²	48.1	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.3	-171.3	-174.4	176.8	176.5	174.3	0	111	E207 T208 I285 C286 L287	E207-K300 HydrophobicContact CG-CB 4.23Å; T208-K300 PolarHBondContact O-N 2.81Å; I285-K300 HydrophobicContact CG2-CD 4.29Å; I285-K300 HydrophobicContact CG2-CG 3.95Å; C286-K300 WeakPolarHBondContact O-CA 2.96Å; L287-K300 HydrophobicContact CD1-CB 4.06Å; L287-K300 HydrophobicContact CD1-CG 4.47Å
301	A	88.8	Confident	87.5	Confident	8 Å²	8	47.3 Å²	47.3	7%	0.066	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141	167.9	0	0	0	0	0	109.8	V212 L214 I285 C286	V212-A301 HydrophobicContact CB-CB 4.09Å; V212-A301 HydrophobicContact CG1-CB 3.74Å; V212-A301 WeakPolarHBondContact O-CB 3.31Å; L214-A301 HydrophobicContact CB-CB 3.83Å; I285-A301 WeakPolarHBondContact CA-O 3.37Å; C286-A301 PolarHBondContact N-O 3Å; C286-A301 PolarHBondContact O-N 3.17Å
302	N	90.9	Very high	87.7	Confident	71 Å²	71	48.2 Å²	48.2	38%	0.38	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147	178.9	58.8	-7.5	0	0	0	112	E283 Y284 I285	E283-N302 HydrophobicContact CG-CB 4.19Å; E283-N302 WeakPolarHBondContact OE1-CB 3.28Å; E283-N302 PolarHBondContact OE1-ND2 3.48Å; Y284-N302 CarbonylContact O-C 3.58Å; Y284-N302 WeakPolarHBondContact O-CA 3.45Å; I285-N302 HydrophobicContact CG1-CB 4.29Å
303	A	89.6	Confident	88	Confident	27 Å²	27	44.5 Å²	44.5	22%	0.223	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150.7	163.9	0	0	0	0	0	110.9	L214 I216 Y284	L214-A303 HydrophobicContact CD2-CB 3.42Å; L214-A303 VanDerWaalsContact CD2-CB 3.42Å; I216-A303 HydrophobicContact CD1-CB 3.67Å; I216-A303 HydrophobicContact CG1-CB 4.02Å; Y284-A303 PolarHBondContact N-O 2.04Å; Y284-A303 PolarHBondContact O-N 3.43Å
304	T	90.9	Very high	88.4	Confident	100 Å²	100	41.8 Å²	41.8	61%	0.613	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.6	-178.7	44.6	0	0	0	0	111.4	G282 E283	G282-T304 WeakPolarHBondContact O-CA 3.28Å; E283-T304 HydrophobicContact CB-CG2 3.87Å; E283-T304 HydrophobicContact CG-CG2 4.06Å
305	M	89.9	Confident	88.8	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.3	171.7	-173.6	171.2	62.8	0	0	110.1	I216 V221 T227 I273 G282 Y284	I216-M305 HydrophobicContact CD1-CB 4.04Å; I216-M305 HydrophobicContact CG2-CB 4.39Å; I216-M305 HydrophobicContact CG2-CG 4.25Å; I216-M305 HydrophobicContact CG2-SD 4.08Å; V221-M305 HydrophobicContact CB-SD 4.36Å; V221-M305 HydrophobicContact CG2-CG 3.92Å; V221-M305 HydrophobicContact CG2-SD 3.53Å; V221-M305 VanDerWaalsContact CG2-SD 3.53Å; T227-M305 HydrophobicContact CG2-CE 4.09Å; T227-M305 HydrophobicContact CG2-SD 3.88Å; I273-M305 HydrophobicContact CD1-CE 4.17Å; G282-M305 PolarHBondContact N-O 3.08Å; G282-M305 VanDerWaalsContact N-O 3.14Å; G282-M305 PolarHBondContact O-N 3.01Å; Y284-M305 HydrophobicContact CD2-CB 4.07Å; Y284-M305 HydrophobicContact CE2-CB 3.82Å; Y284-M305 HydrophobicContact CE2-CE 3.49Å; Y284-M305 VanDerWaalsContact CE2-CE 3.49Å; Y284-M305 WeakPolarHBondContact OH-CE 3.35Å
306	D	89.2	Confident	89	Confident	69 Å²	69	40.5 Å²	40.5	37%	0.369	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	153.7	173.1	-155	13.9	0	0	0	111.5	T219 S220 V221 Q281	T219-D306 WeakPolarHBondContact O-CB 3.01Å; T219-D306 PolarHBondContact O-N 3.47Å; S220-D306 WeakPolarHBondContact CA-O 3.1Å; V221-D306 PolarHBondContact N-O 3.33Å; Q281-D306 PolarHBondContact NE2-OD1 2.97Å
307	I	89.5	Confident	89	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.1	-174.5	-59.8	175	0	0	0	109.4	V221 V276 S277 W280 Q281 L309	V221-I307 WeakPolarHBondContact O-CA 3.33Å; V276-I307 HydrophobicContact CG1-CD1 3.32Å; V276-I307 HydrophobicContact CG1-CG1 3.73Å; V276-I307 HydrophobicContact CG1-CG2 3.98Å; S277-I307 WeakPolarHBondContact O-CD1 3.48Å; W280-I307 VanDerWaalsContact C-CD1 3.44Å; W280-I307 HydrophobicContact CB-CD1 3.93Å; Q281-I307 HydrophobicContact CB-CB 4.42Å; Q281-I307 HydrophobicContact CB-CD1 3.85Å; Q281-I307 HydrophobicContact CB-CG1 4.14Å; Q281-I307 VanDerWaalsContact N-CD1 3.29Å; I307-L309 PolarHBondContact O-N 2.9Å
308	C	89.8	Confident	88.9	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	111.9	174.3	-63.4	0	0	0	0	109.5	V221 Y223 E344 N396 C398	V221-C308 PolarHBondContact O-N 3.39Å; Y223-C308 WeakPolarHBondContact CB-O 3.02Å; C308-E344 WeakPolarHBondContact CA-OE2 3.47Å; C308-N396 WeakPolarHBondContact CB-ND2 3.2Å; C308-C398 HydrophobicContact CB-CB 3.47Å; C308-C398 VanDerWaalsContact CB-CB 3.47Å; C308-C398 WeakPolarHBondContact CB-SG 3.14Å; C308-C398 WeakPolarHBondContact SG-CB 2.99Å; C308-C398 PolarHBondContact SG-N 2.88Å; C308-C398 CovalentContact SG-SG 2.02Å; C308-C398 PolarHBondContact SG-SG 3.14Å
309	L	88.4	Confident	88.6	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.068	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-73.5	146.7	-167	-61.2	179.5	0	0	0	112.9	E278 I307 T342 E344 Y346	E278-L309 HydrophobicContact CB-CD2 3.78Å; I307-L309 PolarHBondContact O-N 2.9Å; L309-T342 HydrophobicContact CD1-CG2 4.37Å; L309-E344 HydrophobicContact CB-CB 4Å; L309-E344 HydrophobicContact CB-CG 4.33Å; L309-E344 HydrophobicContact CD1-CB 4.12Å; L309-E344 HydrophobicContact CG-CB 4.26Å; L309-E344 PolarHBondContact N-OE2 2.81Å; L309-Y346 VanDerWaalsContact C-OH 3.24Å; L309-Y346 WeakPolarHBondContact CB-OH 3.47Å; L309-Y346 WeakPolarHBondContact O-CE1 3.42Å; L309-Y346 PolarHBondContact O-OH 2.73Å
310	K	88.3	Confident	88.4	Confident	99 Å²	99	45.4 Å²	45.4	43%	0.43	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-91.7	124.1	171.7	177.1	-178.6	177	-179	0	110.5	Y223 Y402	Y223-K310 HydrophobicContact CD1-CB 3.74Å; Y223-K310 HydrophobicContact CD1-CD 3.87Å; Y223-K310 HydrophobicContact CD1-CG 4.42Å; Y223-K310 HydrophobicContact CD2-CB 3.76Å; Y223-K310 HydrophobicContact CE1-CB 4.04Å; Y223-K310 HydrophobicContact CE1-CD 3.76Å; Y223-K310 HydrophobicContact CE2-CB 4Å; Y223-K310 HydrophobicContact CG-CB 3.63Å; K310-Y402 HydrophobicContact CB-CE2 4.29Å; K310-Y402 HydrophobicContact CD-CD1 4.37Å; K310-Y402 HydrophobicContact CD-CE1 4.05Å; K310-Y402 HydrophobicContact CG-CD1 4.12Å; K310-Y402 HydrophobicContact CG-CD2 4.34Å; K310-Y402 HydrophobicContact CG-CE1 3.98Å; K310-Y402 HydrophobicContact CG-CE2 4.18Å; K310-Y402 HydrophobicContact CG-CG 4.29Å
311	P	88.3	Confident	88.3	Confident	7 Å²	7	44.1 Å²	44.1	5%	0.045	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-75.7	134.1	177	29.1	-29.4	0	0	0	110.8	I313 I339 Y346 F394 Y402	P311-I313 HydrophobicContact CB-CG1 3.99Å; P311-I313 HydrophobicContact CG-CD1 4.17Å; P311-I313 HydrophobicContact CG-CG1 4.07Å; P311-I313 PolarHBondContact O-N 2.73Å; P311-I339 HydrophobicContact CB-CG2 3.95Å; P311-Y346 HydrophobicContact CB-CE1 4.16Å; P311-Y346 HydrophobicContact CB-CE2 4.02Å; P311-Y346 HydrophobicContact CG-CD1 4.25Å; P311-Y346 HydrophobicContact CG-CE1 3.81Å; P311-F394 HydrophobicContact CG-CB 3.79Å; P311-F394 HydrophobicContact CG-CG 4.25Å; P311-Y402 HydrophobicContact CG-CD2 4.25Å
312	K	87.6	Confident	88.1	Confident	165 Å²	165	43.8 Å²	43.8	72%	0.717	24%	0.24	S	C	*	.			trans	-85.3	97.7	164.2	-69.7	-179.6	-178.5	174.5	0	107.8
313	I	89.8	Confident	87.9	Confident	34 Å²	34	42.2 Å²	42.2	17%	0.174	23%	0.231	C	C	.	.			trans	-91.2	118.9	-173.7	-51.4	160.5	0	0	0	109.5	P311 C337 I339 F394 Y402 A404	P311-I313 HydrophobicContact CB-CG1 3.99Å; P311-I313 HydrophobicContact CG-CD1 4.17Å; P311-I313 HydrophobicContact CG-CG1 4.07Å; P311-I313 PolarHBondContact O-N 2.73Å; I313-C337 HydrophobicContact CG2-CB 4Å; I313-I339 HydrophobicContact CB-CG2 4.4Å; I313-I339 HydrophobicContact CG1-CG2 3.98Å; I313-F394 HydrophobicContact CD1-CB 4.25Å; I313-F394 HydrophobicContact CD1-CD2 3.42Å; I313-F394 VanDerWaalsContact CD1-CD2 3.42Å; I313-F394 HydrophobicContact CD1-CE2 4.04Å; I313-F394 HydrophobicContact CD1-CG 4.03Å; I313-F394 HydrophobicContact CG1-CD2 3.81Å; I313-F394 HydrophobicContact CG1-CE2 4.04Å; I313-F394 HydrophobicContact CG1-CG 4.34Å; I313-F394 HydrophobicContact CG2-CD2 4.4Å; I313-F394 HydrophobicContact CG2-CE2 3.91Å; I313-Y402 WeakPolarHBondContact CD1-O 3.16Å; I313-A404 HydrophobicContact CB-CB 3.96Å; I313-A404 HydrophobicContact CG2-CB 3.59Å
314	D	87.6	Confident	87.5	Confident	64 Å²	64	41 Å²	41	34%	0.342	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.8	168.6	-174.9	29.6	0	0	0	110	C337 E338 K436	D314-C337 WeakPolarHBondContact O-CA 3.33Å; D314-E338 HydrophobicContact CB-CB 4.43Å; D314-E338 PolarHBondContact N-O 2.96Å; D314-E338 PolarHBondContact O-N 2.81Å; D314-K436 WeakPolarHBondContact OD2-CE 3.39Å; D314-K436 IonicContact OD2-NZ 2.63Å; D314-K436 PolarHBondContact OD2-NZ 3.14Å
315	I	89.8	Confident	86.7	Confident	28 Å²	28	44.5 Å²	44.5	14%	0.144	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.3	-177	-170.9	168.8	0	0	0	109.9	V335 K336 V390 A404 M406	I315-V335 HydrophobicContact CD1-CG1 4.15Å; I315-V335 HydrophobicContact CG1-CG1 4.1Å; I315-K336 WeakPolarHBondContact CA-O 3.07Å; I315-V390 HydrophobicContact CD1-CG2 4.4Å; I315-A404 HydrophobicContact CB-CB 3.92Å; I315-A404 HydrophobicContact CD1-CB 4.47Å; I315-A404 HydrophobicContact CG2-CB 3.89Å; I315-M406 HydrophobicContact CD1-CG 3.99Å; I315-M406 HydrophobicContact CG1-CG 4.06Å; I315-M406 HydrophobicContact CG1-SD 3.95Å; I315-M406 HydrophobicContact CG2-CB 4.24Å; I315-M406 HydrophobicContact CG2-CG 4.37Å; I315-M406 HydrophobicContact CG2-SD 4.39Å
316	S	88.9	Confident	85.8	Confident	38 Å²	38	47.5 Å²	47.5	27%	0.266	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.6	175.2	62.9	0	0	0	0	111.3	V335 K336	S316-V335 WeakPolarHBondContact O-CA 3.3Å; S316-K336 PolarHBondContact N-O 2.76Å; S316-K336 PolarHBondContact O-N 2.82Å
317	A	87.6	Confident	84.7	Confident	11 Å²	11	49.7 Å²	49.7	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.2	175.3	0	0	0	0	0	109.4	P319 A320 V333 M406 V408	A317-P319 CarbonylContact O-C 3.57Å; A317-P319 VanDerWaalsContact O-C 3.29Å; A317-A320 VanDerWaalsContact O-CA 3.28Å; A317-A320 WeakPolarHBondContact O-CA 3.24Å; A317-A320 PolarHBondContact O-N 3.14Å; A317-V333 HydrophobicContact CB-CG1 3.75Å; A317-M406 HydrophobicContact CB-CE 4.02Å; A317-M406 HydrophobicContact CB-SD 4.01Å; A317-V408 HydrophobicContact CB-CG2 4.06Å
318	D	85.8	Confident	83.5	Confident	78 Å²	78	54.4 Å²	54.4	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	106.7	-179.1	-176.1	8.3	0	0	0	108.9	K334 K336	D318-K334 HydrophobicContact CB-CB 4.43Å; D318-K334 PolarHBondContact N-O 2.87Å; D318-K334 PolarHBondContact O-N 3.45Å; D318-K336 IonicContact OD2-NZ 2.7Å; D318-K336 PolarHBondContact OD2-NZ 2.8Å
319	P	83.4	Confident	82.3	Confident	39 Å²	39	56.6 Å²	56.6	25%	0.253	30%	0.301	S	S	.	.	S	Bend	cis	-74.4	150.5	-4	33.6	-33.6	0	0	0	112.5	A317 F321 P322 F331	A317-P319 CarbonylContact O-C 3.57Å; A317-P319 VanDerWaalsContact O-C 3.29Å; P319-F321 PolarHBondContact O-N 2.97Å; P319-P322 HydrophobicContact CG-CB 4.44Å; P319-P322 HydrophobicContact CG-CG 4.39Å; P319-F331 HydrophobicContact CG-CD1 4.36Å; P319-F331 HydrophobicContact CG-CE1 3.37Å; P319-F331 HydrophobicContact CG-CZ 3.48Å; P319-F331 VanDerWaalsContact CG-CZ 3.48Å
320	A	82.6	Confident	81.5	Confident	39 Å²	39	60.2 Å²	60.2	32%	0.322	32%	0.324	S	S	.	.	S	Bend	trans	-66.6	-37.1	-179	0	0	0	0	0	113	A317	A317-A320 VanDerWaalsContact O-CA 3.28Å; A317-A320 WeakPolarHBondContact O-CA 3.24Å; A317-A320 PolarHBondContact O-N 3.14Å
321	F	86.6	Confident	80.9	Confident	27 Å²	27	58.8 Å²	58.8	12%	0.118	32%	0.317	C	S	.	.	S	Bend	trans	-122.3	96.4	172.2	-59.6	-94.6	0	0	0	109.6	P319 L323 E409 I411 N426 T427 K428 F431	P319-F321 PolarHBondContact O-N 2.97Å; F321-L323 PolarHBondContact O-N 3.27Å; F321-E409 WeakPolarHBondContact CA-O 3.34Å; F321-E409 HydrophobicContact CD1-CB 3.82Å; F321-E409 WeakPolarHBondContact CD1-O 3.37Å; F321-E409 HydrophobicContact CE1-CB 3.8Å; F321-E409 HydrophobicContact CE1-CG 4.48Å; F321-I411 HydrophobicContact CB-CD1 3.71Å; F321-I411 HydrophobicContact CB-CG1 4.17Å; F321-N426 WeakPolarHBondContact CB-O 3.42Å; F321-N426 WeakPolarHBondContact CD2-O 3.45Å; F321-T427 HydrophobicContact CD2-CG2 4.22Å; F321-T427 HydrophobicContact CE1-CG2 4.37Å; F321-T427 HydrophobicContact CE2-CG2 3.74Å; F321-T427 HydrophobicContact CZ-CG2 3.83Å; F321-K428 HydrophobicContact CD1-CB 3.77Å; F321-K428 HydrophobicContact CE1-CB 4.05Å; F321-F431 HydrophobicContact CE1-CB 3.88Å; F321-F431 HydrophobicContact CE1-CD1 4.29Å; F321-F431 HydrophobicContact CE1-CD2 4.49Å; F321-F431 AromaticContact CE1-CG 3.97Å; F321-F431 HydrophobicContact CE1-CG 3.97Å; F321-F431 HydrophobicContact CZ-CB 3.94Å; F321-F431 HydrophobicContact CZ-CG 4.43Å
322	P	86.3	Confident	80.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.337	C	S	.	.			trans	-63.5	125.1	177.2	-20.7	32.9	0	0	0	110.9	P319 F331 V333 V408 E409 I411	P319-P322 HydrophobicContact CG-CB 4.44Å; P319-P322 HydrophobicContact CG-CG 4.39Å; P322-F331 HydrophobicContact CB-CB 4.46Å; P322-F331 HydrophobicContact CB-CD1 3.85Å; P322-F331 HydrophobicContact CB-CE1 4.34Å; P322-F331 HydrophobicContact CB-CG 4.01Å; P322-F331 HydrophobicContact CG-CD1 4.39Å; P322-V333 HydrophobicContact CB-CG2 4.31Å; P322-V333 HydrophobicContact CG-CG2 3.46Å; P322-V333 VanDerWaalsContact CG-CG2 3.46Å; P322-V408 HydrophobicContact CG-CG1 3.66Å; P322-E409 WeakPolarHBondContact CD-O 3.21Å; P322-I411 PolarHBondContact O-N 2.96Å
323	L	85.2	Confident	80.5	Confident	39 Å²	39	54.2 Å²	54.2	20%	0.204	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-93.2	110.2	179.3	-178.8	66.7	0	0	0	111	F321 I411 Y417	F321-L323 PolarHBondContact O-N 3.27Å; L323-I411 HydrophobicContact CD1-CB 3.87Å; L323-I411 HydrophobicContact CD1-CD1 4.28Å; L323-I411 HydrophobicContact CD1-CG2 3.53Å; L323-Y417 HydrophobicContact CD1-CD1 4.05Å; L323-Y417 HydrophobicContact CD1-CD2 4.47Å; L323-Y417 HydrophobicContact CD1-CE1 3.83Å; L323-Y417 HydrophobicContact CD1-CE2 4.26Å; L323-Y417 HydrophobicContact CD1-CG 4.37Å; L323-Y417 HydrophobicContact CD2-CE2 4.18Å
324	C	82.1	Confident	80.4	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.014	31%	0.31	C	S	.	.			trans	-83.3	120.7	175.9	-67.4	0	0	0	0	111.2	C376 V410 I411	C324-C376 HydrophobicContact CB-CB 3.57Å; C324-C376 WeakPolarHBondContact CB-SG 3.22Å; C324-C376 VanDerWaalsContact SG-CA 3.57Å; C324-C376 WeakPolarHBondContact SG-CB 3.41Å; C324-C376 CovalentContact SG-SG 2.03Å; C324-C376 PolarHBondContact SG-SG 2.78Å; C324-V410 WeakPolarHBondContact SG-CG1 3.34Å; C324-I411 WeakPolarHBondContact CB-O 3.45Å; C324-I411 PolarHBondContact N-O 3.43Å
325	K	74.4	Confident	80.5	Confident	172 Å²	172	53 Å²	53	75%	0.748	29%	0.294	S	S	*	.	S	Bend	trans	-84.1	-36.6	175.9	-66.7	-174.7	-179.5	-179.2	0	112.4
326	T	71.3	Confident	80.6	Confident	68 Å²	68	54.1 Å²	54.1	42%	0.417	30%	0.297	S	S	.	.	S	Bend	trans	-140.3	159.8	178.3	62.4	0	0	0	0	110.8	S328 T329 C376	T326-S328 PolarHBondContact O-N 3.47Å; T326-S328 PolarHBondContact OG1-OG 2.92Å; T326-T329 PolarHBondContact O-N 3.47Å; T326-T329 PolarHBondContact O-OG1 2.82Å; T326-T329 WeakPolarHBondContact OG1-CG2 3.46Å; T326-C376 WeakPolarHBondContact O-CB 3.44Å
327	E	66.3	Low	80.7	Confident	115 Å²	115	52.3 Å²	52.3	54%	0.537	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.7	179.9	-62	-169.8	152.2	0	0	114.1	P413	E327-P413 HydrophobicContact CG-CG 4.21Å
328	S	62.5	Low	80.8	Confident	101 Å²	101	53.3 Å²	53.3	71%	0.706	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-6.1	177.6	56.4	0	0	0	0	113.9	T326	T326-S328 PolarHBondContact O-N 3.47Å; T326-S328 PolarHBondContact OG1-OG 2.92Å
329	T	66.3	Low	81	Confident	49 Å²	49	49.9 Å²	49.9	30%	0.301	27%	0.269	S	S	.	.			trans	-75.6	137.7	-179.7	44.6	0	0	0	0	111.6	T326 C376	T326-T329 PolarHBondContact O-N 3.47Å; T326-T329 PolarHBondContact O-OG1 2.82Å; T326-T329 WeakPolarHBondContact OG1-CG2 3.46Å; T329-C376 WeakPolarHBondContact O-CB 3.34Å; T329-C376 PolarHBondContact O-N 3.11Å; T329-C376 PolarHBondContact O-SG 2.9Å; T329-C376 PolarHBondContact OG1-SG 2.79Å
330	V	71.6	Confident	81.1	Confident	90 Å²	90	54.3 Å²	54.3	55%	0.545	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.2	169.6	179	0	0	0	0	106.9	V373	V330-V373 HydrophobicContact CG1-CG1 3.11Å
331	F	74.3	Confident	81.2	Confident	69 Å²	69	56.4 Å²	56.4	30%	0.303	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.7	-177.4	-160.5	-77.5	0	0	0	109.8	P319 P322 V333 V374	P319-F331 HydrophobicContact CG-CD1 4.36Å; P319-F331 HydrophobicContact CG-CE1 3.37Å; P319-F331 HydrophobicContact CG-CZ 3.48Å; P319-F331 VanDerWaalsContact CG-CZ 3.48Å; P322-F331 HydrophobicContact CB-CB 4.46Å; P322-F331 HydrophobicContact CB-CD1 3.85Å; P322-F331 HydrophobicContact CB-CE1 4.34Å; P322-F331 HydrophobicContact CB-CG 4.01Å; P322-F331 HydrophobicContact CG-CD1 4.39Å; F331-V333 HydrophobicContact CD1-CG2 3.84Å; F331-V333 HydrophobicContact CE1-CG2 4.39Å; F331-V374 PolarHBondContact N-O 2.95Å; F331-V374 PolarHBondContact O-N 2.85Å
332	V	82.1	Confident	81	Confident	76 Å²	76	57.1 Å²	57.1	46%	0.461	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.9	174.1	-178.8	0	0	0	0	108.6	D371	V332-D371 HydrophobicContact CG1-CB 3.69Å
333	V	85.6	Confident	80.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.5	176.2	-178.1	0	0	0	0	108.2	A317 P322 F331 V335 K372 V374 V408	A317-V333 HydrophobicContact CB-CG1 3.75Å; P322-V333 HydrophobicContact CB-CG2 4.31Å; P322-V333 HydrophobicContact CG-CG2 3.46Å; P322-V333 VanDerWaalsContact CG-CG2 3.46Å; F331-V333 HydrophobicContact CD1-CG2 3.84Å; F331-V333 HydrophobicContact CE1-CG2 4.39Å; V333-V335 PolarHBondContact O-N 3.44Å; V333-K372 PolarHBondContact N-O 3.23Å; V333-K372 PolarHBondContact O-N 3.27Å; V333-V374 HydrophobicContact CB-CG2 4.3Å; V333-V374 HydrophobicContact CG2-CB 4.31Å; V333-V374 HydrophobicContact CG2-CG2 3.62Å; V333-V408 HydrophobicContact CG1-CG1 4.15Å; V333-V408 HydrophobicContact CG1-CG2 4.32Å; V333-V408 HydrophobicContact CG2-CG1 4.19Å
334	K	89.1	Confident	80.7	Confident	73 Å²	73	61.4 Å²	61.4	32%	0.317	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	111.3	174.3	-175.7	-172.1	-63.6	170.4	0	108.4	D318 K336	D318-K334 HydrophobicContact CB-CB 4.43Å; D318-K334 PolarHBondContact N-O 2.87Å; D318-K334 PolarHBondContact O-N 3.45Å; K334-K336 HydrophobicContact CD-CG 4.34Å; K334-K336 HydrophobicContact CG-CG 4.3Å
335	V	89.1	Confident	80.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.4	173.5	-171.1	0	0	0	0	107.6	I315 S316 V333 W350 S369 A370 K372 V390	I315-V335 HydrophobicContact CD1-CG1 4.15Å; I315-V335 HydrophobicContact CG1-CG1 4.1Å; S316-V335 WeakPolarHBondContact O-CA 3.3Å; V333-V335 PolarHBondContact O-N 3.44Å; V335-W350 HydrophobicContact CB-CZ3 4.12Å; V335-W350 HydrophobicContact CG1-CZ3 3.89Å; V335-S369 CarbonylContact O-C 3.52Å; V335-S369 VanDerWaalsContact O-CA 3.25Å; V335-S369 WeakPolarHBondContact O-CA 3.35Å; V335-A370 PolarHBondContact N-O 3.03Å; V335-A370 PolarHBondContact O-N 3.44Å; V335-K372 HydrophobicContact CG2-CB 4.45Å; V335-V390 HydrophobicContact CG1-CB 4.21Å; V335-V390 HydrophobicContact CG1-CG2 3.93Å; V335-V390 HydrophobicContact CG2-CB 3.78Å; V335-V390 HydrophobicContact CG2-CG1 3.74Å; V335-V390 HydrophobicContact CG2-CG2 3.9Å
336	K	90.8	Very high	81.5	Confident	50 Å²	50	59 Å²	59	22%	0.217	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.7	177.6	-59.5	176.6	-168.6	161.2	0	108.7	I315 S316 D318 K334 I367 Y368	I315-K336 WeakPolarHBondContact CA-O 3.07Å; S316-K336 PolarHBondContact N-O 2.76Å; S316-K336 PolarHBondContact O-N 2.82Å; D318-K336 IonicContact OD2-NZ 2.7Å; D318-K336 PolarHBondContact OD2-NZ 2.8Å; K334-K336 HydrophobicContact CD-CG 4.34Å; K334-K336 HydrophobicContact CG-CG 4.3Å; K336-I367 HydrophobicContact CB-CG2 4.4Å; K336-Y368 CarbonylContact C-O 3.58Å; K336-Y368 WeakPolarHBondContact CA-O 3.27Å
337	C	91.2	Very high	82.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.1	169.1	-66.4	0	0	0	0	108.6	I313 D314 W350 Y368 C392 F394	I313-C337 HydrophobicContact CG2-CB 4Å; D314-C337 WeakPolarHBondContact O-CA 3.33Å; C337-W350 HydrophobicContact CB-CH2 4.22Å; C337-Y368 PolarHBondContact N-O 2.99Å; C337-Y368 PolarHBondContact O-N 3.37Å; C337-C392 HydrophobicContact CB-CB 3.91Å; C337-C392 WeakPolarHBondContact CB-SG 3.46Å; C337-C392 WeakPolarHBondContact SG-CB 3.39Å; C337-C392 CovalentContact SG-SG 2.02Å; C337-C392 PolarHBondContact SG-SG 3.23Å; C337-F394 HydrophobicContact CB-CE2 3.97Å; C337-F394 HydrophobicContact CB-CZ 4.09Å
338	E	90	Very high	83.4	Confident	33 Å²	33	55.1 Å²	55.1	15%	0.154	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.5	179.9	-60.5	179.3	-158.3	0	0	109.5	D314 K365 I367 K436	D314-E338 HydrophobicContact CB-CB 4.43Å; D314-E338 PolarHBondContact N-O 2.96Å; D314-E338 PolarHBondContact O-N 2.81Å; E338-K365 IonicContact OE2-NZ 2.86Å; E338-K365 PolarHBondContact OE2-NZ 3.05Å; E338-I367 HydrophobicContact CG-CG1 4.23Å; E338-I367 HydrophobicContact CG-CG2 4.43Å; E338-K436 IonicContact OE2-NZ 2.9Å; E338-K436 PolarHBondContact OE2-NZ 3.26Å
339	I	90.3	Very high	84.7	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.6	167.6	64.6	169.2	0	0	0	109.6	P311 I313 Y346 K365 L366 Y368 F394	P311-I339 HydrophobicContact CB-CG2 3.95Å; I313-I339 HydrophobicContact CB-CG2 4.4Å; I313-I339 HydrophobicContact CG1-CG2 3.98Å; I339-Y346 HydrophobicContact CD1-CD2 3.63Å; I339-Y346 HydrophobicContact CD1-CE2 3.89Å; I339-K365 CarbonylContact O-C 3.51Å; I339-K365 WeakPolarHBondContact O-CA 3.48Å; I339-L366 HydrophobicContact CD1-CB 4.41Å; I339-L366 HydrophobicContact CD1-CD1 4.17Å; I339-L366 HydrophobicContact CG1-CB 3.83Å; I339-L366 HydrophobicContact CG1-CD1 4.35Å; I339-L366 PolarHBondContact N-O 2.95Å; I339-L366 PolarHBondContact O-N 2.84Å; I339-Y368 HydrophobicContact CD1-CE2 3.88Å; I339-Y368 HydrophobicContact CG1-CE2 4.01Å; I339-F394 HydrophobicContact CD1-CD1 4.28Å; I339-F394 HydrophobicContact CD1-CE1 3.87Å; I339-F394 HydrophobicContact CG1-CE1 4.39Å; I339-F394 HydrophobicContact CG2-CD1 4.44Å; I339-F394 HydrophobicContact CG2-CE1 3.9Å; I339-F394 HydrophobicContact CG2-CZ 3.97Å
340	K	86.4	Confident	85.8	Confident	133 Å²	133	51.9 Å²	51.9	58%	0.578	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	150	169.5	-166.1	179.3	-179.3	-174.1	0	109.7	T342 D364	K340-T342 PolarHBondContact O-N 2.68Å; K340-D364 WeakPolarHBondContact CE-OD2 3.33Å; K340-D364 IonicContact NZ-OD2 2.78Å
341	N	84.8	Confident	86.4	Confident	83 Å²	83	48.2 Å²	48.2	44%	0.444	26%	0.26	S	S	.	.			trans	-64.1	123.4	173.2	-167.9	7.5	0	0	0	110.3	D364 L366	N341-D364 PolarHBondContact N-O 2.75Å; N341-L366 HydrophobicContact CB-CG 4.45Å
342	T	82.1	Confident	86.3	Confident	42 Å²	42	53.6 Å²	53.6	26%	0.258	29%	0.286	S	S	.	.			trans	-130	158.5	-175.8	54.5	0	0	0	0	110.8	L309 K340 E344 Y346	L309-T342 HydrophobicContact CD1-CG2 4.37Å; K340-T342 PolarHBondContact O-N 2.68Å; T342-E344 VanDerWaalsContact C-N 3.3Å; T342-E344 PolarHBondContact OG1-O 3.45Å; T342-Y346 WeakPolarHBondContact OG1-CE2 3.16Å
343	T	79.5	Confident	85.8	Confident	112 Å²	112	52.9 Å²	52.9	69%	0.687	29%	0.294	S	S	*	.	S	Bend	trans	-74.3	-22.7	171.9	49.8	0	0	0	0	113.1
344	E	84.4	Confident	85.7	Confident	17 Å²	17	54 Å²	54	8%	0.079	30%	0.303	C	S	.	.	S	Bend	trans	-68.3	138.7	175.4	-172.2	85.3	-164.7	0	0	110.9	C308 L309 T342 Y346 N396 E397	C308-E344 WeakPolarHBondContact CA-OE2 3.47Å; L309-E344 HydrophobicContact CB-CB 4Å; L309-E344 HydrophobicContact CB-CG 4.33Å; L309-E344 HydrophobicContact CD1-CB 4.12Å; L309-E344 HydrophobicContact CG-CB 4.26Å; L309-E344 PolarHBondContact N-OE2 2.81Å; T342-E344 VanDerWaalsContact C-N 3.3Å; T342-E344 PolarHBondContact OG1-O 3.45Å; E344-Y346 HydrophobicContact CB-CE1 4.48Å; E344-Y346 HydrophobicContact CB-CE2 4.12Å; E344-Y346 HydrophobicContact CG-CD1 4.26Å; E344-Y346 HydrophobicContact CG-CE1 3.72Å; E344-Y346 HydrophobicContact CG-CE2 4.19Å; E344-N396 HydrophobicContact CG-CB 4.43Å; E344-N396 WeakPolarHBondContact OE1-CB 3.47Å; E344-E397 VanDerWaalsContact OE1-CB 3.28Å; E344-E397 WeakPolarHBondContact OE1-CB 3.37Å; E344-E397 VanDerWaalsContact OE1-CG 3.28Å; E344-E397 WeakPolarHBondContact OE1-CG 3.29Å; E344-E397 PolarHBondContact OE1-N 3.31Å
345	T	85.1	Confident	85.4	Confident	100 Å²	100	55.9 Å²	55.9	61%	0.613	32%	0.315	S	S	*	.			trans	-96.6	122.8	171.8	58.8	0	0	0	0	111.1	E397	T345-E397 PolarHBondContact OG1-OE1 3.34Å; T345-E397 VanDerWaalsContact OG1-OE1 3.08Å
346	Y	88.1	Confident	85.3	Confident	23 Å²	23	61.3 Å²	61.3	9%	0.09	34%	0.341	C	S	.	.			trans	-104.1	137.3	-179.4	-62.9	-72.8	0	0	0	112.4	L309 P311 I339 T342 E344 F394 T395 N396	L309-Y346 VanDerWaalsContact C-OH 3.24Å; L309-Y346 WeakPolarHBondContact CB-OH 3.47Å; L309-Y346 WeakPolarHBondContact O-CE1 3.42Å; L309-Y346 PolarHBondContact O-OH 2.73Å; P311-Y346 HydrophobicContact CB-CE1 4.16Å; P311-Y346 HydrophobicContact CB-CE2 4.02Å; P311-Y346 HydrophobicContact CG-CD1 4.25Å; P311-Y346 HydrophobicContact CG-CE1 3.81Å; I339-Y346 HydrophobicContact CD1-CD2 3.63Å; I339-Y346 HydrophobicContact CD1-CE2 3.89Å; T342-Y346 WeakPolarHBondContact OG1-CE2 3.16Å; E344-Y346 HydrophobicContact CB-CE1 4.48Å; E344-Y346 HydrophobicContact CB-CE2 4.12Å; E344-Y346 HydrophobicContact CG-CD1 4.26Å; E344-Y346 HydrophobicContact CG-CE1 3.72Å; E344-Y346 HydrophobicContact CG-CE2 4.19Å; Y346-F394 HydrophobicContact CD1-CB 4.31Å; Y346-F394 HydrophobicContact CD2-CD1 4.34Å; Y346-F394 HydrophobicContact CG-CB 4.48Å; Y346-F394 AromaticContact CG-CD1 3.98Å; Y346-F394 HydrophobicContact CG-CD1 3.98Å; Y346-T395 WeakPolarHBondContact CA-O 3.26Å; Y346-N396 HydrophobicContact CD1-CB 4.07Å; Y346-N396 HydrophobicContact CE1-CB 3.8Å
347	S	87.6	Confident	85.1	Confident	81 Å²	81	62.2 Å²	62.2	57%	0.566	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.5	165.4	177.9	0	0	0	0	109.7	F394 T395	S347-F394 CarbonylContact O-C 3.56Å; S347-F394 WeakPolarHBondContact O-CA 3.45Å; S347-T395 PolarHBondContact N-O 2.79Å; S347-T395 PolarHBondContact O-N 3.46Å
348	V	90.4	Very high	84.8	Confident	20 Å²	20	67.5 Å²	67.5	12%	0.121	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.2	-176.1	-172.5	0	0	0	0	110.4	W350 Y368 N393 F394	V348-W350 HydrophobicContact CG1-CZ2 4.28Å; V348-Y368 HydrophobicContact CB-CD1 4.15Å; V348-Y368 HydrophobicContact CB-CE1 4.43Å; V348-Y368 HydrophobicContact CG1-CD1 4.46Å; V348-Y368 HydrophobicContact CG2-CD1 3.55Å; V348-Y368 HydrophobicContact CG2-CE1 3.5Å; V348-Y368 HydrophobicContact CG2-CG 4.08Å; V348-N393 CarbonylContact C-O 3.53Å; V348-N393 WeakPolarHBondContact CA-O 3.49Å; V348-F394 HydrophobicContact CG1-CD2 4.45Å; V348-F394 HydrophobicContact CG1-CE2 4.14Å; V348-F394 HydrophobicContact CG1-CZ 4.17Å; V348-F394 HydrophobicContact CG2-CD1 3.56Å; V348-F394 HydrophobicContact CG2-CD2 4.49Å; V348-F394 HydrophobicContact CG2-CE1 3.39Å; V348-F394 HydrophobicContact CG2-CE2 4.38Å; V348-F394 HydrophobicContact CG2-CG 4.11Å; V348-F394 HydrophobicContact CG2-CZ 3.84Å
349	S	90.3	Very high	84.6	Confident	52 Å²	52	69.7 Å²	69.7	36%	0.364	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.6	175.1	55.7	0	0	0	0	111	C392 N393	S349-C392 WeakPolarHBondContact O-CA 3.31Å; S349-N393 PolarHBondContact N-O 2.78Å; S349-N393 PolarHBondContact O-N 3Å; S349-N393 WeakPolarHBondContact OG-CB 3.5Å; S349-N393 PolarHBondContact OG-O 3.28Å
350	W	89.6	Confident	84.4	Confident	31 Å²	31	72.9 Å²	72.9	12%	0.117	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	169.5	-172.2	-60.9	92.5	0	0	0	111.6	V335 C337 V348 A354 A370 C392	V335-W350 HydrophobicContact CB-CZ3 4.12Å; V335-W350 HydrophobicContact CG1-CZ3 3.89Å; C337-W350 HydrophobicContact CB-CH2 4.22Å; V348-W350 HydrophobicContact CG1-CZ2 4.28Å; W350-A354 HydrophobicContact CB-CB 3.89Å; W350-A370 HydrophobicContact CD2-CB 3.47Å; W350-A370 VanDerWaalsContact CD2-CB 3.47Å; W350-A370 HydrophobicContact CE3-CB 3.58Å; W350-A370 HydrophobicContact CG-CB 3.97Å; W350-A370 HydrophobicContact CH2-CB 4.04Å; W350-A370 HydrophobicContact CZ2-CB 3.95Å; W350-A370 HydrophobicContact CZ3-CB 3.87Å; W350-C392 HydrophobicContact CD2-CB 4.38Å; W350-C392 HydrophobicContact CE3-CB 3.84Å; W350-C392 HydrophobicContact CH2-CB 4.08Å; W350-C392 HydrophobicContact CZ3-CB 3.68Å
351	Q	83.8	Confident	84.4	Confident	12 Å²	12	71 Å²	71	6%	0.056	41%	0.412	C	S	.	.			trans	-59.1	152.4	171.1	67.7	-79.4	-12	0	0	113.4	G353 A354 K372 Y391	Q351-G353 PolarHBondContact O-N 3.41Å; Q351-A354 HydrophobicContact CG-CB 4.16Å; Q351-A354 VanDerWaalsContact O-CB 3.28Å; Q351-A354 WeakPolarHBondContact O-CB 3.45Å; Q351-A354 PolarHBondContact O-N 3.12Å; Q351-A354 VanDerWaalsContact O-N 3.11Å; Q351-K372 HydrophobicContact CG-CD 4.22Å; Q351-Y391 VanDerWaalsContact CA-CZ 3.48Å; Q351-Y391 HydrophobicContact CB-CD1 3.88Å; Q351-Y391 HydrophobicContact CB-CE1 3.46Å; Q351-Y391 VanDerWaalsContact CB-CE1 3.46Å; Q351-Y391 PolarHBondContact OE1-O 3.26Å
352	E	72.8	Confident	84.3	Confident	182 Å²	182	73.3 Å²	73.3	85%	0.85	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	130.9	177.2	-162.1	174.1	-174.4	0	0	111.4	K372	E352-K372 PolarHBondContact O-NZ 2.79Å
353	G	71.3	Confident	84.3	Confident	61 Å²	61	75.1 Å²	75.1	63%	0.629	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	15	-177	0	0	0	0	0	115.9	Q351	Q351-G353 PolarHBondContact O-N 3.41Å
354	A	82.6	Confident	84.3	Confident	24 Å²	24	74.1 Å²	74.1	20%	0.198	44%	0.437	C	S	.	.			trans	-83.2	141	166.9	0	0	0	0	0	111.1	W350 Q351 A370	W350-A354 HydrophobicContact CB-CB 3.89Å; Q351-A354 HydrophobicContact CG-CB 4.16Å; Q351-A354 VanDerWaalsContact O-CB 3.28Å; Q351-A354 WeakPolarHBondContact O-CB 3.45Å; Q351-A354 PolarHBondContact O-N 3.12Å; Q351-A354 VanDerWaalsContact O-N 3.11Å; A354-A370 HydrophobicContact CB-CB 4.09Å
355	I	83.3	Confident	84.3	Confident	112 Å²	112	77.4 Å²	77.4	57%	0.574	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.5	176.8	-56.6	172.4	0	0	0	108.4	A370 D371	I355-A370 CarbonylContact O-C 3.58Å; I355-A370 VanDerWaalsContact O-CA 3.24Å; I355-A370 WeakPolarHBondContact O-CA 3.46Å; I355-D371 HydrophobicContact CB-CB 4.45Å; I355-D371 PolarHBondContact N-O 3Å; I355-D371 PolarHBondContact O-N 3.09Å
356	E	87	Confident	84.5	Confident	114 Å²	114	73.6 Å²	73.6	53%	0.533	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.9	-179.6	-176.1	170.2	-158.2	0	0	112.1
357	K	86.4	Confident	84.6	Confident	70 Å²	70	73 Å²	73	30%	0.304	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.2	174.1	-72.7	-178.7	171.4	164.9	0	110.5	M359 S369 D371	K357-M359 PolarHBondContact O-N 3Å; K357-S369 WeakPolarHBondContact CB-O 3.33Å; K357-S369 PolarHBondContact N-O 2.8Å; K357-D371 VanDerWaalsContact CE-CG 3.44Å; K357-D371 WeakPolarHBondContact CE-OD1 3.47Å; K357-D371 WeakPolarHBondContact CE-OD2 3.44Å; K357-D371 IonicContact NZ-OD1 2.64Å; K357-D371 PolarHBondContact NZ-OD1 2.88Å; K357-D371 IonicContact NZ-OD2 2.71Å; K357-D371 PolarHBondContact NZ-OD2 3.38Å
358	P	85.5	Confident	84.7	Confident	111 Å²	111	70.5 Å²	70.5	72%	0.721	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	139.6	175.6	23.7	-33.2	0	0	0	111.1	T360	P358-T360 PolarHBondContact O-N 3.34Å
359	M	85	Confident	84.8	Confident	78 Å²	78	70.1 Å²	70.1	38%	0.384	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	132.2	175.1	176.7	-134.7	65.6	0	0	110.3	K357 L366 I367 Y368	K357-M359 PolarHBondContact O-N 3Å; M359-L366 HydrophobicContact CE-CD2 4.47Å; M359-L366 HydrophobicContact CG-CB 4.46Å; M359-L366 HydrophobicContact SD-CB 4.25Å; M359-L366 HydrophobicContact SD-CD2 3.91Å; M359-L366 HydrophobicContact SD-CG 4.46Å; M359-I367 WeakPolarHBondContact CA-O 3.38Å; M359-Y368 HydrophobicContact CB-CD1 4.02Å; M359-Y368 HydrophobicContact CB-CE1 3.91Å; M359-Y368 HydrophobicContact CG-CD1 4.1Å; M359-Y368 HydrophobicContact CG-CD2 4.34Å; M359-Y368 HydrophobicContact CG-CE1 3.8Å; M359-Y368 HydrophobicContact CG-CE2 4.03Å; M359-Y368 HydrophobicContact CG-CG 4.38Å; M359-Y368 HydrophobicContact SD-CE1 4.45Å
360	T	87.2	Confident	84.9	Confident	72 Å²	72	67.6 Å²	67.6	44%	0.442	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.9	176.3	50.8	0	0	0	0	110.5	P358 I367	P358-T360 PolarHBondContact O-N 3.34Å; T360-I367 PolarHBondContact N-O 3.32Å; T360-I367 WeakPolarHBondContact O-CB 3.47Å; T360-I367 PolarHBondContact O-N 2.82Å
361	P	85.1	Confident	84.8	Confident	94 Å²	94	67.6 Å²	67.6	61%	0.61	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.4	171.5	30.7	-28.5	0	0	0	110.1	K365 L366	P361-K365 WeakPolarHBondContact CA-O 3.3Å; P361-L366 HydrophobicContact CB-CD2 4.13Å
362	E	82.8	Confident	84.9	Confident	132 Å²	132	69.1 Å²	69.1	62%	0.617	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	97.2	177.9	-167.5	175.2	179.9	0	0	109.7	D364 K365 I367	E362-D364 PolarHBondContact O-N 3.23Å; E362-K365 PolarHBondContact N-O 3.19Å; E362-K365 WeakPolarHBondContact O-CB 3.47Å; E362-K365 PolarHBondContact O-N 2.82Å; E362-K365 VanDerWaalsContact O-N 3.1Å; E362-I367 HydrophobicContact CB-CD1 3.94Å; E362-I367 WeakPolarHBondContact OE2-CD1 2.77Å
363	G	81.8	Confident	85.4	Confident	79 Å²	79	64.3 Å²	64.3	81%	0.814	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	-117.4	-175	0	0	0	0	0	112.3	K365	G363-K365 VanDerWaalsContact C-N 3.33Å
364	D	80.7	Confident	85.7	Confident	92 Å²	92	61.7 Å²	61.7	49%	0.492	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	17	178.1	-165.7	32.6	0	0	0	112.9	K340 N341 E362	K340-D364 WeakPolarHBondContact CE-OD2 3.33Å; K340-D364 IonicContact NZ-OD2 2.78Å; N341-D364 PolarHBondContact N-O 2.75Å; E362-D364 PolarHBondContact O-N 3.23Å
365	K	84.6	Confident	85.4	Confident	86 Å²	86	65 Å²	65	37%	0.374	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.4	-177.8	-61.2	-179.2	177.2	-174.4	0	112.4	E338 I339 P361 E362 G363	E338-K365 IonicContact OE2-NZ 2.86Å; E338-K365 PolarHBondContact OE2-NZ 3.05Å; I339-K365 CarbonylContact O-C 3.51Å; I339-K365 WeakPolarHBondContact O-CA 3.48Å; P361-K365 WeakPolarHBondContact CA-O 3.3Å; E362-K365 PolarHBondContact N-O 3.19Å; E362-K365 WeakPolarHBondContact O-CB 3.47Å; E362-K365 PolarHBondContact O-N 2.82Å; E362-K365 VanDerWaalsContact O-N 3.1Å; G363-K365 VanDerWaalsContact C-N 3.33Å
366	L	88.8	Confident	84.9	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.099	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.8	167.7	-55.1	173.4	0	0	0	108.2	I339 N341 M359 P361 Y368	I339-L366 HydrophobicContact CD1-CB 4.41Å; I339-L366 HydrophobicContact CD1-CD1 4.17Å; I339-L366 HydrophobicContact CG1-CB 3.83Å; I339-L366 HydrophobicContact CG1-CD1 4.35Å; I339-L366 PolarHBondContact N-O 2.95Å; I339-L366 PolarHBondContact O-N 2.84Å; N341-L366 HydrophobicContact CB-CG 4.45Å; M359-L366 HydrophobicContact CE-CD2 4.47Å; M359-L366 HydrophobicContact CG-CB 4.46Å; M359-L366 HydrophobicContact SD-CB 4.25Å; M359-L366 HydrophobicContact SD-CD2 3.91Å; M359-L366 HydrophobicContact SD-CG 4.46Å; P361-L366 HydrophobicContact CB-CD2 4.13Å; L366-Y368 HydrophobicContact CB-CE2 3.88Å
367	I	89.6	Confident	84.1	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.062	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.6	-177.1	-50.7	-177.9	0	0	0	108.7	K336 E338 M359 T360 E362	K336-I367 HydrophobicContact CB-CG2 4.4Å; E338-I367 HydrophobicContact CG-CG1 4.23Å; E338-I367 HydrophobicContact CG-CG2 4.43Å; M359-I367 WeakPolarHBondContact CA-O 3.38Å; T360-I367 PolarHBondContact N-O 3.32Å; T360-I367 WeakPolarHBondContact O-CB 3.47Å; T360-I367 PolarHBondContact O-N 2.82Å; E362-I367 HydrophobicContact CB-CD1 3.94Å; E362-I367 WeakPolarHBondContact OE2-CD1 2.77Å
368	Y	91.2	Very high	82.7	Confident	27 Å²	27	61.4 Å²	61.4	11%	0.106	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.4	172.7	-63.5	-97.7	0	0	0	108.2	K336 C337 I339 V348 M359 L366 F394	K336-Y368 CarbonylContact C-O 3.58Å; K336-Y368 WeakPolarHBondContact CA-O 3.27Å; C337-Y368 PolarHBondContact N-O 2.99Å; C337-Y368 PolarHBondContact O-N 3.37Å; I339-Y368 HydrophobicContact CD1-CE2 3.88Å; I339-Y368 HydrophobicContact CG1-CE2 4.01Å; V348-Y368 HydrophobicContact CB-CD1 4.15Å; V348-Y368 HydrophobicContact CB-CE1 4.43Å; V348-Y368 HydrophobicContact CG1-CD1 4.46Å; V348-Y368 HydrophobicContact CG2-CD1 3.55Å; V348-Y368 HydrophobicContact CG2-CE1 3.5Å; V348-Y368 HydrophobicContact CG2-CG 4.08Å; M359-Y368 HydrophobicContact CB-CD1 4.02Å; M359-Y368 HydrophobicContact CB-CE1 3.91Å; M359-Y368 HydrophobicContact CG-CD1 4.1Å; M359-Y368 HydrophobicContact CG-CD2 4.34Å; M359-Y368 HydrophobicContact CG-CE1 3.8Å; M359-Y368 HydrophobicContact CG-CE2 4.03Å; M359-Y368 HydrophobicContact CG-CG 4.38Å; M359-Y368 HydrophobicContact SD-CE1 4.45Å; L366-Y368 HydrophobicContact CB-CE2 3.88Å; Y368-F394 AromaticContact CD2-CE1 3.66Å; Y368-F394 HydrophobicContact CD2-CE1 3.66Å; Y368-F394 AromaticContact CD2-CZ 3.69Å; Y368-F394 HydrophobicContact CD2-CZ 3.69Å; Y368-F394 AromaticContact CE2-CE1 3.64Å; Y368-F394 HydrophobicContact CE2-CE1 3.64Å; Y368-F394 HydrophobicContact CE2-CZ 4.16Å; Y368-F394 HydrophobicContact CG-CE1 4.22Å; Y368-F394 HydrophobicContact CG-CZ 4.06Å
369	S	91.6	Very high	81.1	Confident	12 Å²	12	57.9 Å²	57.9	8%	0.084	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144	-176.4	-65.4	0	0	0	0	111.7	V335 K357	V335-S369 CarbonylContact O-C 3.52Å; V335-S369 VanDerWaalsContact O-CA 3.25Å; V335-S369 WeakPolarHBondContact O-CA 3.35Å; K357-S369 WeakPolarHBondContact CB-O 3.33Å; K357-S369 PolarHBondContact N-O 2.8Å
370	A	91.6	Very high	79.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.6	168.5	0	0	0	0	0	111.1	V335 W350 A354 I355	V335-A370 PolarHBondContact N-O 3.03Å; V335-A370 PolarHBondContact O-N 3.44Å; W350-A370 HydrophobicContact CD2-CB 3.47Å; W350-A370 VanDerWaalsContact CD2-CB 3.47Å; W350-A370 HydrophobicContact CE3-CB 3.58Å; W350-A370 HydrophobicContact CG-CB 3.97Å; W350-A370 HydrophobicContact CH2-CB 4.04Å; W350-A370 HydrophobicContact CZ2-CB 3.95Å; W350-A370 HydrophobicContact CZ3-CB 3.87Å; A354-A370 HydrophobicContact CB-CB 4.09Å; I355-A370 CarbonylContact O-C 3.58Å; I355-A370 VanDerWaalsContact O-CA 3.24Å; I355-A370 WeakPolarHBondContact O-CA 3.46Å
371	D	88.9	Confident	76.7	Confident	30 Å²	30	60.8 Å²	60.8	16%	0.16	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.7	175.8	-73.4	-5.7	0	0	0	109.8	V332 I355 K357	V332-D371 HydrophobicContact CG1-CB 3.69Å; I355-D371 HydrophobicContact CB-CB 4.45Å; I355-D371 PolarHBondContact N-O 3Å; I355-D371 PolarHBondContact O-N 3.09Å; K357-D371 VanDerWaalsContact CE-CG 3.44Å; K357-D371 WeakPolarHBondContact CE-OD1 3.47Å; K357-D371 WeakPolarHBondContact CE-OD2 3.44Å; K357-D371 IonicContact NZ-OD1 2.64Å; K357-D371 PolarHBondContact NZ-OD1 2.88Å; K357-D371 IonicContact NZ-OD2 2.71Å; K357-D371 PolarHBondContact NZ-OD2 3.38Å
372	K	84.8	Confident	74.6	Confident	44 Å²	44	62.1 Å²	62.1	19%	0.191	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.6	173.9	-174.3	62.9	171.8	179.7	0	110.2	V333 V335 Q351 E352 V390	V333-K372 PolarHBondContact N-O 3.23Å; V333-K372 PolarHBondContact O-N 3.27Å; V335-K372 HydrophobicContact CG2-CB 4.45Å; Q351-K372 HydrophobicContact CG-CD 4.22Å; E352-K372 PolarHBondContact O-NZ 2.79Å; K372-V390 HydrophobicContact CB-CG1 4.38Å; K372-V390 HydrophobicContact CG-CG1 4.21Å
373	V	82.9	Confident	72.6	Confident	81 Å²	81	61.1 Å²	61.1	49%	0.491	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.2	176.6	-177.5	0	0	0	0	109.7	V330	V330-V373 HydrophobicContact CG1-CG1 3.11Å
374	V	79.4	Confident	70.7	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.036	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.4	177.7	-179.8	0	0	0	0	109.5	F331 V333 P388 V410	F331-V374 PolarHBondContact N-O 2.95Å; F331-V374 PolarHBondContact O-N 2.85Å; V333-V374 HydrophobicContact CB-CG2 4.3Å; V333-V374 HydrophobicContact CG2-CB 4.31Å; V333-V374 HydrophobicContact CG2-CG2 3.62Å; V374-P388 HydrophobicContact CG1-CG 3.93Å; V374-P388 HydrophobicContact CG2-CG 3.83Å; V374-V410 HydrophobicContact CG1-CG2 3.45Å; V374-V410 VanDerWaalsContact CG1-CG2 3.45Å
375	N	75.5	Confident	68.9	Low	94 Å²	94	63 Å²	63	50%	0.503	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.4	-178.8	-167.4	-16.9	0	0	0	110.4	K377	N375-K377 VanDerWaalsContact C-N 3.26Å; N375-K377 PolarHBondContact O-N 2.79Å; N375-K377 WeakPolarHBondContact OD1-CB 3.4Å; N375-K377 PolarHBondContact OD1-N 2.87Å; N375-K377 VanDerWaalsContact OD1-N 3.13Å
376	C	73.3	Confident	67.4	Low	0 Å²	0	61.6 Å²	61.6	0%	0	40%	0.4	C	S	.	.			trans	-84.4	11.6	178	-67.8	0	0	0	0	114.5	C324 T326 T329	C324-C376 HydrophobicContact CB-CB 3.57Å; C324-C376 WeakPolarHBondContact CB-SG 3.22Å; C324-C376 VanDerWaalsContact SG-CA 3.57Å; C324-C376 WeakPolarHBondContact SG-CB 3.41Å; C324-C376 CovalentContact SG-SG 2.03Å; C324-C376 PolarHBondContact SG-SG 2.78Å; T326-C376 WeakPolarHBondContact O-CB 3.44Å; T329-C376 WeakPolarHBondContact O-CB 3.34Å; T329-C376 PolarHBondContact O-N 3.11Å; T329-C376 PolarHBondContact O-SG 2.9Å; T329-C376 PolarHBondContact OG1-SG 2.79Å
377	K	70.3	Confident	66.3	Low	144 Å²	144	62.3 Å²	62.3	63%	0.626	41%	0.407	S	S	*	.			trans	-85.3	113.4	178.3	-163.3	176.1	-175.7	-177.6	0	110.9	N375 G379	N375-K377 VanDerWaalsContact C-N 3.26Å; N375-K377 PolarHBondContact O-N 2.79Å; N375-K377 WeakPolarHBondContact OD1-CB 3.4Å; N375-K377 PolarHBondContact OD1-N 2.87Å; N375-K377 VanDerWaalsContact OD1-N 3.13Å; K377-G379 PolarHBondContact O-N 2.88Å
378	S	56.3	Low	65.7	Low	76 Å²	76	63.3 Å²	63.3	53%	0.531	41%	0.414	S	S	.	.			trans	-65.6	116.6	170.4	-175.4	0	0	0	0	109.1	G380	S378-G380 PolarHBondContact O-N 2.96Å
379	G	51.8	Low	65.4	Low	37 Å²	37	66.2 Å²	66.2	38%	0.381	43%	0.431	S	S	.	.			trans	-71.1	113.9	-179.4	0	0	0	0	0	111.4	K377 D381	K377-G379 PolarHBondContact O-N 2.88Å; G379-D381 PolarHBondContact O-N 3.01Å
380	G	44.4	Very low	65.1	Low	86 Å²	86	65.7 Å²	65.7	89%	0.887	43%	0.428	S	S	*	.			trans	-75.9	14.2	171.2	0	0	0	0	0	115.2	S378	S378-G380 PolarHBondContact O-N 2.96Å
381	D	36.3	Very low	65.1	Low	126 Å²	126	69.4 Å²	69.4	67%	0.674	44%	0.442	S	S	*	.	S	Bend	trans	-122.2	128.1	176.7	-89.8	-31.3	0	0	0	110.8	G379 S383	G379-D381 PolarHBondContact O-N 3.01Å; D381-S383 PolarHBondContact O-N 3.47Å
382	S	40.7	Very low	65.2	Low	121 Å²	121	68 Å²	68	85%	0.846	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	38.8	-168.4	55.3	0	0	0	0	115.8
383	S	39.3	Very low	65.5	Low	111 Å²	111	68 Å²	68	78%	0.776	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	0.8	176.6	64.4	0	0	0	0	116.5	D381	D381-S383 PolarHBondContact O-N 3.47Å
384	S	42.9	Very low	66	Low	94 Å²	94	64.2 Å²	64.2	66%	0.657	41%	0.414	S	S	*	.			trans	-143.9	35.6	175.4	59.3	0	0	0	0	114.8	G386	S384-G386 PolarHBondContact O-N 2.92Å
385	T	42.3	Very low	66.5	Low	117 Å²	117	65.4 Å²	65.4	72%	0.718	42%	0.421	S	S	*	.			trans	-76.7	51.8	168.6	49.6	0	0	0	0	111.9
386	G	53.8	Low	67.2	Low	56 Å²	56	61.2 Å²	61.2	58%	0.577	40%	0.399	S	S	*	.			trans	-113	117.6	-178.7	0	0	0	0	0	111	S384	S384-G386 PolarHBondContact O-N 2.92Å
387	S	66.3	Low	67.9	Low	35 Å²	35	66.6 Å²	66.6	25%	0.245	42%	0.424	C	S	.	.			trans	-45.3	128.1	164.1	-52.8	0	0	0	0	109.1	L389 E409	S387-L389 PolarHBondContact O-N 2.88Å; S387-L389 VanDerWaalsContact O-N 3.12Å; S387-E409 VanDerWaalsContact OG-CD 3.25Å; S387-E409 PolarHBondContact OG-OE1 2.9Å; S387-E409 PolarHBondContact OG-OE2 2.82Å
388	P	76.4	Confident	68.8	Low	32 Å²	32	61.2 Å²	61.2	21%	0.208	40%	0.404	C	S	.	.			trans	-59.2	120.9	-171.5	19.4	-30.1	0	0	0	110.2	V374 V408	V374-P388 HydrophobicContact CG1-CG 3.93Å; V374-P388 HydrophobicContact CG2-CG 3.83Å; P388-V408 WeakPolarHBondContact CD-O 3.44Å; P388-V408 HydrophobicContact CG-CB 4.27Å; P388-V408 PolarHBondContact O-N 2.85Å
389	L	83.8	Confident	70.3	Confident	89 Å²	89	64.1 Å²	64.1	47%	0.466	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.4	174.9	-173.2	72.4	0	0	0	108.5	S387 K407	S387-L389 PolarHBondContact O-N 2.88Å; S387-L389 VanDerWaalsContact O-N 3.12Å; L389-K407 HydrophobicContact CD1-CG 3.91Å
390	V	86.9	Confident	72.1	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.9	173.2	-61.3	0	0	0	0	109	I315 V335 K372 S405 M406 V408	I315-V390 HydrophobicContact CD1-CG2 4.4Å; V335-V390 HydrophobicContact CG1-CB 4.21Å; V335-V390 HydrophobicContact CG1-CG2 3.93Å; V335-V390 HydrophobicContact CG2-CB 3.78Å; V335-V390 HydrophobicContact CG2-CG1 3.74Å; V335-V390 HydrophobicContact CG2-CG2 3.9Å; K372-V390 HydrophobicContact CB-CG1 4.38Å; K372-V390 HydrophobicContact CG-CG1 4.21Å; V390-S405 CarbonylContact O-C 3.29Å; V390-S405 VanDerWaalsContact O-CA 3.26Å; V390-S405 WeakPolarHBondContact O-CA 3.49Å; V390-M406 HydrophobicContact CG2-CG 3.43Å; V390-M406 VanDerWaalsContact CG2-CG 3.43Å; V390-M406 WeakPolarHBondContact CG2-O 3.5Å; V390-M406 HydrophobicContact CG2-SD 4.37Å; V390-M406 PolarHBondContact N-O 3.05Å; V390-M406 PolarHBondContact O-N 3.17Å; V390-V408 HydrophobicContact CG1-CG2 3.98Å; V390-V408 HydrophobicContact CG2-CG2 3.79Å
391	Y	89.6	Confident	74.3	Confident	77 Å²	77	64.3 Å²	64.3	30%	0.302	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154	179.1	66.7	-97.6	0	0	0	112	Q351 A404	Q351-Y391 VanDerWaalsContact CA-CZ 3.48Å; Q351-Y391 HydrophobicContact CB-CD1 3.88Å; Q351-Y391 HydrophobicContact CB-CE1 3.46Å; Q351-Y391 VanDerWaalsContact CB-CE1 3.46Å; Q351-Y391 PolarHBondContact OE1-O 3.26Å; Y391-A404 CarbonylContact C-O 3.57Å; Y391-A404 WeakPolarHBondContact CA-O 3.34Å; Y391-A404 VanDerWaalsContact CB-O 3.3Å; Y391-A404 WeakPolarHBondContact CB-O 3.47Å
392	C	91.7	Very high	76.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.1	171.1	53.9	0	0	0	0	108.6	C337 S349 W350 F394 G403 A404	C337-C392 HydrophobicContact CB-CB 3.91Å; C337-C392 WeakPolarHBondContact CB-SG 3.46Å; C337-C392 WeakPolarHBondContact SG-CB 3.39Å; C337-C392 CovalentContact SG-SG 2.02Å; C337-C392 PolarHBondContact SG-SG 3.23Å; S349-C392 WeakPolarHBondContact O-CA 3.31Å; W350-C392 HydrophobicContact CD2-CB 4.38Å; W350-C392 HydrophobicContact CE3-CB 3.84Å; W350-C392 HydrophobicContact CH2-CB 4.08Å; W350-C392 HydrophobicContact CZ3-CB 3.68Å; C392-F394 HydrophobicContact CB-CE2 4.08Å; C392-G403 VanDerWaalsContact O-CA 3.29Å; C392-G403 WeakPolarHBondContact O-CA 3.5Å; C392-A404 PolarHBondContact N-O 2.89Å; C392-A404 PolarHBondContact O-N 3.44Å
393	N	92.4	Very high	79.3	Confident	46 Å²	46	57.1 Å²	57.1	25%	0.246	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.3	-177.6	-73.7	-14.9	0	0	0	109.1	V348 S349 T401 Y402 G403	V348-N393 CarbonylContact C-O 3.53Å; V348-N393 WeakPolarHBondContact CA-O 3.49Å; S349-N393 PolarHBondContact N-O 2.78Å; S349-N393 PolarHBondContact O-N 3Å; S349-N393 WeakPolarHBondContact OG-CB 3.5Å; S349-N393 PolarHBondContact OG-O 3.28Å; N393-T401 HydrophobicContact CB-CG2 3.75Å; N393-Y402 CarbonylContact C-O 3.53Å; N393-Y402 WeakPolarHBondContact CA-O 3.12Å; N393-G403 WeakPolarHBondContact OD1-CA 3.47Å
394	F	92.1	Very high	81.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.9	178.4	-72	-110.7	0	0	0	109.1	P311 I313 C337 I339 Y346 S347 V348 Y368 C392 T401 Y402	P311-F394 HydrophobicContact CG-CB 3.79Å; P311-F394 HydrophobicContact CG-CG 4.25Å; I313-F394 HydrophobicContact CD1-CB 4.25Å; I313-F394 HydrophobicContact CD1-CD2 3.42Å; I313-F394 VanDerWaalsContact CD1-CD2 3.42Å; I313-F394 HydrophobicContact CD1-CE2 4.04Å; I313-F394 HydrophobicContact CD1-CG 4.03Å; I313-F394 HydrophobicContact CG1-CD2 3.81Å; I313-F394 HydrophobicContact CG1-CE2 4.04Å; I313-F394 HydrophobicContact CG1-CG 4.34Å; I313-F394 HydrophobicContact CG2-CD2 4.4Å; I313-F394 HydrophobicContact CG2-CE2 3.91Å; C337-F394 HydrophobicContact CB-CE2 3.97Å; C337-F394 HydrophobicContact CB-CZ 4.09Å; I339-F394 HydrophobicContact CD1-CD1 4.28Å; I339-F394 HydrophobicContact CD1-CE1 3.87Å; I339-F394 HydrophobicContact CG1-CE1 4.39Å; I339-F394 HydrophobicContact CG2-CD1 4.44Å; I339-F394 HydrophobicContact CG2-CE1 3.9Å; I339-F394 HydrophobicContact CG2-CZ 3.97Å; Y346-F394 HydrophobicContact CD1-CB 4.31Å; Y346-F394 HydrophobicContact CD2-CD1 4.34Å; Y346-F394 HydrophobicContact CG-CB 4.48Å; Y346-F394 AromaticContact CG-CD1 3.98Å; Y346-F394 HydrophobicContact CG-CD1 3.98Å; S347-F394 CarbonylContact O-C 3.56Å; S347-F394 WeakPolarHBondContact O-CA 3.45Å; V348-F394 HydrophobicContact CG1-CD2 4.45Å; V348-F394 HydrophobicContact CG1-CE2 4.14Å; V348-F394 HydrophobicContact CG1-CZ 4.17Å; V348-F394 HydrophobicContact CG2-CD1 3.56Å; V348-F394 HydrophobicContact CG2-CD2 4.49Å; V348-F394 HydrophobicContact CG2-CE1 3.39Å; V348-F394 HydrophobicContact CG2-CE2 4.38Å; V348-F394 HydrophobicContact CG2-CG 4.11Å; V348-F394 HydrophobicContact CG2-CZ 3.84Å; Y368-F394 AromaticContact CD2-CE1 3.66Å; Y368-F394 HydrophobicContact CD2-CE1 3.66Å; Y368-F394 AromaticContact CD2-CZ 3.69Å; Y368-F394 HydrophobicContact CD2-CZ 3.69Å; Y368-F394 AromaticContact CE2-CE1 3.64Å; Y368-F394 HydrophobicContact CE2-CE1 3.64Å; Y368-F394 HydrophobicContact CE2-CZ 4.16Å; Y368-F394 HydrophobicContact CG-CE1 4.22Å; Y368-F394 HydrophobicContact CG-CZ 4.06Å; C392-F394 HydrophobicContact CB-CE2 4.08Å; F394-T401 CarbonylContact O-C 3.51Å; F394-T401 WeakPolarHBondContact O-CA 3.37Å; F394-Y402 PolarHBondContact N-O 3.19Å; F394-Y402 PolarHBondContact O-N 3.08Å
395	T	91.1	Very high	84	Confident	31 Å²	31	51.8 Å²	51.8	19%	0.19	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.9	174.6	-56.1	0	0	0	0	109.5	Y346 S347 Q400 T401	Y346-T395 WeakPolarHBondContact CA-O 3.26Å; S347-T395 PolarHBondContact N-O 2.79Å; S347-T395 PolarHBondContact O-N 3.46Å; T395-Q400 WeakPolarHBondContact CA-O 3.13Å; T395-T401 PolarHBondContact OG1-OG1 3.22Å
396	N	90.4	Very high	86.1	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.032	29%	0.288	C	S	.	.			trans	-85.4	177	178	75.7	2.2	0	0	0	112.6	C308 E344 Y346 C398 N399 Q400	C308-N396 WeakPolarHBondContact CB-ND2 3.2Å; E344-N396 HydrophobicContact CG-CB 4.43Å; E344-N396 WeakPolarHBondContact OE1-CB 3.47Å; Y346-N396 HydrophobicContact CD1-CB 4.07Å; Y346-N396 HydrophobicContact CE1-CB 3.8Å; N396-C398 PolarHBondContact O-N 2.98Å; N396-C398 WeakPolarHBondContact OD1-CA 3.31Å; N396-C398 PolarHBondContact OD1-N 3.45Å; N396-C398 VanDerWaalsContact OD1-N 3.13Å; N396-N399 PolarHBondContact O-N 3.24Å; N396-N399 PolarHBondContact OD1-N 3.45Å; N396-Q400 PolarHBondContact N-O 2.83Å; N396-Q400 PolarHBondContact ND2-OE1 2.94Å; N396-Q400 WeakPolarHBondContact OD1-CB 3.41Å; N396-Q400 PolarHBondContact OD1-N 2.88Å
397	E	87.8	Confident	87.7	Confident	113 Å²	113	52.2 Å²	52.2	53%	0.528	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24	-177.7	-66.9	178.4	-169.4	0	0	113.1	E344 T345 N399	E344-E397 VanDerWaalsContact OE1-CB 3.28Å; E344-E397 WeakPolarHBondContact OE1-CB 3.37Å; E344-E397 VanDerWaalsContact OE1-CG 3.28Å; E344-E397 WeakPolarHBondContact OE1-CG 3.29Å; E344-E397 PolarHBondContact OE1-N 3.31Å; T345-E397 PolarHBondContact OG1-OE1 3.34Å; T345-E397 VanDerWaalsContact OG1-OE1 3.08Å; E397-N399 PolarHBondContact O-N 3.41Å
398	C	88.3	Confident	88.6	Confident	32 Å²	32	50.5 Å²	50.5	22%	0.216	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	9.7	172.2	-75.8	0	0	0	0	113.9	P222 C308 N396 Q400	P222-C398 HydrophobicContact CB-CB 4.19Å; P222-C398 HydrophobicContact CG-CB 4.17Å; C308-C398 HydrophobicContact CB-CB 3.47Å; C308-C398 VanDerWaalsContact CB-CB 3.47Å; C308-C398 WeakPolarHBondContact CB-SG 3.14Å; C308-C398 WeakPolarHBondContact SG-CB 2.99Å; C308-C398 PolarHBondContact SG-N 2.88Å; C308-C398 CovalentContact SG-SG 2.02Å; C308-C398 PolarHBondContact SG-SG 3.14Å; N396-C398 PolarHBondContact O-N 2.98Å; N396-C398 WeakPolarHBondContact OD1-CA 3.31Å; N396-C398 PolarHBondContact OD1-N 3.45Å; N396-C398 VanDerWaalsContact OD1-N 3.13Å; C398-Q400 VanDerWaalsContact C-N 3.27Å; C398-Q400 HydrophobicContact CB-CG 4.45Å; C398-Q400 PolarHBondContact O-N 3.23Å
399	N	88.8	Confident	89	Confident	137 Å²	137	50.6 Å²	50.6	73%	0.733	27%	0.274	S	S	*	.			trans	59.4	28.9	-176	-62.9	-53.7	0	0	0	114.7	N396 E397	N396-N399 PolarHBondContact O-N 3.24Å; N396-N399 PolarHBondContact OD1-N 3.45Å; E397-N399 PolarHBondContact O-N 3.41Å
400	Q	88.8	Confident	89.1	Confident	47 Å²	47	46.4 Å²	46.4	22%	0.22	25%	0.253	C	S	.	.			trans	-88.9	124	169.6	-59.4	175.5	-73.2	0	0	109.5	P222 Y223 T395 N396 C398 Y402	P222-Q400 HydrophobicContact CB-CG 4.32Å; Y223-Q400 PolarHBondContact O-NE2 2.9Å; T395-Q400 WeakPolarHBondContact CA-O 3.13Å; N396-Q400 PolarHBondContact N-O 2.83Å; N396-Q400 PolarHBondContact ND2-OE1 2.94Å; N396-Q400 WeakPolarHBondContact OD1-CB 3.41Å; N396-Q400 PolarHBondContact OD1-N 2.88Å; C398-Q400 VanDerWaalsContact C-N 3.27Å; C398-Q400 HydrophobicContact CB-CG 4.45Å; C398-Q400 PolarHBondContact O-N 3.23Å; Q400-Y402 HydrophobicContact CB-CE2 3.68Å; Q400-Y402 VanDerWaalsContact CD-OH 3.24Å; Q400-Y402 PolarHBondContact NE2-OH 2.57Å; Q400-Y402 PolarHBondContact OE1-OH 3.39Å
401	T	91.1	Very high	88.9	Confident	80 Å²	80	46.4 Å²	46.4	49%	0.491	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.5	177.4	-52.3	0	0	0	0	111	N393 F394 T395	N393-T401 HydrophobicContact CB-CG2 3.75Å; F394-T401 CarbonylContact O-C 3.51Å; F394-T401 WeakPolarHBondContact O-CA 3.37Å; T395-T401 PolarHBondContact OG1-OG1 3.22Å
402	Y	91.2	Very high	88.7	Confident	45 Å²	45	45.2 Å²	45.2	18%	0.176	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124	175.2	-58.3	-76.5	0	0	0	109.6	K310 P311 I313 N393 F394 Q400	K310-Y402 HydrophobicContact CB-CE2 4.29Å; K310-Y402 HydrophobicContact CD-CD1 4.37Å; K310-Y402 HydrophobicContact CD-CE1 4.05Å; K310-Y402 HydrophobicContact CG-CD1 4.12Å; K310-Y402 HydrophobicContact CG-CD2 4.34Å; K310-Y402 HydrophobicContact CG-CE1 3.98Å; K310-Y402 HydrophobicContact CG-CE2 4.18Å; K310-Y402 HydrophobicContact CG-CG 4.29Å; P311-Y402 HydrophobicContact CG-CD2 4.25Å; I313-Y402 WeakPolarHBondContact CD1-O 3.16Å; N393-Y402 CarbonylContact C-O 3.53Å; N393-Y402 WeakPolarHBondContact CA-O 3.12Å; F394-Y402 PolarHBondContact N-O 3.19Å; F394-Y402 PolarHBondContact O-N 3.08Å; Q400-Y402 HydrophobicContact CB-CE2 3.68Å; Q400-Y402 VanDerWaalsContact CD-OH 3.24Å; Q400-Y402 PolarHBondContact NE2-OH 2.57Å; Q400-Y402 PolarHBondContact OE1-OH 3.39Å
403	G	90.2	Very high	88	Confident	50 Å²	50	46.5 Å²	46.5	52%	0.515	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.3	-177.7	0	0	0	0	0	112.8	C392 N393	C392-G403 VanDerWaalsContact O-CA 3.29Å; C392-G403 WeakPolarHBondContact O-CA 3.5Å; N393-G403 WeakPolarHBondContact OD1-CA 3.47Å
404	A	90.9	Very high	87.4	Confident	15 Å²	15	51.4 Å²	51.4	12%	0.124	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.7	160.1	0	0	0	0	0	108.9	I313 I315 Y391 C392	I313-A404 HydrophobicContact CB-CB 3.96Å; I313-A404 HydrophobicContact CG2-CB 3.59Å; I315-A404 HydrophobicContact CB-CB 3.92Å; I315-A404 HydrophobicContact CD1-CB 4.47Å; I315-A404 HydrophobicContact CG2-CB 3.89Å; Y391-A404 CarbonylContact C-O 3.57Å; Y391-A404 WeakPolarHBondContact CA-O 3.34Å; Y391-A404 VanDerWaalsContact CB-O 3.3Å; Y391-A404 WeakPolarHBondContact CB-O 3.47Å; C392-A404 PolarHBondContact N-O 2.89Å; C392-A404 PolarHBondContact O-N 3.44Å
405	S	90.4	Very high	87	Confident	78 Å²	78	54.1 Å²	54.1	55%	0.545	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.1	179.4	71.9	0	0	0	0	111.2	V390	V390-S405 CarbonylContact O-C 3.29Å; V390-S405 VanDerWaalsContact O-CA 3.26Å; V390-S405 WeakPolarHBondContact O-CA 3.49Å
406	M	86.9	Confident	86.9	Confident	48 Å²	48	56.1 Å²	56.1	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	152.2	173.8	68.4	178.1	-60.9	0	0	110.5	I315 A317 V390	I315-M406 HydrophobicContact CD1-CG 3.99Å; I315-M406 HydrophobicContact CG1-CG 4.06Å; I315-M406 HydrophobicContact CG1-SD 3.95Å; I315-M406 HydrophobicContact CG2-CB 4.24Å; I315-M406 HydrophobicContact CG2-CG 4.37Å; I315-M406 HydrophobicContact CG2-SD 4.39Å; A317-M406 HydrophobicContact CB-CE 4.02Å; A317-M406 HydrophobicContact CB-SD 4.01Å; V390-M406 HydrophobicContact CG2-CG 3.43Å; V390-M406 VanDerWaalsContact CG2-CG 3.43Å; V390-M406 WeakPolarHBondContact CG2-O 3.5Å; V390-M406 HydrophobicContact CG2-SD 4.37Å; V390-M406 PolarHBondContact N-O 3.05Å; V390-M406 PolarHBondContact O-N 3.17Å
407	K	86.5	Confident	86.9	Confident	134 Å²	134	57.7 Å²	57.7	58%	0.583	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.3	169.7	-69.2	-178	-179.3	179.3	0	108.7	L389 E409	L389-K407 HydrophobicContact CD1-CG 3.91Å; K407-E409 PolarHBondContact O-N 2.94Å
408	V	85.4	Confident	87	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.282	C	S	.	.			trans	-87.7	106.8	174	-178	0	0	0	0	108.2	A317 P322 V333 P388 V390 V410	A317-V408 HydrophobicContact CB-CG2 4.06Å; P322-V408 HydrophobicContact CG-CG1 3.66Å; V333-V408 HydrophobicContact CG1-CG1 4.15Å; V333-V408 HydrophobicContact CG1-CG2 4.32Å; V333-V408 HydrophobicContact CG2-CG1 4.19Å; P388-V408 WeakPolarHBondContact CD-O 3.44Å; P388-V408 HydrophobicContact CG-CB 4.27Å; P388-V408 PolarHBondContact O-N 2.85Å; V390-V408 HydrophobicContact CG1-CG2 3.98Å; V390-V408 HydrophobicContact CG2-CG2 3.79Å; V408-V410 PolarHBondContact O-N 2.93Å
