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Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase

Bifunctional inositol kinase that acts in concert with the IP6K kinases to synthesize the diphosphate group-containing inositol pyrophosphates diphosphoinositol pentakisphosphate, PP-InsP5, and bis-diphosphoinositol tetrakisphosphate, (PP)2-InsP4. PP-InsP5 and (PP)2-InsP4, also respectively called InsP7 and InsP8, may regulate a variety of cellular processes, including apoptosis, vesicle trafficking, cytoskeletal dynamics, and exocytosis. Phosphorylates inositol hexakisphosphate (InsP6) at position 1 to produce PP-InsP5 which is in turn phosphorylated by IP6Ks to produce (PP)2-InsP4. Alternatively, phosphorylates PP-InsP5 at position 1, produced by IP6Ks from InsP6, to produce (PP)2-InsP4.

AlphaFold DB , UniProt , Accession X2JGE9, Species DROME (Drosophila melanogaster, Fruit fly), Gene l(1)G0196, Length 1,146 aa.

						>X2JGE9_DROME|X2JGE9|l(1)G0196
MSYTELESGYQDISQQHQQQNPHQSQPQQRVGFYLGLQDGNGDTDFGDSNDGMDSDTSTSSSNSKQVVVGICAMAKKTQSKPMKEILTRLGEFEFIKLVTFEENVILREPVQNWPTCDCLVSFHSKGFPLEKAIEYAQLRNPFVLNNLHMQYDIQDRRRVYAILEKEGIEIPRYAVLDRDSPDPKHHELIESEDHVEVNGITFNKPFVEKPVSAEDHNIYIYYPTSAGGGSQRLFRKIGSRSSVYSPESRVRKTGSFIYEDFMPTDGTDVKVYTVGPDYAHAEARKSPALDGKVERDSEGKEIRYPVILNHSEKLISRKVCLAFKQTVCGFDLLRANGKSYVCDVNGFSFVKNSNKYYDDCAKILGNMILRELTPTLHIPWSVPFQLDDPPIVPTTFGKMMELRCVVAVIRHGDRTPKQKMKVEVRHPKFFEIFEKYDGYKLGHVKLKRPKQLQEILDIARFLLSEIHTKAHAEIEEKESKLEQLKNVLEMYGHFSGINRKVQMKYQPKGRPRGSSSDDTNLAADQPVEPSLVLILKWGGELTPAGRIQAEELGRIFRCMYPGGQGRSDYSGTQGLGLLRLHSTFRHDLKIYASDEGRVQMTAAAFAKGLLALEGELTPILVQMVKSANTNGLLDNDCDSSKYQNLAKGRLHELMQNDREFSKEDRELINPCNSKSITQALDFVKNPVDCCHHVHLLIRELLHIISIKKDDPKTKDAILYHGETWDLMRCRWEKIEKDFSTKSKLFDISKIPDIYDCIKYDLQHNQHTLQYDQAEELYIYAKNLADIVIPQEYGLTPQEKLAIGQGICSPLLRKIKGDLQRNIDEVEDEFMNRLNPHYSHGVASPQRHVRTRLYFTSESHVHSLLTVLRYGGLLNVVTDEQWRRAMDYISMVSELNYMSQIVIMLYEDPTKDPTSEERFHVELHFSPGVNCCVQKNLPPGPGFRPHSHGDNACNVSLQSSDESNPARIEEENDSNSGEEREGKKRGTSGQRSTDRSAERISPAFGFNRLELRSKQFKSKPIPIGAHHTVSGHEAMDLAKRLNEELASHQQQQNQQLRPISPDIRAVTPDCEPRSRSFEQRPTSGVCAKEPAFLNNCAFLFCLTHLTTTRLAIPSFRLIRSDSVWFFLIKHCLFSITIRQCNNDIGY
					

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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	25.3	Very low	25.8	Very low	254 Å²	254	166.4 Å²	166.4	100%	1.251	86%	0.861	S	S	*	*				0	177.7	0	-63.1	-178.8	-171	0	0	107.9
2	S	24.6	Very low	25.8	Very low	108 Å²	108	165.1 Å²	165.1	76%	0.755	86%	0.857	S	S	*	*			trans	-92.8	155.8	-155.1	46.9	0	0	0	0	117.1
3	Y	25	Very low	25.8	Very low	211 Å²	211	164.2 Å²	164.2	83%	0.827	85%	0.851	S	S	*	*			trans	6.4	133.8	145.4	-73.5	-95.5	0	0	0	120.7
4	T	29.1	Very low	25.7	Very low	121 Å²	121	159.6 Å²	159.6	74%	0.742	84%	0.84	S	S	*	*				-178.7	117.7	110	24.9	0	0	0	0	108.3
5	E	28.8	Very low	25.8	Very low	169 Å²	169	159.4 Å²	159.4	79%	0.79	83%	0.833	S	S	*	*				74.5	119.2	91.1	-73.5	-176.8	172	0	0	116
6	L	26.4	Very low	25.8	Very low	176 Å²	176	159.3 Å²	159.3	92%	0.921	83%	0.827	S	S	*	*			trans	-175	124.3	131	-105.1	166.6	0	0	0	111.3
7	E	25.8	Very low	25.9	Very low	184 Å²	184	161.4 Å²	161.4	86%	0.86	83%	0.831	S	S	*	*			trans	-105.7	160	168.5	-62.7	-176.7	123	0	0	110.6
8	S	24.9	Very low	25.9	Very low	124 Å²	124	161.3 Å²	161.3	87%	0.867	83%	0.827	S	S	*	*			trans	174.7	143.6	133.4	37.9	0	0	0	0	113.9
9	G	23.8	Very low	26	Very low	67 Å²	67	161.3 Å²	161.3	69%	0.691	82%	0.823	S	S	*	*			trans	87.6	133	165.6	0	0	0	0	0	115.7
10	Y	25.5	Very low	25.9	Very low	237 Å²	237	163.4 Å²	163.4	93%	0.929	83%	0.829	S	S	*	*			cis	-150.5	144.3	-6.2	-118.3	-89.6	0	0	0	109
11	Q	24.4	Very low	25.9	Very low	179 Å²	179	162.5 Å²	162.5	84%	0.836	83%	0.826	S	S	*	*			trans	-91	147.3	160.7	-63.5	174.2	-47.6	0	0	108.4
12	D	25.5	Very low	26.7	Very low	151 Å²	151	155.5 Å²	155.5	81%	0.807	80%	0.8	S	S	*	*				-169.2	165.2	120.8	-131.7	-31.1	0	0	0	115.5
13	I	25.7	Very low	26.8	Very low	154 Å²	154	157.6 Å²	157.6	79%	0.79	80%	0.798	S	S	*	*			trans	68.9	124.1	157.9	-65.7	164.4	0	0	0	118.5
14	S	25.5	Very low	26.9	Very low	99 Å²	99	155.9 Å²	155.9	69%	0.692	80%	0.797	S	S	*	*			trans	-131.3	170.8	163.7	60.8	0	0	0	0	109.7
15	Q	26.3	Very low	26.7	Very low	157 Å²	157	155.4 Å²	155.4	73%	0.734	80%	0.799	S	S	*	*			trans	101.6	144.5	162.8	-55.9	-162.2	21.1	0	0	120.6
16	Q	26.2	Very low	26.6	Very low	157 Å²	157	154.6 Å²	154.6	73%	0.734	80%	0.795	S	S	*	*			trans	66.1	110.4	153.7	-72.1	170.4	55.2	0	0	120.1
17	H	27.1	Very low	26.8	Very low	196 Å²	196	152.3 Å²	152.3	91%	0.907	79%	0.791	S	S	*	*				-145.5	160.8	103.9	-108.5	65.4	0	0	0	110.9
18	Q	26.4	Very low	26.8	Very low	160 Å²	160	151 Å²	151	75%	0.748	79%	0.785	S	S	*	*			trans	-145.8	151	-171.5	-137.7	-166.7	42.2	0	0	112.1
19	Q	27.1	Very low	26.9	Very low	160 Å²	160	154.5 Å²	154.5	75%	0.748	79%	0.787	S	S	*	*			trans	61.4	118.5	162.1	-53.3	-175.7	39.4	0	0	119.5
20	Q	24.9	Very low	27	Very low	203 Å²	203	162.7 Å²	162.7	95%	0.949	80%	0.797	S	S	*	*				-150.9	162.1	110.4	-107.2	176.8	31.5	0	0	110
21	N	26.2	Very low	27	Very low	145 Å²	145	158.5 Å²	158.5	78%	0.775	80%	0.796	S	S	*	*			trans	-146.7	150.9	-169.5	-158.5	-3.6	0	0	0	107.7
22	P	40.6	Very low	27.1	Very low	107 Å²	107	153 Å²	153	70%	0.695	79%	0.788	S	S	*	*				-153.8	146.1	105.6	36.2	-17.4	0	0	0	118.6
23	H	26.8	Very low	27.3	Very low	153 Å²	153	156 Å²	156	71%	0.708	79%	0.794	S	S	*	*			trans	68.1	122.9	137.7	-70.6	-43	0	0	0	124.6
24	Q	26.8	Very low	27.2	Very low	174 Å²	174	159.7 Å²	159.7	81%	0.813	80%	0.799	S	S	*	*			trans	72.8	140.9	136.2	-65.1	173	7.9	0	0	118
25	S	25.1	Very low	27.5	Very low	111 Å²	111	163.1 Å²	163.1	78%	0.776	81%	0.809	S	S	*	*			cis	-149	147.1	5.4	50.5	0	0	0	0	112.8
26	Q	26.6	Very low	27.5	Very low	153 Å²	153	159 Å²	159	72%	0.715	81%	0.809	S	S	*	*			trans	-90.1	168.7	156.9	-68.7	-171.4	-11.1	0	0	110.1
27	P	31	Very low	27.6	Very low	128 Å²	128	159.4 Å²	159.4	83%	0.831	82%	0.815	S	S	*	*				-132	157	97.8	37.5	-30.1	0	0	0	114.9
28	Q	26.9	Very low	27.7	Very low	156 Å²	156	157.5 Å²	157.5	73%	0.729	81%	0.807	S	S	*	*			trans	-84.5	165.9	171	-53.5	161.6	-17.7	0	0	110.3
29	Q	25.5	Very low	27.9	Very low	197 Å²	197	156.7 Å²	156.7	92%	0.921	81%	0.807	S	S	*	*				-164.1	160	120.8	-110.9	171.8	18.5	0	0	114.6
30	R	27.4	Very low	27.9	Very low	240 Å²	240	152.3 Å²	152.3	91%	0.906	81%	0.805	S	S	*	*			trans	-94.7	143.7	173.9	-65.6	167	165	173.8	-7	110.6
31	V	25.9	Very low	28	Very low	149 Å²	149	151 Å²	151	90%	0.903	81%	0.805	S	S	*	*			trans	-147.4	143.5	148.3	-165.6	0	0	0	0	105.8
32	G	25.5	Very low	28.1	Very low	64 Å²	64	147.1 Å²	147.1	66%	0.66	80%	0.799	S	S	*	*			cis	140.6	103.4	-1.4	0	0	0	0	0	109.5
33	F	29.5	Very low	27.5	Very low	214 Å²	214	149.4 Å²	149.4	94%	0.939	81%	0.805	S	S	*	*			trans	-71.6	136.6	176.1	-90.8	-92.3	0	0	0	110.8
34	Y	24.1	Very low	27.6	Very low	231 Å²	231	147.9 Å²	147.9	91%	0.906	81%	0.807	S	S	*	*			trans	-145.9	140.4	165.4	-120.3	-90.2	0	0	0	111.3
35	L	32.2	Very low	27.7	Very low	170 Å²	170	146.2 Å²	146.2	89%	0.89	80%	0.804	S	S	*	*			trans	-105.7	141.4	165.8	-98	160.3	0	0	0	107.8
36	G	25.3	Very low	28.1	Very low	72 Å²	72	150.2 Å²	150.2	74%	0.742	81%	0.808	S	S	*	*			trans	-146.1	143.7	179.3	0	0	0	0	0	110.6
37	L	28.2	Very low	28.2	Very low	165 Å²	165	146.7 Å²	146.7	86%	0.864	81%	0.812	S	S	*	*			trans	-120.9	164.7	-174	-92	166.4	0	0	0	111.2
38	Q	29.7	Very low	28.2	Very low	156 Å²	156	148.1 Å²	148.1	73%	0.729	81%	0.813	S	S	*	*			trans	92.4	139.8	148	-88.3	-172	-93.3	0	0	123.2
39	D	30	Very low	28.5	Very low	142 Å²	142	146.5 Å²	146.5	76%	0.759	82%	0.819	S	S	*	*			trans	74.8	131.6	146.2	-57.3	-8.1	0	0	0	122.9
40	G	27	Very low	28.8	Very low	68 Å²	68	143.2 Å²	143.2	70%	0.701	81%	0.808	S	S	*	*			trans	150.5	63.4	151.1	0	0	0	0	0	120.6
41	N	28.2	Very low	29.2	Very low	177 Å²	177	138.8 Å²	138.8	95%	0.947	80%	0.802	S	S	*	*			trans	61.7	166.8	162	-62.3	-2.4	0	0	0	117.4
42	G	27	Very low	29.4	Very low	63 Å²	63	135.5 Å²	135.5	65%	0.649	80%	0.798	S	S	*	*			cis	168.8	165	-7.3	0	0	0	0	0	111.1
43	D	28.1	Very low	30.1	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	81%	0.812	S	S	*	*			trans	63.7	107.6	171.3	-56.6	-9.5	0	0	0	116.6
44	T	30.6	Very low	30.3	Very low	122 Å²	122	139.3 Å²	139.3	75%	0.748	81%	0.809	S	S	*	*				59.1	134.9	85.6	64.7	0	0	0	0	113.9
45	D	28.9	Very low	30.9	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	80%	0.801	S	S	*	*			cis	-162.7	-159.9	40.4	-158.5	59.2	0	0	0	113.8
46	F	31.9	Very low	30.9	Very low	196 Å²	196	132.5 Å²	132.5	86%	0.86	80%	0.797	S	S	*	*			trans	-73	169.3	-169.8	-72.1	-126.3	0	0	0	115
47	G	29.2	Very low	31.6	Very low	79 Å²	79	135.9 Å²	135.9	81%	0.814	80%	0.804	S	S	*	*			trans	164.1	74.9	158	0	0	0	0	0	118.3
48	D	31.6	Very low	31.8	Very low	158 Å²	158	132.5 Å²	132.5	85%	0.845	79%	0.794	S	S	*	*			trans	-65.4	139	169.3	178.4	28	0	0	0	112.8
49	S	31.8	Very low	32.4	Very low	121 Å²	121	132 Å²	132	85%	0.846	80%	0.801	S	S	*	*			trans	-169.8	147	155.6	-84.2	0	0	0	0	112.4
50	N	33.4	Very low	32.5	Very low	129 Å²	129	130.7 Å²	130.7	69%	0.69	80%	0.804	S	S	*	*			trans	-114.6	175.6	-172.3	-172.8	48.2	0	0	0	112.3
51	D	35	Very low	33	Very low	147 Å²	147	131.9 Å²	131.9	79%	0.786	80%	0.801	S	S	*	*			trans	73.8	135.9	167	-58.1	-59	0	0	0	118
52	G	30.7	Very low	33.5	Very low	79 Å²	79	128.6 Å²	128.6	81%	0.814	79%	0.792	S	S	*	*			trans	157.2	44.7	-177.9	0	0	0	0	0	114.7	D54	G52-D54 PolarHBondContact O-N 3.26Å
53	M	39.9	Very low	34.6	Very low	196 Å²	196	132.9 Å²	132.9	97%	0.966	80%	0.8	S	S	*	*			trans	-88.5	101.3	-178.9	-173.9	175.9	-170.3	0	0	111.1
54	D	32.8	Very low	36.3	Very low	163 Å²	163	128.5 Å²	128.5	87%	0.872	78%	0.782	S	S	*	*			trans	-142.2	151	167	-119.5	-37.2	0	0	0	111.4	G52	G52-D54 PolarHBondContact O-N 3.26Å
55	S	37.9	Very low	38.7	Very low	105 Å²	105	128.5 Å²	128.5	73%	0.734	77%	0.771	S	S	*	*			trans	-100.5	122.5	-169.5	62.6	0	0	0	0	112.6
56	D	31.9	Very low	41.5	Very low	153 Å²	153	125.5 Å²	125.5	82%	0.818	75%	0.753	S	S	*	*			trans	-133.5	110.7	164.2	-131.9	-28.4	0	0	0	111.9	S58	D56-S58 PolarHBondContact O-N 3.01Å; D56-S58 VanDerWaalsContact O-N 3.15Å
57	T	40.1	Very low	44.3	Very low	143 Å²	143	116.2 Å²	116.2	88%	0.877	71%	0.712	S	S	*	*			trans	-89.8	75.9	-174.8	-53.1	0	0	0	0	109.7
58	S	32.8	Very low	47.5	Very low	94 Å²	94	114 Å²	114	66%	0.657	68%	0.683	S	S	*	*			trans	-116.4	127.9	177.1	64.1	0	0	0	0	112.6	D56 S60	D56-S58 PolarHBondContact O-N 3.01Å; D56-S58 VanDerWaalsContact O-N 3.15Å; S58-S60 PolarHBondContact O-N 3.47Å
59	T	41.8	Very low	50.6	Low	144 Å²	144	106.4 Å²	106.4	88%	0.883	64%	0.642	S	S	*	*			trans	-83.1	96.1	-174.2	38	0	0	0	0	111.7	S61	T59-S61 PolarHBondContact O-N 2.75Å
60	S	31.5	Very low	53.8	Low	115 Å²	115	100.7 Å²	100.7	80%	0.804	60%	0.602	S	S	*	*			trans	-90.1	88.1	166.3	44.9	0	0	0	0	110.3	S58 S62	S58-S60 PolarHBondContact O-N 3.47Å; S60-S62 PolarHBondContact O-N 2.77Å
61	S	38.8	Very low	56.8	Low	93 Å²	93	94.6 Å²	94.6	65%	0.65	57%	0.57	S	S	*	*			trans	-65.8	112.4	177.8	55.6	0	0	0	0	111.6	T59 N63	T59-S61 PolarHBondContact O-N 2.75Å; S61-N63 PolarHBondContact O-N 3.43Å; S61-N63 VanDerWaalsContact O-N 3.09Å
62	S	38	Very low	59.8	Low	109 Å²	109	87.7 Å²	87.7	76%	0.762	53%	0.533	S	S	*	.			trans	-64.4	106	161.9	41.2	0	0	0	0	109	S60 S64	S60-S62 PolarHBondContact O-N 2.77Å; S62-S64 PolarHBondContact O-N 3.05Å
63	N	50.8	Low	62.9	Low	153 Å²	153	83.9 Å²	83.9	82%	0.818	49%	0.494	S	S	*	.			trans	-70.7	78	176.4	-85.6	-28.2	0	0	0	110.7	S61	S61-N63 PolarHBondContact O-N 3.43Å; S61-N63 VanDerWaalsContact O-N 3.09Å
64	S	62.9	Low	65.6	Low	62 Å²	62	75.5 Å²	75.5	43%	0.434	45%	0.452	S	S	.	.			trans	-60.5	135.7	159.2	55.1	0	0	0	0	108.8	S62 Q66	S62-S64 PolarHBondContact O-N 3.05Å; S64-Q66 PolarHBondContact O-N 3.48Å
65	K	80	Confident	68.5	Low	121 Å²	121	69.3 Å²	69.3	53%	0.526	42%	0.424	S	S	.	.			trans	-67.3	118.4	174.5	-74.4	-179.6	177.9	177.3	0	108.8	L377 I379	K65-L377 WeakPolarHBondContact CD-O 3.35Å; K65-L377 PolarHBondContact NZ-O 2.76Å; K65-I379 HydrophobicContact CB-CD1 4.27Å; K65-I379 HydrophobicContact CB-CG1 3.78Å; K65-I379 HydrophobicContact CD-CG1 4.4Å; K65-I379 WeakPolarHBondContact O-CD1 3.2Å
66	Q	87.9	Confident	71.1	Confident	76 Å²	76	73.3 Å²	73.3	36%	0.355	43%	0.428	S	S	.	.			trans	-108.7	146.2	174.3	-61.7	-173.4	-54.9	0	0	110.6	S64 E94 K97	S64-Q66 PolarHBondContact O-N 3.48Å; Q66-E94 PolarHBondContact NE2-O 2.87Å; Q66-K97 HydrophobicContact CB-CB 4.17Å
67	V	92.3	Very high	74	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.3	171.4	-172	0	0	0	0	109.3	F95 K97 D118 I369 L370 L373 L377 I379	V67-F95 PolarHBondContact N-O 3.13Å; V67-K97 PolarHBondContact O-N 3.47Å; V67-D118 HydrophobicContact CG1-CB 4.06Å; V67-I369 HydrophobicContact CG1-CG2 3.89Å; V67-L370 HydrophobicContact CG2-CD2 3.77Å; V67-L373 HydrophobicContact CG1-CB 4.09Å; V67-L373 HydrophobicContact CG1-CD1 3.47Å; V67-L373 VanDerWaalsContact CG1-CD1 3.47Å; V67-L373 HydrophobicContact CG1-CG 4.44Å; V67-L373 HydrophobicContact CG2-CB 4.36Å; V67-L377 HydrophobicContact CB-CD1 4.44Å; V67-L377 HydrophobicContact CG1-CD1 4.34Å; V67-L377 HydrophobicContact CG2-CD1 3.91Å; V67-I379 HydrophobicContact CG2-CD1 3.58Å
68	V	95.8	Very high	76.5	Confident	32 Å²	32	62.8 Å²	62.8	19%	0.194	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.8	178.4	-174.6	0	0	0	0	110	K97 V99 C117 D118 C119	V68-K97 CarbonylContact C-O 3.53Å; V68-K97 WeakPolarHBondContact CA-O 3.42Å; V68-V99 HydrophobicContact CG1-CB 4.36Å; V68-V99 HydrophobicContact CG1-CG2 3.65Å; V68-C117 HydrophobicContact CB-CB 4.45Å; V68-C117 HydrophobicContact CG1-CB 3.99Å; V68-C117 WeakPolarHBondContact O-CB 3.37Å; V68-D118 WeakPolarHBondContact CB-OD2 3.48Å; V68-D118 PolarHBondContact N-OD2 3.02Å; V68-D118 PolarHBondContact O-N 2.91Å; V68-C119 PolarHBondContact O-N 2.77Å
69	V	97.3	Very high	79.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	110	179.3	-176	0	0	0	0	109.7	I71 I96 K97 L98 V99 C119 V121 I369	V69-I71 HydrophobicContact CG1-CD1 4.01Å; V69-I96 HydrophobicContact CB-CG2 4.49Å; V69-I96 HydrophobicContact CG2-CG2 3.77Å; V69-K97 PolarHBondContact N-O 3.44Å; V69-L98 HydrophobicContact CB-CD2 3.89Å; V69-L98 HydrophobicContact CG1-CD2 4.37Å; V69-L98 HydrophobicContact CG2-CD2 4.47Å; V69-V99 PolarHBondContact O-N 2.87Å; V69-C119 CarbonylContact C-O 3.6Å; V69-C119 WeakPolarHBondContact CA-O 3.42Å; V69-C119 HydrophobicContact CG1-CB 4.39Å; V69-C119 HydrophobicContact CG2-CB 4.12Å; V69-V121 HydrophobicContact CG1-CG2 3.87Å; V69-I369 HydrophobicContact CG1-CD1 4.2Å; V69-I369 HydrophobicContact CG2-CD1 4.13Å; V69-I369 HydrophobicContact CG2-CG2 3.98Å
70	G	97.3	Very high	81.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.3	179.3	0	0	0	0	0	112.2	V99 C119 V121	G70-V99 CarbonylContact C-O 3.58Å; G70-V99 WeakPolarHBondContact CA-O 3.46Å; G70-C119 PolarHBondContact N-O 2.88Å; G70-V121 PolarHBondContact O-N 2.77Å
71	I	97.5	Very high	84.7	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	102.5	176	-45	-57	0	0	0	108.7	V69 T78 M83 L87 V99 F101 V121	V69-I71 HydrophobicContact CG1-CD1 4.01Å; I71-T78 HydrophobicContact CG2-CG2 4.05Å; I71-M83 HydrophobicContact CG2-CE 4.4Å; I71-M83 HydrophobicContact CG2-SD 4.38Å; I71-L87 HydrophobicContact CD1-CD2 3.69Å; I71-L87 HydrophobicContact CG1-CD1 4.14Å; I71-L87 HydrophobicContact CG1-CD2 3.84Å; I71-V99 PolarHBondContact N-O 3.01Å; I71-F101 PolarHBondContact O-N 3.36Å; I71-V121 WeakPolarHBondContact CA-O 3.31Å; I71-V121 HydrophobicContact CD1-CB 3.83Å; I71-V121 HydrophobicContact CD1-CG1 4.46Å; I71-V121 HydrophobicContact CD1-CG2 4.02Å
72	C	97.4	Very high	87.3	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	92.6	-176.1	-176.9	0	0	0	0	111.2	F101 L120 V121 S122	C72-F101 HydrophobicContact CB-CB 4.37Å; C72-F101 HydrophobicContact CB-CD2 3.66Å; C72-F101 HydrophobicContact CB-CE2 4.04Å; C72-F101 HydrophobicContact CB-CG 4.06Å; C72-L120 HydrophobicContact CB-CD1 3.9Å; C72-V121 PolarHBondContact N-O 2.87Å; C72-S122 VanDerWaalsContact O-CA 3.25Å; C72-S122 WeakPolarHBondContact O-CA 3.45Å; C72-S122 VanDerWaalsContact O-CB 3.28Å; C72-S122 WeakPolarHBondContact O-CB 3.37Å; C72-S122 PolarHBondContact O-OG 3.04Å
73	A	96.6	Very high	89.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-154.8	165.7	174.8	0	0	0	0	0	110.1	K77 T78 I106 F123	A73-K77 HydrophobicContact CB-CB 4.27Å; A73-T78 HydrophobicContact CB-CG2 4.06Å; A73-T78 WeakPolarHBondContact O-CG2 3.41Å; A73-I106 WeakPolarHBondContact O-CD1 3.43Å; A73-F123 HydrophobicContact CB-CD1 4.2Å; A73-F123 HydrophobicContact CB-CD2 4.27Å; A73-F123 HydrophobicContact CB-CE1 3.73Å; A73-F123 HydrophobicContact CB-CE2 3.82Å; A73-F123 HydrophobicContact CB-CG 4.45Å; A73-F123 HydrophobicContact CB-CZ 3.52Å
74	M	96.3	Very high	92	Very high	20 Å²	20	47.8 Å²	47.8	10%	0.099	24%	0.235	C	C	.	.			trans	-55.2	146.1	177.3	-56.1	-56.8	-77.7	0	0	112	K76 K77 T78 E103 L107 G127 F128	M74-K76 PolarHBondContact O-N 3.33Å; M74-K76 VanDerWaalsContact O-N 3.12Å; M74-K77 WeakPolarHBondContact O-CA 3.37Å; M74-K77 WeakPolarHBondContact O-CB 3.25Å; M74-K77 PolarHBondContact O-N 3.09Å; M74-T78 PolarHBondContact O-N 2.87Å; M74-E103 WeakPolarHBondContact CA-OE2 3.43Å; M74-E103 WeakPolarHBondContact CB-OE2 3.48Å; M74-E103 HydrophobicContact CE-CG 3.99Å; M74-E103 WeakPolarHBondContact CE-OE2 3.36Å; M74-E103 HydrophobicContact SD-CG 4.39Å; M74-L107 HydrophobicContact CE-CD1 4.36Å; M74-L107 HydrophobicContact CE-CD2 4.3Å; M74-G127 WeakPolarHBondContact CE-O 3.39Å; M74-F128 HydrophobicContact CG-CB 3.87Å; M74-F128 HydrophobicContact CG-CD2 4.16Å; M74-F128 HydrophobicContact SD-CB 3.94Å; M74-F128 HydrophobicContact SD-CD2 3.9Å; M74-F128 HydrophobicContact SD-CG 4.44Å
75	A	92.8	Very high	93.5	Very high	32 Å²	32	47 Å²	47	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-53.3	-37.2	-179.2	0	0	0	0	0	112.4	K77 T78 Q79 E103	A75-K77 PolarHBondContact O-N 3.37Å; A75-T78 WeakPolarHBondContact CA-OG1 3.35Å; A75-T78 PolarHBondContact O-N 2.67Å; A75-T78 PolarHBondContact O-OG1 3.13Å; A75-Q79 WeakPolarHBondContact O-CB 3.49Å; A75-Q79 WeakPolarHBondContact O-CG 3.34Å; A75-Q79 PolarHBondContact O-N 2.88Å; A75-E103 HydrophobicContact CB-CB 4.05Å; A75-E103 WeakPolarHBondContact CB-OE2 3.3Å; A75-E103 PolarHBondContact N-OE2 2.87Å
76	K	92.7	Very high	94.2	Very high	190 Å²	190	41.3 Å²	41.3	83%	0.826	20%	0.2	S	C	*	.	H	α-helix	trans	-59.8	-24.5	175	-170.2	172.2	-174.3	170.4	0	113.9	M74	M74-K76 PolarHBondContact O-N 3.33Å; M74-K76 VanDerWaalsContact O-N 3.12Å
77	K	93.8	Very high	94.5	Very high	65 Å²	65	38.9 Å²	38.9	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-92.1	-49	174	-64.3	-69.6	-161.2	81.5	0	110.9	A73 M74 A75 Q79 S80 F123 S125	A73-K77 HydrophobicContact CB-CB 4.27Å; M74-K77 WeakPolarHBondContact O-CA 3.37Å; M74-K77 WeakPolarHBondContact O-CB 3.25Å; M74-K77 PolarHBondContact O-N 3.09Å; A75-K77 PolarHBondContact O-N 3.37Å; K77-Q79 PolarHBondContact O-N 2.59Å; K77-S80 VanDerWaalsContact O-CB 3.28Å; K77-S80 WeakPolarHBondContact O-CB 2.87Å; K77-S80 PolarHBondContact O-N 2.71Å; K77-S80 PolarHBondContact O-OG 3.07Å; K77-F123 HydrophobicContact CB-CE2 3.7Å; K77-F123 HydrophobicContact CB-CZ 3.88Å; K77-F123 HydrophobicContact CD-CE2 3.97Å; K77-F123 HydrophobicContact CG-CE2 3.72Å; K77-F123 HydrophobicContact CG-CZ 4.42Å; K77-S125 WeakPolarHBondContact CE-OG 3.24Å
78	T	92.6	Very high	94.5	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.055	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-38	-176.7	60.3	0	0	0	0	112.6	I71 A73 M74 A75 S80 M83 T100	I71-T78 HydrophobicContact CG2-CG2 4.05Å; A73-T78 HydrophobicContact CB-CG2 4.06Å; A73-T78 WeakPolarHBondContact O-CG2 3.41Å; M74-T78 PolarHBondContact O-N 2.87Å; A75-T78 WeakPolarHBondContact CA-OG1 3.35Å; A75-T78 PolarHBondContact O-N 2.67Å; A75-T78 PolarHBondContact O-OG1 3.13Å; T78-S80 VanDerWaalsContact C-N 3.28Å; T78-S80 PolarHBondContact O-N 2.75Å; T78-M83 WeakPolarHBondContact O-CG 3.3Å; T78-T100 HydrophobicContact CG2-CG2 4.02Å
79	Q	92.7	Very high	94.3	Very high	108 Å²	108	43.7 Å²	43.7	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.2	177.6	-59.8	-66.7	-27.1	0	0	114	A75 K77 K84	A75-Q79 WeakPolarHBondContact O-CB 3.49Å; A75-Q79 WeakPolarHBondContact O-CG 3.34Å; A75-Q79 PolarHBondContact O-N 2.88Å; K77-Q79 PolarHBondContact O-N 2.59Å; Q79-K84 WeakPolarHBondContact O-CE 3.47Å
80	S	93	Very high	93.9	Very high	40 Å²	40	43.9 Å²	43.9	28%	0.28	22%	0.215	S	C	.	.	S	Bend	trans	-71.5	146.7	-179.5	73.3	0	0	0	0	112.2	K77 T78 M83 K84	K77-S80 VanDerWaalsContact O-CB 3.28Å; K77-S80 WeakPolarHBondContact O-CB 2.87Å; K77-S80 PolarHBondContact O-N 2.71Å; K77-S80 PolarHBondContact O-OG 3.07Å; T78-S80 VanDerWaalsContact C-N 3.28Å; T78-S80 PolarHBondContact O-N 2.75Å; S80-M83 PolarHBondContact O-N 3.03Å; S80-M83 VanDerWaalsContact O-N 3.1Å; S80-K84 PolarHBondContact O-N 3.28Å
81	K	92.1	Very high	93.5	Very high	126 Å²	126	45.9 Å²	45.9	55%	0.548	24%	0.235	S	C	.	.	H	α-helix	trans	-51.8	-48.5	-178.2	-178.9	172.9	-178.7	177.7	0	113.6	M83 K84 E85	K81-M83 VanDerWaalsContact C-N 3.31Å; K81-M83 PolarHBondContact O-N 3.26Å; K81-K84 PolarHBondContact O-N 3.07Å; K81-E85 WeakPolarHBondContact CE-OE1 3.04Å; K81-E85 HydrophobicContact CG-CG 3.98Å; K81-E85 IonicContact NZ-OE1 2.65Å; K81-E85 PolarHBondContact NZ-OE1 2.79Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 3.44Å
82	P	93.1	Very high	93.1	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-39.7	178.9	-23.7	34.3	0	0	0	113.2	I86 F350 K352 Y358	P82-I86 WeakPolarHBondContact O-CB 3.07Å; P82-I86 WeakPolarHBondContact O-CD1 3.27Å; P82-I86 WeakPolarHBondContact O-CG1 3.47Å; P82-I86 PolarHBondContact O-N 3.15Å; P82-I86 VanDerWaalsContact O-N 3.12Å; P82-F350 HydrophobicContact CB-CB 3.99Å; P82-F350 HydrophobicContact CB-CD2 4.2Å; P82-K352 HydrophobicContact CG-CB 4.4Å; P82-K352 HydrophobicContact CG-CG 3.9Å; P82-Y358 HydrophobicContact CB-CE1 3.9Å