409	E	85.8	Confident	87	Confident	33 Å²	33	52.6 Å²	52.6	15%	0.154	28%	0.284	C	S	.	.			trans	-82.2	111.8	-177	-63.9	-62.2	157.2	0	0	110.7	F321 P322 S387 K407 F431	F321-E409 WeakPolarHBondContact CA-O 3.34Å; F321-E409 HydrophobicContact CD1-CB 3.82Å; F321-E409 WeakPolarHBondContact CD1-O 3.37Å; F321-E409 HydrophobicContact CE1-CB 3.8Å; F321-E409 HydrophobicContact CE1-CG 4.48Å; P322-E409 WeakPolarHBondContact CD-O 3.21Å; S387-E409 VanDerWaalsContact OG-CD 3.25Å; S387-E409 PolarHBondContact OG-OE1 2.9Å; S387-E409 PolarHBondContact OG-OE2 2.82Å; K407-E409 PolarHBondContact O-N 2.94Å; E409-F431 HydrophobicContact CB-CE1 4.44Å; E409-F431 HydrophobicContact CB-CZ 4.37Å; E409-F431 HydrophobicContact CG-CD1 4.22Å; E409-F431 HydrophobicContact CG-CE1 3.57Å; E409-F431 HydrophobicContact CG-CZ 3.76Å
410	V	83.9	Confident	87	Confident	2 Å²	2	49 Å²	49	1%	0.012	27%	0.274	C	S	.	.			trans	-85.4	137.2	-178.3	-174.1	0	0	0	0	109.9	C324 V374 V408 Y412 E415 K428	C324-V410 WeakPolarHBondContact SG-CG1 3.34Å; V374-V410 HydrophobicContact CG1-CG2 3.45Å; V374-V410 VanDerWaalsContact CG1-CG2 3.45Å; V408-V410 PolarHBondContact O-N 2.93Å; V410-Y412 HydrophobicContact CB-CE2 4.1Å; V410-Y412 HydrophobicContact CG1-CD1 4.33Å; V410-Y412 HydrophobicContact CG1-CE1 4.08Å; V410-Y412 HydrophobicContact CG1-CE2 4.4Å; V410-E415 VanDerWaalsContact O-OE2 3.12Å; V410-K428 PolarHBondContact O-NZ 3.28Å
411	I	84.6	Confident	87	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-94.1	105.6	171.5	-57.1	160.6	0	0	0	108.1	F321 P322 L323 C324 E415 Y417 N426 K428	F321-I411 HydrophobicContact CB-CD1 3.71Å; F321-I411 HydrophobicContact CB-CG1 4.17Å; P322-I411 PolarHBondContact O-N 2.96Å; L323-I411 HydrophobicContact CD1-CB 3.87Å; L323-I411 HydrophobicContact CD1-CD1 4.28Å; L323-I411 HydrophobicContact CD1-CG2 3.53Å; C324-I411 WeakPolarHBondContact CB-O 3.45Å; C324-I411 PolarHBondContact N-O 3.43Å; I411-E415 WeakPolarHBondContact CA-OE2 3.34Å; I411-E415 HydrophobicContact CG2-CB 4.35Å; I411-Y417 HydrophobicContact CD1-CD2 4.34Å; I411-Y417 HydrophobicContact CD1-CG 4.13Å; I411-Y417 HydrophobicContact CG2-CD1 3.88Å; I411-Y417 HydrophobicContact CG2-CG 4.04Å; I411-N426 HydrophobicContact CD1-CB 4.36Å; I411-K428 HydrophobicContact CD1-CB 4.48Å; I411-K428 HydrophobicContact CG1-CB 3.8Å; I411-K428 HydrophobicContact CG1-CG 4.26Å
412	Y	83.8	Confident	86.8	Confident	53 Å²	53	51.8 Å²	51.8	21%	0.208	30%	0.304	C	S	.	.			trans	-79.7	163.5	-178.7	-68.6	-75.8	0	0	0	113.3	V410 D414 E415 R455	V410-Y412 HydrophobicContact CB-CE2 4.1Å; V410-Y412 HydrophobicContact CG1-CD1 4.33Å; V410-Y412 HydrophobicContact CG1-CE1 4.08Å; V410-Y412 HydrophobicContact CG1-CE2 4.4Å; Y412-D414 PolarHBondContact O-N 3.03Å; Y412-E415 WeakPolarHBondContact CD2-OE2 3.49Å; Y412-E415 PolarHBondContact N-OE2 2.89Å; Y412-E415 PolarHBondContact O-N 3.47Å; Y412-R455 PolarHBondContact O-NH2 2.74Å
413	P	78.4	Confident	86.5	Confident	26 Å²	26	55.4 Å²	55.4	17%	0.169	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-22.1	-177.6	-33.2	39.7	0	0	0	118	E327 R455	E327-P413 HydrophobicContact CG-CG 4.21Å; P413-R455 PolarHBondContact O-NE 2.9Å; P413-R455 PolarHBondContact O-NH1 3.41Å; P413-R455 PolarHBondContact O-NH2 2.82Å
414	D	78.8	Confident	86.4	Confident	149 Å²	149	53.7 Å²	53.7	80%	0.797	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	0.9	179.5	-61.9	-43.8	0	0	0	113.7	Y412	Y412-D414 PolarHBondContact O-N 3.03Å
415	E	83.8	Confident	86.2	Confident	57 Å²	57	55.7 Å²	55.7	27%	0.266	32%	0.317	S	S	.	.			trans	-87.7	145.6	-176.7	-66.4	-177.4	144.5	0	0	112.1	V410 I411 Y412 K428 R455	V410-E415 VanDerWaalsContact O-OE2 3.12Å; I411-E415 WeakPolarHBondContact CA-OE2 3.34Å; I411-E415 HydrophobicContact CG2-CB 4.35Å; Y412-E415 WeakPolarHBondContact CD2-OE2 3.49Å; Y412-E415 PolarHBondContact N-OE2 2.89Å; Y412-E415 PolarHBondContact O-N 3.47Å; E415-K428 VanDerWaalsContact OE1-CE 3.26Å; E415-K428 WeakPolarHBondContact OE1-CE 3.44Å; E415-K428 IonicContact OE1-NZ 2.82Å; E415-K428 PolarHBondContact OE1-NZ 2.81Å; E415-K428 WeakPolarHBondContact OE2-CE 3.36Å; E415-K428 IonicContact OE2-NZ 2.94Å; E415-K428 PolarHBondContact OE2-NZ 3.14Å; E415-R455 VanDerWaalsContact O-CG 3.24Å; E415-R455 WeakPolarHBondContact O-CG 3.4Å; E415-R455 PolarHBondContact O-NE 3.46Å; E415-R455 VanDerWaalsContact O-NE 3.15Å
416	K	88.4	Confident	86.2	Confident	73 Å²	73	54.3 Å²	54.3	32%	0.317	30%	0.304	S	S	.	.			trans	-80.7	144.5	176	-61.8	-174.9	178.2	-174.6	0	110.8	A429 G451 G454 R455	K416-A429 HydrophobicContact CB-CB 3.83Å; K416-A429 VanDerWaalsContact O-CB 3.22Å; K416-A429 WeakPolarHBondContact O-CB 3.18Å; K416-A429 PolarHBondContact O-N 2.71Å; K416-G451 PolarHBondContact NZ-O 3.3Å; K416-G454 VanDerWaalsContact CE-O 3.28Å; K416-G454 WeakPolarHBondContact CE-O 3.38Å; K416-R455 WeakPolarHBondContact CA-O 3.36Å
417	Y	90.4	Very high	86.3	Confident	39 Å²	39	52.1 Å²	52.1	15%	0.153	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155.8	178.7	72	-78.5	0	0	0	110.8	L323 I411 N426 T427 R455 G457	L323-Y417 HydrophobicContact CD1-CD1 4.05Å; L323-Y417 HydrophobicContact CD1-CD2 4.47Å; L323-Y417 HydrophobicContact CD1-CE1 3.83Å; L323-Y417 HydrophobicContact CD1-CE2 4.26Å; L323-Y417 HydrophobicContact CD1-CG 4.37Å; L323-Y417 HydrophobicContact CD2-CE2 4.18Å; I411-Y417 HydrophobicContact CD1-CD2 4.34Å; I411-Y417 HydrophobicContact CD1-CG 4.13Å; I411-Y417 HydrophobicContact CG2-CD1 3.88Å; I411-Y417 HydrophobicContact CG2-CG 4.04Å; Y417-N426 HydrophobicContact CD2-CB 4.22Å; Y417-N426 HydrophobicContact CE2-CB 4.48Å; Y417-T427 CarbonylContact C-O 3.53Å; Y417-T427 VanDerWaalsContact CA-O 3.3Å; Y417-T427 WeakPolarHBondContact CA-O 3.32Å; Y417-T427 VanDerWaalsContact CB-O 3.31Å; Y417-T427 WeakPolarHBondContact CB-O 3.27Å; Y417-R455 HydrophobicContact CE1-CG 4.44Å; Y417-R455 PolarHBondContact N-O 2.97Å; Y417-R455 VanDerWaalsContact N-O 3.11Å; Y417-G457 PolarHBondContact O-N 2.95Å
418	C	90.6	Very high	86.4	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.5	171.7	-58.1	0	0	0	0	108.7	N426 T427 C448 G457 W459	C418-N426 WeakPolarHBondContact O-CA 3.39Å; C418-T427 PolarHBondContact N-O 3.46Å; C418-T427 PolarHBondContact O-N 2.98Å; C418-T427 VanDerWaalsContact O-N 3.14Å; C418-C448 HydrophobicContact CB-CB 3.92Å; C418-C448 WeakPolarHBondContact CB-SG 3.41Å; C418-C448 PolarHBondContact N-SG 3.14Å; C418-C448 WeakPolarHBondContact SG-CA 3.45Å; C418-C448 WeakPolarHBondContact SG-CB 3.38Å; C418-C448 CovalentContact SG-SG 2.03Å; C418-C448 PolarHBondContact SG-SG 2.92Å; C418-G457 VanDerWaalsContact SG-C 3.57Å; C418-W459 HydrophobicContact CB-CD2 3.55Å; C418-W459 HydrophobicContact CB-CE3 4.08Å; C418-W459 HydrophobicContact CB-CG 4Å; C418-W459 HydrophobicContact CB-CH2 4.14Å; C418-W459 HydrophobicContact CB-CZ2 3.57Å; C418-W459 HydrophobicContact CB-CZ3 4.35Å
419	S	89.1	Confident	86.6	Confident	38 Å²	38	47.8 Å²	47.8	27%	0.266	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-64	150.4	176.9	-64.8	0	0	0	0	111.5	E421 E456 W459	S419-E421 PolarHBondContact O-N 2.96Å; S419-E456 WeakPolarHBondContact CB-OE1 3.46Å; S419-E456 PolarHBondContact N-OE1 2.76Å; S419-E456 VanDerWaalsContact N-OE1 3.09Å; S419-E456 VanDerWaalsContact OG-CD 3.32Å; S419-E456 PolarHBondContact OG-OE1 3.42Å; S419-E456 PolarHBondContact OG-OE2 3.43Å; S419-E456 VanDerWaalsContact OG-OE2 3.06Å; S419-W459 PolarHBondContact O-NE1 3.21Å
420	A	88.8	Confident	86.6	Confident	63 Å²	63	48.8 Å²	48.8	52%	0.521	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-55.9	129.9	178.4	0	0	0	0	0	111.6	W424 N426	A420-W424 CarbonylContact C-O 3.53Å; A420-W424 WeakPolarHBondContact CA-O 3.18Å; A420-W424 VanDerWaalsContact CB-O 3.3Å; A420-W424 WeakPolarHBondContact CB-O 3.49Å; A420-N426 PolarHBondContact N-OD1 2.94Å
421	E	87.9	Confident	86.9	Confident	98 Å²	98	52.1 Å²	52.1	46%	0.458	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-133.6	110.1	-178.4	-169.9	-172.9	170.3	0	0	109.5	S419 E423 W424 R446 W459	S419-E421 PolarHBondContact O-N 2.96Å; E421-E423 PolarHBondContact O-N 2.85Å; E421-W424 PolarHBondContact N-O 3.47Å; E421-W424 WeakPolarHBondContact O-CB 3.41Å; E421-W424 VanDerWaalsContact O-CD1 3.31Å; E421-W424 PolarHBondContact O-N 3.27Å; E421-R446 IonicContact OE1-NH2 3.07Å; E421-R446 IonicContact OE2-CZ 2.87Å; E421-R446 VanDerWaalsContact OE2-CZ 3.27Å; E421-R446 IonicContact OE2-NH1 3.9Å; E421-R446 PolarHBondContact OE2-NH1 2.81Å; E421-R446 IonicContact OE2-NH2 3.23Å; E421-R446 PolarHBondContact OE2-NH2 3.07Å; E421-W459 VanDerWaalsContact OE2-CD1 3.25Å
422	G	86.5	Confident	87.1	Confident	86 Å²	86	55.6 Å²	55.6	89%	0.887	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-117.2	-177.6	0	0	0	0	0	112.6
423	E	85.8	Confident	87.3	Confident	121 Å²	121	53.4 Å²	53.4	57%	0.565	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-10.5	176.3	-63.8	-176.5	159.1	0	0	113.1	E421 I435 R444	E421-E423 PolarHBondContact O-N 2.85Å; E423-I435 HydrophobicContact CB-CD1 4.33Å; E423-R444 IonicContact OE2-CZ 4Å; E423-R444 IonicContact OE2-NH1 3.47Å; E423-R444 PolarHBondContact OE2-NH1 3.25Å; E423-R444 IonicContact OE2-NH2 2.93Å; E423-R444 PolarHBondContact OE2-NH2 3Å
424	W	87.9	Confident	87.8	Confident	15 Å²	15	57.5 Å²	57.5	6%	0.057	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-82.7	118.5	-179.6	-59.1	102.9	0	0	0	110.3	A420 E421 A433 I435 R444 R446 W459 E462	A420-W424 CarbonylContact C-O 3.53Å; A420-W424 WeakPolarHBondContact CA-O 3.18Å; A420-W424 VanDerWaalsContact CB-O 3.3Å; A420-W424 WeakPolarHBondContact CB-O 3.49Å; E421-W424 PolarHBondContact N-O 3.47Å; E421-W424 WeakPolarHBondContact O-CB 3.41Å; E421-W424 VanDerWaalsContact O-CD1 3.31Å; E421-W424 PolarHBondContact O-N 3.27Å; W424-A433 HydrophobicContact CE3-CB 3.57Å; W424-A433 HydrophobicContact CZ3-CB 3.76Å; W424-A433 WeakPolarHBondContact CZ3-O 3.13Å; W424-I435 HydrophobicContact CD2-CD1 4.04Å; W424-I435 HydrophobicContact CE3-CD1 4.02Å; W424-I435 HydrophobicContact CE3-CG1 4.34Å; W424-I435 HydrophobicContact CE3-CG2 3.96Å; W424-I435 HydrophobicContact CH2-CD1 3.64Å; W424-I435 HydrophobicContact CH2-CG1 3.61Å; W424-I435 HydrophobicContact CZ2-CD1 3.62Å; W424-I435 HydrophobicContact CZ2-CG1 4.09Å; W424-I435 HydrophobicContact CZ3-CB 4.3Å; W424-I435 HydrophobicContact CZ3-CD1 3.83Å; W424-I435 HydrophobicContact CZ3-CG1 3.73Å; W424-I435 HydrophobicContact CZ3-CG2 3.86Å; W424-R444 HydrophobicContact CH2-CB 3.93Å; W424-R444 WeakPolarHBondContact CH2-O 3.3Å; W424-R444 HydrophobicContact CZ2-CB 4.18Å; W424-R446 HydrophobicContact CD2-CB 4.19Å; W424-R446 HydrophobicContact CE3-CB 4.15Å; W424-R446 HydrophobicContact CH2-CB 3.75Å; W424-R446 HydrophobicContact CZ2-CB 3.82Å; W424-R446 HydrophobicContact CZ3-CB 3.94Å; W424-W459 HydrophobicContact CB-CH2 4.23Å; W424-W459 HydrophobicContact CB-CZ2 4.05Å; W424-E462 HydrophobicContact CZ2-CG 4Å
425	A	87.6	Confident	88.2	Confident	57 Å²	57	52.1 Å²	52.1	47%	0.471	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-73.9	166.5	173.1	0	0	0	0	0	111.7	T427	A425-T427 PolarHBondContact O-N 3.33Å; A425-T427 PolarHBondContact O-OG1 3.35Å; A425-T427 VanDerWaalsContact O-OG1 3.08Å
426	N	89	Confident	88.3	Confident	48 Å²	48	54.2 Å²	54.2	26%	0.257	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-49.8	133.7	173.2	-67.1	-26.3	0	0	0	110	F321 I411 Y417 C418 A420	F321-N426 WeakPolarHBondContact CB-O 3.42Å; F321-N426 WeakPolarHBondContact CD2-O 3.45Å; I411-N426 HydrophobicContact CD1-CB 4.36Å; Y417-N426 HydrophobicContact CD2-CB 4.22Å; Y417-N426 HydrophobicContact CE2-CB 4.48Å; C418-N426 WeakPolarHBondContact O-CA 3.39Å; A420-N426 PolarHBondContact N-OD1 2.94Å
427	T	89.8	Confident	88.2	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131.7	-176.4	-64.6	0	0	0	0	110.5	F321 Y417 C418 A425 F431 A433 C448 W459	F321-T427 HydrophobicContact CD2-CG2 4.22Å; F321-T427 HydrophobicContact CE1-CG2 4.37Å; F321-T427 HydrophobicContact CE2-CG2 3.74Å; F321-T427 HydrophobicContact CZ-CG2 3.83Å; Y417-T427 CarbonylContact C-O 3.53Å; Y417-T427 VanDerWaalsContact CA-O 3.3Å; Y417-T427 WeakPolarHBondContact CA-O 3.32Å; Y417-T427 VanDerWaalsContact CB-O 3.31Å; Y417-T427 WeakPolarHBondContact CB-O 3.27Å; C418-T427 PolarHBondContact N-O 3.46Å; C418-T427 PolarHBondContact O-N 2.98Å; C418-T427 VanDerWaalsContact O-N 3.14Å; A425-T427 PolarHBondContact O-N 3.33Å; A425-T427 PolarHBondContact O-OG1 3.35Å; A425-T427 VanDerWaalsContact O-OG1 3.08Å; T427-F431 HydrophobicContact CG2-CB 4.27Å; T427-A433 HydrophobicContact CG2-CB 4.13Å; T427-A433 WeakPolarHBondContact OG1-CB 3.44Å; T427-C448 HydrophobicContact CG2-CB 3.89Å; T427-C448 PolarHBondContact O-SG 3.36Å; T427-C448 VanDerWaalsContact O-SG 3.37Å; T427-W459 VanDerWaalsContact CB-CH2 3.47Å; T427-W459 HydrophobicContact CG2-CH2 4.24Å; T427-W459 HydrophobicContact CG2-CZ3 4.4Å; T427-W459 WeakPolarHBondContact OG1-CH2 3.42Å
428	K	89.1	Confident	87.9	Confident	26 Å²	26	56.8 Å²	56.8	11%	0.113	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	138.5	-179.3	-172.6	168.8	179.1	162.5	0	111.2	F321 V410 I411 E415 G430 F431	F321-K428 HydrophobicContact CD1-CB 3.77Å; F321-K428 HydrophobicContact CE1-CB 4.05Å; V410-K428 PolarHBondContact O-NZ 3.28Å; I411-K428 HydrophobicContact CD1-CB 4.48Å; I411-K428 HydrophobicContact CG1-CB 3.8Å; I411-K428 HydrophobicContact CG1-CG 4.26Å; E415-K428 VanDerWaalsContact OE1-CE 3.26Å; E415-K428 WeakPolarHBondContact OE1-CE 3.44Å; E415-K428 IonicContact OE1-NZ 2.82Å; E415-K428 PolarHBondContact OE1-NZ 2.81Å; E415-K428 WeakPolarHBondContact OE2-CE 3.36Å; E415-K428 IonicContact OE2-NZ 2.94Å; E415-K428 PolarHBondContact OE2-NZ 3.14Å; K428-G430 PolarHBondContact O-N 2.66Å; K428-F431 HydrophobicContact CB-CD2 3.73Å; K428-F431 HydrophobicContact CB-CE2 4.27Å; K428-F431 HydrophobicContact CB-CG 4.49Å; K428-F431 HydrophobicContact CD-CD2 4.08Å; K428-F431 HydrophobicContact CD-CE2 3.74Å; K428-F431 HydrophobicContact CG-CD2 3.86Å; K428-F431 HydrophobicContact CG-CE2 4Å; K428-F431 WeakPolarHBondContact O-CB 3.27Å; K428-F431 PolarHBondContact O-N 2.75Å; K428-F431 VanDerWaalsContact O-N 3.12Å
429	A	88.1	Confident	87.6	Confident	16 Å²	16	62.4 Å²	62.4	13%	0.132	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	136.2	177.2	0	0	0	0	0	111	K416	K416-A429 HydrophobicContact CB-CB 3.83Å; K416-A429 VanDerWaalsContact O-CB 3.22Å; K416-A429 WeakPolarHBondContact O-CB 3.18Å; K416-A429 PolarHBondContact O-N 2.71Å
430	G	87.6	Confident	87.4	Confident	55 Å²	55	64.4 Å²	64.4	57%	0.567	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-10.8	-172.4	0	0	0	0	0	114.3	K428 C448	K428-G430 PolarHBondContact O-N 2.66Å; G430-C448 PolarHBondContact N-O 3.49Å
431	F	88.7	Confident	87.3	Confident	72 Å²	72	63 Å²	63	32%	0.316	36%	0.357	S	S	.	.			trans	-104.6	161.2	178	-67.8	-96.1	0	0	0	112.3	F321 E409 T427 K428 C448	F321-F431 HydrophobicContact CE1-CB 3.88Å; F321-F431 HydrophobicContact CE1-CD1 4.29Å; F321-F431 HydrophobicContact CE1-CD2 4.49Å; F321-F431 AromaticContact CE1-CG 3.97Å; F321-F431 HydrophobicContact CE1-CG 3.97Å; F321-F431 HydrophobicContact CZ-CB 3.94Å; F321-F431 HydrophobicContact CZ-CG 4.43Å; E409-F431 HydrophobicContact CB-CE1 4.44Å; E409-F431 HydrophobicContact CB-CZ 4.37Å; E409-F431 HydrophobicContact CG-CD1 4.22Å; E409-F431 HydrophobicContact CG-CE1 3.57Å; E409-F431 HydrophobicContact CG-CZ 3.76Å; T427-F431 HydrophobicContact CG2-CB 4.27Å; K428-F431 HydrophobicContact CB-CD2 3.73Å; K428-F431 HydrophobicContact CB-CE2 4.27Å; K428-F431 HydrophobicContact CB-CG 4.49Å; K428-F431 HydrophobicContact CD-CD2 4.08Å; K428-F431 HydrophobicContact CD-CE2 3.74Å; K428-F431 HydrophobicContact CG-CD2 3.86Å; K428-F431 HydrophobicContact CG-CE2 4Å; K428-F431 WeakPolarHBondContact O-CB 3.27Å; K428-F431 PolarHBondContact O-N 2.75Å; K428-F431 VanDerWaalsContact O-N 3.12Å; F431-C448 PolarHBondContact O-N 3.39Å
432	T	89	Confident	87.3	Confident	73 Å²	73	60.3 Å²	60.3	45%	0.448	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.4	176	-57.9	0	0	0	0	108.7	K445 R446	T432-K445 HydrophobicContact CG2-CB 3.88Å; T432-K445 HydrophobicContact CG2-CG 4.44Å; T432-R446 CarbonylContact C-O 3.58Å; T432-R446 WeakPolarHBondContact CA-O 3.31Å
433	A	88.3	Confident	87.4	Confident	7 Å²	7	57.5 Å²	57.5	6%	0.058	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.8	170.7	0	0	0	0	0	109.4	W424 T427 K445 R446 W459	W424-A433 HydrophobicContact CE3-CB 3.57Å; W424-A433 HydrophobicContact CZ3-CB 3.76Å; W424-A433 WeakPolarHBondContact CZ3-O 3.13Å; T427-A433 HydrophobicContact CG2-CB 4.13Å; T427-A433 WeakPolarHBondContact OG1-CB 3.44Å; A433-K445 CarbonylContact O-C 3.57Å; A433-K445 VanDerWaalsContact O-CA 3.28Å; A433-K445 WeakPolarHBondContact O-CA 3.42Å; A433-R446 PolarHBondContact N-O 3.33Å; A433-R446 PolarHBondContact O-N 2.92Å; A433-W459 HydrophobicContact CB-CH2 3.91Å; A433-W459 HydrophobicContact CB-CZ3 3.94Å
434	E	88.6	Confident	87.6	Confident	111 Å²	111	53.7 Å²	53.7	52%	0.519	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.4	178.3	-175	166.1	-169.9	0	0	109.9	T443 R444 K445	E434-T443 HydrophobicContact CG-CG2 4.04Å; E434-T443 WeakPolarHBondContact OE1-CB 3.5Å; E434-T443 VanDerWaalsContact OE1-CG2 3.27Å; E434-T443 WeakPolarHBondContact OE1-CG2 3.36Å; E434-T443 PolarHBondContact OE1-OG1 3.21Å; E434-R444 WeakPolarHBondContact CA-O 3.4Å; E434-K445 HydrophobicContact CB-CG 4.27Å; E434-K445 VanDerWaalsContact CD-CE 3.43Å; E434-K445 HydrophobicContact CG-CG 3.99Å; E434-K445 WeakPolarHBondContact OE1-CE 3.4Å; E434-K445 IonicContact OE1-NZ 2.8Å
435	I	87.5	Confident	87.7	Confident	36 Å²	36	55.7 Å²	55.7	19%	0.185	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.1	177.4	63.8	-176.2	0	0	0	109.9	E423 W424 T443 R444	E423-I435 HydrophobicContact CB-CD1 4.33Å; W424-I435 HydrophobicContact CD2-CD1 4.04Å; W424-I435 HydrophobicContact CE3-CD1 4.02Å; W424-I435 HydrophobicContact CE3-CG1 4.34Å; W424-I435 HydrophobicContact CE3-CG2 3.96Å; W424-I435 HydrophobicContact CH2-CD1 3.64Å; W424-I435 HydrophobicContact CH2-CG1 3.61Å; W424-I435 HydrophobicContact CZ2-CD1 3.62Å; W424-I435 HydrophobicContact CZ2-CG1 4.09Å; W424-I435 HydrophobicContact CZ3-CB 4.3Å; W424-I435 HydrophobicContact CZ3-CD1 3.83Å; W424-I435 HydrophobicContact CZ3-CG1 3.73Å; W424-I435 HydrophobicContact CZ3-CG2 3.86Å; I435-T443 CarbonylContact O-C 3.58Å; I435-T443 VanDerWaalsContact O-CA 3.31Å; I435-T443 WeakPolarHBondContact O-CA 3.49Å; I435-T443 WeakPolarHBondContact O-CB 3.33Å; I435-R444 HydrophobicContact CD1-CB 4.41Å; I435-R444 VanDerWaalsContact CD1-CZ 3.44Å; I435-R444 VanDerWaalsContact CD1-NH2 3.29Å; I435-R444 HydrophobicContact CG1-CB 3.84Å; I435-R444 PolarHBondContact N-O 3.07Å; I435-R444 PolarHBondContact O-N 3.35Å
436	K	85.4	Confident	87.8	Confident	101 Å²	101	54.7 Å²	54.7	44%	0.439	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	148.7	176.4	-66.7	-179.9	-175.9	170.6	0	111.2	D314 E338 R444	D314-K436 WeakPolarHBondContact OD2-CE 3.39Å; D314-K436 IonicContact OD2-NZ 2.63Å; D314-K436 PolarHBondContact OD2-NZ 3.14Å; E338-K436 IonicContact OE2-NZ 2.9Å; E338-K436 PolarHBondContact OE2-NZ 3.26Å; K436-R444 PolarHBondContact O-NH2 3.29Å
437	C	86.5	Confident	88	Confident	13 Å²	13	58 Å²	58	9%	0.088	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.6	138.5	172.6	-63	0	0	0	0	111.1	K440 G442 T443 C466	C437-K440 HydrophobicContact CB-CB 3.91Å; C437-G442 PolarHBondContact N-O 2.98Å; C437-G442 VanDerWaalsContact N-O 3.12Å; C437-G442 PolarHBondContact SG-O 2.69Å; C437-T443 PolarHBondContact SG-N 2.73Å; C437-C466 HydrophobicContact CB-CB 3.79Å; C437-C466 WeakPolarHBondContact CB-SG 3.28Å; C437-C466 WeakPolarHBondContact SG-CA 3.39Å; C437-C466 WeakPolarHBondContact SG-CB 3.49Å; C437-C466 CovalentContact SG-SG 2.02Å; C437-C466 PolarHBondContact SG-SG 3.42Å
438	K	84.8	Confident	88.1	Confident	154 Å²	154	57.9 Å²	57.9	67%	0.67	31%	0.306	S	S	*	.	S	Bend	trans	-77.4	125.2	174.1	-170.2	175.2	-178.9	176.4	0	109.4	K440	K438-K440 PolarHBondContact O-N 2.96Å
439	D	83.3	Confident	88.2	Confident	118 Å²	118	59 Å²	59	63%	0.631	32%	0.317	S	S	*	.	S	Bend	trans	57.6	6.7	179.3	-58.6	-47.9	0	0	0	116.7	K469	D439-K469 WeakPolarHBondContact O-CD 3.47Å; D439-K469 WeakPolarHBondContact O-CE 3.29Å
440	K	86.3	Confident	88.1	Confident	80 Å²	80	62 Å²	62	35%	0.348	34%	0.337	S	S	.	.	S	Bend	trans	-125.6	163.3	178.8	-64	-170	-171.7	-158.2	0	110.9	C437 K438 C466 V467 E468	C437-K440 HydrophobicContact CB-CB 3.91Å; K438-K440 PolarHBondContact O-N 2.96Å; K440-C466 HydrophobicContact CB-CB 4.17Å; K440-C466 HydrophobicContact CD-CB 4.04Å; K440-V467 WeakPolarHBondContact CB-O 3.38Å; K440-E468 WeakPolarHBondContact CE-OE1 3.12Å; K440-E468 IonicContact NZ-OE1 3.58Å; K440-E468 PolarHBondContact NZ-OE1 2.92Å
441	A	85.8	Confident	87.7	Confident	34 Å²	34	59.7 Å²	59.7	28%	0.281	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-82.3	155.8	170.5	0	0	0	0	0	110.5	C466 V467 A472	A441-C466 CarbonylContact O-C 3.55Å; A441-C466 VanDerWaalsContact O-CA 3.31Å; A441-C466 WeakPolarHBondContact O-CA 3.48Å; A441-V467 PolarHBondContact N-O 3.14Å; A441-V467 PolarHBondContact O-N 2.7Å; A441-A472 HydrophobicContact CB-CB 3.79Å
442	G	87.3	Confident	87.1	Confident	41 Å²	41	65.1 Å²	65.1	42%	0.423	34%	0.34	S	S	.	.	S	Bend	trans	94.7	-170.5	179.8	0	0	0	0	0	114.3	C437	C437-G442 PolarHBondContact N-O 2.98Å; C437-G442 VanDerWaalsContact N-O 3.12Å; C437-G442 PolarHBondContact SG-O 2.69Å
443	T	88.6	Confident	86	Confident	26 Å²	26	67.4 Å²	67.4	16%	0.16	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.8	-175.8	58.4	0	0	0	0	112	E434 I435 C437 E465	E434-T443 HydrophobicContact CG-CG2 4.04Å; E434-T443 WeakPolarHBondContact OE1-CB 3.5Å; E434-T443 VanDerWaalsContact OE1-CG2 3.27Å; E434-T443 WeakPolarHBondContact OE1-CG2 3.36Å; E434-T443 PolarHBondContact OE1-OG1 3.21Å; I435-T443 CarbonylContact O-C 3.58Å; I435-T443 VanDerWaalsContact O-CA 3.31Å; I435-T443 WeakPolarHBondContact O-CA 3.49Å; I435-T443 WeakPolarHBondContact O-CB 3.33Å; C437-T443 PolarHBondContact SG-N 2.73Å; T443-E465 WeakPolarHBondContact O-CA 3.35Å; T443-E465 WeakPolarHBondContact O-CB 3.44Å; T443-E465 PolarHBondContact O-N 3.22Å
444	R	90.3	Very high	85.4	Confident	42 Å²	42	70 Å²	70	16%	0.158	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.3	168.6	-63.8	173.8	-75.7	165.9	1.5	107.5	E423 W424 E434 I435 K436 E462 C466	E423-R444 IonicContact OE2-CZ 4Å; E423-R444 IonicContact OE2-NH1 3.47Å; E423-R444 PolarHBondContact OE2-NH1 3.25Å; E423-R444 IonicContact OE2-NH2 2.93Å; E423-R444 PolarHBondContact OE2-NH2 3Å; W424-R444 HydrophobicContact CH2-CB 3.93Å; W424-R444 WeakPolarHBondContact CH2-O 3.3Å; W424-R444 HydrophobicContact CZ2-CB 4.18Å; E434-R444 WeakPolarHBondContact CA-O 3.4Å; I435-R444 HydrophobicContact CD1-CB 4.41Å; I435-R444 VanDerWaalsContact CD1-CZ 3.44Å; I435-R444 VanDerWaalsContact CD1-NH2 3.29Å; I435-R444 HydrophobicContact CG1-CB 3.84Å; I435-R444 PolarHBondContact N-O 3.07Å; I435-R444 PolarHBondContact O-N 3.35Å; K436-R444 PolarHBondContact O-NH2 3.29Å; R444-E462 HydrophobicContact CB-CG 4.43Å; R444-E462 WeakPolarHBondContact CD-OE1 3.49Å; R444-C466 VanDerWaalsContact CG-SG 3.58Å
445	K	90.5	Very high	85	Confident	57 Å²	57	69 Å²	69	25%	0.248	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.5	-177.4	-69.3	168.2	-177.5	157.4	0	110.2	T432 A433 E434 V463 E465	T432-K445 HydrophobicContact CG2-CB 3.88Å; T432-K445 HydrophobicContact CG2-CG 4.44Å; A433-K445 CarbonylContact O-C 3.57Å; A433-K445 VanDerWaalsContact O-CA 3.28Å; A433-K445 WeakPolarHBondContact O-CA 3.42Å; E434-K445 HydrophobicContact CB-CG 4.27Å; E434-K445 VanDerWaalsContact CD-CE 3.43Å; E434-K445 HydrophobicContact CG-CG 3.99Å; E434-K445 WeakPolarHBondContact OE1-CE 3.4Å; E434-K445 IonicContact OE1-NZ 2.8Å; K445-V463 PolarHBondContact N-O 2.96Å; K445-V463 PolarHBondContact O-N 3.25Å; K445-E465 IonicContact NZ-OE1 3.81Å; K445-E465 IonicContact NZ-OE2 3.98Å; K445-E465 PolarHBondContact NZ-OE2 3.12Å
446	R	90.7	Very high	84.9	Confident	35 Å²	35	71.5 Å²	71.5	13%	0.132	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	123.2	176.1	-159	177	-177.5	-158.1	-1.7	110.4	E421 W424 T432 A433 W459 G460	E421-R446 IonicContact OE1-NH2 3.07Å; E421-R446 IonicContact OE2-CZ 2.87Å; E421-R446 VanDerWaalsContact OE2-CZ 3.27Å; E421-R446 IonicContact OE2-NH1 3.9Å; E421-R446 PolarHBondContact OE2-NH1 2.81Å; E421-R446 IonicContact OE2-NH2 3.23Å; E421-R446 PolarHBondContact OE2-NH2 3.07Å; W424-R446 HydrophobicContact CD2-CB 4.19Å; W424-R446 HydrophobicContact CE3-CB 4.15Å; W424-R446 HydrophobicContact CH2-CB 3.75Å; W424-R446 HydrophobicContact CZ2-CB 3.82Å; W424-R446 HydrophobicContact CZ3-CB 3.94Å; T432-R446 CarbonylContact C-O 3.58Å; T432-R446 WeakPolarHBondContact CA-O 3.31Å; A433-R446 PolarHBondContact N-O 3.33Å; A433-R446 PolarHBondContact O-N 2.92Å; R446-W459 HydrophobicContact CB-CE3 4.21Å; R446-W459 HydrophobicContact CB-CZ3 4.2Å; R446-W459 HydrophobicContact CG-CE3 3.79Å; R446-W459 HydrophobicContact CG-CZ3 4.29Å; R446-G460 VanDerWaalsContact CG-O 3.25Å; R446-G460 WeakPolarHBondContact CG-O 3.38Å; R446-G460 PolarHBondContact NE-O 3.42Å
447	K	91.5	Very high	85	Confident	118 Å²	118	67.1 Å²	67.1	51%	0.513	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.9	-177.5	-171.4	174	-178.1	178.5	0	110.4	G460	K447-G460 PolarHBondContact O-N 3Å
448	C	91.6	Very high	85.1	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.9	170	178.8	0	0	0	0	109.9	C418 T427 G430 F431 W459	C418-C448 HydrophobicContact CB-CB 3.92Å; C418-C448 WeakPolarHBondContact CB-SG 3.41Å; C418-C448 PolarHBondContact N-SG 3.14Å; C418-C448 WeakPolarHBondContact SG-CA 3.45Å; C418-C448 WeakPolarHBondContact SG-CB 3.38Å; C418-C448 CovalentContact SG-SG 2.03Å; C418-C448 PolarHBondContact SG-SG 2.92Å; T427-C448 HydrophobicContact CG2-CB 3.89Å; T427-C448 PolarHBondContact O-SG 3.36Å; T427-C448 VanDerWaalsContact O-SG 3.37Å; G430-C448 PolarHBondContact N-O 3.49Å; F431-C448 PolarHBondContact O-N 3.39Å; C448-W459 HydrophobicContact CB-CE3 4.12Å; C448-W459 HydrophobicContact CB-CZ3 3.99Å
449	S	91.4	Very high	85.4	Confident	50 Å²	50	65.5 Å²	65.5	35%	0.35	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	154.7	178.2	-60.9	0	0	0	0	111.4	G451 G457 I458	S449-G451 PolarHBondContact O-N 3.36Å; S449-G457 CarbonylContact O-C 3.56Å; S449-G457 WeakPolarHBondContact O-CA 3.46Å; S449-I458 PolarHBondContact N-O 2.87Å; S449-I458 PolarHBondContact O-N 3.17Å
450	S	86.8	Confident	85.6	Confident	79 Å²	79	61.1 Å²	61.1	55%	0.552	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	124.6	174.8	-65.3	0	0	0	0	110.7
451	G	79.9	Confident	85.7	Confident	6 Å²	6	64.5 Å²	64.5	6%	0.062	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-76.6	160.3	174.6	0	0	0	0	0	113.2	K416 S449 E456	K416-G451 PolarHBondContact NZ-O 3.3Å; S449-G451 PolarHBondContact O-N 3.36Å; G451-E456 WeakPolarHBondContact CA-O 3.46Å; G451-E456 PolarHBondContact N-O 3.13Å
452	E	75.4	Confident	85.7	Confident	186 Å²	186	67.3 Å²	67.3	87%	0.869	37%	0.373	S	S	*	.	S	Bend	trans	-75.2	-30.4	-175.4	-64.3	-175.6	170.9	0	0	113.2
453	T	65.3	Low	85.7	Confident	121 Å²	121	69.1 Å²	69.1	74%	0.742	38%	0.376	S	S	*	.	S	Bend	trans	-130.7	130.7	-175.7	56.9	0	0	0	0	112.8
454	G	76	Confident	85.5	Confident	61 Å²	61	70.7 Å²	70.7	63%	0.629	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	-150.6	175.7	0	0	0	0	0	113.9	K416	K416-G454 VanDerWaalsContact CE-O 3.28Å; K416-G454 WeakPolarHBondContact CE-O 3.38Å
455	R	80.6	Confident	85.4	Confident	90 Å²	90	73 Å²	73	34%	0.34	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-7.3	-172.4	-147.6	167.3	167.6	-157.1	-13.4	113.6	Y412 P413 E415 K416 Y417	Y412-R455 PolarHBondContact O-NH2 2.74Å; P413-R455 PolarHBondContact O-NE 2.9Å; P413-R455 PolarHBondContact O-NH1 3.41Å; P413-R455 PolarHBondContact O-NH2 2.82Å; E415-R455 VanDerWaalsContact O-CG 3.24Å; E415-R455 WeakPolarHBondContact O-CG 3.4Å; E415-R455 PolarHBondContact O-NE 3.46Å; E415-R455 VanDerWaalsContact O-NE 3.15Å; K416-R455 WeakPolarHBondContact CA-O 3.36Å; Y417-R455 HydrophobicContact CE1-CG 4.44Å; Y417-R455 PolarHBondContact N-O 2.97Å; Y417-R455 VanDerWaalsContact N-O 3.11Å
456	E	85.6	Confident	85.3	Confident	90 Å²	90	71.1 Å²	71.1	42%	0.421	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-80	130.2	-177.6	-160.5	62.5	-145.5	0	0	110.9	S419 G451	S419-E456 WeakPolarHBondContact CB-OE1 3.46Å; S419-E456 PolarHBondContact N-OE1 2.76Å; S419-E456 VanDerWaalsContact N-OE1 3.09Å; S419-E456 VanDerWaalsContact OG-CD 3.32Å; S419-E456 PolarHBondContact OG-OE1 3.42Å; S419-E456 PolarHBondContact OG-OE2 3.43Å; S419-E456 VanDerWaalsContact OG-OE2 3.06Å; G451-E456 WeakPolarHBondContact CA-O 3.46Å; G451-E456 PolarHBondContact N-O 3.13Å
457	G	87.3	Confident	85.4	Confident	9 Å²	9	70.1 Å²	70.1	9%	0.093	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	166.9	170.4	0	0	0	0	0	112.1	Y417 C418 S449	Y417-G457 PolarHBondContact O-N 2.95Å; C418-G457 VanDerWaalsContact SG-C 3.57Å; S449-G457 CarbonylContact O-C 3.56Å; S449-G457 WeakPolarHBondContact O-CA 3.46Å
458	I	88.9	Confident	85.3	Confident	99 Å²	99	66.1 Å²	66.1	51%	0.508	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.7	174.5	-58.9	170.2	0	0	0	107.7	S449	S449-I458 PolarHBondContact N-O 2.87Å; S449-I458 PolarHBondContact O-N 3.17Å
459	W	91	Very high	85.2	Confident	33 Å²	33	71.6 Å²	71.6	13%	0.125	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	129.3	170	-76	121.7	0	0	0	110.6	C418 S419 E421 W424 T427 A433 R446 C448	C418-W459 HydrophobicContact CB-CD2 3.55Å; C418-W459 HydrophobicContact CB-CE3 4.08Å; C418-W459 HydrophobicContact CB-CG 4Å; C418-W459 HydrophobicContact CB-CH2 4.14Å; C418-W459 HydrophobicContact CB-CZ2 3.57Å; C418-W459 HydrophobicContact CB-CZ3 4.35Å; S419-W459 PolarHBondContact O-NE1 3.21Å; E421-W459 VanDerWaalsContact OE2-CD1 3.25Å; W424-W459 HydrophobicContact CB-CH2 4.23Å; W424-W459 HydrophobicContact CB-CZ2 4.05Å; T427-W459 VanDerWaalsContact CB-CH2 3.47Å; T427-W459 HydrophobicContact CG2-CH2 4.24Å; T427-W459 HydrophobicContact CG2-CZ3 4.4Å; T427-W459 WeakPolarHBondContact OG1-CH2 3.42Å; A433-W459 HydrophobicContact CB-CH2 3.91Å; A433-W459 HydrophobicContact CB-CZ3 3.94Å; R446-W459 HydrophobicContact CB-CE3 4.21Å; R446-W459 HydrophobicContact CB-CZ3 4.2Å; R446-W459 HydrophobicContact CG-CE3 3.79Å; R446-W459 HydrophobicContact CG-CZ3 4.29Å; C448-W459 HydrophobicContact CB-CE3 4.12Å; C448-W459 HydrophobicContact CB-CZ3 3.99Å
460	G	87.4	Confident	85.2	Confident	26 Å²	26	74 Å²	74	27%	0.268	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-179.4	167.5	0	0	0	0	0	112.4	R446 K447	R446-G460 VanDerWaalsContact CG-O 3.25Å; R446-G460 WeakPolarHBondContact CG-O 3.38Å; R446-G460 PolarHBondContact NE-O 3.42Å; K447-G460 PolarHBondContact O-N 3Å
461	D	87.1	Confident	85.4	Confident	152 Å²	152	70.3 Å²	70.3	81%	0.813	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	146.9	176	-61	-50.8	0	0	0	111.8
462	E	87.1	Confident	86	Confident	92 Å²	92	71 Å²	71	43%	0.43	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.8	174.6	-179.4	179.8	139.8	0	0	110.2	W424 R444	W424-E462 HydrophobicContact CZ2-CG 4Å; R444-E462 HydrophobicContact CB-CG 4.43Å; R444-E462 WeakPolarHBondContact CD-OE1 3.49Å
463	V	86.1	Confident	86.9	Confident	79 Å²	79	64.6 Å²	64.6	48%	0.479	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	110.7	171	-177.3	0	0	0	0	108.3	K445	K445-V463 PolarHBondContact N-O 2.96Å; K445-V463 PolarHBondContact O-N 3.25Å
464	S	86.1	Confident	88.3	Confident	60 Å²	60	59 Å²	59	42%	0.42	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.2	179.6	-170.8	0	0	0	0	111.1	C466	S464-C466 VanDerWaalsContact C-N 3.32Å; S464-C466 PolarHBondContact OG-SG 3.45Å
465	E	86.8	Confident	89.2	Confident	89 Å²	89	58.1 Å²	58.1	42%	0.416	31%	0.31	S	S	.	.			trans	-100.4	27	171.5	-61.6	177.9	167.7	0	0	110.8	T443 K445	T443-E465 WeakPolarHBondContact O-CA 3.35Å; T443-E465 WeakPolarHBondContact O-CB 3.44Å; T443-E465 PolarHBondContact O-N 3.22Å; K445-E465 IonicContact NZ-OE1 3.81Å; K445-E465 IonicContact NZ-OE2 3.98Å; K445-E465 PolarHBondContact NZ-OE2 3.12Å
466	C	89.8	Confident	89.8	Confident	19 Å²	19	59.6 Å²	59.6	13%	0.128	32%	0.32	C	S	.	.			trans	-75.1	127.7	-177.4	-57.8	0	0	0	0	112.3	C437 K440 A441 R444 S464	C437-C466 HydrophobicContact CB-CB 3.79Å; C437-C466 WeakPolarHBondContact CB-SG 3.28Å; C437-C466 WeakPolarHBondContact SG-CA 3.39Å; C437-C466 WeakPolarHBondContact SG-CB 3.49Å; C437-C466 CovalentContact SG-SG 2.02Å; C437-C466 PolarHBondContact SG-SG 3.42Å; K440-C466 HydrophobicContact CB-CB 4.17Å; K440-C466 HydrophobicContact CD-CB 4.04Å; A441-C466 CarbonylContact O-C 3.55Å; A441-C466 VanDerWaalsContact O-CA 3.31Å; A441-C466 WeakPolarHBondContact O-CA 3.48Å; R444-C466 VanDerWaalsContact CG-SG 3.58Å; S464-C466 VanDerWaalsContact C-N 3.32Å; S464-C466 PolarHBondContact OG-SG 3.45Å
467	V	90.9	Very high	90.2	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.079	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-122.2	142	-179	-178.1	0	0	0	0	110.1	K440 A441 K469 L471 A472 A512 N513 T516	K440-V467 WeakPolarHBondContact CB-O 3.38Å; A441-V467 PolarHBondContact N-O 3.14Å; A441-V467 PolarHBondContact O-N 2.7Å; V467-K469 PolarHBondContact O-N 2.91Å; V467-L471 HydrophobicContact CG1-CB 4.12Å; V467-L471 HydrophobicContact CG1-CD2 3.98Å; V467-L471 HydrophobicContact CG1-CG 4.1Å; V467-A472 HydrophobicContact CG1-CB 4.46Å; V467-A512 HydrophobicContact CG2-CB 4.03Å; V467-N513 WeakPolarHBondContact CA-OD1 3.02Å; V467-T516 HydrophobicContact CG1-CG2 3.95Å; V467-T516 WeakPolarHBondContact CG2-OG1 3.02Å
468	E	91.1	Very high	90.5	Very high	34 Å²	34	56.1 Å²	56.1	16%	0.159	30%	0.304	C	S	.	.			trans	-56.5	134.3	173.9	-62.9	-55.3	146.8	0	0	111.6	K440 D470 L471 A472 L506 L508 N513	K440-E468 WeakPolarHBondContact CE-OE1 3.12Å; K440-E468 IonicContact NZ-OE1 3.58Å; K440-E468 PolarHBondContact NZ-OE1 2.92Å; E468-D470 VanDerWaalsContact C-N 3.3Å; E468-D470 PolarHBondContact O-N 3.16Å; E468-L471 HydrophobicContact CB-CB 4.14Å; E468-L471 WeakPolarHBondContact O-CB 3.18Å; E468-L471 PolarHBondContact O-N 3.21Å; E468-A472 PolarHBondContact O-N 2.77Å; E468-L506 HydrophobicContact CG-CD2 4.17Å; E468-L508 HydrophobicContact CG-CD2 4.19Å; E468-N513 PolarHBondContact N-OD1 3.45Å
469	K	89.1	Confident	90.8	Very high	116 Å²	116	53.7 Å²	53.7	50%	0.504	30%	0.298	S	S	.	.	H	α-helix	trans	-57.8	-42.1	-174.9	-74.3	177.5	176.5	165.7	0	112.5	D439 V467 L471 A472 S473	D439-K469 WeakPolarHBondContact O-CD 3.47Å; D439-K469 WeakPolarHBondContact O-CE 3.29Å; V467-K469 PolarHBondContact O-N 2.91Å; K469-L471 VanDerWaalsContact C-N 3.3Å; K469-L471 PolarHBondContact O-N 3.41Å; K469-A472 PolarHBondContact O-N 2.9Å; K469-S473 PolarHBondContact O-N 3.1Å
470	D	90.3	Very high	90.8	Very high	101 Å²	101	55.5 Å²	55.5	54%	0.54	31%	0.31	S	S	.	.	H	α-helix	trans	-64.8	-36.8	178.3	-63	-25.3	0	0	0	111.4	E468 S473 V474 V502	E468-D470 VanDerWaalsContact C-N 3.3Å; E468-D470 PolarHBondContact O-N 3.16Å; D470-S473 PolarHBondContact O-N 2.89Å; D470-V474 WeakPolarHBondContact O-CG2 3.36Å; D470-V474 PolarHBondContact O-N 3.31Å; D470-V502 HydrophobicContact CB-CG2 3.74Å
471	L	92.8	Very high	91.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-68.7	-41.6	176	-177.8	57.1	0	0	0	111.8	V467 E468 K469 S473 V474 L475 F499 V502 L508 N513 T516	V467-L471 HydrophobicContact CG1-CB 4.12Å; V467-L471 HydrophobicContact CG1-CD2 3.98Å; V467-L471 HydrophobicContact CG1-CG 4.1Å; E468-L471 HydrophobicContact CB-CB 4.14Å; E468-L471 WeakPolarHBondContact O-CB 3.18Å; E468-L471 PolarHBondContact O-N 3.21Å; K469-L471 VanDerWaalsContact C-N 3.3Å; K469-L471 PolarHBondContact O-N 3.41Å; L471-S473 VanDerWaalsContact C-N 3.3Å; L471-S473 PolarHBondContact O-N 3.34Å; L471-V474 WeakPolarHBondContact O-CB 3.44Å; L471-V474 PolarHBondContact O-N 2.76Å; L471-L475 PolarHBondContact O-N 3.42Å; L471-L475 VanDerWaalsContact O-N 3.08Å; L471-F499 HydrophobicContact CD1-CD2 3.96Å; L471-F499 HydrophobicContact CD1-CE2 3.66Å; L471-V502 HydrophobicContact CB-CG1 3.93Å; L471-V502 HydrophobicContact CD1-CG1 4.28Å; L471-L508 HydrophobicContact CD2-CD2 4.24Å; L471-N513 HydrophobicContact CD2-CB 4.33Å; L471-N513 WeakPolarHBondContact CD2-O 3.41Å; L471-T516 HydrophobicContact CD1-CG2 4.42Å; L471-T516 HydrophobicContact CD2-CG2 4.14Å; L471-T516 HydrophobicContact CG-CG2 3.81Å
472	A	92.3	Very high	91.3	Very high	22 Å²	22	48.5 Å²	48.5	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-41.4	173.7	0	0	0	0	0	111.2	A441 V467 E468 K469 V474 L475 E476	A441-A472 HydrophobicContact CB-CB 3.79Å; V467-A472 HydrophobicContact CG1-CB 4.46Å; E468-A472 PolarHBondContact O-N 2.77Å; K469-A472 PolarHBondContact O-N 2.9Å; A472-V474 VanDerWaalsContact C-N 3.34Å; A472-V474 PolarHBondContact O-N 2.95Å; A472-L475 PolarHBondContact O-N 3.37Å; A472-E476 WeakPolarHBondContact O-CG 3.36Å; A472-E476 PolarHBondContact O-N 2.83Å
473	S	92.8	Very high	91.5	Very high	50 Å²	50	44.8 Å²	44.8	35%	0.35	25%	0.249	S	C	.	.	H	α-helix	trans	-63.8	-36.3	175.1	-176.2	0	0	0	0	113	K469 D470 L471 E476 T477	K469-S473 PolarHBondContact O-N 3.1Å; D470-S473 PolarHBondContact O-N 2.89Å; L471-S473 VanDerWaalsContact C-N 3.3Å; L471-S473 PolarHBondContact O-N 3.34Å; S473-E476 PolarHBondContact O-N 3.22Å; S473-T477 PolarHBondContact O-N 2.92Å; S473-T477 PolarHBondContact O-OG1 2.86Å
474	V	95.3	Very high	91.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-44.4	172.5	170	0	0	0	0	110.8	D470 L471 A472 T477 A478 V495 R498 F499 V502 V520	D470-V474 WeakPolarHBondContact O-CG2 3.36Å; D470-V474 PolarHBondContact O-N 3.31Å; L471-V474 WeakPolarHBondContact O-CB 3.44Å; L471-V474 PolarHBondContact O-N 2.76Å; A472-V474 VanDerWaalsContact C-N 3.34Å; A472-V474 PolarHBondContact O-N 2.95Å; V474-T477 PolarHBondContact O-N 3.44Å; V474-A478 WeakPolarHBondContact O-CB 3.4Å; V474-A478 PolarHBondContact O-N 3.46Å; V474-V495 HydrophobicContact CG1-CG1 4.32Å; V474-R498 HydrophobicContact CG2-CB 3.79Å; V474-F499 HydrophobicContact CG1-CB 3.76Å; V474-F499 HydrophobicContact CG1-CD2 3.95Å; V474-F499 HydrophobicContact CG1-CG 4.13Å; V474-V502 HydrophobicContact CG2-CG2 4.07Å; V474-V520 HydrophobicContact CG1-CG1 3.99Å; V474-V520 HydrophobicContact CG1-CG2 4.03Å
475	L	95.6	Very high	91.9	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.225	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-42.1	177.1	178.5	60.9	0	0	0	112	L471 A472 T477 A478 A479 T516 T519 V520	L471-L475 PolarHBondContact O-N 3.42Å; L471-L475 VanDerWaalsContact O-N 3.08Å; A472-L475 PolarHBondContact O-N 3.37Å; L475-T477 VanDerWaalsContact C-N 3.32Å; L475-T477 PolarHBondContact O-N 3.22Å; L475-A478 WeakPolarHBondContact O-CB 3.31Å; L475-A478 PolarHBondContact O-N 3.5Å; L475-A479 PolarHBondContact O-N 3.38Å; L475-T516 HydrophobicContact CB-CG2 4.24Å; L475-T516 HydrophobicContact CD2-CG2 3.95Å; L475-T519 HydrophobicContact CD1-CG2 3.87Å; L475-T519 HydrophobicContact CD2-CG2 4.2Å; L475-V520 HydrophobicContact CB-CG2 3.94Å; L475-V520 HydrophobicContact CD1-CG2 4.08Å
476	E	92.6	Very high	92.1	Very high	121 Å²	121	35.2 Å²	35.2	57%	0.565	20%	0.197	S	C	*	.	H	α-helix	trans	-59.7	-43.6	173.9	-71.5	-179	166.4	0	0	111.5	A472 S473 A478 A479 I480	A472-E476 WeakPolarHBondContact O-CG 3.36Å; A472-E476 PolarHBondContact O-N 2.83Å; S473-E476 PolarHBondContact O-N 3.22Å; E476-A478 VanDerWaalsContact C-N 3.33Å; E476-A478 PolarHBondContact O-N 3.38Å; E476-A479 PolarHBondContact O-N 3.23Å; E476-I480 WeakPolarHBondContact O-CG1 3.27Å; E476-I480 PolarHBondContact O-N 2.81Å
477	T	93.4	Very high	92.1	Very high	26 Å²	26	40.6 Å²	40.6	16%	0.16	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-39.1	176.5	-50.2	0	0	0	0	111.4	S473 V474 L475 I480 S481 V495 R498	S473-T477 PolarHBondContact O-N 2.92Å; S473-T477 PolarHBondContact O-OG1 2.86Å; V474-T477 PolarHBondContact O-N 3.44Å; L475-T477 VanDerWaalsContact C-N 3.32Å; L475-T477 PolarHBondContact O-N 3.22Å; T477-I480 WeakPolarHBondContact O-CG1 3.42Å; T477-S481 PolarHBondContact O-N 3.42Å; T477-V495 HydrophobicContact CG2-CG2 3.82Å; T477-R498 PolarHBondContact OG1-NH1 3.47Å
478	A	95.1	Very high	92.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-42.8	176.5	0	0	0	0	0	112	V474 L475 E476 I480 S481 V495 T523 M524	V474-A478 WeakPolarHBondContact O-CB 3.4Å; V474-A478 PolarHBondContact O-N 3.46Å; L475-A478 WeakPolarHBondContact O-CB 3.31Å; L475-A478 PolarHBondContact O-N 3.5Å; E476-A478 VanDerWaalsContact C-N 3.33Å; E476-A478 PolarHBondContact O-N 3.38Å; A478-I480 VanDerWaalsContact C-N 3.25Å; A478-I480 PolarHBondContact O-N 2.89Å; A478-S481 WeakPolarHBondContact O-CB 3.43Å; A478-S481 PolarHBondContact O-N 2.68Å; A478-S481 PolarHBondContact O-OG 3.06Å; A478-V495 HydrophobicContact CB-CG1 3.82Å; A478-V495 HydrophobicContact CB-CG2 4.34Å; A478-T523 HydrophobicContact CB-CG2 4.15Å; A478-M524 HydrophobicContact CB-CG 4.2Å; A478-M524 HydrophobicContact CB-SD 3.78Å
479	A	93.8	Very high	92	Very high	48 Å²	48	43 Å²	43	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-30.3	-178.1	0	0	0	0	0	113.3	L475 E476	L475-A479 PolarHBondContact O-N 3.38Å; E476-A479 PolarHBondContact O-N 3.23Å
480	I	91.8	Very high	92.1	Very high	71 Å²	71	40.3 Å²	40.3	36%	0.364	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.7	-179.7	68.7	175.7	0	0	0	113.9	L279 E476 T477 A478 D482 I483	L279-I480 HydrophobicContact CD1-CB 4.49Å; L279-I480 HydrophobicContact CD1-CD1 3.82Å; L279-I480 HydrophobicContact CD1-CG2 4.37Å; E476-I480 WeakPolarHBondContact O-CG1 3.27Å; E476-I480 PolarHBondContact O-N 2.81Å; T477-I480 WeakPolarHBondContact O-CG1 3.42Å; A478-I480 VanDerWaalsContact C-N 3.25Å; A478-I480 PolarHBondContact O-N 2.89Å; I480-D482 PolarHBondContact O-N 2.04Å; I480-I483 HydrophobicContact CB-CD1 4.31Å; I480-I483 HydrophobicContact CB-CG2 4.14Å; I480-I483 WeakPolarHBondContact O-CG1 3.46Å; I480-I483 WeakPolarHBondContact O-CG2 3.35Å; I480-I483 PolarHBondContact O-N 2.94Å
481	S	92.9	Very high	92.2	Very high	4 Å²	4	37 Å²	37	3%	0.028	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.7	-172.5	58.3	0	0	0	0	114.7	T477 A478 N491	T477-S481 PolarHBondContact O-N 3.42Å; A478-S481 WeakPolarHBondContact O-CB 3.43Å; A478-S481 PolarHBondContact O-N 2.68Å; A478-S481 PolarHBondContact O-OG 3.06Å; S481-N491 PolarHBondContact O-ND2 2.86Å
482	D	91.9	Very high	92.2	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.144	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	9.1	-175	72.5	-41.1	0	0	0	114.1	G257 S258 I480 G484 L488 K527	G257-D482 CarbonylContact C-O 3.58Å; G257-D482 WeakPolarHBondContact CA-O 3.45Å; S258-D482 VanDerWaalsContact CB-OD2 3.25Å; S258-D482 WeakPolarHBondContact CB-OD2 3.38Å; S258-D482 PolarHBondContact N-O 2.85Å; S258-D482 PolarHBondContact OG-O 2.89Å; S258-D482 PolarHBondContact OG-OD1 3.44Å; S258-D482 PolarHBondContact OG-OD2 2.89Å; S258-D482 VanDerWaalsContact OG-OD2 3.06Å; I480-D482 PolarHBondContact O-N 2.04Å; D482-G484 PolarHBondContact O-N 3.47Å; D482-G484 VanDerWaalsContact O-N 3.09Å; D482-L488 HydrophobicContact CB-CD1 3.94Å; D482-K527 HydrophobicContact CB-CD 4.22Å; D482-K527 VanDerWaalsContact OD1-CE 3.31Å; D482-K527 WeakPolarHBondContact OD1-CE 3.3Å; D482-K527 IonicContact OD1-NZ 3.9Å; D482-K527 PolarHBondContact OD1-NZ 2.86Å; D482-K527 WeakPolarHBondContact OD2-CD 3.22Å; D482-K527 IonicContact OD2-NZ 2.8Å; D482-K527 PolarHBondContact OD2-NZ 3.3Å
483	I	91.9	Very high	92.3	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.067	21%	0.206	C	C	.	.	S	Bend	trans	-66.4	-15.2	-175.6	66.7	179	0	0	0	113.3	I259 S260 L279 W280 I480 L485	I259-I483 HydrophobicContact CB-CB 4.31Å; I259-I483 HydrophobicContact CD1-CB 3.9Å; I259-I483 HydrophobicContact CD1-CG2 3.58Å; I259-I483 HydrophobicContact CG1-CB 4.12Å; I259-I483 HydrophobicContact CG1-CG2 4.08Å; S260-I483 PolarHBondContact N-O 3.03Å; S260-I483 PolarHBondContact OG-O 2.78Å; L279-I483 HydrophobicContact CD1-CD1 3.75Å; W280-I483 WeakPolarHBondContact CZ2-O 3.37Å; I480-I483 HydrophobicContact CB-CD1 4.31Å; I480-I483 HydrophobicContact CB-CG2 4.14Å; I480-I483 WeakPolarHBondContact O-CG1 3.46Å; I480-I483 WeakPolarHBondContact O-CG2 3.35Å; I480-I483 PolarHBondContact O-N 2.94Å; I483-L485 HydrophobicContact CD1-CB 4.35Å; I483-L485 HydrophobicContact CD1-CD1 3.9Å; I483-L485 HydrophobicContact CD1-CG 4.17Å; I483-L485 HydrophobicContact CG1-CB 4.22Å; I483-L485 HydrophobicContact CG1-CG 4.29Å
484	G	89.4	Confident	92.3	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	21%	0.206	C	C	.	.	S	Bend	trans	92.6	20.2	-179.8	0	0	0	0	0	114.5	I254 T255 S260 D482	I254-G484 WeakPolarHBondContact CA-O 3.1Å; T255-G484 PolarHBondContact N-O 3.3Å; S260-G484 VanDerWaalsContact OG-CA 3.28Å; S260-G484 WeakPolarHBondContact OG-CA 3.46Å; S260-G484 PolarHBondContact OG-O 3.09Å; D482-G484 PolarHBondContact O-N 3.47Å; D482-G484 VanDerWaalsContact O-N 3.09Å
485	L	91.4	Very high	92.3	Very high	13 Å²	13	37.5 Å²	37.5	7%	0.068	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-96.1	106	159.2	-68.2	179.3	0	0	0	108.7	L245 F252 I254 L279 W280 I483 N491	L245-L485 HydrophobicContact CB-CD2 4.4Å; L245-L485 HydrophobicContact CD2-CD1 4.48Å; L245-L485 HydrophobicContact CD2-CD2 3.88Å; F252-L485 HydrophobicContact CB-CD2 4.29Å; I254-L485 HydrophobicContact CG1-CD2 4.36Å; L279-L485 HydrophobicContact CB-CD1 4.14Å; L279-L485 WeakPolarHBondContact O-CD1 3.38Å; W280-L485 HydrophobicContact CD2-CD1 4.49Å; W280-L485 HydrophobicContact CD2-CD2 4.37Å; W280-L485 HydrophobicContact CD2-CG 4.47Å; W280-L485 HydrophobicContact CE3-CD2 3.83Å; W280-L485 HydrophobicContact CE3-CG 4.38Å; W280-L485 HydrophobicContact CH2-CD2 3.61Å; W280-L485 HydrophobicContact CH2-CG 3.8Å; W280-L485 HydrophobicContact CZ2-CD2 4.18Å; W280-L485 HydrophobicContact CZ2-CG 3.89Å; W280-L485 HydrophobicContact CZ3-CD2 3.43Å; W280-L485 VanDerWaalsContact CZ3-CD2 3.43Å; W280-L485 HydrophobicContact CZ3-CG 4.08Å; I483-L485 HydrophobicContact CD1-CB 4.35Å; I483-L485 HydrophobicContact CD1-CD1 3.9Å; I483-L485 HydrophobicContact CD1-CG 4.17Å; I483-L485 HydrophobicContact CG1-CB 4.22Å; I483-L485 HydrophobicContact CG1-CG 4.29Å; L485-N491 PolarHBondContact O-ND2 2.97Å
486	G	90	Very high	92.4	Very high	13 Å²	13	35.5 Å²	35.5	13%	0.134	19%	0.194	C	C	.	.	S	Bend	trans	84.2	164.3	-173.1	0	0	0	0	0	112.9	L253 T255	L253-G486 WeakPolarHBondContact O-CA 3.31Å; L253-G486 PolarHBondContact O-N 2.68Å; T255-G486 PolarHBondContact OG1-O 3.15Å; T255-G486 VanDerWaalsContact OG1-O 3.13Å
487	K	89.7	Confident	92.5	Very high	132 Å²	132	33.6 Å²	33.6	57%	0.574	19%	0.185	S	C	*	.			trans	-69.6	133.6	173.4	-65.1	-178.3	-179.4	-179.9	0	109.5	L253 E489 S490 N491	L253-K487 HydrophobicContact CD2-CG 4.46Å; K487-E489 VanDerWaalsContact C-N 3.26Å; K487-E489 PolarHBondContact O-N 3.25Å; K487-S490 WeakPolarHBondContact O-CB 3.09Å; K487-S490 PolarHBondContact O-N 2.87Å; K487-N491 PolarHBondContact O-N 2.82Å
488	L	90.9	Very high	92.6	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-52	-42.9	-179.3	176.9	60.4	0	0	0	112.8	D482 S490 N491 A492 L528	D482-L488 HydrophobicContact CB-CD1 3.94Å; L488-S490 PolarHBondContact O-N 2.84Å; L488-N491 PolarHBondContact O-N 2.9Å; L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.49Å; L488-L528 HydrophobicContact CD1-CD2 4.43Å; L488-L528 HydrophobicContact CD2-CD2 4.15Å; L488-L528 HydrophobicContact CG-CD2 3.94Å
489	E	89.1	Confident	92.6	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.262	20%	0.199	S	C	.	.	H	α-helix	trans	-63	-41.5	178.5	-173.5	-177.6	-172.4	0	0	112.7	K487 A492 A493 T534 N535	K487-E489 VanDerWaalsContact C-N 3.26Å; K487-E489 PolarHBondContact O-N 3.25Å; E489-A492 PolarHBondContact O-N 2.98Å; E489-A493 PolarHBondContact O-N 2.82Å; E489-T534 VanDerWaalsContact OE1-CA 3.27Å; E489-T534 WeakPolarHBondContact OE1-CA 3.45Å; E489-T534 WeakPolarHBondContact OE1-CB 3.34Å; E489-T534 PolarHBondContact OE1-N 2.66Å; E489-T534 PolarHBondContact OE1-OG1 2.89Å; E489-N535 PolarHBondContact OE1-N 3.41Å
490	S	90.9	Very high	92.6	Very high	61 Å²	61	36.4 Å²	36.4	43%	0.427	19%	0.185	S	C	.	.	H	α-helix	trans	-66.6	-40.6	176.6	-55.7	0	0	0	0	111.2	K487 L488 A493 I494	K487-S490 WeakPolarHBondContact O-CB 3.09Å; K487-S490 PolarHBondContact O-N 2.87Å; L488-S490 PolarHBondContact O-N 2.84Å; S490-A493 WeakPolarHBondContact O-CB 3.2Å; S490-A493 PolarHBondContact O-N 2.89Å; S490-I494 WeakPolarHBondContact O-CG1 3.38Å; S490-I494 PolarHBondContact O-N 2.95Å; S490-I494 VanDerWaalsContact O-N 3.12Å
491	N	92.2	Very high	92.6	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.171	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-42.7	175.9	-67.3	-12.2	0	0	0	111.4	S481 L485 K487 L488 A493 I494 V495	S481-N491 PolarHBondContact O-ND2 2.86Å; L485-N491 PolarHBondContact O-ND2 2.97Å; K487-N491 PolarHBondContact O-N 2.82Å; L488-N491 PolarHBondContact O-N 2.9Å; N491-A493 VanDerWaalsContact C-N 3.33Å; N491-A493 PolarHBondContact O-N 2.87Å; N491-I494 WeakPolarHBondContact O-CB 3.49Å; N491-I494 PolarHBondContact O-N 2.89Å; N491-V495 WeakPolarHBondContact O-CG2 3.33Å; N491-V495 PolarHBondContact O-N 2.79Å
492	A	93.2	Very high	92.4	Very high	2 Å²	2	38.5 Å²	38.5	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-41.9	174.9	0	0	0	0	0	112.1	L488 E489 I494 V495 F496 M524 L528	L488-A492 WeakPolarHBondContact O-CB 3.43Å; L488-A492 PolarHBondContact O-N 3.49Å; E489-A492 PolarHBondContact O-N 2.98Å; A492-I494 VanDerWaalsContact C-N 3.32Å; A492-I494 PolarHBondContact O-N 2.88Å; A492-V495 PolarHBondContact O-N 3.13Å; A492-F496 HydrophobicContact CB-CE2 4.38Å; A492-F496 WeakPolarHBondContact O-CD2 3.49Å; A492-F496 PolarHBondContact O-N 3.44Å; A492-M524 HydrophobicContact CB-CE 3.37Å; A492-L528 HydrophobicContact CB-CD1 4.12Å; A492-L528 HydrophobicContact CB-CD2 3.97Å; A492-L528 HydrophobicContact CB-CG 4.42Å
493	A	93.9	Very high	92.2	Very high	14 Å²	14	37.2 Å²	37.2	12%	0.116	19%	0.185	C	C	.	.	H	α-helix	trans	-59.4	-42.6	175.3	0	0	0	0	0	112	E489 S490 N491 F496 E497 A538	E489-A493 PolarHBondContact O-N 2.82Å; S490-A493 WeakPolarHBondContact O-CB 3.2Å; S490-A493 PolarHBondContact O-N 2.89Å; N491-A493 VanDerWaalsContact C-N 3.33Å; N491-A493 PolarHBondContact O-N 2.87Å; A493-F496 PolarHBondContact O-N 2.88Å; A493-E497 WeakPolarHBondContact O-CB 3.31Å; A493-E497 PolarHBondContact O-N 3.02Å; A493-A538 HydrophobicContact CB-CB 3.83Å
494	I	93.5	Very high	91.7	Very high	69 Å²	69	43.4 Å²	43.4	35%	0.354	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-42.5	175.9	-66.1	164.8	0	0	0	111.1	S490 N491 A492 E497 R498	S490-I494 WeakPolarHBondContact O-CG1 3.38Å; S490-I494 PolarHBondContact O-N 2.95Å; S490-I494 VanDerWaalsContact O-N 3.12Å; N491-I494 WeakPolarHBondContact O-CB 3.49Å; N491-I494 PolarHBondContact O-N 2.89Å; A492-I494 VanDerWaalsContact C-N 3.32Å; A492-I494 PolarHBondContact O-N 2.88Å; I494-E497 PolarHBondContact O-N 3.32Å; I494-R498 WeakPolarHBondContact O-CG 3.28Å; I494-R498 PolarHBondContact O-N 2.92Å
495	V	96.1	Very high	91	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-51.3	176.8	172.7	0	0	0	0	110.4	V474 T477 A478 N491 A492 E497 R498 F499 V520 M524	V474-V495 HydrophobicContact CG1-CG1 4.32Å; T477-V495 HydrophobicContact CG2-CG2 3.82Å; A478-V495 HydrophobicContact CB-CG1 3.82Å; A478-V495 HydrophobicContact CB-CG2 4.34Å; N491-V495 WeakPolarHBondContact O-CG2 3.33Å; N491-V495 PolarHBondContact O-N 2.79Å; A492-V495 PolarHBondContact O-N 3.13Å; V495-E497 PolarHBondContact O-N 2.93Å; V495-R498 PolarHBondContact O-N 2.81Å; V495-F499 VanDerWaalsContact O-CB 3.29Å; V495-F499 WeakPolarHBondContact O-CB 3.33Å; V495-F499 PolarHBondContact O-N 3.5Å; V495-V520 HydrophobicContact CG1-CG1 4.27Å; V495-M524 HydrophobicContact CB-SD 4.14Å; V495-M524 HydrophobicContact CG1-CG 3.97Å; V495-M524 HydrophobicContact CG1-SD 3.81Å; V495-M524 HydrophobicContact CG2-SD 4.12Å
496	F	96.2	Very high	89.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-34.9	-179.2	-65.1	-52.2	0	0	0	112.8	A492 A493 F499 V500 F521 M524 L528 A538 N541 Y542 L581	A492-F496 HydrophobicContact CB-CE2 4.38Å; A492-F496 WeakPolarHBondContact O-CD2 3.49Å; A492-F496 PolarHBondContact O-N 3.44Å; A493-F496 PolarHBondContact O-N 2.88Å; F496-F499 PolarHBondContact O-N 3.46Å; F496-V500 PolarHBondContact O-N 2.68Å; F496-F521 HydrophobicContact CE1-CE1 4.49Å; F496-M524 HydrophobicContact CE1-CB 4.18Å; F496-M524 HydrophobicContact CE1-CG 4.06Å; F496-M524 HydrophobicContact CE2-CE 4.39Å; F496-M524 HydrophobicContact CZ-CB 3.86Å; F496-M524 HydrophobicContact CZ-CE 4.39Å; F496-M524 HydrophobicContact CZ-CG 4.02Å; F496-L528 HydrophobicContact CE2-CD1 4.34Å; F496-A538 HydrophobicContact CD2-CB 4.25Å; F496-N541 HydrophobicContact CB-CB 4Å; F496-Y542 VanDerWaalsContact CD1-CB 3.4Å; F496-Y542 HydrophobicContact CD1-CG 4.49Å; F496-Y542 HydrophobicContact CD2-CD1 4.32Å; F496-Y542 HydrophobicContact CE1-CG 4.35Å; F496-Y542 HydrophobicContact CE2-CD1 4.15Å; F496-Y542 HydrophobicContact CZ-CD1 4.29Å; F496-Y542 HydrophobicContact CZ-CG 4.44Å; F496-L581 HydrophobicContact CZ-CD1 4.23Å; F496-L581 HydrophobicContact CZ-CD2 4.26Å
497	E	95.6	Very high	88.5	Confident	81 Å²	81	58.6 Å²	58.6	38%	0.379	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-42.2	174.2	-166.4	-155.5	154.9	0	0	112.1	A493 I494 V495 V500 K501	A493-E497 WeakPolarHBondContact O-CB 3.31Å; A493-E497 PolarHBondContact O-N 3.02Å; I494-E497 PolarHBondContact O-N 3.32Å; V495-E497 PolarHBondContact O-N 2.93Å; E497-V500 VanDerWaalsContact O-CG1 3.27Å; E497-V500 WeakPolarHBondContact O-CG1 3.46Å; E497-K501 WeakPolarHBondContact O-CG 3.2Å; E497-K501 PolarHBondContact O-N 3.08Å; E497-K501 WeakPolarHBondContact OE1-CE 3.31Å; E497-K501 IonicContact OE1-NZ 3.38Å; E497-K501 PolarHBondContact OE1-NZ 2.83Å
498	R	94.8	Very high	87.5	Confident	116 Å²	116	52.3 Å²	52.3	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-68.7	-41	174.6	-69.5	179	176.7	-167.9	-2.5	111	V474 T477 I494 V495 V500 K501 V502	V474-R498 HydrophobicContact CG2-CB 3.79Å; T477-R498 PolarHBondContact OG1-NH1 3.47Å; I494-R498 WeakPolarHBondContact O-CG 3.28Å; I494-R498 PolarHBondContact O-N 2.92Å; V495-R498 PolarHBondContact O-N 2.81Å; R498-V500 PolarHBondContact O-N 3.03Å; R498-K501 WeakPolarHBondContact O-CB 3.39Å; R498-K501 PolarHBondContact O-N 3.34Å; R498-V502 WeakPolarHBondContact O-CG2 3.41Å; R498-V502 PolarHBondContact O-N 2.84Å
499	F	95	Very high	86.9	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-42.8	-178.8	-172	-137.9	0	0	0	112.6	L471 V474 V495 F496 K501 V502 T503 V520 F521 L549	L471-F499 HydrophobicContact CD1-CD2 3.96Å; L471-F499 HydrophobicContact CD1-CE2 3.66Å; V474-F499 HydrophobicContact CG1-CB 3.76Å; V474-F499 HydrophobicContact CG1-CD2 3.95Å; V474-F499 HydrophobicContact CG1-CG 4.13Å; V495-F499 VanDerWaalsContact O-CB 3.29Å; V495-F499 WeakPolarHBondContact O-CB 3.33Å; V495-F499 PolarHBondContact O-N 3.5Å; F496-F499 PolarHBondContact O-N 3.46Å; F499-K501 VanDerWaalsContact C-N 3.29Å; F499-K501 PolarHBondContact O-N 2.87Å; F499-V502 PolarHBondContact O-N 3.42Å; F499-T503 HydrophobicContact CD2-CG2 4.09Å; F499-T503 HydrophobicContact CE1-CG2 4.47Å; F499-T503 HydrophobicContact CE2-CG2 3.75Å; F499-T503 HydrophobicContact CZ-CG2 3.98Å; F499-T503 WeakPolarHBondContact O-CG2 3.3Å; F499-T503 PolarHBondContact O-N 3.25Å; F499-T503 PolarHBondContact O-OG1 3.38Å; F499-V520 HydrophobicContact CD1-CG1 4.26Å; F499-V520 HydrophobicContact CD2-CG1 4.4Å; F499-V520 HydrophobicContact CE1-CG1 4.41Å; F499-V520 HydrophobicContact CG-CG1 4.25Å; F499-V520 HydrophobicContact CZ-CB 4.49Å; F499-F521 HydrophobicContact CD1-CZ 4.43Å; F499-F521 HydrophobicContact CE1-CD2 4.06Å; F499-F521 HydrophobicContact CE1-CE1 4.32Å; F499-F521 AromaticContact CE1-CE2 3.48Å; F499-F521 HydrophobicContact CE1-CE2 3.48Å; F499-F521 VanDerWaalsContact CE1-CE2 3.48Å; F499-F521 AromaticContact CE1-CZ 3.63Å; F499-F521 HydrophobicContact CE1-CZ 3.63Å; F499-F521 HydrophobicContact CZ-CD2 4.4Å; F499-F521 AromaticContact CZ-CE2 4Å; F499-F521 HydrophobicContact CZ-CE2 4Å; F499-L549 HydrophobicContact CZ-CD1 4.39Å
500	V	93.6	Very high	86.7	Confident	17 Å²	17	52.9 Å²	52.9	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-33.8	177.4	76.2	0	0	0	0	112.3	F496 E497 R498 T503 K504 N541 Y544 S545	F496-V500 PolarHBondContact O-N 2.68Å; E497-V500 VanDerWaalsContact O-CG1 3.27Å; E497-V500 WeakPolarHBondContact O-CG1 3.46Å; R498-V500 PolarHBondContact O-N 3.03Å; V500-T503 WeakPolarHBondContact CA-OG1 3.49Å; V500-T503 PolarHBondContact O-OG1 3.46Å; V500-K504 WeakPolarHBondContact O-CB 3.2Å; V500-K504 PolarHBondContact O-N 2.93Å; V500-N541 HydrophobicContact CB-CB 4.04Å; V500-N541 HydrophobicContact CG1-CB 3.97Å; V500-Y544 HydrophobicContact CG2-CD1 3.37Å; V500-Y544 HydrophobicContact CG2-CE1 4.06Å; V500-Y544 HydrophobicContact CG2-CG 3.85Å; V500-S545 WeakPolarHBondContact CA-OG 3.47Å