83	M	93.9	Very high	92.5	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-46.8	176.8	-176.7	68.2	74.8	0	0	110.8	I71 T78 S80 K81 E85 I86 L87 F123 F348 F350	I71-M83 HydrophobicContact CG2-CE 4.4Å; I71-M83 HydrophobicContact CG2-SD 4.38Å; T78-M83 WeakPolarHBondContact O-CG 3.3Å; S80-M83 PolarHBondContact O-N 3.03Å; S80-M83 VanDerWaalsContact O-N 3.1Å; K81-M83 VanDerWaalsContact C-N 3.31Å; K81-M83 PolarHBondContact O-N 3.26Å; M83-E85 PolarHBondContact O-N 2.84Å; M83-I86 PolarHBondContact O-N 3.39Å; M83-L87 HydrophobicContact CG-CD1 3.62Å; M83-L87 HydrophobicContact CG-CG 3.97Å; M83-L87 WeakPolarHBondContact O-CB 3.34Å; M83-L87 VanDerWaalsContact O-CG 3.29Å; M83-L87 WeakPolarHBondContact O-CG 3.49Å; M83-L87 PolarHBondContact O-N 3.22Å; M83-L87 HydrophobicContact SD-CD1 3.82Å; M83-L87 HydrophobicContact SD-CD2 4.1Å; M83-L87 HydrophobicContact SD-CG 3.78Å; M83-F123 HydrophobicContact CE-CE1 3.71Å; M83-F123 HydrophobicContact CE-CZ 3.64Å; M83-F348 HydrophobicContact CE-CE1 4.03Å; M83-F348 HydrophobicContact CE-CZ 4.11Å; M83-F350 HydrophobicContact CE-CE2 3.78Å; M83-F350 HydrophobicContact CE-CZ 4.5Å; M83-F350 HydrophobicContact SD-CE2 3.84Å; M83-F350 HydrophobicContact SD-CZ 4.5Å
84	K	94.1	Very high	91.9	Very high	102 Å²	102	61.1 Å²	61.1	44%	0.443	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-47	177.9	-68	-170.1	176.7	-169.8	0	112.2	Q79 S80 K81 I86 L87 T88	Q79-K84 WeakPolarHBondContact O-CE 3.47Å; S80-K84 PolarHBondContact O-N 3.28Å; K81-K84 PolarHBondContact O-N 3.07Å; K84-I86 VanDerWaalsContact C-N 3.31Å; K84-I86 PolarHBondContact O-N 2.66Å; K84-L87 PolarHBondContact O-N 2.82Å; K84-T88 WeakPolarHBondContact O-CB 3.17Å; K84-T88 PolarHBondContact O-N 3.16Å; K84-T88 PolarHBondContact O-OG1 2.95Å; K84-T88 VanDerWaalsContact O-OG1 3.14Å
85	E	94.5	Very high	91.5	Very high	45 Å²	45	61.8 Å²	61.8	21%	0.21	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-40.6	178.5	-68.3	-90.3	-169.5	0	0	112.5	K81 M83 R89 Y358	K81-E85 WeakPolarHBondContact CE-OE1 3.04Å; K81-E85 HydrophobicContact CG-CG 3.98Å; K81-E85 IonicContact NZ-OE1 2.65Å; K81-E85 PolarHBondContact NZ-OE1 2.79Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 3.44Å; M83-E85 PolarHBondContact O-N 2.84Å; E85-R89 VanDerWaalsContact O-CD 3.29Å; E85-R89 WeakPolarHBondContact O-CD 3.35Å; E85-R89 WeakPolarHBondContact O-CG 3.25Å; E85-R89 PolarHBondContact O-NH1 3.01Å; E85-R89 IonicContact OE2-CZ 2.7Å; E85-R89 IonicContact OE2-NH1 3.85Å; E85-R89 PolarHBondContact OE2-NH1 2.85Å; E85-R89 IonicContact OE2-NH2 3.35Å; E85-Y358 HydrophobicContact CB-CD1 4.23Å; E85-Y358 HydrophobicContact CB-CD2 3.39Å; E85-Y358 HydrophobicContact CB-CE1 4.5Å; E85-Y358 HydrophobicContact CB-CE2 3.7Å; E85-Y358 HydrophobicContact CB-CG 3.69Å; E85-Y358 HydrophobicContact CG-CD2 3.72Å; E85-Y358 HydrophobicContact CG-CE2 3.56Å; E85-Y358 HydrophobicContact CG-CG 4.47Å
86	I	94.2	Very high	91.5	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-75.8	-42.2	178.5	-70	165.7	0	0	0	111.5	P82 M83 K84 R89 L90 F350 Y357 Y358 C361 A362	P82-I86 WeakPolarHBondContact O-CB 3.07Å; P82-I86 WeakPolarHBondContact O-CD1 3.27Å; P82-I86 WeakPolarHBondContact O-CG1 3.47Å; P82-I86 PolarHBondContact O-N 3.15Å; P82-I86 VanDerWaalsContact O-N 3.12Å; M83-I86 PolarHBondContact O-N 3.39Å; K84-I86 VanDerWaalsContact C-N 3.31Å; K84-I86 PolarHBondContact O-N 2.66Å; I86-R89 PolarHBondContact O-N 2.9Å; I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 PolarHBondContact O-N 3.04Å; I86-F350 HydrophobicContact CD1-CD1 3.78Å; I86-F350 HydrophobicContact CD1-CD2 3.75Å; I86-F350 HydrophobicContact CD1-CE1 3.7Å; I86-F350 HydrophobicContact CD1-CE2 3.67Å; I86-F350 HydrophobicContact CD1-CG 3.8Å; I86-F350 HydrophobicContact CD1-CZ 3.63Å; I86-F350 HydrophobicContact CG2-CZ 4.34Å; I86-Y357 HydrophobicContact CD1-CE1 4.2Å; I86-Y358 HydrophobicContact CD1-CD1 4.07Å; I86-Y358 HydrophobicContact CG1-CD1 3.93Å; I86-Y358 HydrophobicContact CG1-CG 4.31Å; I86-C361 HydrophobicContact CD1-CB 4.14Å; I86-C361 HydrophobicContact CG1-CB 4.41Å; I86-A362 HydrophobicContact CG2-CB 4.19Å
87	L	93.7	Very high	91.6	Very high	25 Å²	25	56.9 Å²	56.9	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-68.2	-37.4	179.8	-68.6	-177.9	0	0	0	112.4	I71 M83 K84 R89 L90 G91 L98	I71-L87 HydrophobicContact CD1-CD2 3.69Å; I71-L87 HydrophobicContact CG1-CD1 4.14Å; I71-L87 HydrophobicContact CG1-CD2 3.84Å; M83-L87 HydrophobicContact CG-CD1 3.62Å; M83-L87 HydrophobicContact CG-CG 3.97Å; M83-L87 WeakPolarHBondContact O-CB 3.34Å; M83-L87 VanDerWaalsContact O-CG 3.29Å; M83-L87 WeakPolarHBondContact O-CG 3.49Å; M83-L87 PolarHBondContact O-N 3.22Å; M83-L87 HydrophobicContact SD-CD1 3.82Å; M83-L87 HydrophobicContact SD-CD2 4.1Å; M83-L87 HydrophobicContact SD-CG 3.78Å; K84-L87 PolarHBondContact O-N 2.82Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.34Å; L87-L90 HydrophobicContact CD2-CD2 4.41Å; L87-L90 PolarHBondContact O-N 2.97Å; L87-G91 PolarHBondContact O-N 3.37Å; L87-L98 HydrophobicContact CB-CD1 3.99Å; L87-L98 HydrophobicContact CD2-CD1 4.12Å; L87-L98 WeakPolarHBondContact O-CD1 3.48Å
88	T	93.6	Very high	91.7	Very high	91 Å²	91	56.3 Å²	56.3	56%	0.558	28%	0.281	S	S	*	.	H	α-helix	trans	-55.8	-50.3	173.4	-67.2	0	0	0	0	110.8	K84 G91 E92	K84-T88 WeakPolarHBondContact O-CB 3.17Å; K84-T88 PolarHBondContact O-N 3.16Å; K84-T88 PolarHBondContact O-OG1 2.95Å; K84-T88 VanDerWaalsContact O-OG1 3.14Å; T88-G91 PolarHBondContact O-N 2.95Å; T88-E92 PolarHBondContact O-N 2.85Å
89	R	91.2	Very high	91.9	Very high	42 Å²	42	57.7 Å²	57.7	16%	0.158	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-38.5	177.9	-67	163.7	170.6	77.6	-1.3	113.4	E85 I86 L87 G91 E92 Y358 D359 A362	E85-R89 VanDerWaalsContact O-CD 3.29Å; E85-R89 WeakPolarHBondContact O-CD 3.35Å; E85-R89 WeakPolarHBondContact O-CG 3.25Å; E85-R89 PolarHBondContact O-NH1 3.01Å; E85-R89 IonicContact OE2-CZ 2.7Å; E85-R89 IonicContact OE2-NH1 3.85Å; E85-R89 PolarHBondContact OE2-NH1 2.85Å; E85-R89 IonicContact OE2-NH2 3.35Å; I86-R89 PolarHBondContact O-N 2.9Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.34Å; R89-G91 PolarHBondContact O-N 3.49Å; R89-E92 WeakPolarHBondContact O-CB 3.42Å; R89-E92 PolarHBondContact O-N 3.01Å; R89-E92 VanDerWaalsContact O-N 3.16Å; R89-Y358 WeakPolarHBondContact CD-O 3.18Å; R89-D359 IonicContact CZ-OD1 3.81Å; R89-D359 IonicContact NE-OD1 3.22Å; R89-D359 PolarHBondContact NE-OD1 3.35Å; R89-D359 IonicContact NH2-OD1 2.79Å; R89-D359 PolarHBondContact NH2-OD1 3.01Å; R89-A362 HydrophobicContact CB-CB 3.42Å; R89-A362 VanDerWaalsContact CB-CB 3.42Å; R89-A362 HydrophobicContact CG-CB 4.47Å
90	L	89.7	Confident	92.1	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-26.9	177.5	-170.8	64.6	0	0	0	111.8	I86 L87 E92 F93 I96 L98 A362	I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 PolarHBondContact O-N 3.04Å; L87-L90 HydrophobicContact CD2-CD2 4.41Å; L87-L90 PolarHBondContact O-N 2.97Å; L90-E92 VanDerWaalsContact C-N 3.33Å; L90-F93 HydrophobicContact CD1-CD2 4.44Å; L90-I96 HydrophobicContact CD1-CD1 3.86Å; L90-I96 HydrophobicContact CG-CD1 4.47Å; L90-I96 HydrophobicContact CG-CG2 4.4Å; L90-L98 HydrophobicContact CB-CD1 4.36Å; L90-L98 HydrophobicContact CD2-CD2 3.88Å; L90-L98 HydrophobicContact CG-CD2 4.03Å; L90-A362 HydrophobicContact CB-CB 4.46Å; L90-A362 WeakPolarHBondContact CD1-O 3.38Å
91	G	88.1	Confident	92.2	Very high	41 Å²	41	53.4 Å²	53.4	42%	0.423	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.3	172.4	0	0	0	0	0	115.2	L87 T88 R89 F93	L87-G91 PolarHBondContact O-N 3.37Å; T88-G91 PolarHBondContact O-N 2.95Å; R89-G91 PolarHBondContact O-N 3.49Å; G91-F93 VanDerWaalsContact C-N 3.3Å
92	E	88.6	Confident	92.4	Very high	145 Å²	145	53.1 Å²	53.1	68%	0.678	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.3	171.9	-66.6	163.4	-168.7	0	0	112.2	T88 R89 L90 E94	T88-E92 PolarHBondContact O-N 2.85Å; R89-E92 WeakPolarHBondContact O-CB 3.42Å; R89-E92 PolarHBondContact O-N 3.01Å; R89-E92 VanDerWaalsContact O-N 3.16Å; L90-E92 VanDerWaalsContact C-N 3.33Å; E92-E94 PolarHBondContact O-N 2.93Å
93	F	84.4	Confident	92.5	Very high	45 Å²	45	55.3 Å²	55.3	20%	0.197	28%	0.279	C	S	.	.	S	Bend	trans	-76.6	116	174.3	-80.2	-103.8	0	0	0	111	L90 G91 F95 I96 L370	L90-F93 HydrophobicContact CD1-CD2 4.44Å; G91-F93 VanDerWaalsContact C-N 3.3Å; F93-F95 PolarHBondContact O-N 3.39Å; F93-I96 HydrophobicContact CB-CB 3.88Å; F93-I96 HydrophobicContact CB-CD1 3.73Å; F93-I96 HydrophobicContact CB-CG1 3.77Å; F93-I96 HydrophobicContact CD1-CD1 4.2Å; F93-I96 HydrophobicContact CD2-CD1 4.4Å; F93-I96 HydrophobicContact CG-CD1 3.89Å; F93-I96 HydrophobicContact CG-CG1 4.45Å; F93-I96 PolarHBondContact O-N 3.32Å; F93-L370 HydrophobicContact CD1-CD1 3.63Å; F93-L370 HydrophobicContact CE1-CD1 4.16Å
94	E	85.2	Confident	92.5	Very high	133 Å²	133	59.7 Å²	59.7	62%	0.621	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.3	-43.2	179	-177.5	-177.8	179.6	0	0	114.5	Q66 E92	Q66-E94 PolarHBondContact NE2-O 2.87Å; E92-E94 PolarHBondContact O-N 2.93Å
95	F	88.3	Confident	92.5	Very high	34 Å²	34	56.7 Å²	56.7	15%	0.149	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	10.2	-176.5	-57.7	-75.9	0	0	0	114.3	V67 F93 L370 I379 W381	V67-F95 PolarHBondContact N-O 3.13Å; F93-F95 PolarHBondContact O-N 3.39Å; F95-L370 HydrophobicContact CB-CD2 3.73Å; F95-I379 HydrophobicContact CD1-CG2 3.52Å; F95-I379 HydrophobicContact CE1-CG2 3.93Å; F95-I379 HydrophobicContact CG-CG2 4.09Å; F95-W381 AromaticContact CD2-CD1 3.74Å
96	I	92.8	Very high	92.6	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	-179.9	-62.5	-176.4	0	0	0	110.9	V69 L90 F93 L98 L370	V69-I96 HydrophobicContact CB-CG2 4.49Å; V69-I96 HydrophobicContact CG2-CG2 3.77Å; L90-I96 HydrophobicContact CD1-CD1 3.86Å; L90-I96 HydrophobicContact CG-CD1 4.47Å; L90-I96 HydrophobicContact CG-CG2 4.4Å; F93-I96 HydrophobicContact CB-CB 3.88Å; F93-I96 HydrophobicContact CB-CD1 3.73Å; F93-I96 HydrophobicContact CB-CG1 3.77Å; F93-I96 HydrophobicContact CD1-CD1 4.2Å; F93-I96 HydrophobicContact CD2-CD1 4.4Å; F93-I96 HydrophobicContact CG-CD1 3.89Å; F93-I96 HydrophobicContact CG-CG1 4.45Å; F93-I96 PolarHBondContact O-N 3.32Å; I96-L98 HydrophobicContact CG2-CD2 3.67Å; I96-L98 HydrophobicContact CG2-CG 4.43Å; I96-L370 HydrophobicContact CD1-CD1 4.14Å; I96-L370 HydrophobicContact CD1-CD2 4.48Å; I96-L370 HydrophobicContact CD1-CG 4.08Å; I96-L370 HydrophobicContact CG1-CD1 4.2Å; I96-L370 HydrophobicContact CG1-CD2 3.95Å; I96-L370 HydrophobicContact CG1-CG 4.09Å
97	K	94.6	Very high	92.7	Very high	114 Å²	114	58.1 Å²	58.1	50%	0.496	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.4	173.9	-177.5	170.9	-179.5	173.1	0	110.3	Q66 V67 V68 V69	Q66-K97 HydrophobicContact CB-CB 4.17Å; V67-K97 PolarHBondContact O-N 3.47Å; V68-K97 CarbonylContact C-O 3.53Å; V68-K97 WeakPolarHBondContact CA-O 3.42Å; V69-K97 PolarHBondContact N-O 3.44Å
98	L	95.6	Very high	92.7	Very high	52 Å²	52	66.1 Å²	66.1	27%	0.272	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.7	-177.6	-56.6	-175.1	0	0	0	112.2	V69 L87 L90 I96	V69-L98 HydrophobicContact CB-CD2 3.89Å; V69-L98 HydrophobicContact CG1-CD2 4.37Å; V69-L98 HydrophobicContact CG2-CD2 4.47Å; L87-L98 HydrophobicContact CB-CD1 3.99Å; L87-L98 HydrophobicContact CD2-CD1 4.12Å; L87-L98 WeakPolarHBondContact O-CD1 3.48Å; L90-L98 HydrophobicContact CB-CD1 4.36Å; L90-L98 HydrophobicContact CD2-CD2 3.88Å; L90-L98 HydrophobicContact CG-CD2 4.03Å; I96-L98 HydrophobicContact CG2-CD2 3.67Å; I96-L98 HydrophobicContact CG2-CG 4.43Å
99	V	96.3	Very high	92.8	Very high	38 Å²	38	65.5 Å²	65.5	23%	0.23	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	112.7	174	178	0	0	0	0	108.7	V68 V69 G70 I71 F101 P115	V68-V99 HydrophobicContact CG1-CB 4.36Å; V68-V99 HydrophobicContact CG1-CG2 3.65Å; V69-V99 PolarHBondContact O-N 2.87Å; G70-V99 CarbonylContact C-O 3.58Å; G70-V99 WeakPolarHBondContact CA-O 3.46Å; I71-V99 PolarHBondContact N-O 3.01Å; V99-F101 HydrophobicContact CG1-CD1 4.23Å; V99-F101 HydrophobicContact CG1-CE1 4.23Å; V99-P115 HydrophobicContact CG1-CB 3.72Å; V99-P115 HydrophobicContact CG1-CG 4.21Å
100	T	96.4	Very high	93	Very high	57 Å²	57	66.4 Å²	66.4	35%	0.35	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.9	173	-59.2	0	0	0	0	109.6	T78	T78-T100 HydrophobicContact CG2-CG2 4.02Å
101	F	96.9	Very high	93.3	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.009	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-84.7	126.9	179.8	-67.7	20.9	0	0	0	108.5	I71 C72 V99 I106 W114 P115 L120 Y136	I71-F101 PolarHBondContact O-N 3.36Å; C72-F101 HydrophobicContact CB-CB 4.37Å; C72-F101 HydrophobicContact CB-CD2 3.66Å; C72-F101 HydrophobicContact CB-CE2 4.04Å; C72-F101 HydrophobicContact CB-CG 4.06Å; V99-F101 HydrophobicContact CG1-CD1 4.23Å; V99-F101 HydrophobicContact CG1-CE1 4.23Å; F101-I106 HydrophobicContact CB-CD1 3.94Å; F101-I106 HydrophobicContact CB-CG1 3.92Å; F101-W114 HydrophobicContact CD2-CB 4.44Å; F101-W114 HydrophobicContact CD2-CD2 4.42Å; F101-W114 AromaticContact CD2-CE3 3.92Å; F101-W114 HydrophobicContact CD2-CE3 3.92Å; F101-W114 HydrophobicContact CE2-CB 4.22Å; F101-W114 AromaticContact CE2-CE3 3.9Å; F101-W114 HydrophobicContact CE2-CE3 3.9Å; F101-P115 HydrophobicContact CD1-CB 4.12Å; F101-P115 HydrophobicContact CD1-CG 3.92Å; F101-P115 HydrophobicContact CE1-CB 3.82Å; F101-P115 HydrophobicContact CE1-CG 4.11Å; F101-P115 HydrophobicContact CG-CG 4.27Å; F101-P115 HydrophobicContact CZ-CB 4.29Å; F101-P115 WeakPolarHBondContact CZ-O 3.46Å; F101-L120 HydrophobicContact CZ-CD1 4.48Å; F101-Y136 HydrophobicContact CE2-CE1 4.22Å; F101-Y136 HydrophobicContact CE2-CE2 4.01Å; F101-Y136 AromaticContact CE2-CZ 3.87Å; F101-Y136 HydrophobicContact CZ-CE1 4.29Å; F101-Y136 HydrophobicContact CZ-CE2 4.27Å; F101-Y136 AromaticContact CZ-CZ 3.8Å
102	E	95.4	Very high	93.6	Very high	119 Å²	119	69.6 Å²	69.6	56%	0.556	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-67.4	139.4	-179.4	-78.1	-60.3	154.1	0	0	112.1	N104 V105 I106	E102-N104 PolarHBondContact O-N 3.49Å; E102-V105 HydrophobicContact CB-CB 4.41Å; E102-V105 HydrophobicContact CB-CG2 4.04Å; E102-V105 WeakPolarHBondContact O-CA 3.45Å; E102-V105 WeakPolarHBondContact O-CB 3.42Å; E102-V105 PolarHBondContact O-N 2.99Å; E102-I106 WeakPolarHBondContact O-CG1 3.26Å; E102-I106 PolarHBondContact O-N 3.44Å
103	E	94.3	Very high	94	Very high	61 Å²	61	67.4 Å²	67.4	29%	0.285	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-33.7	-175.6	-175.3	173.7	98.1	0	0	112.1	M74 A75 V105 I106 L107	M74-E103 WeakPolarHBondContact CA-OE2 3.43Å; M74-E103 WeakPolarHBondContact CB-OE2 3.48Å; M74-E103 HydrophobicContact CE-CG 3.99Å; M74-E103 WeakPolarHBondContact CE-OE2 3.36Å; M74-E103 HydrophobicContact SD-CG 4.39Å; A75-E103 HydrophobicContact CB-CB 4.05Å; A75-E103 WeakPolarHBondContact CB-OE2 3.3Å; A75-E103 PolarHBondContact N-OE2 2.87Å; E103-V105 VanDerWaalsContact C-N 3.33Å; E103-V105 PolarHBondContact O-N 2.75Å; E103-I106 PolarHBondContact O-N 2.98Å; E103-L107 HydrophobicContact CG-CD1 3.89Å; E103-L107 HydrophobicContact CG-CG 4.3Å; E103-L107 WeakPolarHBondContact O-CB 3.14Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.34Å; E103-L107 PolarHBondContact O-N 2.86Å
104	N	94.3	Very high	94.6	Very high	96 Å²	96	65.4 Å²	65.4	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-34.9	172.9	-78.1	-53.7	0	0	0	112.8	E102 R108	E102-N104 PolarHBondContact O-N 3.49Å; N104-R108 VanDerWaalsContact O-CB 3.23Å; N104-R108 WeakPolarHBondContact O-CB 3.22Å; N104-R108 WeakPolarHBondContact O-CG 3.44Å; N104-R108 PolarHBondContact O-N 3.22Å; N104-R108 PolarHBondContact OD1-NE 3.4Å
105	V	95.2	Very high	95.1	Very high	39 Å²	39	61.3 Å²	61.3	24%	0.236	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-47.9	176.2	176.1	0	0	0	0	109.7	E102 E103 L107 E109 W114	E102-V105 HydrophobicContact CB-CB 4.41Å; E102-V105 HydrophobicContact CB-CG2 4.04Å; E102-V105 WeakPolarHBondContact O-CA 3.45Å; E102-V105 WeakPolarHBondContact O-CB 3.42Å; E102-V105 PolarHBondContact O-N 2.99Å; E103-V105 VanDerWaalsContact C-N 3.33Å; E103-V105 PolarHBondContact O-N 2.75Å; V105-L107 VanDerWaalsContact C-N 3.3Å; V105-L107 PolarHBondContact O-N 3.28Å; V105-E109 HydrophobicContact CB-CB 4.46Å; V105-E109 HydrophobicContact CB-CG 4.32Å; V105-E109 HydrophobicContact CG1-CB 3.94Å; V105-E109 HydrophobicContact CG1-CG 4.14Å; V105-E109 HydrophobicContact CG2-CG 4.29Å; V105-E109 WeakPolarHBondContact O-CB 3.3Å; V105-E109 PolarHBondContact O-N 3.08Å; V105-W114 HydrophobicContact CG1-CG 4.16Å; V105-W114 PolarHBondContact O-NE1 3.27Å; V105-W114 VanDerWaalsContact O-NE1 3.16Å
106	I	96	Very high	95.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-54.7	-46.1	176.5	-63.8	171	0	0	0	111	A73 F101 E102 E103 W114 F128 P129 K132	A73-I106 WeakPolarHBondContact O-CD1 3.43Å; F101-I106 HydrophobicContact CB-CD1 3.94Å; F101-I106 HydrophobicContact CB-CG1 3.92Å; E102-I106 WeakPolarHBondContact O-CG1 3.26Å; E102-I106 PolarHBondContact O-N 3.44Å; E103-I106 PolarHBondContact O-N 2.98Å; I106-W114 HydrophobicContact CB-CZ2 4.48Å; I106-W114 HydrophobicContact CG2-CH2 4.25Å; I106-W114 HydrophobicContact CG2-CZ2 4.36Å; I106-W114 VanDerWaalsContact O-CZ2 3.29Å; I106-W114 WeakPolarHBondContact O-CZ2 3.4Å; I106-F128 HydrophobicContact CD1-CE2 4.45Å; I106-F128 HydrophobicContact CG2-CD2 4.09Å; I106-F128 HydrophobicContact CG2-CE2 3.77Å; I106-P129 HydrophobicContact CG2-CG 3.77Å; I106-K132 PolarHBondContact O-NZ 3.4Å
107	L	95.3	Very high	95.6	Very high	77 Å²	77	64.3 Å²	64.3	40%	0.403	33%	0.326	S	S	.	.	H	α-helix	trans	-76.3	-54.3	-178.6	-66.4	174.9	0	0	0	112.6	M74 E103 V105 P129 K132	M74-L107 HydrophobicContact CE-CD1 4.36Å; M74-L107 HydrophobicContact CE-CD2 4.3Å; E103-L107 HydrophobicContact CG-CD1 3.89Å; E103-L107 HydrophobicContact CG-CG 4.3Å; E103-L107 WeakPolarHBondContact O-CB 3.14Å; E103-L107 VanDerWaalsContact O-CG 3.29Å; E103-L107 WeakPolarHBondContact O-CG 3.34Å; E103-L107 PolarHBondContact O-N 2.86Å; V105-L107 VanDerWaalsContact C-N 3.3Å; V105-L107 PolarHBondContact O-N 3.28Å; L107-P129 HydrophobicContact CD2-CG 4.4Å; L107-K132 PolarHBondContact O-NZ 3.48Å
108	R	94.7	Very high	95.7	Very high	192 Å²	192	61.3 Å²	61.3	73%	0.725	32%	0.316	S	S	*	.	H	α-helix	trans	-95.2	-39	-164.3	-51.5	-180	-171.4	-140	-0.7	114.3	N104	N104-R108 VanDerWaalsContact O-CB 3.23Å; N104-R108 WeakPolarHBondContact O-CB 3.22Å; N104-R108 WeakPolarHBondContact O-CG 3.44Å; N104-R108 PolarHBondContact O-N 3.22Å; N104-R108 PolarHBondContact OD1-NE 3.4Å
109	E	95.9	Very high	95.7	Very high	78 Å²	78	58.8 Å²	58.8	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-78.8	144	-174.6	-67.3	-61	131.3	0	0	111.7	V105 N113 W114 K132	V105-E109 HydrophobicContact CB-CB 4.46Å; V105-E109 HydrophobicContact CB-CG 4.32Å; V105-E109 HydrophobicContact CG1-CB 3.94Å; V105-E109 HydrophobicContact CG1-CG 4.14Å; V105-E109 HydrophobicContact CG2-CG 4.29Å; V105-E109 WeakPolarHBondContact O-CB 3.3Å; V105-E109 PolarHBondContact O-N 3.08Å; E109-N113 HydrophobicContact CB-CB 4.2Å; E109-N113 PolarHBondContact OE2-ND2 2.64Å; E109-W114 PolarHBondContact O-NE1 3.46Å; E109-K132 WeakPolarHBondContact O-CE 3.43Å; E109-K132 PolarHBondContact O-NZ 3.45Å
110	P	95.8	Very high	95.8	Very high	61 Å²	61	57 Å²	57	40%	0.396	29%	0.292	S	S	.	.			trans	-67.8	153	172.1	32.8	-36.8	0	0	0	110.6	Q112 N113 W114	P110-Q112 PolarHBondContact O-N 3.18Å; P110-N113 HydrophobicContact CG-CB 4.44Å; P110-N113 WeakPolarHBondContact O-CB 3.24Å; P110-N113 PolarHBondContact O-N 2.67Å; P110-W114 VanDerWaalsContact O-CD1 3.27Å
111	V	95.8	Very high	95.8	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.036	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.9	-20.6	-169.6	-62.3	0	0	0	0	114.3	N113 W114 K132 E135 L139	V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 3.14Å; V111-W114 HydrophobicContact CG1-CD2 4.4Å; V111-W114 HydrophobicContact CG1-CH2 4.39Å; V111-W114 HydrophobicContact CG1-CZ2 4.09Å; V111-W114 PolarHBondContact O-N 2.83Å; V111-K132 HydrophobicContact CG1-CB 3.87Å; V111-K132 HydrophobicContact CG1-CG 4.48Å; V111-K132 WeakPolarHBondContact CG1-O 3.25Å; V111-E135 HydrophobicContact CG1-CB 4.1Å; V111-E135 HydrophobicContact CG2-CB 4.06Å; V111-L139 HydrophobicContact CG2-CD2 4.03Å
112	Q	95.1	Very high	95.8	Very high	106 Å²	106	54.7 Å²	54.7	50%	0.495	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-63.1	-35.2	172.7	-64.8	74.5	10	0	0	111.7	P110 L139 R140	P110-Q112 PolarHBondContact O-N 3.18Å; Q112-L139 HydrophobicContact CB-CD2 4.41Å; Q112-L139 HydrophobicContact CG-CD2 3.88Å; Q112-R140 PolarHBondContact O-NH2 3.45Å
113	N	95.3	Very high	95.9	Very high	99 Å²	99	49.2 Å²	49.2	53%	0.529	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-84.6	-6.2	-178.4	-66.5	0.8	0	0	0	113.2	E109 P110 V111	E109-N113 HydrophobicContact CB-CB 4.2Å; E109-N113 PolarHBondContact OE2-ND2 2.64Å; P110-N113 HydrophobicContact CG-CB 4.44Å; P110-N113 WeakPolarHBondContact O-CB 3.24Å; P110-N113 PolarHBondContact O-N 2.67Å; V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 3.14Å