501	K	91.9	Very high	86.5	Confident	110 Å²	110	53.4 Å²	53.4	48%	0.478	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-48.9	174.7	-72	170.8	-171.6	170.3	0	109.9	E497 R498 F499 K504 T505	E497-K501 WeakPolarHBondContact O-CG 3.2Å; E497-K501 PolarHBondContact O-N 3.08Å; E497-K501 WeakPolarHBondContact OE1-CE 3.31Å; E497-K501 IonicContact OE1-NZ 3.38Å; E497-K501 PolarHBondContact OE1-NZ 2.83Å; R498-K501 WeakPolarHBondContact O-CB 3.39Å; R498-K501 PolarHBondContact O-N 3.34Å; F499-K501 VanDerWaalsContact C-N 3.29Å; F499-K501 PolarHBondContact O-N 2.87Å; K501-K504 PolarHBondContact O-N 3.45Å; K501-T505 WeakPolarHBondContact O-CG2 3.36Å; K501-T505 PolarHBondContact O-N 3.18Å; K501-T505 PolarHBondContact O-OG1 3.12Å
502	V	89.9	Confident	86.3	Confident	9 Å²	9	52.5 Å²	52.5	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-49.6	178.4	175.1	0	0	0	0	111.6	D470 L471 V474 R498 F499 K504 L506 L508	D470-V502 HydrophobicContact CB-CG2 3.74Å; L471-V502 HydrophobicContact CB-CG1 3.93Å; L471-V502 HydrophobicContact CD1-CG1 4.28Å; V474-V502 HydrophobicContact CG2-CG2 4.07Å; R498-V502 WeakPolarHBondContact O-CG2 3.41Å; R498-V502 PolarHBondContact O-N 2.84Å; F499-V502 PolarHBondContact O-N 3.42Å; V502-K504 VanDerWaalsContact C-N 3.27Å; V502-K504 PolarHBondContact O-N 3.09Å; V502-L506 HydrophobicContact CG1-CD1 3.86Å; V502-L506 WeakPolarHBondContact O-CB 3.32Å; V502-L506 PolarHBondContact O-N 3.41Å; V502-L506 VanDerWaalsContact O-N 3.09Å; V502-L508 HydrophobicContact CG1-CD2 4.27Å
503	T	86.3	Confident	86.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-28.1	-178.5	58.7	0	0	0	0	112.8	F499 V500 L508 S545 H548	F499-T503 HydrophobicContact CD2-CG2 4.09Å; F499-T503 HydrophobicContact CE1-CG2 4.47Å; F499-T503 HydrophobicContact CE2-CG2 3.75Å; F499-T503 HydrophobicContact CZ-CG2 3.98Å; F499-T503 WeakPolarHBondContact O-CG2 3.3Å; F499-T503 PolarHBondContact O-N 3.25Å; F499-T503 PolarHBondContact O-OG1 3.38Å; V500-T503 WeakPolarHBondContact CA-OG1 3.49Å; V500-T503 PolarHBondContact O-OG1 3.46Å; T503-L508 HydrophobicContact CG2-CD1 3.83Å; T503-S545 PolarHBondContact OG1-OG 3.24Å; T503-H548 PolarHBondContact O-CE1 3.09Å; T503-H548 PolarHBondContact O-ND1 3.48Å; T503-H548 VanDerWaalsContact O-ND1 3.14Å
504	K	83.3	Confident	86	Confident	143 Å²	143	51.9 Å²	51.9	62%	0.622	26%	0.258	S	S	*	.	H	α-helix	trans	-80.6	-39	178.5	-175.1	175	-178.6	-179	0	113.6	V500 K501 V502 Y544	V500-K504 WeakPolarHBondContact O-CB 3.2Å; V500-K504 PolarHBondContact O-N 2.93Å; K501-K504 PolarHBondContact O-N 3.45Å; V502-K504 VanDerWaalsContact C-N 3.27Å; V502-K504 PolarHBondContact O-N 3.09Å; K504-Y544 HydrophobicContact CB-CE1 4.14Å; K504-Y544 HydrophobicContact CG-CE1 4.5Å
505	T	73.7	Confident	85.9	Confident	108 Å²	108	50.8 Å²	50.8	66%	0.663	25%	0.252	S	S	*	.	H	α-helix	trans	-88.9	-32.3	-173.5	54.7	0	0	0	0	113.1	K501	K501-T505 WeakPolarHBondContact O-CG2 3.36Å; K501-T505 PolarHBondContact O-N 3.18Å; K501-T505 PolarHBondContact O-OG1 3.12Å
506	L	64.2	Low	85.8	Confident	44 Å²	44	51.5 Å²	51.5	23%	0.23	26%	0.257	C	S	.	.	S	Bend	trans	-99	125.8	-179.7	-69.6	132.6	0	0	0	109.2	E468 V502 L508	E468-L506 HydrophobicContact CG-CD2 4.17Å; V502-L506 HydrophobicContact CG1-CD1 3.86Å; V502-L506 WeakPolarHBondContact O-CB 3.32Å; V502-L506 PolarHBondContact O-N 3.41Å; V502-L506 VanDerWaalsContact O-N 3.09Å; L506-L508 HydrophobicContact CB-CD2 4.03Å; L506-L508 HydrophobicContact CB-CG 4.22Å; L506-L508 PolarHBondContact O-N 3.18Å; L506-L508 VanDerWaalsContact O-N 3.12Å
507	K	64.6	Low	85.7	Confident	195 Å²	195	51.5 Å²	51.5	85%	0.848	26%	0.257	S	S	*	.			trans	-62.4	115.1	153.9	-61.6	-178.4	-177.8	-179.1	0	103.5	P509	K507-P509 WeakPolarHBondContact O-CD 3.46Å
508	L	69.7	Low	85.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.			trans	-97.3	64.4	-175.9	-72.1	168.3	0	0	0	111.2	E468 L471 V502 T503 L506 N513 L554	E468-L508 HydrophobicContact CG-CD2 4.19Å; L471-L508 HydrophobicContact CD2-CD2 4.24Å; V502-L508 HydrophobicContact CG1-CD2 4.27Å; T503-L508 HydrophobicContact CG2-CD1 3.83Å; L506-L508 HydrophobicContact CB-CD2 4.03Å; L506-L508 HydrophobicContact CB-CG 4.22Å; L506-L508 PolarHBondContact O-N 3.18Å; L506-L508 VanDerWaalsContact O-N 3.12Å; L508-N513 HydrophobicContact CB-CB 4.48Å; L508-N513 HydrophobicContact CD2-CB 4.45Å; L508-L554 VanDerWaalsContact O-CD2 3.27Å; L508-L554 WeakPolarHBondContact O-CD2 3.35Å
509	P	77.4	Confident	85.6	Confident	77 Å²	77	43.8 Å²	43.8	50%	0.5	23%	0.228	S	C	.	.			trans	-73.8	152.7	175.9	34.9	-35.9	0	0	0	110.4	K507 N513	K507-P509 WeakPolarHBondContact O-CD 3.46Å; P509-N513 PolarHBondContact O-ND2 3.42Å
510	G	84.7	Confident	85.6	Confident	32 Å²	32	43.8 Å²	43.8	33%	0.33	23%	0.228	S	C	.	.	S	Bend	trans	106.1	139.2	171.6	0	0	0	0	0	113.6	A512 N513 I514 S557	G510-A512 VanDerWaalsContact C-N 3.3Å; G510-A512 PolarHBondContact O-N 2.93Å; G510-N513 PolarHBondContact O-N 3.21Å; G510-N513 VanDerWaalsContact O-N 3.17Å; G510-I514 PolarHBondContact O-N 3.04Å; G510-S557 PolarHBondContact N-OG 3.16Å
511	Y	86.8	Confident	85.7	Confident	71 Å²	71	43 Å²	43	28%	0.278	22%	0.223	S	C	.	.	H	α-helix	trans	-54.8	-41.9	-178.4	179.4	-93.3	0	0	0	113.3	N513 I514 N515 S557 K560 M570	Y511-N513 PolarHBondContact O-N 3.35Å; Y511-I514 PolarHBondContact O-N 3.07Å; Y511-N515 HydrophobicContact CE1-CB 4.24Å; Y511-N515 VanDerWaalsContact O-CB 3.29Å; Y511-N515 WeakPolarHBondContact O-CB 3.13Å; Y511-N515 PolarHBondContact O-N 3.41Å; Y511-S557 VanDerWaalsContact CA-O 3.31Å; Y511-S557 WeakPolarHBondContact CA-O 3.09Å; Y511-K560 HydrophobicContact CD1-CG 4.43Å; Y511-K560 HydrophobicContact CD2-CB 3.99Å; Y511-K560 HydrophobicContact CD2-CG 4.47Å; Y511-K560 HydrophobicContact CE1-CB 4.42Å; Y511-K560 HydrophobicContact CE1-CD 3.85Å; Y511-K560 HydrophobicContact CE1-CG 4.14Å; Y511-K560 HydrophobicContact CE2-CB 3.58Å; Y511-K560 HydrophobicContact CE2-CD 4.42Å; Y511-K560 HydrophobicContact CE2-CG 4.19Å; Y511-M570 HydrophobicContact CD2-CE 3.77Å; Y511-M570 HydrophobicContact CD2-SD 4.42Å; Y511-M570 HydrophobicContact CE2-CE 3.53Å; Y511-M570 HydrophobicContact CE2-SD 3.94Å
512	A	88.6	Confident	85.8	Confident	14 Å²	14	38.6 Å²	38.6	12%	0.116	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-43.8	179.1	0	0	0	0	0	112.4	V467 G510 N515 T516	V467-A512 HydrophobicContact CG2-CB 4.03Å; G510-A512 VanDerWaalsContact C-N 3.3Å; G510-A512 PolarHBondContact O-N 2.93Å; A512-N515 PolarHBondContact O-N 2.91Å; A512-T516 PolarHBondContact O-N 3.23Å; A512-T516 PolarHBondContact O-OG1 3.36Å; A512-T516 VanDerWaalsContact O-OG1 3.05Å
513	N	90.4	Very high	86.1	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-42.8	178.1	-76.7	-38.7	0	0	0	112.2	V467 E468 L471 L508 P509 G510 Y511 S517	V467-N513 WeakPolarHBondContact CA-OD1 3.02Å; E468-N513 PolarHBondContact N-OD1 3.45Å; L471-N513 HydrophobicContact CD2-CB 4.33Å; L471-N513 WeakPolarHBondContact CD2-O 3.41Å; L508-N513 HydrophobicContact CB-CB 4.48Å; L508-N513 HydrophobicContact CD2-CB 4.45Å; P509-N513 PolarHBondContact O-ND2 3.42Å; G510-N513 PolarHBondContact O-N 3.21Å; G510-N513 VanDerWaalsContact O-N 3.17Å; Y511-N513 PolarHBondContact O-N 3.35Å; N513-S517 WeakPolarHBondContact O-CB 3.37Å; N513-S517 PolarHBondContact O-N 3.03Å; N513-S517 PolarHBondContact O-OG 3.11Å
514	I	90.5	Very high	86.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-44.3	176.6	-57.7	-58.9	0	0	0	110.4	G510 Y511 T516 S517 V518 L549 L554 W558 M570	G510-I514 PolarHBondContact O-N 3.04Å; Y511-I514 PolarHBondContact O-N 3.07Å; I514-T516 PolarHBondContact O-N 3.25Å; I514-S517 WeakPolarHBondContact O-CB 3.47Å; I514-S517 PolarHBondContact O-N 3.49Å; I514-S517 VanDerWaalsContact O-N 3.1Å; I514-V518 HydrophobicContact CG2-CG2 4.38Å; I514-V518 WeakPolarHBondContact O-CG2 3.22Å; I514-V518 PolarHBondContact O-N 3.09Å; I514-L549 HydrophobicContact CD1-CD2 3.87Å; I514-L554 HydrophobicContact CD1-CD1 4.08Å; I514-W558 HydrophobicContact CG2-CD2 3.75Å; I514-W558 HydrophobicContact CG2-CE3 3.98Å; I514-W558 HydrophobicContact CG2-CG 4.33Å; I514-W558 HydrophobicContact CG2-CH2 4.06Å; I514-W558 HydrophobicContact CG2-CZ2 3.87Å; I514-W558 HydrophobicContact CG2-CZ3 4.11Å; I514-M570 HydrophobicContact CB-CE 4.18Å; I514-M570 HydrophobicContact CB-SD 4.23Å; I514-M570 HydrophobicContact CG2-CE 3.68Å; I514-M570 HydrophobicContact CG2-SD 3.8Å
515	N	91.4	Very high	87	Confident	45 Å²	45	33.9 Å²	33.9	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-41.7	177.7	-174.5	46.6	0	0	0	111.9	Y511 A512 V518 T519 M570 R573	Y511-N515 HydrophobicContact CE1-CB 4.24Å; Y511-N515 VanDerWaalsContact O-CB 3.29Å; Y511-N515 WeakPolarHBondContact O-CB 3.13Å; Y511-N515 PolarHBondContact O-N 3.41Å; A512-N515 PolarHBondContact O-N 2.91Å; N515-V518 PolarHBondContact O-N 2.85Å; N515-T519 WeakPolarHBondContact O-CB 3.42Å; N515-T519 PolarHBondContact O-N 3.31Å; N515-T519 PolarHBondContact O-OG1 3.01Å; N515-M570 WeakPolarHBondContact CA-SD 3.26Å; N515-M570 HydrophobicContact CB-SD 3.65Å; N515-M570 PolarHBondContact N-SD 3.1Å; N515-M570 VanDerWaalsContact N-SD 3.42Å; N515-R573 PolarHBondContact OD1-NH2 3.16Å
516	T	92.4	Very high	87.9	Confident	17 Å²	17	35 Å²	35	10%	0.104	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-41.9	172.8	-59.5	0	0	0	0	111.5	V467 L471 L475 A512 I514 V518 T519 V520	V467-T516 HydrophobicContact CG1-CG2 3.95Å; V467-T516 WeakPolarHBondContact CG2-OG1 3.02Å; L471-T516 HydrophobicContact CD1-CG2 4.42Å; L471-T516 HydrophobicContact CD2-CG2 4.14Å; L471-T516 HydrophobicContact CG-CG2 3.81Å; L475-T516 HydrophobicContact CB-CG2 4.24Å; L475-T516 HydrophobicContact CD2-CG2 3.95Å; A512-T516 PolarHBondContact O-N 3.23Å; A512-T516 PolarHBondContact O-OG1 3.36Å; A512-T516 VanDerWaalsContact O-OG1 3.05Å; I514-T516 PolarHBondContact O-N 3.25Å; T516-V518 PolarHBondContact O-N 3.49Å; T516-T519 CarbonylContact O-C 3.52Å; T516-T519 WeakPolarHBondContact O-CA 3.29Å; T516-T519 WeakPolarHBondContact O-CB 3.41Å; T516-T519 PolarHBondContact O-N 2.98Å; T516-V520 WeakPolarHBondContact O-CG2 3.44Å; T516-V520 PolarHBondContact O-N 2.88Å
517	S	94.1	Very high	89.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-42.4	176.9	-61.2	0	0	0	0	112.2	N513 I514 T519 V520 F521	N513-S517 WeakPolarHBondContact O-CB 3.37Å; N513-S517 PolarHBondContact O-N 3.03Å; N513-S517 PolarHBondContact O-OG 3.11Å; I514-S517 WeakPolarHBondContact O-CB 3.47Å; I514-S517 PolarHBondContact O-N 3.49Å; I514-S517 VanDerWaalsContact O-N 3.1Å; S517-T519 VanDerWaalsContact C-N 3.31Å; S517-V520 PolarHBondContact O-N 3.25Å; S517-F521 WeakPolarHBondContact O-CD2 3.43Å; S517-F521 PolarHBondContact O-N 3.05Å
518	V	93.8	Very high	90.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-37.9	172.1	174.7	0	0	0	0	110.8	I514 N515 T516 V520 F521 T522 W558 M570 R573 F574	I514-V518 HydrophobicContact CG2-CG2 4.38Å; I514-V518 WeakPolarHBondContact O-CG2 3.22Å; I514-V518 PolarHBondContact O-N 3.09Å; N515-V518 PolarHBondContact O-N 2.85Å; T516-V518 PolarHBondContact O-N 3.49Å; V518-V520 VanDerWaalsContact C-N 3.33Å; V518-V520 PolarHBondContact O-N 3.48Å; V518-F521 WeakPolarHBondContact O-CB 3.47Å; V518-F521 PolarHBondContact O-N 2.78Å; V518-F521 VanDerWaalsContact O-N 3.13Å; V518-T522 HydrophobicContact CG1-CG2 4.31Å; V518-T522 WeakPolarHBondContact O-CG2 3.34Å; V518-T522 PolarHBondContact O-N 2.99Å; V518-W558 HydrophobicContact CG2-CH2 3.87Å; V518-W558 HydrophobicContact CG2-CZ3 3.97Å; V518-M570 HydrophobicContact CB-CG 4.21Å; V518-M570 HydrophobicContact CG1-CG 4.37Å; V518-M570 HydrophobicContact CG2-CG 3.82Å; V518-M570 HydrophobicContact CG2-SD 4.48Å; V518-R573 HydrophobicContact CG1-CB 3.9Å; V518-F574 HydrophobicContact CG1-CB 4.02Å; V518-F574 HydrophobicContact CG2-CB 3.85Å; V518-F574 HydrophobicContact CG2-CD2 4.11Å; V518-F574 HydrophobicContact CG2-CG 4.35Å
519	T	94.7	Very high	90.9	Very high	34 Å²	34	32.3 Å²	32.3	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-37	177.1	-54	0	0	0	0	111.9	L475 N515 T516 S517 F521 T522 T523	L475-T519 HydrophobicContact CD1-CG2 3.87Å; L475-T519 HydrophobicContact CD2-CG2 4.2Å; N515-T519 WeakPolarHBondContact O-CB 3.42Å; N515-T519 PolarHBondContact O-N 3.31Å; N515-T519 PolarHBondContact O-OG1 3.01Å; T516-T519 CarbonylContact O-C 3.52Å; T516-T519 WeakPolarHBondContact O-CA 3.29Å; T516-T519 WeakPolarHBondContact O-CB 3.41Å; T516-T519 PolarHBondContact O-N 2.98Å; S517-T519 VanDerWaalsContact C-N 3.31Å; T519-F521 VanDerWaalsContact C-N 3.31Å; T519-F521 PolarHBondContact O-N 3.44Å; T519-T522 VanDerWaalsContact CA-OG1 3.27Å; T519-T522 WeakPolarHBondContact CA-OG1 3.47Å; T519-T522 PolarHBondContact O-N 3.41Å; T519-T522 PolarHBondContact O-OG1 2.86Å; T519-T523 WeakPolarHBondContact O-CB 3.43Å; T519-T523 PolarHBondContact O-N 3.31Å; T519-T523 PolarHBondContact O-OG1 3Å
520	V	96.1	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-46	172.3	172.8	0	0	0	0	110.4	V474 L475 V495 F499 T516 S517 V518 M524	V474-V520 HydrophobicContact CG1-CG1 3.99Å; V474-V520 HydrophobicContact CG1-CG2 4.03Å; L475-V520 HydrophobicContact CB-CG2 3.94Å; L475-V520 HydrophobicContact CD1-CG2 4.08Å; V495-V520 HydrophobicContact CG1-CG1 4.27Å; F499-V520 HydrophobicContact CD1-CG1 4.26Å; F499-V520 HydrophobicContact CD2-CG1 4.4Å; F499-V520 HydrophobicContact CE1-CG1 4.41Å; F499-V520 HydrophobicContact CG-CG1 4.25Å; F499-V520 HydrophobicContact CZ-CB 4.49Å; T516-V520 WeakPolarHBondContact O-CG2 3.44Å; T516-V520 PolarHBondContact O-N 2.88Å; S517-V520 PolarHBondContact O-N 3.25Å; V518-V520 VanDerWaalsContact C-N 3.33Å; V518-V520 PolarHBondContact O-N 3.48Å; V520-M524 WeakPolarHBondContact O-CB 3.38Å; V520-M524 WeakPolarHBondContact O-CG 3.36Å; V520-M524 PolarHBondContact O-N 3.2Å
521	F	95.6	Very high	90.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-44.3	176.4	-78.8	-64.5	0	0	0	112.9	F496 F499 S517 V518 T519 M524 N525 Y542 S546 L549 F574 V578 L581	F496-F521 HydrophobicContact CE1-CE1 4.49Å; F499-F521 HydrophobicContact CD1-CZ 4.43Å; F499-F521 HydrophobicContact CE1-CD2 4.06Å; F499-F521 HydrophobicContact CE1-CE1 4.32Å; F499-F521 AromaticContact CE1-CE2 3.48Å; F499-F521 HydrophobicContact CE1-CE2 3.48Å; F499-F521 VanDerWaalsContact CE1-CE2 3.48Å; F499-F521 AromaticContact CE1-CZ 3.63Å; F499-F521 HydrophobicContact CE1-CZ 3.63Å; F499-F521 HydrophobicContact CZ-CD2 4.4Å; F499-F521 AromaticContact CZ-CE2 4Å; F499-F521 HydrophobicContact CZ-CE2 4Å; S517-F521 WeakPolarHBondContact O-CD2 3.43Å; S517-F521 PolarHBondContact O-N 3.05Å; V518-F521 WeakPolarHBondContact O-CB 3.47Å; V518-F521 PolarHBondContact O-N 2.78Å; V518-F521 VanDerWaalsContact O-N 3.13Å; T519-F521 VanDerWaalsContact C-N 3.31Å; T519-F521 PolarHBondContact O-N 3.44Å; F521-M524 PolarHBondContact O-N 2.8Å; F521-N525 VanDerWaalsContact O-CB 3.26Å; F521-N525 WeakPolarHBondContact O-CB 3.2Å; F521-N525 PolarHBondContact O-N 3.43Å; F521-Y542 HydrophobicContact CE1-CD2 4.35Å; F521-S546 WeakPolarHBondContact CZ-OG 3.35Å; F521-L549 HydrophobicContact CD2-CD1 4.28Å; F521-L549 HydrophobicContact CE2-CD1 3.7Å; F521-F574 HydrophobicContact CD2-CD2 4.1Å; F521-F574 HydrophobicContact CD2-CE2 4.04Å; F521-F574 HydrophobicContact CE2-CD2 4.37Å; F521-F574 AromaticContact CE2-CE2 3.85Å; F521-F574 HydrophobicContact CE2-CE2 3.85Å; F521-V578 HydrophobicContact CD1-CG2 4.44Å; F521-V578 HydrophobicContact CE1-CG2 4.44Å; F521-L581 HydrophobicContact CD1-CD1 3.62Å; F521-L581 HydrophobicContact CE1-CD1 4.22Å
522	T	94.7	Very high	90.7	Very high	19 Å²	19	37.2 Å²	37.2	12%	0.117	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-44.1	179.1	56.7	0	0	0	0	110.9	V518 T519 N525 E526 R573 S577	V518-T522 HydrophobicContact CG1-CG2 4.31Å; V518-T522 WeakPolarHBondContact O-CG2 3.34Å; V518-T522 PolarHBondContact O-N 2.99Å; T519-T522 VanDerWaalsContact CA-OG1 3.27Å; T519-T522 WeakPolarHBondContact CA-OG1 3.47Å; T519-T522 PolarHBondContact O-N 3.41Å; T519-T522 PolarHBondContact O-OG1 2.86Å; T522-N525 PolarHBondContact O-N 3.13Å; T522-E526 WeakPolarHBondContact O-CG 3.26Å; T522-E526 PolarHBondContact O-N 2.97Å; T522-R573 HydrophobicContact CG2-CB 4.04Å; T522-S577 WeakPolarHBondContact CA-OG 3.43Å; T522-S577 WeakPolarHBondContact CG2-OG 3.27Å
523	T	95.2	Very high	90.6	Very high	21 Å²	21	36.7 Å²	36.7	13%	0.129	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-48.7	176.9	-63	0	0	0	0	110.6	A478 T519 N525 E526 K527	A478-T523 HydrophobicContact CB-CG2 4.15Å; T519-T523 WeakPolarHBondContact O-CB 3.43Å; T519-T523 PolarHBondContact O-N 3.31Å; T519-T523 PolarHBondContact O-OG1 3Å; T523-N525 VanDerWaalsContact C-N 3.32Å; T523-N525 PolarHBondContact O-N 2.76Å; T523-E526 PolarHBondContact O-N 3.13Å; T523-K527 HydrophobicContact CG2-CG 4.18Å; T523-K527 VanDerWaalsContact O-CG 3.27Å; T523-K527 WeakPolarHBondContact O-CG 3.49Å; T523-K527 PolarHBondContact O-N 3.39Å
524	M	94.9	Very high	90.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-37.9	178.9	-71	-51.8	-56.3	0	0	112.8	A478 A492 V495 F496 V520 F521 K527 L528	A478-M524 HydrophobicContact CB-CG 4.2Å; A478-M524 HydrophobicContact CB-SD 3.78Å; A492-M524 HydrophobicContact CB-CE 3.37Å; V495-M524 HydrophobicContact CB-SD 4.14Å; V495-M524 HydrophobicContact CG1-CG 3.97Å; V495-M524 HydrophobicContact CG1-SD 3.81Å; V495-M524 HydrophobicContact CG2-SD 4.12Å; F496-M524 HydrophobicContact CE1-CB 4.18Å; F496-M524 HydrophobicContact CE1-CG 4.06Å; F496-M524 HydrophobicContact CE2-CE 4.39Å; F496-M524 HydrophobicContact CZ-CB 3.86Å; F496-M524 HydrophobicContact CZ-CE 4.39Å; F496-M524 HydrophobicContact CZ-CG 4.02Å; V520-M524 WeakPolarHBondContact O-CB 3.38Å; V520-M524 WeakPolarHBondContact O-CG 3.36Å; V520-M524 PolarHBondContact O-N 3.2Å; F521-M524 PolarHBondContact O-N 2.8Å; M524-K527 PolarHBondContact O-N 3.46Å; M524-L528 HydrophobicContact CE-CD1 3.87Å; M524-L528 HydrophobicContact CE-CG 4.13Å; M524-L528 VanDerWaalsContact O-CB 3.29Å; M524-L528 WeakPolarHBondContact O-CB 3.47Å; M524-L528 WeakPolarHBondContact O-CG 3.33Å; M524-L528 PolarHBondContact O-N 2.63Å
525	N	93.2	Very high	90.5	Very high	31 Å²	31	43.1 Å²	43.1	17%	0.166	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-44.9	173.6	176.1	47.8	0	0	0	111.9	F521 T522 T523 N580 L581	F521-N525 VanDerWaalsContact O-CB 3.26Å; F521-N525 WeakPolarHBondContact O-CB 3.2Å; F521-N525 PolarHBondContact O-N 3.43Å; T522-N525 PolarHBondContact O-N 3.13Å; T523-N525 VanDerWaalsContact C-N 3.32Å; T523-N525 PolarHBondContact O-N 2.76Å; N525-N580 PolarHBondContact ND2-ND2 2.72Å; N525-N580 WeakPolarHBondContact OD1-CB 3.25Å; N525-L581 HydrophobicContact CB-CG 4.44Å
526	E	92.6	Very high	90.4	Very high	133 Å²	133	46 Å²	46	62%	0.621	25%	0.249	S	C	*	.	H	α-helix	trans	-65.8	-41.4	176.7	-72.7	170.8	-174.5	0	0	112.6	T522 T523 N529	T522-E526 WeakPolarHBondContact O-CG 3.26Å; T522-E526 PolarHBondContact O-N 2.97Å; T523-E526 PolarHBondContact O-N 3.13Å; E526-N529 WeakPolarHBondContact O-CB 3.39Å
527	K	90.9	Very high	90.4	Very high	61 Å²	61	48.4 Å²	48.4	27%	0.265	27%	0.266	S	S	.	.	H	α-helix	trans	-72.2	-38.6	-177.8	-66.1	-46.1	-168.5	153.4	0	113.1	D482 T523 M524 N529	D482-K527 HydrophobicContact CB-CD 4.22Å; D482-K527 VanDerWaalsContact OD1-CE 3.31Å; D482-K527 WeakPolarHBondContact OD1-CE 3.3Å; D482-K527 IonicContact OD1-NZ 3.9Å; D482-K527 PolarHBondContact OD1-NZ 2.86Å; D482-K527 WeakPolarHBondContact OD2-CD 3.22Å; D482-K527 IonicContact OD2-NZ 2.8Å; D482-K527 PolarHBondContact OD2-NZ 3.3Å; T523-K527 HydrophobicContact CG2-CG 4.18Å; T523-K527 VanDerWaalsContact O-CG 3.27Å; T523-K527 WeakPolarHBondContact O-CG 3.49Å; T523-K527 PolarHBondContact O-N 3.39Å; M524-K527 PolarHBondContact O-N 3.46Å; K527-N529 PolarHBondContact O-N 3.03Å
528	L	90.2	Very high	90.4	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.6	-179.6	-72.7	167.4	0	0	0	113.5	L488 A492 F496 M524 L530 T531 I533 L581 I584	L488-L528 HydrophobicContact CD1-CD2 4.43Å; L488-L528 HydrophobicContact CD2-CD2 4.15Å; L488-L528 HydrophobicContact CG-CD2 3.94Å; A492-L528 HydrophobicContact CB-CD1 4.12Å; A492-L528 HydrophobicContact CB-CD2 3.97Å; A492-L528 HydrophobicContact CB-CG 4.42Å; F496-L528 HydrophobicContact CE2-CD1 4.34Å; M524-L528 HydrophobicContact CE-CD1 3.87Å; M524-L528 HydrophobicContact CE-CG 4.13Å; M524-L528 VanDerWaalsContact O-CB 3.29Å; M524-L528 WeakPolarHBondContact O-CB 3.47Å; M524-L528 WeakPolarHBondContact O-CG 3.33Å; M524-L528 PolarHBondContact O-N 2.63Å; L528-L530 PolarHBondContact O-N 3.33Å; L528-T531 HydrophobicContact CD2-CG2 4.47Å; L528-T531 WeakPolarHBondContact O-CA 3.39Å; L528-T531 VanDerWaalsContact O-CB 3.26Å; L528-T531 WeakPolarHBondContact O-CB 3.39Å; L528-T531 PolarHBondContact O-N 3.49Å; L528-T531 PolarHBondContact O-OG1 2.95Å; L528-I533 HydrophobicContact CD1-CD1 3.83Å; L528-I533 HydrophobicContact CD1-CG1 4.18Å; L528-L581 HydrophobicContact CD1-CD2 3.94Å; L528-I584 HydrophobicContact CB-CD1 3.76Å
529	N	80.2	Confident	90.3	Very high	119 Å²	119	48.6 Å²	48.6	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.3	108.9	-172.8	-170.1	14.6	0	0	0	113.6	E526 K527 T531	E526-N529 WeakPolarHBondContact O-CB 3.39Å; K527-N529 PolarHBondContact O-N 3.03Å; N529-T531 VanDerWaalsContact C-N 3.32Å; N529-T531 PolarHBondContact O-N 2.9Å
530	L	74.3	Confident	90.2	Very high	153 Å²	153	49.9 Å²	49.9	80%	0.801	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	4.4	-176.9	-52	171.9	0	0	0	117.5	L528	L528-L530 PolarHBondContact O-N 3.33Å
531	T	84.6	Confident	90.1	Very high	53 Å²	53	51.1 Å²	51.1	33%	0.325	28%	0.278	S	S	.	.			trans	-86.8	119.4	173.8	-54.4	0	0	0	0	110.2	L528 N529 I533	L528-T531 HydrophobicContact CD2-CG2 4.47Å; L528-T531 WeakPolarHBondContact O-CA 3.39Å; L528-T531 VanDerWaalsContact O-CB 3.26Å; L528-T531 WeakPolarHBondContact O-CB 3.39Å; L528-T531 PolarHBondContact O-N 3.49Å; L528-T531 PolarHBondContact O-OG1 2.95Å; N529-T531 VanDerWaalsContact C-N 3.32Å; N529-T531 PolarHBondContact O-N 2.9Å; T531-I533 PolarHBondContact O-N 3.33Å
532	T	85.9	Confident	90	Very high	77 Å²	77	51.1 Å²	51.1	47%	0.472	28%	0.278	S	S	.	.			trans	-69.2	128.5	177.2	-53.7	0	0	0	0	111.1	T534 I584 N586	T532-T534 HydrophobicContact CG2-CG2 4.25Å; T532-I584 VanDerWaalsContact CA-O 3.28Å; T532-I584 WeakPolarHBondContact CA-O 3.49Å; T532-I584 WeakPolarHBondContact CG2-O 3.4Å; T532-N586 HydrophobicContact CG2-CB 3.94Å
533	I	87.4	Confident	90	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-85.3	114.5	172.7	-51.1	172.7	0	0	0	107.9	L528 T531 A538 I539 Y542 L581 I584 N586	L528-I533 HydrophobicContact CD1-CD1 3.83Å; L528-I533 HydrophobicContact CD1-CG1 4.18Å; T531-I533 PolarHBondContact O-N 3.33Å; I533-A538 HydrophobicContact CG2-CB 4.22Å; I533-I539 HydrophobicContact CB-CG1 4.45Å; I533-I539 HydrophobicContact CG2-CD1 4.46Å; I533-I539 HydrophobicContact CG2-CG1 3.84Å; I533-Y542 HydrophobicContact CD1-CE1 4.25Å; I533-L581 HydrophobicContact CD1-CD2 4.27Å; I533-I584 HydrophobicContact CD1-CD1 4.33Å; I533-I584 HydrophobicContact CD1-CG1 4.24Å; I533-I584 HydrophobicContact CG1-CD1 4.41Å; I533-I584 HydrophobicContact CG1-CG1 4.3Å; I533-I584 PolarHBondContact N-O 3.05Å; I533-N586 WeakPolarHBondContact O-CB 3.31Å; I533-N586 PolarHBondContact O-N 3.08Å
534	T	88.4	Confident	89.9	Confident	76 Å²	76	52.4 Å²	52.4	47%	0.466	28%	0.279	S	S	.	.			trans	-104.2	-17.3	178.5	71.8	0	0	0	0	113.2	E489 T532 D536	E489-T534 VanDerWaalsContact OE1-CA 3.27Å; E489-T534 WeakPolarHBondContact OE1-CA 3.45Å; E489-T534 WeakPolarHBondContact OE1-CB 3.34Å; E489-T534 PolarHBondContact OE1-N 2.66Å; E489-T534 PolarHBondContact OE1-OG1 2.89Å; T532-T534 HydrophobicContact CG2-CG2 4.25Å; T534-D536 PolarHBondContact O-N 2.9Å
535	N	90.2	Very high	89.9	Confident	62 Å²	62	52.4 Å²	52.4	33%	0.332	28%	0.279	S	S	.	.			trans	-72.4	106.4	177.4	-172.1	-41.2	0	0	0	112.3	E489 S537 A538 I539	E489-N535 PolarHBondContact OE1-N 3.41Å; N535-S537 VanDerWaalsContact C-N 3.29Å; N535-S537 PolarHBondContact O-N 3.42Å; N535-S537 WeakPolarHBondContact OD1-CB 3.5Å; N535-S537 PolarHBondContact OD1-N 3.2Å; N535-A538 HydrophobicContact CB-CB 3.94Å; N535-A538 WeakPolarHBondContact O-CB 3.49Å; N535-A538 PolarHBondContact O-N 2.95Å; N535-A538 VanDerWaalsContact O-N 3.09Å; N535-A538 PolarHBondContact OD1-N 3.06Å; N535-A538 VanDerWaalsContact OD1-N 3.13Å; N535-I539 WeakPolarHBondContact O-CG1 3.26Å; N535-I539 PolarHBondContact O-N 2.82Å
536	D	89.8	Confident	90	Very high	105 Å²	105	51 Å²	51	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-56	-37.8	179.6	-66.9	-31.4	0	0	0	113.7	T534 I539 E540	T534-D536 PolarHBondContact O-N 2.9Å; D536-I539 PolarHBondContact O-N 3.19Å; D536-E540 PolarHBondContact O-N 2.7Å
537	S	91.9	Very high	90	Very high	67 Å²	67	45 Å²	45	47%	0.469	25%	0.245	S	C	.	.	H	α-helix	trans	-66	-40.8	178.3	-178.6	0	0	0	0	111.3	N535 I539 E540 N541	N535-S537 VanDerWaalsContact C-N 3.29Å; N535-S537 PolarHBondContact O-N 3.42Å; N535-S537 WeakPolarHBondContact OD1-CB 3.5Å; N535-S537 PolarHBondContact OD1-N 3.2Å; S537-I539 VanDerWaalsContact C-N 3.3Å; S537-I539 PolarHBondContact O-N 2.92Å; S537-E540 PolarHBondContact O-N 2.8Å; S537-N541 VanDerWaalsContact O-CB 3.3Å; S537-N541 WeakPolarHBondContact O-CB 3.47Å; S537-N541 PolarHBondContact O-N 2.84Å; S537-N541 PolarHBondContact O-ND2 3.27Å; S537-N541 PolarHBondContact OG-ND2 3.39Å
538	A	92.9	Very high	90.1	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-43.3	175.9	0	0	0	0	0	111.2	A493 F496 I533 N535 N541 Y542	A493-A538 HydrophobicContact CB-CB 3.83Å; F496-A538 HydrophobicContact CD2-CB 4.25Å; I533-A538 HydrophobicContact CG2-CB 4.22Å; N535-A538 HydrophobicContact CB-CB 3.94Å; N535-A538 WeakPolarHBondContact O-CB 3.49Å; N535-A538 PolarHBondContact O-N 2.95Å; N535-A538 VanDerWaalsContact O-N 3.09Å; N535-A538 PolarHBondContact OD1-N 3.06Å; N535-A538 VanDerWaalsContact OD1-N 3.13Å; A538-N541 PolarHBondContact O-N 2.81Å; A538-Y542 VanDerWaalsContact O-CD1 3.25Å; A538-Y542 WeakPolarHBondContact O-CD1 3.09Å; A538-Y542 PolarHBondContact O-N 3.49Å; A538-Y542 VanDerWaalsContact O-N 3.16Å
539	I	92.4	Very high	90.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-52.1	177.4	-60.9	171.5	0	0	0	110.8	I533 N535 D536 S537 N541 Y542 L543 L587	I533-I539 HydrophobicContact CB-CG1 4.45Å; I533-I539 HydrophobicContact CG2-CD1 4.46Å; I533-I539 HydrophobicContact CG2-CG1 3.84Å; N535-I539 WeakPolarHBondContact O-CG1 3.26Å; N535-I539 PolarHBondContact O-N 2.82Å; D536-I539 PolarHBondContact O-N 3.19Å; S537-I539 VanDerWaalsContact C-N 3.3Å; S537-I539 PolarHBondContact O-N 2.92Å; I539-N541 VanDerWaalsContact C-N 3.31Å; I539-N541 PolarHBondContact O-N 3.08Å; I539-Y542 VanDerWaalsContact CA-CE1 3.42Å; I539-Y542 HydrophobicContact CB-CE1 4.07Å; I539-Y542 HydrophobicContact CG1-CE1 4.17Å; I539-Y542 HydrophobicContact CG2-CE1 4.1Å; I539-Y542 PolarHBondContact O-N 3.46Å; I539-L543 HydrophobicContact CG2-CD1 3.82Å; I539-L543 HydrophobicContact CG2-CG 4.39Å; I539-L543 WeakPolarHBondContact O-CB 3.3Å; I539-L543 VanDerWaalsContact O-CG 3.27Å; I539-L543 WeakPolarHBondContact O-CG 3.34Å; I539-L543 PolarHBondContact O-N 3.43Å; I539-L587 HydrophobicContact CG2-CD2 3.36Å; I539-L587 HydrophobicContact CG2-CG 4.12Å
540	E	92	Very high	90.7	Very high	60 Å²	60	38.4 Å²	38.4	28%	0.28	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-37	180	-76.4	-60.9	140.4	0	0	112.9	D536 S537 Y544 T591 R593	D536-E540 PolarHBondContact O-N 2.7Å; S537-E540 PolarHBondContact O-N 2.8Å; E540-Y544 VanDerWaalsContact O-CB 3.31Å; E540-Y544 WeakPolarHBondContact O-CB 3.37Å; E540-Y544 PolarHBondContact O-N 3.13Å; E540-T591 WeakPolarHBondContact OE1-CG2 3.06Å; E540-T591 PolarHBondContact OE1-OG1 2.92Å; E540-R593 IonicContact OE2-CZ 3.9Å; E540-R593 IonicContact OE2-NE 2.68Å; E540-R593 IonicContact OE2-NH2 3.94Å; E540-R593 PolarHBondContact OE2-NH2 2.91Å
541	N	94.1	Very high	91.5	Very high	27 Å²	27	33.2 Å²	33.2	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-43.2	-179.8	-72.3	-24.6	0	0	0	112.8	F496 V500 S537 A538 I539 S545	F496-N541 HydrophobicContact CB-CB 4Å; V500-N541 HydrophobicContact CB-CB 4.04Å; V500-N541 HydrophobicContact CG1-CB 3.97Å; S537-N541 VanDerWaalsContact O-CB 3.3Å; S537-N541 WeakPolarHBondContact O-CB 3.47Å; S537-N541 PolarHBondContact O-N 2.84Å; S537-N541 PolarHBondContact O-ND2 3.27Å; S537-N541 PolarHBondContact OG-ND2 3.39Å; A538-N541 PolarHBondContact O-N 2.81Å; I539-N541 VanDerWaalsContact C-N 3.31Å; I539-N541 PolarHBondContact O-N 3.08Å; N541-S545 PolarHBondContact O-N 3.04Å; N541-S545 VanDerWaalsContact O-N 3.12Å; N541-S545 PolarHBondContact O-OG 3.01Å
542	Y	94	Very high	91.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.9	-39.9	178.6	86.8	-116.7	0	0	0	110.9	F496 F521 I533 A538 I539 Y544 S545 S546 L581 I582 S585	F496-Y542 VanDerWaalsContact CD1-CB 3.4Å; F496-Y542 HydrophobicContact CD1-CG 4.49Å; F496-Y542 HydrophobicContact CD2-CD1 4.32Å; F496-Y542 HydrophobicContact CE1-CG 4.35Å; F496-Y542 HydrophobicContact CE2-CD1 4.15Å; F496-Y542 HydrophobicContact CZ-CD1 4.29Å; F496-Y542 HydrophobicContact CZ-CG 4.44Å; F521-Y542 HydrophobicContact CE1-CD2 4.35Å; I533-Y542 HydrophobicContact CD1-CE1 4.25Å; A538-Y542 VanDerWaalsContact O-CD1 3.25Å; A538-Y542 WeakPolarHBondContact O-CD1 3.09Å; A538-Y542 PolarHBondContact O-N 3.49Å; A538-Y542 VanDerWaalsContact O-N 3.16Å; I539-Y542 VanDerWaalsContact CA-CE1 3.42Å; I539-Y542 HydrophobicContact CB-CE1 4.07Å; I539-Y542 HydrophobicContact CG1-CE1 4.17Å; I539-Y542 HydrophobicContact CG2-CE1 4.1Å; I539-Y542 PolarHBondContact O-N 3.46Å; Y542-Y544 VanDerWaalsContact C-N 3.33Å; Y542-Y544 PolarHBondContact O-N 3.07Å; Y542-S545 PolarHBondContact O-N 2.63Å; Y542-S546 PolarHBondContact O-N 3.02Å; Y542-S546 PolarHBondContact O-OG 3.19Å; Y542-L581 HydrophobicContact CE2-CB 4.18Å; Y542-I582 HydrophobicContact CE2-CG1 4.12Å; Y542-S585 WeakPolarHBondContact OH-CB 3.39Å; Y542-S585 PolarHBondContact OH-OG 3.07Å
543	L	94.4	Very high	91.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-39.8	175.9	-71.7	177.3	0	0	0	112.1	I539 S546 S547 I582 L587 T591 L596 V598	I539-L543 HydrophobicContact CG2-CD1 3.82Å; I539-L543 HydrophobicContact CG2-CG 4.39Å; I539-L543 WeakPolarHBondContact O-CB 3.3Å; I539-L543 VanDerWaalsContact O-CG 3.27Å; I539-L543 WeakPolarHBondContact O-CG 3.34Å; I539-L543 PolarHBondContact O-N 3.43Å; L543-S546 PolarHBondContact O-N 3Å; L543-S547 PolarHBondContact O-N 3.05Å; L543-I582 HydrophobicContact CD2-CD1 3.95Å; L543-I582 HydrophobicContact CD2-CG1 3.98Å; L543-L587 HydrophobicContact CD1-CD2 4.41Å; L543-T591 HydrophobicContact CD1-CG2 4.28Å; L543-L596 HydrophobicContact CB-CD2 4.5Å; L543-L596 HydrophobicContact CD2-CD2 3.72Å; L543-V598 HydrophobicContact CD2-CG2 3.92Å
544	Y	93.8	Very high	91.7	Very high	67 Å²	67	38 Å²	38	26%	0.263	21%	0.205	S	C	.	.	H	α-helix	trans	-59.9	-50.4	172.7	-179	-80.2	0	0	0	111.1	V500 K504 E540 Y542 S546 S547 H548	V500-Y544 HydrophobicContact CG2-CD1 3.37Å; V500-Y544 HydrophobicContact CG2-CE1 4.06Å; V500-Y544 HydrophobicContact CG2-CG 3.85Å; K504-Y544 HydrophobicContact CB-CE1 4.14Å; K504-Y544 HydrophobicContact CG-CE1 4.5Å; E540-Y544 VanDerWaalsContact O-CB 3.31Å; E540-Y544 WeakPolarHBondContact O-CB 3.37Å; E540-Y544 PolarHBondContact O-N 3.13Å; Y542-Y544 VanDerWaalsContact C-N 3.33Å; Y542-Y544 PolarHBondContact O-N 3.07Å; Y544-S546 VanDerWaalsContact C-N 3.32Å; Y544-S546 PolarHBondContact O-N 3.23Å; Y544-S547 PolarHBondContact O-N 3.01Å; Y544-H548 HydrophobicContact CE1-CB 4.39Å; Y544-H548 PolarHBondContact O-N 3.01Å
545	S	94.4	Very high	91.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-42.1	-179.1	-59.6	0	0	0	0	111	V500 T503 N541 Y542 S547 H548 L549	V500-S545 WeakPolarHBondContact CA-OG 3.47Å; T503-S545 PolarHBondContact OG1-OG 3.24Å; N541-S545 PolarHBondContact O-N 3.04Å; N541-S545 VanDerWaalsContact O-N 3.12Å; N541-S545 PolarHBondContact O-OG 3.01Å; Y542-S545 PolarHBondContact O-N 2.63Å; S545-S547 PolarHBondContact O-N 3.26Å; S545-H548 PolarHBondContact O-N 2.98Å; S545-L549 WeakPolarHBondContact O-CG 3.43Å; S545-L549 PolarHBondContact O-N 3.43Å
546	S	94.6	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-46	173.9	-60.1	0	0	0	0	112.4	F521 Y542 L543 Y544 H548 V578	F521-S546 WeakPolarHBondContact CZ-OG 3.35Å; Y542-S546 PolarHBondContact O-N 3.02Å; Y542-S546 PolarHBondContact O-OG 3.19Å; L543-S546 PolarHBondContact O-N 3Å; Y544-S546 VanDerWaalsContact C-N 3.32Å; Y544-S546 PolarHBondContact O-N 3.23Å; S546-H548 VanDerWaalsContact C-N 3.33Å; S546-H548 PolarHBondContact O-N 3.08Å; S546-V578 WeakPolarHBondContact OG-CG2 3.25Å
547	S	94.3	Very high	91.1	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.063	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-34.3	176.9	-176.5	0	0	0	0	112.8	L543 Y544 S545 R593 N595	L543-S547 PolarHBondContact O-N 3.05Å; Y544-S547 PolarHBondContact O-N 3.01Å; S545-S547 PolarHBondContact O-N 3.26Å; S547-R593 WeakPolarHBondContact OG-CB 3.24Å; S547-N595 WeakPolarHBondContact O-CB 3.3Å; S547-N595 PolarHBondContact O-ND2 2.98Å; S547-N595 VanDerWaalsContact O-ND2 3.08Å; S547-N595 PolarHBondContact OG-N 2.91Å; S547-N595 VanDerWaalsContact OG-N 3.09Å
548	H	92	Very high	90.8	Very high	43 Å²	43	34 Å²	34	20%	0.199	17%	0.174	C	C	.	.	H	α-helix	trans	-72.9	-37.7	-178.6	-170.8	-95.8	0	0	0	112.1	T503 Y544 S545 S546 L550 N551	T503-H548 PolarHBondContact O-CE1 3.09Å; T503-H548 PolarHBondContact O-ND1 3.48Å; T503-H548 VanDerWaalsContact O-ND1 3.14Å; Y544-H548 HydrophobicContact CE1-CB 4.39Å; Y544-H548 PolarHBondContact O-N 3.01Å; S545-H548 PolarHBondContact O-N 2.98Å; S546-H548 VanDerWaalsContact C-N 3.33Å; S546-H548 PolarHBondContact O-N 3.08Å; H548-L550 PolarHBondContact O-N 3.49Å; H548-N551 WeakPolarHBondContact O-CB 3.27Å; H548-N551 PolarHBondContact O-N 3.02Å; H548-N551 VanDerWaalsContact O-N 3.09Å
549	L	91.8	Very high	89.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-24.8	177.3	-68.9	174.6	0	0	0	113.3	F499 I514 F521 S545 N551 W558 F574	F499-L549 HydrophobicContact CZ-CD1 4.39Å; I514-L549 HydrophobicContact CD1-CD2 3.87Å; F521-L549 HydrophobicContact CD2-CD1 4.28Å; F521-L549 HydrophobicContact CE2-CD1 3.7Å; S545-L549 WeakPolarHBondContact O-CG 3.43Å; S545-L549 PolarHBondContact O-N 3.43Å; L549-N551 VanDerWaalsContact C-N 3.29Å; L549-N551 PolarHBondContact O-N 3.35Å; L549-W558 HydrophobicContact CB-CZ2 4.03Å; L549-W558 PolarHBondContact O-NE1 2.95Å; L549-F574 HydrophobicContact CD1-CD2 4.48Å; L549-F574 HydrophobicContact CD1-CE2 3.97Å
550	L	92.1	Very high	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	8	176.1	-65	177.9	0	0	0	114	H548 W558 F574 N595 F628 L631 Y634	H548-L550 PolarHBondContact O-N 3.49Å; L550-W558 HydrophobicContact CD2-CZ2 4.17Å; L550-F574 HydrophobicContact CD1-CE1 4.03Å; L550-F574 HydrophobicContact CD1-CZ 4.46Å; L550-F574 HydrophobicContact CD2-CD1 4.47Å; L550-F574 HydrophobicContact CD2-CE1 3.87Å; L550-F574 HydrophobicContact CG-CE1 3.97Å; L550-F574 HydrophobicContact CG-CZ 4.24Å; L550-N595 HydrophobicContact CB-CB 3.75Å; L550-F628 HydrophobicContact CD1-CB 4.22Å; L550-F628 HydrophobicContact CD1-CD1 3.96Å; L550-L631 HydrophobicContact CD2-CB 4.14Å; L550-L631 HydrophobicContact CD2-CD1 4.06Å; L550-Y634 HydrophobicContact CD2-CD2 4.22Å; L550-Y634 HydrophobicContact CD2-CE2 4.01Å
551	N	90.6	Very high	86.6	Confident	44 Å²	44	48.5 Å²	48.5	24%	0.235	25%	0.252	C	S	.	.			trans	-64.5	141.8	179.1	-163.9	-8.3	0	0	0	111.3	H548 L549 S553 L554	H548-N551 WeakPolarHBondContact O-CB 3.27Å; H548-N551 PolarHBondContact O-N 3.02Å; H548-N551 VanDerWaalsContact O-N 3.09Å; L549-N551 VanDerWaalsContact C-N 3.29Å; L549-N551 PolarHBondContact O-N 3.35Å; N551-S553 PolarHBondContact O-N 2.94Å; N551-S553 VanDerWaalsContact O-N 3.13Å; N551-L554 PolarHBondContact O-N 3.4Å
552	K	86.7	Confident	84.4	Confident	133 Å²	133	50.8 Å²	50.8	58%	0.578	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58.6	-28.3	-178.8	-169.8	178.9	178.9	-177.6	0	112.9	L554 E555	K552-L554 PolarHBondContact O-N 2.96Å; K552-L554 VanDerWaalsContact O-N 3.17Å; K552-E555 WeakPolarHBondContact O-CB 3.25Å; K552-E555 PolarHBondContact O-N 3.43Å
553	S	87.6	Confident	82.1	Confident	93 Å²	93	57.4 Å²	57.4	65%	0.65	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-64.8	-14.7	175.7	62	0	0	0	0	114.3	N551	N551-S553 PolarHBondContact O-N 2.94Å; N551-S553 VanDerWaalsContact O-N 3.13Å
554	L	87.6	Confident	79.6	Confident	6 Å²	6	62.6 Å²	62.6	3%	0.031	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-105.2	5.7	-179.1	-60.9	175.2	0	0	0	112.5	L508 I514 N551 K552 D556 S557 W558	L508-L554 VanDerWaalsContact O-CD2 3.27Å; L508-L554 WeakPolarHBondContact O-CD2 3.35Å; I514-L554 HydrophobicContact CD1-CD1 4.08Å; N551-L554 PolarHBondContact O-N 3.4Å; K552-L554 PolarHBondContact O-N 2.96Å; K552-L554 VanDerWaalsContact O-N 3.17Å; L554-D556 VanDerWaalsContact C-N 3.35Å; L554-D556 PolarHBondContact O-N 3.17Å; L554-S557 WeakPolarHBondContact O-CA 3.4Å; L554-S557 VanDerWaalsContact O-CB 3.31Å; L554-S557 WeakPolarHBondContact O-CB 3.45Å; L554-S557 PolarHBondContact O-N 3.09Å; L554-W558 VanDerWaalsContact O-CD1 3.3Å
555	E	85.9	Confident	77.5	Confident	57 Å²	57	66.5 Å²	66.5	27%	0.266	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-51.8	-49.6	-175.5	-174.7	165.7	-176.8	0	0	112	K552 S557 W558 K633 Y634	K552-E555 WeakPolarHBondContact O-CB 3.25Å; K552-E555 PolarHBondContact O-N 3.43Å; E555-S557 PolarHBondContact O-N 3.13Å; E555-S557 VanDerWaalsContact O-N 3.16Å; E555-W558 PolarHBondContact O-N 3.05Å; E555-K633 VanDerWaalsContact CD-NZ 3.27Å; E555-K633 VanDerWaalsContact OE1-CD 3.29Å; E555-K633 WeakPolarHBondContact OE1-CD 3.48Å; E555-K633 IonicContact OE1-NZ 2.79Å; E555-K633 PolarHBondContact OE1-NZ 3.44Å; E555-K633 IonicContact OE2-NZ 3.23Å; E555-K633 PolarHBondContact OE2-NZ 3.32Å; E555-K633 VanDerWaalsContact OE2-NZ 3.07Å; E555-Y634 WeakPolarHBondContact CA-OH 3.36Å; E555-Y634 HydrophobicContact CB-CE1 4.36Å; E555-Y634 HydrophobicContact CG-CE1 4.01Å
556	D	83.1	Confident	75.2	Confident	145 Å²	145	71.8 Å²	71.8	78%	0.775	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-67.2	-16.3	178.9	-56.7	-29.9	0	0	0	113.7	L554	L554-D556 VanDerWaalsContact C-N 3.35Å; L554-D556 PolarHBondContact O-N 3.17Å
557	S	87.3	Confident	73.6	Confident	12 Å²	12	76.1 Å²	76.1	8%	0.084	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-86.1	-11.3	179.8	-55.3	0	0	0	0	113	G510 Y511 L554 E555	G510-S557 PolarHBondContact N-OG 3.16Å; Y511-S557 VanDerWaalsContact CA-O 3.31Å; Y511-S557 WeakPolarHBondContact CA-O 3.09Å; L554-S557 WeakPolarHBondContact O-CA 3.4Å; L554-S557 VanDerWaalsContact O-CB 3.31Å; L554-S557 WeakPolarHBondContact O-CB 3.45Å; L554-S557 PolarHBondContact O-N 3.09Å; E555-S557 PolarHBondContact O-N 3.13Å; E555-S557 VanDerWaalsContact O-N 3.16Å
558	W	84.4	Confident	72.4	Confident	12 Å²	12	79.3 Å²	79.3	5%	0.045	44%	0.444	C	S	.	.	S	Bend	trans	-86.3	-21.4	179.6	-80.4	92.1	0	0	0	113.9	I514 V518 L549 L550 L554 E555 M570 A571 F574 Y634	I514-W558 HydrophobicContact CG2-CD2 3.75Å; I514-W558 HydrophobicContact CG2-CE3 3.98Å; I514-W558 HydrophobicContact CG2-CG 4.33Å; I514-W558 HydrophobicContact CG2-CH2 4.06Å; I514-W558 HydrophobicContact CG2-CZ2 3.87Å; I514-W558 HydrophobicContact CG2-CZ3 4.11Å; V518-W558 HydrophobicContact CG2-CH2 3.87Å; V518-W558 HydrophobicContact CG2-CZ3 3.97Å; L549-W558 HydrophobicContact CB-CZ2 4.03Å; L549-W558 PolarHBondContact O-NE1 2.95Å; L550-W558 HydrophobicContact CD2-CZ2 4.17Å; L554-W558 VanDerWaalsContact O-CD1 3.3Å; E555-W558 PolarHBondContact O-N 3.05Å; W558-M570 HydrophobicContact CB-CE 4.31Å; W558-M570 HydrophobicContact CD2-CE 4.22Å; W558-M570 HydrophobicContact CE3-CE 3.72Å; W558-M570 HydrophobicContact CE3-CG 4.19Å; W558-M570 HydrophobicContact CG-CE 4.49Å; W558-M570 HydrophobicContact CZ3-CE 4.41Å; W558-M570 HydrophobicContact CZ3-CG 4.02Å; W558-M570 WeakPolarHBondContact O-CE 3.45Å; W558-A571 HydrophobicContact CE3-CB 4.45Å; W558-A571 HydrophobicContact CZ3-CB 4.49Å; W558-F574 HydrophobicContact CH2-CB 3.86Å; W558-F574 AromaticContact CH2-CD1 3.89Å; W558-F574 HydrophobicContact CH2-CD1 3.89Å; W558-F574 HydrophobicContact CH2-CD2 4.02Å; W558-F574 HydrophobicContact CH2-CE1 4.45Å; W558-F574 AromaticContact CH2-CG 3.64Å; W558-F574 HydrophobicContact CH2-CG 3.64Å; W558-F574 HydrophobicContact CZ3-CB 4.02Å; W558-F574 HydrophobicContact CZ3-CG 4.29Å; W558-Y634 HydrophobicContact CB-CD1 3.49Å; W558-Y634 VanDerWaalsContact CB-CD1 3.49Å; W558-Y634 HydrophobicContact CB-CD2 4.29Å; W558-Y634 HydrophobicContact CB-CE1 3.75Å; W558-Y634 HydrophobicContact CB-CG 3.8Å; W558-Y634 AromaticContact CD1-CE1 3.87Å; W558-Y634 AromaticContact CD1-CE2 3.64Å; W558-Y634 AromaticContact CD1-CZ 3.54Å; W558-Y634 AromaticContact CD2-CD2 3.84Å; W558-Y634 HydrophobicContact CD2-CD2 3.84Å; W558-Y634 HydrophobicContact CD2-CE2 4.13Å; W558-Y634 HydrophobicContact CD2-CG 4.13Å; W558-Y634 HydrophobicContact CE3-CD2 4.3Å; W558-Y634 HydrophobicContact CE3-CG 4.45Å; W558-Y634 AromaticContact CG-CD1 3.88Å; W558-Y634 HydrophobicContact CG-CD1 3.88Å; W558-Y634 AromaticContact CG-CD2 3.82Å; W558-Y634 HydrophobicContact CG-CD2 3.82Å; W558-Y634 AromaticContact CG-CE1 3.9Å; W558-Y634 HydrophobicContact CG-CE1 3.9Å; W558-Y634 AromaticContact CG-CE2 3.87Å; W558-Y634 HydrophobicContact CG-CE2 3.87Å; W558-Y634 AromaticContact CG-CG 3.85Å; W558-Y634 HydrophobicContact CG-CG 3.85Å; W558-Y634 AromaticContact CG-CZ 3.92Å; W558-Y634 AromaticContact NE1-CE2 3.77Å
559	T	71.9	Confident	71.9	Confident	89 Å²	89	78.5 Å²	78.5	55%	0.546	44%	0.443	S	S	.	.			trans	-99.9	125.4	-176.1	44.2	0	0	0	0	111.6
560	K	67.2	Low	71.7	Confident	106 Å²	106	79 Å²	79	46%	0.461	45%	0.445	S	S	.	.			trans	-90.9	133.4	169.1	-160.3	-179.2	171.1	-162.3	0	108.5	Y511 T562	Y511-K560 HydrophobicContact CD1-CG 4.43Å; Y511-K560 HydrophobicContact CD2-CB 3.99Å; Y511-K560 HydrophobicContact CD2-CG 4.47Å; Y511-K560 HydrophobicContact CE1-CB 4.42Å; Y511-K560 HydrophobicContact CE1-CD 3.85Å; Y511-K560 HydrophobicContact CE1-CG 4.14Å; Y511-K560 HydrophobicContact CE2-CB 3.58Å; Y511-K560 HydrophobicContact CE2-CD 4.42Å; Y511-K560 HydrophobicContact CE2-CG 4.19Å; K560-T562 WeakPolarHBondContact CD-OG1 3.37Å; K560-T562 WeakPolarHBondContact CE-OG1 3.24Å; K560-T562 VanDerWaalsContact CG-OG1 3.31Å; K560-T562 WeakPolarHBondContact CG-OG1 3.22Å; K560-T562 PolarHBondContact NZ-OG1 3.05Å; K560-T562 PolarHBondContact O-N 3.2Å
561	D	50.6	Low	71.5	Confident	176 Å²	176	79.1 Å²	79.1	94%	0.941	45%	0.446	S	S	*	.	S	Bend	trans	-72.4	25.5	-179.6	-131.5	-3.6	0	0	0	113.8
562	T	49	Very low	71.4	Confident	74 Å²	74	77 Å²	77	45%	0.454	44%	0.435	S	S	.	.			trans	-129	130.7	-170.2	58.4	0	0	0	0	114.3	K560 D564	K560-T562 WeakPolarHBondContact CD-OG1 3.37Å; K560-T562 WeakPolarHBondContact CE-OG1 3.24Å; K560-T562 VanDerWaalsContact CG-OG1 3.31Å; K560-T562 WeakPolarHBondContact CG-OG1 3.22Å; K560-T562 PolarHBondContact NZ-OG1 3.05Å; K560-T562 PolarHBondContact O-N 3.2Å; T562-D564 VanDerWaalsContact C-N 3.29Å; T562-D564 PolarHBondContact O-N 3.27Å
563	T	45.2	Very low	71.6	Confident	140 Å²	140	73.9 Å²	73.9	86%	0.859	42%	0.419	S	S	*	.			trans	-69.3	56.9	175.6	50.4	0	0	0	0	114.3
564	D	40.7	Very low	71.8	Confident	109 Å²	109	69.5 Å²	69.5	58%	0.583	39%	0.389	S	S	*	.			trans	-98.9	107.1	172.2	-94.8	-29.1	0	0	0	111.1	T562 S566	T562-D564 VanDerWaalsContact C-N 3.29Å; T562-D564 PolarHBondContact O-N 3.27Å; D564-S566 PolarHBondContact O-N 3.09Å
565	N	50.3	Low	72	Confident	149 Å²	149	69.2 Å²	69.2	80%	0.797	39%	0.387	S	S	*	.			trans	-88.6	14.5	-174.1	-83.1	-13.2	0	0	0	114.7
566	S	46.7	Very low	72.2	Confident	110 Å²	110	68.4 Å²	68.4	77%	0.769	38%	0.384	S	S	*	.	S	Bend	trans	-129.8	5.9	-167.1	61.2	0	0	0	0	116.8	D564	D564-S566 PolarHBondContact O-N 3.09Å
567	S	60.5	Low	72.7	Confident	92 Å²	92	61.6 Å²	61.6	64%	0.643	35%	0.348	S	S	*	.	S	Bend	trans	-125.3	146.3	176.1	67.9	0	0	0	0	111.9	S569	S567-S569 PolarHBondContact O-N 3Å
568	L	70	Confident	73	Confident	76 Å²	76	61 Å²	61	40%	0.398	34%	0.344	S	S	.	.			trans	-50.5	128.2	171.9	-75.1	122.2	0	0	0	109.4	E572 R573 I576	L568-E572 HydrophobicContact CD2-CG 3.92Å; L568-R573 HydrophobicContact CB-CG 3.8Å; L568-R573 PolarHBondContact O-NE 2.93Å; L568-I576 HydrophobicContact CD2-CD1 4.39Å
569	S	80.9	Confident	73.4	Confident	26 Å²	26	61.6 Å²	61.6	18%	0.182	35%	0.347	C	S	.	.			trans	-59.4	151.8	178.8	70.3	0	0	0	0	111	S567 A571 E572 R573 P636	S567-S569 PolarHBondContact O-N 3Å; S569-A571 PolarHBondContact O-N 3.19Å; S569-E572 PolarHBondContact O-N 3.02Å; S569-E572 WeakPolarHBondContact OG-CB 3.29Å; S569-E572 PolarHBondContact OG-N 3.5Å; S569-E572 VanDerWaalsContact OG-N 3.16Å; S569-R573 PolarHBondContact O-N 2.75Å; S569-P636 VanDerWaalsContact OG-CD 3.25Å; S569-P636 WeakPolarHBondContact OG-CD 3.23Å
570	M	86.9	Confident	74.3	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-59	-38.4	177.9	-177.2	169.3	63.5	0	0	112.1	Y511 I514 N515 V518 W558 R573 F574	Y511-M570 HydrophobicContact CD2-CE 3.77Å; Y511-M570 HydrophobicContact CD2-SD 4.42Å; Y511-M570 HydrophobicContact CE2-CE 3.53Å; Y511-M570 HydrophobicContact CE2-SD 3.94Å; I514-M570 HydrophobicContact CB-CE 4.18Å; I514-M570 HydrophobicContact CB-SD 4.23Å; I514-M570 HydrophobicContact CG2-CE 3.68Å; I514-M570 HydrophobicContact CG2-SD 3.8Å; N515-M570 WeakPolarHBondContact CA-SD 3.26Å; N515-M570 HydrophobicContact CB-SD 3.65Å; N515-M570 PolarHBondContact N-SD 3.1Å; N515-M570 VanDerWaalsContact N-SD 3.42Å; V518-M570 HydrophobicContact CB-CG 4.21Å; V518-M570 HydrophobicContact CG1-CG 4.37Å; V518-M570 HydrophobicContact CG2-CG 3.82Å; V518-M570 HydrophobicContact CG2-SD 4.48Å; W558-M570 HydrophobicContact CB-CE 4.31Å; W558-M570 HydrophobicContact CD2-CE 4.22Å; W558-M570 HydrophobicContact CE3-CE 3.72Å; W558-M570 HydrophobicContact CE3-CG 4.19Å; W558-M570 HydrophobicContact CG-CE 4.49Å; W558-M570 HydrophobicContact CZ3-CE 4.41Å; W558-M570 HydrophobicContact CZ3-CG 4.02Å; W558-M570 WeakPolarHBondContact O-CE 3.45Å; M570-R573 PolarHBondContact O-N 3.3Å; M570-F574 WeakPolarHBondContact O-CB 3.47Å; M570-F574 PolarHBondContact O-N 3.15Å
571	A	88.6	Confident	75.5	Confident	2 Å²	2	54.9 Å²	54.9	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-41.6	176.1	0	0	0	0	0	112.6	W558 S569 F574 M575 L631 Y634 L635	W558-A571 HydrophobicContact CE3-CB 4.45Å; W558-A571 HydrophobicContact CZ3-CB 4.49Å; S569-A571 PolarHBondContact O-N 3.19Å; A571-F574 PolarHBondContact O-N 3.3Å; A571-M575 WeakPolarHBondContact O-CB 3.41Å; A571-M575 PolarHBondContact O-N 2.98Å; A571-L631 HydrophobicContact CB-CD1 4.12Å; A571-Y634 VanDerWaalsContact CB-O 3.25Å; A571-Y634 WeakPolarHBondContact CB-O 3.36Å; A571-L635 HydrophobicContact CB-CD2 4.05Å
572	E	87.6	Confident	77.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-46.2	176.6	-179.6	173.7	-159.8	0	0	111.8	L568 S569 F574 M575 I576 L635 W680 H685	L568-E572 HydrophobicContact CD2-CG 3.92Å; S569-E572 PolarHBondContact O-N 3.02Å; S569-E572 WeakPolarHBondContact OG-CB 3.29Å; S569-E572 PolarHBondContact OG-N 3.5Å; S569-E572 VanDerWaalsContact OG-N 3.16Å; E572-F574 VanDerWaalsContact C-N 3.28Å; E572-F574 PolarHBondContact O-N 3.19Å; E572-M575 PolarHBondContact O-N 2.94Å; E572-I576 HydrophobicContact CG-CD1 3.77Å; E572-I576 WeakPolarHBondContact O-CG1 3.25Å; E572-I576 PolarHBondContact O-N 3.4Å; E572-L635 HydrophobicContact CB-CD2 4.45Å; E572-W680 HydrophobicContact CG-CZ2 4.39Å; E572-W680 PolarHBondContact OE1-NE1 3.37Å; E572-H685 IonicContact OE1-CE1 2.76Å; E572-H685 IonicContact OE1-CG 3.79Å; E572-H685 IonicContact OE1-ND1 3.74Å; E572-H685 PolarHBondContact OE1-ND1 3.43Å; E572-H685 IonicContact OE2-CG 2.79Å; E572-H685 IonicContact OE2-ND1 3.26Å; E572-H685 PolarHBondContact OE2-ND1 3.08Å
573	R	90.8	Very high	79.3	Confident	67 Å²	67	49 Å²	49	25%	0.253	27%	0.273	S	S	.	.	H	α-helix	trans	-58.3	-40.9	175.2	-72.3	-171.9	-72.9	150.1	6.5	112	N515 V518 T522 L568 S569 M570 S577	N515-R573 PolarHBondContact OD1-NH2 3.16Å; V518-R573 HydrophobicContact CG1-CB 3.9Å; T522-R573 HydrophobicContact CG2-CB 4.04Å; L568-R573 HydrophobicContact CB-CG 3.8Å; L568-R573 PolarHBondContact O-NE 2.93Å; S569-R573 PolarHBondContact O-N 2.75Å; M570-R573 PolarHBondContact O-N 3.3Å; R573-S577 VanDerWaalsContact O-CB 3.3Å; R573-S577 WeakPolarHBondContact O-CB 3.47Å; R573-S577 PolarHBondContact O-N 3.11Å; R573-S577 VanDerWaalsContact O-N 3.11Å; R573-S577 PolarHBondContact O-OG 3.46Å
574	F	93.1	Very high	81.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-51.5	175.7	173.7	-103.2	0	0	0	112	V518 F521 L549 L550 W558 M570 A571 E572 I576 S577 V578 F628 L631	V518-F574 HydrophobicContact CG1-CB 4.02Å; V518-F574 HydrophobicContact CG2-CB 3.85Å; V518-F574 HydrophobicContact CG2-CD2 4.11Å; V518-F574 HydrophobicContact CG2-CG 4.35Å; F521-F574 HydrophobicContact CD2-CD2 4.1Å; F521-F574 HydrophobicContact CD2-CE2 4.04Å; F521-F574 HydrophobicContact CE2-CD2 4.37Å; F521-F574 AromaticContact CE2-CE2 3.85Å; F521-F574 HydrophobicContact CE2-CE2 3.85Å; L549-F574 HydrophobicContact CD1-CD2 4.48Å; L549-F574 HydrophobicContact CD1-CE2 3.97Å; L550-F574 HydrophobicContact CD1-CE1 4.03Å; L550-F574 HydrophobicContact CD1-CZ 4.46Å; L550-F574 HydrophobicContact CD2-CD1 4.47Å; L550-F574 HydrophobicContact CD2-CE1 3.87Å; L550-F574 HydrophobicContact CG-CE1 3.97Å; L550-F574 HydrophobicContact CG-CZ 4.24Å; W558-F574 HydrophobicContact CH2-CB 3.86Å; W558-F574 AromaticContact CH2-CD1 3.89Å; W558-F574 HydrophobicContact CH2-CD1 3.89Å; W558-F574 HydrophobicContact CH2-CD2 4.02Å; W558-F574 HydrophobicContact CH2-CE1 4.45Å; W558-F574 AromaticContact CH2-CG 3.64Å; W558-F574 HydrophobicContact CH2-CG 3.64Å; W558-F574 HydrophobicContact CZ3-CB 4.02Å; W558-F574 HydrophobicContact CZ3-CG 4.29Å; M570-F574 WeakPolarHBondContact O-CB 3.47Å; M570-F574 PolarHBondContact O-N 3.15Å; A571-F574 PolarHBondContact O-N 3.3Å; E572-F574 VanDerWaalsContact C-N 3.28Å; E572-F574 PolarHBondContact O-N 3.19Å; F574-I576 PolarHBondContact O-N 3.28Å; F574-S577 PolarHBondContact O-N 3.35Å; F574-V578 HydrophobicContact CD2-CG2 4.03Å; F574-V578 HydrophobicContact CE1-CG2 4.33Å; F574-V578 HydrophobicContact CE2-CG2 3.66Å; F574-V578 HydrophobicContact CZ-CG2 3.84Å; F574-V578 WeakPolarHBondContact O-CG2 3.3Å; F574-V578 PolarHBondContact O-N 3.35Å; F574-F628 HydrophobicContact CE1-CD1 4.45Å; F574-F628 HydrophobicContact CE1-CE1 4.43Å; F574-L631 HydrophobicContact CD1-CD1 4.11Å
575	M	92	Very high	83.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-53.2	-179.2	-171.6	176.4	70.3	0	0	111.2	A571 E572 S577 V578 E579 F628 L631 I648 W680	A571-M575 WeakPolarHBondContact O-CB 3.41Å; A571-M575 PolarHBondContact O-N 2.98Å; E572-M575 PolarHBondContact O-N 2.94Å; M575-S577 VanDerWaalsContact C-N 3.31Å; M575-S577 PolarHBondContact O-N 3.47Å; M575-V578 PolarHBondContact O-N 2.69Å; M575-E579 HydrophobicContact CG-CG 4.44Å; M575-E579 WeakPolarHBondContact O-CB 3.35Å; M575-E579 VanDerWaalsContact O-CG 3.24Å; M575-E579 WeakPolarHBondContact O-CG 3.36Å; M575-E579 PolarHBondContact O-N 2.96Å; M575-F628 HydrophobicContact CG-CE2 4.21Å; M575-F628 HydrophobicContact CG-CZ 4.43Å; M575-L631 HydrophobicContact CB-CD2 3.98Å; M575-L631 HydrophobicContact CG-CD2 3.87Å; M575-L631 HydrophobicContact SD-CD2 3.97Å; M575-I648 HydrophobicContact SD-CG2 4.03Å; M575-W680 HydrophobicContact CE-CB 4.03Å; M575-W680 HydrophobicContact CE-CG 3.76Å
576	I	90.4	Very high	85.5	Confident	40 Å²	40	35.9 Å²	35.9	21%	0.205	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-42.4	-179.1	-66.5	169.8	0	0	0	111	L568 E572 F574 N580 T682	L568-I576 HydrophobicContact CD2-CD1 4.39Å; E572-I576 HydrophobicContact CG-CD1 3.77Å; E572-I576 WeakPolarHBondContact O-CG1 3.25Å; E572-I576 PolarHBondContact O-N 3.4Å; F574-I576 PolarHBondContact O-N 3.28Å; I576-N580 WeakPolarHBondContact CG2-ND2 3.32Å; I576-N580 WeakPolarHBondContact O-CB 3.17Å; I576-N580 VanDerWaalsContact O-CG 3.25Å; I576-N580 PolarHBondContact O-N 3.2Å; I576-N580 PolarHBondContact O-ND2 3.34Å; I576-N580 VanDerWaalsContact O-ND2 3.12Å; I576-T682 HydrophobicContact CD1-CG2 4.02Å; I576-T682 HydrophobicContact CG1-CG2 4.38Å
577	S	93.5	Very high	87.2	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-44.1	-179.1	-57.9	0	0	0	0	111.8	T522 R573 F574 M575 N580 L581	T522-S577 WeakPolarHBondContact CA-OG 3.43Å; T522-S577 WeakPolarHBondContact CG2-OG 3.27Å; R573-S577 VanDerWaalsContact O-CB 3.3Å; R573-S577 WeakPolarHBondContact O-CB 3.47Å; R573-S577 PolarHBondContact O-N 3.11Å; R573-S577 VanDerWaalsContact O-N 3.11Å; R573-S577 PolarHBondContact O-OG 3.46Å; F574-S577 PolarHBondContact O-N 3.35Å; M575-S577 VanDerWaalsContact C-N 3.31Å; M575-S577 PolarHBondContact O-N 3.47Å; S577-N580 PolarHBondContact O-N 3.01Å; S577-L581 WeakPolarHBondContact O-CB 3.27Å; S577-L581 VanDerWaalsContact O-CG 3.24Å; S577-L581 WeakPolarHBondContact O-CG 3.4Å; S577-L581 PolarHBondContact O-N 3.27Å
578	V	93.6	Very high	88	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-42.1	178.9	175.7	0	0	0	0	111.2	F521 S546 F574 M575 N580 L581 I582 F628	F521-V578 HydrophobicContact CD1-CG2 4.44Å; F521-V578 HydrophobicContact CE1-CG2 4.44Å; S546-V578 WeakPolarHBondContact OG-CG2 3.25Å; F574-V578 HydrophobicContact CD2-CG2 4.03Å; F574-V578 HydrophobicContact CE1-CG2 4.33Å; F574-V578 HydrophobicContact CE2-CG2 3.66Å; F574-V578 HydrophobicContact CZ-CG2 3.84Å; F574-V578 WeakPolarHBondContact O-CG2 3.3Å; F574-V578 PolarHBondContact O-N 3.35Å; M575-V578 PolarHBondContact O-N 2.69Å; V578-N580 PolarHBondContact O-N 3.35Å; V578-L581 PolarHBondContact O-N 2.81Å; V578-I582 HydrophobicContact CG1-CD1 3.75Å; V578-I582 HydrophobicContact CG1-CG1 4.43Å; V578-I582 VanDerWaalsContact O-CG1 3.28Å; V578-I582 WeakPolarHBondContact O-CG1 3.3Å; V578-I582 PolarHBondContact O-N 3.07Å; V578-F628 HydrophobicContact CB-CE1 4.21Å; V578-F628 HydrophobicContact CB-CZ 4.37Å; V578-F628 HydrophobicContact CG1-CE1 3.85Å; V578-F628 HydrophobicContact CG1-CZ 4.09Å
579	E	91.6	Very high	88.5	Confident	23 Å²	23	33.6 Å²	33.6	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-46.4	175.5	-74.2	176.6	166.9	0	0	112.1	M575 I582 K583 F628 S650 S710	M575-E579 HydrophobicContact CG-CG 4.44Å; M575-E579 WeakPolarHBondContact O-CB 3.35Å; M575-E579 VanDerWaalsContact O-CG 3.24Å; M575-E579 WeakPolarHBondContact O-CG 3.36Å; M575-E579 PolarHBondContact O-N 2.96Å; E579-I582 PolarHBondContact O-N 2.85Å; E579-K583 WeakPolarHBondContact O-CB 2.98Å; E579-K583 PolarHBondContact O-N 2.84Å; E579-F628 HydrophobicContact CG-CE2 4.22Å; E579-F628 HydrophobicContact CG-CZ 4.14Å; E579-S650 WeakPolarHBondContact OE1-CB 2.99Å; E579-S650 PolarHBondContact OE1-OG 2.98Å; E579-S710 WeakPolarHBondContact OE1-CB 3.25Å; E579-S710 PolarHBondContact OE1-OG 3.32Å; E579-S710 PolarHBondContact OE2-OG 3Å
580	N	91.1	Very high	88.5	Confident	54 Å²	54	33.6 Å²	33.6	29%	0.289	18%	0.181	S	C	.	.	H	α-helix	trans	-66.5	-39.9	178.9	-73.2	-30.9	0	0	0	112.3	N525 I576 S577 V578 I582 K583 I584	N525-N580 PolarHBondContact ND2-ND2 2.72Å; N525-N580 WeakPolarHBondContact OD1-CB 3.25Å; I576-N580 WeakPolarHBondContact CG2-ND2 3.32Å; I576-N580 WeakPolarHBondContact O-CB 3.17Å; I576-N580 VanDerWaalsContact O-CG 3.25Å; I576-N580 PolarHBondContact O-N 3.2Å; I576-N580 PolarHBondContact O-ND2 3.34Å; I576-N580 VanDerWaalsContact O-ND2 3.12Å; S577-N580 PolarHBondContact O-N 3.01Å; V578-N580 PolarHBondContact O-N 3.35Å; N580-I582 VanDerWaalsContact C-N 3.34Å; N580-I582 PolarHBondContact O-N 2.88Å; N580-K583 WeakPolarHBondContact O-CB 3.44Å; N580-K583 PolarHBondContact O-N 2.7Å; N580-I584 PolarHBondContact O-N 2.88Å; N580-I584 VanDerWaalsContact O-N 3.08Å
581	L	92.1	Very high	88.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-41	175.2	-72.6	171.3	0	0	0	111.7	F496 F521 N525 L528 I533 Y542 S577 V578 K583 I584 S585	F496-L581 HydrophobicContact CZ-CD1 4.23Å; F496-L581 HydrophobicContact CZ-CD2 4.26Å; F521-L581 HydrophobicContact CD1-CD1 3.62Å; F521-L581 HydrophobicContact CE1-CD1 4.22Å; N525-L581 HydrophobicContact CB-CG 4.44Å; L528-L581 HydrophobicContact CD1-CD2 3.94Å; I533-L581 HydrophobicContact CD1-CD2 4.27Å; Y542-L581 HydrophobicContact CE2-CB 4.18Å; S577-L581 WeakPolarHBondContact O-CB 3.27Å; S577-L581 VanDerWaalsContact O-CG 3.24Å; S577-L581 WeakPolarHBondContact O-CG 3.4Å; S577-L581 PolarHBondContact O-N 3.27Å; V578-L581 PolarHBondContact O-N 2.81Å; L581-K583 VanDerWaalsContact C-N 3.35Å; L581-I584 HydrophobicContact CD2-CD1 4.26Å; L581-I584 WeakPolarHBondContact O-CG1 3.28Å; L581-I584 PolarHBondContact O-N 2.64Å; L581-S585 WeakPolarHBondContact O-CB 3.47Å; L581-S585 PolarHBondContact O-N 3.23Å; L581-S585 PolarHBondContact O-OG 3.46Å