114	W	97.3	Very high	95.9	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.015	25%	0.247	C	C	.	.	S	Bend	trans	-71.8	149.8	-179.6	-68.3	16.5	0	0	0	111	F101 V105 I106 E109 P110 V111 K132 Y136	F101-W114 HydrophobicContact CD2-CB 4.44Å; F101-W114 HydrophobicContact CD2-CD2 4.42Å; F101-W114 AromaticContact CD2-CE3 3.92Å; F101-W114 HydrophobicContact CD2-CE3 3.92Å; F101-W114 HydrophobicContact CE2-CB 4.22Å; F101-W114 AromaticContact CE2-CE3 3.9Å; F101-W114 HydrophobicContact CE2-CE3 3.9Å; V105-W114 HydrophobicContact CG1-CG 4.16Å; V105-W114 PolarHBondContact O-NE1 3.27Å; V105-W114 VanDerWaalsContact O-NE1 3.16Å; I106-W114 HydrophobicContact CB-CZ2 4.48Å; I106-W114 HydrophobicContact CG2-CH2 4.25Å; I106-W114 HydrophobicContact CG2-CZ2 4.36Å; I106-W114 VanDerWaalsContact O-CZ2 3.29Å; I106-W114 WeakPolarHBondContact O-CZ2 3.4Å; E109-W114 PolarHBondContact O-NE1 3.46Å; P110-W114 VanDerWaalsContact O-CD1 3.27Å; V111-W114 HydrophobicContact CG1-CD2 4.4Å; V111-W114 HydrophobicContact CG1-CH2 4.39Å; V111-W114 HydrophobicContact CG1-CZ2 4.09Å; V111-W114 PolarHBondContact O-N 2.83Å; W114-K132 HydrophobicContact CH2-CB 3.72Å; W114-K132 HydrophobicContact CZ2-CB 3.81Å; W114-K132 HydrophobicContact CZ2-CD 4.41Å; W114-Y136 HydrophobicContact CB-CD2 3.68Å; W114-Y136 HydrophobicContact CB-CE2 3.7Å; W114-Y136 HydrophobicContact CD2-CD2 4.14Å; W114-Y136 HydrophobicContact CE3-CD1 4.5Å; W114-Y136 AromaticContact CE3-CD2 3.62Å; W114-Y136 HydrophobicContact CE3-CD2 3.62Å; W114-Y136 HydrophobicContact CE3-CE2 4.37Å; W114-Y136 AromaticContact CE3-CG 3.69Å; W114-Y136 HydrophobicContact CE3-CG 3.69Å; W114-Y136 HydrophobicContact CG-CD2 4.23Å; W114-Y136 HydrophobicContact CZ3-CG 4.2Å
115	P	96.3	Very high	95.8	Very high	46 Å²	46	44.7 Å²	44.7	30%	0.299	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-57.1	142.7	179.5	-22	32.4	0	0	0	112.2	V99 F101 Y136	V99-P115 HydrophobicContact CG1-CB 3.72Å; V99-P115 HydrophobicContact CG1-CG 4.21Å; F101-P115 HydrophobicContact CD1-CB 4.12Å; F101-P115 HydrophobicContact CD1-CG 3.92Å; F101-P115 HydrophobicContact CE1-CB 3.82Å; F101-P115 HydrophobicContact CE1-CG 4.11Å; F101-P115 HydrophobicContact CG-CG 4.27Å; F101-P115 HydrophobicContact CZ-CB 4.29Å; F101-P115 WeakPolarHBondContact CZ-O 3.46Å; P115-Y136 WeakPolarHBondContact O-CE2 3.44Å; P115-Y136 PolarHBondContact O-OH 3.28Å
116	T	95.1	Very high	95.6	Very high	93 Å²	93	51.1 Å²	51.1	57%	0.571	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-78.3	143.7	174.6	47.1	0	0	0	0	111.4
117	C	96.3	Very high	95.3	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.074	28%	0.28	C	S	.	.			trans	-149.2	151.5	173.9	61.7	0	0	0	0	110.9	V68 C119 Y136	V68-C117 HydrophobicContact CB-CB 4.45Å; V68-C117 HydrophobicContact CG1-CB 3.99Å; V68-C117 WeakPolarHBondContact O-CB 3.37Å; C117-C119 PolarHBondContact SG-O 2.99Å; C117-Y136 PolarHBondContact N-OH 2.85Å; C117-Y136 PolarHBondContact SG-OH 2.97Å
118	D	95.6	Very high	95.4	Very high	50 Å²	50	50.3 Å²	50.3	27%	0.267	26%	0.263	S	S	.	.	S	Bend	trans	-84.3	-30.3	175.8	-49.7	-70.7	0	0	0	111.1	V67 V68 P142 F143 L373 L377	V67-D118 HydrophobicContact CG1-CB 4.06Å; V68-D118 WeakPolarHBondContact CB-OD2 3.48Å; V68-D118 PolarHBondContact N-OD2 3.02Å; V68-D118 PolarHBondContact O-N 2.91Å; D118-P142 WeakPolarHBondContact O-CA 3.4Å; D118-F143 PolarHBondContact O-N 3.32Å; D118-L373 HydrophobicContact CB-CD1 3.96Å; D118-L377 HydrophobicContact CB-CD1 4.26Å
119	C	96.8	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.9	174	173.6	0	0	0	0	110.3	V68 V69 G70 C117 F143 I369 L373	V68-C119 PolarHBondContact O-N 2.77Å; V69-C119 CarbonylContact C-O 3.6Å; V69-C119 WeakPolarHBondContact CA-O 3.42Å; V69-C119 HydrophobicContact CG1-CB 4.39Å; V69-C119 HydrophobicContact CG2-CB 4.12Å; G70-C119 PolarHBondContact N-O 2.88Å; C117-C119 PolarHBondContact SG-O 2.99Å; C119-F143 CarbonylContact C-O 3.56Å; C119-F143 WeakPolarHBondContact CA-O 3.45Å; C119-F143 HydrophobicContact CB-CD1 4.33Å; C119-I369 HydrophobicContact CB-CG2 4.07Å; C119-L373 HydrophobicContact CB-CD1 3.82Å
120	L	97.9	Very high	95.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.1	178.4	-178.4	65.7	0	0	0	111.4	C72 F101 Y136 A137 P142 F143 V144 L145 L148	C72-L120 HydrophobicContact CB-CD1 3.9Å; F101-L120 HydrophobicContact CZ-CD1 4.48Å; L120-Y136 HydrophobicContact CD1-CD1 4.41Å; L120-Y136 HydrophobicContact CD1-CE1 4.06Å; L120-Y136 HydrophobicContact CD2-CD1 3.9Å; L120-Y136 HydrophobicContact CD2-CE1 4.09Å; L120-A137 HydrophobicContact CD2-CB 4.23Å; L120-P142 HydrophobicContact CB-CB 4.01Å; L120-P142 HydrophobicContact CB-CG 3.67Å; L120-P142 HydrophobicContact CD2-CG 4.12Å; L120-F143 PolarHBondContact N-O 3.3Å; L120-V144 HydrophobicContact CB-CG2 4.49Å; L120-V144 HydrophobicContact CD2-CG2 4.38Å; L120-L145 PolarHBondContact O-N 3.5Å; L120-L148 HydrophobicContact CD2-CD1 4.4Å
121	V	97	Very high	95.5	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	100.1	169	-173.5	0	0	0	0	108	V69 G70 I71 C72 L145 F348	V69-V121 HydrophobicContact CG1-CG2 3.87Å; G70-V121 PolarHBondContact O-N 2.77Å; I71-V121 WeakPolarHBondContact CA-O 3.31Å; I71-V121 HydrophobicContact CD1-CB 3.83Å; I71-V121 HydrophobicContact CD1-CG1 4.46Å; I71-V121 HydrophobicContact CD1-CG2 4.02Å; C72-V121 PolarHBondContact N-O 2.87Å; V121-L145 HydrophobicContact CG1-CD2 4.12Å; V121-L145 HydrophobicContact CG2-CB 4.21Å; V121-L145 HydrophobicContact CG2-CD2 3.83Å; V121-F348 HydrophobicContact CG1-CE2 3.86Å; V121-F348 HydrophobicContact CG1-CZ 4.24Å
122	S	97.2	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.5	-175.3	-174.5	0	0	0	0	112.4	C72 F128 Q151	C72-S122 VanDerWaalsContact O-CA 3.25Å; C72-S122 WeakPolarHBondContact O-CA 3.45Å; C72-S122 VanDerWaalsContact O-CB 3.28Å; C72-S122 WeakPolarHBondContact O-CB 3.37Å; C72-S122 PolarHBondContact O-OG 3.04Å; S122-F128 WeakPolarHBondContact OG-CZ 3.38Å; S122-Q151 PolarHBondContact O-NE2 3.23Å; S122-Q151 VanDerWaalsContact O-NE2 3.16Å
123	F	96.2	Very high	95.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.018	22%	0.216	C	C	.	.			trans	-156.5	138.7	-173	55.5	-87.2	0	0	0	113.8	A73 K77 M83 Q151 F348	A73-F123 HydrophobicContact CB-CD1 4.2Å; A73-F123 HydrophobicContact CB-CD2 4.27Å; A73-F123 HydrophobicContact CB-CE1 3.73Å; A73-F123 HydrophobicContact CB-CE2 3.82Å; A73-F123 HydrophobicContact CB-CG 4.45Å; A73-F123 HydrophobicContact CB-CZ 3.52Å; K77-F123 HydrophobicContact CB-CE2 3.7Å; K77-F123 HydrophobicContact CB-CZ 3.88Å; K77-F123 HydrophobicContact CD-CE2 3.97Å; K77-F123 HydrophobicContact CG-CE2 3.72Å; K77-F123 HydrophobicContact CG-CZ 4.42Å; M83-F123 HydrophobicContact CE-CE1 3.71Å; M83-F123 HydrophobicContact CE-CZ 3.64Å; F123-Q151 VanDerWaalsContact CA-OE1 3.26Å; F123-F348 HydrophobicContact CB-CB 3.4Å; F123-F348 VanDerWaalsContact CB-CB 3.4Å; F123-F348 HydrophobicContact CB-CD1 4.43Å; F123-F348 HydrophobicContact CB-CD2 4.06Å; F123-F348 HydrophobicContact CB-CG 3.73Å; F123-F348 HydrophobicContact CD1-CB 4.16Å; F123-F348 AromaticContact CD1-CD1 3.59Å; F123-F348 HydrophobicContact CD1-CD1 3.59Å; F123-F348 AromaticContact CD1-CD2 3.55Å; F123-F348 HydrophobicContact CD1-CD2 3.55Å; F123-F348 AromaticContact CD1-CE1 3.78Å; F123-F348 HydrophobicContact CD1-CE1 3.78Å; F123-F348 AromaticContact CD1-CE2 3.73Å; F123-F348 HydrophobicContact CD1-CE2 3.73Å; F123-F348 AromaticContact CD1-CG 3.47Å; F123-F348 HydrophobicContact CD1-CG 3.47Å; F123-F348 VanDerWaalsContact CD1-CG 3.47Å; F123-F348 AromaticContact CD1-CZ 3.85Å; F123-F348 HydrophobicContact CD1-CZ 3.85Å; F123-F348 HydrophobicContact CD2-CB 3.91Å; F123-F348 AromaticContact CD2-CD1 3.69Å; F123-F348 HydrophobicContact CD2-CD1 3.69Å; F123-F348 HydrophobicContact CD2-CE1 4.43Å; F123-F348 AromaticContact CD2-CG 3.86Å; F123-F348 HydrophobicContact CD2-CG 3.86Å; F123-F348 AromaticContact CE1-CD1 3.63Å; F123-F348 HydrophobicContact CE1-CD1 3.63Å; F123-F348 HydrophobicContact CE1-CD2 4.18Å; F123-F348 AromaticContact CE1-CE1 3.42Å; F123-F348 HydrophobicContact CE1-CE1 3.42Å; F123-F348 VanDerWaalsContact CE1-CE1 3.42Å; F123-F348 AromaticContact CE1-CE2 3.98Å; F123-F348 HydrophobicContact CE1-CE2 3.98Å; F123-F348 HydrophobicContact CE1-CG 4.02Å; F123-F348 AromaticContact CE1-CZ 3.6Å; F123-F348 HydrophobicContact CE1-CZ 3.6Å; F123-F348 AromaticContact CE2-CD1 3.71Å; F123-F348 HydrophobicContact CE2-CD1 3.71Å; F123-F348 HydrophobicContact CE2-CE1 4.1Å; F123-F348 HydrophobicContact CE2-CG 4.34Å; F123-F348 HydrophobicContact CG-CB 3.56Å; F123-F348 AromaticContact CG-CD1 3.63Å; F123-F348 HydrophobicContact CG-CD1 3.63Å; F123-F348 AromaticContact CG-CD2 3.87Å; F123-F348 HydrophobicContact CG-CD2 3.87Å; F123-F348 HydrophobicContact CG-CE1 4.29Å; F123-F348 HydrophobicContact CG-CE2 4.49Å; F123-F348 AromaticContact CG-CG 3.4Å; F123-F348 HydrophobicContact CG-CG 3.4Å; F123-F348 AromaticContact CZ-CD1 3.68Å; F123-F348 HydrophobicContact CZ-CD1 3.68Å; F123-F348 AromaticContact CZ-CE1 3.59Å; F123-F348 HydrophobicContact CZ-CE1 3.59Å; F123-F348 HydrophobicContact CZ-CG 4.42Å; F123-F348 HydrophobicContact CZ-CZ 4.23Å
124	H	94.7	Very high	95.7	Very high	39 Å²	39	35.3 Å²	35.3	18%	0.181	19%	0.194	C	C	.	.			trans	-64.3	148.4	178.3	-179	-107.4	0	0	0	113.5	F128 L130 Q151 Q155 E215	H124-F128 HydrophobicContact CB-CD1 4.44Å; H124-L130 HydrophobicContact CB-CD2 4.37Å; H124-Q151 HydrophobicContact CB-CB 4.49Å; H124-Q155 PolarHBondContact CE1-OE1 3.46Å; H124-Q155 VanDerWaalsContact CE1-OE1 3.31Å; H124-E215 IonicContact CE1-OE1 2.62Å; H124-E215 PolarHBondContact CE1-OE1 3.3Å
125	S	93	Very high	95.7	Very high	23 Å²	23	39.4 Å²	39.4	16%	0.161	21%	0.214	C	C	.	.			trans	-165.1	145.9	152.1	50.6	0	0	0	0	108.8	K77 G127 F128	K77-S125 WeakPolarHBondContact CE-OG 3.24Å; S125-G127 PolarHBondContact O-N 2.92Å; S125-G127 VanDerWaalsContact O-N 3.13Å; S125-F128 VanDerWaalsContact O-CB 3.29Å; S125-F128 WeakPolarHBondContact O-CB 3.43Å; S125-F128 PolarHBondContact O-N 2.85Å
126	K	90.1	Very high	95.7	Very high	174 Å²	174	37.2 Å²	37.2	76%	0.757	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-17	105.4	177	-174.5	161.8	-172.8	159.1	0	115.5	E215	K126-E215 PolarHBondContact N-OE1 2.65Å; K126-E215 VanDerWaalsContact N-OE1 3.13Å
127	G	90.9	Very high	95.8	Very high	51 Å²	51	33.5 Å²	33.5	53%	0.526	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	-6.6	-178.7	0	0	0	0	0	115	M74 S125	M74-G127 WeakPolarHBondContact CE-O 3.39Å; S125-G127 PolarHBondContact O-N 2.92Å; S125-G127 VanDerWaalsContact O-N 3.13Å
128	F	96	Very high	95.8	Very high	10 Å²	10	39.5 Å²	39.5	4%	0.044	21%	0.205	C	C	.	.			trans	-84.8	127.7	178.5	-176.3	-102	0	0	0	112.6	M74 I106 S122 H124 S125 L130 A133	M74-F128 HydrophobicContact CG-CB 3.87Å; M74-F128 HydrophobicContact CG-CD2 4.16Å; M74-F128 HydrophobicContact SD-CB 3.94Å; M74-F128 HydrophobicContact SD-CD2 3.9Å; M74-F128 HydrophobicContact SD-CG 4.44Å; I106-F128 HydrophobicContact CD1-CE2 4.45Å; I106-F128 HydrophobicContact CG2-CD2 4.09Å; I106-F128 HydrophobicContact CG2-CE2 3.77Å; S122-F128 WeakPolarHBondContact OG-CZ 3.38Å; H124-F128 HydrophobicContact CB-CD1 4.44Å; S125-F128 VanDerWaalsContact O-CB 3.29Å; S125-F128 WeakPolarHBondContact O-CB 3.43Å; S125-F128 PolarHBondContact O-N 2.85Å; F128-L130 HydrophobicContact CD1-CB 4.31Å; F128-L130 HydrophobicContact CE1-CD1 4.37Å; F128-L130 PolarHBondContact O-N 2.69Å; F128-A133 HydrophobicContact CE1-CB 3.79Å; F128-A133 HydrophobicContact CZ-CB 3.81Å
129	P	95.9	Very high	95.8	Very high	31 Å²	31	41 Å²	41	20%	0.201	21%	0.213	C	C	.	.			trans	-79.3	82.3	178.1	32.9	-34.3	0	0	0	111.1	I106 L107 E131 K132 A133	I106-P129 HydrophobicContact CG2-CG 3.77Å; L107-P129 HydrophobicContact CD2-CG 4.4Å; P129-E131 PolarHBondContact O-N 2.73Å; P129-K132 HydrophobicContact CB-CB 4.19Å; P129-K132 HydrophobicContact CB-CD 3.89Å; P129-K132 HydrophobicContact CB-CG 4.08Å; P129-K132 HydrophobicContact CG-CB 4.4Å; P129-K132 HydrophobicContact CG-CD 4.1Å; P129-K132 PolarHBondContact O-N 2.74Å; P129-A133 PolarHBondContact O-N 3.49Å
130	L	95.7	Very high	95.7	Very high	6 Å²	6	46 Å²	46	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-34.6	-178.9	-178.7	58.9	0	0	0	113	H124 F128 A133 I134 L148 Q151 Y152	H124-L130 HydrophobicContact CB-CD2 4.37Å; F128-L130 HydrophobicContact CD1-CB 4.31Å; F128-L130 HydrophobicContact CE1-CD1 4.37Å; F128-L130 PolarHBondContact O-N 2.69Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 2.77Å; L130-I134 HydrophobicContact CG-CD1 4.27Å; L130-I134 WeakPolarHBondContact O-CG1 3.47Å; L130-I134 PolarHBondContact O-N 3.13Å; L130-L148 HydrophobicContact CD1-CB 4.15Å; L130-L148 HydrophobicContact CD1-CD2 4.07Å; L130-Q151 HydrophobicContact CD1-CB 4.38Å; L130-Q151 HydrophobicContact CD2-CB 3.87Å; L130-Y152 HydrophobicContact CB-CE2 4.49Å; L130-Y152 HydrophobicContact CD2-CD1 4.15Å; L130-Y152 HydrophobicContact CD2-CD2 3.64Å; L130-Y152 HydrophobicContact CD2-CE1 4.06Å; L130-Y152 HydrophobicContact CD2-CE2 3.52Å; L130-Y152 HydrophobicContact CD2-CG 3.96Å; L130-Y152 HydrophobicContact CG-CD2 4.36Å; L130-Y152 HydrophobicContact CG-CE2 3.8Å
131	E	96.4	Very high	95.5	Very high	133 Å²	133	52.7 Å²	52.7	62%	0.621	27%	0.267	S	S	*	.	H	α-helix	trans	-60.4	-48.5	176.2	-169.3	163.8	-145.6	0	0	111.8	P129 A133 I134 E135 Y152	P129-E131 PolarHBondContact O-N 2.73Å; E131-A133 VanDerWaalsContact C-N 3.26Å; E131-A133 PolarHBondContact O-N 3.01Å; E131-I134 WeakPolarHBondContact O-CA 3.44Å; E131-I134 WeakPolarHBondContact O-CB 3.28Å; E131-I134 PolarHBondContact O-N 3.09Å; E131-E135 WeakPolarHBondContact O-CG 3.24Å; E131-E135 PolarHBondContact O-N 3.25Å; E131-Y152 PolarHBondContact N-OH 3.48Å
132	K	97.1	Very high	95.5	Very high	40 Å²	40	52.8 Å²	52.8	17%	0.174	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-32.9	174	-63.7	-179.7	73.2	-167.6	0	112.6	I106 L107 E109 V111 W114 P129 I134 Y136	I106-K132 PolarHBondContact O-NZ 3.4Å; L107-K132 PolarHBondContact O-NZ 3.48Å; E109-K132 WeakPolarHBondContact O-CE 3.43Å; E109-K132 PolarHBondContact O-NZ 3.45Å; V111-K132 HydrophobicContact CG1-CB 3.87Å; V111-K132 HydrophobicContact CG1-CG 4.48Å; V111-K132 WeakPolarHBondContact CG1-O 3.25Å; W114-K132 HydrophobicContact CH2-CB 3.72Å; W114-K132 HydrophobicContact CZ2-CB 3.81Å; W114-K132 HydrophobicContact CZ2-CD 4.41Å; P129-K132 HydrophobicContact CB-CB 4.19Å; P129-K132 HydrophobicContact CB-CD 3.89Å; P129-K132 HydrophobicContact CB-CG 4.08Å; P129-K132 HydrophobicContact CG-CB 4.4Å; P129-K132 HydrophobicContact CG-CD 4.1Å; P129-K132 PolarHBondContact O-N 2.74Å; K132-I134 VanDerWaalsContact C-N 3.32Å; K132-Y136 WeakPolarHBondContact O-CB 3.45Å; K132-Y136 PolarHBondContact O-N 3.18Å
133	A	97.1	Very high	95.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-34.7	174.3	0	0	0	0	0	112	F128 P129 L130 E131 A137 L148	F128-A133 HydrophobicContact CE1-CB 3.79Å; F128-A133 HydrophobicContact CZ-CB 3.81Å; P129-A133 PolarHBondContact O-N 3.49Å; L130-A133 WeakPolarHBondContact O-CB 3.38Å; L130-A133 PolarHBondContact O-N 2.77Å; E131-A133 VanDerWaalsContact C-N 3.26Å; E131-A133 PolarHBondContact O-N 3.01Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 2.71Å; A133-L148 VanDerWaalsContact C-CD1 3.47Å; A133-L148 HydrophobicContact CB-CD1 3.99Å; A133-L148 HydrophobicContact CB-CD2 4.45Å; A133-L148 VanDerWaalsContact O-CD1 3.24Å; A133-L148 WeakPolarHBondContact O-CD1 3.49Å
134	I	97.2	Very high	95.4	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-70.2	-46.5	174.1	-70.3	163.8	0	0	0	110.6	L130 E131 K132 Y136 A137 Q138 L148 Y152	L130-I134 HydrophobicContact CG-CD1 4.27Å; L130-I134 WeakPolarHBondContact O-CG1 3.47Å; L130-I134 PolarHBondContact O-N 3.13Å; E131-I134 WeakPolarHBondContact O-CA 3.44Å; E131-I134 WeakPolarHBondContact O-CB 3.28Å; E131-I134 PolarHBondContact O-N 3.09Å; K132-I134 VanDerWaalsContact C-N 3.32Å; I134-Y136 VanDerWaalsContact C-N 3.32Å; I134-Y136 PolarHBondContact O-N 3.44Å; I134-A137 PolarHBondContact O-N 2.94Å; I134-A137 VanDerWaalsContact O-N 3.15Å; I134-Q138 HydrophobicContact CG2-CG 4.45Å; I134-Q138 WeakPolarHBondContact O-CG 3.42Å; I134-Q138 PolarHBondContact O-N 2.97Å; I134-L148 HydrophobicContact CD1-CB 4.22Å; I134-L148 HydrophobicContact CG1-CB 3.56Å; I134-L148 HydrophobicContact CG1-CD1 3.99Å; I134-L148 HydrophobicContact CG1-CG 4.43Å; I134-Y152 HydrophobicContact CD1-CD2 4.37Å; I134-Y152 HydrophobicContact CD1-CE2 3.69Å
135	E	96.9	Very high	95.3	Very high	90 Å²	90	55.7 Å²	55.7	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-55.6	-45.9	173.1	-68	176.1	160	0	0	111.5	V111 E131 Q138 L139	V111-E135 HydrophobicContact CG1-CB 4.1Å; V111-E135 HydrophobicContact CG2-CB 4.06Å; E131-E135 WeakPolarHBondContact O-CG 3.24Å; E131-E135 PolarHBondContact O-N 3.25Å; E135-Q138 PolarHBondContact O-N 3.16Å; E135-L139 VanDerWaalsContact O-CB 3.24Å; E135-L139 WeakPolarHBondContact O-CB 3.26Å; E135-L139 PolarHBondContact O-N 3.38Å
136	Y	97.6	Very high	95.4	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-46.4	174.9	173.7	-88.1	0	0	0	111.8	F101 W114 P115 C117 L120 K132 I134 Q138 L139 R140 P142	F101-Y136 HydrophobicContact CE2-CE1 4.22Å; F101-Y136 HydrophobicContact CE2-CE2 4.01Å; F101-Y136 AromaticContact CE2-CZ 3.87Å; F101-Y136 HydrophobicContact CZ-CE1 4.29Å; F101-Y136 HydrophobicContact CZ-CE2 4.27Å; F101-Y136 AromaticContact CZ-CZ 3.8Å; W114-Y136 HydrophobicContact CB-CD2 3.68Å; W114-Y136 HydrophobicContact CB-CE2 3.7Å; W114-Y136 HydrophobicContact CD2-CD2 4.14Å; W114-Y136 HydrophobicContact CE3-CD1 4.5Å; W114-Y136 AromaticContact CE3-CD2 3.62Å; W114-Y136 HydrophobicContact CE3-CD2 3.62Å; W114-Y136 HydrophobicContact CE3-CE2 4.37Å; W114-Y136 AromaticContact CE3-CG 3.69Å; W114-Y136 HydrophobicContact CE3-CG 3.69Å; W114-Y136 HydrophobicContact CG-CD2 4.23Å; W114-Y136 HydrophobicContact CZ3-CG 4.2Å; P115-Y136 WeakPolarHBondContact O-CE2 3.44Å; P115-Y136 PolarHBondContact O-OH 3.28Å; C117-Y136 PolarHBondContact N-OH 2.85Å; C117-Y136 PolarHBondContact SG-OH 2.97Å; L120-Y136 HydrophobicContact CD1-CD1 4.41Å; L120-Y136 HydrophobicContact CD1-CE1 4.06Å; L120-Y136 HydrophobicContact CD2-CD1 3.9Å; L120-Y136 HydrophobicContact CD2-CE1 4.09Å; K132-Y136 WeakPolarHBondContact O-CB 3.45Å; K132-Y136 PolarHBondContact O-N 3.18Å; I134-Y136 VanDerWaalsContact C-N 3.32Å; I134-Y136 PolarHBondContact O-N 3.44Å; Y136-Q138 VanDerWaalsContact C-N 3.34Å; Y136-Q138 PolarHBondContact O-N 3.44Å; Y136-L139 PolarHBondContact O-N 2.96Å; Y136-R140 HydrophobicContact CD2-CG 4.01Å; Y136-R140 HydrophobicContact CE1-CB 4.32Å; Y136-R140 HydrophobicContact CE1-CG 4.33Å; Y136-R140 HydrophobicContact CE2-CB 4.49Å; Y136-R140 HydrophobicContact CE2-CG 3.66Å; Y136-R140 WeakPolarHBondContact O-CB 3.5Å; Y136-R140 PolarHBondContact O-N 3.45Å; Y136-P142 HydrophobicContact CE1-CG 4.33Å
137	A	96.4	Very high	95.7	Very high	15 Å²	15	48.6 Å²	48.6	12%	0.124	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-37.6	179.5	0	0	0	0	0	112	L120 A133 I134 N141 P142 V144 L148	L120-A137 HydrophobicContact CD2-CB 4.23Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 2.71Å; I134-A137 PolarHBondContact O-N 2.94Å; I134-A137 VanDerWaalsContact O-N 3.15Å; A137-N141 VanDerWaalsContact O-CA 3.23Å; A137-N141 WeakPolarHBondContact O-CA 3.36Å; A137-N141 PolarHBondContact O-N 3.04Å; A137-P142 WeakPolarHBondContact O-CD 2.8Å; A137-V144 HydrophobicContact CB-CG2 4.14Å; A137-L148 HydrophobicContact CB-CD1 3.93Å
138	Q	96	Very high	96	Very high	136 Å²	136	46.4 Å²	46.4	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-69	-38.8	174	-69.7	173.3	2.7	0	0	112.2	I134 E135 Y136	I134-Q138 HydrophobicContact CG2-CG 4.45Å; I134-Q138 WeakPolarHBondContact O-CG 3.42Å; I134-Q138 PolarHBondContact O-N 2.97Å; E135-Q138 PolarHBondContact O-N 3.16Å; Y136-Q138 VanDerWaalsContact C-N 3.34Å; Y136-Q138 PolarHBondContact O-N 3.44Å
139	L	95.9	Very high	96	Very high	82 Å²	82	50.8 Å²	50.8	43%	0.429	25%	0.249	S	C	.	.	H	α-helix	trans	-71.1	-36	179.4	176.6	64.5	0	0	0	113.4	V111 Q112 E135 Y136	V111-L139 HydrophobicContact CG2-CD2 4.03Å; Q112-L139 HydrophobicContact CB-CD2 4.41Å; Q112-L139 HydrophobicContact CG-CD2 3.88Å; E135-L139 VanDerWaalsContact O-CB 3.24Å; E135-L139 WeakPolarHBondContact O-CB 3.26Å; E135-L139 PolarHBondContact O-N 3.38Å; Y136-L139 PolarHBondContact O-N 2.96Å
140	R	94.6	Very high	96	Very high	104 Å²	104	50.5 Å²	50.5	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-107.5	-15.2	-172.6	-59	-56.9	-170.4	175.2	2.9	114.2	Q112 Y136 P142	Q112-R140 PolarHBondContact O-NH2 3.45Å; Y136-R140 HydrophobicContact CD2-CG 4.01Å; Y136-R140 HydrophobicContact CE1-CB 4.32Å; Y136-R140 HydrophobicContact CE1-CG 4.33Å; Y136-R140 HydrophobicContact CE2-CB 4.49Å; Y136-R140 HydrophobicContact CE2-CG 3.66Å; Y136-R140 WeakPolarHBondContact O-CB 3.5Å; Y136-R140 PolarHBondContact O-N 3.45Å; R140-P142 VanDerWaalsContact C-CD 3.43Å
141	N	94.3	Very high	96	Very high	142 Å²	142	50.6 Å²	50.6	76%	0.759	25%	0.246	S	C	*	.			trans	44.3	49.6	-176.6	-165	59.5	0	0	0	115.4	A137	A137-N141 VanDerWaalsContact O-CA 3.23Å; A137-N141 WeakPolarHBondContact O-CA 3.36Å; A137-N141 PolarHBondContact O-N 3.04Å
142	P	96	Very high	96	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.078	23%	0.234	C	C	.	.			trans	-74.8	162.4	176.1	35.3	-36	0	0	0	111.2	D118 L120 Y136 A137 R140 V144	D118-P142 WeakPolarHBondContact O-CA 3.4Å; L120-P142 HydrophobicContact CB-CB 4.01Å; L120-P142 HydrophobicContact CB-CG 3.67Å; L120-P142 HydrophobicContact CD2-CG 4.12Å; Y136-P142 HydrophobicContact CE1-CG 4.33Å; A137-P142 WeakPolarHBondContact O-CD 2.8Å; R140-P142 VanDerWaalsContact C-CD 3.43Å; P142-V144 HydrophobicContact CG-CG2 4.23Å; P142-V144 PolarHBondContact O-N 2.85Å