582	I	90.8	Very high	88.6	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-39.2	175.4	-69.2	168.3	0	0	0	111	Y542 L543 V578 E579 N580 I584 S585 L587 V598 K624 T626	Y542-I582 HydrophobicContact CE2-CG1 4.12Å; L543-I582 HydrophobicContact CD2-CD1 3.95Å; L543-I582 HydrophobicContact CD2-CG1 3.98Å; V578-I582 HydrophobicContact CG1-CD1 3.75Å; V578-I582 HydrophobicContact CG1-CG1 4.43Å; V578-I582 VanDerWaalsContact O-CG1 3.28Å; V578-I582 WeakPolarHBondContact O-CG1 3.3Å; V578-I582 PolarHBondContact O-N 3.07Å; E579-I582 PolarHBondContact O-N 2.85Å; N580-I582 VanDerWaalsContact C-N 3.34Å; N580-I582 PolarHBondContact O-N 2.88Å; I582-I584 PolarHBondContact O-N 2.57Å; I582-S585 PolarHBondContact O-N 3.04Å; I582-L587 HydrophobicContact CG2-CD1 3.96Å; I582-V598 HydrophobicContact CD1-CG2 3.78Å; I582-V598 HydrophobicContact CG2-CG1 4Å; I582-K624 HydrophobicContact CG2-CD 4.45Å; I582-K624 PolarHBondContact O-NZ 3.45Å; I582-K624 VanDerWaalsContact O-NZ 3.1Å; I582-T626 HydrophobicContact CD1-CG2 3.72Å; I582-T626 VanDerWaalsContact CD1-OG1 3.3Å; I582-T626 WeakPolarHBondContact CD1-OG1 3.28Å
583	K	88.6	Confident	88.7	Confident	126 Å²	126	46 Å²	46	55%	0.548	23%	0.228	S	C	.	.	H	α-helix	trans	-58.1	-46.8	176.7	-174.4	-179.5	177.8	-179.1	0	111.6	E579 N580 L581 K624	E579-K583 WeakPolarHBondContact O-CB 2.98Å; E579-K583 PolarHBondContact O-N 2.84Å; N580-K583 WeakPolarHBondContact O-CB 3.44Å; N580-K583 PolarHBondContact O-N 2.7Å; L581-K583 VanDerWaalsContact C-N 3.35Å; K583-K624 PolarHBondContact O-NZ 3.22Å
584	I	89.4	Confident	88.6	Confident	31 Å²	31	49 Å²	49	16%	0.159	25%	0.245	C	C	.	.	H	α-helix	trans	-82.8	-6	179.4	69.6	179.5	0	0	0	114.2	L528 T532 I533 N580 L581 I582	L528-I584 HydrophobicContact CB-CD1 3.76Å; T532-I584 VanDerWaalsContact CA-O 3.28Å; T532-I584 WeakPolarHBondContact CA-O 3.49Å; T532-I584 WeakPolarHBondContact CG2-O 3.4Å; I533-I584 HydrophobicContact CD1-CD1 4.33Å; I533-I584 HydrophobicContact CD1-CG1 4.24Å; I533-I584 HydrophobicContact CG1-CD1 4.41Å; I533-I584 HydrophobicContact CG1-CG1 4.3Å; I533-I584 PolarHBondContact N-O 3.05Å; N580-I584 PolarHBondContact O-N 2.88Å; N580-I584 VanDerWaalsContact O-N 3.08Å; L581-I584 HydrophobicContact CD2-CD1 4.26Å; L581-I584 WeakPolarHBondContact O-CG1 3.28Å; L581-I584 PolarHBondContact O-N 2.64Å; I582-I584 PolarHBondContact O-N 2.57Å
585	S	89.1	Confident	88.6	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.007	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-80.8	134.6	178.6	-66.4	0	0	0	0	112.1	Y542 L581 I582 L587 K624	Y542-S585 WeakPolarHBondContact OH-CB 3.39Å; Y542-S585 PolarHBondContact OH-OG 3.07Å; L581-S585 WeakPolarHBondContact O-CB 3.47Å; L581-S585 PolarHBondContact O-N 3.23Å; L581-S585 PolarHBondContact O-OG 3.46Å; I582-S585 PolarHBondContact O-N 3.04Å; S585-L587 PolarHBondContact O-N 2.92Å; S585-K624 PolarHBondContact O-NZ 3.3Å
586	N	88	Confident	88.6	Confident	90 Å²	90	49.3 Å²	49.3	48%	0.481	25%	0.247	S	C	.	.			trans	-81.2	64	174.2	-168.9	22.5	0	0	0	111.5	T532 I533 T588	T532-N586 HydrophobicContact CG2-CB 3.94Å; I533-N586 WeakPolarHBondContact O-CB 3.31Å; I533-N586 PolarHBondContact O-N 3.08Å; N586-T588 PolarHBondContact O-N 2.74Å
587	L	83.6	Confident	88.8	Confident	20 Å²	20	48.8 Å²	48.8	11%	0.105	24%	0.244	C	C	.	.			trans	-71.3	126.6	178.3	-73.5	162.6	0	0	0	110.5	I539 L543 I582 S585 V598 L600	I539-L587 HydrophobicContact CG2-CD2 3.36Å; I539-L587 HydrophobicContact CG2-CG 4.12Å; L543-L587 HydrophobicContact CD1-CD2 4.41Å; I582-L587 HydrophobicContact CG2-CD1 3.96Å; S585-L587 PolarHBondContact O-N 2.92Å; L587-V598 HydrophobicContact CD1-CG1 3.89Å; L587-L600 HydrophobicContact CB-CD2 3.3Å; L587-L600 HydrophobicContact CD1-CD2 4.49Å; L587-L600 WeakPolarHBondContact O-CD2 3.48Å
588	T	77.4	Confident	88.7	Confident	107 Å²	107	48.8 Å²	48.8	66%	0.656	24%	0.244	S	C	*	.	S	Bend	trans	-100.7	-27.1	175.6	54.6	0	0	0	0	112.8	N586	N586-T588 PolarHBondContact O-N 2.74Å
589	V	80.3	Confident	88.6	Confident	104 Å²	104	50.5 Å²	50.5	63%	0.63	25%	0.253	S	S	*	.	S	Bend	trans	-133.3	142.1	-179.4	-176.1	0	0	0	0	108.9
590	G	80.8	Confident	88.4	Confident	25 Å²	25	51.3 Å²	51.3	26%	0.258	26%	0.258	S	S	.	.			trans	-66.1	144.1	173.5	0	0	0	0	0	112.4	V598	G590-V598 CarbonylContact C-O 3.6Å; G590-V598 VanDerWaalsContact C-O 3.3Å; G590-V598 WeakPolarHBondContact CA-O 3.39Å
591	T	86.9	Confident	88	Confident	15 Å²	15	49.9 Å²	49.9	9%	0.092	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.3	-179.9	-56.5	0	0	0	0	109.9	E540 L543 R593 V598	E540-T591 WeakPolarHBondContact OE1-CG2 3.06Å; E540-T591 PolarHBondContact OE1-OG1 2.92Å; L543-T591 HydrophobicContact CD1-CG2 4.28Å; T591-R593 HydrophobicContact CG2-CG 4.15Å; T591-V598 PolarHBondContact N-O 3.47Å; T591-V598 PolarHBondContact O-N 3.35Å
592	R	89.9	Confident	87.2	Confident	174 Å²	174	55.4 Å²	55.4	66%	0.657	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.9	176.8	-64.1	-175.4	-179.5	136.5	3.4	111.3	Q597	R592-Q597 HydrophobicContact CB-CG 4.21Å; R592-Q597 HydrophobicContact CG-CG 4.23Å
593	R	89.4	Confident	86.3	Confident	84 Å²	84	60.7 Å²	60.7	32%	0.317	31%	0.308	S	S	.	.			trans	-118.9	173	172.4	-53.7	-65.3	-173.3	171	0.2	110.2	E540 S547 T591 N595 L596	E540-R593 IonicContact OE2-CZ 3.9Å; E540-R593 IonicContact OE2-NE 2.68Å; E540-R593 IonicContact OE2-NH2 3.94Å; E540-R593 PolarHBondContact OE2-NH2 2.91Å; S547-R593 WeakPolarHBondContact OG-CB 3.24Å; T591-R593 HydrophobicContact CG2-CG 4.15Å; R593-N595 PolarHBondContact O-N 3.23Å; R593-L596 CarbonylContact C-O 3.48Å; R593-L596 VanDerWaalsContact CA-O 3.3Å; R593-L596 WeakPolarHBondContact CA-O 3.49Å; R593-L596 VanDerWaalsContact CB-O 3.25Å; R593-L596 WeakPolarHBondContact CB-O 3.43Å; R593-L596 PolarHBondContact N-O 3.48Å
594	E	88.9	Confident	85.3	Confident	131 Å²	131	58.8 Å²	58.8	61%	0.612	31%	0.31	S	S	*	.	S	Bend	trans	-64.5	-40.3	-173.2	-173.7	179.9	-179.3	0	0	113.4	F611	E594-F611 WeakPolarHBondContact O-CE1 3.37Å; E594-F611 VanDerWaalsContact O-CZ 3.3Å; E594-F611 WeakPolarHBondContact O-CZ 3.38Å
595	N	92.2	Very high	84.4	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.032	33%	0.332	C	S	.	.	S	Bend	trans	-119.1	0.8	-177.3	-53.9	-54.4	0	0	0	113.7	S547 L550 R593 K629	S547-N595 WeakPolarHBondContact O-CB 3.3Å; S547-N595 PolarHBondContact O-ND2 2.98Å; S547-N595 VanDerWaalsContact O-ND2 3.08Å; S547-N595 PolarHBondContact OG-N 2.91Å; S547-N595 VanDerWaalsContact OG-N 3.09Å; L550-N595 HydrophobicContact CB-CB 3.75Å; R593-N595 PolarHBondContact O-N 3.23Å; N595-K629 HydrophobicContact CB-CB 4.17Å; N595-K629 PolarHBondContact O-N 3.35Å
596	L	94	Very high	83.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	128	177.2	-171.3	73.9	0	0	0	109.6	L543 R593 V598 T626 A627 F628	L543-L596 HydrophobicContact CB-CD2 4.5Å; L543-L596 HydrophobicContact CD2-CD2 3.72Å; R593-L596 CarbonylContact C-O 3.48Å; R593-L596 VanDerWaalsContact CA-O 3.3Å; R593-L596 WeakPolarHBondContact CA-O 3.49Å; R593-L596 VanDerWaalsContact CB-O 3.25Å; R593-L596 WeakPolarHBondContact CB-O 3.43Å; R593-L596 PolarHBondContact N-O 3.48Å; L596-V598 HydrophobicContact CG-CG2 4.45Å; L596-T626 HydrophobicContact CD1-CG2 3.52Å; L596-T626 HydrophobicContact CG-CG2 4.35Å; L596-A627 WeakPolarHBondContact CA-O 3.31Å; L596-F628 HydrophobicContact CD1-CD1 3.34Å; L596-F628 HydrophobicContact CD1-CE1 3.42Å; L596-F628 VanDerWaalsContact CD1-CE1 3.42Å; L596-F628 HydrophobicContact CD1-CG 4.11Å; L596-F628 HydrophobicContact CD1-CZ 4.23Å
597	Q	93.8	Very high	83.8	Confident	29 Å²	29	62.7 Å²	62.7	14%	0.136	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.3	170.4	-70.6	-175.3	12.6	0	0	109.4	R592 V610 F611 T626 A627	R592-Q597 HydrophobicContact CB-CG 4.21Å; R592-Q597 HydrophobicContact CG-CG 4.23Å; Q597-V610 HydrophobicContact CB-CB 4.2Å; Q597-V610 HydrophobicContact CB-CG1 4.14Å; Q597-F611 HydrophobicContact CB-CD2 4.05Å; Q597-F611 HydrophobicContact CB-CE2 3.83Å; Q597-F611 HydrophobicContact CB-CZ 4.38Å; Q597-F611 HydrophobicContact CG-CD1 4.36Å; Q597-F611 HydrophobicContact CG-CD2 3.9Å; Q597-F611 HydrophobicContact CG-CE1 4Å; Q597-F611 HydrophobicContact CG-CE2 3.51Å; Q597-F611 HydrophobicContact CG-CG 4.31Å; Q597-F611 HydrophobicContact CG-CZ 3.56Å; Q597-F611 VanDerWaalsContact NE2-CD1 3.28Å; Q597-T626 CarbonylContact O-C 3.55Å; Q597-T626 WeakPolarHBondContact O-CA 3.43Å; Q597-A627 PolarHBondContact N-O 3.35Å; Q597-A627 PolarHBondContact O-N 2.89Å
598	V	91.8	Very high	84	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.6	176.2	-173.8	0	0	0	0	107.7	L543 I582 L587 G590 T591 L596 T625 T626	L543-V598 HydrophobicContact CD2-CG2 3.92Å; I582-V598 HydrophobicContact CD1-CG2 3.78Å; I582-V598 HydrophobicContact CG2-CG1 4Å; L587-V598 HydrophobicContact CD1-CG1 3.89Å; G590-V598 CarbonylContact C-O 3.6Å; G590-V598 VanDerWaalsContact C-O 3.3Å; G590-V598 WeakPolarHBondContact CA-O 3.39Å; T591-V598 PolarHBondContact N-O 3.47Å; T591-V598 PolarHBondContact O-N 3.35Å; L596-V598 HydrophobicContact CG-CG2 4.45Å; V598-T625 CarbonylContact C-O 3.45Å; V598-T625 VanDerWaalsContact CA-O 3.28Å; V598-T625 WeakPolarHBondContact CA-O 3.18Å; V598-T626 HydrophobicContact CG2-CG2 4.07Å
599	D	90.1	Very high	84.5	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.193	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.2	175.9	-157.6	1.9	0	0	0	109.8	I608 V610 T625	D599-I608 HydrophobicContact CB-CG2 3.64Å; D599-V610 HydrophobicContact CB-CG1 3.81Å; D599-T625 PolarHBondContact N-O 3.45Å; D599-T625 PolarHBondContact O-N 3.24Å
600	L	87.9	Confident	84.9	Confident	40 Å²	40	55.4 Å²	55.4	21%	0.209	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	156.2	-170.9	31.5	64.8	0	0	0	112.8	L587 V623 K624	L587-L600 HydrophobicContact CB-CD2 3.3Å; L587-L600 HydrophobicContact CD1-CD2 4.49Å; L587-L600 WeakPolarHBondContact O-CD2 3.48Å; L600-V623 VanDerWaalsContact CA-O 3.31Å; L600-V623 WeakPolarHBondContact CA-O 3.4Å; L600-K624 HydrophobicContact CB-CG 4.38Å
601	C	83.3	Confident	85.2	Confident	23 Å²	23	56 Å²	56	16%	0.155	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	134.2	-162.4	-169.4	0	0	0	0	111.5	C606 I608 N622 V623	C601-C606 HydrophobicContact CB-CB 4.01Å; C601-C606 WeakPolarHBondContact CB-SG 3.39Å; C601-C606 WeakPolarHBondContact SG-CA 3.37Å; C601-C606 WeakPolarHBondContact SG-CB 3.31Å; C601-C606 CovalentContact SG-SG 2Å; C601-C606 PolarHBondContact SG-SG 3.43Å; C601-I608 HydrophobicContact CB-CD1 3.74Å; C601-I608 HydrophobicContact CB-CG1 3.95Å; C601-N622 WeakPolarHBondContact O-CA 3.42Å; C601-V623 PolarHBondContact N-O 3.08Å; C601-V623 VanDerWaalsContact N-O 3.07Å; C601-V623 PolarHBondContact O-N 2.9Å
602	N	74.5	Confident	85.1	Confident	117 Å²	117	60.2 Å²	60.2	63%	0.626	31%	0.31	S	S	*	.			trans	-137.1	32.7	-170.3	-168	2.7	0	0	0	111.5	N622	N602-N622 WeakPolarHBondContact CB-OD1 3.46Å; N602-N622 PolarHBondContact ND2-OD1 2.72Å; N602-N622 PolarHBondContact OD1-OD1 2.81Å
603	I	71.5	Confident	85.1	Confident	111 Å²	111	52 Å²	52	57%	0.569	28%	0.279	S	S	*	.	S	Bend	trans	-123.6	153.2	-174.4	-53.4	174.1	0	0	0	109.5	S605	I603-S605 PolarHBondContact O-N 2.55Å
604	S	68	Low	85.1	Confident	86 Å²	86	50 Å²	50	60%	0.601	28%	0.276	S	S	*	.	S	Bend	trans	-48.6	-30.2	-179.2	53.1	0	0	0	0	116.2	G619 G620	S604-G619 CarbonylContact O-C 3.22Å; S604-G619 VanDerWaalsContact O-CA 3.29Å; S604-G619 WeakPolarHBondContact O-CA 3.23Å; S604-G619 PolarHBondContact O-N 3.26Å; S604-G620 VanDerWaalsContact CA-CA 3.47Å; S604-G620 PolarHBondContact O-N 2.98Å
605	S	71.4	Confident	85.2	Confident	88 Å²	88	43.7 Å²	43.7	62%	0.615	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	111.3	170.6	60.2	0	0	0	0	108.9	I603	I603-S605 PolarHBondContact O-N 2.55Å
606	C	79.1	Confident	85	Confident	4 Å²	4	45.9 Å²	45.9	3%	0.027	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.6	-174.6	-173.2	0	0	0	0	111.5	C601 I608 S616 V617	C601-C606 HydrophobicContact CB-CB 4.01Å; C601-C606 WeakPolarHBondContact CB-SG 3.39Å; C601-C606 WeakPolarHBondContact SG-CA 3.37Å; C601-C606 WeakPolarHBondContact SG-CB 3.31Å; C601-C606 CovalentContact SG-SG 2Å; C601-C606 PolarHBondContact SG-SG 3.43Å; C606-I608 VanDerWaalsContact SG-CD1 3.59Å; C606-I608 VanDerWaalsContact SG-CG1 3.58Å; C606-S616 VanDerWaalsContact O-CA 3.28Å; C606-S616 WeakPolarHBondContact O-CA 3.49Å; C606-V617 HydrophobicContact CB-CB 4.16Å; C606-V617 PolarHBondContact N-O 2.76Å; C606-V617 VanDerWaalsContact N-O 3.08Å; C606-V617 PolarHBondContact O-N 3.11Å
607	N	86	Confident	84.6	Confident	113 Å²	113	46 Å²	46	60%	0.604	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	105.1	170.3	-169.4	12.5	0	0	0	110.1	T614 I615	N607-T614 WeakPolarHBondContact OD1-CG2 3.45Å; N607-I615 CarbonylContact C-O 3.58Å; N607-I615 WeakPolarHBondContact CA-O 3.3Å; N607-I615 PolarHBondContact OD1-O 2.77Å
608	I	86.4	Confident	83.7	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.7	-178.2	-70.6	163.4	0	0	0	109.3	D599 C601 C606 V610 T614 I615 V623 T625	D599-I608 HydrophobicContact CB-CG2 3.64Å; C601-I608 HydrophobicContact CB-CD1 3.74Å; C601-I608 HydrophobicContact CB-CG1 3.95Å; C606-I608 VanDerWaalsContact SG-CD1 3.59Å; C606-I608 VanDerWaalsContact SG-CG1 3.58Å; I608-V610 HydrophobicContact CG2-CG1 3.96Å; I608-T614 CarbonylContact O-C 3.53Å; I608-T614 WeakPolarHBondContact O-CA 3.48Å; I608-I615 HydrophobicContact CB-CB 4.35Å; I608-I615 PolarHBondContact N-O 3.37Å; I608-I615 PolarHBondContact O-N 2.59Å; I608-V623 HydrophobicContact CD1-CG1 4.27Å; I608-T625 WeakPolarHBondContact CD1-OG1 3.43Å; I608-T625 HydrophobicContact CG2-CG2 4.15Å
609	N	89.2	Confident	82.4	Confident	73 Å²	73	50 Å²	50	39%	0.39	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	112.6	173.1	-176.8	14.4	0	0	0	111.2	N612 V613	N609-N612 WeakPolarHBondContact OD1-CA 3.38Å; N609-N612 PolarHBondContact OD1-N 3.09Å; N609-N612 VanDerWaalsContact OD1-N 3.16Å; N609-V613 WeakPolarHBondContact CA-O 3.08Å; N609-V613 PolarHBondContact OD1-O 3.12Å
610	V	87.5	Confident	81.1	Confident	2 Å²	2	51 Å²	51	1%	0.012	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	119.1	177.7	-72.1	0	0	0	0	109.6	Q597 D599 I608 N612 V613 I615 T625 A627 V649	Q597-V610 HydrophobicContact CB-CB 4.2Å; Q597-V610 HydrophobicContact CB-CG1 4.14Å; D599-V610 HydrophobicContact CB-CG1 3.81Å; I608-V610 HydrophobicContact CG2-CG1 3.96Å; V610-N612 PolarHBondContact O-N 3.2Å; V610-V613 HydrophobicContact CG2-CB 4.46Å; V610-V613 PolarHBondContact N-O 3.01Å; V610-V613 WeakPolarHBondContact O-CA 3.28Å; V610-V613 VanDerWaalsContact O-CB 3.3Å; V610-V613 WeakPolarHBondContact O-CB 3.16Å; V610-V613 PolarHBondContact O-N 3.39Å; V610-I615 HydrophobicContact CG2-CD1 4.38Å; V610-T625 HydrophobicContact CG1-CG2 4.23Å; V610-T625 HydrophobicContact CG2-CG2 3.71Å; V610-A627 HydrophobicContact CB-CB 3.78Å; V610-A627 HydrophobicContact CG2-CB 3.64Å; V610-V649 HydrophobicContact CG2-CG1 4.39Å
611	F	87.4	Confident	80.3	Confident	37 Å²	37	50.1 Å²	50.1	16%	0.162	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	41	-173.5	-67.2	-68.5	0	0	0	114.3	E594 Q597 V613 A627 K629 I647	E594-F611 WeakPolarHBondContact O-CE1 3.37Å; E594-F611 VanDerWaalsContact O-CZ 3.3Å; E594-F611 WeakPolarHBondContact O-CZ 3.38Å; Q597-F611 HydrophobicContact CB-CD2 4.05Å; Q597-F611 HydrophobicContact CB-CE2 3.83Å; Q597-F611 HydrophobicContact CB-CZ 4.38Å; Q597-F611 HydrophobicContact CG-CD1 4.36Å; Q597-F611 HydrophobicContact CG-CD2 3.9Å; Q597-F611 HydrophobicContact CG-CE1 4Å; Q597-F611 HydrophobicContact CG-CE2 3.51Å; Q597-F611 HydrophobicContact CG-CG 4.31Å; Q597-F611 HydrophobicContact CG-CZ 3.56Å; Q597-F611 VanDerWaalsContact NE2-CD1 3.28Å; F611-V613 PolarHBondContact O-N 3.39Å; F611-A627 HydrophobicContact CD2-CB 3.76Å; F611-A627 HydrophobicContact CE2-CB 4.34Å; F611-K629 HydrophobicContact CE1-CD 4.25Å; F611-K629 HydrophobicContact CE2-CB 4.38Å; F611-K629 HydrophobicContact CZ-CB 4.32Å; F611-K629 HydrophobicContact CZ-CD 4.42Å; F611-I647 HydrophobicContact CB-CD1 3.5Å; F611-I647 HydrophobicContact CD2-CD1 3.84Å; F611-I647 HydrophobicContact CG-CD1 4.04Å
612	N	85.7	Confident	80.2	Confident	105 Å²	105	53.1 Å²	53.1	56%	0.561	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	10.5	-174.5	-47.2	-42.7	0	0	0	115.1	N609 V610 Q664	N609-N612 WeakPolarHBondContact OD1-CA 3.38Å; N609-N612 PolarHBondContact OD1-N 3.09Å; N609-N612 VanDerWaalsContact OD1-N 3.16Å; V610-N612 PolarHBondContact O-N 3.2Å; N612-Q664 VanDerWaalsContact CB-OE1 3.27Å; N612-Q664 PolarHBondContact ND2-OE1 2.68Å
613	V	89.1	Confident	80.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.8	165.6	-177.8	0	0	0	0	107.6	N609 V610 F611 I615 I647 V649 I661 N662 F663	N609-V613 WeakPolarHBondContact CA-O 3.08Å; N609-V613 PolarHBondContact OD1-O 3.12Å; V610-V613 HydrophobicContact CG2-CB 4.46Å; V610-V613 PolarHBondContact N-O 3.01Å; V610-V613 WeakPolarHBondContact O-CA 3.28Å; V610-V613 VanDerWaalsContact O-CB 3.3Å; V610-V613 WeakPolarHBondContact O-CB 3.16Å; V610-V613 PolarHBondContact O-N 3.39Å; F611-V613 PolarHBondContact O-N 3.39Å; V613-I615 HydrophobicContact CG1-CG1 4.34Å; V613-I647 HydrophobicContact CG2-CD1 3.87Å; V613-I647 HydrophobicContact CG2-CG1 3.98Å; V613-V649 HydrophobicContact CB-CG2 4.3Å; V613-V649 HydrophobicContact CG1-CG2 4.08Å; V613-V649 HydrophobicContact CG2-CG2 4.16Å; V613-I661 HydrophobicContact CG1-CG2 3.59Å; V613-N662 WeakPolarHBondContact CA-O 3.3Å; V613-N662 WeakPolarHBondContact CG1-O 3.33Å; V613-F663 HydrophobicContact CG1-CD1 4.09Å; V613-F663 HydrophobicContact CG1-CE1 4.46Å; V613-F663 HydrophobicContact CG2-CD1 4.31Å
614	T	90.5	Very high	81.5	Confident	42 Å²	42	44.4 Å²	44.4	26%	0.258	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.6	-179.7	-50.9	0	0	0	0	109	N607 I608 N662	N607-T614 WeakPolarHBondContact OD1-CG2 3.45Å; I608-T614 CarbonylContact O-C 3.53Å; I608-T614 WeakPolarHBondContact O-CA 3.48Å; T614-N662 PolarHBondContact N-O 3.46Å; T614-N662 PolarHBondContact O-N 2.8Å
615	I	89.2	Confident	82.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.8	179.8	-58.8	176.1	0	0	0	108.3	N607 I608 V610 V613 V617 T625 V649 I659 S660 I661	N607-I615 CarbonylContact C-O 3.58Å; N607-I615 WeakPolarHBondContact CA-O 3.3Å; N607-I615 PolarHBondContact OD1-O 2.77Å; I608-I615 HydrophobicContact CB-CB 4.35Å; I608-I615 PolarHBondContact N-O 3.37Å; I608-I615 PolarHBondContact O-N 2.59Å; V610-I615 HydrophobicContact CG2-CD1 4.38Å; V613-I615 HydrophobicContact CG1-CG1 4.34Å; I615-V617 HydrophobicContact CG2-CG2 4.14Å; I615-T625 HydrophobicContact CD1-CG2 3.17Å; I615-V649 HydrophobicContact CD1-CG1 3.4Å; I615-V649 VanDerWaalsContact CD1-CG1 3.4Å; I615-V649 HydrophobicContact CG1-CG1 4.42Å; I615-I659 HydrophobicContact CG2-CD1 3.62Å; I615-I659 HydrophobicContact CG2-CG1 3.78Å; I615-S660 WeakPolarHBondContact CA-O 3.34Å; I615-I661 HydrophobicContact CG1-CG1 4.46Å; I615-I661 HydrophobicContact CG1-CG2 4.23Å
616	S	88.4	Confident	83.6	Confident	51 Å²	51	36.3 Å²	36.3	36%	0.357	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.3	177.8	-64.3	0	0	0	0	109.7	C606 S660	C606-S616 VanDerWaalsContact O-CA 3.28Å; C606-S616 WeakPolarHBondContact O-CA 3.49Å; S616-S660 PolarHBondContact N-O 3.27Å; S616-S660 PolarHBondContact O-N 2.82Å
617	V	85.7	Confident	84.2	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.4	175	-178.6	0	0	0	0	109	C606 I615 V623 A656 I659 F708	C606-V617 HydrophobicContact CB-CB 4.16Å; C606-V617 PolarHBondContact N-O 2.76Å; C606-V617 VanDerWaalsContact N-O 3.08Å; C606-V617 PolarHBondContact O-N 3.11Å; I615-V617 HydrophobicContact CG2-CG2 4.14Å; V617-V623 HydrophobicContact CB-CG2 4.16Å; V617-V623 HydrophobicContact CG1-CG2 3.99Å; V617-V623 HydrophobicContact CG2-CG1 4.31Å; V617-V623 HydrophobicContact CG2-CG2 4.09Å; V617-A656 HydrophobicContact CG1-CB 4.26Å; V617-I659 HydrophobicContact CG2-CB 4.39Å; V617-I659 HydrophobicContact CG2-CD1 4.18Å; V617-I659 HydrophobicContact CG2-CG1 3.92Å; V617-F708 HydrophobicContact CG1-CZ 3.92Å; V617-F708 HydrophobicContact CG2-CE1 4.16Å; V617-F708 HydrophobicContact CG2-CZ 4.17Å
618	P	74.8	Confident	84.6	Confident	85 Å²	85	30.8 Å²	30.8	55%	0.552	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	128	172.3	30	-30.4	0	0	0	110.6	D658	P618-D658 WeakPolarHBondContact CD-O 3.38Å; P618-D658 HydrophobicContact CG-CB 4.26Å
619	G	65.6	Low	84.8	Confident	33 Å²	33	34.1 Å²	34.1	34%	0.34	21%	0.208	S	C	.	.	S	Bend	trans	108.7	139.2	176.7	0	0	0	0	0	112.9	S604 V621	S604-G619 CarbonylContact O-C 3.22Å; S604-G619 VanDerWaalsContact O-CA 3.29Å; S604-G619 WeakPolarHBondContact O-CA 3.23Å; S604-G619 PolarHBondContact O-N 3.26Å; G619-V621 PolarHBondContact O-N 2.92Å
620	G	63.2	Low	84.7	Confident	56 Å²	56	32.3 Å²	32.3	58%	0.577	20%	0.197	S	C	*	.	S	Bend	trans	-72.9	68.5	-176.2	0	0	0	0	0	113.3	S604	S604-G620 VanDerWaalsContact CA-CA 3.47Å; S604-G620 PolarHBondContact O-N 2.98Å
621	V	70.9	Confident	84.7	Confident	21 Å²	21	32.2 Å²	32.2	13%	0.127	20%	0.196	C	C	.	.			trans	-112.8	144.1	-179.2	-174.3	0	0	0	0	109.1	G619 V623 A653 A656	G619-V621 PolarHBondContact O-N 2.92Å; V621-V623 PolarHBondContact O-N 2.84Å; V621-V623 VanDerWaalsContact O-N 3.1Å; V621-A653 HydrophobicContact CG1-CB 3.97Å; V621-A656 HydrophobicContact CB-CB 4.41Å; V621-A656 HydrophobicContact CG2-CB 4.01Å
622	N	80	Confident	84.5	Confident	86 Å²	86	31.5 Å²	31.5	46%	0.46	19%	0.194	S	C	.	.			trans	-66.3	105.6	168.8	-77.6	-35.6	0	0	0	109.4	C601 N602	C601-N622 WeakPolarHBondContact O-CA 3.42Å; N602-N622 WeakPolarHBondContact CB-OD1 3.46Å; N602-N622 PolarHBondContact ND2-OD1 2.72Å; N602-N622 PolarHBondContact OD1-OD1 2.81Å
623	V	85.7	Confident	84.4	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.6	176.9	-176.2	0	0	0	0	108.6	L600 C601 I608 V617 V621 A653 F708	L600-V623 VanDerWaalsContact CA-O 3.31Å; L600-V623 WeakPolarHBondContact CA-O 3.4Å; C601-V623 PolarHBondContact N-O 3.08Å; C601-V623 VanDerWaalsContact N-O 3.07Å; C601-V623 PolarHBondContact O-N 2.9Å; I608-V623 HydrophobicContact CD1-CG1 4.27Å; V617-V623 HydrophobicContact CB-CG2 4.16Å; V617-V623 HydrophobicContact CG1-CG2 3.99Å; V617-V623 HydrophobicContact CG2-CG1 4.31Å; V617-V623 HydrophobicContact CG2-CG2 4.09Å; V621-V623 PolarHBondContact O-N 2.84Å; V621-V623 VanDerWaalsContact O-N 3.1Å; V623-A653 HydrophobicContact CG2-CB 4.08Å; V623-F708 HydrophobicContact CG1-CE1 4.18Å; V623-F708 HydrophobicContact CG2-CE1 4.41Å
624	K	88.8	Confident	84.1	Confident	45 Å²	45	31.7 Å²	31.7	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.1	166.5	-62	178.6	-177.8	177.3	0	108.3	I582 K583 S585 L600 T652	I582-K624 HydrophobicContact CG2-CD 4.45Å; I582-K624 PolarHBondContact O-NZ 3.45Å; I582-K624 VanDerWaalsContact O-NZ 3.1Å; K583-K624 PolarHBondContact O-NZ 3.22Å; S585-K624 PolarHBondContact O-NZ 3.3Å; L600-K624 HydrophobicContact CB-CG 4.38Å; K624-T652 PolarHBondContact N-O 3.36Å; K624-T652 PolarHBondContact O-N 2.78Å; K624-T652 PolarHBondContact O-OG1 3.49Å
625	T	89.8	Confident	83.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136	179.1	-68.6	0	0	0	0	109.5	V598 D599 I608 V610 I615 V649 S650	V598-T625 CarbonylContact C-O 3.45Å; V598-T625 VanDerWaalsContact CA-O 3.28Å; V598-T625 WeakPolarHBondContact CA-O 3.18Å; D599-T625 PolarHBondContact N-O 3.45Å; D599-T625 PolarHBondContact O-N 3.24Å; I608-T625 WeakPolarHBondContact CD1-OG1 3.43Å; I608-T625 HydrophobicContact CG2-CG2 4.15Å; V610-T625 HydrophobicContact CG1-CG2 4.23Å; V610-T625 HydrophobicContact CG2-CG2 3.71Å; I615-T625 HydrophobicContact CD1-CG2 3.17Å; T625-V649 HydrophobicContact CG2-CG1 4Å; T625-S650 CarbonylContact C-O 3.56Å; T625-S650 VanDerWaalsContact CA-O 3.31Å; T625-S650 WeakPolarHBondContact CA-O 3.49Å
626	T	92.1	Very high	82.6	Confident	4 Å²	4	32 Å²	32	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.4	174.8	-56.1	0	0	0	0	109.8	I582 L596 Q597 V598 F628 V649 S650	I582-T626 HydrophobicContact CD1-CG2 3.72Å; I582-T626 VanDerWaalsContact CD1-OG1 3.3Å; I582-T626 WeakPolarHBondContact CD1-OG1 3.28Å; L596-T626 HydrophobicContact CD1-CG2 3.52Å; L596-T626 HydrophobicContact CG-CG2 4.35Å; Q597-T626 CarbonylContact O-C 3.55Å; Q597-T626 WeakPolarHBondContact O-CA 3.43Å; V598-T626 HydrophobicContact CG2-CG2 4.07Å; T626-F628 HydrophobicContact CG2-CD2 4.24Å; T626-F628 HydrophobicContact CG2-CE1 4.04Å; T626-F628 HydrophobicContact CG2-CE2 3.68Å; T626-F628 HydrophobicContact CG2-CZ 3.56Å; T626-V649 CarbonylContact O-C 3.56Å; T626-V649 WeakPolarHBondContact O-CA 3.46Å; T626-S650 PolarHBondContact N-O 3.48Å; T626-S650 PolarHBondContact O-N 3.23Å
627	A	93.1	Very high	81.4	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.1	174.2	0	0	0	0	0	110.9	L596 Q597 V610 F611 I647 I648 V649	L596-A627 WeakPolarHBondContact CA-O 3.31Å; Q597-A627 PolarHBondContact N-O 3.35Å; Q597-A627 PolarHBondContact O-N 2.89Å; V610-A627 HydrophobicContact CB-CB 3.78Å; V610-A627 HydrophobicContact CG2-CB 3.64Å; F611-A627 HydrophobicContact CD2-CB 3.76Å; F611-A627 HydrophobicContact CE2-CB 4.34Å; A627-I647 HydrophobicContact CB-CD1 4Å; A627-I648 WeakPolarHBondContact CA-O 3.37Å; A627-V649 HydrophobicContact CB-CG2 4.02Å
628	F	93.6	Very high	80.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	122	-179	-57.3	-90	0	0	0	110.3	L550 F574 M575 V578 E579 L596 T626 L631 I647 I648	L550-F628 HydrophobicContact CD1-CB 4.22Å; L550-F628 HydrophobicContact CD1-CD1 3.96Å; F574-F628 HydrophobicContact CE1-CD1 4.45Å; F574-F628 HydrophobicContact CE1-CE1 4.43Å; M575-F628 HydrophobicContact CG-CE2 4.21Å; M575-F628 HydrophobicContact CG-CZ 4.43Å; V578-F628 HydrophobicContact CB-CE1 4.21Å; V578-F628 HydrophobicContact CB-CZ 4.37Å; V578-F628 HydrophobicContact CG1-CE1 3.85Å; V578-F628 HydrophobicContact CG1-CZ 4.09Å; E579-F628 HydrophobicContact CG-CE2 4.22Å; E579-F628 HydrophobicContact CG-CZ 4.14Å; L596-F628 HydrophobicContact CD1-CD1 3.34Å; L596-F628 HydrophobicContact CD1-CE1 3.42Å; L596-F628 VanDerWaalsContact CD1-CE1 3.42Å; L596-F628 HydrophobicContact CD1-CG 4.11Å; L596-F628 HydrophobicContact CD1-CZ 4.23Å; T626-F628 HydrophobicContact CG2-CD2 4.24Å; T626-F628 HydrophobicContact CG2-CE1 4.04Å; T626-F628 HydrophobicContact CG2-CE2 3.68Å; T626-F628 HydrophobicContact CG2-CZ 3.56Å; F628-L631 HydrophobicContact CB-CB 3.72Å; F628-L631 HydrophobicContact CB-CD2 3.66Å; F628-L631 HydrophobicContact CB-CG 4.36Å; F628-L631 HydrophobicContact CD1-CD2 3.96Å; F628-L631 HydrophobicContact CD2-CD2 4Å; F628-L631 HydrophobicContact CG-CD2 3.62Å; F628-I647 WeakPolarHBondContact O-CB 3.18Å; F628-I648 HydrophobicContact CB-CB 4.45Å; F628-I648 HydrophobicContact CD2-CG2 4.41Å; F628-I648 PolarHBondContact N-O 3.3Å; F628-I648 PolarHBondContact O-N 3.17Å
629	K	90.1	Very high	79.7	Confident	73 Å²	73	40.3 Å²	40.3	32%	0.317	22%	0.222	S	C	.	.	S	Bend	trans	-91.8	142.5	174	-162.5	-179.1	179.8	-173.6	0	109.5	N595 F611 L631 I647	N595-K629 HydrophobicContact CB-CB 4.17Å; N595-K629 PolarHBondContact O-N 3.35Å; F611-K629 HydrophobicContact CE1-CD 4.25Å; F611-K629 HydrophobicContact CE2-CB 4.38Å; F611-K629 HydrophobicContact CZ-CB 4.32Å; F611-K629 HydrophobicContact CZ-CD 4.42Å; K629-L631 PolarHBondContact O-N 3.2Å; K629-L631 VanDerWaalsContact O-N 3.09Å; K629-I647 HydrophobicContact CG-CG2 4.46Å
630	Q	87.6	Confident	79.9	Confident	34 Å²	34	45.7 Å²	45.7	16%	0.159	24%	0.243	C	C	.	.	S	Bend	trans	70.4	-18.2	-178.1	-49.5	-64	-35	0	0	116	D632 K633 Y634	Q630-D632 VanDerWaalsContact CA-OD1 3.22Å; Q630-D632 WeakPolarHBondContact CA-OD1 3.03Å; Q630-D632 PolarHBondContact N-OD1 2.96Å; Q630-D632 PolarHBondContact O-N 3.27Å; Q630-K633 WeakPolarHBondContact O-CB 3.35Å; Q630-K633 PolarHBondContact O-N 2.96Å; Q630-K633 VanDerWaalsContact O-N 3.1Å; Q630-Y634 HydrophobicContact CB-CE2 4.32Å
631	L	88.3	Confident	80.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.8	-26.7	179	-174.3	64.6	0	0	0	112.5	L550 A571 F574 M575 F628 K629 K633 Y634 L635 I648	L550-L631 HydrophobicContact CD2-CB 4.14Å; L550-L631 HydrophobicContact CD2-CD1 4.06Å; A571-L631 HydrophobicContact CB-CD1 4.12Å; F574-L631 HydrophobicContact CD1-CD1 4.11Å; M575-L631 HydrophobicContact CB-CD2 3.98Å; M575-L631 HydrophobicContact CG-CD2 3.87Å; M575-L631 HydrophobicContact SD-CD2 3.97Å; F628-L631 HydrophobicContact CB-CB 3.72Å; F628-L631 HydrophobicContact CB-CD2 3.66Å; F628-L631 HydrophobicContact CB-CG 4.36Å; F628-L631 HydrophobicContact CD1-CD2 3.96Å; F628-L631 HydrophobicContact CD2-CD2 4Å; F628-L631 HydrophobicContact CG-CD2 3.62Å; K629-L631 PolarHBondContact O-N 3.2Å; K629-L631 VanDerWaalsContact O-N 3.09Å; L631-K633 PolarHBondContact O-N 3.18Å; L631-K633 VanDerWaalsContact O-N 3.15Å; L631-Y634 HydrophobicContact CD1-CD2 4.32Å; L631-Y634 PolarHBondContact O-N 3.16Å; L631-Y634 VanDerWaalsContact O-N 3.08Å; L631-L635 PolarHBondContact O-N 3.22Å; L631-I648 HydrophobicContact CB-CD1 4.04Å; L631-I648 HydrophobicContact CD2-CD1 3.98Å; L631-I648 HydrophobicContact CG-CD1 3.79Å
632	D	83.4	Confident	81.3	Confident	22 Å²	22	49.4 Å²	49.4	12%	0.118	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-54.4	-28.2	174	55.9	-65.8	0	0	0	113.8	Q630 V644 I648	Q630-D632 VanDerWaalsContact CA-OD1 3.22Å; Q630-D632 WeakPolarHBondContact CA-OD1 3.03Å; Q630-D632 PolarHBondContact N-OD1 2.96Å; Q630-D632 PolarHBondContact O-N 3.27Å; D632-V644 HydrophobicContact CB-CB 4.31Å; D632-V644 HydrophobicContact CB-CG1 3.83Å; D632-I648 HydrophobicContact CB-CG1 4.25Å
633	K	82.4	Confident	81.6	Confident	88 Å²	88	48 Å²	48	38%	0.383	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-82.7	-21.5	-179.7	-60.3	176.9	169	-175.8	0	114	E555 Q630 L631	E555-K633 VanDerWaalsContact CD-NZ 3.27Å; E555-K633 VanDerWaalsContact OE1-CD 3.29Å; E555-K633 WeakPolarHBondContact OE1-CD 3.48Å; E555-K633 IonicContact OE1-NZ 2.79Å; E555-K633 PolarHBondContact OE1-NZ 3.44Å; E555-K633 IonicContact OE2-NZ 3.23Å; E555-K633 PolarHBondContact OE2-NZ 3.32Å; E555-K633 VanDerWaalsContact OE2-NZ 3.07Å; Q630-K633 WeakPolarHBondContact O-CB 3.35Å; Q630-K633 PolarHBondContact O-N 2.96Å; Q630-K633 VanDerWaalsContact O-N 3.1Å; L631-K633 PolarHBondContact O-N 3.18Å; L631-K633 VanDerWaalsContact O-N 3.15Å
634	Y	83.6	Confident	81.7	Confident	21 Å²	21	48.8 Å²	48.8	8%	0.082	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-13.7	-171.8	-49.5	-43.2	0	0	0	112.9	L550 E555 W558 A571 Q630 L631	L550-Y634 HydrophobicContact CD2-CD2 4.22Å; L550-Y634 HydrophobicContact CD2-CE2 4.01Å; E555-Y634 WeakPolarHBondContact CA-OH 3.36Å; E555-Y634 HydrophobicContact CB-CE1 4.36Å; E555-Y634 HydrophobicContact CG-CE1 4.01Å; W558-Y634 HydrophobicContact CB-CD1 3.49Å; W558-Y634 VanDerWaalsContact CB-CD1 3.49Å; W558-Y634 HydrophobicContact CB-CD2 4.29Å; W558-Y634 HydrophobicContact CB-CE1 3.75Å; W558-Y634 HydrophobicContact CB-CG 3.8Å; W558-Y634 AromaticContact CD1-CE1 3.87Å; W558-Y634 AromaticContact CD1-CE2 3.64Å; W558-Y634 AromaticContact CD1-CZ 3.54Å; W558-Y634 AromaticContact CD2-CD2 3.84Å; W558-Y634 HydrophobicContact CD2-CD2 3.84Å; W558-Y634 HydrophobicContact CD2-CE2 4.13Å; W558-Y634 HydrophobicContact CD2-CG 4.13Å; W558-Y634 HydrophobicContact CE3-CD2 4.3Å; W558-Y634 HydrophobicContact CE3-CG 4.45Å; W558-Y634 AromaticContact CG-CD1 3.88Å; W558-Y634 HydrophobicContact CG-CD1 3.88Å; W558-Y634 AromaticContact CG-CD2 3.82Å; W558-Y634 HydrophobicContact CG-CD2 3.82Å; W558-Y634 AromaticContact CG-CE1 3.9Å; W558-Y634 HydrophobicContact CG-CE1 3.9Å; W558-Y634 AromaticContact CG-CE2 3.87Å; W558-Y634 HydrophobicContact CG-CE2 3.87Å; W558-Y634 AromaticContact CG-CG 3.85Å; W558-Y634 HydrophobicContact CG-CG 3.85Å; W558-Y634 AromaticContact CG-CZ 3.92Å; W558-Y634 AromaticContact NE1-CE2 3.77Å; A571-Y634 VanDerWaalsContact CB-O 3.25Å; A571-Y634 WeakPolarHBondContact CB-O 3.36Å; Q630-Y634 HydrophobicContact CB-CE2 4.32Å; L631-Y634 HydrophobicContact CD1-CD2 4.32Å; L631-Y634 PolarHBondContact O-N 3.16Å; L631-Y634 VanDerWaalsContact O-N 3.08Å
635	L	79.3	Confident	81.7	Confident	11 Å²	11	46.7 Å²	46.7	6%	0.058	23%	0.229	C	C	.	.	S	Bend	trans	-73.2	137.2	177.6	-74.7	-178.5	0	0	0	111.6	A571 E572 L631 I648 W680 F687	A571-L635 HydrophobicContact CB-CD2 4.05Å; E572-L635 HydrophobicContact CB-CD2 4.45Å; L631-L635 PolarHBondContact O-N 3.22Å; L635-I648 HydrophobicContact CD1-CD1 3.26Å; L635-I648 HydrophobicContact CG-CD1 4.05Å; L635-W680 HydrophobicContact CB-CH2 4.47Å; L635-W680 HydrophobicContact CB-CZ3 4.23Å; L635-W680 HydrophobicContact CD1-CD2 4.34Å; L635-W680 HydrophobicContact CD1-CE3 3.9Å; L635-W680 HydrophobicContact CD1-CZ3 4.14Å; L635-W680 HydrophobicContact CD2-CH2 4.38Å; L635-W680 HydrophobicContact CD2-CZ2 4.34Å; L635-W680 HydrophobicContact CD2-CZ3 4.5Å; L635-F687 HydrophobicContact CD1-CE1 4.34Å; L635-F687 HydrophobicContact CD1-CE2 4.4Å; L635-F687 HydrophobicContact CD1-CZ 3.67Å
636	P	69.4	Low	81.8	Confident	38 Å²	38	46.7 Å²	46.7	25%	0.247	23%	0.229	C	C	.	.	S	Bend	trans	-75	161.6	-179.3	34	-37.9	0	0	0	111.5	S569 W680	S569-P636 VanDerWaalsContact OG-CD 3.25Å; S569-P636 WeakPolarHBondContact OG-CD 3.23Å; P636-W680 HydrophobicContact CG-CH2 3.92Å; P636-W680 HydrophobicContact CG-CZ2 4.35Å
637	H	61.3	Low	81.8	Confident	135 Å²	135	47.6 Å²	47.6	63%	0.625	23%	0.233	S	C	*	.			trans	56.1	79.8	168.4	-66.4	-68.3	0	0	0	116.1
638	L	62	Low	81.7	Confident	63 Å²	63	47.7 Å²	47.7	33%	0.33	23%	0.234	S	C	.	.			trans	-89.6	129.9	154.1	-78.6	141	0	0	0	109	N640 V644 F687 L714	L638-N640 PolarHBondContact O-N 2.87Å; L638-V644 HydrophobicContact CD1-CG2 3.81Å; L638-V644 HydrophobicContact CD2-CG2 3.46Å; L638-V644 VanDerWaalsContact CD2-CG2 3.46Å; L638-V644 HydrophobicContact CG-CG2 4.13Å; L638-F687 HydrophobicContact CD2-CD2 4.44Å; L638-F687 HydrophobicContact CD2-CE2 4.39Å; L638-L714 HydrophobicContact CD2-CD2 3.78Å
639	D	64.1	Low	81.7	Confident	116 Å²	116	47.7 Å²	47.7	62%	0.62	23%	0.234	S	C	*	.			trans	-47.4	131.9	168.2	-112	-19.2	0	0	0	108.9	K641 S642	D639-K641 PolarHBondContact O-N 2.85Å; D639-S642 PolarHBondContact O-N 2.92Å
640	N	69.4	Low	81.8	Confident	145 Å²	145	44.4 Å²	44.4	78%	0.775	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-19.1	-178.1	-91.2	-15.6	0	0	0	113.5	L638 K717	L638-N640 PolarHBondContact O-N 2.87Å; N640-K717 VanDerWaalsContact O-CD 3.31Å; N640-K717 WeakPolarHBondContact O-CD 3.16Å; N640-K717 WeakPolarHBondContact O-CE 3.34Å; N640-K717 PolarHBondContact O-NZ 3.08Å
641	K	78.4	Confident	81.9	Confident	152 Å²	152	42.8 Å²	42.8	66%	0.661	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.5	-179.5	-60.2	-176.3	178.6	-176	0	115.1	D639 K717	D639-K641 PolarHBondContact O-N 2.85Å; K641-K717 PolarHBondContact O-N 2.98Å
642	S	84.6	Confident	81.8	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.4	-176.1	-47	0	0	0	0	111.7	D639 L715 K717	D639-S642 PolarHBondContact O-N 2.92Å; S642-L715 CarbonylContact C-O 3.56Å; S642-L715 VanDerWaalsContact CA-O 3.27Å; S642-L715 WeakPolarHBondContact CA-O 3.38Å; S642-K717 WeakPolarHBondContact O-CE 3.44Å
643	E	86.2	Confident	81.7	Confident	55 Å²	55	44.9 Å²	44.9	26%	0.257	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.1	172.2	59.1	174	-167.1	0	0	110.4	N645 K667 L714 L715	E643-N645 PolarHBondContact O-N 3.49Å; E643-K667 IonicContact OE1-NZ 2.77Å; E643-K667 PolarHBondContact OE1-NZ 2.91Å; E643-K667 IonicContact OE2-NZ 3.38Å; E643-K667 PolarHBondContact OE2-NZ 2.87Å; E643-L714 CarbonylContact O-C 3.48Å; E643-L714 VanDerWaalsContact O-CA 3.3Å; E643-L714 WeakPolarHBondContact O-CA 3.39Å; E643-L715 HydrophobicContact CG-CB 4.46Å; E643-L715 PolarHBondContact N-O 2.99Å; E643-L715 PolarHBondContact O-N 2.86Å
644	V	88	Confident	81	Confident	19 Å²	19	48 Å²	48	12%	0.115	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.4	173.7	-171.5	0	0	0	0	108.9	D632 L638 S646 F687 A712 L714	D632-V644 HydrophobicContact CB-CB 4.31Å; D632-V644 HydrophobicContact CB-CG1 3.83Å; L638-V644 HydrophobicContact CD1-CG2 3.81Å; L638-V644 HydrophobicContact CD2-CG2 3.46Å; L638-V644 VanDerWaalsContact CD2-CG2 3.46Å; L638-V644 HydrophobicContact CG-CG2 4.13Å; V644-S646 WeakPolarHBondContact CG1-O 3.39Å; V644-F687 HydrophobicContact CG2-CE2 4.36Å; V644-A712 HydrophobicContact CG1-CB 4.4Å; V644-L714 HydrophobicContact CB-CD2 4.2Å; V644-L714 HydrophobicContact CG1-CD2 4.5Å; V644-L714 HydrophobicContact CG2-CD2 3.76Å
645	N	89.8	Confident	80	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.			trans	-125.3	18.3	-179.4	-162.7	33.8	0	0	0	112.9	E643 M665 I666 K667 L713 L715	E643-N645 PolarHBondContact O-N 3.49Å; N645-M665 WeakPolarHBondContact O-CA 3.17Å; N645-I666 PolarHBondContact O-N 2.82Å; N645-I666 PolarHBondContact OD1-N 2.9Å; N645-K667 PolarHBondContact ND2-O 2.93Å; N645-K667 WeakPolarHBondContact OD1-CA 3.07Å; N645-K667 WeakPolarHBondContact OD1-CB 3.15Å; N645-K667 PolarHBondContact OD1-N 3.38Å; N645-K667 PolarHBondContact OD1-O 3.41Å; N645-L713 PolarHBondContact N-O 2.95Å; N645-L715 HydrophobicContact CB-CB 3.75Å
646	S	91.1	Very high	79.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-145	168.7	173.5	72	0	0	0	0	111.3	V644 L713	V644-S646 WeakPolarHBondContact CG1-O 3.39Å; S646-L713 PolarHBondContact OG-N 3.32Å
647	I	91.8	Very high	79.5	Confident	24 Å²	24	57.8 Å²	57.8	12%	0.123	30%	0.299	C	S	.	.			trans	-70.3	164.2	161.9	63.4	175.4	0	0	0	110.7	F611 V613 A627 F628 K629 V649	F611-I647 HydrophobicContact CB-CD1 3.5Å; F611-I647 HydrophobicContact CD2-CD1 3.84Å; F611-I647 HydrophobicContact CG-CD1 4.04Å; V613-I647 HydrophobicContact CG2-CD1 3.87Å; V613-I647 HydrophobicContact CG2-CG1 3.98Å; A627-I647 HydrophobicContact CB-CD1 4Å; F628-I647 WeakPolarHBondContact O-CB 3.18Å; K629-I647 HydrophobicContact CG-CG2 4.46Å; I647-V649 HydrophobicContact CD1-CG2 4.24Å; I647-V649 HydrophobicContact CG1-CG2 3.97Å
648	I	92.6	Very high	80.7	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.9	175.4	-56	-177.3	0	0	0	108.9	M575 A627 F628 L631 D632 L635 F711	M575-I648 HydrophobicContact SD-CG2 4.03Å; A627-I648 WeakPolarHBondContact CA-O 3.37Å; F628-I648 HydrophobicContact CB-CB 4.45Å; F628-I648 HydrophobicContact CD2-CG2 4.41Å; F628-I648 PolarHBondContact N-O 3.3Å; F628-I648 PolarHBondContact O-N 3.17Å; L631-I648 HydrophobicContact CB-CD1 4.04Å; L631-I648 HydrophobicContact CD2-CD1 3.98Å; L631-I648 HydrophobicContact CG-CD1 3.79Å; D632-I648 HydrophobicContact CB-CG1 4.25Å; L635-I648 HydrophobicContact CD1-CD1 3.26Å; L635-I648 HydrophobicContact CG-CD1 4.05Å; I648-F711 WeakPolarHBondContact CA-O 3.49Å
649	V	93.4	Very high	82.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116.9	-179.4	-179.9	0	0	0	0	109.6	V610 V613 I615 T625 T626 A627 I647 F663 F711	V610-V649 HydrophobicContact CG2-CG1 4.39Å; V613-V649 HydrophobicContact CB-CG2 4.3Å; V613-V649 HydrophobicContact CG1-CG2 4.08Å; V613-V649 HydrophobicContact CG2-CG2 4.16Å; I615-V649 HydrophobicContact CD1-CG1 3.4Å; I615-V649 VanDerWaalsContact CD1-CG1 3.4Å; I615-V649 HydrophobicContact CG1-CG1 4.42Å; T625-V649 HydrophobicContact CG2-CG1 4Å; T626-V649 CarbonylContact O-C 3.56Å; T626-V649 WeakPolarHBondContact O-CA 3.46Å; A627-V649 HydrophobicContact CB-CG2 4.02Å; I647-V649 HydrophobicContact CD1-CG2 4.24Å; I647-V649 HydrophobicContact CG1-CG2 3.97Å; V649-F663 HydrophobicContact CB-CE1 4.28Å; V649-F663 HydrophobicContact CG2-CE1 4.08Å; V649-F711 PolarHBondContact N-O 3.45Å; V649-F711 PolarHBondContact O-N 3.21Å
650	S	92.3	Very high	83.4	Confident	3 Å²	3	48 Å²	48	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	134	175.9	-166	0	0	0	0	111	E579 T625 T626 S709	E579-S650 WeakPolarHBondContact OE1-CB 2.99Å; E579-S650 PolarHBondContact OE1-OG 2.98Å; T625-S650 CarbonylContact C-O 3.56Å; T625-S650 VanDerWaalsContact CA-O 3.31Å; T625-S650 WeakPolarHBondContact CA-O 3.49Å; T626-S650 PolarHBondContact N-O 3.48Å; T626-S650 PolarHBondContact O-N 3.23Å; S650-S709 WeakPolarHBondContact CA-O 3.47Å
651	A	89.3	Confident	84.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134	172.6	0	0	0	0	0	109.3	I659 F708 S709 F711	A651-I659 HydrophobicContact CB-CD1 3.49Å; A651-I659 VanDerWaalsContact CB-CD1 3.49Å; A651-F708 HydrophobicContact CB-CD1 3.79Å; A651-F708 HydrophobicContact CB-CE1 4.25Å; A651-F708 CarbonylContact O-C 3.58Å; A651-F708 VanDerWaalsContact O-CB 3.32Å; A651-F708 WeakPolarHBondContact O-CB 3.14Å; A651-S709 PolarHBondContact N-O 3.07Å; A651-S709 VanDerWaalsContact N-O 3.09Å; A651-S709 PolarHBondContact O-N 3.01Å; A651-F711 HydrophobicContact CB-CE2 4.45Å
652	T	85.3	Confident	85.3	Confident	38 Å²	38	37.6 Å²	37.6	23%	0.233	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.3	175.9	58.5	0	0	0	0	109.9	K624	K624-T652 PolarHBondContact N-O 3.36Å; K624-T652 PolarHBondContact O-N 2.78Å; K624-T652 PolarHBondContact O-OG1 3.49Å
653	A	82.1	Confident	85.7	Confident	29 Å²	29	37.8 Å²	37.8	24%	0.24	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.6	178.5	0	0	0	0	0	110.3	V621 V623 F708	V621-A653 HydrophobicContact CG1-CB 3.97Å; V623-A653 HydrophobicContact CG2-CB 4.08Å; A653-F708 HydrophobicContact CB-CD1 3.64Å; A653-F708 HydrophobicContact CB-CD2 4Å; A653-F708 HydrophobicContact CB-CE1 3.47Å; A653-F708 VanDerWaalsContact CB-CE1 3.47Å; A653-F708 HydrophobicContact CB-CE2 3.88Å; A653-F708 HydrophobicContact CB-CG 3.9Å; A653-F708 HydrophobicContact CB-CZ 3.61Å
654	E	66.7	Low	85.9	Confident	152 Å²	152	40.1 Å²	40.1	71%	0.71	22%	0.215	S	C	*	.	S	Bend	trans	-90.7	-24.1	-176.3	-71.4	-177.3	165.1	0	0	114.3
655	N	63.4	Low	85.9	Confident	145 Å²	145	41.7 Å²	41.7	78%	0.775	22%	0.222	S	C	*	.	S	Bend	trans	-153.7	31.6	-170.9	-76.5	-49.9	0	0	0	115.2
656	A	65.9	Low	85.7	Confident	16 Å²	16	46.3 Å²	46.3	13%	0.132	25%	0.246	C	C	.	.			trans	-124.2	152.8	172.6	0	0	0	0	0	109.9	V617 V621 F708	V617-A656 HydrophobicContact CG1-CB 4.26Å; V621-A656 HydrophobicContact CB-CB 4.41Å; V621-A656 HydrophobicContact CG2-CB 4.01Å; A656-F708 HydrophobicContact CB-CE2 3.51Å; A656-F708 HydrophobicContact CB-CZ 3.74Å; A656-F708 WeakPolarHBondContact O-CD2 3.48Å; A656-F708 WeakPolarHBondContact O-CE2 3.32Å
657	N	72.7	Confident	85.4	Confident	115 Å²	115	51 Å²	51	62%	0.615	27%	0.267	S	S	*	.			trans	-113.9	-32.8	173.1	-67	-15.2	0	0	0	111.7	K706 H707	N657-K706 CarbonylContact O-C 3.54Å; N657-K706 WeakPolarHBondContact O-CA 3.43Å; N657-H707 PolarHBondContact O-N 2.95Å
658	D	86.8	Confident	85.1	Confident	90 Å²	90	55.4 Å²	55.4	48%	0.481	30%	0.297	S	S	.	.			trans	-94.6	133.1	-173.7	-61.2	-28.1	0	0	0	112.1	P618 C705	P618-D658 WeakPolarHBondContact CD-O 3.38Å; P618-D658 HydrophobicContact CG-CB 4.26Å; D658-C705 WeakPolarHBondContact CA-O 3.28Å
659	I	90.1	Very high	84.8	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132	176.6	-176.9	170.6	0	0	0	109.7	I615 V617 A651 I661 D704 C705 H707 F708 F711	I615-I659 HydrophobicContact CG2-CD1 3.62Å; I615-I659 HydrophobicContact CG2-CG1 3.78Å; V617-I659 HydrophobicContact CG2-CB 4.39Å; V617-I659 HydrophobicContact CG2-CD1 4.18Å; V617-I659 HydrophobicContact CG2-CG1 3.92Å; A651-I659 HydrophobicContact CB-CD1 3.49Å; A651-I659 VanDerWaalsContact CB-CD1 3.49Å; I659-I661 HydrophobicContact CD1-CD1 4.1Å; I659-I661 HydrophobicContact CD1-CG1 4.08Å; I659-I661 HydrophobicContact CG1-CD1 4.31Å; I659-I661 HydrophobicContact CG1-CG1 3.86Å; I659-D704 WeakPolarHBondContact O-CA 3.42Å; I659-C705 HydrophobicContact CG2-CB 3.77Å; I659-C705 PolarHBondContact N-O 3.37Å; I659-C705 PolarHBondContact O-N 3.48Å; I659-H707 WeakPolarHBondContact CG2-O 3.28Å; I659-F708 HydrophobicContact CB-CE1 4.48Å; I659-F708 HydrophobicContact CB-CZ 4.34Å; I659-F708 HydrophobicContact CD1-CD1 4.35Å; I659-F708 HydrophobicContact CD1-CE1 4.01Å; I659-F711 HydrophobicContact CD1-CE2 4.34Å; I659-F711 HydrophobicContact CG2-CE2 4.32Å; I659-F711 HydrophobicContact CG2-CZ 4.11Å
660	S	92.4	Very high	84.2	Confident	17 Å²	17	59.4 Å²	59.4	12%	0.119	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.3	173.3	-162.1	0	0	0	0	109.1	I615 S616 R702 C703 D704	I615-S660 WeakPolarHBondContact CA-O 3.34Å; S616-S660 PolarHBondContact N-O 3.27Å; S616-S660 PolarHBondContact O-N 2.82Å; S660-R702 PolarHBondContact OG-NE 3.39Å; S660-R702 VanDerWaalsContact OG-NE 3.15Å; S660-C703 CarbonylContact C-O 3.54Å; S660-C703 WeakPolarHBondContact CA-O 3.39Å; S660-D704 WeakPolarHBondContact CB-OD1 3.45Å; S660-D704 PolarHBondContact OG-OD1 3.24Å
661	I	92.9	Very high	83.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.9	-175.7	-52.1	174.1	0	0	0	108.1	V613 I615 I659 F663 R702 C703 F711	V613-I661 HydrophobicContact CG1-CG2 3.59Å; I615-I661 HydrophobicContact CG1-CG1 4.46Å; I615-I661 HydrophobicContact CG1-CG2 4.23Å; I659-I661 HydrophobicContact CD1-CD1 4.1Å; I659-I661 HydrophobicContact CD1-CG1 4.08Å; I659-I661 HydrophobicContact CG1-CD1 4.31Å; I659-I661 HydrophobicContact CG1-CG1 3.86Å; I661-F663 HydrophobicContact CB-CD2 4.44Å; I661-F663 HydrophobicContact CB-CE2 3.98Å; I661-F663 HydrophobicContact CB-CZ 4.34Å; I661-F663 HydrophobicContact CD1-CZ 4.4Å; I661-F663 HydrophobicContact CG2-CD1 4.22Å; I661-F663 HydrophobicContact CG2-CD2 3.85Å; I661-F663 HydrophobicContact CG2-CE1 3.93Å; I661-F663 HydrophobicContact CG2-CE2 3.53Å; I661-F663 HydrophobicContact CG2-CG 4.19Å; I661-F663 HydrophobicContact CG2-CZ 3.58Å; I661-R702 CarbonylContact O-C 2.73Å; I661-R702 WeakPolarHBondContact O-CA 3.47Å; I661-C703 PolarHBondContact N-O 3.44Å; I661-C703 PolarHBondContact O-N 2.93Å; I661-F711 HydrophobicContact CD1-CB 3.82Å; I661-F711 HydrophobicContact CD1-CD1 4.25Å; I661-F711 HydrophobicContact CD1-CD2 3.29Å; I661-F711 HydrophobicContact CD1-CE2 3.87Å; I661-F711 HydrophobicContact CD1-CG 3.52Å
662	N	94.4	Very high	83.2	Confident	77 Å²	77	63.9 Å²	63.9	41%	0.412	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	99.8	173.5	-173.8	25.9	0	0	0	109.6	V613 T614 G701	V613-N662 WeakPolarHBondContact CA-O 3.3Å; V613-N662 WeakPolarHBondContact CG1-O 3.33Å; T614-N662 PolarHBondContact N-O 3.46Å; T614-N662 PolarHBondContact O-N 2.8Å; N662-G701 CarbonylContact C-O 3.52Å; N662-G701 WeakPolarHBondContact CA-O 3.27Å
663	F	92.6	Very high	83.2	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.035	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-77.1	140.7	-177.8	-71.6	-79.1	0	0	0	112.6	V613 V649 I661 G701 C703 F711 L713	V613-F663 HydrophobicContact CG1-CD1 4.09Å; V613-F663 HydrophobicContact CG1-CE1 4.46Å; V613-F663 HydrophobicContact CG2-CD1 4.31Å; V649-F663 HydrophobicContact CB-CE1 4.28Å; V649-F663 HydrophobicContact CG2-CE1 4.08Å; I661-F663 HydrophobicContact CB-CD2 4.44Å; I661-F663 HydrophobicContact CB-CE2 3.98Å; I661-F663 HydrophobicContact CB-CZ 4.34Å; I661-F663 HydrophobicContact CD1-CZ 4.4Å; I661-F663 HydrophobicContact CG2-CD1 4.22Å; I661-F663 HydrophobicContact CG2-CD2 3.85Å; I661-F663 HydrophobicContact CG2-CE1 3.93Å; I661-F663 HydrophobicContact CG2-CE2 3.53Å; I661-F663 HydrophobicContact CG2-CG 4.19Å; I661-F663 HydrophobicContact CG2-CZ 3.58Å; F663-G701 PolarHBondContact N-O 3.1Å; F663-C703 HydrophobicContact CD2-CB 4.49Å; F663-C703 HydrophobicContact CE2-CB 4.16Å; F663-F711 HydrophobicContact CZ-CB 3.8Å; F663-L713 HydrophobicContact CB-CB 4.36Å; F663-L713 HydrophobicContact CB-CD2 4.11Å; F663-L713 HydrophobicContact CD2-CB 4.04Å; F663-L713 HydrophobicContact CE2-CB 4.49Å; F663-L713 HydrophobicContact CG-CB 4.12Å
664	Q	89.6	Confident	83.4	Confident	104 Å²	104	66.2 Å²	66.2	49%	0.486	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-81.6	118.9	161.7	-173.8	175.6	10.6	0	0	109.4	N612	N612-Q664 VanDerWaalsContact CB-OE1 3.27Å; N612-Q664 PolarHBondContact ND2-OE1 2.68Å
665	M	88.2	Confident	84.6	Confident	53 Å²	53	59.1 Å²	59.1	26%	0.261	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-72.5	136.4	178.3	-66.9	176.9	-77.8	0	0	111.7	N645 R669 L675 E700 L713	N645-M665 WeakPolarHBondContact O-CA 3.17Å; M665-R669 HydrophobicContact SD-CB 4.23Å; M665-L675 HydrophobicContact SD-CD1 4.16Å; M665-E700 HydrophobicContact CE-CB 3.96Å; M665-E700 HydrophobicContact SD-CB 4.34Å; M665-L713 HydrophobicContact CG-CD2 3.99Å
666	I	86.7	Confident	85.9	Confident	97 Å²	97	56 Å²	56	50%	0.497	29%	0.287	S	S	.	.	S	Bend	trans	-73.1	-43.7	175	-60.5	171.9	0	0	0	110.2	N645	N645-I666 PolarHBondContact O-N 2.82Å; N645-I666 PolarHBondContact OD1-N 2.9Å
667	K	84.9	Confident	87.2	Confident	99 Å²	99	55.4 Å²	55.4	43%	0.43	28%	0.282	S	S	.	.	S	Bend	trans	-116.3	138.9	175.3	-57.5	179.5	-168.3	168.5	0	110	E643 N645	E643-K667 IonicContact OE1-NZ 2.77Å; E643-K667 PolarHBondContact OE1-NZ 2.91Å; E643-K667 IonicContact OE2-NZ 3.38Å; E643-K667 PolarHBondContact OE2-NZ 2.87Å; N645-K667 PolarHBondContact ND2-O 2.93Å; N645-K667 WeakPolarHBondContact OD1-CA 3.07Å; N645-K667 WeakPolarHBondContact OD1-CB 3.15Å; N645-K667 PolarHBondContact OD1-N 3.38Å; N645-K667 PolarHBondContact OD1-O 3.41Å
668	P	84.9	Confident	88.2	Confident	116 Å²	116	50.2 Å²	50.2	75%	0.753	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-64	137.3	175.3	27.8	-33.7	0	0	0	110.4	P670	P668-P670 WeakPolarHBondContact O-CD 3.28Å
669	R	86	Confident	88.4	Confident	28 Å²	28	47.3 Å²	47.3	11%	0.106	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-68.9	123.6	179.9	-171.7	-170.5	71.2	98	-0.6	110.5	M665 F673 L675 E700 L715 D961	M665-R669 HydrophobicContact SD-CB 4.23Å; R669-F673 WeakPolarHBondContact CD-O 3.33Å; R669-F673 PolarHBondContact NH1-O 3.24Å; R669-F673 VanDerWaalsContact NH1-O 3.08Å; R669-L675 HydrophobicContact CG-CD1 4.33Å; R669-L675 HydrophobicContact CG-CG 4.21Å; R669-E700 IonicContact CZ-OE1 2.63Å; R669-E700 VanDerWaalsContact CZ-OE1 3.23Å; R669-E700 IonicContact NE-OE1 2.8Å; R669-E700 PolarHBondContact NE-OE1 3.47Å; R669-E700 IonicContact NE-OE2 3.84Å; R669-E700 IonicContact NH2-OE1 3.77Å; R669-E700 PolarHBondContact NH2-OE1 2.72Å; R669-L715 HydrophobicContact CG-CD1 3.96Å; R669-D961 IonicContact CZ-OD2 3.76Å; R669-D961 VanDerWaalsContact CZ-OD2 3.26Å; R669-D961 IonicContact NH1-OD1 3.3Å; R669-D961 IonicContact NH1-OD2 3.69Å; R669-D961 PolarHBondContact NH1-OD2 3.21Å; R669-D961 IonicContact NH2-OD2 3.33Å; R669-D961 PolarHBondContact NH2-OD2 2.96Å
670	P	81.9	Confident	88.4	Confident	58 Å²	58	47.5 Å²	47.5	38%	0.377	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-71.6	151.7	168.2	-12.7	28.5	0	0	0	110.9	P668 F673	P668-P670 WeakPolarHBondContact O-CD 3.28Å; P670-F673 HydrophobicContact CB-CD2 3.62Å; P670-F673 HydrophobicContact CB-CE2 3.84Å; P670-F673 HydrophobicContact CB-CG 4.04Å; P670-F673 HydrophobicContact CB-CZ 4.44Å; P670-F673 HydrophobicContact CG-CD1 4.33Å; P670-F673 HydrophobicContact CG-CD2 4.21Å; P670-F673 HydrophobicContact CG-CE2 4.41Å; P670-F673 HydrophobicContact CG-CG 4.18Å; P670-F673 WeakPolarHBondContact O-CB 3.05Å; P670-F673 PolarHBondContact O-N 2.73Å
671	R	76.6	Confident	88.2	Confident	60 Å²	60	47.5 Å²	47.5	23%	0.226	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	141.9	-180	-168	-163.3	178.8	128.9	11.3	111.6	F673 Y878 I957 L958 F960	R671-F673 VanDerWaalsContact O-CD2 3.32Å; R671-F673 WeakPolarHBondContact O-CD2 3.27Å; R671-F673 PolarHBondContact O-N 3.03Å; R671-Y878 PolarHBondContact NH1-OH 3.35Å; R671-I957 PolarHBondContact NH2-O 3.23Å; R671-L958 VanDerWaalsContact CZ-O 3.25Å; R671-L958 PolarHBondContact NH1-O 3.18Å; R671-L958 PolarHBondContact NH2-O 3.48Å; R671-F960 PolarHBondContact NH2-O 2.74Å
672	N	82.3	Confident	87.6	Confident	37 Å²	37	50.9 Å²	50.9	20%	0.198	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	6.5	-178.1	-48	-34.7	0	0	0	114.2	L720 D961 L962	N672-L720 WeakPolarHBondContact O-CB 3.33Å; N672-L720 PolarHBondContact O-N 2.9Å; N672-D961 VanDerWaalsContact CA-OD1 3.24Å; N672-D961 WeakPolarHBondContact CA-OD1 3Å; N672-D961 PolarHBondContact N-OD1 2.65Å; N672-D961 PolarHBondContact N-OD2 3.13Å; N672-D961 PolarHBondContact OD1-OD1 3.4Å; N672-L962 HydrophobicContact CB-CB 4.09Å; N672-L962 HydrophobicContact CB-CD1 4.14Å; N672-L962 WeakPolarHBondContact ND2-CD1 3.35Å; N672-L962 WeakPolarHBondContact OD1-CD1 3.39Å; N672-L962 PolarHBondContact OD1-N 2.99Å
673	F	86.6	Confident	87.2	Confident	42 Å²	42	55.8 Å²	55.8	18%	0.184	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-91	130.6	171.3	-73.2	-121.8	0	0	0	108.7	R669 P670 R671 L715 S716 K717 P719	R669-F673 WeakPolarHBondContact CD-O 3.33Å; R669-F673 PolarHBondContact NH1-O 3.24Å; R669-F673 VanDerWaalsContact NH1-O 3.08Å; P670-F673 HydrophobicContact CB-CD2 3.62Å; P670-F673 HydrophobicContact CB-CE2 3.84Å; P670-F673 HydrophobicContact CB-CG 4.04Å; P670-F673 HydrophobicContact CB-CZ 4.44Å; P670-F673 HydrophobicContact CG-CD1 4.33Å; P670-F673 HydrophobicContact CG-CD2 4.21Å; P670-F673 HydrophobicContact CG-CE2 4.41Å; P670-F673 HydrophobicContact CG-CG 4.18Å; P670-F673 WeakPolarHBondContact O-CB 3.05Å; P670-F673 PolarHBondContact O-N 2.73Å; R671-F673 VanDerWaalsContact O-CD2 3.32Å; R671-F673 WeakPolarHBondContact O-CD2 3.27Å; R671-F673 PolarHBondContact O-N 3.03Å; F673-L715 HydrophobicContact CB-CD1 4.02Å; F673-S716 VanDerWaalsContact CD1-O 3.28Å; F673-S716 WeakPolarHBondContact CD1-O 3.21Å; F673-K717 WeakPolarHBondContact CE1-O 3.26Å; F673-P719 HydrophobicContact CD2-CB 4.06Å; F673-P719 HydrophobicContact CE2-CB 3.73Å; F673-P719 HydrophobicContact CE2-CG 4.31Å; F673-P719 HydrophobicContact CZ-CB 4.24Å; F673-P719 HydrophobicContact CZ-CG 4.41Å
674	Q	86.7	Confident	86.7	Confident	74 Å²	74	60 Å²	60	35%	0.346	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-81.1	135.2	-178.8	-171.7	177.8	26.9	0	0	110.7	S716 T963	Q674-S716 WeakPolarHBondContact O-CB 3.17Å; Q674-S716 PolarHBondContact O-N 3.44Å; Q674-T963 HydrophobicContact CB-CG2 4.34Å
675	L	90.8	Very high	86.4	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	144.4	164.2	-68.8	171.6	0	0	0	109.7	M665 R669 W694 E700 L713 L714 L715	M665-L675 HydrophobicContact SD-CD1 4.16Å; R669-L675 HydrophobicContact CG-CD1 4.33Å; R669-L675 HydrophobicContact CG-CG 4.21Å; L675-W694 HydrophobicContact CB-CD2 4.07Å; L675-W694 HydrophobicContact CB-CG 4.41Å; L675-W694 HydrophobicContact CB-CZ2 4.12Å; L675-W694 HydrophobicContact CD1-CZ2 4.02Å; L675-W694 HydrophobicContact CG-CZ2 4.39Å; L675-E700 HydrophobicContact CD1-CB 4.16Å; L675-E700 WeakPolarHBondContact CD1-O 3.41Å; L675-L713 HydrophobicContact CB-CD1 4.15Å; L675-L713 HydrophobicContact CD1-CD2 4.27Å; L675-L713 HydrophobicContact CD2-CD2 4.16Å; L675-L713 HydrophobicContact CD2-CG 4.18Å; L675-L714 CarbonylContact C-O 3.56Å; L675-L714 VanDerWaalsContact CA-O 3.3Å; L675-L714 WeakPolarHBondContact CA-O 3.36Å; L675-L715 HydrophobicContact CD2-CB 4.01Å; L675-L715 HydrophobicContact CD2-CD1 3.69Å; L675-L715 HydrophobicContact CD2-CG 4.45Å; L675-L715 HydrophobicContact CG-CD1 4.46Å
676	K	91.3	Very high	86.2	Confident	79 Å²	79	61.1 Å²	61.1	34%	0.343	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.6	175.4	-65.3	-178.4	179.6	178.3	0	109.9	V678 L714	K676-V678 HydrophobicContact CB-CG1 4.3Å; K676-L714 HydrophobicContact CB-CB 4.35Å; K676-L714 PolarHBondContact N-O 3.07Å; K676-L714 PolarHBondContact O-N 2.83Å
677	C	93.4	Very high	86.3	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.5	169	-58.7	0	0	0	0	108.3	S689 C692 W694 C703	C677-S689 WeakPolarHBondContact O-CB 3.35Å; C677-C692 HydrophobicContact CB-CB 4.08Å; C677-W694 VanDerWaalsContact SG-CA 3.52Å; C677-C703 HydrophobicContact CB-CB 3.63Å; C677-C703 WeakPolarHBondContact CB-SG 3.45Å; C677-C703 WeakPolarHBondContact SG-CA 3.41Å; C677-C703 WeakPolarHBondContact SG-CB 3.4Å; C677-C703 CovalentContact SG-SG 2.02Å; C677-C703 PolarHBondContact SG-SG 3.06Å
678	V	92.5	Very high	86.6	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.6	-177.4	-61.1	0	0	0	0	110.9	K676 F687 S688 F711 A712 L714	K676-V678 HydrophobicContact CB-CG1 4.3Å; V678-F687 HydrophobicContact CB-CB 4.14Å; V678-F687 HydrophobicContact CB-CD1 4.29Å; V678-F687 HydrophobicContact CG2-CB 4.02Å; V678-F687 HydrophobicContact CG2-CD1 3.56Å; V678-F687 HydrophobicContact CG2-CE1 4.28Å; V678-F687 HydrophobicContact CG2-CG 3.99Å; V678-S688 CarbonylContact C-O 3.54Å; V678-S688 WeakPolarHBondContact CA-O 3.17Å; V678-S688 WeakPolarHBondContact CB-O 3.33Å; V678-F711 CarbonylContact O-C 3.59Å; V678-F711 WeakPolarHBondContact O-CA 3.36Å; V678-A712 HydrophobicContact CG2-CB 4.15Å; V678-A712 WeakPolarHBondContact CG2-O 3.32Å; V678-A712 PolarHBondContact N-O 3.03Å; V678-A712 PolarHBondContact O-N 3.26Å; V678-A712 VanDerWaalsContact O-O 3.09Å; V678-L714 HydrophobicContact CB-CD1 4.49Å; V678-L714 HydrophobicContact CG1-CD1 3.8Å; V678-L714 HydrophobicContact CG1-CG 4.12Å; V678-L714 HydrophobicContact CG2-CD1 3.94Å; V678-L714 HydrophobicContact CG2-CD2 4.12Å; V678-L714 HydrophobicContact CG2-CG 3.66Å