143	F	94.9	Very high	95.9	Very high	57 Å²	57	48.7 Å²	48.7	25%	0.25	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	105.8	165.1	173.8	-118.3	0	0	0	110	D118 C119 L120 L145 I369 E372 L373	D118-F143 PolarHBondContact O-N 3.32Å; C119-F143 CarbonylContact C-O 3.56Å; C119-F143 WeakPolarHBondContact CA-O 3.45Å; C119-F143 HydrophobicContact CB-CD1 4.33Å; L120-F143 PolarHBondContact N-O 3.3Å; F143-L145 HydrophobicContact CE1-CD1 4.2Å; F143-L145 PolarHBondContact O-N 2.69Å; F143-I369 HydrophobicContact CE1-CG1 4.37Å; F143-E372 HydrophobicContact CD2-CG 3.86Å; F143-E372 HydrophobicContact CE1-CB 4.45Å; F143-E372 HydrophobicContact CE2-CB 4.44Å; F143-E372 HydrophobicContact CE2-CG 3.82Å; F143-E372 HydrophobicContact CG-CG 4.29Å; F143-E372 HydrophobicContact CZ-CB 4.34Å; F143-E372 HydrophobicContact CZ-CG 4.22Å; F143-L373 HydrophobicContact CB-CD1 4.08Å; F143-L373 HydrophobicContact CB-CD2 4.06Å; F143-L373 HydrophobicContact CB-CG 4.29Å; F143-L373 HydrophobicContact CD1-CD1 4.46Å
144	V	95.9	Very high	95.8	Very high	42 Å²	42	49.3 Å²	49.3	26%	0.255	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108	-176.8	-179.9	0	0	0	0	110.5	L120 A137 P142 N146 L148	L120-V144 HydrophobicContact CB-CG2 4.49Å; L120-V144 HydrophobicContact CD2-CG2 4.38Å; A137-V144 HydrophobicContact CB-CG2 4.14Å; P142-V144 HydrophobicContact CG-CG2 4.23Å; P142-V144 PolarHBondContact O-N 2.85Å; V144-N146 VanDerWaalsContact CG1-O 3.26Å; V144-N146 WeakPolarHBondContact CG1-O 3.32Å; V144-N146 PolarHBondContact O-N 3.02Å; V144-L148 HydrophobicContact CG1-CG 4.18Å
145	L	93.3	Very high	95.7	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	25%	0.247	C	C	.	.	S	Bend	trans	-64.9	-37.6	-174.5	-170.1	82.3	0	0	0	113.6	L120 V121 F143 T327 L365 I369	L120-L145 PolarHBondContact O-N 3.5Å; V121-L145 HydrophobicContact CG1-CD2 4.12Å; V121-L145 HydrophobicContact CG2-CB 4.21Å; V121-L145 HydrophobicContact CG2-CD2 3.83Å; F143-L145 HydrophobicContact CE1-CD1 4.2Å; F143-L145 PolarHBondContact O-N 2.69Å; L145-T327 HydrophobicContact CD1-CG2 4.07Å; L145-T327 HydrophobicContact CG-CG2 4.12Å; L145-T327 WeakPolarHBondContact O-CB 3.38Å; L145-T327 PolarHBondContact O-OG1 3.02Å; L145-L365 HydrophobicContact CD1-CD2 4.02Å; L145-L365 HydrophobicContact CD2-CD1 4.46Å; L145-L365 HydrophobicContact CD2-CD2 3.71Å; L145-L365 HydrophobicContact CG-CD2 4.37Å; L145-I369 HydrophobicContact CD1-CG1 4.31Å
146	N	95.4	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-127.3	112.9	179.8	-95.2	64.3	0	0	0	107.5	V144 L148 Q326 T327 V328	V144-N146 VanDerWaalsContact CG1-O 3.26Å; V144-N146 WeakPolarHBondContact CG1-O 3.32Å; V144-N146 PolarHBondContact O-N 3.02Å; N146-L148 PolarHBondContact O-N 3.48Å; N146-Q326 WeakPolarHBondContact ND2-CB 3.29Å; N146-Q326 PolarHBondContact ND2-OE1 3.25Å; N146-T327 PolarHBondContact OD1-N 3.03Å; N146-V328 PolarHBondContact ND2-O 2.66Å; N146-V328 PolarHBondContact OD1-N 2.77Å
147	N	96.9	Very high	95.5	Very high	49 Å²	49	48.1 Å²	48.1	26%	0.262	23%	0.233	S	C	.	.			trans	-58.3	131.7	-171.9	-174.6	-81.7	0	0	0	111.5	H149 M150 Q151 K325 Q326	N147-H149 PolarHBondContact OD1-N 3.22Å; N147-M150 HydrophobicContact CB-CB 4.49Å; N147-M150 HydrophobicContact CB-CG 4.12Å; N147-M150 PolarHBondContact OD1-N 3.41Å; N147-M150 VanDerWaalsContact OD1-N 3.16Å; N147-Q151 WeakPolarHBondContact O-CG 3.37Å; N147-Q151 PolarHBondContact O-NE2 3.41Å; N147-K325 HydrophobicContact CB-CB 3.64Å; N147-K325 WeakPolarHBondContact CB-O 3.41Å; N147-K325 PolarHBondContact N-O 2.81Å; N147-Q326 PolarHBondContact O-NE2 3.1Å
148	L	96.8	Very high	95.5	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.026	24%	0.24	C	C	.	.	S	Bend	trans	-77.9	-39.1	-174	-62.6	177.9	0	0	0	113.5	L120 L130 A133 I134 A137 V144 N146 M150 Q151	L120-L148 HydrophobicContact CD2-CD1 4.4Å; L130-L148 HydrophobicContact CD1-CB 4.15Å; L130-L148 HydrophobicContact CD1-CD2 4.07Å; A133-L148 VanDerWaalsContact C-CD1 3.47Å; A133-L148 HydrophobicContact CB-CD1 3.99Å; A133-L148 HydrophobicContact CB-CD2 4.45Å; A133-L148 VanDerWaalsContact O-CD1 3.24Å; A133-L148 WeakPolarHBondContact O-CD1 3.49Å; I134-L148 HydrophobicContact CD1-CB 4.22Å; I134-L148 HydrophobicContact CG1-CB 3.56Å; I134-L148 HydrophobicContact CG1-CD1 3.99Å; I134-L148 HydrophobicContact CG1-CG 4.43Å; A137-L148 HydrophobicContact CB-CD1 3.93Å; V144-L148 HydrophobicContact CG1-CG 4.18Å; N146-L148 PolarHBondContact O-N 3.48Å; L148-M150 PolarHBondContact O-N 2.97Å; L148-Q151 WeakPolarHBondContact O-CB 3.41Å; L148-Q151 PolarHBondContact O-N 3.18Å; L148-Q151 VanDerWaalsContact O-N 3.1Å
149	H	95.5	Very high	95.4	Very high	101 Å²	101	50.1 Å²	50.1	47%	0.468	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-42.8	-179.1	-68	-82.3	0	0	0	111.5	N147 Q151 Y152	N147-H149 PolarHBondContact OD1-N 3.22Å; H149-Q151 PolarHBondContact O-N 2.68Å; H149-Y152 PolarHBondContact O-N 3.37Å
150	M	95.5	Very high	95.5	Very high	25 Å²	25	46.4 Å²	46.4	12%	0.123	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-17.5	176.1	-59.9	-53.3	-52.9	0	0	113.3	N147 L148 Y152 D153 I154 I163 F324 K325	N147-M150 HydrophobicContact CB-CB 4.49Å; N147-M150 HydrophobicContact CB-CG 4.12Å; N147-M150 PolarHBondContact OD1-N 3.41Å; N147-M150 VanDerWaalsContact OD1-N 3.16Å; L148-M150 PolarHBondContact O-N 2.97Å; M150-Y152 VanDerWaalsContact C-N 3.3Å; M150-Y152 PolarHBondContact O-N 3.44Å; M150-D153 HydrophobicContact CE-CB 4.4Å; M150-D153 PolarHBondContact O-N 3.02Å; M150-I154 VanDerWaalsContact O-CG1 3.29Å; M150-I154 WeakPolarHBondContact O-CG1 3.32Å; M150-I154 PolarHBondContact O-N 3.49Å; M150-I163 HydrophobicContact CE-CD1 3.77Å; M150-F324 VanDerWaalsContact CB-O 3.25Å; M150-F324 WeakPolarHBondContact CB-O 3.47Å; M150-F324 WeakPolarHBondContact CG-O 3.24Å; M150-K325 HydrophobicContact CG-CB 4.2Å; M150-K325 HydrophobicContact CG-CD 4.25Å; M150-K325 HydrophobicContact CG-CG 4.46Å
151	Q	96.2	Very high	95.6	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-75.9	-16.9	177.4	-60.3	173	27.1	0	0	112.9	S122 F123 H124 L130 N147 L148 H149 Q155	S122-Q151 PolarHBondContact O-NE2 3.23Å; S122-Q151 VanDerWaalsContact O-NE2 3.16Å; F123-Q151 VanDerWaalsContact CA-OE1 3.26Å; H124-Q151 HydrophobicContact CB-CB 4.49Å; L130-Q151 HydrophobicContact CD1-CB 4.38Å; L130-Q151 HydrophobicContact CD2-CB 3.87Å; N147-Q151 WeakPolarHBondContact O-CG 3.37Å; N147-Q151 PolarHBondContact O-NE2 3.41Å; L148-Q151 WeakPolarHBondContact O-CB 3.41Å; L148-Q151 PolarHBondContact O-N 3.18Å; L148-Q151 VanDerWaalsContact O-N 3.1Å; H149-Q151 PolarHBondContact O-N 2.68Å; Q151-Q155 WeakPolarHBondContact O-CG 3.49Å; Q151-Q155 PolarHBondContact O-NE2 3.26Å
152	Y	95.7	Very high	95.7	Very high	96 Å²	96	37.1 Å²	37.1	38%	0.376	18%	0.177	S	C	.	.	H	α-helix	trans	-72.2	-40.7	163.5	-74.7	-74.9	0	0	0	111.1	L130 E131 I134 H149 M150 I154 Q155	L130-Y152 HydrophobicContact CB-CE2 4.49Å; L130-Y152 HydrophobicContact CD2-CD1 4.15Å; L130-Y152 HydrophobicContact CD2-CD2 3.64Å; L130-Y152 HydrophobicContact CD2-CE1 4.06Å; L130-Y152 HydrophobicContact CD2-CE2 3.52Å; L130-Y152 HydrophobicContact CD2-CG 3.96Å; L130-Y152 HydrophobicContact CG-CD2 4.36Å; L130-Y152 HydrophobicContact CG-CE2 3.8Å; E131-Y152 PolarHBondContact N-OH 3.48Å; I134-Y152 HydrophobicContact CD1-CD2 4.37Å; I134-Y152 HydrophobicContact CD1-CE2 3.69Å; H149-Y152 PolarHBondContact O-N 3.37Å; M150-Y152 VanDerWaalsContact C-N 3.3Å; M150-Y152 PolarHBondContact O-N 3.44Å; Y152-I154 VanDerWaalsContact C-N 3.34Å; Y152-I154 PolarHBondContact O-N 3.47Å; Y152-Q155 WeakPolarHBondContact O-CB 3.35Å; Y152-Q155 PolarHBondContact O-N 3.04Å; Y152-Q155 VanDerWaalsContact O-N 3.09Å
153	D	95.2	Very high	95.7	Very high	36 Å²	36	38 Å²	38	19%	0.193	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-34.7	-179.9	-58.6	-42.2	0	0	0	112.3	M150 Q155 D156 R159 I163	M150-D153 HydrophobicContact CE-CB 4.4Å; M150-D153 PolarHBondContact O-N 3.02Å; D153-Q155 PolarHBondContact O-N 3.31Å; D153-D156 PolarHBondContact O-N 2.98Å; D153-D156 VanDerWaalsContact O-N 3.16Å; D153-D156 VanDerWaalsContact O-O 3.08Å; D153-R159 HydrophobicContact CB-CB 4.15Å; D153-R159 WeakPolarHBondContact OD1-CD 3.32Å; D153-R159 IonicContact OD1-CZ 3.22Å; D153-R159 IonicContact OD1-NE 2.77Å; D153-R159 IonicContact OD1-NH1 2.82Å; D153-R159 PolarHBondContact OD1-NH1 2.9Å; D153-I163 HydrophobicContact CB-CD1 4.22Å
154	I	95.7	Very high	95.8	Very high	14 Å²	14	35.3 Å²	35.3	7%	0.072	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.4	172.6	-68.5	166.1	0	0	0	112.6	M150 Y152 D156 A214 F324 Q326	M150-I154 VanDerWaalsContact O-CG1 3.29Å; M150-I154 WeakPolarHBondContact O-CG1 3.32Å; M150-I154 PolarHBondContact O-N 3.49Å; Y152-I154 VanDerWaalsContact C-N 3.34Å; Y152-I154 PolarHBondContact O-N 3.47Å; I154-D156 VanDerWaalsContact C-N 3.34Å; I154-A214 WeakPolarHBondContact O-CB 3.49Å; I154-F324 HydrophobicContact CD1-CB 4.34Å; I154-F324 HydrophobicContact CD1-CD1 4.17Å; I154-F324 HydrophobicContact CG1-CD1 3.69Å; I154-F324 HydrophobicContact CG1-CE1 4.26Å; I154-Q326 HydrophobicContact CD1-CG 3.66Å
155	Q	94.9	Very high	95.7	Very high	55 Å²	55	38.4 Å²	38.4	26%	0.257	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-11.2	176.6	-72	169.9	78	0	0	113.5	H124 Q151 Y152 D153 A214	H124-Q155 PolarHBondContact CE1-OE1 3.46Å; H124-Q155 VanDerWaalsContact CE1-OE1 3.31Å; Q151-Q155 WeakPolarHBondContact O-CG 3.49Å; Q151-Q155 PolarHBondContact O-NE2 3.26Å; Y152-Q155 WeakPolarHBondContact O-CB 3.35Å; Y152-Q155 PolarHBondContact O-N 3.04Å; Y152-Q155 VanDerWaalsContact O-N 3.09Å; D153-Q155 PolarHBondContact O-N 3.31Å; Q155-A214 PolarHBondContact O-N 3.22Å
156	D	95.4	Very high	95.8	Very high	20 Å²	20	46.5 Å²	46.5	11%	0.107	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-120.3	109.8	-178.7	-174.5	-18.7	0	0	0	110.5	D153 I154 R158 R159 V160	D153-D156 PolarHBondContact O-N 2.98Å; D153-D156 VanDerWaalsContact O-N 3.16Å; D153-D156 VanDerWaalsContact O-O 3.08Å; I154-D156 VanDerWaalsContact C-N 3.34Å; D156-R158 PolarHBondContact O-N 3.1Å; D156-R158 VanDerWaalsContact O-N 3.12Å; D156-R158 VanDerWaalsContact OD1-CB 3.23Å; D156-R158 WeakPolarHBondContact OD1-CB 3.24Å; D156-R158 WeakPolarHBondContact OD1-CG 3.45Å; D156-R158 IonicContact OD1-CZ 3.47Å; D156-R158 PolarHBondContact OD1-N 3.03Å; D156-R158 IonicContact OD1-NE 2.66Å; D156-R158 PolarHBondContact OD1-NE 2.94Å; D156-R158 IonicContact OD1-NH2 2.73Å; D156-R158 IonicContact OD2-CZ 3.58Å; D156-R158 IonicContact OD2-NE 3.27Å; D156-R158 PolarHBondContact OD2-NE 3.38Å; D156-R158 IonicContact OD2-NH2 3.31Å; D156-R158 PolarHBondContact OD2-NH2 3.28Å; D156-R159 HydrophobicContact CB-CB 4.35Å; D156-R159 HydrophobicContact CB-CG 4Å; D156-R159 PolarHBondContact O-N 3.29Å; D156-R159 IonicContact OD2-NE 3.87Å; D156-V160 PolarHBondContact O-N 3.22Å