679	Y	92.2	Very high	86.9	Confident	29 Å²	29	52 Å²	52	11%	0.114	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.1	166.9	73.1	-80.5	0	0	0	110.3	D681 F687 S688 E690 H707 S710	Y679-D681 HydrophobicContact CE2-CB 3.99Å; Y679-D681 PolarHBondContact O-N 2.9Å; Y679-F687 WeakPolarHBondContact O-CA 3.31Å; Y679-S688 WeakPolarHBondContact CD1-O 3.25Å; Y679-S688 PolarHBondContact N-O 3.33Å; Y679-S688 PolarHBondContact O-N 2.91Å; Y679-E690 HydrophobicContact CE1-CB 4.16Å; Y679-E690 WeakPolarHBondContact CE1-O 3.4Å; Y679-H707 AromaticContact CD1-CE1 3.37Å; Y679-H707 WeakPolarHBondContact CD1-CE1 3.33Å; Y679-H707 AromaticContact CD1-NE2 3.57Å; Y679-H707 AromaticContact CD2-CE1 3.78Å; Y679-H707 AromaticContact CE1-CE1 3.85Å; Y679-H707 AromaticContact CE1-NE2 3.79Å; Y679-H707 AromaticContact CG-CE1 3.34Å; Y679-S710 CarbonylContact C-O 3.53Å; Y679-S710 WeakPolarHBondContact CA-O 3.45Å
680	W	89.4	Confident	87.2	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.7	174.1	-170.7	-100.9	0	0	0	110.6	E572 M575 L635 P636 T682 F687 S710	E572-W680 HydrophobicContact CG-CZ2 4.39Å; E572-W680 PolarHBondContact OE1-NE1 3.37Å; M575-W680 HydrophobicContact CE-CB 4.03Å; M575-W680 HydrophobicContact CE-CG 3.76Å; L635-W680 HydrophobicContact CB-CH2 4.47Å; L635-W680 HydrophobicContact CB-CZ3 4.23Å; L635-W680 HydrophobicContact CD1-CD2 4.34Å; L635-W680 HydrophobicContact CD1-CE3 3.9Å; L635-W680 HydrophobicContact CD1-CZ3 4.14Å; L635-W680 HydrophobicContact CD2-CH2 4.38Å; L635-W680 HydrophobicContact CD2-CZ2 4.34Å; L635-W680 HydrophobicContact CD2-CZ3 4.5Å; P636-W680 HydrophobicContact CG-CH2 3.92Å; P636-W680 HydrophobicContact CG-CZ2 4.35Å; W680-T682 PolarHBondContact O-N 2.9Å; W680-F687 AromaticContact CE3-CD1 3.86Å; W680-F687 HydrophobicContact CE3-CD1 3.86Å; W680-F687 HydrophobicContact CE3-CD2 4.07Å; W680-F687 AromaticContact CE3-CE1 3.73Å; W680-F687 HydrophobicContact CE3-CE1 3.73Å; W680-F687 AromaticContact CE3-CE2 3.95Å; W680-F687 HydrophobicContact CE3-CE2 3.95Å; W680-F687 HydrophobicContact CE3-CG 4.04Å; W680-F687 AromaticContact CE3-CZ 3.79Å; W680-F687 HydrophobicContact CE3-CZ 3.79Å; W680-F687 HydrophobicContact CZ3-CD1 4.49Å; W680-F687 AromaticContact CZ3-CD2 3.88Å; W680-F687 HydrophobicContact CZ3-CD2 3.88Å; W680-F687 HydrophobicContact CZ3-CE1 4.4Å; W680-F687 AromaticContact CZ3-CE2 3.77Å; W680-F687 HydrophobicContact CZ3-CE2 3.77Å; W680-F687 HydrophobicContact CZ3-CG 4.26Å; W680-F687 HydrophobicContact CZ3-CZ 4.05Å; W680-S710 PolarHBondContact N-O 2.91Å
681	D	87.7	Confident	87.6	Confident	17 Å²	17	56.2 Å²	56.2	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	102.8	175.1	-177.7	-4.6	0	0	0	110.2	Y679 K683 N684 H685 K686	Y679-D681 HydrophobicContact CE2-CB 3.99Å; Y679-D681 PolarHBondContact O-N 2.9Å; D681-K683 PolarHBondContact O-N 2.86Å; D681-K683 WeakPolarHBondContact OD1-CB 3.04Å; D681-K683 PolarHBondContact OD1-N 3.47Å; D681-N684 PolarHBondContact O-N 2.81Å; D681-N684 PolarHBondContact OD2-ND2 2.82Å; D681-H685 WeakPolarHBondContact O-CA 3.42Å; D681-H685 PolarHBondContact O-N 2.86Å; D681-K686 WeakPolarHBondContact CB-O 3.36Å; D681-K686 PolarHBondContact N-O 3.42Å; D681-K686 PolarHBondContact O-N 2.82Å
682	T	81.8	Confident	88.4	Confident	71 Å²	71	53.7 Å²	53.7	44%	0.436	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.4	-179.1	54	0	0	0	0	114.1	I576 W680 H685	I576-T682 HydrophobicContact CD1-CG2 4.02Å; I576-T682 HydrophobicContact CG1-CG2 4.38Å; W680-T682 PolarHBondContact O-N 2.9Å; T682-H685 PolarHBondContact O-CE1 2.89Å
683	K	84.2	Confident	88.9	Confident	179 Å²	179	56.8 Å²	56.8	78%	0.778	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-37.3	176.8	-63.8	178.2	-178.9	173.8	0	112.2	D681	D681-K683 PolarHBondContact O-N 2.86Å; D681-K683 WeakPolarHBondContact OD1-CB 3.04Å; D681-K683 PolarHBondContact OD1-N 3.47Å
684	N	83	Confident	89.2	Confident	97 Å²	97	57 Å²	57	52%	0.519	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-0.2	-176.3	-69.4	-60.9	0	0	0	113	D681 K686	D681-N684 PolarHBondContact O-N 2.81Å; D681-N684 PolarHBondContact OD2-ND2 2.82Å; N684-K686 HydrophobicContact CB-CD 4.04Å; N684-K686 HydrophobicContact CB-CG 3.86Å; N684-K686 PolarHBondContact O-N 2.76Å
685	H	82.5	Confident	89.3	Confident	76 Å²	76	58.4 Å²	58.4	35%	0.352	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	42.1	-178.8	-54.5	-63.6	0	0	0	113.2	E572 D681 T682	E572-H685 IonicContact OE1-CE1 2.76Å; E572-H685 IonicContact OE1-CG 3.79Å; E572-H685 IonicContact OE1-ND1 3.74Å; E572-H685 PolarHBondContact OE1-ND1 3.43Å; E572-H685 IonicContact OE2-CG 2.79Å; E572-H685 IonicContact OE2-ND1 3.26Å; E572-H685 PolarHBondContact OE2-ND1 3.08Å; D681-H685 WeakPolarHBondContact O-CA 3.42Å; D681-H685 PolarHBondContact O-N 2.86Å; T682-H685 PolarHBondContact O-CE1 2.89Å
686	K	85.7	Confident	89.1	Confident	105 Å²	105	58.7 Å²	58.7	46%	0.457	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.9	-176.4	71.1	-176	-176	-176.3	0	111.9	D681 N684	D681-K686 WeakPolarHBondContact CB-O 3.36Å; D681-K686 PolarHBondContact N-O 3.42Å; D681-K686 PolarHBondContact O-N 2.82Å; N684-K686 HydrophobicContact CB-CD 4.04Å; N684-K686 HydrophobicContact CB-CG 3.86Å; N684-K686 PolarHBondContact O-N 2.76Å
687	F	88.4	Confident	88.8	Confident	29 Å²	29	56.2 Å²	56.2	13%	0.127	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.6	167.1	-71.9	-69.5	0	0	0	111.3	L635 L638 V644 V678 Y679 W680 A712 L714	L635-F687 HydrophobicContact CD1-CE1 4.34Å; L635-F687 HydrophobicContact CD1-CE2 4.4Å; L635-F687 HydrophobicContact CD1-CZ 3.67Å; L638-F687 HydrophobicContact CD2-CD2 4.44Å; L638-F687 HydrophobicContact CD2-CE2 4.39Å; V644-F687 HydrophobicContact CG2-CE2 4.36Å; V678-F687 HydrophobicContact CB-CB 4.14Å; V678-F687 HydrophobicContact CB-CD1 4.29Å; V678-F687 HydrophobicContact CG2-CB 4.02Å; V678-F687 HydrophobicContact CG2-CD1 3.56Å; V678-F687 HydrophobicContact CG2-CE1 4.28Å; V678-F687 HydrophobicContact CG2-CG 3.99Å; Y679-F687 WeakPolarHBondContact O-CA 3.31Å; W680-F687 AromaticContact CE3-CD1 3.86Å; W680-F687 HydrophobicContact CE3-CD1 3.86Å; W680-F687 HydrophobicContact CE3-CD2 4.07Å; W680-F687 AromaticContact CE3-CE1 3.73Å; W680-F687 HydrophobicContact CE3-CE1 3.73Å; W680-F687 AromaticContact CE3-CE2 3.95Å; W680-F687 HydrophobicContact CE3-CE2 3.95Å; W680-F687 HydrophobicContact CE3-CG 4.04Å; W680-F687 AromaticContact CE3-CZ 3.79Å; W680-F687 HydrophobicContact CE3-CZ 3.79Å; W680-F687 HydrophobicContact CZ3-CD1 4.49Å; W680-F687 AromaticContact CZ3-CD2 3.88Å; W680-F687 HydrophobicContact CZ3-CD2 3.88Å; W680-F687 HydrophobicContact CZ3-CE1 4.4Å; W680-F687 AromaticContact CZ3-CE2 3.77Å; W680-F687 HydrophobicContact CZ3-CE2 3.77Å; W680-F687 HydrophobicContact CZ3-CG 4.26Å; W680-F687 HydrophobicContact CZ3-CZ 4.05Å; F687-A712 HydrophobicContact CE1-CB 3.99Å; F687-L714 HydrophobicContact CB-CD1 4.48Å
688	S	90.3	Very high	88.3	Confident	19 Å²	19	61.9 Å²	61.9	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.2	176.1	-178.8	0	0	0	0	110.5	V678 Y679 E690	V678-S688 CarbonylContact C-O 3.54Å; V678-S688 WeakPolarHBondContact CA-O 3.17Å; V678-S688 WeakPolarHBondContact CB-O 3.33Å; Y679-S688 WeakPolarHBondContact CD1-O 3.25Å; Y679-S688 PolarHBondContact N-O 3.33Å; Y679-S688 PolarHBondContact O-N 2.91Å; S688-E690 WeakPolarHBondContact OG-CB 3.35Å; S688-E690 PolarHBondContact OG-N 2.94Å
689	S	91.4	Very high	88.1	Confident	71 Å²	71	65.8 Å²	65.8	50%	0.497	35%	0.347	S	S	.	.			trans	-99.3	7.8	173	63.7	0	0	0	0	112.7	C677 G691 C692	C677-S689 WeakPolarHBondContact O-CB 3.35Å; S689-G691 PolarHBondContact O-N 2.76Å; S689-C692 PolarHBondContact O-N 2.03Å
690	E	91.6	Very high	87.8	Confident	143 Å²	143	67.1 Å²	67.1	67%	0.668	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	124.4	-178	-172.2	175.3	179.1	0	0	111	Y679 S688 C692 H707	Y679-E690 HydrophobicContact CE1-CB 4.16Å; Y679-E690 WeakPolarHBondContact CE1-O 3.4Å; S688-E690 WeakPolarHBondContact OG-CB 3.35Å; S688-E690 PolarHBondContact OG-N 2.94Å; E690-C692 VanDerWaalsContact C-N 3.26Å; E690-C692 PolarHBondContact O-N 3.34Å; E690-H707 PolarHBondContact O-NE2 3.35Å
691	G	90.6	Very high	87.7	Confident	33 Å²	33	67 Å²	67	34%	0.34	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	6.7	-180	0	0	0	0	0	115.5	S689 C705 K706	S689-G691 PolarHBondContact O-N 2.76Å; G691-C705 CarbonylContact O-C 3.22Å; G691-C705 VanDerWaalsContact O-CA 3.25Å; G691-C705 WeakPolarHBondContact O-CA 3.34Å; G691-K706 PolarHBondContact O-N 2.87Å
692	C	93.4	Very high	88	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.041	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.1	175.3	-76.7	0	0	0	0	112	C677 S689 E690 D704 C705 F711	C677-C692 HydrophobicContact CB-CB 4.08Å; S689-C692 PolarHBondContact O-N 2.03Å; E690-C692 VanDerWaalsContact C-N 3.26Å; E690-C692 PolarHBondContact O-N 3.34Å; C692-D704 WeakPolarHBondContact CA-O 3.46Å; C692-C705 HydrophobicContact CB-CB 4.16Å; C692-C705 WeakPolarHBondContact CB-SG 3.49Å; C692-C705 WeakPolarHBondContact SG-CB 3.08Å; C692-C705 CovalentContact SG-SG 2.05Å; C692-C705 PolarHBondContact SG-SG 3.32Å; C692-F711 VanDerWaalsContact SG-CE1 3.6Å
693	D	92.9	Very high	88.6	Confident	103 Å²	103	67.1 Å²	67.1	55%	0.551	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.5	-178.4	-67.1	-49.7	0	0	0	111.7	D704	D693-D704 PolarHBondContact N-O 3.07Å; D693-D704 PolarHBondContact O-N 2.82Å
694	W	92.8	Very high	89	Confident	46 Å²	46	60.7 Å²	60.7	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.6	171.3	176.3	53.2	0	0	0	110.7	L675 C677 G696 P697 E700 T963	L675-W694 HydrophobicContact CB-CD2 4.07Å; L675-W694 HydrophobicContact CB-CG 4.41Å; L675-W694 HydrophobicContact CB-CZ2 4.12Å; L675-W694 HydrophobicContact CD1-CZ2 4.02Å; L675-W694 HydrophobicContact CG-CZ2 4.39Å; C677-W694 VanDerWaalsContact SG-CA 3.52Å; W694-G696 VanDerWaalsContact CE2-C 3.48Å; W694-G696 VanDerWaalsContact CE2-CA 3.47Å; W694-G696 VanDerWaalsContact CZ2-O 3.27Å; W694-G696 WeakPolarHBondContact CZ2-O 3.33Å; W694-G696 PolarHBondContact O-N 3.33Å; W694-P697 HydrophobicContact CH2-CB 4.34Å; W694-E700 PolarHBondContact NE1-O 3.43Å; W694-T963 HydrophobicContact CH2-CG2 4.46Å; W694-T963 HydrophobicContact CZ3-CG2 4.4Å
695	K	90.1	Very high	89.5	Confident	104 Å²	104	56.2 Å²	56.2	45%	0.452	30%	0.297	S	S	.	.			trans	-70.3	-17.2	-178.2	-75.3	-61.4	-168	-157.7	0	114.9	E699 R702 D704	K695-E699 HydrophobicContact CB-CB 4.14Å; K695-R702 HydrophobicContact CB-CB 4.23Å; K695-R702 HydrophobicContact CB-CG 4.45Å; K695-R702 HydrophobicContact CG-CB 4.18Å; K695-R702 HydrophobicContact CG-CG 3.86Å; K695-R702 PolarHBondContact N-O 3.04Å; K695-R702 VanDerWaalsContact N-O 3.1Å; K695-D704 WeakPolarHBondContact CE-OD2 3.43Å; K695-D704 IonicContact NZ-OD2 3.14Å; K695-D704 PolarHBondContact NZ-OD2 3.06Å
696	G	85.9	Confident	89.9	Confident	8 Å²	8	59.1 Å²	59.1	8%	0.082	31%	0.309	C	S	.	.			trans	107.2	-173.5	175	0	0	0	0	0	114.1	W694 S698 E699 E700	W694-G696 VanDerWaalsContact CE2-C 3.48Å; W694-G696 VanDerWaalsContact CE2-CA 3.47Å; W694-G696 VanDerWaalsContact CZ2-O 3.27Å; W694-G696 WeakPolarHBondContact CZ2-O 3.33Å; W694-G696 PolarHBondContact O-N 3.33Å; G696-S698 VanDerWaalsContact C-N 3.27Å; G696-S698 PolarHBondContact O-N 2.79Å; G696-E699 CarbonylContact O-C 3.4Å; G696-E699 VanDerWaalsContact O-C 3.22Å; G696-E699 PolarHBondContact O-N 2.87Å; G696-E699 VanDerWaalsContact O-N 3.15Å; G696-E700 PolarHBondContact O-N 2.94Å
697	P	84.5	Confident	90.1	Very high	27 Å²	27	56.1 Å²	56.1	18%	0.175	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-71	-15.8	-167.1	26.8	-34.3	0	0	0	114.7	W694 E700 D961 S964	W694-P697 HydrophobicContact CH2-CB 4.34Å; P697-E700 VanDerWaalsContact O-CG 3.22Å; P697-E700 WeakPolarHBondContact O-CG 3.39Å; P697-D961 HydrophobicContact CB-CB 4.12Å; P697-D961 HydrophobicContact CG-CB 4.1Å; P697-S964 VanDerWaalsContact CG-OG 3.29Å; P697-S964 WeakPolarHBondContact CG-OG 3.23Å
698	S	84.4	Confident	90.1	Very high	122 Å²	122	56.6 Å²	56.6	85%	0.853	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-76.1	-27	174.2	-55.2	0	0	0	0	112.6	G696	G696-S698 VanDerWaalsContact C-N 3.27Å; G696-S698 PolarHBondContact O-N 2.79Å
699	E	86.4	Confident	90.1	Very high	89 Å²	89	57.2 Å²	57.2	42%	0.416	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-130.1	64	179.9	-66.9	-176.1	-101.2	0	0	108.4	K695 G696 G701 R702	K695-E699 HydrophobicContact CB-CB 4.14Å; G696-E699 CarbonylContact O-C 3.4Å; G696-E699 VanDerWaalsContact O-C 3.22Å; G696-E699 PolarHBondContact O-N 2.87Å; G696-E699 VanDerWaalsContact O-N 3.15Å; E699-G701 VanDerWaalsContact C-N 3.27Å; E699-G701 PolarHBondContact O-N 3.3Å; E699-G701 VanDerWaalsContact O-N 3.11Å; E699-R702 HydrophobicContact CB-CB 3.91Å; E699-R702 PolarHBondContact O-N 2.96Å; E699-R702 IonicContact OE1-NH1 3.08Å; E699-R702 WeakPolarHBondContact OE2-CD 3.36Å; E699-R702 IonicContact OE2-CZ 3.71Å; E699-R702 IonicContact OE2-NE 3.87Å; E699-R702 IonicContact OE2-NH1 3.24Å; E699-R702 PolarHBondContact OE2-NH1 3.45Å
700	E	85.8	Confident	90.2	Very high	57 Å²	57	54.1 Å²	54.1	27%	0.266	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.8	-165.9	-59.5	-170.6	149.1	0	0	113.9	M665 R669 L675 W694 G696 P697	M665-E700 HydrophobicContact CE-CB 3.96Å; M665-E700 HydrophobicContact SD-CB 4.34Å; R669-E700 IonicContact CZ-OE1 2.63Å; R669-E700 VanDerWaalsContact CZ-OE1 3.23Å; R669-E700 IonicContact NE-OE1 2.8Å; R669-E700 PolarHBondContact NE-OE1 3.47Å; R669-E700 IonicContact NE-OE2 3.84Å; R669-E700 IonicContact NH2-OE1 3.77Å; R669-E700 PolarHBondContact NH2-OE1 2.72Å; L675-E700 HydrophobicContact CD1-CB 4.16Å; L675-E700 WeakPolarHBondContact CD1-O 3.41Å; W694-E700 PolarHBondContact NE1-O 3.43Å; G696-E700 PolarHBondContact O-N 2.94Å; P697-E700 VanDerWaalsContact O-CG 3.22Å; P697-E700 WeakPolarHBondContact O-CG 3.39Å
701	G	88.3	Confident	90.3	Very high	6 Å²	6	47.4 Å²	47.4	6%	0.062	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.5	-179.5	0	0	0	0	0	115.5	N662 F663 E699	N662-G701 CarbonylContact C-O 3.52Å; N662-G701 WeakPolarHBondContact CA-O 3.27Å; F663-G701 PolarHBondContact N-O 3.1Å; E699-G701 VanDerWaalsContact C-N 3.27Å; E699-G701 PolarHBondContact O-N 3.3Å; E699-G701 VanDerWaalsContact O-N 3.11Å
702	R	93.3	Very high	90.4	Very high	88 Å²	88	45.8 Å²	45.8	33%	0.332	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.4	-168.5	-170.5	173.9	179.2	177.1	2	113.3	S660 I661 K695 E699 D704	S660-R702 PolarHBondContact OG-NE 3.39Å; S660-R702 VanDerWaalsContact OG-NE 3.15Å; I661-R702 CarbonylContact O-C 2.73Å; I661-R702 WeakPolarHBondContact O-CA 3.47Å; K695-R702 HydrophobicContact CB-CB 4.23Å; K695-R702 HydrophobicContact CB-CG 4.45Å; K695-R702 HydrophobicContact CG-CB 4.18Å; K695-R702 HydrophobicContact CG-CG 3.86Å; K695-R702 PolarHBondContact N-O 3.04Å; K695-R702 VanDerWaalsContact N-O 3.1Å; E699-R702 HydrophobicContact CB-CB 3.91Å; E699-R702 PolarHBondContact O-N 2.96Å; E699-R702 IonicContact OE1-NH1 3.08Å; E699-R702 WeakPolarHBondContact OE2-CD 3.36Å; E699-R702 IonicContact OE2-CZ 3.71Å; E699-R702 IonicContact OE2-NE 3.87Å; E699-R702 IonicContact OE2-NH1 3.24Å; E699-R702 PolarHBondContact OE2-NH1 3.45Å; R702-D704 IonicContact NE-OD1 3.87Å
703	C	94.4	Very high	90.3	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.5	176.7	-65.6	0	0	0	0	110.2	S660 I661 F663 C677	S660-C703 CarbonylContact C-O 3.54Å; S660-C703 WeakPolarHBondContact CA-O 3.39Å; I661-C703 PolarHBondContact N-O 3.44Å; I661-C703 PolarHBondContact O-N 2.93Å; F663-C703 HydrophobicContact CD2-CB 4.49Å; F663-C703 HydrophobicContact CE2-CB 4.16Å; C677-C703 HydrophobicContact CB-CB 3.63Å; C677-C703 WeakPolarHBondContact CB-SG 3.45Å; C677-C703 WeakPolarHBondContact SG-CA 3.41Å; C677-C703 WeakPolarHBondContact SG-CB 3.4Å; C677-C703 CovalentContact SG-SG 2.02Å; C677-C703 PolarHBondContact SG-SG 3.06Å
704	D	93.6	Very high	90.2	Very high	45 Å²	45	41.2 Å²	41.2	24%	0.241	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.7	170.2	-77.6	8.4	0	0	0	109.1	I659 S660 C692 D693 K695 R702	I659-D704 WeakPolarHBondContact O-CA 3.42Å; S660-D704 WeakPolarHBondContact CB-OD1 3.45Å; S660-D704 PolarHBondContact OG-OD1 3.24Å; C692-D704 WeakPolarHBondContact CA-O 3.46Å; D693-D704 PolarHBondContact N-O 3.07Å; D693-D704 PolarHBondContact O-N 2.82Å; K695-D704 WeakPolarHBondContact CE-OD2 3.43Å; K695-D704 IonicContact NZ-OD2 3.14Å; K695-D704 PolarHBondContact NZ-OD2 3.06Å; R702-D704 IonicContact NE-OD1 3.87Å
705	C	93.4	Very high	90.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.1	179.9	-61	0	0	0	0	111.5	D658 I659 G691 C692 F711	D658-C705 WeakPolarHBondContact CA-O 3.28Å; I659-C705 HydrophobicContact CG2-CB 3.77Å; I659-C705 PolarHBondContact N-O 3.37Å; I659-C705 PolarHBondContact O-N 3.48Å; G691-C705 CarbonylContact O-C 3.22Å; G691-C705 VanDerWaalsContact O-CA 3.25Å; G691-C705 WeakPolarHBondContact O-CA 3.34Å; C692-C705 HydrophobicContact CB-CB 4.16Å; C692-C705 WeakPolarHBondContact CB-SG 3.49Å; C692-C705 WeakPolarHBondContact SG-CB 3.08Å; C692-C705 CovalentContact SG-SG 2.05Å; C692-C705 PolarHBondContact SG-SG 3.32Å; C705-F711 HydrophobicContact CB-CD1 4.46Å; C705-F711 HydrophobicContact CB-CE1 3.69Å; C705-F711 HydrophobicContact CB-CZ 4.11Å; C705-F711 WeakPolarHBondContact SG-CE1 3.29Å
706	K	91.2	Very high	89.9	Confident	137 Å²	137	35.6 Å²	35.6	60%	0.596	19%	0.189	S	C	*	.	S	Bend	trans	-106.9	20.7	-177.5	-61.3	-174.9	-178.5	175	0	114.4	N657 G691	N657-K706 CarbonylContact O-C 3.54Å; N657-K706 WeakPolarHBondContact O-CA 3.43Å; G691-K706 PolarHBondContact O-N 2.87Å
707	H	89.7	Confident	89.8	Confident	42 Å²	42	40.1 Å²	40.1	19%	0.194	21%	0.206	C	C	.	.	S	Bend	trans	-152.1	173.4	175.4	55.8	89.2	0	0	0	109.9	N657 I659 Y679 E690 S709 F711	N657-H707 PolarHBondContact O-N 2.95Å; I659-H707 WeakPolarHBondContact CG2-O 3.28Å; Y679-H707 AromaticContact CD1-CE1 3.37Å; Y679-H707 WeakPolarHBondContact CD1-CE1 3.33Å; Y679-H707 AromaticContact CD1-NE2 3.57Å; Y679-H707 AromaticContact CD2-CE1 3.78Å; Y679-H707 AromaticContact CE1-CE1 3.85Å; Y679-H707 AromaticContact CE1-NE2 3.79Å; Y679-H707 AromaticContact CG-CE1 3.34Å; E690-H707 PolarHBondContact O-NE2 3.35Å; H707-S709 PolarHBondContact ND1-OG 3.48Å; H707-F711 AromaticContact CE1-CE1 3.58Å; H707-F711 VanDerWaalsContact O-CZ 3.29Å; H707-F711 WeakPolarHBondContact O-CZ 3.46Å
708	F	88.4	Confident	89.5	Confident	38 Å²	38	44.2 Å²	44.2	17%	0.167	22%	0.223	C	C	.	.			trans	-110	120.7	175.5	-78.6	-93.1	0	0	0	109	V617 V623 A651 A653 A656 I659	V617-F708 HydrophobicContact CG1-CZ 3.92Å; V617-F708 HydrophobicContact CG2-CE1 4.16Å; V617-F708 HydrophobicContact CG2-CZ 4.17Å; V623-F708 HydrophobicContact CG1-CE1 4.18Å; V623-F708 HydrophobicContact CG2-CE1 4.41Å; A651-F708 HydrophobicContact CB-CD1 3.79Å; A651-F708 HydrophobicContact CB-CE1 4.25Å; A651-F708 CarbonylContact O-C 3.58Å; A651-F708 VanDerWaalsContact O-CB 3.32Å; A651-F708 WeakPolarHBondContact O-CB 3.14Å; A653-F708 HydrophobicContact CB-CD1 3.64Å; A653-F708 HydrophobicContact CB-CD2 4Å; A653-F708 HydrophobicContact CB-CE1 3.47Å; A653-F708 VanDerWaalsContact CB-CE1 3.47Å; A653-F708 HydrophobicContact CB-CE2 3.88Å; A653-F708 HydrophobicContact CB-CG 3.9Å; A653-F708 HydrophobicContact CB-CZ 3.61Å; A656-F708 HydrophobicContact CB-CE2 3.51Å; A656-F708 HydrophobicContact CB-CZ 3.74Å; A656-F708 WeakPolarHBondContact O-CD2 3.48Å; A656-F708 WeakPolarHBondContact O-CE2 3.32Å; I659-F708 HydrophobicContact CB-CE1 4.48Å; I659-F708 HydrophobicContact CB-CZ 4.34Å; I659-F708 HydrophobicContact CD1-CD1 4.35Å; I659-F708 HydrophobicContact CD1-CE1 4.01Å
709	S	90.8	Very high	89.3	Confident	32 Å²	32	41.5 Å²	41.5	22%	0.224	20%	0.202	C	C	.	.	S	Bend	trans	-160.8	-171.7	-173.5	-59.5	0	0	0	0	110.7	S650 A651 H707 F711	S650-S709 WeakPolarHBondContact CA-O 3.47Å; A651-S709 PolarHBondContact N-O 3.07Å; A651-S709 VanDerWaalsContact N-O 3.09Å; A651-S709 PolarHBondContact O-N 3.01Å; H707-S709 PolarHBondContact ND1-OG 3.48Å; S709-F711 WeakPolarHBondContact O-CD2 3.36Å; S709-F711 WeakPolarHBondContact O-CE2 3.3Å
710	S	92.1	Very high	89.1	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	110.4	171.3	-27.8	0	0	0	0	109.9	E579 Y679 W680	E579-S710 WeakPolarHBondContact OE1-CB 3.25Å; E579-S710 PolarHBondContact OE1-OG 3.32Å; E579-S710 PolarHBondContact OE2-OG 3Å; Y679-S710 CarbonylContact C-O 3.53Å; Y679-S710 WeakPolarHBondContact CA-O 3.45Å; W680-S710 PolarHBondContact N-O 2.91Å
711	F	93.5	Very high	88.8	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	152.6	-172.9	-56.7	-79.1	0	0	0	113.3	I648 V649 A651 I659 I661 F663 V678 C692 C705 H707 S709	I648-F711 WeakPolarHBondContact CA-O 3.49Å; V649-F711 PolarHBondContact N-O 3.45Å; V649-F711 PolarHBondContact O-N 3.21Å; A651-F711 HydrophobicContact CB-CE2 4.45Å; I659-F711 HydrophobicContact CD1-CE2 4.34Å; I659-F711 HydrophobicContact CG2-CE2 4.32Å; I659-F711 HydrophobicContact CG2-CZ 4.11Å; I661-F711 HydrophobicContact CD1-CB 3.82Å; I661-F711 HydrophobicContact CD1-CD1 4.25Å; I661-F711 HydrophobicContact CD1-CD2 3.29Å; I661-F711 HydrophobicContact CD1-CE2 3.87Å; I661-F711 HydrophobicContact CD1-CG 3.52Å; F663-F711 HydrophobicContact CZ-CB 3.8Å; V678-F711 CarbonylContact O-C 3.59Å; V678-F711 WeakPolarHBondContact O-CA 3.36Å; C692-F711 VanDerWaalsContact SG-CE1 3.6Å; C705-F711 HydrophobicContact CB-CD1 4.46Å; C705-F711 HydrophobicContact CB-CE1 3.69Å; C705-F711 HydrophobicContact CB-CZ 4.11Å; C705-F711 WeakPolarHBondContact SG-CE1 3.29Å; H707-F711 AromaticContact CE1-CE1 3.58Å; H707-F711 VanDerWaalsContact O-CZ 3.29Å; H707-F711 WeakPolarHBondContact O-CZ 3.46Å; S709-F711 WeakPolarHBondContact O-CD2 3.36Å; S709-F711 WeakPolarHBondContact O-CE2 3.3Å
712	A	92.9	Very high	88.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	164	170.8	0	0	0	0	0	111.2	V644 V678 F687	V644-A712 HydrophobicContact CG1-CB 4.4Å; V678-A712 HydrophobicContact CG2-CB 4.15Å; V678-A712 WeakPolarHBondContact CG2-O 3.32Å; V678-A712 PolarHBondContact N-O 3.03Å; V678-A712 PolarHBondContact O-N 3.26Å; V678-A712 VanDerWaalsContact O-O 3.09Å; F687-A712 HydrophobicContact CE1-CB 3.99Å
713	L	92.2	Very high	88.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.2	174.2	-172.5	70.6	0	0	0	109.3	N645 S646 F663 M665 L675	N645-L713 PolarHBondContact N-O 2.95Å; S646-L713 PolarHBondContact OG-N 3.32Å; F663-L713 HydrophobicContact CB-CB 4.36Å; F663-L713 HydrophobicContact CB-CD2 4.11Å; F663-L713 HydrophobicContact CD2-CB 4.04Å; F663-L713 HydrophobicContact CE2-CB 4.49Å; F663-L713 HydrophobicContact CG-CB 4.12Å; M665-L713 HydrophobicContact CG-CD2 3.99Å; L675-L713 HydrophobicContact CB-CD1 4.15Å; L675-L713 HydrophobicContact CD1-CD2 4.27Å; L675-L713 HydrophobicContact CD2-CD2 4.16Å; L675-L713 HydrophobicContact CD2-CG 4.18Å
714	L	90.7	Very high	87.6	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.6	175.1	-52.7	-176.9	0	0	0	111	L638 E643 V644 L675 K676 V678 F687	L638-L714 HydrophobicContact CD2-CD2 3.78Å; E643-L714 CarbonylContact O-C 3.48Å; E643-L714 VanDerWaalsContact O-CA 3.3Å; E643-L714 WeakPolarHBondContact O-CA 3.39Å; V644-L714 HydrophobicContact CB-CD2 4.2Å; V644-L714 HydrophobicContact CG1-CD2 4.5Å; V644-L714 HydrophobicContact CG2-CD2 3.76Å; L675-L714 CarbonylContact C-O 3.56Å; L675-L714 VanDerWaalsContact CA-O 3.3Å; L675-L714 WeakPolarHBondContact CA-O 3.36Å; K676-L714 HydrophobicContact CB-CB 4.35Å; K676-L714 PolarHBondContact N-O 3.07Å; K676-L714 PolarHBondContact O-N 2.83Å; V678-L714 HydrophobicContact CB-CD1 4.49Å; V678-L714 HydrophobicContact CG1-CD1 3.8Å; V678-L714 HydrophobicContact CG1-CG 4.12Å; V678-L714 HydrophobicContact CG2-CD1 3.94Å; V678-L714 HydrophobicContact CG2-CD2 4.12Å; V678-L714 HydrophobicContact CG2-CG 3.66Å; F687-L714 HydrophobicContact CB-CD1 4.48Å
715	L	89.8	Confident	87.3	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.3	170.8	177.7	63.6	0	0	0	109.7	S642 E643 N645 R669 F673 L675	S642-L715 CarbonylContact C-O 3.56Å; S642-L715 VanDerWaalsContact CA-O 3.27Å; S642-L715 WeakPolarHBondContact CA-O 3.38Å; E643-L715 HydrophobicContact CG-CB 4.46Å; E643-L715 PolarHBondContact N-O 2.99Å; E643-L715 PolarHBondContact O-N 2.86Å; N645-L715 HydrophobicContact CB-CB 3.75Å; R669-L715 HydrophobicContact CG-CD1 3.96Å; F673-L715 HydrophobicContact CB-CD1 4.02Å; L675-L715 HydrophobicContact CD2-CB 4.01Å; L675-L715 HydrophobicContact CD2-CD1 3.69Å; L675-L715 HydrophobicContact CD2-CG 4.45Å; L675-L715 HydrophobicContact CG-CD1 4.46Å
716	S	86.2	Confident	86.9	Confident	25 Å²	25	49.3 Å²	49.3	18%	0.175	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	143.9	171.6	-175.1	0	0	0	0	110.9	F673 Q674 E718	F673-S716 VanDerWaalsContact CD1-O 3.28Å; F673-S716 WeakPolarHBondContact CD1-O 3.21Å; Q674-S716 WeakPolarHBondContact O-CB 3.17Å; Q674-S716 PolarHBondContact O-N 3.44Å; S716-E718 VanDerWaalsContact C-N 3.34Å; S716-E718 WeakPolarHBondContact CB-O 3.49Å; S716-E718 PolarHBondContact OG-N 2.7Å; S716-E718 PolarHBondContact OG-O 3.37Å
717	K	83.3	Confident	86.8	Confident	103 Å²	103	51.2 Å²	51.2	45%	0.448	27%	0.27	S	S	.	.	S	Bend	trans	-81.8	-17.1	173.3	-65.1	-172.7	-167.9	163.6	0	112.9	N640 K641 S642 F673	N640-K717 VanDerWaalsContact O-CD 3.31Å; N640-K717 WeakPolarHBondContact O-CD 3.16Å; N640-K717 WeakPolarHBondContact O-CE 3.34Å; N640-K717 PolarHBondContact O-NZ 3.08Å; K641-K717 PolarHBondContact O-N 2.98Å; S642-K717 WeakPolarHBondContact O-CE 3.44Å; F673-K717 WeakPolarHBondContact CE1-O 3.26Å
718	E	79.6	Confident	86.8	Confident	113 Å²	113	51.5 Å²	51.5	53%	0.528	28%	0.275	S	S	.	.	S	Bend	trans	-125.9	149.2	-177.6	-66.9	-178.6	166.7	0	0	111	S716	S716-E718 VanDerWaalsContact C-N 3.34Å; S716-E718 WeakPolarHBondContact CB-O 3.49Å; S716-E718 PolarHBondContact OG-N 2.7Å; S716-E718 PolarHBondContact OG-O 3.37Å
719	P	80.1	Confident	86.9	Confident	64 Å²	64	50.9 Å²	50.9	42%	0.416	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-65.4	151.6	173.9	29.4	-34.1	0	0	0	110.5	F673 E721	F673-P719 HydrophobicContact CD2-CB 4.06Å; F673-P719 HydrophobicContact CE2-CB 3.73Å; F673-P719 HydrophobicContact CE2-CG 4.31Å; F673-P719 HydrophobicContact CZ-CB 4.24Å; F673-P719 HydrophobicContact CZ-CG 4.41Å; P719-E721 PolarHBondContact O-N 3Å
720	L	82.4	Confident	86.9	Confident	46 Å²	46	52.8 Å²	52.8	24%	0.241	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-65	122	177.5	-169.1	63.6	0	0	0	110.2	N672 L962 T963 Y969	N672-L720 WeakPolarHBondContact O-CB 3.33Å; N672-L720 PolarHBondContact O-N 2.9Å; L720-L962 HydrophobicContact CD2-CB 4.49Å; L720-T963 HydrophobicContact CD2-CG2 4.22Å; L720-Y969 HydrophobicContact CD2-CE1 4.2Å; L720-Y969 WeakPolarHBondContact CD2-OH 3.17Å
721	E	80.1	Confident	86.9	Confident	157 Å²	157	56.9 Å²	56.9	73%	0.734	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-88.6	131.9	176.9	-62.6	-167.6	150.8	0	0	110.9	P719 P723	P719-E721 PolarHBondContact O-N 3Å; E721-P723 WeakPolarHBondContact O-CD 3.14Å
722	V	83.3	Confident	86.9	Confident	12 Å²	12	56.8 Å²	56.8	7%	0.073	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-75.7	118	172	-176.4	0	0	0	0	108.5	G724 L725 L962 Y969 Y973	V722-G724 PolarHBondContact O-N 2.93Å; V722-L725 HydrophobicContact CB-CB 3.81Å; V722-L725 HydrophobicContact CB-CD2 3.88Å; V722-L725 HydrophobicContact CB-CG 4.45Å; V722-L725 HydrophobicContact CG1-CB 3.97Å; V722-L725 HydrophobicContact CG1-CD2 4.32Å; V722-L725 HydrophobicContact CG2-CD2 4.07Å; V722-L725 PolarHBondContact O-N 3.09Å; V722-L962 HydrophobicContact CG2-CD2 3.32Å; V722-L962 HydrophobicContact CG2-CG 4.48Å; V722-Y969 HydrophobicContact CG1-CG 4.4Å; V722-Y969 HydrophobicContact CG2-CD1 3.91Å; V722-Y969 HydrophobicContact CG2-CE1 4.19Å; V722-Y973 HydrophobicContact CG1-CD2 4.25Å; V722-Y973 HydrophobicContact CG1-CE2 3.52Å
723	P	84.3	Confident	86.9	Confident	97 Å²	97	57.3 Å²	57.3	63%	0.63	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	114.3	-172.3	-22.4	32.5	0	0	0	111.7	E721 Y973	E721-P723 WeakPolarHBondContact O-CD 3.14Å; P723-Y973 PolarHBondContact O-OH 3.29Å
724	G	83	Confident	86.9	Confident	35 Å²	35	60.2 Å²	60.2	36%	0.361	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-8.8	175.6	0	0	0	0	0	116.3	V722 T726 Y727 V728	V722-G724 PolarHBondContact O-N 2.93Å; G724-T726 VanDerWaalsContact C-N 3.33Å; G724-T726 PolarHBondContact O-N 3.45Å; G724-Y727 PolarHBondContact O-N 2.78Å; G724-V728 PolarHBondContact O-N 3.22Å
725	L	86.4	Confident	87.2	Confident	24 Å²	24	62.3 Å²	62.3	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-63.8	-35.5	-175.1	-171.4	67.3	0	0	0	113.2	V722 Y727 V728 T729 E972 Y973 T976	V722-L725 HydrophobicContact CB-CB 3.81Å; V722-L725 HydrophobicContact CB-CD2 3.88Å; V722-L725 HydrophobicContact CB-CG 4.45Å; V722-L725 HydrophobicContact CG1-CB 3.97Å; V722-L725 HydrophobicContact CG1-CD2 4.32Å; V722-L725 HydrophobicContact CG2-CD2 4.07Å; V722-L725 PolarHBondContact O-N 3.09Å; L725-Y727 PolarHBondContact O-N 3.23Å; L725-V728 PolarHBondContact O-N 2.88Å; L725-T729 WeakPolarHBondContact O-CB 3.28Å; L725-T729 PolarHBondContact O-N 2.98Å; L725-T729 PolarHBondContact O-OG1 3.48Å; L725-E972 HydrophobicContact CD2-CB 4.08Å; L725-Y973 HydrophobicContact CB-CE1 4.4Å; L725-Y973 HydrophobicContact CD1-CD1 3.58Å; L725-Y973 HydrophobicContact CD1-CE1 3.71Å; L725-Y973 HydrophobicContact CD1-CG 4.17Å; L725-T976 HydrophobicContact CD1-CG2 4.03Å
726	T	85.7	Confident	87.4	Confident	82 Å²	82	62 Å²	62	50%	0.503	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-43.2	177.3	-53.6	0	0	0	0	111.9	G724 T729 Y730	G724-T726 VanDerWaalsContact C-N 3.33Å; G724-T726 PolarHBondContact O-N 3.45Å; T726-T729 WeakPolarHBondContact O-CB 3.37Å; T726-T729 PolarHBondContact O-N 3.37Å; T726-Y730 HydrophobicContact CG2-CD2 4.06Å; T726-Y730 HydrophobicContact CG2-CE2 3.48Å; T726-Y730 VanDerWaalsContact CG2-CE2 3.48Å; T726-Y730 WeakPolarHBondContact O-CD2 3.21Å; T726-Y730 PolarHBondContact O-N 2.99Å
727	Y	88.1	Confident	87.9	Confident	178 Å²	178	61.8 Å²	61.8	70%	0.698	33%	0.333	S	S	*	.	H	α-helix	trans	-65	-43.2	177.2	-62.8	-77.5	0	0	0	111.7	G724 L725 T729 Y730 V731	G724-Y727 PolarHBondContact O-N 2.78Å; L725-Y727 PolarHBondContact O-N 3.23Å; Y727-T729 VanDerWaalsContact C-N 3.31Å; Y727-T729 PolarHBondContact O-N 3.32Å; Y727-Y730 PolarHBondContact O-N 3.34Å; Y727-V731 WeakPolarHBondContact O-CG2 3.48Å; Y727-V731 PolarHBondContact O-N 2.95Å
728	V	91.1	Very high	88.5	Confident	48 Å²	48	62.5 Å²	62.5	29%	0.291	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-43.8	175.7	175.6	0	0	0	0	110.7	G724 L725 Y730 V731 A732 Y973 T976 I977	G724-V728 PolarHBondContact O-N 3.22Å; L725-V728 PolarHBondContact O-N 2.88Å; V728-Y730 PolarHBondContact O-N 2.71Å; V728-V731 PolarHBondContact O-N 2.99Å; V728-A732 VanDerWaalsContact O-CB 3.23Å; V728-A732 WeakPolarHBondContact O-CB 3.1Å; V728-A732 PolarHBondContact O-N 2.94Å; V728-Y973 HydrophobicContact CG2-CE1 4.3Å; V728-T976 HydrophobicContact CG1-CG2 4.34Å; V728-I977 HydrophobicContact CG1-CG1 3.91Å
729	T	90.4	Very high	89.2	Confident	24 Å²	24	57.6 Å²	57.6	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-47.4	178.1	-55.9	0	0	0	0	111.3	L725 T726 Y727 A732 L733 F781 T976	L725-T729 WeakPolarHBondContact O-CB 3.28Å; L725-T729 PolarHBondContact O-N 2.98Å; L725-T729 PolarHBondContact O-OG1 3.48Å; T726-T729 WeakPolarHBondContact O-CB 3.37Å; T726-T729 PolarHBondContact O-N 3.37Å; Y727-T729 VanDerWaalsContact C-N 3.31Å; Y727-T729 PolarHBondContact O-N 3.32Å; T729-A732 PolarHBondContact O-N 3.29Å; T729-L733 HydrophobicContact CG2-CD1 3.8Å; T729-L733 HydrophobicContact CG2-CG 4.35Å; T729-L733 WeakPolarHBondContact O-CB 3.47Å; T729-L733 WeakPolarHBondContact O-CG 3.29Å; T729-L733 PolarHBondContact O-N 2.83Å; T729-F781 HydrophobicContact CG2-CE1 3.77Å; T729-F781 HydrophobicContact CG2-CZ 4.24Å; T729-T976 WeakPolarHBondContact OG1-CG2 3.33Å
730	Y	90.5	Very high	89.9	Confident	73 Å²	73	54.5 Å²	54.5	29%	0.286	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-45	179.1	-70.9	-40.2	0	0	0	113.2	T726 Y727 V728 S734 L782 S785	T726-Y730 HydrophobicContact CG2-CD2 4.06Å; T726-Y730 HydrophobicContact CG2-CE2 3.48Å; T726-Y730 VanDerWaalsContact CG2-CE2 3.48Å; T726-Y730 WeakPolarHBondContact O-CD2 3.21Å; T726-Y730 PolarHBondContact O-N 2.99Å; Y727-Y730 PolarHBondContact O-N 3.34Å; V728-Y730 PolarHBondContact O-N 2.71Å; Y730-S734 VanDerWaalsContact O-CB 3.24Å; Y730-S734 WeakPolarHBondContact O-CB 3.43Å; Y730-S734 PolarHBondContact O-N 2.9Å; Y730-S734 PolarHBondContact O-OG 3.12Å; Y730-L782 HydrophobicContact CD1-CD2 3.78Å; Y730-L782 HydrophobicContact CE1-CD2 4.41Å; Y730-S785 WeakPolarHBondContact OH-CB 3.45Å; Y730-S785 PolarHBondContact OH-O 3.15Å
731	V	92.1	Very high	90.6	Very high	91 Å²	91	55.5 Å²	55.5	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-63.7	-48.8	178.2	172.9	0	0	0	0	110.5	Y727 V728 S734 V735	Y727-V731 WeakPolarHBondContact O-CG2 3.48Å; Y727-V731 PolarHBondContact O-N 2.95Å; V728-V731 PolarHBondContact O-N 2.99Å; V731-S734 PolarHBondContact O-N 2.79Å; V731-V735 WeakPolarHBondContact O-CG2 3.44Å; V731-V735 PolarHBondContact O-N 3.08Å; V731-V735 VanDerWaalsContact O-N 3.08Å
732	A	92.6	Very high	91.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-50.2	-177.8	0	0	0	0	0	112	V728 T729 S734 V735 S736 G980 F981	V728-A732 VanDerWaalsContact O-CB 3.23Å; V728-A732 WeakPolarHBondContact O-CB 3.1Å; V728-A732 PolarHBondContact O-N 2.94Å; T729-A732 PolarHBondContact O-N 3.29Å; A732-S734 PolarHBondContact O-N 2.99Å; A732-V735 PolarHBondContact O-N 2.7Å; A732-S736 WeakPolarHBondContact O-CB 2.96Å; A732-S736 PolarHBondContact O-N 3.39Å; A732-G980 CarbonylContact C-O 3.57Å; A732-G980 VanDerWaalsContact O-O 3.11Å; A732-F981 HydrophobicContact CB-CD2 3.74Å; A732-F981 HydrophobicContact CB-CE1 4.38Å; A732-F981 HydrophobicContact CB-CE2 3.53Å; A732-F981 HydrophobicContact CB-CG 4.25Å; A732-F981 HydrophobicContact CB-CZ 3.88Å
733	L	93.3	Very high	91.6	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.063	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-37.6	179.8	-69.8	179.1	0	0	0	112.4	T729 S736 V737 F781 L782	T729-L733 HydrophobicContact CG2-CD1 3.8Å; T729-L733 HydrophobicContact CG2-CG 4.35Å; T729-L733 WeakPolarHBondContact O-CB 3.47Å; T729-L733 WeakPolarHBondContact O-CG 3.29Å; T729-L733 PolarHBondContact O-N 2.83Å; L733-S736 PolarHBondContact O-N 3.25Å; L733-V737 WeakPolarHBondContact O-CG2 3.34Å; L733-V737 PolarHBondContact O-N 2.9Å; L733-F781 HydrophobicContact CD1-CB 4.46Å; L733-F781 HydrophobicContact CD1-CD1 3.25Å; L733-F781 HydrophobicContact CD1-CE1 3.59Å; L733-F781 HydrophobicContact CD1-CG 3.98Å; L733-L782 HydrophobicContact CB-CD1 4.3Å; L733-L782 HydrophobicContact CB-CD2 3.94Å; L733-L782 HydrophobicContact CB-CG 4.2Å; L733-L782 HydrophobicContact CD1-CD2 4.23Å
734	S	92.9	Very high	92.1	Very high	61 Å²	61	46.9 Å²	46.9	43%	0.427	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-45.6	177.4	-60.4	0	0	0	0	111.7	Y730 V731 A732 S736 V737 L738	Y730-S734 VanDerWaalsContact O-CB 3.24Å; Y730-S734 WeakPolarHBondContact O-CB 3.43Å; Y730-S734 PolarHBondContact O-N 2.9Å; Y730-S734 PolarHBondContact O-OG 3.12Å; V731-S734 PolarHBondContact O-N 2.79Å; A732-S734 PolarHBondContact O-N 2.99Å; S734-S736 VanDerWaalsContact C-N 3.32Å; S734-S736 PolarHBondContact O-N 3.5Å; S734-V737 PolarHBondContact O-N 3.07Å; S734-L738 PolarHBondContact O-N 3.38Å; S734-L738 VanDerWaalsContact O-N 3.12Å
735	V	95.1	Very high	92.5	Very high	56 Å²	56	48.8 Å²	48.8	34%	0.339	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-40.8	174.9	173.4	0	0	0	0	111	V731 A732 L738 S739 F981 F984	V731-V735 WeakPolarHBondContact O-CG2 3.44Å; V731-V735 PolarHBondContact O-N 3.08Å; V731-V735 VanDerWaalsContact O-N 3.08Å; A732-V735 PolarHBondContact O-N 2.7Å; V735-L738 PolarHBondContact O-N 3.19Å; V735-S739 WeakPolarHBondContact O-CB 3.3Å; V735-S739 PolarHBondContact O-N 2.77Å; V735-S739 PolarHBondContact O-OG 3.45Å; V735-F981 HydrophobicContact CB-CD1 4.26Å; V735-F981 HydrophobicContact CB-CE1 3.81Å; V735-F981 HydrophobicContact CG1-CD1 4.06Å; V735-F981 HydrophobicContact CG1-CE1 3.83Å; V735-F981 HydrophobicContact CG2-CE1 4.21Å; V735-F984 HydrophobicContact CG1-CB 4.48Å; V735-F984 HydrophobicContact CG1-CD2 4.47Å
736	S	95.2	Very high	92.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-42.2	176.2	178.5	0	0	0	0	112.4	A732 L733 S734 S739 L740 G980 G983	A732-S736 WeakPolarHBondContact O-CB 2.96Å; A732-S736 PolarHBondContact O-N 3.39Å; L733-S736 PolarHBondContact O-N 3.25Å; S734-S736 VanDerWaalsContact C-N 3.32Å; S734-S736 PolarHBondContact O-N 3.5Å; S736-S739 PolarHBondContact O-N 3.37Å; S736-L740 WeakPolarHBondContact O-CB 2.89Å; S736-L740 VanDerWaalsContact O-CG 3.23Å; S736-L740 WeakPolarHBondContact O-CG 2.68Å; S736-L740 PolarHBondContact O-N 2Å; S736-G980 WeakPolarHBondContact CB-O 3.44Å; S736-G983 WeakPolarHBondContact OG-CA 3.46Å; S736-G983 PolarHBondContact OG-N 3.34Å
737	V	95.9	Very high	92.8	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-48.6	178.1	164.5	0	0	0	0	110.4	L733 S734 S739 L740 V741 L775 N778 L779 L782	L733-V737 WeakPolarHBondContact O-CG2 3.34Å; L733-V737 PolarHBondContact O-N 2.9Å; S734-V737 PolarHBondContact O-N 3.07Å; V737-S739 VanDerWaalsContact C-N 3.3Å; V737-S739 PolarHBondContact O-N 3Å; V737-L740 PolarHBondContact O-N 3.36Å; V737-V741 WeakPolarHBondContact O-CG2 3.26Å; V737-V741 PolarHBondContact O-N 3.24Å; V737-V741 VanDerWaalsContact O-N 3.08Å; V737-L775 HydrophobicContact CB-CD1 4.42Å; V737-L775 HydrophobicContact CG1-CD1 3.82Å; V737-L775 HydrophobicContact CG2-CD1 4.42Å; V737-N778 HydrophobicContact CG2-CB 3.77Å; V737-L779 HydrophobicContact CG1-CD2 3.99Å; V737-L782 HydrophobicContact CG2-CD1 4.15Å
738	L	95.9	Very high	92.8	Very high	118 Å²	118	42.1 Å²	42.1	62%	0.618	24%	0.239	S	C	*	.	H	α-helix	trans	-58.8	-44.1	176.3	-179	61.8	0	0	0	111.5	S734 V735 L740 V741 V742	S734-L738 PolarHBondContact O-N 3.38Å; S734-L738 VanDerWaalsContact O-N 3.12Å; V735-L738 PolarHBondContact O-N 3.19Å; L738-L740 PolarHBondContact O-N 3.31Å; L738-V741 PolarHBondContact O-N 3.23Å; L738-V742 WeakPolarHBondContact O-CG2 3.49Å; L738-V742 PolarHBondContact O-N 3Å; L738-V742 VanDerWaalsContact O-N 3.07Å
739	S	94.9	Very high	92.6	Very high	9 Å²	9	43 Å²	43	6%	0.063	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-42.5	178.8	-58	0	0	0	0	112.3	V735 S736 V737 V742 T743	V735-S739 WeakPolarHBondContact O-CB 3.3Å; V735-S739 PolarHBondContact O-N 2.77Å; V735-S739 PolarHBondContact O-OG 3.45Å; S736-S739 PolarHBondContact O-N 3.37Å; V737-S739 VanDerWaalsContact C-N 3.3Å; V737-S739 PolarHBondContact O-N 3Å; S739-V742 PolarHBondContact O-N 3.16Å; S739-T743 PolarHBondContact O-N 3.42Å; S739-T743 PolarHBondContact O-OG1 2.89Å; S739-T743 VanDerWaalsContact O-OG1 3.08Å
740	L	94.9	Very high	92.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-40.9	178.4	-73.3	165.4	0	0	0	112.4	S736 V737 L738 V742 T743 L744 C771 L774 L775 I986	S736-L740 WeakPolarHBondContact O-CB 2.89Å; S736-L740 VanDerWaalsContact O-CG 3.23Å; S736-L740 WeakPolarHBondContact O-CG 2.68Å; S736-L740 PolarHBondContact O-N 2Å; V737-L740 PolarHBondContact O-N 3.36Å; L738-L740 PolarHBondContact O-N 3.31Å; L740-V742 VanDerWaalsContact C-N 3.35Å; L740-T743 PolarHBondContact O-N 3.37Å; L740-L744 WeakPolarHBondContact O-CG 3.48Å; L740-L744 PolarHBondContact O-N 2.67Å; L740-C771 HydrophobicContact CD2-CB 3.96Å; L740-L774 HydrophobicContact CD1-CB 4.18Å; L740-L774 HydrophobicContact CD1-CD2 4.08Å; L740-L774 HydrophobicContact CD1-CG 3.91Å; L740-L774 HydrophobicContact CD2-CD2 4.22Å; L740-L775 HydrophobicContact CB-CB 4.4Å; L740-L775 HydrophobicContact CB-CD1 4.35Å; L740-L775 HydrophobicContact CD1-CB 4.28Å; L740-I986 HydrophobicContact CD2-CD1 4.4Å
741	V	95.9	Very high	92.3	Very high	66 Å²	66	41.9 Å²	41.9	40%	0.4	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-47.2	174.6	173.1	0	0	0	0	110.1	V737 L738 T743 L744 V745 L775	V737-V741 WeakPolarHBondContact O-CG2 3.26Å; V737-V741 PolarHBondContact O-N 3.24Å; V737-V741 VanDerWaalsContact O-N 3.08Å; L738-V741 PolarHBondContact O-N 3.23Å; V741-T743 PolarHBondContact O-N 3.48Å; V741-L744 PolarHBondContact O-N 3.34Å; V741-V745 WeakPolarHBondContact O-CG2 3.38Å; V741-V745 PolarHBondContact O-N 2.83Å; V741-L775 HydrophobicContact CG2-CD1 4.05Å; V741-L775 HydrophobicContact CG2-CD2 4.14Å
742	V	93.8	Very high	91.8	Very high	59 Å²	59	42.8 Å²	42.8	36%	0.358	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-45	176.6	173.1	0	0	0	0	111.2	L738 S739 L740 L744 V745 I746 L987	L738-V742 WeakPolarHBondContact O-CG2 3.49Å; L738-V742 PolarHBondContact O-N 3Å; L738-V742 VanDerWaalsContact O-N 3.07Å; S739-V742 PolarHBondContact O-N 3.16Å; L740-V742 VanDerWaalsContact C-N 3.35Å; V742-L744 PolarHBondContact O-N 3.09Å; V742-V745 PolarHBondContact O-N 3.4Å; V742-I746 HydrophobicContact CG1-CD1 3.73Å; V742-I746 HydrophobicContact CG1-CG1 4.39Å; V742-I746 WeakPolarHBondContact O-CG1 3.36Å; V742-I746 PolarHBondContact O-N 2.87Å; V742-L987 HydrophobicContact CB-CD1 4.46Å; V742-L987 HydrophobicContact CG1-CD1 3.9Å; V742-L987 HydrophobicContact CG1-CD2 4.43Å
743	T	91.9	Very high	91.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-48.1	176.9	-63.4	0	0	0	0	112.1	S739 L740 V741 V745 I746 E747 I986 L987	S739-T743 PolarHBondContact O-N 3.42Å; S739-T743 PolarHBondContact O-OG1 2.89Å; S739-T743 VanDerWaalsContact O-OG1 3.08Å; L740-T743 PolarHBondContact O-N 3.37Å; V741-T743 PolarHBondContact O-N 3.48Å; T743-V745 VanDerWaalsContact C-N 3.33Å; T743-V745 PolarHBondContact O-N 3.08Å; T743-I746 PolarHBondContact O-N 3.05Å; T743-E747 HydrophobicContact CG2-CG 4.37Å; T743-E747 WeakPolarHBondContact O-CB 3.47Å; T743-E747 WeakPolarHBondContact O-CG 3.22Å; T743-E747 PolarHBondContact O-N 3.36Å; T743-I986 HydrophobicContact CG2-CG2 4.27Å; T743-L987 WeakPolarHBondContact OG1-CA 3.18Å; T743-L987 WeakPolarHBondContact OG1-CB 3.41Å; T743-L987 VanDerWaalsContact OG1-CD1 3.28Å; T743-L987 WeakPolarHBondContact OG1-CD1 3.28Å
744	L	93.6	Very high	90.5	Very high	26 Å²	26	45.5 Å²	45.5	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-42.2	179.1	-73.4	170.2	0	0	0	111.5	L740 V741 V742 E747 L748 V768 C771 L775	L740-L744 WeakPolarHBondContact O-CG 3.48Å; L740-L744 PolarHBondContact O-N 2.67Å; V741-L744 PolarHBondContact O-N 3.34Å; V742-L744 PolarHBondContact O-N 3.09Å; L744-E747 PolarHBondContact O-N 3.32Å; L744-L748 WeakPolarHBondContact O-CB 3.36Å; L744-L748 WeakPolarHBondContact O-CG 3.19Å; L744-L748 PolarHBondContact O-N 3.18Å; L744-V768 HydrophobicContact CD2-CG1 4.03Å; L744-C771 HydrophobicContact CD1-CB 4.43Å; L744-C771 HydrophobicContact CD2-CB 3.7Å; L744-C771 HydrophobicContact CG-CB 3.95Å; L744-L775 HydrophobicContact CD1-CD2 3.89Å
745	V	92.4	Very high	90	Very high	74 Å²	74	43.9 Å²	43.9	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-43.9	176.2	172	0	0	0	0	111.4	V741 V742 T743 L748 I749	V741-V745 WeakPolarHBondContact O-CG2 3.38Å; V741-V745 PolarHBondContact O-N 2.83Å; V742-V745 PolarHBondContact O-N 3.4Å; T743-V745 VanDerWaalsContact C-N 3.33Å; T743-V745 PolarHBondContact O-N 3.08Å; V745-L748 PolarHBondContact O-N 3.02Å; V745-I749 HydrophobicContact CG1-CD1 3.81Å; V745-I749 VanDerWaalsContact O-CG1 3.25Å; V745-I749 WeakPolarHBondContact O-CG1 3.45Å; V745-I749 PolarHBondContact O-N 3.16Å
746	I	89.8	Confident	89.1	Confident	15 Å²	15	48.6 Å²	48.6	8%	0.077	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-47.3	177.8	-68.9	168.6	0	0	0	111	V742 T743 L748 I749 V750 L987 C991 T997 L1001	V742-I746 HydrophobicContact CG1-CD1 3.73Å; V742-I746 HydrophobicContact CG1-CG1 4.39Å; V742-I746 WeakPolarHBondContact O-CG1 3.36Å; V742-I746 PolarHBondContact O-N 2.87Å; T743-I746 PolarHBondContact O-N 3.05Å; I746-L748 VanDerWaalsContact C-N 3.3Å; I746-L748 PolarHBondContact O-N 3.33Å; I746-I749 PolarHBondContact O-N 2.79Å; I746-V750 HydrophobicContact CG2-CG2 4.41Å; I746-V750 WeakPolarHBondContact O-CB 3.23Å; I746-V750 WeakPolarHBondContact O-CG2 3.37Å; I746-V750 PolarHBondContact O-N 2.79Å; I746-L987 HydrophobicContact CD1-CD1 4.17Å; I746-C991 HydrophobicContact CD1-CB 4.02Å; I746-C991 HydrophobicContact CG2-CB 4.24Å; I746-T997 HydrophobicContact CG2-CG2 4.11Å; I746-L1001 HydrophobicContact CD1-CD2 4.34Å; I746-L1001 HydrophobicContact CG1-CD2 4.49Å; I746-L1001 HydrophobicContact CG2-CD2 4.23Å
747	E	87.8	Confident	88.2	Confident	2 Å²	2	52 Å²	52	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-41	178.2	-76.7	-69.3	164.3	0	0	111.7	T743 L744 V750 W751 H764 V768 T990	T743-E747 HydrophobicContact CG2-CG 4.37Å; T743-E747 WeakPolarHBondContact O-CB 3.47Å; T743-E747 WeakPolarHBondContact O-CG 3.22Å; T743-E747 PolarHBondContact O-N 3.36Å; L744-E747 PolarHBondContact O-N 3.32Å; E747-V750 PolarHBondContact O-N 3.1Å; E747-W751 WeakPolarHBondContact O-CA 3.35Å; E747-W751 WeakPolarHBondContact O-CB 3.34Å; E747-W751 PolarHBondContact O-N 3Å; E747-H764 IonicContact OE1-CE1 2.77Å; E747-H764 IonicContact OE1-ND1 3.59Å; E747-H764 PolarHBondContact OE1-ND1 3.33Å; E747-H764 IonicContact OE2-CE1 3.87Å; E747-H764 IonicContact OE2-CG 3.4Å; E747-H764 IonicContact OE2-ND1 2.77Å; E747-H764 PolarHBondContact OE2-ND1 2.82Å; E747-V768 HydrophobicContact CB-CG2 4.08Å; E747-V768 HydrophobicContact CG-CG2 4.43Å; E747-T990 WeakPolarHBondContact OE1-CG2 3.4Å
748	L	88.1	Confident	87.2	Confident	127 Å²	127	53.7 Å²	53.7	67%	0.665	30%	0.296	S	S	*	.	H	α-helix	trans	-64	-41.6	175.3	-73.1	172.9	0	0	0	112.7	L744 V745 I746	L744-L748 WeakPolarHBondContact O-CB 3.36Å; L744-L748 WeakPolarHBondContact O-CG 3.19Å; L744-L748 PolarHBondContact O-N 3.18Å; V745-L748 PolarHBondContact O-N 3.02Å; I746-L748 VanDerWaalsContact C-N 3.3Å; I746-L748 PolarHBondContact O-N 3.33Å
749	I	87.3	Confident	86	Confident	66 Å²	66	51 Å²	51	34%	0.338	29%	0.285	S	S	.	.	H	α-helix	trans	-65.8	-43.2	178.8	-70.8	166	0	0	0	111	V745 I746 Y1004	V745-I749 HydrophobicContact CG1-CD1 3.81Å; V745-I749 VanDerWaalsContact O-CG1 3.25Å; V745-I749 WeakPolarHBondContact O-CG1 3.45Å; V745-I749 PolarHBondContact O-N 3.16Å; I746-I749 PolarHBondContact O-N 2.79Å; I749-Y1004 HydrophobicContact CD1-CE1 4.42Å; I749-Y1004 HydrophobicContact CG2-CD1 3.55Å; I749-Y1004 HydrophobicContact CG2-CD2 3.97Å; I749-Y1004 HydrophobicContact CG2-CE1 3.62Å; I749-Y1004 HydrophobicContact CG2-CE2 4.06Å; I749-Y1004 HydrophobicContact CG2-CG 3.71Å
750	V	87.8	Confident	85.2	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-91.8	-9.4	-169.5	172.4	0	0	0	0	112.5	I746 E747 S752 D753 V754 T997 A1000 L1001	I746-V750 HydrophobicContact CG2-CG2 4.41Å; I746-V750 WeakPolarHBondContact O-CB 3.23Å; I746-V750 WeakPolarHBondContact O-CG2 3.37Å; I746-V750 PolarHBondContact O-N 2.79Å; E747-V750 PolarHBondContact O-N 3.1Å; V750-S752 PolarHBondContact O-N 2.79Å; V750-D753 PolarHBondContact O-N 2.8Å; V750-V754 HydrophobicContact CG1-CB 4.15Å; V750-V754 HydrophobicContact CG1-CG1 3.28Å; V750-V754 HydrophobicContact CG1-CG2 3.87Å; V750-V754 WeakPolarHBondContact O-CG2 3.42Å; V750-V754 PolarHBondContact O-N 2.79Å; V750-T997 HydrophobicContact CG1-CG2 4.25Å; V750-A1000 HydrophobicContact CG1-CB 3.43Å; V750-A1000 VanDerWaalsContact CG1-CB 3.43Å; V750-A1000 HydrophobicContact CG2-CB 4.41Å; V750-L1001 HydrophobicContact CG2-CB 4.06Å; V750-L1001 HydrophobicContact CG2-CD1 4.34Å
751	W	86.1	Confident	84.6	Confident	73 Å²	73	53 Å²	53	28%	0.277	29%	0.293	S	S	.	.	H	α-helix	trans	-43.2	-55.5	-173.7	-170.8	-98.9	0	0	0	114.5	E747 D753 V754 V755 Y761 H764 V768	E747-W751 WeakPolarHBondContact O-CA 3.35Å; E747-W751 WeakPolarHBondContact O-CB 3.34Å; E747-W751 PolarHBondContact O-N 3Å; W751-D753 PolarHBondContact O-N 2.83Å; W751-V754 PolarHBondContact O-N 3.07Å; W751-V755 HydrophobicContact CD2-CG2 3.98Å; W751-V755 HydrophobicContact CE3-CG2 4.18Å; W751-V755 HydrophobicContact CG-CG2 4.34Å; W751-V755 VanDerWaalsContact O-CB 3.22Å; W751-V755 WeakPolarHBondContact O-CB 3.17Å; W751-V755 WeakPolarHBondContact O-CG2 3.24Å; W751-V755 PolarHBondContact O-N 3.11Å; W751-V755 VanDerWaalsContact O-N 3.14Å; W751-Y761 HydrophobicContact CZ2-CD2 4.13Å; W751-Y761 AromaticContact CZ2-CE2 3.69Å; W751-Y761 HydrophobicContact CZ2-CE2 3.69Å; W751-H764 HydrophobicContact CZ3-CB 3.99Å; W751-V768 HydrophobicContact CZ3-CG2 3.98Å
752	S	83.2	Confident	83.9	Confident	110 Å²	110	50.5 Å²	50.5	77%	0.769	28%	0.277	S	S	*	.	H	α-helix	trans	-65.4	-24.5	-176.9	-60.3	0	0	0	0	113.6	V750	V750-S752 PolarHBondContact O-N 2.79Å
753	D	79.1	Confident	83.4	Confident	68 Å²	68	50.5 Å²	50.5	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-88.5	-30.4	-177.3	-80.7	-22.2	0	0	0	113.4	V750 W751 K756 A1000	V750-D753 PolarHBondContact O-N 2.8Å; W751-D753 PolarHBondContact O-N 2.83Å; D753-K756 WeakPolarHBondContact O-CE 3.02Å; D753-A1000 HydrophobicContact CB-CB 3.84Å
754	V	79.6	Confident	83.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-97.9	-21.6	-176.5	-67	0	0	0	0	113.5	V750 W751 K756 M996 A1000	V750-V754 HydrophobicContact CG1-CB 4.15Å; V750-V754 HydrophobicContact CG1-CG1 3.28Å; V750-V754 HydrophobicContact CG1-CG2 3.87Å; V750-V754 WeakPolarHBondContact O-CG2 3.42Å; V750-V754 PolarHBondContact O-N 2.79Å; W751-V754 PolarHBondContact O-N 3.07Å; V754-K756 VanDerWaalsContact C-N 3.26Å; V754-K756 PolarHBondContact O-N 2.83Å; V754-M996 HydrophobicContact CG1-CB 4.22Å; V754-A1000 HydrophobicContact CG1-CB 4.03Å
755	V	80.8	Confident	82.9	Confident	27 Å²	27	49.9 Å²	49.9	16%	0.164	27%	0.268	C	S	.	.			trans	-90.8	51.9	-173.1	-175	0	0	0	0	112.6	W751 Y761 H764	W751-V755 HydrophobicContact CD2-CG2 3.98Å; W751-V755 HydrophobicContact CE3-CG2 4.18Å; W751-V755 HydrophobicContact CG-CG2 4.34Å; W751-V755 VanDerWaalsContact O-CB 3.22Å; W751-V755 WeakPolarHBondContact O-CB 3.17Å; W751-V755 WeakPolarHBondContact O-CG2 3.24Å; W751-V755 PolarHBondContact O-N 3.11Å; W751-V755 VanDerWaalsContact O-N 3.14Å; V755-Y761 HydrophobicContact CG1-CD2 3.3Å; V755-Y761 HydrophobicContact CG1-CE2 4.46Å; V755-Y761 HydrophobicContact CG1-CG 3.74Å; V755-H764 HydrophobicContact CG2-CB 4.26Å
756	K	77.7	Confident	82.7	Confident	155 Å²	155	46.4 Å²	46.4	67%	0.674	25%	0.247	S	C	*	.			trans	-82.9	-24.8	-174.6	-66.5	-174.8	175.7	179.2	0	114.6	D753 V754	D753-K756 WeakPolarHBondContact O-CE 3.02Å; V754-K756 VanDerWaalsContact C-N 3.26Å; V754-K756 PolarHBondContact O-N 2.83Å
757	T	76.2	Confident	82.5	Confident	71 Å²	71	46.7 Å²	46.7	44%	0.436	25%	0.248	S	C	.	.	S	Bend	trans	-118.9	154.3	-179.9	67.6	0	0	0	0	110.9	T759 L760 Y761	T757-T759 PolarHBondContact O-N 2.97Å; T757-L760 HydrophobicContact CG2-CD1 4.36Å; T757-L760 PolarHBondContact O-N 2.8Å; T757-L760 VanDerWaalsContact O-N 3.13Å; T757-L760 WeakPolarHBondContact OG1-CB 3.05Å; T757-L760 WeakPolarHBondContact OG1-CD1 2.96Å; T757-L760 VanDerWaalsContact OG1-CG 3.23Å; T757-L760 WeakPolarHBondContact OG1-CG 3.46Å; T757-L760 PolarHBondContact OG1-N 2.92Å; T757-Y761 PolarHBondContact O-N 3.48Å
758	S	73.6	Confident	82.7	Confident	59 Å²	59	48.2 Å²	48.2	41%	0.413	26%	0.257	S	S	.	.	H	α-helix	trans	-54.1	-41	175.3	-53.6	0	0	0	0	111.6	Y761 L762	S758-Y761 WeakPolarHBondContact O-CB 3.44Å; S758-Y761 PolarHBondContact O-N 3.44Å; S758-L762 WeakPolarHBondContact O-CG 3.43Å; S758-L762 PolarHBondContact O-N 3.1Å
759	T	70.9	Confident	83	Confident	60 Å²	60	43.4 Å²	43.4	37%	0.368	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-47.1	175.3	-71.3	0	0	0	0	113.5	T757 L762 R763 Q824	T757-T759 PolarHBondContact O-N 2.97Å; T759-L762 PolarHBondContact O-N 3.45Å; T759-R763 PolarHBondContact O-N 3.5Å; T759-R763 VanDerWaalsContact O-N 3.07Å; T759-Q824 PolarHBondContact OG1-NE2 2.8Å
760	L	78.1	Confident	83.2	Confident	19 Å²	19	40.3 Å²	40.3	10%	0.099	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-38.9	179.7	-69.7	168.4	0	0	0	110.8	T757 L762 R763 H764 M996	T757-L760 HydrophobicContact CG2-CD1 4.36Å; T757-L760 PolarHBondContact O-N 2.8Å; T757-L760 VanDerWaalsContact O-N 3.13Å; T757-L760 WeakPolarHBondContact OG1-CB 3.05Å; T757-L760 WeakPolarHBondContact OG1-CD1 2.96Å; T757-L760 VanDerWaalsContact OG1-CG 3.23Å; T757-L760 WeakPolarHBondContact OG1-CG 3.46Å; T757-L760 PolarHBondContact OG1-N 2.92Å; L760-L762 VanDerWaalsContact C-N 3.28Å; L760-L762 PolarHBondContact O-N 2.98Å; L760-R763 VanDerWaalsContact CD2-CZ 3.45Å; L760-R763 VanDerWaalsContact CD2-NH2 3.32Å; L760-R763 PolarHBondContact O-N 3.18Å; L760-H764 PolarHBondContact O-CD2 2.84Å; L760-H764 VanDerWaalsContact O-CD2 3.23Å; L760-H764 PolarHBondContact O-N 3.25Å; L760-M996 HydrophobicContact CD1-CE 3.67Å; L760-M996 HydrophobicContact CD1-SD 3.93Å; L760-M996 HydrophobicContact CD2-SD 4.22Å
761	Y	83.6	Confident	83.5	Confident	34 Å²	34	40.3 Å²	40.3	13%	0.133	22%	0.216	C	C	.	.	H	α-helix	trans	-53.9	-46.5	173.6	178.8	-95.1	0	0	0	111.7	W751 V755 T757 S758 T765 R834 L838	W751-Y761 HydrophobicContact CZ2-CD2 4.13Å; W751-Y761 AromaticContact CZ2-CE2 3.69Å; W751-Y761 HydrophobicContact CZ2-CE2 3.69Å; V755-Y761 HydrophobicContact CG1-CD2 3.3Å; V755-Y761 HydrophobicContact CG1-CE2 4.46Å; V755-Y761 HydrophobicContact CG1-CG 3.74Å; T757-Y761 PolarHBondContact O-N 3.48Å; S758-Y761 WeakPolarHBondContact O-CB 3.44Å; S758-Y761 PolarHBondContact O-N 3.44Å; Y761-T765 VanDerWaalsContact O-CB 3.26Å; Y761-T765 WeakPolarHBondContact O-CB 3.25Å; Y761-T765 PolarHBondContact O-N 2.85Å; Y761-T765 PolarHBondContact O-OG1 3.23Å; Y761-R834 HydrophobicContact CD1-CG 3.7Å; Y761-R834 VanDerWaalsContact CD2-CZ 3.49Å; Y761-R834 VanDerWaalsContact CD2-NH2 3.3Å; Y761-R834 HydrophobicContact CE1-CG 3.96Å; Y761-R834 HydrophobicContact CG-CG 4.45Å; Y761-L838 HydrophobicContact CE1-CD1 4.47Å; Y761-L838 HydrophobicContact CE1-CD2 4.24Å
762	L	80.9	Confident	83.9	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-41.7	-178.5	-64	173.6	0	0	0	112.5	S758 T759 L760 T765 A766 Y837	S758-L762 WeakPolarHBondContact O-CG 3.43Å; S758-L762 PolarHBondContact O-N 3.1Å; T759-L762 PolarHBondContact O-N 3.45Å; L760-L762 VanDerWaalsContact C-N 3.28Å; L760-L762 PolarHBondContact O-N 2.98Å; L762-T765 PolarHBondContact O-N 3.3Å; L762-A766 PolarHBondContact O-N 3.18Å; L762-Y837 HydrophobicContact CB-CD1 3.99Å; L762-Y837 HydrophobicContact CB-CE1 3.71Å; L762-Y837 HydrophobicContact CD1-CD1 3.3Å; L762-Y837 HydrophobicContact CD1-CD2 3.93Å; L762-Y837 HydrophobicContact CD1-CE1 3.79Å; L762-Y837 HydrophobicContact CD1-CE2 4.41Å; L762-Y837 HydrophobicContact CD1-CG 3.35Å; L762-Y837 HydrophobicContact CD2-CD1 3.02Å; L762-Y837 HydrophobicContact CD2-CE1 3.51Å; L762-Y837 HydrophobicContact CD2-CG 3.91Å; L762-Y837 HydrophobicContact CG-CD1 3.51Å; L762-Y837 HydrophobicContact CG-CE1 3.8Å; L762-Y837 HydrophobicContact CG-CG 4.11Å
763	R	83	Confident	84.5	Confident	59 Å²	59	35.1 Å²	35.1	22%	0.223	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-51.6	176.5	-173.3	-178.2	71.4	169.6	11.7	111.7	T759 L760 A766 H767 L817 D994	T759-R763 PolarHBondContact O-N 3.5Å; T759-R763 VanDerWaalsContact O-N 3.07Å; L760-R763 VanDerWaalsContact CD2-CZ 3.45Å; L760-R763 VanDerWaalsContact CD2-NH2 3.32Å; L760-R763 PolarHBondContact O-N 3.18Å; R763-A766 PolarHBondContact O-N 3.08Å; R763-H767 PolarHBondContact O-N 2.05Å; R763-H767 VanDerWaalsContact O-N 3.13Å; R763-H767 PolarHBondContact O-ND1 3.35Å; R763-L817 HydrophobicContact CG-CD1 3.97Å; R763-D994 IonicContact CZ-OD1 2.9Å; R763-D994 IonicContact NH1-OD1 2.68Å; R763-D994 IonicContact NH2-OD1 3.66Å; R763-D994 PolarHBondContact NH2-OD1 3.47Å; R763-D994 VanDerWaalsContact NH2-OD1 3.14Å; R763-D994 IonicContact NH2-OD2 3.74Å
764	H	85.7	Confident	85.3	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-35.4	-179.3	-75.2	-89.4	0	0	0	111.9	E747 W751 V755 L760 A766 H767 V768	E747-H764 IonicContact OE1-CE1 2.77Å; E747-H764 IonicContact OE1-ND1 3.59Å; E747-H764 PolarHBondContact OE1-ND1 3.33Å; E747-H764 IonicContact OE2-CE1 3.87Å; E747-H764 IonicContact OE2-CG 3.4Å; E747-H764 IonicContact OE2-ND1 2.77Å; E747-H764 PolarHBondContact OE2-ND1 2.82Å; W751-H764 HydrophobicContact CZ3-CB 3.99Å; V755-H764 HydrophobicContact CG2-CB 4.26Å; L760-H764 PolarHBondContact O-CD2 2.84Å; L760-H764 VanDerWaalsContact O-CD2 3.23Å; L760-H764 PolarHBondContact O-N 3.25Å; H764-A766 PolarHBondContact O-N 2.02Å; H764-H767 PolarHBondContact O-N 2.93Å; H764-V768 WeakPolarHBondContact O-CG2 3.04Å; H764-V768 PolarHBondContact O-N 2.82Å
765	T	88.3	Confident	86.1	Confident	13 Å²	13	33.1 Å²	33.1	8%	0.08	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-46	172.2	-58.8	0	0	0	0	111.5	Y761 L762 H767 V768 N769 L838	Y761-T765 VanDerWaalsContact O-CB 3.26Å; Y761-T765 WeakPolarHBondContact O-CB 3.25Å; Y761-T765 PolarHBondContact O-N 2.85Å; Y761-T765 PolarHBondContact O-OG1 3.23Å; L762-T765 PolarHBondContact O-N 3.3Å; T765-H767 PolarHBondContact O-N 3.05Å; T765-V768 PolarHBondContact O-N 2.93Å; T765-N769 PolarHBondContact O-N 2.87Å; T765-N769 VanDerWaalsContact O-N 3.16Å; T765-N769 PolarHBondContact O-ND2 2.81Å; T765-L838 HydrophobicContact CG2-CD1 4.03Å
766	A	88.3	Confident	86.8	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-43.2	176.9	0	0	0	0	0	111.9	L762 R763 H764 V768 N769 I770 W813 L817	L762-A766 PolarHBondContact O-N 3.18Å; R763-A766 PolarHBondContact O-N 3.08Å; H764-A766 PolarHBondContact O-N 2.02Å; A766-V768 PolarHBondContact O-N 2.91Å; A766-N769 PolarHBondContact O-N 2.93Å; A766-I770 WeakPolarHBondContact O-CB 3.36Å; A766-I770 VanDerWaalsContact O-CG1 3.23Å; A766-I770 WeakPolarHBondContact O-CG1 3.02Å; A766-I770 PolarHBondContact O-N 3.27Å; A766-W813 HydrophobicContact CB-CE3 4.11Å; A766-L817 HydrophobicContact CB-CB 4.12Å; A766-L817 HydrophobicContact CB-CD1 4.43Å
767	H	87.3	Confident	87.6	Confident	21 Å²	21	27.2 Å²	27.2	10%	0.097	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-45.1	176.7	-74.8	91.1	0	0	0	112.7	R763 H764 T765 N769 I770 C771 T990	R763-H767 PolarHBondContact O-N 2.05Å; R763-H767 VanDerWaalsContact O-N 3.13Å; R763-H767 PolarHBondContact O-ND1 3.35Å; H764-H767 PolarHBondContact O-N 2.93Å; T765-H767 PolarHBondContact O-N 3.05Å; H767-N769 VanDerWaalsContact C-N 3.32Å; H767-N769 PolarHBondContact O-N 3.01Å; H767-I770 PolarHBondContact O-N 3.35Å; H767-C771 WeakPolarHBondContact O-CB 3.13Å; H767-C771 PolarHBondContact O-N 2.89Å; H767-C771 PolarHBondContact O-SG 3.3Å; H767-T990 HydrophobicContact CB-CG2 4.41Å
768	V	91.6	Very high	88.4	Confident	33 Å²	33	24 Å²	24	20%	0.2	13%	0.129	C	C	.	.	H	α-helix	trans	-59.1	-43.9	177.5	169.4	0	0	0	0	111.2	L744 E747 W751 H764 T765 A766 C771 L772	L744-V768 HydrophobicContact CD2-CG1 4.03Å; E747-V768 HydrophobicContact CB-CG2 4.08Å; E747-V768 HydrophobicContact CG-CG2 4.43Å; W751-V768 HydrophobicContact CZ3-CG2 3.98Å; H764-V768 WeakPolarHBondContact O-CG2 3.04Å; H764-V768 PolarHBondContact O-N 2.82Å; T765-V768 PolarHBondContact O-N 2.93Å; A766-V768 PolarHBondContact O-N 2.91Å; V768-C771 PolarHBondContact O-N 3.02Å; V768-L772 VanDerWaalsContact O-CB 3.3Å; V768-L772 WeakPolarHBondContact O-CB 3.07Å; V768-L772 PolarHBondContact O-N 3.37Å
769	N	93.1	Very high	89.3	Confident	26 Å²	26	25.3 Å²	25.3	14%	0.139	13%	0.131	C	C	.	.	H	α-helix	trans	-70.9	-37.3	179.7	-71	-77.6	0	0	0	112.5	T765 A766 H767 L772 C773 W813 Y846	T765-N769 PolarHBondContact O-N 2.87Å; T765-N769 VanDerWaalsContact O-N 3.16Å; T765-N769 PolarHBondContact O-ND2 2.81Å; A766-N769 PolarHBondContact O-N 2.93Å; H767-N769 VanDerWaalsContact C-N 3.32Å; H767-N769 PolarHBondContact O-N 3.01Å; N769-L772 PolarHBondContact O-N 3.49Å; N769-C773 WeakPolarHBondContact O-CB 3.35Å; N769-C773 PolarHBondContact O-N 3.47Å; N769-C773 PolarHBondContact O-SG 3.29Å; N769-C773 VanDerWaalsContact O-SG 3.36Å; N769-W813 HydrophobicContact CB-CD2 3.69Å; N769-W813 HydrophobicContact CB-CE3 4.23Å; N769-W813 HydrophobicContact CB-CG 3.92Å; N769-W813 HydrophobicContact CB-CZ2 4.06Å; N769-Y846 WeakPolarHBondContact OD1-CE2 3.16Å; N769-Y846 PolarHBondContact OD1-OH 3.47Å
770	I	92.6	Very high	90.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-50.7	170.9	-70.9	165.9	0	0	0	109.9	A766 H767 L772 L774 M810 W813 L817 I986	A766-I770 WeakPolarHBondContact O-CB 3.36Å; A766-I770 VanDerWaalsContact O-CG1 3.23Å; A766-I770 WeakPolarHBondContact O-CG1 3.02Å; A766-I770 PolarHBondContact O-N 3.27Å; H767-I770 PolarHBondContact O-N 3.35Å; I770-L772 PolarHBondContact O-N 3.32Å; I770-L774 VanDerWaalsContact O-CB 3.24Å; I770-L774 WeakPolarHBondContact O-CB 3.5Å; I770-L774 PolarHBondContact O-N 2.9Å; I770-M810 HydrophobicContact CG2-CG 4.06Å; I770-W813 HydrophobicContact CD1-CB 4.38Å; I770-W813 HydrophobicContact CG1-CB 3.61Å; I770-L817 HydrophobicContact CD1-CD2 4Å; I770-I986 HydrophobicContact CG2-CD1 4.1Å
771	C	94.3	Very high	91	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-43.3	179.6	-71.5	0	0	0	0	112.4	L740 L744 H767 V768 L774 L775	L740-C771 HydrophobicContact CD2-CB 3.96Å; L744-C771 HydrophobicContact CD1-CB 4.43Å; L744-C771 HydrophobicContact CD2-CB 3.7Å; L744-C771 HydrophobicContact CG-CB 3.95Å; H767-C771 WeakPolarHBondContact O-CB 3.13Å; H767-C771 PolarHBondContact O-N 2.89Å; H767-C771 PolarHBondContact O-SG 3.3Å; V768-C771 PolarHBondContact O-N 3.02Å; C771-L774 PolarHBondContact O-N 3.46Å; C771-L775 WeakPolarHBondContact O-CB 3.36Å; C771-L775 PolarHBondContact O-N 3.25Å
772	L	95.1	Very high	91.3	Very high	71 Å²	71	25.3 Å²	25.3	37%	0.372	13%	0.129	S	C	.	.	H	α-helix	trans	-63.3	-49.7	180	179.8	62.8	0	0	0	111.5	V768 N769 I770 L775 I776	V768-L772 VanDerWaalsContact O-CB 3.3Å; V768-L772 WeakPolarHBondContact O-CB 3.07Å; V768-L772 PolarHBondContact O-N 3.37Å; N769-L772 PolarHBondContact O-N 3.49Å; I770-L772 PolarHBondContact O-N 3.32Å; L772-L775 PolarHBondContact O-N 2.96Å; L772-I776 HydrophobicContact CD1-CD1 4.07Å; L772-I776 HydrophobicContact CG-CD1 4.18Å; L772-I776 WeakPolarHBondContact O-CG1 3.46Å; L772-I776 PolarHBondContact O-N 3.44Å; L772-I776 VanDerWaalsContact O-N 3.09Å
773	C	95.9	Very high	91.6	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.02	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-44.1	177.7	-73	0	0	0	0	111.7	N769 L775 I776 G777 C806 M810 Y846	N769-C773 WeakPolarHBondContact O-CB 3.35Å; N769-C773 PolarHBondContact O-N 3.47Å; N769-C773 PolarHBondContact O-SG 3.29Å; N769-C773 VanDerWaalsContact O-SG 3.36Å; C773-L775 PolarHBondContact O-N 2.96Å; C773-I776 PolarHBondContact O-N 3.45Å; C773-G777 PolarHBondContact O-N 3.05Å; C773-C806 WeakPolarHBondContact CB-O 3.39Å; C773-C806 WeakPolarHBondContact O-CB 3.35Å; C773-M810 HydrophobicContact CB-CB 3.97Å; C773-Y846 VanDerWaalsContact SG-CE1 3.59Å; C773-Y846 PolarHBondContact SG-OH 3.27Å
774	L	94	Very high	91.7	Very high	4 Å²	4	25 Å²	25	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-38.4	178.8	-170.2	60.9	0	0	0	112.1	L740 I770 C771 N778 Y807 M810 Q982 I986	L740-L774 HydrophobicContact CD1-CB 4.18Å; L740-L774 HydrophobicContact CD1-CD2 4.08Å; L740-L774 HydrophobicContact CD1-CG 3.91Å; L740-L774 HydrophobicContact CD2-CD2 4.22Å; I770-L774 VanDerWaalsContact O-CB 3.24Å; I770-L774 WeakPolarHBondContact O-CB 3.5Å; I770-L774 PolarHBondContact O-N 2.9Å; C771-L774 PolarHBondContact O-N 3.46Å; L774-N778 WeakPolarHBondContact O-CB 3.17Å; L774-N778 PolarHBondContact O-N 3.06Å; L774-Y807 HydrophobicContact CD1-CD1 4.29Å; L774-Y807 HydrophobicContact CD1-CE1 4.03Å; L774-M810 HydrophobicContact CB-CG 4.35Å; L774-M810 HydrophobicContact CD1-CE 4.44Å; L774-Q982 HydrophobicContact CD2-CB 4.26Å; L774-Q982 HydrophobicContact CD2-CG 4.02Å; L774-I986 HydrophobicContact CD2-CD1 3.94Å
775	L	96.3	Very high	91.4	Very high	22 Å²	22	26.2 Å²	26.2	12%	0.115	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-50.4	176.6	176.3	61.7	0	0	0	111.4	V737 L740 V741 L744 C771 L772 C773 G777 N778 L779	V737-L775 HydrophobicContact CB-CD1 4.42Å; V737-L775 HydrophobicContact CG1-CD1 3.82Å; V737-L775 HydrophobicContact CG2-CD1 4.42Å; L740-L775 HydrophobicContact CB-CB 4.4Å; L740-L775 HydrophobicContact CB-CD1 4.35Å; L740-L775 HydrophobicContact CD1-CB 4.28Å; V741-L775 HydrophobicContact CG2-CD1 4.05Å; V741-L775 HydrophobicContact CG2-CD2 4.14Å; L744-L775 HydrophobicContact CD1-CD2 3.89Å; C771-L775 WeakPolarHBondContact O-CB 3.36Å; C771-L775 PolarHBondContact O-N 3.25Å; L772-L775 PolarHBondContact O-N 2.96Å; C773-L775 PolarHBondContact O-N 2.96Å; L775-G777 PolarHBondContact O-N 3.34Å; L775-N778 PolarHBondContact O-N 3.24Å; L775-L779 HydrophobicContact CD1-CD1 4.1Å; L775-L779 HydrophobicContact CD1-CG 4.24Å; L775-L779 HydrophobicContact CG-CD1 4.15Å; L775-L779 WeakPolarHBondContact O-CB 3.34Å; L775-L779 WeakPolarHBondContact O-CG 3.5Å; L775-L779 PolarHBondContact O-N 2.67Å
776	I	95.8	Very high	90.5	Very high	58 Å²	58	28.9 Å²	28.9	30%	0.297	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-46.2	179.4	-64.5	167.9	0	0	0	110.3	L772 C773 N778 L779 C780 L802 C806	L772-I776 HydrophobicContact CD1-CD1 4.07Å; L772-I776 HydrophobicContact CG-CD1 4.18Å; L772-I776 WeakPolarHBondContact O-CG1 3.46Å; L772-I776 PolarHBondContact O-N 3.44Å; L772-I776 VanDerWaalsContact O-N 3.09Å; C773-I776 PolarHBondContact O-N 3.45Å; I776-N778 PolarHBondContact O-N 3.31Å; I776-L779 PolarHBondContact O-N 3.3Å; I776-C780 PolarHBondContact O-N 3.12Å; I776-C780 PolarHBondContact O-SG 3.18Å; I776-C780 VanDerWaalsContact O-SG 3.34Å; I776-L802 HydrophobicContact CG2-CD1 3.86Å; I776-L802 HydrophobicContact CG2-CD2 3.7Å; I776-L802 HydrophobicContact CG2-CG 3.72Å; I776-C806 VanDerWaalsContact CG2-SG 3.55Å
777	G	94.3	Very high	89.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-46.2	177.4	0	0	0	0	0	112.9	C773 L775 C780 F781 Y807	C773-G777 PolarHBondContact O-N 3.05Å; L775-G777 PolarHBondContact O-N 3.34Å; G777-C780 PolarHBondContact O-N 3.37Å; G777-F781 PolarHBondContact O-N 3.42Å; G777-Y807 VanDerWaalsContact C-OH 3.32Å; G777-Y807 PolarHBondContact O-OH 3.38Å
778	N	94.1	Very high	88.1	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-36.3	-179.6	-71.3	-6.5	0	0	0	113	V737 L774 L775 I776 F781 L782 Y807	V737-N778 HydrophobicContact CG2-CB 3.77Å; L774-N778 WeakPolarHBondContact O-CB 3.17Å; L774-N778 PolarHBondContact O-N 3.06Å; L775-N778 PolarHBondContact O-N 3.24Å; I776-N778 PolarHBondContact O-N 3.31Å; N778-F781 PolarHBondContact O-N 3.29Å; N778-L782 WeakPolarHBondContact O-CG 3.35Å; N778-L782 PolarHBondContact O-N 3.02Å; N778-Y807 WeakPolarHBondContact OD1-CE1 3.29Å; N778-Y807 PolarHBondContact OD1-OH 3.04Å
779	L	93.4	Very high	86.6	Confident	86 Å²	86	43.4 Å²	43.4	45%	0.45	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-44.4	172.1	-73.4	172.6	0	0	0	111.1	V737 L775 I776 F781 L782 A783	V737-L779 HydrophobicContact CG1-CD2 3.99Å; L775-L779 HydrophobicContact CD1-CD1 4.1Å; L775-L779 HydrophobicContact CD1-CG 4.24Å; L775-L779 HydrophobicContact CG-CD1 4.15Å; L775-L779 WeakPolarHBondContact O-CB 3.34Å; L775-L779 WeakPolarHBondContact O-CG 3.5Å; L775-L779 PolarHBondContact O-N 2.67Å; I776-L779 PolarHBondContact O-N 3.3Å; L779-F781 VanDerWaalsContact C-N 3.31Å; L779-F781 PolarHBondContact O-N 3.18Å; L779-L782 PolarHBondContact O-N 2.8Å; L779-A783 WeakPolarHBondContact O-CB 3.28Å; L779-A783 PolarHBondContact O-N 3.07Å
780	C	92.5	Very high	85.4	Confident	16 Å²	16	46.7 Å²	46.7	11%	0.108	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-36	174.7	-68.1	0	0	0	0	112.6	I776 G777 S784 L802 K803	I776-C780 PolarHBondContact O-N 3.12Å; I776-C780 PolarHBondContact O-SG 3.18Å; I776-C780 VanDerWaalsContact O-SG 3.34Å; G777-C780 PolarHBondContact O-N 3.37Å; C780-S784 VanDerWaalsContact O-CB 3.28Å; C780-S784 WeakPolarHBondContact O-CB 3.5Å; C780-S784 PolarHBondContact O-N 3.2Å; C780-S784 VanDerWaalsContact O-N 3.08Å; C780-S784 PolarHBondContact O-OG 2.72Å; C780-L802 WeakPolarHBondContact SG-CD2 3.42Å; C780-K803 HydrophobicContact CB-CD 4.4Å; C780-K803 HydrophobicContact CB-CG 3.58Å; C780-K803 WeakPolarHBondContact O-CE 3.45Å
781	F	90.9	Very high	84.8	Confident	64 Å²	64	47.9 Å²	47.9	28%	0.281	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-56.4	175.1	-168.3	-79	0	0	0	110.8	T729 L733 G777 N778 L779 A783 S784 S785	T729-F781 HydrophobicContact CG2-CE1 3.77Å; T729-F781 HydrophobicContact CG2-CZ 4.24Å; L733-F781 HydrophobicContact CD1-CB 4.46Å; L733-F781 HydrophobicContact CD1-CD1 3.25Å; L733-F781 HydrophobicContact CD1-CE1 3.59Å; L733-F781 HydrophobicContact CD1-CG 3.98Å; G777-F781 PolarHBondContact O-N 3.42Å; N778-F781 PolarHBondContact O-N 3.29Å; L779-F781 VanDerWaalsContact C-N 3.31Å; L779-F781 PolarHBondContact O-N 3.18Å; F781-A783 VanDerWaalsContact C-N 3.34Å; F781-A783 PolarHBondContact O-N 3.02Å; F781-S784 PolarHBondContact O-N 3.22Å; F781-S784 VanDerWaalsContact O-N 3.12Å; F781-S784 PolarHBondContact O-OG 2.88Å; F781-S785 WeakPolarHBondContact O-CB 3.47Å; F781-S785 PolarHBondContact O-N 2.76Å; F781-S785 PolarHBondContact O-OG 3.08Å; F781-S785 VanDerWaalsContact O-OG 3.07Å
782	L	89.6	Confident	84.3	Confident	33 Å²	33	50.4 Å²	50.4	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-43.7	179.2	-71.2	174.9	0	0	0	112.6	Y730 L733 V737 N778 L779 S784 S785 S786	Y730-L782 HydrophobicContact CD1-CD2 3.78Å; Y730-L782 HydrophobicContact CE1-CD2 4.41Å; L733-L782 HydrophobicContact CB-CD1 4.3Å; L733-L782 HydrophobicContact CB-CD2 3.94Å; L733-L782 HydrophobicContact CB-CG 4.2Å; L733-L782 HydrophobicContact CD1-CD2 4.23Å; V737-L782 HydrophobicContact CG2-CD1 4.15Å; N778-L782 WeakPolarHBondContact O-CG 3.35Å; N778-L782 PolarHBondContact O-N 3.02Å; L779-L782 PolarHBondContact O-N 2.8Å; L782-S784 VanDerWaalsContact C-N 3.28Å; L782-S784 PolarHBondContact O-N 3.07Å; L782-S785 PolarHBondContact O-N 3.19Å; L782-S786 PolarHBondContact O-N 3.48Å; L782-S786 PolarHBondContact O-OG 3.22Å
783	A	87.2	Confident	83.8	Confident	61 Å²	61	49.7 Å²	49.7	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-34.9	178.4	0	0	0	0	0	112.5	L779 F781 S786	L779-A783 WeakPolarHBondContact O-CB 3.28Å; L779-A783 PolarHBondContact O-N 3.07Å; F781-A783 VanDerWaalsContact C-N 3.34Å; F781-A783 PolarHBondContact O-N 3.02Å; A783-S786 PolarHBondContact O-OG 2.98Å
784	S	85.9	Confident	83.3	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-82.9	-22	179.6	67.9	0	0	0	0	114.8	C780 F781 L782 I791 K803	C780-S784 VanDerWaalsContact O-CB 3.28Å; C780-S784 WeakPolarHBondContact O-CB 3.5Å; C780-S784 PolarHBondContact O-N 3.2Å; C780-S784 VanDerWaalsContact O-N 3.08Å; C780-S784 PolarHBondContact O-OG 2.72Å; F781-S784 PolarHBondContact O-N 3.22Å; F781-S784 VanDerWaalsContact O-N 3.12Å; F781-S784 PolarHBondContact O-OG 2.88Å; L782-S784 VanDerWaalsContact C-N 3.28Å; L782-S784 PolarHBondContact O-N 3.07Å; S784-I791 WeakPolarHBondContact O-CD1 3.35Å; S784-K803 WeakPolarHBondContact OG-CE 3.23Å; S784-K803 PolarHBondContact OG-NZ 3.36Å
785	S	79.1	Confident	83	Confident	28 Å²	28	62.3 Å²	62.3	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-93.5	-25.8	-175.1	-63.4	0	0	0	0	112.8	Y730 F781 L782 N787	Y730-S785 WeakPolarHBondContact OH-CB 3.45Å; Y730-S785 PolarHBondContact OH-O 3.15Å; F781-S785 WeakPolarHBondContact O-CB 3.47Å; F781-S785 PolarHBondContact O-N 2.76Å; F781-S785 PolarHBondContact O-OG 3.08Å; F781-S785 VanDerWaalsContact O-OG 3.07Å; L782-S785 PolarHBondContact O-N 3.19Å; S785-N787 VanDerWaalsContact C-N 3.32Å; S785-N787 PolarHBondContact O-N 2.6Å
786	S	68.9	Low	82.7	Confident	69 Å²	69	61.2 Å²	61.2	48%	0.483	34%	0.336	S	S	.	.	S	Bend	trans	-66.4	-25.5	-173	58.5	0	0	0	0	115	L782 A783	L782-S786 PolarHBondContact O-N 3.48Å; L782-S786 PolarHBondContact O-OG 3.22Å; A783-S786 PolarHBondContact O-OG 2.98Å
787	N	64.4	Low	82.5	Confident	100 Å²	100	62.2 Å²	62.2	54%	0.535	34%	0.336	S	S	.	.			trans	-155.4	81.8	172.4	-75.2	-59.8	0	0	0	112.1	S785 E789 S790 I791	S785-N787 VanDerWaalsContact C-N 3.32Å; S785-N787 PolarHBondContact O-N 2.6Å; N787-E789 VanDerWaalsContact C-N 3.26Å; N787-E789 PolarHBondContact O-N 3.49Å; N787-S790 VanDerWaalsContact CB-OG 3.23Å; N787-S790 WeakPolarHBondContact CB-OG 3.39Å; N787-S790 PolarHBondContact O-N 2.8Å; N787-S790 PolarHBondContact O-OG 3.15Å; N787-I791 VanDerWaalsContact O-CD1 3.26Å; N787-I791 WeakPolarHBondContact O-CD1 3.44Å; N787-I791 VanDerWaalsContact O-CG1 3.27Å; N787-I791 WeakPolarHBondContact O-CG1 3.38Å
788	P	61.5	Low	82.4	Confident	62 Å²	62	65.4 Å²	65.4	40%	0.403	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.7	-175.2	22.9	-32.3	0	0	0	114.4
789	E	60.6	Low	82.3	Confident	198 Å²	198	65.9 Å²	65.9	93%	0.925	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-21.2	-177.9	-63	-167.2	160.7	0	0	114.4	N787	N787-E789 VanDerWaalsContact C-N 3.26Å; N787-E789 PolarHBondContact O-N 3.49Å
790	S	66.8	Low	82.2	Confident	95 Å²	95	61.8 Å²	61.8	66%	0.664	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-4.5	-178.7	68	0	0	0	0	114.1	N787	N787-S790 VanDerWaalsContact CB-OG 3.23Å; N787-S790 WeakPolarHBondContact CB-OG 3.39Å; N787-S790 PolarHBondContact O-N 2.8Å; N787-S790 PolarHBondContact O-OG 3.15Å
791	I	79.8	Confident	82.3	Confident	26 Å²	26	63 Å²	63	13%	0.133	34%	0.344	C	S	.	.			trans	-80.2	124	-179.6	-67.9	160.7	0	0	0	109.9	S784 N787 W795 C796 R871	S784-I791 WeakPolarHBondContact O-CD1 3.35Å; N787-I791 VanDerWaalsContact O-CD1 3.26Å; N787-I791 WeakPolarHBondContact O-CD1 3.44Å; N787-I791 VanDerWaalsContact O-CG1 3.27Å; N787-I791 WeakPolarHBondContact O-CG1 3.38Å; I791-W795 HydrophobicContact CG2-CB 3.81Å; I791-C796 HydrophobicContact CG2-CB 3.94Å; I791-R871 PolarHBondContact O-NH2 2.75Å
792	S	83.4	Confident	82.5	Confident	55 Å²	55	63 Å²	63	39%	0.385	35%	0.347	S	S	.	.			trans	-62.7	152.8	173	80.1	0	0	0	0	111.7	L794 W795 C796	S792-L794 PolarHBondContact O-N 2.91Å; S792-W795 PolarHBondContact O-N 2.76Å; S792-W795 VanDerWaalsContact O-N 3.09Å; S792-W795 PolarHBondContact OG-N 2.8Å; S792-C796 PolarHBondContact O-N 3.35Å; S792-C796 VanDerWaalsContact O-N 3.11Å
793	D	84.9	Confident	82.8	Confident	56 Å²	56	61.5 Å²	61.5	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-52.6	-43.6	179.3	-170.3	62.8	0	0	0	113.1	W795 C796 R797 Y869 R871	D793-W795 PolarHBondContact O-N 2.95Å; D793-C796 PolarHBondContact O-N 3.22Å; D793-R797 WeakPolarHBondContact O-CB 3.45Å; D793-R797 PolarHBondContact O-N 3.31Å; D793-Y869 PolarHBondContact OD1-OH 2.95Å; D793-Y869 PolarHBondContact OD2-OH 3.47Å; D793-R871 VanDerWaalsContact CA-NH1 3.26Å; D793-R871 IonicContact OD1-CZ 3.77Å; D793-R871 IonicContact OD1-NH1 3.65Å; D793-R871 PolarHBondContact OD1-NH1 3.39Å
794	L	86.4	Confident	83.1	Confident	96 Å²	96	58.6 Å²	58.6	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-42	179.8	-177.5	63.1	0	0	0	113.1	S792 R797 T798	S792-L794 PolarHBondContact O-N 2.91Å; L794-R797 VanDerWaalsContact CD1-NH2 3.32Å; L794-T798 WeakPolarHBondContact O-CB 3.49Å; L794-T798 PolarHBondContact O-N 3.49Å; L794-T798 PolarHBondContact O-OG1 2.99Å
795	W	87.9	Confident	83.7	Confident	175 Å²	175	60.6 Å²	60.6	66%	0.663	32%	0.323	S	S	*	.	H	α-helix	trans	-70.4	-39.5	178.6	-78.2	119.2	0	0	0	111.8	I791 S792 D793 S799	I791-W795 HydrophobicContact CG2-CB 3.81Å; S792-W795 PolarHBondContact O-N 2.76Å; S792-W795 VanDerWaalsContact O-N 3.09Å; S792-W795 PolarHBondContact OG-N 2.8Å; D793-W795 PolarHBondContact O-N 2.95Å; W795-S799 VanDerWaalsContact O-CB 3.28Å; W795-S799 WeakPolarHBondContact O-CB 3.44Å; W795-S799 PolarHBondContact O-N 3.02Å; W795-S799 PolarHBondContact O-OG 3.16Å
796	C	89.8	Confident	84.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-46.9	176.3	-172	0	0	0	0	111.3	I791 S792 D793 S799 A800 Y869 C874	I791-C796 HydrophobicContact CG2-CB 3.94Å; S792-C796 PolarHBondContact O-N 3.35Å; S792-C796 VanDerWaalsContact O-N 3.11Å; D793-C796 PolarHBondContact O-N 3.22Å; C796-S799 PolarHBondContact O-N 3.24Å; C796-A800 WeakPolarHBondContact O-CB 3.48Å; C796-A800 PolarHBondContact O-N 2.94Å; C796-Y869 HydrophobicContact CB-CE2 4.18Å; C796-C874 VanDerWaalsContact CA-SG 3.55Å; C796-C874 HydrophobicContact CB-CB 4.13Å; C796-C874 WeakPolarHBondContact CB-SG 3.4Å; C796-C874 WeakPolarHBondContact SG-CA 2.99Å; C796-C874 WeakPolarHBondContact SG-CB 3.29Å; C796-C874 CovalentContact SG-SG 2.03Å; C796-C874 PolarHBondContact SG-SG 2.96Å
797	R	91	Very high	85.7	Confident	79 Å²	79	57.3 Å²	57.3	30%	0.298	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-49	176.1	-175.3	172.8	64.2	-166.2	-1.9	112.2	D793 L794 S799 A800 V801 G863 Y869	D793-R797 WeakPolarHBondContact O-CB 3.45Å; D793-R797 PolarHBondContact O-N 3.31Å; L794-R797 VanDerWaalsContact CD1-NH2 3.32Å; R797-S799 VanDerWaalsContact C-N 3.32Å; R797-S799 PolarHBondContact O-N 3.3Å; R797-A800 PolarHBondContact O-N 2.63Å; R797-V801 WeakPolarHBondContact O-CG2 3.32Å; R797-V801 PolarHBondContact O-N 2.93Å; R797-G863 VanDerWaalsContact CD-O 3.23Å; R797-G863 WeakPolarHBondContact CD-O 3.37Å; R797-Y869 HydrophobicContact CB-CD1 4.4Å; R797-Y869 HydrophobicContact CB-CE1 3.73Å; R797-Y869 HydrophobicContact CG-CD1 4.29Å; R797-Y869 HydrophobicContact CG-CE1 3.78Å
798	T	91.7	Very high	87.2	Confident	67 Å²	67	52.5 Å²	52.5	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-43.4	177.9	-57.7	0	0	0	0	111	L794 A800 V801 L802	L794-T798 WeakPolarHBondContact O-CB 3.49Å; L794-T798 PolarHBondContact O-N 3.49Å; L794-T798 PolarHBondContact O-OG1 2.99Å; T798-A800 PolarHBondContact O-N 3.36Å; T798-V801 PolarHBondContact O-N 3.46Å; T798-L802 WeakPolarHBondContact O-CB 3.27Å; T798-L802 PolarHBondContact O-N 2.86Å
799	S	91.9	Very high	88.9	Confident	15 Å²	15	49.6 Å²	49.6	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-41.8	176.8	-60.7	0	0	0	0	111.9	W795 C796 R797 L802 K803	W795-S799 VanDerWaalsContact O-CB 3.28Å; W795-S799 WeakPolarHBondContact O-CB 3.44Å; W795-S799 PolarHBondContact O-N 3.02Å; W795-S799 PolarHBondContact O-OG 3.16Å; C796-S799 PolarHBondContact O-N 3.24Å; R797-S799 VanDerWaalsContact C-N 3.32Å; R797-S799 PolarHBondContact O-N 3.3Å; S799-L802 PolarHBondContact O-N 3.28Å; S799-K803 WeakPolarHBondContact O-CB 3.13Å; S799-K803 WeakPolarHBondContact O-CG 3.21Å; S799-K803 PolarHBondContact O-N 2.95Å
800	A	92.6	Very high	90.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-44.6	177.1	0	0	0	0	0	112	C796 R797 T798 H804 Y869	C796-A800 WeakPolarHBondContact O-CB 3.48Å; C796-A800 PolarHBondContact O-N 2.94Å; R797-A800 PolarHBondContact O-N 2.63Å; T798-A800 PolarHBondContact O-N 3.36Å; A800-H804 VanDerWaalsContact O-CB 3.28Å; A800-H804 WeakPolarHBondContact O-CB 3.38Å; A800-H804 PolarHBondContact O-N 3.49Å; A800-Y869 HydrophobicContact CB-CG 4.22Å
801	V	94.8	Very high	91.7	Very high	40 Å²	40	35.7 Å²	35.7	24%	0.242	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-46.4	176.6	174.7	0	0	0	0	111.3	R797 T798 H804 F805 V853 F857 Y868	R797-V801 WeakPolarHBondContact O-CG2 3.32Å; R797-V801 PolarHBondContact O-N 2.93Å; T798-V801 PolarHBondContact O-N 3.46Å; V801-H804 PolarHBondContact O-N 3.48Å; V801-F805 PolarHBondContact O-N 2.78Å; V801-V853 HydrophobicContact CG1-CG1 4.12Å; V801-F857 HydrophobicContact CG2-CD2 4.01Å; V801-F857 HydrophobicContact CG2-CE2 4.19Å; V801-Y868 HydrophobicContact CG2-CE1 3.63Å
802	L	95.1	Very high	92.5	Very high	65 Å²	65	35.5 Å²	35.5	34%	0.34	18%	0.175	S	C	.	.	H	α-helix	trans	-66.9	-43.9	-177.2	-173.7	52.7	0	0	0	111.8	I776 C780 T798 S799 H804 F805 C806	I776-L802 HydrophobicContact CG2-CD1 3.86Å; I776-L802 HydrophobicContact CG2-CD2 3.7Å; I776-L802 HydrophobicContact CG2-CG 3.72Å; C780-L802 WeakPolarHBondContact SG-CD2 3.42Å; T798-L802 WeakPolarHBondContact O-CB 3.27Å; T798-L802 PolarHBondContact O-N 2.86Å; S799-L802 PolarHBondContact O-N 3.28Å; L802-H804 VanDerWaalsContact C-N 3.34Å; L802-H804 PolarHBondContact O-N 3.27Å; L802-F805 PolarHBondContact O-N 2.81Å; L802-C806 VanDerWaalsContact CD1-SG 3.58Å; L802-C806 WeakPolarHBondContact O-CB 3.33Å; L802-C806 PolarHBondContact O-N 3.39Å; L802-C806 PolarHBondContact O-SG 3.09Å; L802-C806 VanDerWaalsContact O-SG 3.35Å
803	K	94.5	Very high	93	Very high	1 Å²	1	33 Å²	33	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-43	171.8	-69.4	171.5	-159.4	178.3	0	111.7	C780 S784 S799 F805 C806 Y807 C874 W875	C780-K803 HydrophobicContact CB-CD 4.4Å; C780-K803 HydrophobicContact CB-CG 3.58Å; C780-K803 WeakPolarHBondContact O-CE 3.45Å; S784-K803 WeakPolarHBondContact OG-CE 3.23Å; S784-K803 PolarHBondContact OG-NZ 3.36Å; S799-K803 WeakPolarHBondContact O-CB 3.13Å; S799-K803 WeakPolarHBondContact O-CG 3.21Å; S799-K803 PolarHBondContact O-N 2.95Å; K803-F805 PolarHBondContact O-N 3.27Å; K803-C806 PolarHBondContact O-N 3.08Å; K803-Y807 HydrophobicContact CB-CD2 4.18Å; K803-Y807 HydrophobicContact CB-CE2 4.1Å; K803-Y807 HydrophobicContact CG-CE2 4.33Å; K803-Y807 WeakPolarHBondContact O-CB 3.44Å; K803-Y807 WeakPolarHBondContact O-CD2 3.23Å; K803-Y807 PolarHBondContact O-N 3.38Å; K803-C874 PolarHBondContact NZ-O 2.95Å; K803-W875 HydrophobicContact CB-CE3 3.83Å; K803-W875 HydrophobicContact CB-CH2 4.1Å; K803-W875 HydrophobicContact CB-CZ3 3.21Å; K803-W875 HydrophobicContact CD-CE3 3.79Å; K803-W875 HydrophobicContact CD-CZ3 4.05Å; K803-W875 HydrophobicContact CG-CZ3 4.31Å
804	H	95.3	Very high	93.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-49	-179.4	-177.7	-167	0	0	0	110.3	A800 V801 L802 L808 V853 Y868 W875 L876 T888	A800-H804 VanDerWaalsContact O-CB 3.28Å; A800-H804 WeakPolarHBondContact O-CB 3.38Å; A800-H804 PolarHBondContact O-N 3.49Å; V801-H804 PolarHBondContact O-N 3.48Å; L802-H804 VanDerWaalsContact C-N 3.34Å; L802-H804 PolarHBondContact O-N 3.27Å; H804-L808 WeakPolarHBondContact O-CB 2.81Å; H804-L808 PolarHBondContact O-N 2.88Å; H804-V853 HydrophobicContact CB-CG2 4.44Å; H804-Y868 AromaticContact ND1-CZ 3.88Å; H804-Y868 PolarHBondContact ND1-OH 3.28Å; H804-W875 HydrophobicContact CB-CZ3 4.34Å; H804-L876 HydrophobicContact CB-CD1 4.46Å; H804-L876 HydrophobicContact CB-CD2 4.36Å; H804-T888 PolarHBondContact CE1-OG1 2.83Å; H804-T888 PolarHBondContact NE2-OG1 3.44Å
805	F	96.8	Very high	93.5	Very high	45 Å²	45	28.2 Å²	28.2	20%	0.197	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-51.1	176.4	172.6	-109	0	0	0	112.8	V801 L802 K803 L808 A809 Y846 P849 L850 V853	V801-F805 PolarHBondContact O-N 2.78Å; L802-F805 PolarHBondContact O-N 2.81Å; K803-F805 PolarHBondContact O-N 3.27Å; F805-L808 PolarHBondContact O-N 3.27Å; F805-A809 HydrophobicContact CE2-CB 4.46Å; F805-A809 VanDerWaalsContact O-CB 3.23Å; F805-A809 WeakPolarHBondContact O-CB 3.37Å; F805-A809 PolarHBondContact O-N 2.98Å; F805-Y846 HydrophobicContact CE1-CD1 4.46Å; F805-Y846 HydrophobicContact CE2-CD1 4.43Å; F805-Y846 AromaticContact CZ-CD1 3.72Å; F805-Y846 HydrophobicContact CZ-CD1 3.72Å; F805-Y846 HydrophobicContact CZ-CE1 4.3Å; F805-P849 HydrophobicContact CD2-CB 4.2Å; F805-P849 HydrophobicContact CE2-CB 4.17Å; F805-L850 HydrophobicContact CD2-CB 4.4Å; F805-L850 HydrophobicContact CD2-CD1 4.26Å; F805-L850 HydrophobicContact CE2-CB 3.9Å; F805-L850 HydrophobicContact CE2-CD1 4.11Å; F805-V853 HydrophobicContact CB-CG2 4.13Å
806	C	96.8	Very high	93.6	Very high	3 Å²	3	20 Å²	20	2%	0.02	10%	0.099	C	C	.	.	H	α-helix	trans	-65.5	-45.1	-174.1	-76.3	0	0	0	0	112.6	C773 I776 L802 K803 A809 M810	C773-C806 WeakPolarHBondContact CB-O 3.39Å; C773-C806 WeakPolarHBondContact O-CB 3.35Å; I776-C806 VanDerWaalsContact CG2-SG 3.55Å; L802-C806 VanDerWaalsContact CD1-SG 3.58Å; L802-C806 WeakPolarHBondContact O-CB 3.33Å; L802-C806 PolarHBondContact O-N 3.39Å; L802-C806 PolarHBondContact O-SG 3.09Å; L802-C806 VanDerWaalsContact O-SG 3.35Å; K803-C806 PolarHBondContact O-N 3.08Å; C806-A809 PolarHBondContact O-N 3.49Å; C806-M810 WeakPolarHBondContact O-CB 3.05Å; C806-M810 PolarHBondContact O-N 3.32Å
807	Y	94.8	Very high	93.5	Very high	25 Å²	25	20.2 Å²	20.2	10%	0.098	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-39.5	176.6	-67	-37.7	0	0	0	111.6	L774 G777 N778 K803 M810 F811 W875	L774-Y807 HydrophobicContact CD1-CD1 4.29Å; L774-Y807 HydrophobicContact CD1-CE1 4.03Å; G777-Y807 VanDerWaalsContact C-OH 3.32Å; G777-Y807 PolarHBondContact O-OH 3.38Å; N778-Y807 WeakPolarHBondContact OD1-CE1 3.29Å; N778-Y807 PolarHBondContact OD1-OH 3.04Å; K803-Y807 HydrophobicContact CB-CD2 4.18Å; K803-Y807 HydrophobicContact CB-CE2 4.1Å; K803-Y807 HydrophobicContact CG-CE2 4.33Å; K803-Y807 WeakPolarHBondContact O-CB 3.44Å; K803-Y807 WeakPolarHBondContact O-CD2 3.23Å; K803-Y807 PolarHBondContact O-N 3.38Å; Y807-M810 WeakPolarHBondContact O-CB 3.24Å; Y807-M810 PolarHBondContact O-N 2.85Å; Y807-F811 VanDerWaalsContact O-CD2 3.23Å; Y807-F811 WeakPolarHBondContact O-CD2 3.19Å; Y807-F811 PolarHBondContact O-N 3.44Å; Y807-W875 AromaticContact CD2-CH2 3.81Å; Y807-W875 HydrophobicContact CD2-CH2 3.81Å; Y807-W875 HydrophobicContact CD2-CZ2 4.44Å; Y807-W875 HydrophobicContact CD2-CZ3 4.36Å; Y807-W875 HydrophobicContact CE2-CH2 4.47Å
808	L	95.2	Very high	93.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-48.2	176.2	-170.4	60.9	0	0	0	111.3	H804 F805 M810 F811 F812 P849 I852 V853 F889 P892 V893	H804-L808 WeakPolarHBondContact O-CB 2.81Å; H804-L808 PolarHBondContact O-N 2.88Å; F805-L808 PolarHBondContact O-N 3.27Å; L808-M810 VanDerWaalsContact C-N 3.31Å; L808-M810 PolarHBondContact O-N 3.48Å; L808-F811 WeakPolarHBondContact O-CB 3.3Å; L808-F811 PolarHBondContact O-N 3.41Å; L808-F811 VanDerWaalsContact O-N 3.09Å; L808-F812 HydrophobicContact CD1-CD2 4.12Å; L808-F812 HydrophobicContact CD1-CE2 3.74Å; L808-F812 HydrophobicContact CD2-CE2 4.46Å; L808-F812 HydrophobicContact CG-CD2 4.02Å; L808-F812 HydrophobicContact CG-CE2 3.85Å; L808-F812 WeakPolarHBondContact O-CD2 3.49Å; L808-F812 PolarHBondContact O-N 3.31Å; L808-P849 HydrophobicContact CB-CB 4.37Å; L808-P849 HydrophobicContact CD2-CB 4.1Å; L808-P849 HydrophobicContact CG-CB 4.04Å; L808-I852 HydrophobicContact CD2-CB 4.03Å; L808-I852 HydrophobicContact CD2-CD1 4.12Å; L808-I852 HydrophobicContact CD2-CG2 3.91Å; L808-V853 HydrophobicContact CD2-CG2 4.35Å; L808-F889 HydrophobicContact CB-CD2 4.28Å; L808-F889 HydrophobicContact CB-CE2 4.48Å; L808-F889 HydrophobicContact CD1-CD2 4.33Å; L808-P892 HydrophobicContact CD1-CB 3.95Å; L808-V893 HydrophobicContact CD1-CG2 4.26Å
809	A	96.2	Very high	93	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-40.7	176.7	0	0	0	0	0	112.1	F805 C806 F811 F812 W813 Y846 P849	F805-A809 HydrophobicContact CE2-CB 4.46Å; F805-A809 VanDerWaalsContact O-CB 3.23Å; F805-A809 WeakPolarHBondContact O-CB 3.37Å; F805-A809 PolarHBondContact O-N 2.98Å; C806-A809 PolarHBondContact O-N 3.49Å; A809-F811 VanDerWaalsContact C-N 3.3Å; A809-F811 PolarHBondContact O-N 2.9Å; A809-F812 PolarHBondContact O-N 3.34Å; A809-W813 PolarHBondContact O-N 2.58Å; A809-Y846 HydrophobicContact CB-CD1 4.03Å; A809-Y846 HydrophobicContact CB-CE1 4.09Å; A809-P849 HydrophobicContact CB-CB 4.2Å; A809-P849 HydrophobicContact CB-CG 4.16Å
810	M	93.9	Very high	92.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-53.3	-47.7	173.1	177.3	-81.3	-68.7	0	0	111.1	I770 C773 L774 C806 Y807 L808 W813 T814	I770-M810 HydrophobicContact CG2-CG 4.06Å; C773-M810 HydrophobicContact CB-CB 3.97Å; L774-M810 HydrophobicContact CB-CG 4.35Å; L774-M810 HydrophobicContact CD1-CE 4.44Å; C806-M810 WeakPolarHBondContact O-CB 3.05Å; C806-M810 PolarHBondContact O-N 3.32Å; Y807-M810 WeakPolarHBondContact O-CB 3.24Å; Y807-M810 PolarHBondContact O-N 2.85Å; L808-M810 VanDerWaalsContact C-N 3.31Å; L808-M810 PolarHBondContact O-N 3.48Å; M810-W813 PolarHBondContact O-N 3.49Å; M810-T814 PolarHBondContact O-N 2.9Å; M810-T814 PolarHBondContact O-OG1 3.45Å
811	F	94	Very high	91.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-42	176.6	-83.2	-73.4	0	0	0	113.9	Y807 L808 A809 W813 T814 F815 F889 V893 I896 V897 W951	Y807-F811 VanDerWaalsContact O-CD2 3.23Å; Y807-F811 WeakPolarHBondContact O-CD2 3.19Å; Y807-F811 PolarHBondContact O-N 3.44Å; L808-F811 WeakPolarHBondContact O-CB 3.3Å; L808-F811 PolarHBondContact O-N 3.41Å; L808-F811 VanDerWaalsContact O-N 3.09Å; A809-F811 VanDerWaalsContact C-N 3.3Å; A809-F811 PolarHBondContact O-N 2.9Å; F811-W813 VanDerWaalsContact C-N 3.3Å; F811-W813 PolarHBondContact O-N 3.12Å; F811-T814 CarbonylContact O-C 3.52Å; F811-T814 WeakPolarHBondContact O-CB 3.39Å; F811-T814 PolarHBondContact O-N 3.03Å; F811-F815 PolarHBondContact O-N 3.39Å; F811-F889 HydrophobicContact CE2-CZ 4.13Å; F811-V893 HydrophobicContact CB-CG2 4.42Å; F811-V893 HydrophobicContact CD1-CG1 4.17Å; F811-V893 HydrophobicContact CD2-CB 4.37Å; F811-V893 HydrophobicContact CD2-CG1 4.06Å; F811-V893 HydrophobicContact CD2-CG2 3.46Å; F811-V893 VanDerWaalsContact CD2-CG2 3.46Å; F811-V893 HydrophobicContact CE1-CG1 3.74Å; F811-V893 HydrophobicContact CE2-CB 4.34Å; F811-V893 HydrophobicContact CE2-CG1 3.63Å; F811-V893 HydrophobicContact CE2-CG2 3.69Å; F811-V893 HydrophobicContact CG-CG1 4.29Å; F811-V893 HydrophobicContact CG-CG2 3.94Å; F811-V893 HydrophobicContact CZ-CG1 3.42Å; F811-V893 VanDerWaalsContact CZ-CG1 3.42Å; F811-V893 HydrophobicContact CZ-CG2 4.33Å; F811-I896 HydrophobicContact CB-CD1 4.05Å; F811-I896 HydrophobicContact CB-CG2 4.36Å; F811-I896 HydrophobicContact CD1-CG2 4.34Å; F811-V897 HydrophobicContact CD1-CG2 4.41Å; F811-V897 HydrophobicContact CE1-CG2 3.84Å; F811-W951 HydrophobicContact CE1-CG 4.29Å; F811-W951 HydrophobicContact CE2-CD2 4.24Å; F811-W951 AromaticContact CE2-CE2 3.79Å; F811-W951 HydrophobicContact CE2-CH2 4.49Å; F811-W951 AromaticContact CE2-CZ2 3.92Å; F811-W951 HydrophobicContact CE2-CZ2 3.92Å; F811-W951 AromaticContact CZ-CD1 3.46Å; F811-W951 VanDerWaalsContact CZ-CD1 3.46Å; F811-W951 AromaticContact CZ-CD2 3.62Å; F811-W951 HydrophobicContact CZ-CD2 3.62Å; F811-W951 AromaticContact CZ-CE2 3.4Å; F811-W951 VanDerWaalsContact CZ-CE2 3.4Å; F811-W951 HydrophobicContact CZ-CE3 4.43Å; F811-W951 AromaticContact CZ-CG 3.65Å; F811-W951 HydrophobicContact CZ-CG 3.65Å; F811-W951 HydrophobicContact CZ-CZ2 4.02Å; F811-W951 AromaticContact CZ-NE1 3.31Å; F811-W951 VanDerWaalsContact CZ-NE1 3.31Å
812	F	95.1	Very high	91.3	Very high	22 Å²	22	17.2 Å²	17.2	10%	0.096	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-32.2	177.3	-85.2	-91.5	0	0	0	112.5	L808 A809 F815 C816 V844 I848 P849 I852 P892 I896	L808-F812 HydrophobicContact CD1-CD2 4.12Å; L808-F812 HydrophobicContact CD1-CE2 3.74Å; L808-F812 HydrophobicContact CD2-CE2 4.46Å; L808-F812 HydrophobicContact CG-CD2 4.02Å; L808-F812 HydrophobicContact CG-CE2 3.85Å; L808-F812 WeakPolarHBondContact O-CD2 3.49Å; L808-F812 PolarHBondContact O-N 3.31Å; A809-F812 PolarHBondContact O-N 3.34Å; F812-F815 WeakPolarHBondContact O-CB 3.38Å; F812-F815 PolarHBondContact O-N 3.29Å; F812-C816 PolarHBondContact O-N 2.91Å; F812-C816 PolarHBondContact O-SG 3.06Å; F812-V844 WeakPolarHBondContact CB-O 3.28Å; F812-V844 HydrophobicContact CD1-CG1 3.96Å; F812-V844 VanDerWaalsContact CD1-O 3.26Å; F812-V844 WeakPolarHBondContact CD1-O 3.24Å; F812-I848 HydrophobicContact CD1-CG2 4.45Å; F812-I848 HydrophobicContact CE1-CB 4.16Å; F812-I848 HydrophobicContact CE1-CG2 3.6Å; F812-I848 HydrophobicContact CZ-CG2 3.64Å; F812-P849 HydrophobicContact CB-CG 3.95Å; F812-P849 HydrophobicContact CD2-CB 4.45Å; F812-P849 HydrophobicContact CD2-CG 3.56Å; F812-P849 HydrophobicContact CE2-CG 4.14Å; F812-P849 HydrophobicContact CG-CG 3.79Å; F812-I852 HydrophobicContact CE2-CD1 4.21Å; F812-I852 HydrophobicContact CZ-CD1 4.07Å; F812-P892 HydrophobicContact CE2-CB 4.35Å; F812-I896 HydrophobicContact CD1-CD1 4.14Å; F812-I896 HydrophobicContact CD2-CD1 3.71Å; F812-I896 HydrophobicContact CE1-CD1 4.23Å; F812-I896 HydrophobicContact CE2-CD1 3.83Å; F812-I896 HydrophobicContact CG-CD1 3.9Å; F812-I896 HydrophobicContact CZ-CD1 4.09Å
813	W	94.1	Very high	90.6	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.011	9%	0.087	C	C	.	.	H	α-helix	trans	-70.5	-37.9	170.4	-81.4	107.3	0	0	0	112.7	A766 N769 I770 A809 M810 F811 F815 C816 L817 L842 G845 Y846	A766-W813 HydrophobicContact CB-CE3 4.11Å; N769-W813 HydrophobicContact CB-CD2 3.69Å; N769-W813 HydrophobicContact CB-CE3 4.23Å; N769-W813 HydrophobicContact CB-CG 3.92Å; N769-W813 HydrophobicContact CB-CZ2 4.06Å; I770-W813 HydrophobicContact CD1-CB 4.38Å; I770-W813 HydrophobicContact CG1-CB 3.61Å; A809-W813 PolarHBondContact O-N 2.58Å; M810-W813 PolarHBondContact O-N 3.49Å; F811-W813 VanDerWaalsContact C-N 3.3Å; F811-W813 PolarHBondContact O-N 3.12Å; W813-F815 VanDerWaalsContact C-N 3.3Å; W813-F815 PolarHBondContact O-N 3.08Å; W813-C816 HydrophobicContact CE3-CB 4.45Å; W813-C816 WeakPolarHBondContact O-CB 3.34Å; W813-C816 PolarHBondContact O-N 3.26Å; W813-L817 PolarHBondContact O-N 3.06Å; W813-L842 HydrophobicContact CH2-CD2 3.97Å; W813-L842 HydrophobicContact CH2-CG 4.36Å; W813-L842 HydrophobicContact CZ2-CD2 3.9Å; W813-G845 PolarHBondContact NE1-O 2.87Å; W813-Y846 AromaticContact CE2-CD2 3.88Å; W813-Y846 AromaticContact CE2-CE2 3.59Å; W813-Y846 AromaticContact CZ2-CD2 3.63Å; W813-Y846 HydrophobicContact CZ2-CD2 3.63Å; W813-Y846 AromaticContact CZ2-CE2 3.47Å; W813-Y846 HydrophobicContact CZ2-CE2 3.47Å; W813-Y846 VanDerWaalsContact CZ2-CE2 3.47Å; W813-Y846 AromaticContact NE1-CD1 3.94Å; W813-Y846 AromaticContact NE1-CD2 3.51Å; W813-Y846 AromaticContact NE1-CE1 3.67Å; W813-Y846 AromaticContact NE1-CE2 3.18Å; W813-Y846 AromaticContact NE1-CG 3.87Å; W813-Y846 AromaticContact NE1-CZ 3.27Å; W813-Y846 VanDerWaalsContact NE1-CZ 3.27Å
814	T	91.1	Very high	89.7	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-38.1	171.3	-57.8	0	0	0	0	111.5	M810 F811 L817 S818 I946 F947	M810-T814 PolarHBondContact O-N 2.9Å; M810-T814 PolarHBondContact O-OG1 3.45Å; F811-T814 CarbonylContact O-C 3.52Å; F811-T814 WeakPolarHBondContact O-CB 3.39Å; F811-T814 PolarHBondContact O-N 3.03Å; T814-L817 PolarHBondContact O-N 3.08Å; T814-S818 VanDerWaalsContact O-CB 3.31Å; T814-S818 WeakPolarHBondContact O-CB 3.2Å; T814-S818 PolarHBondContact O-N 3.25Å; T814-I946 VanDerWaalsContact CG2-O 3.3Å; T814-I946 WeakPolarHBondContact CG2-O 3.32Å; T814-F947 HydrophobicContact CG2-CD1 4.25Å
815	F	91.7	Very high	88.7	Confident	51 Å²	51	20.6 Å²	20.6	22%	0.224	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-46.4	171.1	173.2	-110.1	0	0	0	111.8	F811 F812 W813 L817 S818 A819 V844 I896 I899	F811-F815 PolarHBondContact O-N 3.39Å; F812-F815 WeakPolarHBondContact O-CB 3.38Å; F812-F815 PolarHBondContact O-N 3.29Å; W813-F815 VanDerWaalsContact C-N 3.3Å; W813-F815 PolarHBondContact O-N 3.08Å; F815-L817 VanDerWaalsContact C-N 3.32Å; F815-L817 PolarHBondContact O-N 3.08Å; F815-S818 PolarHBondContact O-N 3.4Å; F815-A819 VanDerWaalsContact O-CB 3.32Å; F815-A819 WeakPolarHBondContact O-CB 3.42Å; F815-A819 PolarHBondContact O-N 2.74Å; F815-V844 HydrophobicContact CD1-CG1 3.95Å; F815-V844 HydrophobicContact CE1-CG1 4.21Å; F815-I896 HydrophobicContact CB-CG1 4.33Å; F815-I896 HydrophobicContact CB-CG2 3.86Å; F815-I899 HydrophobicContact CD2-CG2 4.24Å; F815-I899 HydrophobicContact CE2-CB 4.3Å; F815-I899 HydrophobicContact CE2-CD1 4.07Å; F815-I899 HydrophobicContact CE2-CG2 3.72Å
816	C	90.2	Very high	87.9	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.02	12%	0.117	C	C	.	.	H	α-helix	trans	-59.3	-42.7	175.4	-67.6	0	0	0	0	112	F812 W813 T820 Y837	F812-C816 PolarHBondContact O-N 2.91Å; F812-C816 PolarHBondContact O-SG 3.06Å; W813-C816 HydrophobicContact CE3-CB 4.45Å; W813-C816 WeakPolarHBondContact O-CB 3.34Å; W813-C816 PolarHBondContact O-N 3.26Å; C816-T820 WeakPolarHBondContact O-CB 3.34Å; C816-T820 PolarHBondContact O-N 3.32Å; C816-T820 PolarHBondContact O-OG1 3.47Å; C816-Y837 PolarHBondContact O-OH 3.29Å; C816-Y837 VanDerWaalsContact O-OH 3.08Å
817	L	86.6	Confident	87	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-48.4	176.1	176.5	61.4	0	0	0	111.4	R763 A766 I770 W813 T814 F815 T820 L821 F947	R763-L817 HydrophobicContact CG-CD1 3.97Å; A766-L817 HydrophobicContact CB-CB 4.12Å; A766-L817 HydrophobicContact CB-CD1 4.43Å; I770-L817 HydrophobicContact CD1-CD2 4Å; W813-L817 PolarHBondContact O-N 3.06Å; T814-L817 PolarHBondContact O-N 3.08Å; F815-L817 VanDerWaalsContact C-N 3.32Å; F815-L817 PolarHBondContact O-N 3.08Å; L817-T820 WeakPolarHBondContact O-CB 3.36Å; L817-T820 PolarHBondContact O-N 3.45Å; L817-L821 HydrophobicContact CD1-CD1 4.48Å; L817-L821 HydrophobicContact CG-CD1 4.5Å; L817-L821 WeakPolarHBondContact O-CG 3.22Å; L817-L821 PolarHBondContact O-N 3.46Å; L817-L821 VanDerWaalsContact O-N 3.12Å; L817-F947 HydrophobicContact CD2-CE1 4.43Å; L817-F947 HydrophobicContact CG-CE1 4.34Å
818	S	86.5	Confident	85.6	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-48.2	177.7	177.1	0	0	0	0	112.3	T814 F815 T820 L821 L822 N900 S903	T814-S818 VanDerWaalsContact O-CB 3.31Å; T814-S818 WeakPolarHBondContact O-CB 3.2Å; T814-S818 PolarHBondContact O-N 3.25Å; F815-S818 PolarHBondContact O-N 3.4Å; S818-T820 VanDerWaalsContact C-N 3.25Å; S818-T820 PolarHBondContact O-N 2.98Å; S818-L821 PolarHBondContact O-N 2.93Å; S818-L822 PolarHBondContact O-N 2.83Å; S818-N900 WeakPolarHBondContact CB-OD1 3.42Å; S818-N900 PolarHBondContact OG-OD1 3.28Å; S818-N900 VanDerWaalsContact OG-OD1 3.07Å; S818-S903 PolarHBondContact O-OG 3.41Å; S818-S903 WeakPolarHBondContact OG-CB 3.4Å; S818-S903 PolarHBondContact OG-OG 3.4Å
819	A	85.8	Confident	84	Confident	39 Å²	39	41.5 Å²	41.5	32%	0.322	21%	0.21	S	C	.	.	H	α-helix	trans	-60.6	-35.4	177.6	0	0	0	0	0	112.2	F815 H823	F815-A819 VanDerWaalsContact O-CB 3.32Å; F815-A819 WeakPolarHBondContact O-CB 3.42Å; F815-A819 PolarHBondContact O-N 2.74Å; A819-H823 WeakPolarHBondContact O-CB 3.24Å; A819-H823 PolarHBondContact O-N 3.15Å
820	T	80.4	Confident	82.6	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-45.5	174.8	-67.5	0	0	0	0	112.7	C816 L817 S818 L822 H823 Q824 Y837	C816-T820 WeakPolarHBondContact O-CB 3.34Å; C816-T820 PolarHBondContact O-N 3.32Å; C816-T820 PolarHBondContact O-OG1 3.47Å; L817-T820 WeakPolarHBondContact O-CB 3.36Å; L817-T820 PolarHBondContact O-N 3.45Å; S818-T820 VanDerWaalsContact C-N 3.25Å; S818-T820 PolarHBondContact O-N 2.98Å; T820-L822 VanDerWaalsContact C-N 3.33Å; T820-H823 PolarHBondContact O-N 2.96Å; T820-Q824 WeakPolarHBondContact O-CB 3.33Å; T820-Q824 VanDerWaalsContact O-CG 3.24Å; T820-Q824 WeakPolarHBondContact O-CG 3.38Å; T820-Q824 PolarHBondContact O-N 3.17Å; T820-Y837 WeakPolarHBondContact OG1-CE2 3.26Å; T820-Y837 PolarHBondContact OG1-OH 2.88Å
821	L	79.5	Confident	81.1	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-39.9	178.5	-67.5	172.6	0	0	0	111	L817 S818 Q824 A825 F947	L817-L821 HydrophobicContact CD1-CD1 4.48Å; L817-L821 HydrophobicContact CG-CD1 4.5Å; L817-L821 WeakPolarHBondContact O-CG 3.22Å; L817-L821 PolarHBondContact O-N 3.46Å; L817-L821 VanDerWaalsContact O-N 3.12Å; S818-L821 PolarHBondContact O-N 2.93Å; L821-Q824 PolarHBondContact O-N 2.91Å; L821-A825 WeakPolarHBondContact O-CB 3.49Å; L821-A825 PolarHBondContact O-N 3.32Å; L821-F947 HydrophobicContact CD1-CE1 3.97Å; L821-F947 HydrophobicContact CD1-CZ 3.51Å
822	L	83.2	Confident	79.8	Confident	41 Å²	41	59.4 Å²	59.4	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-49.8	174.2	-175.8	60.6	0	0	0	112.3	S818 T820 Q824 A825 V826 S903 V906 V907	S818-L822 PolarHBondContact O-N 2.83Å; T820-L822 VanDerWaalsContact C-N 3.33Å; L822-Q824 PolarHBondContact O-N 3.44Å; L822-A825 PolarHBondContact O-N 3.2Å; L822-V826 HydrophobicContact CD1-CG2 4.04Å; L822-V826 WeakPolarHBondContact O-CG2 3.23Å; L822-V826 PolarHBondContact O-N 3.37Å; L822-S903 WeakPolarHBondContact CB-OG 3.48Å; L822-V906 HydrophobicContact CD1-CB 3.72Å; L822-V906 HydrophobicContact CD1-CG1 3.55Å; L822-V907 HydrophobicContact CB-CG2 4.43Å; L822-V907 HydrophobicContact CD1-CG2 4.27Å
823	H	81.8	Confident	79	Confident	59 Å²	59	61.1 Å²	61.1	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-57.8	-40.3	177.8	176.4	-77.1	0	0	0	111	A819 T820 F827 H830	A819-H823 WeakPolarHBondContact O-CB 3.24Å; A819-H823 PolarHBondContact O-N 3.15Å; T820-H823 PolarHBondContact O-N 2.96Å; H823-F827 WeakPolarHBondContact O-CA 3.33Å; H823-F827 WeakPolarHBondContact O-CB 3.47Å; H823-F827 PolarHBondContact O-N 3.07Å; H823-H830 AromaticContact CE1-ND1 3.46Å; H823-H830 PolarHBondContact CE1-ND1 2.94Å; H823-H830 AromaticContact NE2-ND1 3.1Å; H823-H830 PolarHBondContact NE2-ND1 3.43Å; H823-H830 VanDerWaalsContact NE2-ND1 3.1Å
824	Q	75.1	Confident	78.1	Confident	55 Å²	55	66.9 Å²	66.9	26%	0.257	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-39.7	177.3	-73.4	168.2	13.4	0	0	113	T759 T820 L821 L822 V826 L828	T759-Q824 PolarHBondContact OG1-NE2 2.8Å; T820-Q824 WeakPolarHBondContact O-CB 3.33Å; T820-Q824 VanDerWaalsContact O-CG 3.24Å; T820-Q824 WeakPolarHBondContact O-CG 3.38Å; T820-Q824 PolarHBondContact O-N 3.17Å; L821-Q824 PolarHBondContact O-N 2.91Å; L822-Q824 PolarHBondContact O-N 3.44Å; Q824-V826 VanDerWaalsContact C-N 3.35Å; Q824-L828 VanDerWaalsContact O-CD2 3.23Å; Q824-L828 WeakPolarHBondContact O-CD2 3.4Å
825	A	74.8	Confident	77.5	Confident	23 Å²	23	69.4 Å²	69.4	19%	0.19	35%	0.352	C	S	.	.	H	α-helix	trans	-69.2	-32.1	178.5	0	0	0	0	0	112.9	L821 L822 V907 K910	L821-A825 WeakPolarHBondContact O-CB 3.49Å; L821-A825 PolarHBondContact O-N 3.32Å; L822-A825 PolarHBondContact O-N 3.2Å; A825-V907 HydrophobicContact CB-CB 4.45Å; A825-V907 HydrophobicContact CB-CG1 4.45Å; A825-V907 HydrophobicContact CB-CG2 3.92Å; A825-K910 HydrophobicContact CB-CB 4.48Å
826	V	79.6	Confident	77.1	Confident	65 Å²	65	71.6 Å²	71.6	39%	0.394	37%	0.366	S	S	.	.	H	α-helix	trans	-91.4	-42.9	-177.9	178.5	0	0	0	0	112.3	L822 Q824 V906	L822-V826 HydrophobicContact CD1-CG2 4.04Å; L822-V826 WeakPolarHBondContact O-CG2 3.23Å; L822-V826 PolarHBondContact O-N 3.37Å; Q824-V826 VanDerWaalsContact C-N 3.35Å; V826-V906 HydrophobicContact CG2-CG1 4.2Å
827	F	77.1	Confident	76.6	Confident	122 Å²	122	73 Å²	73	54%	0.535	37%	0.371	S	S	.	.			trans	-116.3	66.6	-173.7	-60	-73.3	0	0	0	112.1	H823 F829 H830	H823-F827 WeakPolarHBondContact O-CA 3.33Å; H823-F827 WeakPolarHBondContact O-CB 3.47Å; H823-F827 PolarHBondContact O-N 3.07Å; F827-F829 PolarHBondContact O-N 3.09Å; F827-F829 VanDerWaalsContact O-N 3.07Å; F827-H830 HydrophobicContact CB-CB 3.88Å; F827-H830 PolarHBondContact O-N 2.99Å; F827-H830 VanDerWaalsContact O-N 3.13Å
828	L	66.3	Low	76.4	Confident	123 Å²	123	74.8 Å²	74.8	64%	0.644	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.2	-176.4	-70.5	165.9	0	0	0	114.6	Q824	Q824-L828 VanDerWaalsContact O-CD2 3.23Å; Q824-L828 WeakPolarHBondContact O-CD2 3.4Å
829	F	62.3	Low	76.4	Confident	202 Å²	202	83.2 Å²	83.2	89%	0.886	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-5.6	-177.2	-59.2	-69.5	0	0	0	114.4	F827	F827-F829 PolarHBondContact O-N 3.09Å; F827-F829 VanDerWaalsContact O-N 3.07Å
830	H	66.6	Low	76.5	Confident	118 Å²	118	87.4 Å²	87.4	55%	0.546	42%	0.423	S	S	.	.			trans	-91.7	110.7	-177.8	-170.2	-110.5	0	0	0	111.1	H823 F827	H823-H830 AromaticContact CE1-ND1 3.46Å; H823-H830 PolarHBondContact CE1-ND1 2.94Å; H823-H830 AromaticContact NE2-ND1 3.1Å; H823-H830 PolarHBondContact NE2-ND1 3.43Å; H823-H830 VanDerWaalsContact NE2-ND1 3.1Å; F827-H830 HydrophobicContact CB-CB 3.88Å; F827-H830 PolarHBondContact O-N 2.99Å; F827-H830 VanDerWaalsContact O-N 3.13Å
831	K	61.5	Low	76.8	Confident	202 Å²	202	87 Å²	87	88%	0.878	42%	0.42	S	S	*	.			trans	-99.5	109.5	-179.2	-68.5	-178.3	-178.5	174.8	0	111
832	V	67.6	Low	77.3	Confident	58 Å²	58	88.4 Å²	88.4	35%	0.352	43%	0.428	S	S	.	.			trans	-81.3	139.4	173.6	-176	0	0	0	0	110.2
833	S	76.5	Confident	77.7	Confident	57 Å²	57	90.3 Å²	90.3	40%	0.399	44%	0.441	S	S	.	.			trans	-66.9	139.2	177	77.2	0	0	0	0	111.3	A835 N836 Y837	S833-A835 VanDerWaalsContact C-N 3.26Å; S833-A835 PolarHBondContact O-N 3.37Å; S833-N836 PolarHBondContact O-N 3.14Å; S833-N836 VanDerWaalsContact OG-CB 3.29Å; S833-N836 WeakPolarHBondContact OG-CB 3.4Å; S833-N836 PolarHBondContact OG-N 3.41Å; S833-N836 PolarHBondContact OG-ND2 3.48Å; S833-N836 VanDerWaalsContact OG-ND2 3.13Å; S833-Y837 PolarHBondContact O-N 2.86Å
834	R	75.6	Confident	78.3	Confident	125 Å²	125	88 Å²	88	47%	0.472	43%	0.431	S	S	.	.	H	α-helix	trans	-54.2	-41.2	-178.9	177.6	177.8	169.7	-166.8	-8.3	112.6	Y761 L838	Y761-R834 HydrophobicContact CD1-CG 3.7Å; Y761-R834 VanDerWaalsContact CD2-CZ 3.49Å; Y761-R834 VanDerWaalsContact CD2-NH2 3.3Å; Y761-R834 HydrophobicContact CE1-CG 3.96Å; Y761-R834 HydrophobicContact CG-CG 4.45Å; R834-L838 WeakPolarHBondContact O-CB 3.35Å; R834-L838 PolarHBondContact O-N 2.93Å; R834-L838 VanDerWaalsContact O-N 3.12Å
835	A	79.5	Confident	79.1	Confident	54 Å²	54	85.4 Å²	85.4	45%	0.446	42%	0.419	S	S	.	.	H	α-helix	trans	-70.1	-41.6	-177.2	0	0	0	0	0	112.8	S833 L838 R839	S833-A835 VanDerWaalsContact C-N 3.26Å; S833-A835 PolarHBondContact O-N 3.37Å; A835-L838 PolarHBondContact O-N 3.28Å; A835-R839 WeakPolarHBondContact O-CG 3.45Å; A835-R839 PolarHBondContact O-N 2.96Å; A835-R839 VanDerWaalsContact O-N 3.09Å
836	N	81.9	Confident	80.1	Confident	97 Å²	97	86.9 Å²	86.9	52%	0.519	42%	0.42	S	S	.	.	H	α-helix	trans	-70.5	-42.6	-177	-68.8	-6.9	0	0	0	111.2	S833 F840	S833-N836 PolarHBondContact O-N 3.14Å; S833-N836 VanDerWaalsContact OG-CB 3.29Å; S833-N836 WeakPolarHBondContact OG-CB 3.4Å; S833-N836 PolarHBondContact OG-N 3.41Å; S833-N836 PolarHBondContact OG-ND2 3.48Å; S833-N836 VanDerWaalsContact OG-ND2 3.13Å; N836-F840 WeakPolarHBondContact O-CB 3.35Å; N836-F840 PolarHBondContact O-N 2.9Å
837	Y	80.1	Confident	80.8	Confident	33 Å²	33	85.7 Å²	85.7	13%	0.129	42%	0.417	C	S	.	.	H	α-helix	trans	-64.3	-46.1	175.6	179.9	-75.3	0	0	0	111.2	L762 C816 T820 S833 R839 F840 S841	L762-Y837 HydrophobicContact CB-CD1 3.99Å; L762-Y837 HydrophobicContact CB-CE1 3.71Å; L762-Y837 HydrophobicContact CD1-CD1 3.3Å; L762-Y837 HydrophobicContact CD1-CD2 3.93Å; L762-Y837 HydrophobicContact CD1-CE1 3.79Å; L762-Y837 HydrophobicContact CD1-CE2 4.41Å; L762-Y837 HydrophobicContact CD1-CG 3.35Å; L762-Y837 HydrophobicContact CD2-CD1 3.02Å; L762-Y837 HydrophobicContact CD2-CE1 3.51Å; L762-Y837 HydrophobicContact CD2-CG 3.91Å; L762-Y837 HydrophobicContact CG-CD1 3.51Å; L762-Y837 HydrophobicContact CG-CE1 3.8Å; L762-Y837 HydrophobicContact CG-CG 4.11Å; C816-Y837 PolarHBondContact O-OH 3.29Å; C816-Y837 VanDerWaalsContact O-OH 3.08Å; T820-Y837 WeakPolarHBondContact OG1-CE2 3.26Å; T820-Y837 PolarHBondContact OG1-OH 2.88Å; S833-Y837 PolarHBondContact O-N 2.86Å; Y837-R839 VanDerWaalsContact C-N 3.3Å; Y837-R839 PolarHBondContact O-N 3.16Å; Y837-F840 WeakPolarHBondContact O-CB 3.33Å; Y837-F840 PolarHBondContact O-N 3.31Å; Y837-F840 VanDerWaalsContact O-N 3.11Å; Y837-S841 WeakPolarHBondContact CE1-OG 3.45Å; Y837-S841 PolarHBondContact O-N 2.9Å; Y837-S841 PolarHBondContact O-OG 3.27Å; Y837-S841 PolarHBondContact OH-OG 3.48Å; Y837-S841 VanDerWaalsContact OH-OG 3.1Å
838	L	83.1	Confident	81.7	Confident	41 Å²	41	83 Å²	83	22%	0.215	41%	0.407	C	S	.	.	H	α-helix	trans	-59.6	-42.8	-178.9	180	64.8	0	0	0	111.3	Y761 T765 R834 A835 S841 L842	Y761-L838 HydrophobicContact CE1-CD1 4.47Å; Y761-L838 HydrophobicContact CE1-CD2 4.24Å; T765-L838 HydrophobicContact CG2-CD1 4.03Å; R834-L838 WeakPolarHBondContact O-CB 3.35Å; R834-L838 PolarHBondContact O-N 2.93Å; R834-L838 VanDerWaalsContact O-N 3.12Å; A835-L838 PolarHBondContact O-N 3.28Å; L838-S841 PolarHBondContact O-N 2.76Å; L838-L842 HydrophobicContact CD1-CD1 4.15Å; L838-L842 HydrophobicContact CD1-CG 4.25Å; L838-L842 HydrophobicContact CG-CD1 3.94Å; L838-L842 HydrophobicContact CG-CG 4.46Å; L838-L842 WeakPolarHBondContact O-CB 3.3Å; L838-L842 VanDerWaalsContact O-CG 3.22Å; L838-L842 WeakPolarHBondContact O-CG 3.26Å; L838-L842 PolarHBondContact O-N 2.99Å
839	R	86.3	Confident	83.1	Confident	178 Å²	178	77.1 Å²	77.1	67%	0.672	38%	0.377	S	S	*	.	H	α-helix	trans	-59.8	-47.2	173.8	-73.5	176.4	-176.6	175.6	0.8	111.5	A835 Y837 L842 V843	A835-R839 WeakPolarHBondContact O-CG 3.45Å; A835-R839 PolarHBondContact O-N 2.96Å; A835-R839 VanDerWaalsContact O-N 3.09Å; Y837-R839 VanDerWaalsContact C-N 3.3Å; Y837-R839 PolarHBondContact O-N 3.16Å; R839-L842 PolarHBondContact O-N 3.29Å; R839-V843 WeakPolarHBondContact O-CG2 3.42Å; R839-V843 PolarHBondContact O-N 3.4Å; R839-V843 VanDerWaalsContact O-N 3.08Å
840	F	87.1	Confident	84.7	Confident	126 Å²	126	72.2 Å²	72.2	55%	0.553	36%	0.359	S	S	*	.	H	α-helix	trans	-60.5	-48.2	178.1	179.2	-99.8	0	0	0	112.1	N836 Y837 L842 V843 V844	N836-F840 WeakPolarHBondContact O-CB 3.35Å; N836-F840 PolarHBondContact O-N 2.9Å; Y837-F840 WeakPolarHBondContact O-CB 3.33Å; Y837-F840 PolarHBondContact O-N 3.31Å; Y837-F840 VanDerWaalsContact O-N 3.11Å; F840-L842 PolarHBondContact O-N 2.89Å; F840-V843 PolarHBondContact O-N 3.32Å; F840-V844 HydrophobicContact CD1-CG2 4.31Å; F840-V844 HydrophobicContact CD2-CG2 4.35Å; F840-V844 HydrophobicContact CE1-CG2 3.91Å; F840-V844 HydrophobicContact CE2-CG2 3.96Å; F840-V844 HydrophobicContact CZ-CG2 3.72Å; F840-V844 WeakPolarHBondContact O-CG2 3.24Å; F840-V844 PolarHBondContact O-N 3.45Å
841	S	87.6	Confident	86.1	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.007	36%	0.359	C	S	.	.	H	α-helix	trans	-68.2	-30.8	179.1	-65.8	0	0	0	0	113.9	Y837 L838 G845	Y837-S841 WeakPolarHBondContact CE1-OG 3.45Å; Y837-S841 PolarHBondContact O-N 2.9Å; Y837-S841 PolarHBondContact O-OG 3.27Å; Y837-S841 PolarHBondContact OH-OG 3.48Å; Y837-S841 VanDerWaalsContact OH-OG 3.1Å; L838-S841 PolarHBondContact O-N 2.76Å; S841-G845 VanDerWaalsContact O-CA 3.26Å; S841-G845 WeakPolarHBondContact O-CA 3.37Å; S841-G845 PolarHBondContact O-N 3.44Å
842	L	89.4	Confident	87.8	Confident	76 Å²	76	63.9 Å²	63.9	40%	0.398	33%	0.327	S	S	.	.	H	α-helix	trans	-68.3	-40.2	172.6	-73.8	168.1	0	0	0	111.4	W813 L838 R839 F840 Y846	W813-L842 HydrophobicContact CH2-CD2 3.97Å; W813-L842 HydrophobicContact CH2-CG 4.36Å; W813-L842 HydrophobicContact CZ2-CD2 3.9Å; L838-L842 HydrophobicContact CD1-CD1 4.15Å; L838-L842 HydrophobicContact CD1-CG 4.25Å; L838-L842 HydrophobicContact CG-CD1 3.94Å; L838-L842 HydrophobicContact CG-CG 4.46Å; L838-L842 WeakPolarHBondContact O-CB 3.3Å; L838-L842 VanDerWaalsContact O-CG 3.22Å; L838-L842 WeakPolarHBondContact O-CG 3.26Å; L838-L842 PolarHBondContact O-N 2.99Å; R839-L842 PolarHBondContact O-N 3.29Å; F840-L842 PolarHBondContact O-N 2.89Å; L842-Y846 HydrophobicContact CD2-CD2 4.21Å; L842-Y846 PolarHBondContact O-N 2.91Å
843	V	92.9	Very high	89.1	Confident	81 Å²	81	61.5 Å²	61.5	49%	0.491	31%	0.312	S	S	.	.	I	π-helix	trans	-63.8	-50.6	175	171.8	0	0	0	0	110.5	R839 F840 A847 I848	R839-V843 WeakPolarHBondContact O-CG2 3.42Å; R839-V843 PolarHBondContact O-N 3.4Å; R839-V843 VanDerWaalsContact O-N 3.08Å; F840-V843 PolarHBondContact O-N 3.32Å; V843-A847 HydrophobicContact CG1-CB 4.42Å; V843-A847 WeakPolarHBondContact O-CA 3.43Å; V843-A847 VanDerWaalsContact O-CB 3.28Å; V843-A847 WeakPolarHBondContact O-CB 3.03Å; V843-A847 PolarHBondContact O-N 3.07Å; V843-I848 PolarHBondContact O-N 3.33Å; V843-I848 VanDerWaalsContact O-N 3.12Å
844	V	93.4	Very high	90	Very high	12 Å²	12	64.8 Å²	64.8	7%	0.073	32%	0.32	C	S	.	.	I	π-helix	trans	-68.4	-43.9	-179.1	175.2	0	0	0	0	111.6	F812 F815 F840 I848 P849	F812-V844 WeakPolarHBondContact CB-O 3.28Å; F812-V844 HydrophobicContact CD1-CG1 3.96Å; F812-V844 VanDerWaalsContact CD1-O 3.26Å; F812-V844 WeakPolarHBondContact CD1-O 3.24Å; F815-V844 HydrophobicContact CD1-CG1 3.95Å; F815-V844 HydrophobicContact CE1-CG1 4.21Å; F840-V844 HydrophobicContact CD1-CG2 4.31Å; F840-V844 HydrophobicContact CD2-CG2 4.35Å; F840-V844 HydrophobicContact CE1-CG2 3.91Å; F840-V844 HydrophobicContact CE2-CG2 3.96Å; F840-V844 HydrophobicContact CZ-CG2 3.72Å; F840-V844 WeakPolarHBondContact O-CG2 3.24Å; F840-V844 PolarHBondContact O-N 3.45Å; V844-I848 HydrophobicContact CB-CD1 4.46Å; V844-I848 HydrophobicContact CG2-CD1 4.27Å; V844-P849 VanDerWaalsContact O-CD 3.32Å; V844-P849 WeakPolarHBondContact O-CD 3.21Å
845	G	92.6	Very high	90.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	I	π-helix	trans	-74.7	-24.7	-174.2	0	0	0	0	0	115.4	W813 S841 P849	W813-G845 PolarHBondContact NE1-O 2.87Å; S841-G845 VanDerWaalsContact O-CA 3.26Å; S841-G845 WeakPolarHBondContact O-CA 3.37Å; S841-G845 PolarHBondContact O-N 3.44Å; G845-P849 WeakPolarHBondContact O-CG 3.19Å
846	Y	95.3	Very high	91.4	Very high	53 Å²	53	60.2 Å²	60.2	21%	0.208	30%	0.3	C	S	.	.	I	π-helix	trans	-130.3	-46.8	-178.4	-74.3	-57.9	0	0	0	114.6	N769 C773 F805 A809 W813 L842 P849 L850	N769-Y846 WeakPolarHBondContact OD1-CE2 3.16Å; N769-Y846 PolarHBondContact OD1-OH 3.47Å; C773-Y846 VanDerWaalsContact SG-CE1 3.59Å; C773-Y846 PolarHBondContact SG-OH 3.27Å; F805-Y846 HydrophobicContact CE1-CD1 4.46Å; F805-Y846 HydrophobicContact CE2-CD1 4.43Å; F805-Y846 AromaticContact CZ-CD1 3.72Å; F805-Y846 HydrophobicContact CZ-CD1 3.72Å; F805-Y846 HydrophobicContact CZ-CE1 4.3Å; A809-Y846 HydrophobicContact CB-CD1 4.03Å; A809-Y846 HydrophobicContact CB-CE1 4.09Å; W813-Y846 AromaticContact CE2-CD2 3.88Å; W813-Y846 AromaticContact CE2-CE2 3.59Å; W813-Y846 AromaticContact CZ2-CD2 3.63Å; W813-Y846 HydrophobicContact CZ2-CD2 3.63Å; W813-Y846 AromaticContact CZ2-CE2 3.47Å; W813-Y846 HydrophobicContact CZ2-CE2 3.47Å; W813-Y846 VanDerWaalsContact CZ2-CE2 3.47Å; W813-Y846 AromaticContact NE1-CD1 3.94Å; W813-Y846 AromaticContact NE1-CD2 3.51Å; W813-Y846 AromaticContact NE1-CE1 3.67Å; W813-Y846 AromaticContact NE1-CE2 3.18Å; W813-Y846 AromaticContact NE1-CG 3.87Å; W813-Y846 AromaticContact NE1-CZ 3.27Å; W813-Y846 VanDerWaalsContact NE1-CZ 3.27Å; L842-Y846 HydrophobicContact CD2-CD2 4.21Å; L842-Y846 PolarHBondContact O-N 2.91Å; Y846-P849 WeakPolarHBondContact O-CD 3.49Å; Y846-L850 VanDerWaalsContact O-CB 3.23Å; Y846-L850 WeakPolarHBondContact O-CB 3.42Å; Y846-L850 PolarHBondContact O-N 3.07Å
847	A	94.8	Very high	91.9	Very high	41 Å²	41	58.5 Å²	58.5	34%	0.339	29%	0.288	S	S	.	.	I	π-helix	trans	-66.7	-42.6	-174.3	0	0	0	0	0	112	V843 L850 I851	V843-A847 HydrophobicContact CG1-CB 4.42Å; V843-A847 WeakPolarHBondContact O-CA 3.43Å; V843-A847 VanDerWaalsContact O-CB 3.28Å; V843-A847 WeakPolarHBondContact O-CB 3.03Å; V843-A847 PolarHBondContact O-N 3.07Å; A847-L850 PolarHBondContact O-N 3.08Å; A847-I851 WeakPolarHBondContact O-CD1 3.16Å; A847-I851 VanDerWaalsContact O-CG1 3.26Å; A847-I851 WeakPolarHBondContact O-CG1 3.2Å; A847-I851 PolarHBondContact O-N 2.89Å
848	I	95.1	Very high	92.5	Very high	64 Å²	64	61.8 Å²	61.8	33%	0.328	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-52.5	176.6	-60.8	178.4	0	0	0	111.9	F812 V843 V844 L850 I851 I852	F812-I848 HydrophobicContact CD1-CG2 4.45Å; F812-I848 HydrophobicContact CE1-CB 4.16Å; F812-I848 HydrophobicContact CE1-CG2 3.6Å; F812-I848 HydrophobicContact CZ-CG2 3.64Å; V843-I848 PolarHBondContact O-N 3.33Å; V843-I848 VanDerWaalsContact O-N 3.12Å; V844-I848 HydrophobicContact CB-CD1 4.46Å; V844-I848 HydrophobicContact CG2-CD1 4.27Å; I848-L850 VanDerWaalsContact C-N 3.27Å; I848-L850 PolarHBondContact O-N 3.45Å; I848-I851 PolarHBondContact O-N 3.28Å; I848-I852 HydrophobicContact CG2-CD1 4.07Å; I848-I852 WeakPolarHBondContact O-CG1 3.32Å; I848-I852 PolarHBondContact O-N 3.41Å; I848-I852 VanDerWaalsContact O-N 3.09Å
849	P	95.9	Very high	92.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-53.6	-42	173.1	-25.1	27.1	0	0	0	113.7	F805 L808 A809 F812 V844 G845 Y846 I852 V853	F805-P849 HydrophobicContact CD2-CB 4.2Å; F805-P849 HydrophobicContact CE2-CB 4.17Å; L808-P849 HydrophobicContact CB-CB 4.37Å; L808-P849 HydrophobicContact CD2-CB 4.1Å; L808-P849 HydrophobicContact CG-CB 4.04Å; A809-P849 HydrophobicContact CB-CB 4.2Å; A809-P849 HydrophobicContact CB-CG 4.16Å; F812-P849 HydrophobicContact CB-CG 3.95Å; F812-P849 HydrophobicContact CD2-CB 4.45Å; F812-P849 HydrophobicContact CD2-CG 3.56Å; F812-P849 HydrophobicContact CE2-CG 4.14Å; F812-P849 HydrophobicContact CG-CG 3.79Å; V844-P849 VanDerWaalsContact O-CD 3.32Å; V844-P849 WeakPolarHBondContact O-CD 3.21Å; G845-P849 WeakPolarHBondContact O-CG 3.19Å; Y846-P849 WeakPolarHBondContact O-CD 3.49Å; P849-I852 PolarHBondContact O-N 2.89Å; P849-V853 WeakPolarHBondContact O-CG2 3.26Å; P849-V853 PolarHBondContact O-N 2.99Å
850	L	96.4	Very high	92.9	Very high	99 Å²	99	56.8 Å²	56.8	52%	0.518	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-44.1	-179.7	-174.5	65.1	0	0	0	111.4	F805 Y846 A847 I848 V853 F854	F805-L850 HydrophobicContact CD2-CB 4.4Å; F805-L850 HydrophobicContact CD2-CD1 4.26Å; F805-L850 HydrophobicContact CE2-CB 3.9Å; F805-L850 HydrophobicContact CE2-CD1 4.11Å; Y846-L850 VanDerWaalsContact O-CB 3.23Å; Y846-L850 WeakPolarHBondContact O-CB 3.42Å; Y846-L850 PolarHBondContact O-N 3.07Å; A847-L850 PolarHBondContact O-N 3.08Å; I848-L850 VanDerWaalsContact C-N 3.27Å; I848-L850 PolarHBondContact O-N 3.45Å; L850-V853 PolarHBondContact O-N 3.27Å; L850-F854 WeakPolarHBondContact O-CB 3.41Å; L850-F854 PolarHBondContact O-N 3.09Å
851	I	96.3	Very high	92.9	Very high	104 Å²	104	57.1 Å²	57.1	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-60.8	-45.4	176.7	-69.6	164.2	0	0	0	110.5	A847 I848 V853 F854 V855	A847-I851 WeakPolarHBondContact O-CD1 3.16Å; A847-I851 VanDerWaalsContact O-CG1 3.26Å; A847-I851 WeakPolarHBondContact O-CG1 3.2Å; A847-I851 PolarHBondContact O-N 2.89Å; I848-I851 PolarHBondContact O-N 3.28Å; I851-V853 PolarHBondContact O-N 3.15Å; I851-F854 PolarHBondContact O-N 2.78Å; I851-V855 HydrophobicContact CG2-CG2 4.25Å; I851-V855 WeakPolarHBondContact O-CB 3.2Å; I851-V855 VanDerWaalsContact O-CG2 3.29Å; I851-V855 WeakPolarHBondContact O-CG2 3.46Å; I851-V855 PolarHBondContact O-N 3.42Å
852	I	95.5	Very high	92.7	Very high	42 Å²	42	58.6 Å²	58.6	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-50.4	179	-66.8	167.5	0	0	0	110.5	L808 F812 I848 P849 T856 P892	L808-I852 HydrophobicContact CD2-CB 4.03Å; L808-I852 HydrophobicContact CD2-CD1 4.12Å; L808-I852 HydrophobicContact CD2-CG2 3.91Å; F812-I852 HydrophobicContact CE2-CD1 4.21Å; F812-I852 HydrophobicContact CZ-CD1 4.07Å; I848-I852 HydrophobicContact CG2-CD1 4.07Å; I848-I852 WeakPolarHBondContact O-CG1 3.32Å; I848-I852 PolarHBondContact O-N 3.41Å; I848-I852 VanDerWaalsContact O-N 3.09Å; P849-I852 PolarHBondContact O-N 2.89Å; I852-T856 WeakPolarHBondContact O-CB 3.2Å; I852-T856 PolarHBondContact O-N 3.45Å; I852-T856 PolarHBondContact O-OG1 3.2Å; I852-P892 HydrophobicContact CD1-CG 4.26Å
853	V	95.8	Very high	92.5	Very high	7 Å²	7	55 Å²	55	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-43.3	-179.6	175.7	0	0	0	0	111.3	V801 H804 F805 L808 P849 L850 I851 T856 F857	V801-V853 HydrophobicContact CG1-CG1 4.12Å; H804-V853 HydrophobicContact CB-CG2 4.44Å; F805-V853 HydrophobicContact CB-CG2 4.13Å; L808-V853 HydrophobicContact CD2-CG2 4.35Å; P849-V853 WeakPolarHBondContact O-CG2 3.26Å; P849-V853 PolarHBondContact O-N 2.99Å; L850-V853 PolarHBondContact O-N 3.27Å; I851-V853 PolarHBondContact O-N 3.15Å; V853-T856 PolarHBondContact O-N 2.94Å; V853-F857 WeakPolarHBondContact O-CB 3.19Å; V853-F857 PolarHBondContact O-N 3.49Å
854	F	94.6	Very high	92.2	Very high	126 Å²	126	52.7 Å²	52.7	55%	0.553	29%	0.293	S	S	*	.	H	α-helix	trans	-63	-48.3	-179.4	-178.9	-106.4	0	0	0	112.2	L850 I851 T856 F857 L858	L850-F854 WeakPolarHBondContact O-CB 3.41Å; L850-F854 PolarHBondContact O-N 3.09Å; I851-F854 PolarHBondContact O-N 2.78Å; F854-T856 VanDerWaalsContact C-N 3.34Å; F854-T856 PolarHBondContact O-N 2.89Å; F854-F857 PolarHBondContact O-N 3.35Å; F854-L858 HydrophobicContact CD1-CD1 4.05Å; F854-L858 HydrophobicContact CE1-CD1 3.48Å; F854-L858 VanDerWaalsContact CE1-CD1 3.48Å; F854-L858 HydrophobicContact CE1-CG 4.38Å; F854-L858 HydrophobicContact CE2-CD1 4.32Å; F854-L858 HydrophobicContact CE2-CG 4.49Å; F854-L858 HydrophobicContact CZ-CD1 3.64Å; F854-L858 HydrophobicContact CZ-CG 4.27Å; F854-L858 WeakPolarHBondContact O-CG 3.38Å; F854-L858 PolarHBondContact O-N 2.95Å
855	V	93.6	Very high	91.8	Very high	76 Å²	76	57.3 Å²	57.3	46%	0.461	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-46.9	175.6	172	0	0	0	0	110.1	I851 F857 L858 T859	I851-V855 HydrophobicContact CG2-CG2 4.25Å; I851-V855 WeakPolarHBondContact O-CB 3.2Å; I851-V855 VanDerWaalsContact O-CG2 3.29Å; I851-V855 WeakPolarHBondContact O-CG2 3.46Å; I851-V855 PolarHBondContact O-N 3.42Å; V855-F857 VanDerWaalsContact C-N 3.32Å; V855-F857 PolarHBondContact O-N 2.9Å; V855-L858 PolarHBondContact O-N 2.98Å; V855-T859 HydrophobicContact CG1-CG2 4.23Å; V855-T859 WeakPolarHBondContact O-CG2 3.2Å; V855-T859 PolarHBondContact O-N 3.03Å; V855-T859 PolarHBondContact O-OG1 2.98Å; V855-T859 VanDerWaalsContact O-OG1 3.04Å
856	T	92.2	Very high	91.2	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.049	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-45.3	178.9	-53.7	0	0	0	0	111.5	I852 V853 F854 L858 T859 C860 Y868 T885 T888	I852-T856 WeakPolarHBondContact O-CB 3.2Å; I852-T856 PolarHBondContact O-N 3.45Å; I852-T856 PolarHBondContact O-OG1 3.2Å; V853-T856 PolarHBondContact O-N 2.94Å; F854-T856 VanDerWaalsContact C-N 3.34Å; F854-T856 PolarHBondContact O-N 2.89Å; T856-L858 PolarHBondContact O-N 3.43Å; T856-T859 WeakPolarHBondContact CA-OG1 3.43Å; T856-T859 PolarHBondContact O-N 3.45Å; T856-T859 PolarHBondContact O-OG1 3.35Å; T856-C860 WeakPolarHBondContact O-CB 3.38Å; T856-C860 PolarHBondContact O-N 2.94Å; T856-C860 PolarHBondContact O-SG 3.33Å; T856-Y868 HydrophobicContact CG2-CD2 4.1Å; T856-Y868 HydrophobicContact CG2-CE2 3.8Å; T856-T885 HydrophobicContact CG2-CG2 3.96Å; T856-T888 HydrophobicContact CG2-CG2 3.73Å; T856-T888 WeakPolarHBondContact OG1-CG2 3.37Å
857	F	92.8	Very high	90.7	Very high	60 Å²	60	60.3 Å²	60.3	26%	0.263	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-44.4	178.9	-178.4	-93.3	0	0	0	112.2	V801 V853 F854 V855 C860 G862 G863 Y868	V801-F857 HydrophobicContact CG2-CD2 4.01Å; V801-F857 HydrophobicContact CG2-CE2 4.19Å; V853-F857 WeakPolarHBondContact O-CB 3.19Å; V853-F857 PolarHBondContact O-N 3.49Å; F854-F857 PolarHBondContact O-N 3.35Å; V855-F857 VanDerWaalsContact C-N 3.32Å; V855-F857 PolarHBondContact O-N 2.9Å; F857-C860 PolarHBondContact O-N 3.48Å; F857-G862 WeakPolarHBondContact CE2-O 3.23Å; F857-G862 VanDerWaalsContact CZ-C 3.41Å; F857-G862 WeakPolarHBondContact CZ-O 3.47Å; F857-G862 WeakPolarHBondContact O-CA 3.2Å; F857-G862 PolarHBondContact O-N 2.92Å; F857-G863 PolarHBondContact O-N 3.4Å; F857-Y868 HydrophobicContact CB-CE2 4.31Å
858	L	91.9	Very high	90.5	Very high	102 Å²	102	58.3 Å²	58.3	53%	0.534	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-45	177	-69.8	-179.9	0	0	0	112.2	F854 V855 T856 C860	F854-L858 HydrophobicContact CD1-CD1 4.05Å; F854-L858 HydrophobicContact CE1-CD1 3.48Å; F854-L858 VanDerWaalsContact CE1-CD1 3.48Å; F854-L858 HydrophobicContact CE1-CG 4.38Å; F854-L858 HydrophobicContact CE2-CD1 4.32Å; F854-L858 HydrophobicContact CE2-CG 4.49Å; F854-L858 HydrophobicContact CZ-CD1 3.64Å; F854-L858 HydrophobicContact CZ-CG 4.27Å; F854-L858 WeakPolarHBondContact O-CG 3.38Å; F854-L858 PolarHBondContact O-N 2.95Å; V855-L858 PolarHBondContact O-N 2.98Å; T856-L858 PolarHBondContact O-N 3.43Å; L858-C860 PolarHBondContact O-N 3.32Å
859	T	90	Very high	90.2	Very high	100 Å²	100	55.3 Å²	55.3	61%	0.613	32%	0.315	S	S	*	.	H	α-helix	trans	-67.9	-20.1	-179.5	53.8	0	0	0	0	113.4	V855 T856	V855-T859 HydrophobicContact CG1-CG2 4.23Å; V855-T859 WeakPolarHBondContact O-CG2 3.2Å; V855-T859 PolarHBondContact O-N 3.03Å; V855-T859 PolarHBondContact O-OG1 2.98Å; V855-T859 VanDerWaalsContact O-OG1 3.04Å; T856-T859 WeakPolarHBondContact CA-OG1 3.43Å; T856-T859 PolarHBondContact O-N 3.45Å; T856-T859 PolarHBondContact O-OG1 3.35Å
860	C	88	Confident	89.7	Confident	15 Å²	15	60.1 Å²	60.1	10%	0.101	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	48.6	179.9	-63.2	0	0	0	0	112	T856 F857 L858 G862 G863 A864 V867 Y868 T885	T856-C860 WeakPolarHBondContact O-CB 3.38Å; T856-C860 PolarHBondContact O-N 2.94Å; T856-C860 PolarHBondContact O-SG 3.33Å; F857-C860 PolarHBondContact O-N 3.48Å; L858-C860 PolarHBondContact O-N 3.32Å; C860-G862 VanDerWaalsContact C-N 3.28Å; C860-G862 PolarHBondContact O-N 3.38Å; C860-G863 PolarHBondContact O-N 3.49Å; C860-A864 PolarHBondContact O-N 3.47Å; C860-V867 HydrophobicContact CB-CG1 3.93Å; C860-Y868 HydrophobicContact CB-CD2 4.03Å; C860-Y868 HydrophobicContact CB-CG 4.47Å; C860-T885 HydrophobicContact CB-CG2 4.35Å; C860-T885 WeakPolarHBondContact SG-CG2 3.32Å
861	N	85.9	Confident	89	Confident	132 Å²	132	58.8 Å²	58.8	71%	0.706	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.1	175.9	-65.1	-17.4	0	0	0	113.7	G863 A864	N861-G863 VanDerWaalsContact C-N 3.32Å; N861-G863 PolarHBondContact O-N 2.86Å; N861-A864 HydrophobicContact CB-CB 4.19Å
862	G	84.3	Confident	88.1	Confident	32 Å²	32	60.9 Å²	60.9	33%	0.33	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	31	-179.1	0	0	0	0	0	113.7	F857 C860	F857-G862 WeakPolarHBondContact CE2-O 3.23Å; F857-G862 VanDerWaalsContact CZ-C 3.41Å; F857-G862 WeakPolarHBondContact CZ-O 3.47Å; F857-G862 WeakPolarHBondContact O-CA 3.2Å; F857-G862 PolarHBondContact O-N 2.92Å; C860-G862 VanDerWaalsContact C-N 3.28Å; C860-G862 PolarHBondContact O-N 3.38Å
863	G	84.7	Confident	87.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	42.1	177.3	0	0	0	0	0	114.3	R797 F857 C860 N861 Y869	R797-G863 VanDerWaalsContact CD-O 3.23Å; R797-G863 WeakPolarHBondContact CD-O 3.37Å; F857-G863 PolarHBondContact O-N 3.4Å; C860-G863 PolarHBondContact O-N 3.49Å; N861-G863 VanDerWaalsContact C-N 3.32Å; N861-G863 PolarHBondContact O-N 2.86Å; G863-Y869 WeakPolarHBondContact O-CE1 3.08Å
864	A	87	Confident	86.9	Confident	34 Å²	34	62.2 Å²	62.2	28%	0.281	34%	0.34	S	S	.	.			trans	-69.2	149.6	179.6	0	0	0	0	0	113.4	C860 N861 V867 Y868	C860-A864 PolarHBondContact O-N 3.47Å; N861-A864 HydrophobicContact CB-CB 4.19Å; A864-V867 PolarHBondContact O-N 3.08Å; A864-Y868 PolarHBondContact O-N 3.29Å
865	E	84.8	Confident	86.7	Confident	108 Å²	108	58.5 Å²	58.5	51%	0.505	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-60.3	141.3	173.4	-175.7	-179.9	166.2	0	0	111.2	V867 Y869 R871	E865-V867 PolarHBondContact O-N 2.89Å; E865-V867 VanDerWaalsContact O-N 3.08Å; E865-Y869 HydrophobicContact CB-CE1 4.5Å; E865-R871 HydrophobicContact CG-CB 4.22Å; E865-R871 WeakPolarHBondContact OE1-CB 3.48Å; E865-R871 IonicContact OE2-NH1 2.85Å
866	G	81.1	Confident	86.5	Confident	49 Å²	49	55.2 Å²	55.2	51%	0.505	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-12.5	179	0	0	0	0	0	114.3	Y869	G866-Y869 PolarHBondContact N-O 3.48Å
867	V	85	Confident	86.2	Confident	67 Å²	67	55.8 Å²	55.8	41%	0.406	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-55.7	173.4	-172.8	0	0	0	0	111	C860 A864 E865 T885	C860-V867 HydrophobicContact CB-CG1 3.93Å; A864-V867 PolarHBondContact O-N 3.08Å; E865-V867 PolarHBondContact O-N 2.89Å; E865-V867 VanDerWaalsContact O-N 3.08Å; V867-T885 WeakPolarHBondContact O-CG2 3.22Å
868	Y	89.7	Confident	85.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-44.8	-179.3	-176.6	-92.3	0	0	0	113.2	V801 H804 T856 F857 C860 A864 L876 V877 T885	V801-Y868 HydrophobicContact CG2-CE1 3.63Å; H804-Y868 AromaticContact ND1-CZ 3.88Å; H804-Y868 PolarHBondContact ND1-OH 3.28Å; T856-Y868 HydrophobicContact CG2-CD2 4.1Å; T856-Y868 HydrophobicContact CG2-CE2 3.8Å; F857-Y868 HydrophobicContact CB-CE2 4.31Å; C860-Y868 HydrophobicContact CB-CD2 4.03Å; C860-Y868 HydrophobicContact CB-CG 4.47Å; A864-Y868 PolarHBondContact O-N 3.29Å; Y868-L876 HydrophobicContact CE1-CD2 4.13Å; Y868-L876 HydrophobicContact CE2-CD2 4.33Å; Y868-L876 WeakPolarHBondContact O-CA 3.31Å; Y868-V877 PolarHBondContact O-N 3.48Å; Y868-T885 HydrophobicContact CD2-CG2 4.22Å; Y868-T885 PolarHBondContact O-OG1 3.41Å
869	Y	89.4	Confident	84.3	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	155.5	178.2	71.3	-78.2	0	0	0	112.5	D793 C796 R797 A800 G863 E865 G866 W875 V877	D793-Y869 PolarHBondContact OD1-OH 2.95Å; D793-Y869 PolarHBondContact OD2-OH 3.47Å; C796-Y869 HydrophobicContact CB-CE2 4.18Å; R797-Y869 HydrophobicContact CB-CD1 4.4Å; R797-Y869 HydrophobicContact CB-CE1 3.73Å; R797-Y869 HydrophobicContact CG-CD1 4.29Å; R797-Y869 HydrophobicContact CG-CE1 3.78Å; A800-Y869 HydrophobicContact CB-CG 4.22Å; G863-Y869 WeakPolarHBondContact O-CE1 3.08Å; E865-Y869 HydrophobicContact CB-CE1 4.5Å; G866-Y869 PolarHBondContact N-O 3.48Å; Y869-W875 CarbonylContact C-O 3.47Å; Y869-W875 WeakPolarHBondContact CA-O 3.25Å; Y869-W875 WeakPolarHBondContact CB-O 3.36Å; Y869-V877 WeakPolarHBondContact O-CG2 3.48Å
870	F	85.4	Confident	83.1	Confident	102 Å²	102	50.3 Å²	50.3	45%	0.447	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.7	174.6	-173.4	-117.7	0	0	0	110.3	K872 T873 C874 W875 V877	F870-K872 HydrophobicContact CD1-CB 4.1Å; F870-K872 HydrophobicContact CE1-CB 3.62Å; F870-K872 HydrophobicContact CE1-CD 4.24Å; F870-K872 HydrophobicContact CE1-CG 4.03Å; F870-K872 HydrophobicContact CZ-CB 4.27Å; F870-K872 HydrophobicContact CZ-CD 4.21Å; F870-K872 HydrophobicContact CZ-CG 4.17Å; F870-K872 PolarHBondContact O-N 3.38Å; F870-T873 HydrophobicContact CD1-CG2 4.13Å; F870-T873 PolarHBondContact O-N 3.04Å; F870-C874 WeakPolarHBondContact O-CA 3.47Å; F870-C874 PolarHBondContact O-N 2.95Å; F870-W875 PolarHBondContact N-O 3.05Å; F870-V877 HydrophobicContact CB-CG2 4.44Å
871	R	81.6	Confident	82	Confident	70 Å²	70	56 Å²	56	26%	0.264	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-39.5	-169.3	-176.2	59.3	-178.8	-103.2	-3	114.2	I791 D793 E865 T873	I791-R871 PolarHBondContact O-NH2 2.75Å; D793-R871 VanDerWaalsContact CA-NH1 3.26Å; D793-R871 IonicContact OD1-CZ 3.77Å; D793-R871 IonicContact OD1-NH1 3.65Å; D793-R871 PolarHBondContact OD1-NH1 3.39Å; E865-R871 HydrophobicContact CG-CB 4.22Å; E865-R871 WeakPolarHBondContact OE1-CB 3.48Å; E865-R871 IonicContact OE2-NH1 2.85Å; R871-T873 VanDerWaalsContact C-N 3.29Å; R871-T873 PolarHBondContact O-N 3.07Å
872	K	76.6	Confident	81.2	Confident	149 Å²	149	56.9 Å²	56.9	65%	0.648	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.4	-177.7	-61.3	-170.4	172.5	-170.3	0	113.6	F870	F870-K872 HydrophobicContact CD1-CB 4.1Å; F870-K872 HydrophobicContact CE1-CB 3.62Å; F870-K872 HydrophobicContact CE1-CD 4.24Å; F870-K872 HydrophobicContact CE1-CG 4.03Å; F870-K872 HydrophobicContact CZ-CB 4.27Å; F870-K872 HydrophobicContact CZ-CD 4.21Å; F870-K872 HydrophobicContact CZ-CG 4.17Å; F870-K872 PolarHBondContact O-N 3.38Å
873	T	77.4	Confident	80.6	Confident	74 Å²	74	62.2 Å²	62.2	45%	0.454	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-8.4	-177.5	59.1	0	0	0	0	113.7	F870 R871 W875	F870-T873 HydrophobicContact CD1-CG2 4.13Å; F870-T873 PolarHBondContact O-N 3.04Å; R871-T873 VanDerWaalsContact C-N 3.29Å; R871-T873 PolarHBondContact O-N 3.07Å; T873-W875 PolarHBondContact O-N 2.98Å
874	C	88.1	Confident	80.5	Confident	2 Å²	2	64 Å²	64	1%	0.014	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	48.8	-172.5	-61.3	0	0	0	0	112.1	C796 K803 F870	C796-C874 VanDerWaalsContact CA-SG 3.55Å; C796-C874 HydrophobicContact CB-CB 4.13Å; C796-C874 WeakPolarHBondContact CB-SG 3.4Å; C796-C874 WeakPolarHBondContact SG-CA 2.99Å; C796-C874 WeakPolarHBondContact SG-CB 3.29Å; C796-C874 CovalentContact SG-SG 2.03Å; C796-C874 PolarHBondContact SG-SG 2.96Å; K803-C874 PolarHBondContact NZ-O 2.95Å; F870-C874 WeakPolarHBondContact O-CA 3.47Å; F870-C874 PolarHBondContact O-N 2.95Å
875	W	90.6	Very high	80.6	Confident	49 Å²	49	62.8 Å²	62.8	19%	0.186	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	167.9	-177.5	-168	-122.7	0	0	0	111.7	K803 H804 Y807 Y869 F870 T873 F886 F889	K803-W875 HydrophobicContact CB-CE3 3.83Å; K803-W875 HydrophobicContact CB-CH2 4.1Å; K803-W875 HydrophobicContact CB-CZ3 3.21Å; K803-W875 HydrophobicContact CD-CE3 3.79Å; K803-W875 HydrophobicContact CD-CZ3 4.05Å; K803-W875 HydrophobicContact CG-CZ3 4.31Å; H804-W875 HydrophobicContact CB-CZ3 4.34Å; Y807-W875 AromaticContact CD2-CH2 3.81Å; Y807-W875 HydrophobicContact CD2-CH2 3.81Å; Y807-W875 HydrophobicContact CD2-CZ2 4.44Å; Y807-W875 HydrophobicContact CD2-CZ3 4.36Å; Y807-W875 HydrophobicContact CE2-CH2 4.47Å; Y869-W875 CarbonylContact C-O 3.47Å; Y869-W875 WeakPolarHBondContact CA-O 3.25Å; Y869-W875 WeakPolarHBondContact CB-O 3.36Å; F870-W875 PolarHBondContact N-O 3.05Å; T873-W875 PolarHBondContact O-N 2.98Å; W875-F886 AromaticContact NE1-CD2 3.77Å; W875-F886 AromaticContact NE1-CE2 3.72Å; W875-F889 HydrophobicContact CZ2-CD1 4.3Å; W875-F889 HydrophobicContact CZ2-CE1 4.35Å
876	L	89.6	Confident	80.8	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	144.9	-175.9	-61.2	171.3	0	0	0	112.3	H804 Y868 F886 F889	H804-L876 HydrophobicContact CB-CD1 4.46Å; H804-L876 HydrophobicContact CB-CD2 4.36Å; Y868-L876 HydrophobicContact CE1-CD2 4.13Å; Y868-L876 HydrophobicContact CE2-CD2 4.33Å; Y868-L876 WeakPolarHBondContact O-CA 3.31Å; L876-F886 HydrophobicContact CB-CB 4.13Å; L876-F886 HydrophobicContact CB-CD2 4.39Å; L876-F889 HydrophobicContact CD1-CB 3.64Å; L876-F889 HydrophobicContact CD1-CG 4.42Å
877	V	87	Confident	81.1	Confident	20 Å²	20	58.2 Å²	58.2	12%	0.121	30%	0.299	C	S	.	.			trans	-74.6	132	-179	176.8	0	0	0	0	110.4	Y868 Y869 F870 G884 T885 F886	Y868-V877 PolarHBondContact O-N 3.48Å; Y869-V877 WeakPolarHBondContact O-CG2 3.48Å; F870-V877 HydrophobicContact CB-CG2 4.44Å; V877-G884 CarbonylContact O-C 3.54Å; V877-G884 VanDerWaalsContact O-C 3.32Å; V877-G884 WeakPolarHBondContact O-CA 3.28Å; V877-T885 PolarHBondContact N-OG1 2.81Å; V877-T885 VanDerWaalsContact N-OG1 3.08Å; V877-T885 PolarHBondContact O-N 3.12Å; V877-F886 WeakPolarHBondContact O-CB 3.32Å; V877-F886 PolarHBondContact O-N 3.48Å
878	Y	79.5	Confident	81.4	Confident	78 Å²	78	57 Å²	57	31%	0.306	29%	0.291	S	S	.	.			trans	-107.2	114.8	167.7	-178.3	-93.6	0	0	0	109	R671 F886 Y887 L958	R671-Y878 PolarHBondContact NH1-OH 3.35Å; Y878-F886 HydrophobicContact CD2-CB 4.48Å; Y878-F886 HydrophobicContact CD2-CD1 4.05Å; Y878-F886 HydrophobicContact CD2-CG 4.49Å; Y878-Y887 HydrophobicContact CD2-CE2 4.24Å; Y878-Y887 AromaticContact CE2-CE2 3.98Å; Y878-Y887 HydrophobicContact CE2-CE2 3.98Å; Y878-L958 HydrophobicContact CE2-CD2 4.3Å
879	G	63.8	Low	81.5	Confident	46 Å²	46	57 Å²	57	47%	0.474	29%	0.291	S	S	.	.			trans	-112.6	13.9	-175.3	0	0	0	0	0	114.5	K883	G879-K883 CarbonylContact C-O 3.32Å; G879-K883 WeakPolarHBondContact CA-O 3.43Å; G879-K883 PolarHBondContact N-O 3.35Å; G879-K883 WeakPolarHBondContact O-CB 3.39Å
880	G	65.9	Low	81.6	Confident	23 Å²	23	57.3 Å²	57.3	24%	0.237	29%	0.293	C	S	.	.	S	Bend	trans	113.4	-173.6	-175.5	0	0	0	0	0	113.1	F882 K883 Y887	G880-F882 PolarHBondContact O-N 3.09Å; G880-F882 VanDerWaalsContact O-N 3.16Å; G880-K883 PolarHBondContact O-N 3.02Å; G880-Y887 WeakPolarHBondContact O-CE2 3.44Å; G880-Y887 PolarHBondContact O-OH 3.5Å
881	L	64.1	Low	81.8	Confident	134 Å²	134	57 Å²	57	70%	0.702	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	119	-177.8	-158.3	92.3	0	0	0	110.9	K883 Y887	L881-K883 PolarHBondContact O-N 3.11Å; L881-K883 VanDerWaalsContact O-N 3.16Å; L881-Y887 WeakPolarHBondContact CA-OH 3.42Å
882	F	69.1	Low	82.4	Confident	151 Å²	151	55 Å²	55	66%	0.662	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	19	-174.3	-57.5	-76.4	0	0	0	115.3	G880 Y887	G880-F882 PolarHBondContact O-N 3.09Å; G880-F882 VanDerWaalsContact O-N 3.16Å; F882-Y887 HydrophobicContact CD1-CD1 4.17Å; F882-Y887 HydrophobicContact CD1-CE1 4.18Å; F882-Y887 VanDerWaalsContact N-CE2 3.28Å; F882-Y887 PolarHBondContact N-OH 3.01Å
883	K	72.9	Confident	83.1	Confident	143 Å²	143	47.9 Å²	47.9	62%	0.622	26%	0.26	S	S	*	.			trans	-116.8	132.4	177.6	-71.3	-176	-179.9	179.6	0	110.3	G879 G880 L881	G879-K883 CarbonylContact C-O 3.32Å; G879-K883 WeakPolarHBondContact CA-O 3.43Å; G879-K883 PolarHBondContact N-O 3.35Å; G879-K883 WeakPolarHBondContact O-CB 3.39Å; G880-K883 PolarHBondContact O-N 3.02Å; L881-K883 PolarHBondContact O-N 3.11Å; L881-K883 VanDerWaalsContact O-N 3.16Å
884	G	81.8	Confident	83.7	Confident	38 Å²	38	45.2 Å²	45.2	39%	0.392	25%	0.247	S	C	.	.	S	Bend	trans	100	161.5	-178.6	0	0	0	0	0	113.7	V877 F886	V877-G884 CarbonylContact O-C 3.54Å; V877-G884 VanDerWaalsContact O-C 3.32Å; V877-G884 WeakPolarHBondContact O-CA 3.28Å; G884-F886 VanDerWaalsContact C-N 3.26Å; G884-F886 PolarHBondContact O-N 3.46Å
885	T	88.9	Confident	84	Confident	8 Å²	8	47.7 Å²	47.7	5%	0.049	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.1	-175.5	49.1	0	0	0	0	114.1	T856 C860 V867 Y868 V877 Y887 T888	T856-T885 HydrophobicContact CG2-CG2 3.96Å; C860-T885 HydrophobicContact CB-CG2 4.35Å; C860-T885 WeakPolarHBondContact SG-CG2 3.32Å; V867-T885 WeakPolarHBondContact O-CG2 3.22Å; Y868-T885 HydrophobicContact CD2-CG2 4.22Å; Y868-T885 PolarHBondContact O-OG1 3.41Å; V877-T885 PolarHBondContact N-OG1 2.81Å; V877-T885 VanDerWaalsContact N-OG1 3.08Å; V877-T885 PolarHBondContact O-N 3.12Å; T885-Y887 PolarHBondContact O-N 3.1Å; T885-T888 PolarHBondContact O-N 3.21Å; T885-T888 VanDerWaalsContact O-N 3.08Å; T885-T888 PolarHBondContact O-OG1 2.81Å
886	F	88.5	Confident	84.1	Confident	25 Å²	25	45.8 Å²	45.8	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-27.7	175.6	-178	-97.4	0	0	0	112.7	W875 L876 V877 Y878 G884 T888 F889 I890 L958	W875-F886 AromaticContact NE1-CD2 3.77Å; W875-F886 AromaticContact NE1-CE2 3.72Å; L876-F886 HydrophobicContact CB-CB 4.13Å; L876-F886 HydrophobicContact CB-CD2 4.39Å; V877-F886 WeakPolarHBondContact O-CB 3.32Å; V877-F886 PolarHBondContact O-N 3.48Å; Y878-F886 HydrophobicContact CD2-CB 4.48Å; Y878-F886 HydrophobicContact CD2-CD1 4.05Å; Y878-F886 HydrophobicContact CD2-CG 4.49Å; G884-F886 VanDerWaalsContact C-N 3.26Å; G884-F886 PolarHBondContact O-N 3.46Å; F886-T888 VanDerWaalsContact C-N 3.33Å; F886-T888 PolarHBondContact O-N 3.44Å; F886-F889 HydrophobicContact CE2-CD1 4.37Å; F886-F889 PolarHBondContact O-N 3.23Å; F886-I890 HydrophobicContact CD1-CB 4.23Å; F886-I890 HydrophobicContact CD1-CG2 4.18Å; F886-I890 HydrophobicContact CE1-CB 3.72Å; F886-I890 HydrophobicContact CE1-CD1 4.3Å; F886-I890 HydrophobicContact CE1-CG1 3.96Å; F886-I890 HydrophobicContact CE1-CG2 4.01Å; F886-I890 HydrophobicContact CZ-CB 4.21Å; F886-I890 HydrophobicContact CZ-CD1 4.15Å; F886-I890 HydrophobicContact CZ-CG1 4.31Å; F886-I890 PolarHBondContact O-N 3.24Å; F886-I890 VanDerWaalsContact O-N 3.07Å; F886-L958 HydrophobicContact CD1-CD2 4.38Å; F886-L958 HydrophobicContact CE1-CD1 3.58Å; F886-L958 HydrophobicContact CE1-CD2 3.59Å; F886-L958 HydrophobicContact CE1-CG 4.21Å; F886-L958 HydrophobicContact CZ-CD1 4.06Å; F886-L958 HydrophobicContact CZ-CD2 4.06Å
887	Y	88.4	Confident	84.1	Confident	36 Å²	36	45.8 Å²	45.8	14%	0.141	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-26.5	178.8	-76.3	-82.5	0	0	0	114.7	Y878 G880 L881 F882 T885 F889 I890 I891	Y878-Y887 HydrophobicContact CD2-CE2 4.24Å; Y878-Y887 AromaticContact CE2-CE2 3.98Å; Y878-Y887 HydrophobicContact CE2-CE2 3.98Å; G880-Y887 WeakPolarHBondContact O-CE2 3.44Å; G880-Y887 PolarHBondContact O-OH 3.5Å; L881-Y887 WeakPolarHBondContact CA-OH 3.42Å; F882-Y887 HydrophobicContact CD1-CD1 4.17Å; F882-Y887 HydrophobicContact CD1-CE1 4.18Å; F882-Y887 VanDerWaalsContact N-CE2 3.28Å; F882-Y887 PolarHBondContact N-OH 3.01Å; T885-Y887 PolarHBondContact O-N 3.1Å; Y887-F889 PolarHBondContact O-N 3.23Å; Y887-I890 HydrophobicContact CD1-CG2 3.89Å; Y887-I890 HydrophobicContact CE1-CG2 4.36Å; Y887-I890 HydrophobicContact CG-CG2 4.47Å; Y887-I891 HydrophobicContact CD1-CD1 4.05Å; Y887-I891 HydrophobicContact CD1-CG1 4.16Å; Y887-I891 WeakPolarHBondContact O-CB 2.91Å; Y887-I891 WeakPolarHBondContact O-CG1 3.15Å; Y887-I891 PolarHBondContact O-N 3.47Å
888	T	91.6	Very high	84.2	Confident	41 Å²	41	52 Å²	52	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-20.4	176.7	67.7	0	0	0	0	112	H804 T856 T885 F886 P892	H804-T888 PolarHBondContact CE1-OG1 2.83Å; H804-T888 PolarHBondContact NE2-OG1 3.44Å; T856-T888 HydrophobicContact CG2-CG2 3.73Å; T856-T888 WeakPolarHBondContact OG1-CG2 3.37Å; T885-T888 PolarHBondContact O-N 3.21Å; T885-T888 VanDerWaalsContact O-N 3.08Å; T885-T888 PolarHBondContact O-OG1 2.81Å; F886-T888 VanDerWaalsContact C-N 3.33Å; F886-T888 PolarHBondContact O-N 3.44Å; T888-P892 WeakPolarHBondContact O-CD 3.43Å; T888-P892 WeakPolarHBondContact O-CG 3.31Å
889	F	92	Very high	84.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-90.8	-53.6	172.6	173.5	-104	0	0	0	111.3	L808 F811 W875 L876 F886 Y887 I891 P892 V893 W951	L808-F889 HydrophobicContact CB-CD2 4.28Å; L808-F889 HydrophobicContact CB-CE2 4.48Å; L808-F889 HydrophobicContact CD1-CD2 4.33Å; F811-F889 HydrophobicContact CE2-CZ 4.13Å; W875-F889 HydrophobicContact CZ2-CD1 4.3Å; W875-F889 HydrophobicContact CZ2-CE1 4.35Å; L876-F889 HydrophobicContact CD1-CB 3.64Å; L876-F889 HydrophobicContact CD1-CG 4.42Å; F886-F889 HydrophobicContact CE2-CD1 4.37Å; F886-F889 PolarHBondContact O-N 3.23Å; Y887-F889 PolarHBondContact O-N 3.23Å; F889-I891 PolarHBondContact O-N 2.96Å; F889-P892 WeakPolarHBondContact O-CD 3.34Å; F889-V893 HydrophobicContact CD2-CG2 4.14Å; F889-V893 HydrophobicContact CE1-CG2 4.22Å; F889-V893 HydrophobicContact CE2-CG2 3.82Å; F889-V893 HydrophobicContact CG-CG2 4.48Å; F889-V893 HydrophobicContact CZ-CG2 3.87Å; F889-V893 WeakPolarHBondContact O-CB 3.29Å; F889-V893 WeakPolarHBondContact O-CG2 3.48Å; F889-V893 PolarHBondContact O-N 3.4Å; F889-W951 AromaticContact CE1-CH2 3.67Å; F889-W951 HydrophobicContact CE1-CH2 3.67Å; F889-W951 AromaticContact CE1-CZ3 3.72Å; F889-W951 HydrophobicContact CE1-CZ3 3.72Å; F889-W951 AromaticContact CZ-CH2 3.76Å; F889-W951 HydrophobicContact CZ-CH2 3.76Å; F889-W951 HydrophobicContact CZ-CZ2 4.41Å; F889-W951 HydrophobicContact CZ-CZ3 4.2Å
890	I	89.9	Confident	85.8	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.036	27%	0.267	C	S	.	.	H	α-helix	trans	-71.7	-31.7	-167.4	-158.7	65.3	0	0	0	113.9	F886 Y887 V893 G894 W951 F955 L958	F886-I890 HydrophobicContact CD1-CB 4.23Å; F886-I890 HydrophobicContact CD1-CG2 4.18Å; F886-I890 HydrophobicContact CE1-CB 3.72Å; F886-I890 HydrophobicContact CE1-CD1 4.3Å; F886-I890 HydrophobicContact CE1-CG1 3.96Å; F886-I890 HydrophobicContact CE1-CG2 4.01Å; F886-I890 HydrophobicContact CZ-CB 4.21Å; F886-I890 HydrophobicContact CZ-CD1 4.15Å; F886-I890 HydrophobicContact CZ-CG1 4.31Å; F886-I890 PolarHBondContact O-N 3.24Å; F886-I890 VanDerWaalsContact O-N 3.07Å; Y887-I890 HydrophobicContact CD1-CG2 3.89Å; Y887-I890 HydrophobicContact CE1-CG2 4.36Å; Y887-I890 HydrophobicContact CG-CG2 4.47Å; I890-V893 PolarHBondContact O-N 3.19Å; I890-G894 PolarHBondContact O-N 3.18Å; I890-W951 HydrophobicContact CD1-CE3 4.34Å; I890-W951 HydrophobicContact CD1-CZ3 4.31Å; I890-F955 HydrophobicContact CD1-CD1 4.49Å; I890-F955 HydrophobicContact CD1-CE1 3.85Å; I890-F955 HydrophobicContact CD1-CE2 4.46Å; I890-F955 HydrophobicContact CD1-CZ 3.78Å; I890-F955 HydrophobicContact CG1-CD1 4.24Å; I890-F955 HydrophobicContact CG1-CE1 3.5Å; I890-F955 HydrophobicContact CG1-CZ 3.87Å; I890-L958 HydrophobicContact CD1-CD1 4.02Å; I890-L958 HydrophobicContact CG1-CD1 3.72Å
891	I	91.1	Very high	86.7	Confident	97 Å²	97	50.6 Å²	50.6	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-67.1	-52.4	-179.8	-67.2	171.3	0	0	0	110.7	Y887 F889 V893 G894 A895	Y887-I891 HydrophobicContact CD1-CD1 4.05Å; Y887-I891 HydrophobicContact CD1-CG1 4.16Å; Y887-I891 WeakPolarHBondContact O-CB 2.91Å; Y887-I891 WeakPolarHBondContact O-CG1 3.15Å; Y887-I891 PolarHBondContact O-N 3.47Å; F889-I891 PolarHBondContact O-N 2.96Å; I891-V893 VanDerWaalsContact C-N 3.3Å; I891-V893 PolarHBondContact O-N 2.91Å; I891-G894 PolarHBondContact O-N 3.48Å; I891-A895 PolarHBondContact O-N 2.82Å; I891-A895 VanDerWaalsContact O-N 3.08Å
892	P	93.4	Very high	87.7	Confident	27 Å²	27	50 Å²	50	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-42.7	172.4	-27.8	35.2	0	0	0	113.2	L808 F812 I852 T888 F889 G894 A895 I896	L808-P892 HydrophobicContact CD1-CB 3.95Å; F812-P892 HydrophobicContact CE2-CB 4.35Å; I852-P892 HydrophobicContact CD1-CG 4.26Å; T888-P892 WeakPolarHBondContact O-CD 3.43Å; T888-P892 WeakPolarHBondContact O-CG 3.31Å; F889-P892 WeakPolarHBondContact O-CD 3.34Å; P892-G894 PolarHBondContact O-N 2.87Å; P892-A895 PolarHBondContact O-N 3.07Å; P892-I896 WeakPolarHBondContact O-CG1 3.3Å; P892-I896 PolarHBondContact O-N 3.34Å
893	V	92.1	Very high	88.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.9	-44.6	178.1	168.9	0	0	0	0	111.2	L808 F811 F889 I890 I891 A895 I896 V897 W951	L808-V893 HydrophobicContact CD1-CG2 4.26Å; F811-V893 HydrophobicContact CB-CG2 4.42Å; F811-V893 HydrophobicContact CD1-CG1 4.17Å; F811-V893 HydrophobicContact CD2-CB 4.37Å; F811-V893 HydrophobicContact CD2-CG1 4.06Å; F811-V893 HydrophobicContact CD2-CG2 3.46Å; F811-V893 VanDerWaalsContact CD2-CG2 3.46Å; F811-V893 HydrophobicContact CE1-CG1 3.74Å; F811-V893 HydrophobicContact CE2-CB 4.34Å; F811-V893 HydrophobicContact CE2-CG1 3.63Å; F811-V893 HydrophobicContact CE2-CG2 3.69Å; F811-V893 HydrophobicContact CG-CG1 4.29Å; F811-V893 HydrophobicContact CG-CG2 3.94Å; F811-V893 HydrophobicContact CZ-CG1 3.42Å; F811-V893 VanDerWaalsContact CZ-CG1 3.42Å; F811-V893 HydrophobicContact CZ-CG2 4.33Å; F889-V893 HydrophobicContact CD2-CG2 4.14Å; F889-V893 HydrophobicContact CE1-CG2 4.22Å; F889-V893 HydrophobicContact CE2-CG2 3.82Å; F889-V893 HydrophobicContact CG-CG2 4.48Å; F889-V893 HydrophobicContact CZ-CG2 3.87Å; F889-V893 WeakPolarHBondContact O-CB 3.29Å; F889-V893 WeakPolarHBondContact O-CG2 3.48Å; F889-V893 PolarHBondContact O-N 3.4Å; I890-V893 PolarHBondContact O-N 3.19Å; I891-V893 VanDerWaalsContact C-N 3.3Å; I891-V893 PolarHBondContact O-N 2.91Å; V893-A895 PolarHBondContact O-N 3.09Å; V893-I896 PolarHBondContact O-N 3.28Å; V893-V897 HydrophobicContact CG1-CG2 4.16Å; V893-V897 WeakPolarHBondContact O-CB 3.31Å; V893-V897 VanDerWaalsContact O-CG2 3.29Å; V893-V897 WeakPolarHBondContact O-CG2 3.49Å; V893-V897 PolarHBondContact O-N 3.41Å; V893-W951 HydrophobicContact CG1-CD2 4.49Å; V893-W951 HydrophobicContact CG1-CE3 4.35Å
894	G	90.3	Very high	88.8	Confident	18 Å²	18	37.1 Å²	37.1	19%	0.186	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-44.2	177.8	0	0	0	0	0	112.8	I890 I891 P892 I896 V897 F898	I890-G894 PolarHBondContact O-N 3.18Å; I891-G894 PolarHBondContact O-N 3.48Å; P892-G894 PolarHBondContact O-N 2.87Å; G894-I896 VanDerWaalsContact C-N 3.34Å; G894-I896 PolarHBondContact O-N 3.24Å; G894-V897 PolarHBondContact O-N 2.97Å; G894-F898 WeakPolarHBondContact O-CB 3.23Å; G894-F898 PolarHBondContact O-N 3.48Å
895	A	92.6	Very high	88.7	Confident	54 Å²	54	39.7 Å²	39.7	45%	0.446	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-43.5	175.1	0	0	0	0	0	111.8	I891 P892 V893 F898 I899	I891-A895 PolarHBondContact O-N 2.82Å; I891-A895 VanDerWaalsContact O-N 3.08Å; P892-A895 PolarHBondContact O-N 3.07Å; V893-A895 PolarHBondContact O-N 3.09Å; A895-F898 PolarHBondContact O-N 3.48Å; A895-I899 VanDerWaalsContact O-CG1 3.28Å; A895-I899 WeakPolarHBondContact O-CG1 3.45Å; A895-I899 PolarHBondContact O-N 3.14Å
896	I	92.8	Very high	88.5	Confident	9 Å²	9	41.1 Å²	41.1	5%	0.046	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-47.9	177.9	-71.9	166.4	0	0	0	111.5	F811 F812 F815 P892 V893 G894 F898 I899 N900	F811-I896 HydrophobicContact CB-CD1 4.05Å; F811-I896 HydrophobicContact CB-CG2 4.36Å; F811-I896 HydrophobicContact CD1-CG2 4.34Å; F812-I896 HydrophobicContact CD1-CD1 4.14Å; F812-I896 HydrophobicContact CD2-CD1 3.71Å; F812-I896 HydrophobicContact CE1-CD1 4.23Å; F812-I896 HydrophobicContact CE2-CD1 3.83Å; F812-I896 HydrophobicContact CG-CD1 3.9Å; F812-I896 HydrophobicContact CZ-CD1 4.09Å; F815-I896 HydrophobicContact CB-CG1 4.33Å; F815-I896 HydrophobicContact CB-CG2 3.86Å; P892-I896 WeakPolarHBondContact O-CG1 3.3Å; P892-I896 PolarHBondContact O-N 3.34Å; V893-I896 PolarHBondContact O-N 3.28Å; G894-I896 VanDerWaalsContact C-N 3.34Å; G894-I896 PolarHBondContact O-N 3.24Å; I896-F898 VanDerWaalsContact C-N 3.29Å; I896-F898 PolarHBondContact O-N 3.33Å; I896-I899 PolarHBondContact O-N 3.36Å; I896-N900 WeakPolarHBondContact O-CB 3.26Å; I896-N900 PolarHBondContact O-N 2.67Å
897	V	89.9	Confident	87.9	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-42.7	179	170.9	0	0	0	0	110.1	F811 V893 G894 N900 V901 G948 W951	F811-V897 HydrophobicContact CD1-CG2 4.41Å; F811-V897 HydrophobicContact CE1-CG2 3.84Å; V893-V897 HydrophobicContact CG1-CG2 4.16Å; V893-V897 WeakPolarHBondContact O-CB 3.31Å; V893-V897 VanDerWaalsContact O-CG2 3.29Å; V893-V897 WeakPolarHBondContact O-CG2 3.49Å; V893-V897 PolarHBondContact O-N 3.41Å; G894-V897 PolarHBondContact O-N 2.97Å; V897-N900 PolarHBondContact O-N 3.48Å; V897-V901 HydrophobicContact CG1-CG2 4.39Å; V897-V901 VanDerWaalsContact O-CG2 3.3Å; V897-V901 WeakPolarHBondContact O-CG2 3.43Å; V897-V901 PolarHBondContact O-N 3.13Å; V897-G948 WeakPolarHBondContact CG2-O 3.32Å; V897-W951 HydrophobicContact CG2-CB 4.32Å
898	F	89.3	Confident	87.3	Confident	151 Å²	151	41.2 Å²	41.2	66%	0.662	22%	0.223	S	C	*	.	H	α-helix	trans	-58.7	-49.3	175.2	179.2	-97.5	0	0	0	112.1	G894 A895 I896 N900 V901 F902	G894-F898 WeakPolarHBondContact O-CB 3.23Å; G894-F898 PolarHBondContact O-N 3.48Å; A895-F898 PolarHBondContact O-N 3.48Å; I896-F898 VanDerWaalsContact C-N 3.29Å; I896-F898 PolarHBondContact O-N 3.33Å; F898-N900 VanDerWaalsContact C-N 3.32Å; F898-N900 PolarHBondContact O-N 3.49Å; F898-V901 PolarHBondContact O-N 3.28Å; F898-F902 WeakPolarHBondContact O-CB 3.5Å; F898-F902 PolarHBondContact O-N 3.47Å
899	I	88.8	Confident	86.6	Confident	70 Å²	70	45.5 Å²	45.5	36%	0.359	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-37.3	178.4	-61.5	161.9	0	0	0	111.2	F815 A895 I896 F902 S903	F815-I899 HydrophobicContact CD2-CG2 4.24Å; F815-I899 HydrophobicContact CE2-CB 4.3Å; F815-I899 HydrophobicContact CE2-CD1 4.07Å; F815-I899 HydrophobicContact CE2-CG2 3.72Å; A895-I899 VanDerWaalsContact O-CG1 3.28Å; A895-I899 WeakPolarHBondContact O-CG1 3.45Å; A895-I899 PolarHBondContact O-N 3.14Å; I896-I899 PolarHBondContact O-N 3.36Å; I899-F902 PolarHBondContact O-N 3.35Å; I899-S903 WeakPolarHBondContact O-CB 3.33Å; I899-S903 PolarHBondContact O-N 3Å
900	N	88.1	Confident	85.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-42.1	177.3	-73	-11.5	0	0	0	112.2	S818 I896 V897 F898 S903 M904 F947	S818-N900 WeakPolarHBondContact CB-OD1 3.42Å; S818-N900 PolarHBondContact OG-OD1 3.28Å; S818-N900 VanDerWaalsContact OG-OD1 3.07Å; I896-N900 WeakPolarHBondContact O-CB 3.26Å; I896-N900 PolarHBondContact O-N 2.67Å; V897-N900 PolarHBondContact O-N 3.48Å; F898-N900 VanDerWaalsContact C-N 3.32Å; F898-N900 PolarHBondContact O-N 3.49Å; N900-S903 PolarHBondContact O-N 2.93Å; N900-M904 VanDerWaalsContact O-CB 3.31Å; N900-M904 WeakPolarHBondContact O-CB 3.34Å; N900-M904 VanDerWaalsContact O-CG 3.3Å; N900-M904 WeakPolarHBondContact O-CG 3.4Å; N900-M904 PolarHBondContact O-N 2.97Å; N900-F947 PolarHBondContact ND2-O 3.25Å
901	V	85.1	Confident	84.9	Confident	47 Å²	47	54.7 Å²	54.7	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-61.1	-47.9	173.6	170.2	0	0	0	0	110.1	V897 F898 S903 M904 L905 V949	V897-V901 HydrophobicContact CG1-CG2 4.39Å; V897-V901 VanDerWaalsContact O-CG2 3.3Å; V897-V901 WeakPolarHBondContact O-CG2 3.43Å; V897-V901 PolarHBondContact O-N 3.13Å; F898-V901 PolarHBondContact O-N 3.28Å; V901-S903 PolarHBondContact O-N 3.48Å; V901-M904 PolarHBondContact O-N 2.8Å; V901-L905 HydrophobicContact CG1-CD1 4.13Å; V901-L905 VanDerWaalsContact O-CG 3.3Å; V901-L905 WeakPolarHBondContact O-CG 3.3Å; V901-L905 PolarHBondContact O-N 3.26Å; V901-V949 HydrophobicContact CG2-CG1 4.24Å; V901-V949 HydrophobicContact CG2-CG2 3.85Å
902	F	86.2	Confident	83.9	Confident	120 Å²	120	53.8 Å²	53.8	53%	0.526	29%	0.285	S	S	.	.	H	α-helix	trans	-58.6	-48.5	176.9	177.4	-100.4	0	0	0	112.3	F898 I899 M904 L905 V906	F898-F902 WeakPolarHBondContact O-CB 3.5Å; F898-F902 PolarHBondContact O-N 3.47Å; I899-F902 PolarHBondContact O-N 3.35Å; F902-M904 PolarHBondContact O-N 3.46Å; F902-L905 PolarHBondContact O-N 3.02Å; F902-V906 HydrophobicContact CE1-CG2 4.21Å; F902-V906 HydrophobicContact CE2-CG2 4.42Å; F902-V906 HydrophobicContact CZ-CG2 4.1Å; F902-V906 WeakPolarHBondContact O-CG2 3.24Å; F902-V906 PolarHBondContact O-N 2.93Å; F902-V906 VanDerWaalsContact O-N 3.1Å
903	S	84.1	Confident	82.8	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-56.6	-49.2	175.9	168.7	0	0	0	0	111.8	S818 L822 I899 N900 V901 L905 V906 V907	S818-S903 PolarHBondContact O-OG 3.41Å; S818-S903 WeakPolarHBondContact OG-CB 3.4Å; S818-S903 PolarHBondContact OG-OG 3.4Å; L822-S903 WeakPolarHBondContact CB-OG 3.48Å; I899-S903 WeakPolarHBondContact O-CB 3.33Å; I899-S903 PolarHBondContact O-N 3Å; N900-S903 PolarHBondContact O-N 2.93Å; V901-S903 PolarHBondContact O-N 3.48Å; S903-L905 PolarHBondContact O-N 2.96Å; S903-V906 PolarHBondContact O-N 3.04Å; S903-V907 VanDerWaalsContact O-CG2 3.3Å; S903-V907 WeakPolarHBondContact O-CG2 3.42Å; S903-V907 PolarHBondContact O-N 3.19Å
904	M	79.2	Confident	81.4	Confident	23 Å²	23	59.1 Å²	59.1	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-42	178	-80.1	-64.7	-71.1	0	0	112.3	N900 V901 F902 V906 V907 I908 L943 F947	N900-M904 VanDerWaalsContact O-CB 3.31Å; N900-M904 WeakPolarHBondContact O-CB 3.34Å; N900-M904 VanDerWaalsContact O-CG 3.3Å; N900-M904 WeakPolarHBondContact O-CG 3.4Å; N900-M904 PolarHBondContact O-N 2.97Å; V901-M904 PolarHBondContact O-N 2.8Å; F902-M904 PolarHBondContact O-N 3.46Å; M904-V906 PolarHBondContact O-N 3.25Å; M904-V907 PolarHBondContact O-N 3.42Å; M904-I908 HydrophobicContact CE-CD1 4.42Å; M904-I908 WeakPolarHBondContact O-CB 3.33Å; M904-I908 WeakPolarHBondContact O-CD1 3.36Å; M904-I908 WeakPolarHBondContact O-CG1 3.49Å; M904-I908 PolarHBondContact O-N 3.05Å; M904-L943 HydrophobicContact CE-CB 4.38Å; M904-F947 HydrophobicContact CE-CD2 3.72Å; M904-F947 HydrophobicContact CE-CE2 3.65Å; M904-F947 HydrophobicContact CG-CB 4.46Å; M904-F947 HydrophobicContact CG-CD1 4.41Å; M904-F947 HydrophobicContact CG-CD2 3.86Å; M904-F947 HydrophobicContact CG-CE2 4.22Å; M904-F947 HydrophobicContact CG-CG 3.98Å; M904-F947 HydrophobicContact SD-CD1 4.43Å; M904-F947 HydrophobicContact SD-CD2 3.49Å; M904-F947 WeakPolarHBondContact SD-CD2 3.39Å; M904-F947 HydrophobicContact SD-CE1 4.24Å; M904-F947 HydrophobicContact SD-CE2 3.25Å; M904-F947 WeakPolarHBondContact SD-CE2 3.49Å; M904-F947 HydrophobicContact SD-CG 4.1Å; M904-F947 HydrophobicContact SD-CZ 3.68Å
905	L	81.5	Confident	80	Confident	92 Å²	92	62.7 Å²	62.7	48%	0.482	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-45.9	175.8	-71.7	170.4	0	0	0	111.4	V901 F902 S903 I908 M909	V901-L905 HydrophobicContact CG1-CD1 4.13Å; V901-L905 VanDerWaalsContact O-CG 3.3Å; V901-L905 WeakPolarHBondContact O-CG 3.3Å; V901-L905 PolarHBondContact O-N 3.26Å; F902-L905 PolarHBondContact O-N 3.02Å; S903-L905 PolarHBondContact O-N 2.96Å; L905-I908 PolarHBondContact O-N 3.06Å; L905-M909 WeakPolarHBondContact O-CB 3.47Å; L905-M909 VanDerWaalsContact O-CG 3.27Å; L905-M909 WeakPolarHBondContact O-CG 3.35Å; L905-M909 PolarHBondContact O-N 2.91Å
906	V	82.8	Confident	78.4	Confident	37 Å²	37	63.5 Å²	63.5	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-44.3	178	175.3	0	0	0	0	111.5	L822 V826 F902 S903 M904 I908 M909 K910	L822-V906 HydrophobicContact CD1-CB 3.72Å; L822-V906 HydrophobicContact CD1-CG1 3.55Å; V826-V906 HydrophobicContact CG2-CG1 4.2Å; F902-V906 HydrophobicContact CE1-CG2 4.21Å; F902-V906 HydrophobicContact CE2-CG2 4.42Å; F902-V906 HydrophobicContact CZ-CG2 4.1Å; F902-V906 WeakPolarHBondContact O-CG2 3.24Å; F902-V906 PolarHBondContact O-N 2.93Å; F902-V906 VanDerWaalsContact O-N 3.1Å; S903-V906 PolarHBondContact O-N 3.04Å; M904-V906 PolarHBondContact O-N 3.25Å; V906-I908 PolarHBondContact O-N 3.08Å; V906-M909 PolarHBondContact O-N 3.21Å; V906-K910 PolarHBondContact O-N 2.87Å
907	V	77.6	Confident	76.8	Confident	16 Å²	16	69 Å²	69	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-61.6	-44.3	177.1	172	0	0	0	0	110.6	L822 A825 S903 M904 K910 L911	L822-V907 HydrophobicContact CB-CG2 4.43Å; L822-V907 HydrophobicContact CD1-CG2 4.27Å; A825-V907 HydrophobicContact CB-CB 4.45Å; A825-V907 HydrophobicContact CB-CG1 4.45Å; A825-V907 HydrophobicContact CB-CG2 3.92Å; S903-V907 VanDerWaalsContact O-CG2 3.3Å; S903-V907 WeakPolarHBondContact O-CG2 3.42Å; S903-V907 PolarHBondContact O-N 3.19Å; M904-V907 PolarHBondContact O-N 3.42Å; V907-K910 PolarHBondContact O-N 3.4Å; V907-L911 HydrophobicContact CG1-CD1 3.74Å; V907-L911 HydrophobicContact CG1-CG 4.24Å; V907-L911 WeakPolarHBondContact O-CB 3.28Å; V907-L911 VanDerWaalsContact O-CG 3.26Å; V907-L911 WeakPolarHBondContact O-CG 3.35Å; V907-L911 PolarHBondContact O-N 3.41Å
908	I	74.5	Confident	75.2	Confident	47 Å²	47	72.8 Å²	72.8	24%	0.241	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-48.2	176.6	-70.1	164.7	0	0	0	110.5	M904 L905 V906 K910 L911 V912 I940	M904-I908 HydrophobicContact CE-CD1 4.42Å; M904-I908 WeakPolarHBondContact O-CB 3.33Å; M904-I908 WeakPolarHBondContact O-CD1 3.36Å; M904-I908 WeakPolarHBondContact O-CG1 3.49Å; M904-I908 PolarHBondContact O-N 3.05Å; L905-I908 PolarHBondContact O-N 3.06Å; V906-I908 PolarHBondContact O-N 3.08Å; I908-K910 VanDerWaalsContact C-N 3.27Å; I908-K910 PolarHBondContact O-N 3.44Å; I908-L911 PolarHBondContact O-N 3.22Å; I908-V912 HydrophobicContact CG2-CG2 4.19Å; I908-V912 WeakPolarHBondContact O-CB 3.03Å; I908-V912 VanDerWaalsContact O-CG2 3.3Å; I908-V912 WeakPolarHBondContact O-CG2 3.47Å; I908-V912 PolarHBondContact O-N 3.05Å; I908-I940 HydrophobicContact CD1-CD1 4.14Å; I908-I940 HydrophobicContact CD1-CG1 4.12Å; I908-I940 HydrophobicContact CG1-CD1 4.48Å
909	M	78	Confident	73.4	Confident	131 Å²	131	69.6 Å²	69.6	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-56.7	-42.4	177.9	-74.2	178.9	-177.8	0	0	111.5	L905 V906 S913	L905-M909 WeakPolarHBondContact O-CB 3.47Å; L905-M909 VanDerWaalsContact O-CG 3.27Å; L905-M909 WeakPolarHBondContact O-CG 3.35Å; L905-M909 PolarHBondContact O-N 2.91Å; V906-M909 PolarHBondContact O-N 3.21Å; M909-S913 WeakPolarHBondContact O-CB 3.29Å; M909-S913 PolarHBondContact O-N 2.96Å; M909-S913 PolarHBondContact O-OG 3.13Å
910	K	76.4	Confident	71.6	Confident	107 Å²	107	74.4 Å²	74.4	47%	0.465	38%	0.378	S	S	.	.	H	α-helix	trans	-71.2	-37.5	177.3	-76	-67.6	-175	-178.1	0	113.8	A825 V906 V907 I908 S913 H914	A825-K910 HydrophobicContact CB-CB 4.48Å; V906-K910 PolarHBondContact O-N 2.87Å; V907-K910 PolarHBondContact O-N 3.4Å; I908-K910 VanDerWaalsContact C-N 3.27Å; I908-K910 PolarHBondContact O-N 3.44Å; K910-S913 WeakPolarHBondContact CA-OG 3.32Å; K910-S913 PolarHBondContact O-OG 3.28Å; K910-H914 VanDerWaalsContact O-CB 3.29Å; K910-H914 WeakPolarHBondContact O-CB 3.06Å; K910-H914 PolarHBondContact O-N 3.25Å
911	L	70.1	Confident	70	Confident	94 Å²	94	83.5 Å²	83.5	49%	0.492	42%	0.418	S	S	.	.	H	α-helix	trans	-67.9	-42.3	176.3	-74.5	172	0	0	0	111.4	V907 I908 H915	V907-L911 HydrophobicContact CG1-CD1 3.74Å; V907-L911 HydrophobicContact CG1-CG 4.24Å; V907-L911 WeakPolarHBondContact O-CB 3.28Å; V907-L911 VanDerWaalsContact O-CG 3.26Å; V907-L911 WeakPolarHBondContact O-CG 3.35Å; V907-L911 PolarHBondContact O-N 3.41Å; I908-L911 PolarHBondContact O-N 3.22Å; L911-H915 WeakPolarHBondContact O-CB 3.32Å; L911-H915 PolarHBondContact O-CD2 3.38Å; L911-H915 VanDerWaalsContact O-CD2 3.32Å; L911-H915 PolarHBondContact O-N 3.3Å
912	V	69.1	Low	68.5	Low	78 Å²	78	84.9 Å²	84.9	47%	0.473	43%	0.426	S	S	.	.	H	α-helix	trans	-64.9	-44.4	175.5	173.6	0	0	0	0	110.4	I908 H914 H915 S916	I908-V912 HydrophobicContact CG2-CG2 4.19Å; I908-V912 WeakPolarHBondContact O-CB 3.03Å; I908-V912 VanDerWaalsContact O-CG2 3.3Å; I908-V912 WeakPolarHBondContact O-CG2 3.47Å; I908-V912 PolarHBondContact O-N 3.05Å; V912-H914 PolarHBondContact O-N 3.36Å; V912-H915 PolarHBondContact O-N 3.31Å; V912-S916 PolarHBondContact O-N 2.84Å; V912-S916 PolarHBondContact O-OG 2.98Å
913	S	69.5	Low	66.9	Low	44 Å²	44	87.6 Å²	87.6	31%	0.308	45%	0.446	S	S	.	.	H	α-helix	trans	-63.7	-41.8	177.9	72.4	0	0	0	0	112.4	M909 K910 S916 E917	M909-S913 WeakPolarHBondContact O-CB 3.29Å; M909-S913 PolarHBondContact O-N 2.96Å; M909-S913 PolarHBondContact O-OG 3.13Å; K910-S913 WeakPolarHBondContact CA-OG 3.32Å; K910-S913 PolarHBondContact O-OG 3.28Å; S913-S916 VanDerWaalsContact CA-OG 3.32Å; S913-S916 WeakPolarHBondContact CA-OG 3.18Å; S913-S916 PolarHBondContact O-N 3.07Å; S913-S916 PolarHBondContact O-OG 3.28Å; S913-E917 WeakPolarHBondContact O-CG 3.49Å; S913-E917 PolarHBondContact O-N 3.41Å
914	H	64.1	Low	65.5	Low	95 Å²	95	91.8 Å²	91.8	44%	0.44	47%	0.468	S	S	.	.	H	α-helix	trans	-69.1	-37.3	179	-166.7	12.3	0	0	0	112	K910 V912 E917 I918	K910-H914 VanDerWaalsContact O-CB 3.29Å; K910-H914 WeakPolarHBondContact O-CB 3.06Å; K910-H914 PolarHBondContact O-N 3.25Å; V912-H914 PolarHBondContact O-N 3.36Å; H914-E917 PolarHBondContact O-N 3.17Å; H914-I918 VanDerWaalsContact CE1-CD1 3.47Å; H914-I918 WeakPolarHBondContact CE1-CD1 3.3Å; H914-I918 WeakPolarHBondContact O-CG1 3.5Å; H914-I918 PolarHBondContact O-N 2.88Å
915	H	61.3	Low	64.4	Low	92 Å²	92	93.7 Å²	93.7	43%	0.426	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-42.2	171.9	-92.5	-78	0	0	0	111.7	L911 V912 E917 I918 H919	L911-H915 WeakPolarHBondContact O-CB 3.32Å; L911-H915 PolarHBondContact O-CD2 3.38Å; L911-H915 VanDerWaalsContact O-CD2 3.32Å; L911-H915 PolarHBondContact O-N 3.3Å; V912-H915 PolarHBondContact O-N 3.31Å; H915-E917 VanDerWaalsContact C-N 3.33Å; H915-E917 PolarHBondContact O-N 3.42Å; H915-I918 PolarHBondContact O-N 3.44Å; H915-H919 WeakPolarHBondContact O-CB 3.21Å; H915-H919 PolarHBondContact O-CD2 2.81Å; H915-H919 PolarHBondContact O-N 3.28Å
916	S	58.5	Low	63.3	Low	72 Å²	72	93.5 Å²	93.5	50%	0.503	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-37.8	175.1	54.5	0	0	0	0	112.8	V912 S913 Q920	V912-S916 PolarHBondContact O-N 2.84Å; V912-S916 PolarHBondContact O-OG 2.98Å; S913-S916 VanDerWaalsContact CA-OG 3.32Å; S913-S916 WeakPolarHBondContact CA-OG 3.18Å; S913-S916 PolarHBondContact O-N 3.07Å; S913-S916 PolarHBondContact O-OG 3.28Å; S916-Q920 PolarHBondContact O-N 2.94Å; S916-Q920 VanDerWaalsContact O-N 3.12Å
917	E	59.1	Low	62.1	Low	123 Å²	123	97.7 Å²	97.7	58%	0.575	51%	0.505	S	S	*	.	H	α-helix	trans	-71.1	-37.6	177.4	-76.5	179.2	175.1	0	0	113.5	S913 H914 H915	S913-E917 WeakPolarHBondContact O-CG 3.49Å; S913-E917 PolarHBondContact O-N 3.41Å; H914-E917 PolarHBondContact O-N 3.17Å; H915-E917 VanDerWaalsContact C-N 3.33Å; H915-E917 PolarHBondContact O-N 3.42Å
918	I	55.6	Low	61.3	Low	87 Å²	87	102.5 Å²	102.5	45%	0.446	53%	0.525	S	S	.	.	H	α-helix	trans	-69.5	-38.7	175.5	-69.8	168.3	0	0	0	110.6	H914 H915 Q920 K921	H914-I918 VanDerWaalsContact CE1-CD1 3.47Å; H914-I918 WeakPolarHBondContact CE1-CD1 3.3Å; H914-I918 WeakPolarHBondContact O-CG1 3.5Å; H914-I918 PolarHBondContact O-N 2.88Å; H915-I918 PolarHBondContact O-N 3.44Å; I918-Q920 VanDerWaalsContact C-N 3.35Å; I918-K921 PolarHBondContact O-N 2.63Å
919	H	51.8	Low	60.5	Low	85 Å²	85	106.9 Å²	106.9	39%	0.394	54%	0.544	S	S	.	.	H	α-helix	trans	-70.3	-28	179	-85.2	-73.8	0	0	0	113.1	H915 K921 T922	H915-H919 WeakPolarHBondContact O-CB 3.21Å; H915-H919 PolarHBondContact O-CD2 2.81Å; H915-H919 PolarHBondContact O-N 3.28Å; H919-K921 PolarHBondContact O-N 3.12Å; H919-T922 PolarHBondContact O-N 3.08Å; H919-T922 VanDerWaalsContact O-O 3.13Å
920	Q	51.8	Low	59.6	Low	171 Å²	171	108.5 Å²	108.5	80%	0.799	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.2	175.1	-161.1	173.8	23.3	0	0	113.6	S916 I918	S916-Q920 PolarHBondContact O-N 2.94Å; S916-Q920 VanDerWaalsContact O-N 3.12Å; I918-Q920 VanDerWaalsContact C-N 3.35Å
921	K	53	Low	58.8	Low	191 Å²	191	105.8 Å²	105.8	83%	0.83	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.4	177.3	-74	-178.1	178.4	176.5	0	114.6	I918 H919	I918-K921 PolarHBondContact O-N 2.63Å; H919-K921 PolarHBondContact O-N 3.12Å
922	T	54.4	Low	58.2	Low	75 Å²	75	102.9 Å²	102.9	46%	0.46	53%	0.534	S	S	.	.	S	Bend	trans	-140.1	106.1	-178.9	-1.3	0	0	0	0	109.8	H919 I924	H919-T922 PolarHBondContact O-N 3.08Å; H919-T922 VanDerWaalsContact O-O 3.13Å; T922-I924 HydrophobicContact CG2-CD1 4.36Å; T922-I924 PolarHBondContact O-N 2.86Å
923	D	53.1	Low	57.7	Low	177 Å²	177	101.7 Å²	101.7	95%	0.947	53%	0.533	S	S	*	.			trans	-58.6	98.1	174.6	-85.5	-36.1	0	0	0	110.8
924	I	53.2	Low	57.3	Low	91 Å²	91	107.3 Å²	107.3	47%	0.467	55%	0.552	S	S	.	*			trans	-142.4	142.6	174.8	-46.3	176.5	0	0	0	112.4	T922 K928	T922-I924 HydrophobicContact CG2-CD1 4.36Å; T922-I924 PolarHBondContact O-N 2.86Å; I924-K928 HydrophobicContact CG2-CD 3.58Å; I924-K928 HydrophobicContact CG2-CG 4.25Å
925	S	58	Low	57.1	Low	63 Å²	63	107.3 Å²	107.3	44%	0.441	56%	0.559	S	S	.	*			trans	-54.7	157.8	-167.4	70.3	0	0	0	0	119.5	E927 K928	S925-E927 PolarHBondContact O-N 3.34Å; S925-E927 VanDerWaalsContact O-N 3.09Å; S925-K928 PolarHBondContact O-N 2.92Å; S925-K928 VanDerWaalsContact O-N 3.12Å
926	P	57.8	Low	57.1	Low	88 Å²	88	105.4 Å²	105.4	57%	0.571	55%	0.553	S	S	*	*	H	α-helix	trans	-61.5	-15.7	-179.3	21.3	-34.3	0	0	0	116.2	K930	P926-K930 PolarHBondContact O-N 3.28Å
927	E	58	Low	57.1	Low	125 Å²	125	105.7 Å²	105.7	58%	0.584	55%	0.552	S	S	*	*	H	α-helix	trans	-72.6	-29.8	174.8	-70.4	-164.9	170.6	0	0	112.2	S925 A931 K1027	S925-E927 PolarHBondContact O-N 3.34Å; S925-E927 VanDerWaalsContact O-N 3.09Å; E927-A931 PolarHBondContact O-N 3.07Å; E927-K1027 IonicContact OE1-NZ 2.84Å; E927-K1027 PolarHBondContact OE1-NZ 3.32Å
928	K	59.2	Low	57.3	Low	117 Å²	117	108.4 Å²	108.4	51%	0.509	56%	0.557	S	S	.	*	H	α-helix	trans	-78.2	-28.1	175.5	-67.5	-163.7	-168	174.3	0	112.8	I924 S925 A931 A932	I924-K928 HydrophobicContact CG2-CD 3.58Å; I924-K928 HydrophobicContact CG2-CG 4.25Å; S925-K928 PolarHBondContact O-N 2.92Å; S925-K928 VanDerWaalsContact O-N 3.12Å; K928-A931 PolarHBondContact O-N 3.23Å; K928-A932 WeakPolarHBondContact O-CB 3.46Å; K928-A932 PolarHBondContact O-N 3.34Å
929	E	59.1	Low	57.5	Low	139 Å²	139	106.9 Å²	106.9	65%	0.65	55%	0.554	S	S	*	*	H	α-helix	trans	-64.6	-45.5	173.9	-167.7	-176	174.4	0	0	111.2	A931 A932 A933	E929-A931 VanDerWaalsContact C-N 3.34Å; E929-A931 PolarHBondContact O-N 2.96Å; E929-A932 PolarHBondContact O-N 2.76Å; E929-A933 VanDerWaalsContact O-CB 3.31Å; E929-A933 WeakPolarHBondContact O-CB 3.42Å; E929-A933 PolarHBondContact O-N 2.98Å
930	K	58.9	Low	58.1	Low	164 Å²	164	105.3 Å²	105.3	71%	0.713	55%	0.548	S	S	*	.	H	α-helix	trans	-63.1	-37.9	173.5	-69.3	-178.1	-179.1	-179.8	0	112.4	P926 K934	P926-K930 PolarHBondContact O-N 3.28Å; K930-K934 WeakPolarHBondContact O-CB 3.45Å; K930-K934 PolarHBondContact O-N 3.45Å
931	A	60.1	Low	58.7	Low	51 Å²	51	102.7 Å²	102.7	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-70.8	-38.2	177.8	0	0	0	0	0	112.8	E927 K928 E929 T935	E927-A931 PolarHBondContact O-N 3.07Å; K928-A931 PolarHBondContact O-N 3.23Å; E929-A931 VanDerWaalsContact C-N 3.34Å; E929-A931 PolarHBondContact O-N 2.96Å; A931-T935 WeakPolarHBondContact O-CB 3.3Å; A931-T935 PolarHBondContact O-N 3.23Å; A931-T935 PolarHBondContact O-OG1 3.24Å
932	A	57.7	Low	59.1	Low	32 Å²	32	96 Å²	96	26%	0.264	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-49.5	174.6	0	0	0	0	0	111.1	K928 E929 K934 T935 V936	K928-A932 WeakPolarHBondContact O-CB 3.46Å; K928-A932 PolarHBondContact O-N 3.34Å; E929-A932 PolarHBondContact O-N 2.76Å; A932-K934 VanDerWaalsContact C-N 3.34Å; A932-K934 PolarHBondContact O-N 3.4Å; A932-T935 PolarHBondContact O-N 3.04Å; A932-T935 VanDerWaalsContact O-N 3.1Å; A932-V936 WeakPolarHBondContact O-CG2 3.31Å; A932-V936 PolarHBondContact O-N 2.9Å
933	A	58	Low	59.7	Low	53 Å²	53	95.1 Å²	95.1	44%	0.438	50%	0.503	S	S	.	.	H	α-helix	trans	-58.9	-43.5	174.8	0	0	0	0	0	111.9	E929 T935 V936 V937	E929-A933 VanDerWaalsContact O-CB 3.31Å; E929-A933 WeakPolarHBondContact O-CB 3.42Å; E929-A933 PolarHBondContact O-N 2.98Å; A933-T935 VanDerWaalsContact C-N 3.28Å; A933-T935 PolarHBondContact O-N 3.14Å; A933-V936 PolarHBondContact O-N 2.74Å; A933-V937 WeakPolarHBondContact O-CB 3.45Å; A933-V937 VanDerWaalsContact O-CG2 3.3Å; A933-V937 WeakPolarHBondContact O-CG2 3.23Å; A933-V937 PolarHBondContact O-N 3Å
934	K	60.2	Low	60.6	Low	162 Å²	162	88.8 Å²	88.8	70%	0.704	47%	0.471	S	S	*	.	H	α-helix	trans	-60.8	-36.1	175.1	-176.4	176.8	-177.5	178.5	0	112.5	K930 A932 R938	K930-K934 WeakPolarHBondContact O-CB 3.45Å; K930-K934 PolarHBondContact O-N 3.45Å; A932-K934 VanDerWaalsContact C-N 3.34Å; A932-K934 PolarHBondContact O-N 3.4Å; K934-R938 WeakPolarHBondContact O-CB 3.39Å; K934-R938 PolarHBondContact O-N 2.92Å
935	T	60.3	Low	61.3	Low	96 Å²	96	84.9 Å²	84.9	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-72.3	-40.5	177.8	-57.6	0	0	0	0	111.4	A931 A932 A933 R938 S939	A931-T935 WeakPolarHBondContact O-CB 3.3Å; A931-T935 PolarHBondContact O-N 3.23Å; A931-T935 PolarHBondContact O-OG1 3.24Å; A932-T935 PolarHBondContact O-N 3.04Å; A932-T935 VanDerWaalsContact O-N 3.1Å; A933-T935 VanDerWaalsContact C-N 3.28Å; A933-T935 PolarHBondContact O-N 3.14Å; T935-R938 PolarHBondContact O-N 3.19Å; T935-S939 WeakPolarHBondContact O-CB 3.48Å; T935-S939 PolarHBondContact O-N 2.69Å
936	V	61.6	Low	62	Low	51 Å²	51	82 Å²	82	31%	0.309	43%	0.432	S	S	.	.	H	α-helix	trans	-64.3	-48.1	175.1	173.5	0	0	0	0	110.9	A932 A933 R938 S939 I940	A932-V936 WeakPolarHBondContact O-CG2 3.31Å; A932-V936 PolarHBondContact O-N 2.9Å; A933-V936 PolarHBondContact O-N 2.74Å; V936-R938 PolarHBondContact O-N 3.18Å; V936-S939 WeakPolarHBondContact O-CB 3.16Å; V936-S939 PolarHBondContact O-N 3.09Å; V936-I940 HydrophobicContact CG1-CD1 3.9Å; V936-I940 VanDerWaalsContact O-CG1 3.29Å; V936-I940 WeakPolarHBondContact O-CG1 3.22Å; V936-I940 PolarHBondContact O-N 3.09Å
937	V	59.5	Low	62.9	Low	79 Å²	79	78 Å²	78	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-42.5	176.8	171.5	0	0	0	0	111.7	A933 S939 I940 I941	A933-V937 WeakPolarHBondContact O-CB 3.45Å; A933-V937 VanDerWaalsContact O-CG2 3.3Å; A933-V937 WeakPolarHBondContact O-CG2 3.23Å; A933-V937 PolarHBondContact O-N 3Å; V937-S939 VanDerWaalsContact C-N 3.31Å; V937-S939 PolarHBondContact O-N 3.43Å; V937-I940 PolarHBondContact O-N 3.39Å; V937-I941 HydrophobicContact CG1-CD1 3.93Å; V937-I941 WeakPolarHBondContact O-CG1 3.04Å; V937-I941 PolarHBondContact O-N 3.06Å
938	R	63	Low	63.8	Low	179 Å²	179	72.1 Å²	72.1	68%	0.675	38%	0.378	S	S	*	.	H	α-helix	trans	-61.9	-39.1	175.5	-176.4	178.7	-179.3	176	2.1	112.1	K934 T935 V936 L942	K934-R938 WeakPolarHBondContact O-CB 3.39Å; K934-R938 PolarHBondContact O-N 2.92Å; T935-R938 PolarHBondContact O-N 3.19Å; V936-R938 PolarHBondContact O-N 3.18Å; R938-L942 HydrophobicContact CG-CD1 4.12Å; R938-L942 WeakPolarHBondContact O-CB 3.27Å; R938-L942 WeakPolarHBondContact O-CD1 3.22Å; R938-L942 VanDerWaalsContact O-CG 3.31Å; R938-L942 WeakPolarHBondContact O-CG 3.13Å; R938-L942 PolarHBondContact O-N 2.84Å
939	S	58.8	Low	64.9	Low	56 Å²	56	68.1 Å²	68.1	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-41.5	175.1	-163.4	0	0	0	0	111.3	T935 V936 V937 L942 L943	T935-S939 WeakPolarHBondContact O-CB 3.48Å; T935-S939 PolarHBondContact O-N 2.69Å; V936-S939 WeakPolarHBondContact O-CB 3.16Å; V936-S939 PolarHBondContact O-N 3.09Å; V937-S939 VanDerWaalsContact C-N 3.31Å; V937-S939 PolarHBondContact O-N 3.43Å; S939-L942 PolarHBondContact O-N 3.39Å; S939-L943 VanDerWaalsContact O-CB 3.22Å; S939-L943 WeakPolarHBondContact O-CB 3.16Å; S939-L943 WeakPolarHBondContact O-CD1 3.47Å; S939-L943 WeakPolarHBondContact O-CG 3.44Å; S939-L943 PolarHBondContact O-N 3.23Å; S939-L943 WeakPolarHBondContact OG-CD1 3.38Å
940	I	63.9	Low	66.2	Low	52 Å²	52	61.8 Å²	61.8	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-49.2	176.9	-69.9	164.4	0	0	0	111.3	I908 V936 V937 L942 L943 T944	I908-I940 HydrophobicContact CD1-CD1 4.14Å; I908-I940 HydrophobicContact CD1-CG1 4.12Å; I908-I940 HydrophobicContact CG1-CD1 4.48Å; V936-I940 HydrophobicContact CG1-CD1 3.9Å; V936-I940 VanDerWaalsContact O-CG1 3.29Å; V936-I940 WeakPolarHBondContact O-CG1 3.22Å; V936-I940 PolarHBondContact O-N 3.09Å; V937-I940 PolarHBondContact O-N 3.39Å; I940-L942 PolarHBondContact O-N 3.44Å; I940-L943 PolarHBondContact O-N 2.93Å; I940-T944 WeakPolarHBondContact O-CB 3.35Å; I940-T944 PolarHBondContact O-N 3.5Å; I940-T944 PolarHBondContact O-OG1 2.88Å
941	I	64.1	Low	67.6	Low	115 Å²	115	55.5 Å²	55.5	59%	0.59	31%	0.306	S	S	*	.	H	α-helix	trans	-58.9	-38.1	179.8	-68.4	167.4	0	0	0	111	V937 P945	V937-I941 HydrophobicContact CG1-CD1 3.93Å; V937-I941 WeakPolarHBondContact O-CG1 3.04Å; V937-I941 PolarHBondContact O-N 3.06Å; I941-P945 WeakPolarHBondContact O-CD 3.36Å
942	L	63.3	Low	68.8	Low	52 Å²	52	57.5 Å²	57.5	27%	0.272	31%	0.309	S	S	.	.	H	α-helix	trans	-81.7	-30.2	-178.3	-73	173	0	0	0	113.6	R938 S939 I940 P945 T989	R938-L942 HydrophobicContact CG-CD1 4.12Å; R938-L942 WeakPolarHBondContact O-CB 3.27Å; R938-L942 WeakPolarHBondContact O-CD1 3.22Å; R938-L942 VanDerWaalsContact O-CG 3.31Å; R938-L942 WeakPolarHBondContact O-CG 3.13Å; R938-L942 PolarHBondContact O-N 2.84Å; S939-L942 PolarHBondContact O-N 3.39Å; I940-L942 PolarHBondContact O-N 3.44Å; L942-P945 WeakPolarHBondContact O-CD 3.26Å; L942-T989 HydrophobicContact CB-CG2 3.6Å; L942-T989 WeakPolarHBondContact O-CG2 3.41Å
943	L	66.9	Low	70.2	Confident	55 Å²	55	58.9 Å²	58.9	29%	0.288	31%	0.309	S	S	.	.	H	α-helix	trans	-82.3	-25.6	178.9	-73.8	170.3	0	0	0	113	M904 S939 I940 I946 F947	M904-L943 HydrophobicContact CE-CB 4.38Å; S939-L943 VanDerWaalsContact O-CB 3.22Å; S939-L943 WeakPolarHBondContact O-CB 3.16Å; S939-L943 WeakPolarHBondContact O-CD1 3.47Å; S939-L943 WeakPolarHBondContact O-CG 3.44Å; S939-L943 PolarHBondContact O-N 3.23Å; S939-L943 WeakPolarHBondContact OG-CD1 3.38Å; I940-L943 PolarHBondContact O-N 2.93Å; L943-I946 HydrophobicContact CD2-CD1 3.99Å; L943-I946 WeakPolarHBondContact O-CB 3.35Å; L943-I946 PolarHBondContact O-N 3.5Å; L943-F947 HydrophobicContact CB-CD2 4.28Å; L943-F947 HydrophobicContact CB-CE2 4.02Å; L943-F947 HydrophobicContact CD2-CE2 4.22Å; L943-F947 VanDerWaalsContact O-CD2 3.23Å; L943-F947 WeakPolarHBondContact O-CD2 3.49Å; L943-F947 PolarHBondContact O-N 2.89Å
944	T	71.7	Confident	71.5	Confident	45 Å²	45	56.7 Å²	56.7	28%	0.276	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-43.7	-177.5	-63.8	0	0	0	0	113.5	I940 I946 V949	I940-T944 WeakPolarHBondContact O-CB 3.35Å; I940-T944 PolarHBondContact O-N 3.5Å; I940-T944 PolarHBondContact O-OG1 2.88Å; T944-I946 VanDerWaalsContact C-N 3.31Å; T944-I946 PolarHBondContact O-N 3.5Å; T944-V949 HydrophobicContact CG2-CB 3.7Å; T944-V949 HydrophobicContact CG2-CG1 3.93Å; T944-V949 HydrophobicContact CG2-CG2 4.27Å; T944-V949 PolarHBondContact O-N 3.49Å
945	P	67.9	Low	72.6	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.058	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.4	175.5	-21.6	34.3	0	0	0	114.7	I941 L942 T950 F985	I941-P945 WeakPolarHBondContact O-CD 3.36Å; L942-P945 WeakPolarHBondContact O-CD 3.26Å; P945-T950 HydrophobicContact CB-CG2 4.1Å; P945-T950 HydrophobicContact CG-CG2 4.34Å; P945-F985 HydrophobicContact CB-CB 4.1Å; P945-F985 HydrophobicContact CB-CD2 3.53Å; P945-F985 HydrophobicContact CB-CE2 4.28Å; P945-F985 HydrophobicContact CB-CG 4.09Å; P945-F985 HydrophobicContact CG-CB 4.35Å; P945-F985 HydrophobicContact CG-CD2 3.7Å; P945-F985 HydrophobicContact CG-CE2 4.19Å; P945-F985 HydrophobicContact CG-CG 4.07Å
946	I	71.8	Confident	73.8	Confident	3 Å²	3	48 Å²	48	2%	0.015	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-38.2	-177.5	-53.1	174.8	0	0	0	110.8	T814 L943 T944 G948 I986 T989	T814-I946 VanDerWaalsContact CG2-O 3.3Å; T814-I946 WeakPolarHBondContact CG2-O 3.32Å; L943-I946 HydrophobicContact CD2-CD1 3.99Å; L943-I946 WeakPolarHBondContact O-CB 3.35Å; L943-I946 PolarHBondContact O-N 3.5Å; T944-I946 VanDerWaalsContact C-N 3.31Å; T944-I946 PolarHBondContact O-N 3.5Å; I946-G948 PolarHBondContact O-N 3.38Å; I946-I986 HydrophobicContact CG1-CG1 4.25Å; I946-T989 HydrophobicContact CD1-CG2 3.74Å; I946-T989 WeakPolarHBondContact CD1-OG1 3.38Å
947	F	76.9	Confident	74.9	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.018	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.2	-178.9	-69.8	-68.2	0	0	0	114.4	T814 L817 L821 N900 M904 L943 V949	T814-F947 HydrophobicContact CG2-CD1 4.25Å; L817-F947 HydrophobicContact CD2-CE1 4.43Å; L817-F947 HydrophobicContact CG-CE1 4.34Å; L821-F947 HydrophobicContact CD1-CE1 3.97Å; L821-F947 HydrophobicContact CD1-CZ 3.51Å; N900-F947 PolarHBondContact ND2-O 3.25Å; M904-F947 HydrophobicContact CE-CD2 3.72Å; M904-F947 HydrophobicContact CE-CE2 3.65Å; M904-F947 HydrophobicContact CG-CB 4.46Å; M904-F947 HydrophobicContact CG-CD1 4.41Å; M904-F947 HydrophobicContact CG-CD2 3.86Å; M904-F947 HydrophobicContact CG-CE2 4.22Å; M904-F947 HydrophobicContact CG-CG 3.98Å; M904-F947 HydrophobicContact SD-CD1 4.43Å; M904-F947 HydrophobicContact SD-CD2 3.49Å; M904-F947 WeakPolarHBondContact SD-CD2 3.39Å; M904-F947 HydrophobicContact SD-CE1 4.24Å; M904-F947 HydrophobicContact SD-CE2 3.25Å; M904-F947 WeakPolarHBondContact SD-CE2 3.49Å; M904-F947 HydrophobicContact SD-CG 4.1Å; M904-F947 HydrophobicContact SD-CZ 3.68Å; L943-F947 HydrophobicContact CB-CD2 4.28Å; L943-F947 HydrophobicContact CB-CE2 4.02Å; L943-F947 HydrophobicContact CD2-CE2 4.22Å; L943-F947 VanDerWaalsContact O-CD2 3.23Å; L943-F947 WeakPolarHBondContact O-CD2 3.49Å; L943-F947 PolarHBondContact O-N 2.89Å; F947-V949 HydrophobicContact CB-CG2 4.28Å
948	G	77.8	Confident	75.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.01	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	14.3	178	0	0	0	0	0	114.4	V897 I946 T950 W951	V897-G948 WeakPolarHBondContact CG2-O 3.32Å; I946-G948 PolarHBondContact O-N 3.38Å; G948-T950 PolarHBondContact O-N 3.3Å; G948-W951 WeakPolarHBondContact O-CB 3.33Å; G948-W951 PolarHBondContact O-N 3.2Å; G948-W951 VanDerWaalsContact O-N 3.14Å
949	V	81.3	Confident	76.6	Confident	32 Å²	32	42.9 Å²	42.9	19%	0.194	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-65.1	-26.3	-179.9	-177.3	0	0	0	0	111.9	V901 T944 F947 W951 I952	V901-V949 HydrophobicContact CG2-CG1 4.24Å; V901-V949 HydrophobicContact CG2-CG2 3.85Å; T944-V949 HydrophobicContact CG2-CB 3.7Å; T944-V949 HydrophobicContact CG2-CG1 3.93Å; T944-V949 HydrophobicContact CG2-CG2 4.27Å; T944-V949 PolarHBondContact O-N 3.49Å; F947-V949 HydrophobicContact CB-CG2 4.28Å; V949-W951 PolarHBondContact O-N 2.94Å; V949-W951 VanDerWaalsContact O-N 3.07Å; V949-I952 HydrophobicContact CG1-CD1 3.82Å; V949-I952 WeakPolarHBondContact O-CB 3.47Å; V949-I952 VanDerWaalsContact O-CG1 3.31Å; V949-I952 WeakPolarHBondContact O-CG1 3.44Å; V949-I952 PolarHBondContact O-N 3.43Å; V949-I952 VanDerWaalsContact O-N 3.09Å
950	T	86.6	Confident	77.6	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.037	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.8	-17.2	174.8	52.5	0	0	0	0	113.3	P945 G948 I952 F953 L978 N979	P945-T950 HydrophobicContact CB-CG2 4.1Å; P945-T950 HydrophobicContact CG-CG2 4.34Å; G948-T950 PolarHBondContact O-N 3.3Å; T950-I952 PolarHBondContact O-N 3.37Å; T950-F953 PolarHBondContact O-N 3.1Å; T950-L978 HydrophobicContact CG2-CB 3.8Å; T950-L978 HydrophobicContact CG2-CD1 4.06Å; T950-L978 HydrophobicContact CG2-CG 4.38Å; T950-N979 PolarHBondContact OG1-OD1 3.3Å
951	W	88.1	Confident	78.5	Confident	32 Å²	32	42.7 Å²	42.7	12%	0.121	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-72.5	-11.2	175.6	-78.9	73.7	0	0	0	114.2	F811 F889 I890 V893 V897 G948 V949 F953 G954 F955 F975 N979	F811-W951 HydrophobicContact CE1-CG 4.29Å; F811-W951 HydrophobicContact CE2-CD2 4.24Å; F811-W951 AromaticContact CE2-CE2 3.79Å; F811-W951 HydrophobicContact CE2-CH2 4.49Å; F811-W951 AromaticContact CE2-CZ2 3.92Å; F811-W951 HydrophobicContact CE2-CZ2 3.92Å; F811-W951 AromaticContact CZ-CD1 3.46Å; F811-W951 VanDerWaalsContact CZ-CD1 3.46Å; F811-W951 AromaticContact CZ-CD2 3.62Å; F811-W951 HydrophobicContact CZ-CD2 3.62Å; F811-W951 AromaticContact CZ-CE2 3.4Å; F811-W951 VanDerWaalsContact CZ-CE2 3.4Å; F811-W951 HydrophobicContact CZ-CE3 4.43Å; F811-W951 AromaticContact CZ-CG 3.65Å; F811-W951 HydrophobicContact CZ-CG 3.65Å; F811-W951 HydrophobicContact CZ-CZ2 4.02Å; F811-W951 AromaticContact CZ-NE1 3.31Å; F811-W951 VanDerWaalsContact CZ-NE1 3.31Å; F889-W951 AromaticContact CE1-CH2 3.67Å; F889-W951 HydrophobicContact CE1-CH2 3.67Å; F889-W951 AromaticContact CE1-CZ3 3.72Å; F889-W951 HydrophobicContact CE1-CZ3 3.72Å; F889-W951 AromaticContact CZ-CH2 3.76Å; F889-W951 HydrophobicContact CZ-CH2 3.76Å; F889-W951 HydrophobicContact CZ-CZ2 4.41Å; F889-W951 HydrophobicContact CZ-CZ3 4.2Å; I890-W951 HydrophobicContact CD1-CE3 4.34Å; I890-W951 HydrophobicContact CD1-CZ3 4.31Å; V893-W951 HydrophobicContact CG1-CD2 4.49Å; V893-W951 HydrophobicContact CG1-CE3 4.35Å; V897-W951 HydrophobicContact CG2-CB 4.32Å; G948-W951 WeakPolarHBondContact O-CB 3.33Å; G948-W951 PolarHBondContact O-N 3.2Å; G948-W951 VanDerWaalsContact O-N 3.14Å; V949-W951 PolarHBondContact O-N 2.94Å; V949-W951 VanDerWaalsContact O-N 3.07Å; W951-F953 PolarHBondContact O-N 3.44Å; W951-G954 CarbonylContact O-C 3.58Å; W951-G954 VanDerWaalsContact O-CA 3.3Å; W951-G954 WeakPolarHBondContact O-CA 3.17Å; W951-G954 PolarHBondContact O-N 3.45Å; W951-F955 WeakPolarHBondContact O-CD2 3.46Å; W951-F955 PolarHBondContact O-N 3.44Å; W951-F975 HydrophobicContact CD2-CE2 4.03Å; W951-F975 HydrophobicContact CD2-CZ 4.36Å; W951-F975 HydrophobicContact CE3-CE2 4.01Å; W951-F975 HydrophobicContact CE3-CZ 4.13Å; W951-F975 HydrophobicContact CG-CE2 4.44Å; W951-F975 HydrophobicContact CH2-CZ 4.17Å; W951-F975 HydrophobicContact CZ2-CZ 4.38Å; W951-F975 HydrophobicContact CZ3-CE2 4.37Å; W951-F975 HydrophobicContact CZ3-CZ 4.02Å; W951-N979 PolarHBondContact NE1-OD1 3.38Å
952	I	85.3	Confident	79.4	Confident	94 Å²	94	37.9 Å²	37.9	48%	0.482	19%	0.194	S	C	.	.	H	α-helix	trans	-53.5	-38.5	168	-67.7	170.6	0	0	0	110.5	V949 T950 G954 F955 A956	V949-I952 HydrophobicContact CG1-CD1 3.82Å; V949-I952 WeakPolarHBondContact O-CB 3.47Å; V949-I952 VanDerWaalsContact O-CG1 3.31Å; V949-I952 WeakPolarHBondContact O-CG1 3.44Å; V949-I952 PolarHBondContact O-N 3.43Å; V949-I952 VanDerWaalsContact O-N 3.09Å; T950-I952 PolarHBondContact O-N 3.37Å; I952-G954 VanDerWaalsContact C-N 3.32Å; I952-G954 PolarHBondContact O-N 2.97Å; I952-F955 PolarHBondContact O-N 2.96Å; I952-A956 PolarHBondContact O-N 2.89Å
953	F	87.5	Confident	80.3	Confident	61 Å²	61	36.4 Å²	36.4	27%	0.268	19%	0.187	S	C	.	.	H	α-helix	trans	-68.5	-30.1	174.2	-61.7	-70.4	0	0	0	112.7	T950 W951 A956 I957 F971 I974 F975 L978	T950-F953 PolarHBondContact O-N 3.1Å; W951-F953 PolarHBondContact O-N 3.44Å; F953-A956 WeakPolarHBondContact O-CB 3.34Å; F953-A956 PolarHBondContact O-N 3.49Å; F953-I957 WeakPolarHBondContact O-CD1 3.3Å; F953-I957 VanDerWaalsContact O-CG1 3.28Å; F953-I957 WeakPolarHBondContact O-CG1 3.46Å; F953-I957 PolarHBondContact O-N 3.05Å; F953-F971 AromaticContact CD1-CD1 3.95Å; F953-F971 HydrophobicContact CD1-CD1 3.95Å; F953-F971 HydrophobicContact CD1-CE1 4.49Å; F953-F971 HydrophobicContact CE1-CD1 4.42Å; F953-I974 HydrophobicContact CD1-CG2 3.91Å; F953-I974 HydrophobicContact CD2-CG2 3.66Å; F953-I974 HydrophobicContact CE1-CG2 3.89Å; F953-I974 HydrophobicContact CE2-CG2 3.64Å; F953-I974 HydrophobicContact CG-CG2 3.8Å; F953-I974 HydrophobicContact CZ-CG2 3.75Å; F953-F975 HydrophobicContact CB-CB 3.91Å; F953-F975 HydrophobicContact CB-CD2 4.19Å; F953-L978 HydrophobicContact CD2-CD1 3.88Å; F953-L978 HydrophobicContact CE2-CD1 3.71Å
954	G	84.8	Confident	81.1	Confident	7 Å²	7	36.7 Å²	36.7	7%	0.072	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-40	171.6	0	0	0	0	0	112.2	W951 I952 I957 L958 F975	W951-G954 CarbonylContact O-C 3.58Å; W951-G954 VanDerWaalsContact O-CA 3.3Å; W951-G954 WeakPolarHBondContact O-CA 3.17Å; W951-G954 PolarHBondContact O-N 3.45Å; I952-G954 VanDerWaalsContact C-N 3.32Å; I952-G954 PolarHBondContact O-N 2.97Å; G954-I957 PolarHBondContact O-N 3.1Å; G954-L958 WeakPolarHBondContact O-CG 3.42Å; G954-L958 PolarHBondContact O-N 2.91Å; G954-L958 VanDerWaalsContact O-N 3.14Å; G954-F975 VanDerWaalsContact CA-CD2 3.42Å; G954-F975 VanDerWaalsContact CA-CE2 3.4Å
955	F	84.8	Confident	81.5	Confident	61 Å²	61	35.6 Å²	35.6	27%	0.268	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-38.2	170.5	-70.8	-77	0	0	0	112	I890 W951 I952 L958 I959	I890-F955 HydrophobicContact CD1-CD1 4.49Å; I890-F955 HydrophobicContact CD1-CE1 3.85Å; I890-F955 HydrophobicContact CD1-CE2 4.46Å; I890-F955 HydrophobicContact CD1-CZ 3.78Å; I890-F955 HydrophobicContact CG1-CD1 4.24Å; I890-F955 HydrophobicContact CG1-CE1 3.5Å; I890-F955 HydrophobicContact CG1-CZ 3.87Å; W951-F955 WeakPolarHBondContact O-CD2 3.46Å; W951-F955 PolarHBondContact O-N 3.44Å; I952-F955 PolarHBondContact O-N 2.96Å; F955-L958 PolarHBondContact O-N 3.2Å; F955-L958 VanDerWaalsContact O-N 3.17Å; F955-I959 WeakPolarHBondContact O-CG1 3.45Å; F955-I959 PolarHBondContact O-N 3.44Å; F955-I959 VanDerWaalsContact O-N 3.15Å
956	A	84.3	Confident	82.2	Confident	14 Å²	14	40.4 Å²	40.4	12%	0.116	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-44.5	174.1	0	0	0	0	0	111.4	I952 F953 L958 I959 F960 F971	I952-A956 PolarHBondContact O-N 2.89Å; F953-A956 WeakPolarHBondContact O-CB 3.34Å; F953-A956 PolarHBondContact O-N 3.49Å; A956-L958 PolarHBondContact O-N 3.43Å; A956-I959 PolarHBondContact O-N 3.1Å; A956-F960 HydrophobicContact CB-CD2 4.34Å; A956-F960 VanDerWaalsContact O-CD2 3.24Å; A956-F960 WeakPolarHBondContact O-CD2 3.3Å; A956-F960 PolarHBondContact O-N 2.91Å; A956-F971 HydrophobicContact CB-CD1 4.33Å; A956-F971 HydrophobicContact CB-CD2 4.33Å; A956-F971 HydrophobicContact CB-CG 4.2Å
957	I	84.1	Confident	82.7	Confident	26 Å²	26	43.1 Å²	43.1	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-36.3	173.8	-71.1	158.4	0	0	0	112	R671 F953 G954 I959 F971 E972 F975	R671-I957 PolarHBondContact NH2-O 3.23Å; F953-I957 WeakPolarHBondContact O-CD1 3.3Å; F953-I957 VanDerWaalsContact O-CG1 3.28Å; F953-I957 WeakPolarHBondContact O-CG1 3.46Å; F953-I957 PolarHBondContact O-N 3.05Å; G954-I957 PolarHBondContact O-N 3.1Å; I957-I959 VanDerWaalsContact C-N 3.27Å; I957-I959 PolarHBondContact O-N 3.28Å; I957-F971 HydrophobicContact CG1-CB 4.11Å; I957-E972 HydrophobicContact CD1-CG 4.23Å; I957-E972 WeakPolarHBondContact CD1-OE2 3.17Å; I957-E972 HydrophobicContact CG1-CG 4.05Å; I957-E972 WeakPolarHBondContact CG2-OE1 3.24Å; I957-F975 HydrophobicContact CD1-CB 3.33Å; I957-F975 HydrophobicContact CD1-CD1 3.62Å; I957-F975 HydrophobicContact CD1-CD2 4.3Å; I957-F975 HydrophobicContact CD1-CG 3.49Å; I957-F975 VanDerWaalsContact CD1-CG 3.49Å
958	L	78.6	Confident	83.2	Confident	44 Å²	44	43.1 Å²	43.1	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-73.8	-15.9	175.8	-66.9	168.5	0	0	0	113.6	R671 Y878 F886 I890 G954 F955 A956	R671-L958 VanDerWaalsContact CZ-O 3.25Å; R671-L958 PolarHBondContact NH1-O 3.18Å; R671-L958 PolarHBondContact NH2-O 3.48Å; Y878-L958 HydrophobicContact CE2-CD2 4.3Å; F886-L958 HydrophobicContact CD1-CD2 4.38Å; F886-L958 HydrophobicContact CE1-CD1 3.58Å; F886-L958 HydrophobicContact CE1-CD2 3.59Å; F886-L958 HydrophobicContact CE1-CG 4.21Å; F886-L958 HydrophobicContact CZ-CD1 4.06Å; F886-L958 HydrophobicContact CZ-CD2 4.06Å; I890-L958 HydrophobicContact CD1-CD1 4.02Å; I890-L958 HydrophobicContact CG1-CD1 3.72Å; G954-L958 WeakPolarHBondContact O-CG 3.42Å; G954-L958 PolarHBondContact O-N 2.91Å; G954-L958 VanDerWaalsContact O-N 3.14Å; F955-L958 PolarHBondContact O-N 3.2Å; F955-L958 VanDerWaalsContact O-N 3.17Å; A956-L958 PolarHBondContact O-N 3.43Å
959	I	80	Confident	83.6	Confident	131 Å²	131	46.2 Å²	46.2	67%	0.672	26%	0.258	S	S	*	.	H	α-helix	trans	-95.5	-42	177.3	-66.4	165.5	0	0	0	110.9	F955 A956 I957	F955-I959 WeakPolarHBondContact O-CG1 3.45Å; F955-I959 PolarHBondContact O-N 3.44Å; F955-I959 VanDerWaalsContact O-N 3.15Å; A956-I959 PolarHBondContact O-N 3.1Å; I957-I959 VanDerWaalsContact C-N 3.27Å; I957-I959 PolarHBondContact O-N 3.28Å
960	F	80.9	Confident	83.9	Confident	91 Å²	91	46.8 Å²	46.8	40%	0.399	27%	0.266	S	S	.	.	S	Bend	trans	-90.1	133.3	-177.9	-67.2	-76.5	0	0	0	111.8	R671 A956 A968 F971	R671-F960 PolarHBondContact NH2-O 2.74Å; A956-F960 HydrophobicContact CB-CD2 4.34Å; A956-F960 VanDerWaalsContact O-CD2 3.24Å; A956-F960 WeakPolarHBondContact O-CD2 3.3Å; A956-F960 PolarHBondContact O-N 2.91Å; F960-A968 HydrophobicContact CB-CB 4.44Å; F960-F971 AromaticContact CD2-CD2 3.83Å; F960-F971 HydrophobicContact CD2-CD2 3.83Å; F960-F971 AromaticContact CD2-CE2 3.56Å; F960-F971 HydrophobicContact CD2-CE2 3.56Å; F960-F971 HydrophobicContact CE2-CD2 4.35Å; F960-F971 AromaticContact CE2-CE2 3.65Å; F960-F971 HydrophobicContact CE2-CE2 3.65Å; F960-F971 HydrophobicContact CE2-CZ 4.28Å; F960-F971 HydrophobicContact CG-CD2 4.35Å; F960-F971 HydrophobicContact CG-CE2 4.2Å; F960-F971 HydrophobicContact CZ-CE2 4.32Å
961	D	82.2	Confident	84	Confident	14 Å²	14	49 Å²	49	8%	0.075	28%	0.276	C	S	.	.			trans	-78	142.5	171.9	-164.7	-48.3	0	0	0	109.2	R669 N672 P697 T963 S964 A968	R669-D961 IonicContact CZ-OD2 3.76Å; R669-D961 VanDerWaalsContact CZ-OD2 3.26Å; R669-D961 IonicContact NH1-OD1 3.3Å; R669-D961 IonicContact NH1-OD2 3.69Å; R669-D961 PolarHBondContact NH1-OD2 3.21Å; R669-D961 IonicContact NH2-OD2 3.33Å; R669-D961 PolarHBondContact NH2-OD2 2.96Å; N672-D961 VanDerWaalsContact CA-OD1 3.24Å; N672-D961 WeakPolarHBondContact CA-OD1 3Å; N672-D961 PolarHBondContact N-OD1 2.65Å; N672-D961 PolarHBondContact N-OD2 3.13Å; N672-D961 PolarHBondContact OD1-OD1 3.4Å; P697-D961 HydrophobicContact CB-CB 4.12Å; P697-D961 HydrophobicContact CG-CB 4.1Å; D961-T963 VanDerWaalsContact CG-OG1 3.31Å; D961-T963 PolarHBondContact O-N 3.48Å; D961-T963 VanDerWaalsContact O-N 3.16Å; D961-T963 PolarHBondContact OD1-N 3.43Å; D961-T963 PolarHBondContact OD1-OG1 3.27Å; D961-S964 WeakPolarHBondContact O-CB 3.49Å; D961-S964 PolarHBondContact O-N 2.95Å; D961-S964 PolarHBondContact O-OG 3.33Å; D961-A968 VanDerWaalsContact O-CB 3.24Å; D961-A968 WeakPolarHBondContact O-CB 3.25Å
962	L	83.3	Confident	84	Confident	13 Å²	13	49 Å²	49	7%	0.068	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-57.4	-28.5	174.3	-89.3	92.5	0	0	0	112.1	N672 L720 V722 S964 Y969	N672-L962 HydrophobicContact CB-CB 4.09Å; N672-L962 HydrophobicContact CB-CD1 4.14Å; N672-L962 WeakPolarHBondContact ND2-CD1 3.35Å; N672-L962 WeakPolarHBondContact OD1-CD1 3.39Å; N672-L962 PolarHBondContact OD1-N 2.99Å; L720-L962 HydrophobicContact CD2-CB 4.49Å; V722-L962 HydrophobicContact CG2-CD2 3.32Å; V722-L962 HydrophobicContact CG2-CG 4.48Å; L962-S964 PolarHBondContact O-N 2.63Å; L962-Y969 HydrophobicContact CB-CE1 4.45Å; L962-Y969 HydrophobicContact CD2-CE1 4.32Å
963	T	82.8	Confident	84.3	Confident	21 Å²	21	47.8 Å²	47.8	13%	0.129	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-74.8	-6.1	176.9	65.4	0	0	0	0	113.8	Q674 W694 L720 D961 G965	Q674-T963 HydrophobicContact CB-CG2 4.34Å; W694-T963 HydrophobicContact CH2-CG2 4.46Å; W694-T963 HydrophobicContact CZ3-CG2 4.4Å; L720-T963 HydrophobicContact CD2-CG2 4.22Å; D961-T963 VanDerWaalsContact CG-OG1 3.31Å; D961-T963 PolarHBondContact O-N 3.48Å; D961-T963 VanDerWaalsContact O-N 3.16Å; D961-T963 PolarHBondContact OD1-N 3.43Å; D961-T963 PolarHBondContact OD1-OG1 3.27Å; T963-G965 PolarHBondContact O-N 3.03Å
964	S	81.9	Confident	84.4	Confident	61 Å²	61	48 Å²	48	43%	0.427	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-72.5	-3.4	175.6	-61.5	0	0	0	0	113.7	P697 D961 L962	P697-S964 VanDerWaalsContact CG-OG 3.29Å; P697-S964 WeakPolarHBondContact CG-OG 3.23Å; D961-S964 WeakPolarHBondContact O-CB 3.49Å; D961-S964 PolarHBondContact O-N 2.95Å; D961-S964 PolarHBondContact O-OG 3.33Å; L962-S964 PolarHBondContact O-N 2.63Å
965	G	80.6	Confident	84.7	Confident	22 Å²	22	49.5 Å²	49.5	23%	0.227	28%	0.275	C	S	.	.			trans	103.4	-160.1	171.1	0	0	0	0	0	114.8	T963 A967 A968	T963-G965 PolarHBondContact O-N 3.03Å; G965-A967 PolarHBondContact O-N 3.14Å; G965-A967 VanDerWaalsContact O-N 3.09Å; G965-A968 PolarHBondContact O-N 2.84Å; G965-A968 VanDerWaalsContact O-N 3.07Å
966	P	83.1	Confident	84.9	Confident	111 Å²	111	47.5 Å²	47.5	72%	0.721	27%	0.267	S	S	*	.	H	α-helix	trans	-59.4	-28.5	-167.1	-26.3	34.4	0	0	0	115.3	Y969 A970	P966-Y969 PolarHBondContact O-N 3.29Å; P966-A970 PolarHBondContact O-N 3.25Å
967	A	82.9	Confident	85.2	Confident	59 Å²	59	50.2 Å²	50.2	49%	0.488	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-39.2	177.9	0	0	0	0	0	112.2	G965 Y969 A970 F971	G965-A967 PolarHBondContact O-N 3.14Å; G965-A967 VanDerWaalsContact O-N 3.09Å; A967-Y969 VanDerWaalsContact C-N 3.35Å; A967-A970 WeakPolarHBondContact O-CB 3.45Å; A967-A970 PolarHBondContact O-N 3.28Å; A967-F971 WeakPolarHBondContact O-CD2 3.38Å; A967-F971 PolarHBondContact O-N 2.92Å; A967-F971 VanDerWaalsContact O-N 3.08Å
968	A	85.8	Confident	85.4	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-40.6	176.6	0	0	0	0	0	111.1	F960 D961 G965 A970 F971 E972	F960-A968 HydrophobicContact CB-CB 4.44Å; D961-A968 VanDerWaalsContact O-CB 3.24Å; D961-A968 WeakPolarHBondContact O-CB 3.25Å; G965-A968 PolarHBondContact O-N 2.84Å; G965-A968 VanDerWaalsContact O-N 3.07Å; A968-A970 VanDerWaalsContact C-N 3.33Å; A968-A970 PolarHBondContact O-N 3.27Å; A968-F971 PolarHBondContact O-N 3.22Å; A968-E972 PolarHBondContact O-N 3.04Å
969	Y	87.8	Confident	85.9	Confident	65 Å²	65	49.9 Å²	49.9	26%	0.255	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-41.5	174.1	-63.3	-8.9	0	0	0	111.8	L720 V722 L962 P966 A967 F971 E972 Y973	L720-Y969 HydrophobicContact CD2-CE1 4.2Å; L720-Y969 WeakPolarHBondContact CD2-OH 3.17Å; V722-Y969 HydrophobicContact CG1-CG 4.4Å; V722-Y969 HydrophobicContact CG2-CD1 3.91Å; V722-Y969 HydrophobicContact CG2-CE1 4.19Å; L962-Y969 HydrophobicContact CB-CE1 4.45Å; L962-Y969 HydrophobicContact CD2-CE1 4.32Å; P966-Y969 PolarHBondContact O-N 3.29Å; A967-Y969 VanDerWaalsContact C-N 3.35Å; Y969-F971 VanDerWaalsContact C-N 3.35Å; Y969-F971 PolarHBondContact O-N 2.98Å; Y969-E972 PolarHBondContact O-N 3.37Å; Y969-Y973 WeakPolarHBondContact O-CD2 3.31Å; Y969-Y973 PolarHBondContact O-N 3.3Å
970	A	87.5	Confident	86.5	Confident	44 Å²	44	43.9 Å²	43.9	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-60.9	-43	176.6	0	0	0	0	0	111.8	P966 A967 A968 Y973 I974	P966-A970 PolarHBondContact O-N 3.25Å; A967-A970 WeakPolarHBondContact O-CB 3.45Å; A967-A970 PolarHBondContact O-N 3.28Å; A968-A970 VanDerWaalsContact C-N 3.33Å; A968-A970 PolarHBondContact O-N 3.27Å; A970-Y973 PolarHBondContact O-N 2.98Å; A970-I974 WeakPolarHBondContact O-CB 3.38Å; A970-I974 WeakPolarHBondContact O-CD1 3.22Å; A970-I974 WeakPolarHBondContact O-CG1 3.5Å; A970-I974 PolarHBondContact O-N 2.95Å
971	F	88.9	Confident	87	Confident	53 Å²	53	42 Å²	42	23%	0.232	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-43	176.2	-65.3	-46.6	0	0	0	112.5	F953 A956 I957 F960 A967 A968 Y969 I974 F975	F953-F971 AromaticContact CD1-CD1 3.95Å; F953-F971 HydrophobicContact CD1-CD1 3.95Å; F953-F971 HydrophobicContact CD1-CE1 4.49Å; F953-F971 HydrophobicContact CE1-CD1 4.42Å; A956-F971 HydrophobicContact CB-CD1 4.33Å; A956-F971 HydrophobicContact CB-CD2 4.33Å; A956-F971 HydrophobicContact CB-CG 4.2Å; I957-F971 HydrophobicContact CG1-CB 4.11Å; F960-F971 AromaticContact CD2-CD2 3.83Å; F960-F971 HydrophobicContact CD2-CD2 3.83Å; F960-F971 AromaticContact CD2-CE2 3.56Å; F960-F971 HydrophobicContact CD2-CE2 3.56Å; F960-F971 HydrophobicContact CE2-CD2 4.35Å; F960-F971 AromaticContact CE2-CE2 3.65Å; F960-F971 HydrophobicContact CE2-CE2 3.65Å; F960-F971 HydrophobicContact CE2-CZ 4.28Å; F960-F971 HydrophobicContact CG-CD2 4.35Å; F960-F971 HydrophobicContact CG-CE2 4.2Å; F960-F971 HydrophobicContact CZ-CE2 4.32Å; A967-F971 WeakPolarHBondContact O-CD2 3.38Å; A967-F971 PolarHBondContact O-N 2.92Å; A967-F971 VanDerWaalsContact O-N 3.08Å; A968-F971 PolarHBondContact O-N 3.22Å; Y969-F971 VanDerWaalsContact C-N 3.35Å; Y969-F971 PolarHBondContact O-N 2.98Å; F971-I974 PolarHBondContact O-N 2.85Å; F971-F975 WeakPolarHBondContact O-CB 3.37Å; F971-F975 PolarHBondContact O-N 3.34Å
972	E	87.7	Confident	87.3	Confident	33 Å²	33	41.6 Å²	41.6	15%	0.154	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-46	174.8	-78.5	-70.9	-172.6	0	0	112.6	L725 I957 A968 Y969 T976	L725-E972 HydrophobicContact CD2-CB 4.08Å; I957-E972 HydrophobicContact CD1-CG 4.23Å; I957-E972 WeakPolarHBondContact CD1-OE2 3.17Å; I957-E972 HydrophobicContact CG1-CG 4.05Å; I957-E972 WeakPolarHBondContact CG2-OE1 3.24Å; A968-E972 PolarHBondContact O-N 3.04Å; Y969-E972 PolarHBondContact O-N 3.37Å; E972-T976 WeakPolarHBondContact O-CB 3.22Å; E972-T976 PolarHBondContact O-N 2.98Å; E972-T976 PolarHBondContact O-OG1 2.91Å
973	Y	90.6	Very high	87.7	Confident	67 Å²	67	41 Å²	41	26%	0.263	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-49	176.3	-86.9	-62.9	0	0	0	112.7	V722 P723 L725 V728 Y969 A970 F975 T976 I977	V722-Y973 HydrophobicContact CG1-CD2 4.25Å; V722-Y973 HydrophobicContact CG1-CE2 3.52Å; P723-Y973 PolarHBondContact O-OH 3.29Å; L725-Y973 HydrophobicContact CB-CE1 4.4Å; L725-Y973 HydrophobicContact CD1-CD1 3.58Å; L725-Y973 HydrophobicContact CD1-CE1 3.71Å; L725-Y973 HydrophobicContact CD1-CG 4.17Å; V728-Y973 HydrophobicContact CG2-CE1 4.3Å; Y969-Y973 WeakPolarHBondContact O-CD2 3.31Å; Y969-Y973 PolarHBondContact O-N 3.3Å; A970-Y973 PolarHBondContact O-N 2.98Å; Y973-F975 VanDerWaalsContact C-N 3.34Å; Y973-F975 PolarHBondContact O-N 2.99Å; Y973-T976 PolarHBondContact O-N 3.25Å; Y973-I977 WeakPolarHBondContact O-CB 3.44Å; Y973-I977 VanDerWaalsContact O-CG1 3.26Å; Y973-I977 WeakPolarHBondContact O-CG1 3.48Å; Y973-I977 PolarHBondContact O-N 3.46Å
974	I	90.3	Very high	88.1	Confident	66 Å²	66	43.3 Å²	43.3	34%	0.338	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-45.9	-179.6	-69.5	166.8	0	0	0	109.9	F953 A970 F971 I977 L978	F953-I974 HydrophobicContact CD1-CG2 3.91Å; F953-I974 HydrophobicContact CD2-CG2 3.66Å; F953-I974 HydrophobicContact CE1-CG2 3.89Å; F953-I974 HydrophobicContact CE2-CG2 3.64Å; F953-I974 HydrophobicContact CG-CG2 3.8Å; F953-I974 HydrophobicContact CZ-CG2 3.75Å; A970-I974 WeakPolarHBondContact O-CB 3.38Å; A970-I974 WeakPolarHBondContact O-CD1 3.22Å; A970-I974 WeakPolarHBondContact O-CG1 3.5Å; A970-I974 PolarHBondContact O-N 2.95Å; F971-I974 PolarHBondContact O-N 2.85Å; I974-I977 PolarHBondContact O-N 3.13Å; I974-L978 HydrophobicContact CG2-CD1 3.54Å; I974-L978 HydrophobicContact CG2-CG 4.23Å; I974-L978 VanDerWaalsContact O-CB 3.3Å; I974-L978 WeakPolarHBondContact O-CB 3.47Å; I974-L978 VanDerWaalsContact O-CG 3.24Å; I974-L978 WeakPolarHBondContact O-CG 3.3Å; I974-L978 PolarHBondContact O-N 3.07Å
975	F	90	Very high	88.4	Confident	39 Å²	39	42.4 Å²	42.4	17%	0.171	23%	0.231	C	C	.	.	H	α-helix	trans	-60.6	-48	177.5	178.3	-104.5	0	0	0	111.7	W951 F953 G954 I957 F971 Y973 N979	W951-F975 HydrophobicContact CD2-CE2 4.03Å; W951-F975 HydrophobicContact CD2-CZ 4.36Å; W951-F975 HydrophobicContact CE3-CE2 4.01Å; W951-F975 HydrophobicContact CE3-CZ 4.13Å; W951-F975 HydrophobicContact CG-CE2 4.44Å; W951-F975 HydrophobicContact CH2-CZ 4.17Å; W951-F975 HydrophobicContact CZ2-CZ 4.38Å; W951-F975 HydrophobicContact CZ3-CE2 4.37Å; W951-F975 HydrophobicContact CZ3-CZ 4.02Å; F953-F975 HydrophobicContact CB-CB 3.91Å; F953-F975 HydrophobicContact CB-CD2 4.19Å; G954-F975 VanDerWaalsContact CA-CD2 3.42Å; G954-F975 VanDerWaalsContact CA-CE2 3.4Å; I957-F975 HydrophobicContact CD1-CB 3.33Å; I957-F975 HydrophobicContact CD1-CD1 3.62Å; I957-F975 HydrophobicContact CD1-CD2 4.3Å; I957-F975 HydrophobicContact CD1-CG 3.49Å; I957-F975 VanDerWaalsContact CD1-CG 3.49Å; F971-F975 WeakPolarHBondContact O-CB 3.37Å; F971-F975 PolarHBondContact O-N 3.34Å; Y973-F975 VanDerWaalsContact C-N 3.34Å; Y973-F975 PolarHBondContact O-N 2.99Å; F975-N979 WeakPolarHBondContact CD2-ND2 3.4Å; F975-N979 WeakPolarHBondContact CE2-ND2 3.35Å; F975-N979 WeakPolarHBondContact O-CB 3.36Å; F975-N979 PolarHBondContact O-N 2.84Å; F975-N979 PolarHBondContact O-ND2 2.94Å
976	T	90.8	Very high	88.8	Confident	18 Å²	18	41.4 Å²	41.4	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-63.6	-42.7	-179	-63.3	0	0	0	0	111.8	L725 V728 T729 E972 Y973 G980	L725-T976 HydrophobicContact CD1-CG2 4.03Å; V728-T976 HydrophobicContact CG1-CG2 4.34Å; T729-T976 WeakPolarHBondContact OG1-CG2 3.33Å; E972-T976 WeakPolarHBondContact O-CB 3.22Å; E972-T976 PolarHBondContact O-N 2.98Å; E972-T976 PolarHBondContact O-OG1 2.91Å; Y973-T976 PolarHBondContact O-N 3.25Å; T976-G980 WeakPolarHBondContact O-CA 3.31Å; T976-G980 PolarHBondContact O-N 3Å
977	I	90.3	Very high	89.1	Confident	71 Å²	71	36.8 Å²	36.8	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-67.9	-51.8	178.1	-68.6	167.6	0	0	0	110.2	V728 Y973 I974 N979 F981	V728-I977 HydrophobicContact CG1-CG1 3.91Å; Y973-I977 WeakPolarHBondContact O-CB 3.44Å; Y973-I977 VanDerWaalsContact O-CG1 3.26Å; Y973-I977 WeakPolarHBondContact O-CG1 3.48Å; Y973-I977 PolarHBondContact O-N 3.46Å; I974-I977 PolarHBondContact O-N 3.13Å; I977-N979 PolarHBondContact O-N 2.98Å; I977-F981 HydrophobicContact CG2-CD2 4.06Å; I977-F981 HydrophobicContact CG2-CE2 4.41Å; I977-F981 WeakPolarHBondContact O-CB 3.25Å; I977-F981 VanDerWaalsContact O-CD2 3.31Å; I977-F981 WeakPolarHBondContact O-CD2 3.29Å; I977-F981 PolarHBondContact O-N 2.97Å
978	L	88.6	Confident	89.2	Confident	47 Å²	47	36.6 Å²	36.6	25%	0.246	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-41.2	-174.8	-69	176.1	0	0	0	112.6	T950 F953 I974 F985	T950-L978 HydrophobicContact CG2-CB 3.8Å; T950-L978 HydrophobicContact CG2-CD1 4.06Å; T950-L978 HydrophobicContact CG2-CG 4.38Å; F953-L978 HydrophobicContact CD2-CD1 3.88Å; F953-L978 HydrophobicContact CE2-CD1 3.71Å; I974-L978 HydrophobicContact CG2-CD1 3.54Å; I974-L978 HydrophobicContact CG2-CG 4.23Å; I974-L978 VanDerWaalsContact O-CB 3.3Å; I974-L978 WeakPolarHBondContact O-CB 3.47Å; I974-L978 VanDerWaalsContact O-CG 3.24Å; I974-L978 WeakPolarHBondContact O-CG 3.3Å; I974-L978 PolarHBondContact O-N 3.07Å; L978-F985 HydrophobicContact CD2-CE2 4.43Å
979	N	88.8	Confident	89	Confident	17 Å²	17	37.2 Å²	37.2	9%	0.091	18%	0.184	C	C	.	.	H	α-helix	trans	-84.8	-33.3	179.2	-64.9	-75.6	0	0	0	112.2	T950 W951 F975 I977 F981 Q982	T950-N979 PolarHBondContact OG1-OD1 3.3Å; W951-N979 PolarHBondContact NE1-OD1 3.38Å; F975-N979 WeakPolarHBondContact CD2-ND2 3.4Å; F975-N979 WeakPolarHBondContact CE2-ND2 3.35Å; F975-N979 WeakPolarHBondContact O-CB 3.36Å; F975-N979 PolarHBondContact O-N 2.84Å; F975-N979 PolarHBondContact O-ND2 2.94Å; I977-N979 PolarHBondContact O-N 2.98Å; N979-F981 VanDerWaalsContact C-N 3.31Å; N979-F981 PolarHBondContact O-N 3.18Å; N979-Q982 WeakPolarHBondContact O-CB 3.47Å; N979-Q982 PolarHBondContact O-N 3.35Å; N979-Q982 VanDerWaalsContact O-N 3.15Å
980	G	90.9	Very high	88.6	Confident	5 Å²	5	34.5 Å²	34.5	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-38.1	175.1	0	0	0	0	0	112.6	A732 S736 T976	A732-G980 CarbonylContact C-O 3.57Å; A732-G980 VanDerWaalsContact O-O 3.11Å; S736-G980 WeakPolarHBondContact CB-O 3.44Å; T976-G980 WeakPolarHBondContact O-CA 3.31Å; T976-G980 PolarHBondContact O-N 3Å
981	F	91.5	Very high	88.3	Confident	51 Å²	51	32.4 Å²	32.4	22%	0.224	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	11.6	175.5	-73.6	-75.4	0	0	0	114.2	A732 V735 I977 N979 G983 F984 F985	A732-F981 HydrophobicContact CB-CD2 3.74Å; A732-F981 HydrophobicContact CB-CE1 4.38Å; A732-F981 HydrophobicContact CB-CE2 3.53Å; A732-F981 HydrophobicContact CB-CG 4.25Å; A732-F981 HydrophobicContact CB-CZ 3.88Å; V735-F981 HydrophobicContact CB-CD1 4.26Å; V735-F981 HydrophobicContact CB-CE1 3.81Å; V735-F981 HydrophobicContact CG1-CD1 4.06Å; V735-F981 HydrophobicContact CG1-CE1 3.83Å; V735-F981 HydrophobicContact CG2-CE1 4.21Å; I977-F981 HydrophobicContact CG2-CD2 4.06Å; I977-F981 HydrophobicContact CG2-CE2 4.41Å; I977-F981 WeakPolarHBondContact O-CB 3.25Å; I977-F981 VanDerWaalsContact O-CD2 3.31Å; I977-F981 WeakPolarHBondContact O-CD2 3.29Å; I977-F981 PolarHBondContact O-N 2.97Å; N979-F981 VanDerWaalsContact C-N 3.31Å; N979-F981 PolarHBondContact O-N 3.18Å; F981-G983 VanDerWaalsContact C-N 3.29Å; F981-G983 PolarHBondContact O-N 3.37Å; F981-F984 HydrophobicContact CB-CB 4.44Å; F981-F984 HydrophobicContact CD1-CB 4.28Å; F981-F984 WeakPolarHBondContact O-CA 3.23Å; F981-F984 WeakPolarHBondContact O-CB 3.42Å; F981-F984 PolarHBondContact O-N 3.38Å; F981-F985 HydrophobicContact CB-CD2 4.48Å; F981-F985 HydrophobicContact CB-CE2 3.96Å; F981-F985 HydrophobicContact CB-CZ 4.08Å; F981-F985 WeakPolarHBondContact O-CD2 3.4Å; F981-F985 PolarHBondContact O-N 2.9Å
982	Q	89.9	Confident	87.9	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-55.3	-41.5	-175.2	-174.4	179	-8.9	0	0	112.8	L774 N979 F984 F985 I986	L774-Q982 HydrophobicContact CD2-CB 4.26Å; L774-Q982 HydrophobicContact CD2-CG 4.02Å; N979-Q982 WeakPolarHBondContact O-CB 3.47Å; N979-Q982 PolarHBondContact O-N 3.35Å; N979-Q982 VanDerWaalsContact O-N 3.15Å; Q982-F984 VanDerWaalsContact C-N 3.34Å; Q982-F984 PolarHBondContact O-N 3.5Å; Q982-F985 PolarHBondContact O-N 3.48Å; Q982-I986 HydrophobicContact CG-CD1 4.36Å; Q982-I986 WeakPolarHBondContact O-CG1 3.17Å; Q982-I986 PolarHBondContact O-N 2.86Å
983	G	91.4	Very high	87.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.5	-29.9	177	0	0	0	0	0	114.3	S736 F981 I986 L987	S736-G983 WeakPolarHBondContact OG-CA 3.46Å; S736-G983 PolarHBondContact OG-N 3.34Å; F981-G983 VanDerWaalsContact C-N 3.29Å; F981-G983 PolarHBondContact O-N 3.37Å; G983-I986 PolarHBondContact O-N 3.2Å; G983-L987 PolarHBondContact O-N 3.49Å; G983-L987 VanDerWaalsContact O-N 3.08Å
984	F	90.9	Very high	86.5	Confident	70 Å²	70	33.9 Å²	33.9	31%	0.307	18%	0.179	S	C	.	.	H	α-helix	trans	-67.1	-42.5	171.3	175.4	-108.2	0	0	0	111.3	V735 F981 Q982 I986 L987 L988	V735-F984 HydrophobicContact CG1-CB 4.48Å; V735-F984 HydrophobicContact CG1-CD2 4.47Å; F981-F984 HydrophobicContact CB-CB 4.44Å; F981-F984 HydrophobicContact CD1-CB 4.28Å; F981-F984 WeakPolarHBondContact O-CA 3.23Å; F981-F984 WeakPolarHBondContact O-CB 3.42Å; F981-F984 PolarHBondContact O-N 3.38Å; Q982-F984 VanDerWaalsContact C-N 3.34Å; Q982-F984 PolarHBondContact O-N 3.5Å; F984-I986 VanDerWaalsContact C-N 3.29Å; F984-I986 PolarHBondContact O-N 2.97Å; F984-L987 WeakPolarHBondContact O-CB 3.37Å; F984-L987 PolarHBondContact O-N 2.97Å; F984-L988 HydrophobicContact CD1-CD1 4.12Å; F984-L988 HydrophobicContact CE1-CD1 3.51Å; F984-L988 HydrophobicContact CE1-CG 4.11Å; F984-L988 HydrophobicContact CE2-CD2 4.27Å; F984-L988 HydrophobicContact CE2-CG 4.28Å; F984-L988 HydrophobicContact CZ-CD1 3.74Å; F984-L988 HydrophobicContact CZ-CD2 4.05Å; F984-L988 HydrophobicContact CZ-CG 3.98Å; F984-L988 WeakPolarHBondContact O-CG 3.26Å; F984-L988 PolarHBondContact O-N 2.85Å
985	F	88.1	Confident	85.7	Confident	42 Å²	42	38.8 Å²	38.8	18%	0.184	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-36.5	174.2	-60.2	-44.2	0	0	0	112.4	P945 L978 F981 Q982 L988 T989	P945-F985 HydrophobicContact CB-CB 4.1Å; P945-F985 HydrophobicContact CB-CD2 3.53Å; P945-F985 HydrophobicContact CB-CE2 4.28Å; P945-F985 HydrophobicContact CB-CG 4.09Å; P945-F985 HydrophobicContact CG-CB 4.35Å; P945-F985 HydrophobicContact CG-CD2 3.7Å; P945-F985 HydrophobicContact CG-CE2 4.19Å; P945-F985 HydrophobicContact CG-CG 4.07Å; L978-F985 HydrophobicContact CD2-CE2 4.43Å; F981-F985 HydrophobicContact CB-CD2 4.48Å; F981-F985 HydrophobicContact CB-CE2 3.96Å; F981-F985 HydrophobicContact CB-CZ 4.08Å; F981-F985 WeakPolarHBondContact O-CD2 3.4Å; F981-F985 PolarHBondContact O-N 2.9Å; Q982-F985 PolarHBondContact O-N 3.48Å; F985-L988 PolarHBondContact O-N 2.77Å; F985-T989 WeakPolarHBondContact O-CB 3.29Å; F985-T989 VanDerWaalsContact O-CG2 3.27Å; F985-T989 WeakPolarHBondContact O-CG2 3.45Å; F985-T989 PolarHBondContact O-N 3.41Å; F985-T989 PolarHBondContact O-OG1 3.32Å
986	I	88.4	Confident	85.1	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-42.6	174.1	-67.2	167.1	0	0	0	111.4	L740 T743 I770 L774 I946 Q982 G983 F984 T989 T990	L740-I986 HydrophobicContact CD2-CD1 4.4Å; T743-I986 HydrophobicContact CG2-CG2 4.27Å; I770-I986 HydrophobicContact CG2-CD1 4.1Å; L774-I986 HydrophobicContact CD2-CD1 3.94Å; I946-I986 HydrophobicContact CG1-CG1 4.25Å; Q982-I986 HydrophobicContact CG-CD1 4.36Å; Q982-I986 WeakPolarHBondContact O-CG1 3.17Å; Q982-I986 PolarHBondContact O-N 2.86Å; G983-I986 PolarHBondContact O-N 3.2Å; F984-I986 VanDerWaalsContact C-N 3.29Å; F984-I986 PolarHBondContact O-N 2.97Å; I986-T989 WeakPolarHBondContact CA-OG1 3.44Å; I986-T989 PolarHBondContact O-N 3.43Å; I986-T989 PolarHBondContact O-OG1 2.87Å; I986-T990 VanDerWaalsContact O-CB 3.22Å; I986-T990 WeakPolarHBondContact O-CB 3.17Å; I986-T990 PolarHBondContact O-N 3.47Å; I986-T990 PolarHBondContact O-OG1 2.97Å
987	L	89.6	Confident	84.7	Confident	15 Å²	15	39.7 Å²	39.7	8%	0.079	20%	0.198	C	C	.	.	I	π-helix	trans	-60.4	-47.5	175.2	176.6	65.7	0	0	0	111.8	V742 T743 I746 G983 F984 T989 C991 F992	V742-L987 HydrophobicContact CB-CD1 4.46Å; V742-L987 HydrophobicContact CG1-CD1 3.9Å; V742-L987 HydrophobicContact CG1-CD2 4.43Å; T743-L987 WeakPolarHBondContact OG1-CA 3.18Å; T743-L987 WeakPolarHBondContact OG1-CB 3.41Å; T743-L987 VanDerWaalsContact OG1-CD1 3.28Å; T743-L987 WeakPolarHBondContact OG1-CD1 3.28Å; I746-L987 HydrophobicContact CD1-CD1 4.17Å; G983-L987 PolarHBondContact O-N 3.49Å; G983-L987 VanDerWaalsContact O-N 3.08Å; F984-L987 WeakPolarHBondContact O-CB 3.37Å; F984-L987 PolarHBondContact O-N 2.97Å; L987-T989 VanDerWaalsContact C-N 3.31Å; L987-T989 PolarHBondContact O-N 3.21Å; L987-C991 HydrophobicContact CD1-CB 3.95Å; L987-C991 WeakPolarHBondContact O-CB 3.47Å; L987-C991 PolarHBondContact O-N 3.33Å; L987-C991 VanDerWaalsContact O-N 3.09Å; L987-F992 HydrophobicContact CD1-CE2 4.34Å; L987-F992 HydrophobicContact CD2-CE2 4.26Å; L987-F992 HydrophobicContact CG-CD2 4.42Å; L987-F992 HydrophobicContact CG-CE2 3.99Å; L987-F992 PolarHBondContact O-N 2.87Å
988	L	86.3	Confident	84.3	Confident	55 Å²	55	41.5 Å²	41.5	29%	0.288	20%	0.201	S	C	.	.	I	π-helix	trans	-60	-41.1	179.8	-70.4	-175.8	0	0	0	112.6	F984 F985 F992 G993	F984-L988 HydrophobicContact CD1-CD1 4.12Å; F984-L988 HydrophobicContact CE1-CD1 3.51Å; F984-L988 HydrophobicContact CE1-CG 4.11Å; F984-L988 HydrophobicContact CE2-CD2 4.27Å; F984-L988 HydrophobicContact CE2-CG 4.28Å; F984-L988 HydrophobicContact CZ-CD1 3.74Å; F984-L988 HydrophobicContact CZ-CD2 4.05Å; F984-L988 HydrophobicContact CZ-CG 3.98Å; F984-L988 WeakPolarHBondContact O-CG 3.26Å; F984-L988 PolarHBondContact O-N 2.85Å; F985-L988 PolarHBondContact O-N 2.77Å; L988-F992 HydrophobicContact CD2-CD2 4.03Å; L988-G993 PolarHBondContact O-N 3.4Å
989	T	80.3	Confident	84.2	Confident	17 Å²	17	42.6 Å²	42.6	10%	0.104	20%	0.204	C	C	.	.	I	π-helix	trans	-82.2	-47.9	-174.5	49.2	0	0	0	0	112.7	L942 I946 F985 I986 L987 G993 D994	L942-T989 HydrophobicContact CB-CG2 3.6Å; L942-T989 WeakPolarHBondContact O-CG2 3.41Å; I946-T989 HydrophobicContact CD1-CG2 3.74Å; I946-T989 WeakPolarHBondContact CD1-OG1 3.38Å; F985-T989 WeakPolarHBondContact O-CB 3.29Å; F985-T989 VanDerWaalsContact O-CG2 3.27Å; F985-T989 WeakPolarHBondContact O-CG2 3.45Å; F985-T989 PolarHBondContact O-N 3.41Å; F985-T989 PolarHBondContact O-OG1 3.32Å; I986-T989 WeakPolarHBondContact CA-OG1 3.44Å; I986-T989 PolarHBondContact O-N 3.43Å; I986-T989 PolarHBondContact O-OG1 2.87Å; L987-T989 VanDerWaalsContact C-N 3.31Å; L987-T989 PolarHBondContact O-N 3.21Å; T989-G993 CarbonylContact O-C 3.54Å; T989-G993 WeakPolarHBondContact O-CA 3.44Å; T989-G993 PolarHBondContact O-N 2.94Å; T989-D994 PolarHBondContact O-N 2.98Å; T989-D994 VanDerWaalsContact O-N 3.09Å
990	T	79.7	Confident	83.9	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.055	20%	0.2	C	C	.	.	I	π-helix	trans	-81.2	-38.8	-171.5	-44.4	0	0	0	0	111.5	E747 H767 I986 D994	E747-T990 WeakPolarHBondContact OE1-CG2 3.4Å; H767-T990 HydrophobicContact CB-CG2 4.41Å; I986-T990 VanDerWaalsContact O-CB 3.22Å; I986-T990 WeakPolarHBondContact O-CB 3.17Å; I986-T990 PolarHBondContact O-N 3.47Å; I986-T990 PolarHBondContact O-OG1 2.97Å; T990-D994 VanDerWaalsContact O-CB 3.26Å; T990-D994 WeakPolarHBondContact O-CB 3.27Å
991	C	81.7	Confident	83.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-94.3	-49.3	-177.5	-57.5	0	0	0	0	112.8	I746 L987	I746-C991 HydrophobicContact CD1-CB 4.02Å; I746-C991 HydrophobicContact CG2-CB 4.24Å; L987-C991 HydrophobicContact CD1-CB 3.95Å; L987-C991 WeakPolarHBondContact O-CB 3.47Å; L987-C991 PolarHBondContact O-N 3.33Å; L987-C991 VanDerWaalsContact O-N 3.09Å
992	F	80.2	Confident	83.2	Confident	104 Å²	104	44.6 Å²	44.6	46%	0.456	22%	0.215	S	C	.	.	I	π-helix	trans	-89.7	-32.8	-175.1	-61.2	-54.5	0	0	0	113.7	L987 L988 R998	L987-F992 HydrophobicContact CD1-CE2 4.34Å; L987-F992 HydrophobicContact CD2-CE2 4.26Å; L987-F992 HydrophobicContact CG-CD2 4.42Å; L987-F992 HydrophobicContact CG-CE2 3.99Å; L987-F992 PolarHBondContact O-N 2.87Å; L988-F992 HydrophobicContact CD2-CD2 4.03Å; F992-R998 PolarHBondContact O-NH1 2.72Å
993	G	72.4	Confident	82.9	Confident	50 Å²	50	49.8 Å²	49.8	52%	0.515	24%	0.235	S	C	.	.	I	π-helix	trans	-78.4	-38.1	179.6	0	0	0	0	0	113.7	L988 T989 R995	L988-G993 PolarHBondContact O-N 3.4Å; T989-G993 CarbonylContact O-C 3.54Å; T989-G993 WeakPolarHBondContact O-CA 3.44Å; T989-G993 PolarHBondContact O-N 2.94Å; G993-R995 PolarHBondContact O-N 2.97Å
994	D	75.8	Confident	82.4	Confident	29 Å²	29	53.9 Å²	53.9	16%	0.155	25%	0.251	C	S	.	.			trans	-74.4	114.3	179	-176	71.1	0	0	0	111.2	R763 T989 T990 M996 T997 R998	R763-D994 IonicContact CZ-OD1 2.9Å; R763-D994 IonicContact NH1-OD1 2.68Å; R763-D994 IonicContact NH2-OD1 3.66Å; R763-D994 PolarHBondContact NH2-OD1 3.47Å; R763-D994 VanDerWaalsContact NH2-OD1 3.14Å; R763-D994 IonicContact NH2-OD2 3.74Å; T989-D994 PolarHBondContact O-N 2.98Å; T989-D994 VanDerWaalsContact O-N 3.09Å; T990-D994 VanDerWaalsContact O-CB 3.26Å; T990-D994 WeakPolarHBondContact O-CB 3.27Å; D994-M996 VanDerWaalsContact C-N 3.27Å; D994-M996 PolarHBondContact O-N 3.1Å; D994-M996 WeakPolarHBondContact OD2-CB 3.3Å; D994-M996 PolarHBondContact OD2-N 3.41Å; D994-T997 PolarHBondContact O-N 2.77Å; D994-T997 WeakPolarHBondContact OD2-CB 3.4Å; D994-T997 PolarHBondContact OD2-N 3.03Å; D994-T997 PolarHBondContact OD2-OG1 3.01Å; D994-R998 WeakPolarHBondContact O-CB 3.29Å; D994-R998 PolarHBondContact O-N 3.32Å
995	R	75.1	Confident	82	Confident	169 Å²	169	55 Å²	55	64%	0.638	26%	0.259	S	S	*	.	H	α-helix	trans	-59.5	-37.9	-177.1	-177.4	178.2	174.7	178.3	-1.4	112.1	G993 E999	G993-R995 PolarHBondContact O-N 2.97Å; R995-E999 HydrophobicContact CG-CG 4.37Å; R995-E999 WeakPolarHBondContact CG-OE1 3.36Å; R995-E999 IonicContact CZ-OE1 3.79Å; R995-E999 IonicContact NE-OE1 3.03Å; R995-E999 PolarHBondContact NE-OE1 3.26Å; R995-E999 IonicContact NH2-OE1 3.54Å; R995-E999 PolarHBondContact NH2-OE1 2.91Å; R995-E999 WeakPolarHBondContact O-CB 3.44Å; R995-E999 VanDerWaalsContact O-CG 3.3Å; R995-E999 WeakPolarHBondContact O-CG 3.44Å; R995-E999 PolarHBondContact O-N 2.96Å
996	M	77.2	Confident	81.6	Confident	76 Å²	76	60.7 Å²	60.7	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-45.1	-177.8	-62.3	-173.2	67.7	0	0	111.1	V754 L760 D994 A1000	V754-M996 HydrophobicContact CG1-CB 4.22Å; L760-M996 HydrophobicContact CD1-CE 3.67Å; L760-M996 HydrophobicContact CD1-SD 3.93Å; L760-M996 HydrophobicContact CD2-SD 4.22Å; D994-M996 VanDerWaalsContact C-N 3.27Å; D994-M996 PolarHBondContact O-N 3.1Å; D994-M996 WeakPolarHBondContact OD2-CB 3.3Å; D994-M996 PolarHBondContact OD2-N 3.41Å; M996-A1000 WeakPolarHBondContact O-CB 3.39Å; M996-A1000 PolarHBondContact O-N 3.35Å
997	T	80.9	Confident	80.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-44.9	177.6	-54.2	0	0	0	0	111.3	I746 V750 D994 E999 A1000 L1001	I746-T997 HydrophobicContact CG2-CG2 4.11Å; V750-T997 HydrophobicContact CG1-CG2 4.25Å; D994-T997 PolarHBondContact O-N 2.77Å; D994-T997 WeakPolarHBondContact OD2-CB 3.4Å; D994-T997 PolarHBondContact OD2-N 3.03Å; D994-T997 PolarHBondContact OD2-OG1 3.01Å; T997-E999 PolarHBondContact O-N 2.9Å; T997-A1000 PolarHBondContact O-N 3.49Å; T997-L1001 WeakPolarHBondContact O-CB 3.48Å; T997-L1001 PolarHBondContact O-N 3.15Å
998	R	83.7	Confident	79.5	Confident	110 Å²	110	76 Å²	76	42%	0.415	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-46.4	176.6	-174.2	177.3	68.4	-147.1	4.7	112.7	F992 D994 L1001 L1002	F992-R998 PolarHBondContact O-NH1 2.72Å; D994-R998 WeakPolarHBondContact O-CB 3.29Å; D994-R998 PolarHBondContact O-N 3.32Å; R998-L1001 PolarHBondContact O-N 3Å; R998-L1002 HydrophobicContact CG-CD1 4.23Å; R998-L1002 WeakPolarHBondContact O-CB 3.3Å; R998-L1002 VanDerWaalsContact O-CG 3.31Å; R998-L1002 WeakPolarHBondContact O-CG 3.46Å; R998-L1002 PolarHBondContact O-N 3.32Å
999	E	84.8	Confident	78	Confident	70 Å²	70	76.4 Å²	76.4	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-65.9	-39.7	179.2	-75.6	178.1	-170.7	0	0	111.9	R995 T997 R1003	R995-E999 HydrophobicContact CG-CG 4.37Å; R995-E999 WeakPolarHBondContact CG-OE1 3.36Å; R995-E999 IonicContact CZ-OE1 3.79Å; R995-E999 IonicContact NE-OE1 3.03Å; R995-E999 PolarHBondContact NE-OE1 3.26Å; R995-E999 IonicContact NH2-OE1 3.54Å; R995-E999 PolarHBondContact NH2-OE1 2.91Å; R995-E999 WeakPolarHBondContact O-CB 3.44Å; R995-E999 VanDerWaalsContact O-CG 3.3Å; R995-E999 WeakPolarHBondContact O-CG 3.44Å; R995-E999 PolarHBondContact O-N 2.96Å; T997-E999 PolarHBondContact O-N 2.9Å; E999-R1003 WeakPolarHBondContact O-CG 3.09Å; E999-R1003 PolarHBondContact O-N 3.22Å
1000	A	83	Confident	76.5	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-42	176.7	0	0	0	0	0	112.4	V750 D753 V754 M996 T997 L1002 R1003 Y1004	V750-A1000 HydrophobicContact CG1-CB 3.43Å; V750-A1000 VanDerWaalsContact CG1-CB 3.43Å; V750-A1000 HydrophobicContact CG2-CB 4.41Å; D753-A1000 HydrophobicContact CB-CB 3.84Å; V754-A1000 HydrophobicContact CG1-CB 4.03Å; M996-A1000 WeakPolarHBondContact O-CB 3.39Å; M996-A1000 PolarHBondContact O-N 3.35Å; T997-A1000 PolarHBondContact O-N 3.49Å; A1000-L1002 PolarHBondContact O-N 3.37Å; A1000-R1003 WeakPolarHBondContact O-CB 3.47Å; A1000-R1003 PolarHBondContact O-N 2.98Å; A1000-Y1004 PolarHBondContact O-N 3.41Å
1001	L	84.6	Confident	75.1	Confident	27 Å²	27	86.1 Å²	86.1	14%	0.141	43%	0.434	C	S	.	.	H	α-helix	trans	-61.1	-45.3	174.1	-177.5	62	0	0	0	111.6	I746 V750 T997 R998 R1003 Y1004 I1005	I746-L1001 HydrophobicContact CD1-CD2 4.34Å; I746-L1001 HydrophobicContact CG1-CD2 4.49Å; I746-L1001 HydrophobicContact CG2-CD2 4.23Å; V750-L1001 HydrophobicContact CG2-CB 4.06Å; V750-L1001 HydrophobicContact CG2-CD1 4.34Å; T997-L1001 WeakPolarHBondContact O-CB 3.48Å; T997-L1001 PolarHBondContact O-N 3.15Å; R998-L1001 PolarHBondContact O-N 3Å; L1001-R1003 VanDerWaalsContact C-N 3.32Å; L1001-R1003 PolarHBondContact O-N 2.89Å; L1001-Y1004 PolarHBondContact O-N 3.35Å; L1001-I1005 HydrophobicContact CD1-CD1 4.16Å; L1001-I1005 HydrophobicContact CD1-CG1 4.41Å; L1001-I1005 HydrophobicContact CG-CD1 3.93Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.32Å; L1001-I1005 PolarHBondContact O-N 3.43Å
1002	L	83.4	Confident	73	Confident	87 Å²	87	91.3 Å²	91.3	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-38.1	175.7	-74.5	172.7	0	0	0	112.2	R998 A1000 K1006	R998-L1002 HydrophobicContact CG-CD1 4.23Å; R998-L1002 WeakPolarHBondContact O-CB 3.3Å; R998-L1002 VanDerWaalsContact O-CG 3.31Å; R998-L1002 WeakPolarHBondContact O-CG 3.46Å; R998-L1002 PolarHBondContact O-N 3.32Å; A1000-L1002 PolarHBondContact O-N 3.37Å; L1002-K1006 VanDerWaalsContact O-CB 3.29Å; L1002-K1006 WeakPolarHBondContact O-CB 3.35Å; L1002-K1006 VanDerWaalsContact O-CG 3.25Å; L1002-K1006 WeakPolarHBondContact O-CG 3.34Å; L1002-K1006 PolarHBondContact O-N 3.37Å
1003	R	83.2	Confident	71.3	Confident	115 Å²	115	91.7 Å²	91.7	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-63.4	-42.6	173.3	-77.4	-171.6	-65.1	-108.6	-1.7	111.7	E999 A1000 L1001 K1006 K1007	E999-R1003 WeakPolarHBondContact O-CG 3.09Å; E999-R1003 PolarHBondContact O-N 3.22Å; A1000-R1003 WeakPolarHBondContact O-CB 3.47Å; A1000-R1003 PolarHBondContact O-N 2.98Å; L1001-R1003 VanDerWaalsContact C-N 3.32Å; L1001-R1003 PolarHBondContact O-N 2.89Å; R1003-K1006 PolarHBondContact O-N 3.44Å; R1003-K1007 WeakPolarHBondContact O-CB 3.33Å; R1003-K1007 WeakPolarHBondContact O-CG 3.31Å; R1003-K1007 PolarHBondContact O-N 2.88Å
1004	Y	81.7	Confident	69.6	Low	86 Å²	86	95.8 Å²	95.8	34%	0.337	50%	0.5	S	S	.	.	H	α-helix	trans	-64.4	-45.2	177.1	179.2	-98.7	0	0	0	112	I749 A1000 L1001 K1007 K1008	I749-Y1004 HydrophobicContact CD1-CE1 4.42Å; I749-Y1004 HydrophobicContact CG2-CD1 3.55Å; I749-Y1004 HydrophobicContact CG2-CD2 3.97Å; I749-Y1004 HydrophobicContact CG2-CE1 3.62Å; I749-Y1004 HydrophobicContact CG2-CE2 4.06Å; I749-Y1004 HydrophobicContact CG2-CG 3.71Å; A1000-Y1004 PolarHBondContact O-N 3.41Å; L1001-Y1004 PolarHBondContact O-N 3.35Å; Y1004-K1007 PolarHBondContact O-N 3.28Å; Y1004-K1008 HydrophobicContact CE1-CD 4.21Å; Y1004-K1008 PolarHBondContact O-N 3.4Å; Y1004-K1008 PolarHBondContact OH-NZ 3.09Å
1005	I	82.9	Confident	67.5	Low	94 Å²	94	99.5 Å²	99.5	48%	0.482	53%	0.529	S	S	.	.	H	α-helix	trans	-63.1	-44.6	176.6	-66.3	168.2	0	0	0	110.7	L1001 K1007 K1008 A1009	L1001-I1005 HydrophobicContact CD1-CD1 4.16Å; L1001-I1005 HydrophobicContact CD1-CG1 4.41Å; L1001-I1005 HydrophobicContact CG-CD1 3.93Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.32Å; L1001-I1005 PolarHBondContact O-N 3.43Å; I1005-K1007 VanDerWaalsContact C-N 3.35Å; I1005-K1007 PolarHBondContact O-N 3.33Å; I1005-K1008 CarbonylContact O-C 3.59Å; I1005-K1008 PolarHBondContact O-N 3.12Å; I1005-K1008 VanDerWaalsContact O-N 3.1Å; I1005-A1009 PolarHBondContact O-N 2.84Å
1006	K	79.7	Confident	65.9	Low	161 Å²	161	100.8 Å²	100.8	70%	0.7	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-35.5	176.5	-75.6	179.7	179.1	-172.1	0	113.1	L1002 R1003 K1008 A1009	L1002-K1006 VanDerWaalsContact O-CB 3.29Å; L1002-K1006 WeakPolarHBondContact O-CB 3.35Å; L1002-K1006 VanDerWaalsContact O-CG 3.25Å; L1002-K1006 WeakPolarHBondContact O-CG 3.34Å; L1002-K1006 PolarHBondContact O-N 3.37Å; R1003-K1006 PolarHBondContact O-N 3.44Å; K1006-K1008 PolarHBondContact O-N 3.12Å; K1006-A1009 PolarHBondContact O-N 3.4Å
1007	K	71.1	Confident	63.7	Low	188 Å²	188	102.8 Å²	102.8	82%	0.817	56%	0.563	S	S	*	*	H	α-helix	trans	-66.4	-21.3	173.5	-85.5	-176.2	174.5	-177.8	0	113.4	R1003 Y1004 I1005	R1003-K1007 WeakPolarHBondContact O-CB 3.33Å; R1003-K1007 WeakPolarHBondContact O-CG 3.31Å; R1003-K1007 PolarHBondContact O-N 2.88Å; Y1004-K1007 PolarHBondContact O-N 3.28Å; I1005-K1007 VanDerWaalsContact C-N 3.35Å; I1005-K1007 PolarHBondContact O-N 3.33Å
1008	K	62.4	Low	61.6	Low	148 Å²	148	109.1 Å²	109.1	64%	0.643	60%	0.602	S	S	*	*	H	α-helix	trans	-103.2	-7	-179.8	-106.4	-178	171.3	177.3	0	114.2	Y1004 I1005 K1006	Y1004-K1008 HydrophobicContact CE1-CD 4.21Å; Y1004-K1008 PolarHBondContact O-N 3.4Å; Y1004-K1008 PolarHBondContact OH-NZ 3.09Å; I1005-K1008 CarbonylContact O-C 3.59Å; I1005-K1008 PolarHBondContact O-N 3.12Å; I1005-K1008 VanDerWaalsContact O-N 3.1Å; K1006-K1008 PolarHBondContact O-N 3.12Å
1009	A	55.4	Low	59.1	Low	64 Å²	64	109.3 Å²	109.3	53%	0.529	62%	0.62	S	S	.	*	S	Bend	trans	-69.2	125.7	173.6	0	0	0	0	0	109.2	I1005 K1006 A1011	I1005-A1009 PolarHBondContact O-N 2.84Å; K1006-A1009 PolarHBondContact O-N 3.4Å; A1009-A1011 PolarHBondContact O-N 3.26Å
1010	P	48.6	Very low	56.8	Low	119 Å²	119	115.4 Å²	115.4	77%	0.773	65%	0.646	S	S	*	*			trans	-64.6	134	176.3	24.7	-30.4	0	0	0	109.9	S1012	P1010-S1012 PolarHBondContact O-N 3.23Å
1011	A	50.1	Low	54.2	Low	111 Å²	111	120.8 Å²	120.8	92%	0.917	68%	0.683	S	S	*	*			trans	-68.5	95.4	173.9	0	0	0	0	0	109.6	A1009	A1009-A1011 PolarHBondContact O-N 3.26Å
1012	S	37.9	Very low	51.8	Low	110 Å²	110	128.2 Å²	128.2	77%	0.769	72%	0.717	S	S	*	*			trans	-90.2	109.9	163.9	56.7	0	0	0	0	109.2	P1010	P1010-S1012 PolarHBondContact O-N 3.23Å
1013	S	43.1	Very low	49.4	Very low	111 Å²	111	130.4 Å²	130.4	78%	0.776	73%	0.734	S	S	*	*			trans	-49.7	126.6	164.5	50.7	0	0	0	0	112.2
1014	V	37.2	Very low	46.8	Very low	136 Å²	136	130.4 Å²	130.4	82%	0.824	75%	0.747	S	S	*	*			trans	-159.5	119	134.6	174.4	0	0	0	0	109
1015	S	31.7	Very low	44.4	Very low	107 Å²	107	137.5 Å²	137.5	75%	0.748	77%	0.773	S	S	*	*			trans	15.1	131.7	153.4	-47.8	0	0	0	0	122.4	S1017	S1015-S1017 PolarHBondContact O-N 2.92Å
1016	E	41.1	Very low	42	Very low	197 Å²	197	142.6 Å²	142.6	92%	0.921	79%	0.792	S	S	*	*			trans	-46.9	124.8	152.6	-71.7	174.2	138	0	0	111.6
1017	S	31.1	Very low	39.8	Very low	117 Å²	117	146.5 Å²	146.5	82%	0.818	81%	0.809	S	S	*	*			trans	-140.7	122.2	138.2	63.2	0	0	0	0	109.9	S1015	S1015-S1017 PolarHBondContact O-N 2.92Å
1018	T	37.1	Very low	38.3	Very low	134 Å²	134	144.4 Å²	144.4	82%	0.822	81%	0.808	S	S	*	*			trans	-67.7	123.3	173.6	-55	0	0	0	0	109.9
1019	S	30.3	Very low	37	Very low	113 Å²	113	144.2 Å²	144.2	79%	0.79	82%	0.817	S	S	*	*			trans	-148.1	119	140.8	63.8	0	0	0	0	110.6
1020	K	38.2	Very low	36	Very low	198 Å²	198	148.7 Å²	148.7	86%	0.861	83%	0.833	S	S	*	*			trans	-63.6	137.5	166	-72.9	173	171.4	178.9	0	109.2
1021	S	27.1	Very low	35.2	Very low	113 Å²	113	150.4 Å²	150.4	79%	0.79	84%	0.837	S	S	*	*			trans	-151.7	103.4	141.4	37.5	0	0	0	0	109.6
1022	E	34.4	Very low	34.3	Very low	183 Å²	183	152.9 Å²	152.9	86%	0.855	83%	0.832	S	S	*	*			trans	-55.8	130.5	157	-69.7	167.9	122.7	0	0	109.5
1023	V	32.6	Very low	34.1	Very low	133 Å²	133	155.7 Å²	155.7	81%	0.806	84%	0.836	S	S	*	*			trans	-146.3	92.3	139.2	-174	0	0	0	0	109.5
1024	T	30.4	Very low	33.4	Very low	115 Å²	115	158.9 Å²	158.9	71%	0.706	84%	0.84	S	S	*	*				37.3	104.4	127.7	-8.5	0	0	0	0	120.4
1025	W	31.1	Very low	33.1	Very low	235 Å²	235	160.7 Å²	160.7	89%	0.89	84%	0.841	S	S	*	*				6.8	128.4	129.2	-68.4	85.8	0	0	0	119.3
1026	K	31.6	Very low	33.3	Very low	202 Å²	202	165.2 Å²	165.2	88%	0.878	85%	0.849	S	S	*	*				-173.5	129.8	112.8	-103.3	171	-177.2	177.9	0	114
1027	K	34.4	Very low	32.6	Very low	242 Å²	242	162.3 Å²	162.3	100%	1.052	84%	0.843	S	S	*	*			trans	71.2	0	162	-74.1	-163.9	164.6	-160.2	0	120	E927	E927-K1027 IonicContact OE1-NZ 2.84Å; E927-K1027 PolarHBondContact OE1-NZ 3.32Å

Retrieved 1,027 of 1,027 residues in 7151.1 ms (Link to these results)

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