157	R	95.8	Very high	95.7	Very high	6 Å²	6	50.3 Å²	50.3	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-28.7	-177.1	-60.2	-172.1	-171.5	-80.6	-7.4	112.6	R159 V160 Y161 P211 V212 S213 A214 D216 I258 D344	R157-R159 VanDerWaalsContact C-N 3.33Å; R157-V160 PolarHBondContact O-N 3.13Å; R157-Y161 WeakPolarHBondContact O-CB 3.44Å; R157-Y161 WeakPolarHBondContact O-CD1 3.43Å; R157-Y161 PolarHBondContact O-N 3.44Å; R157-P211 WeakPolarHBondContact CD-O 3.44Å; R157-P211 PolarHBondContact NE-O 3.17Å; R157-P211 VanDerWaalsContact NE-O 3.1Å; R157-V212 PolarHBondContact N-O 3.37Å; R157-S213 PolarHBondContact NE-O 3.5Å; R157-A214 HydrophobicContact CG-CB 4.1Å; R157-A214 PolarHBondContact NH2-O 2.97Å; R157-D216 PolarHBondContact NH2-O 2.97Å; R157-I258 HydrophobicContact CB-CD1 3.55Å; R157-D344 IonicContact CZ-OD1 3.66Å; R157-D344 IonicContact NH1-OD1 3.45Å; R157-D344 PolarHBondContact NH1-OD1 3.48Å
158	R	94.7	Very high	95.5	Very high	70 Å²	70	50.3 Å²	50.3	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-43.1	177	-56.9	170.9	-70.6	-161.7	-2	110.4	D156 A162 V176 D178 V212 I258	D156-R158 PolarHBondContact O-N 3.1Å; D156-R158 VanDerWaalsContact O-N 3.12Å; D156-R158 VanDerWaalsContact OD1-CB 3.23Å; D156-R158 WeakPolarHBondContact OD1-CB 3.24Å; D156-R158 WeakPolarHBondContact OD1-CG 3.45Å; D156-R158 IonicContact OD1-CZ 3.47Å; D156-R158 PolarHBondContact OD1-N 3.03Å; D156-R158 IonicContact OD1-NE 2.66Å; D156-R158 PolarHBondContact OD1-NE 2.94Å; D156-R158 IonicContact OD1-NH2 2.73Å; D156-R158 IonicContact OD2-CZ 3.58Å; D156-R158 IonicContact OD2-NE 3.27Å; D156-R158 PolarHBondContact OD2-NE 3.38Å; D156-R158 IonicContact OD2-NH2 3.31Å; D156-R158 PolarHBondContact OD2-NH2 3.28Å; R158-A162 WeakPolarHBondContact O-CB 3.4Å; R158-A162 PolarHBondContact O-N 3.39Å; R158-V176 HydrophobicContact CG-CG1 3.78Å; R158-V176 HydrophobicContact CG-CG2 4.29Å; R158-D178 WeakPolarHBondContact CD-OD2 3.43Å; R158-D178 IonicContact CZ-OD2 3.76Å; R158-D178 IonicContact NE-OD2 2.7Å; R158-D178 IonicContact NH1-OD1 2.68Å; R158-D178 PolarHBondContact NH1-OD1 3.2Å; R158-D178 IonicContact NH1-OD2 2.77Å; R158-D178 PolarHBondContact NH1-OD2 3.26Å; R158-V212 HydrophobicContact CG-CB 4.25Å; R158-V212 HydrophobicContact CG-CG1 3.87Å; R158-I258 HydrophobicContact CG-CD1 4.44Å
159	R	95.8	Very high	95.3	Very high	123 Å²	123	50.6 Å²	50.6	46%	0.464	25%	0.247	S	C	.	.	H	α-helix	trans	-73.2	-40.4	178.6	-57.4	-173.5	-167.9	-168.5	1	111.6	D153 D156 R157 Y161 A162 I163	D153-R159 HydrophobicContact CB-CB 4.15Å; D153-R159 WeakPolarHBondContact OD1-CD 3.32Å; D153-R159 IonicContact OD1-CZ 3.22Å; D153-R159 IonicContact OD1-NE 2.77Å; D153-R159 IonicContact OD1-NH1 2.82Å; D153-R159 PolarHBondContact OD1-NH1 2.9Å; D156-R159 HydrophobicContact CB-CB 4.35Å; D156-R159 HydrophobicContact CB-CG 4Å; D156-R159 PolarHBondContact O-N 3.29Å; D156-R159 IonicContact OD2-NE 3.87Å; R157-R159 VanDerWaalsContact C-N 3.33Å; R159-Y161 VanDerWaalsContact C-N 3.31Å; R159-Y161 PolarHBondContact O-N 3.39Å; R159-A162 PolarHBondContact O-N 3.42Å; R159-I163 WeakPolarHBondContact O-CB 3.47Å; R159-I163 WeakPolarHBondContact O-CD1 3.36Å; R159-I163 VanDerWaalsContact O-CG1 3.24Å; R159-I163 WeakPolarHBondContact O-CG1 3.39Å; R159-I163 PolarHBondContact O-N 2.86Å
160	V	96.7	Very high	95.2	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-49.8	171.7	173.8	0	0	0	0	110.6	D156 R157 I163 L164 F324 V345	D156-V160 PolarHBondContact O-N 3.22Å; R157-V160 PolarHBondContact O-N 3.13Å; V160-I163 PolarHBondContact O-N 2.98Å; V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 VanDerWaalsContact O-CG 3.29Å; V160-L164 WeakPolarHBondContact O-CG 3.36Å; V160-L164 PolarHBondContact O-N 2.86Å; V160-F324 HydrophobicContact CB-CE1 4.37Å; V160-F324 HydrophobicContact CB-CZ 4.36Å; V160-F324 HydrophobicContact CG1-CE1 4.29Å; V160-F324 HydrophobicContact CG1-CZ 3.91Å; V160-F324 HydrophobicContact CG2-CE1 4.17Å; V160-V345 HydrophobicContact CG1-CB 3.77Å; V160-V345 HydrophobicContact CG1-CG2 3.73Å
161	Y	96.7	Very high	95.2	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-44.7	-177.3	-81.8	37.7	0	0	0	111.8	R157 R159 I163 L164 E165 I171 Y174 K210 I258 E260 C343	R157-Y161 WeakPolarHBondContact O-CB 3.44Å; R157-Y161 WeakPolarHBondContact O-CD1 3.43Å; R157-Y161 PolarHBondContact O-N 3.44Å; R159-Y161 VanDerWaalsContact C-N 3.31Å; R159-Y161 PolarHBondContact O-N 3.39Å; Y161-I163 VanDerWaalsContact C-N 3.26Å; Y161-I163 PolarHBondContact O-N 2.81Å; Y161-L164 HydrophobicContact CD1-CD1 4.46Å; Y161-L164 WeakPolarHBondContact O-CB 3.47Å; Y161-L164 PolarHBondContact O-N 2.73Å; Y161-E165 PolarHBondContact O-N 3.29Å; Y161-I171 HydrophobicContact CD2-CD1 4.02Å; Y161-I171 HydrophobicContact CG-CD1 4.38Å; Y161-Y174 AromaticContact CD2-CD1 3.62Å; Y161-Y174 HydrophobicContact CD2-CD1 3.62Å; Y161-Y174 AromaticContact CD2-CD2 3.81Å; Y161-Y174 HydrophobicContact CD2-CD2 3.81Å; Y161-Y174 AromaticContact CD2-CE1 3.75Å; Y161-Y174 HydrophobicContact CD2-CE1 3.75Å; Y161-Y174 AromaticContact CD2-CE2 3.93Å; Y161-Y174 HydrophobicContact CD2-CE2 3.93Å; Y161-Y174 AromaticContact CD2-CG 3.64Å; Y161-Y174 HydrophobicContact CD2-CG 3.64Å; Y161-Y174 AromaticContact CD2-CZ 3.89Å; Y161-Y174 HydrophobicContact CE2-CD1 4.21Å; Y161-Y174 HydrophobicContact CE2-CD2 4.44Å; Y161-Y174 HydrophobicContact CE2-CG 4.04Å; Y161-Y174 HydrophobicContact CG-CE1 4.46Å; Y161-Y174 HydrophobicContact CG-CE2 4.49Å; Y161-K210 PolarHBondContact OH-NZ 3.32Å; Y161-I258 HydrophobicContact CE2-CG2 4.34Å; Y161-E260 PolarHBondContact OH-OE2 3.41Å; Y161-C343 PolarHBondContact OH-O 2.77Å
162	A	96.1	Very high	95.2	Very high	50 Å²	50	49.2 Å²	49.2	41%	0.413	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-32.3	175.7	0	0	0	0	0	113.5	R158 R159 K166	R158-A162 WeakPolarHBondContact O-CB 3.4Å; R158-A162 PolarHBondContact O-N 3.39Å; R159-A162 PolarHBondContact O-N 3.42Å; A162-K166 VanDerWaalsContact O-CB 3.27Å; A162-K166 WeakPolarHBondContact O-CB 3.46Å; A162-K166 PolarHBondContact O-N 2.55Å; A162-K166 VanDerWaalsContact O-N 3.15Å
163	I	96.9	Very high	95.2	Very high	31 Å²	31	50 Å²	50	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-70.1	-42.4	172.4	-68.9	163	0	0	0	110.8	M150 D153 R159 V160 Y161 K166 E167 A323 F324	M150-I163 HydrophobicContact CE-CD1 3.77Å; D153-I163 HydrophobicContact CB-CD1 4.22Å; R159-I163 WeakPolarHBondContact O-CB 3.47Å; R159-I163 WeakPolarHBondContact O-CD1 3.36Å; R159-I163 VanDerWaalsContact O-CG1 3.24Å; R159-I163 WeakPolarHBondContact O-CG1 3.39Å; R159-I163 PolarHBondContact O-N 2.86Å; V160-I163 PolarHBondContact O-N 2.98Å; Y161-I163 VanDerWaalsContact C-N 3.26Å; Y161-I163 PolarHBondContact O-N 2.81Å; I163-K166 PolarHBondContact O-N 3.16Å; I163-E167 WeakPolarHBondContact O-CG 3.39Å; I163-E167 PolarHBondContact O-N 3.36Å; I163-A323 HydrophobicContact CG2-CB 3.97Å; I163-F324 HydrophobicContact CB-CE1 4.12Å; I163-F324 HydrophobicContact CB-CE2 4.45Å; I163-F324 HydrophobicContact CB-CZ 3.82Å; I163-F324 HydrophobicContact CD1-CD1 4.24Å; I163-F324 HydrophobicContact CD1-CE1 3.73Å; I163-F324 HydrophobicContact CD1-CZ 4.33Å; I163-F324 HydrophobicContact CG2-CD1 4.47Å; I163-F324 HydrophobicContact CG2-CD2 4.29Å; I163-F324 HydrophobicContact CG2-CE1 3.98Å; I163-F324 HydrophobicContact CG2-CE2 3.77Å; I163-F324 HydrophobicContact CG2-CZ 3.59Å
164	L	96.3	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-43.3	178.2	-66.4	168	0	0	0	112	V160 Y161 E167 G168 I169 I171 V320 F324 V342 V345	V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 VanDerWaalsContact O-CG 3.29Å; V160-L164 WeakPolarHBondContact O-CG 3.36Å; V160-L164 PolarHBondContact O-N 2.86Å; Y161-L164 HydrophobicContact CD1-CD1 4.46Å; Y161-L164 WeakPolarHBondContact O-CB 3.47Å; Y161-L164 PolarHBondContact O-N 2.73Å; L164-E167 PolarHBondContact O-N 3.45Å; L164-G168 PolarHBondContact O-N 3.36Å; L164-I169 HydrophobicContact CB-CB 4.31Å; L164-I169 HydrophobicContact CD2-CB 4.21Å; L164-I169 HydrophobicContact CD2-CD1 3.53Å; L164-I169 HydrophobicContact CD2-CG1 4.49Å; L164-I169 HydrophobicContact CD2-CG2 4.06Å; L164-I169 WeakPolarHBondContact O-CB 3.48Å; L164-I169 PolarHBondContact O-N 2.82Å; L164-I171 HydrophobicContact CB-CG2 3.75Å; L164-I171 HydrophobicContact CD1-CG2 3.77Å; L164-I171 HydrophobicContact CG-CG2 4.32Å; L164-V320 HydrophobicContact CD2-CG2 4Å; L164-F324 HydrophobicContact CD2-CE2 3.88Å; L164-F324 HydrophobicContact CD2-CZ 4.39Å; L164-F324 HydrophobicContact CG-CE2 4.25Å; L164-F324 HydrophobicContact CG-CZ 4.27Å; L164-V342 HydrophobicContact CD1-CB 4.22Å; L164-V342 HydrophobicContact CD1-CG1 3.75Å; L164-V342 HydrophobicContact CD2-CB 4.41Å; L164-V342 HydrophobicContact CD2-CG1 4.11Å; L164-V345 HydrophobicContact CD1-CG2 4.24Å; L164-V345 HydrophobicContact CD2-CG2 4.37Å
165	E	94.7	Very high	95.2	Very high	107 Å²	107	49.7 Å²	49.7	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-61.7	-49.2	175.2	-70.1	-169.9	128.9	0	0	112	Y161 E167 G168 I171 Y174	Y161-E165 PolarHBondContact O-N 3.29Å; E165-E167 PolarHBondContact O-N 3.11Å; E165-G168 PolarHBondContact O-N 2.87Å; E165-I171 HydrophobicContact CG-CD1 3.59Å; E165-Y174 HydrophobicContact CG-CE1 4.31Å; E165-Y174 WeakPolarHBondContact OE1-CE1 3.37Å; E165-Y174 PolarHBondContact OE2-OH 2.98Å
166	K	95.4	Very high	95.2	Very high	174 Å²	174	48.5 Å²	48.5	76%	0.757	24%	0.237	S	C	*	.	H	α-helix	trans	-56.8	-36.8	-179.4	179.7	-175.8	173.2	-170.9	0	112.6	A162 I163 G168	A162-K166 VanDerWaalsContact O-CB 3.27Å; A162-K166 WeakPolarHBondContact O-CB 3.46Å; A162-K166 PolarHBondContact O-N 2.55Å; A162-K166 VanDerWaalsContact O-N 3.15Å; I163-K166 PolarHBondContact O-N 3.16Å; K166-G168 VanDerWaalsContact C-N 3.28Å
167	E	92.4	Very high	95.2	Very high	80 Å²	80	47.6 Å²	47.6	37%	0.374	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.3	179.3	-64.7	-67.9	142.2	0	0	113	I163 L164 E165 I169 K319 A323	I163-E167 WeakPolarHBondContact O-CG 3.39Å; I163-E167 PolarHBondContact O-N 3.36Å; L164-E167 PolarHBondContact O-N 3.45Å; E165-E167 PolarHBondContact O-N 3.11Å; E167-I169 HydrophobicContact CB-CD1 4.12Å; E167-I169 HydrophobicContact CB-CG1 4.35Å; E167-K319 WeakPolarHBondContact O-CE 3.26Å; E167-K319 PolarHBondContact O-NZ 3.39Å; E167-A323 HydrophobicContact CG-CB 3.71Å
168	G	92.9	Very high	94.9	Very high	50 Å²	50	48.6 Å²	48.6	52%	0.515	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	52.7	-176.3	0	0	0	0	0	111.8	L164 E165 K166 K319	L164-G168 PolarHBondContact O-N 3.36Å; E165-G168 PolarHBondContact O-N 2.87Å; K166-G168 VanDerWaalsContact C-N 3.28Å; G168-K319 PolarHBondContact O-NZ 2.85Å
169	I	93.8	Very high	94.6	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.056	24%	0.237	C	C	.	.			trans	-102.8	132.8	170.2	-64.6	162.3	0	0	0	108.3	L164 E167 I171 I316 K319 V320 V342	L164-I169 HydrophobicContact CB-CB 4.31Å; L164-I169 HydrophobicContact CD2-CB 4.21Å; L164-I169 HydrophobicContact CD2-CD1 3.53Å; L164-I169 HydrophobicContact CD2-CG1 4.49Å; L164-I169 HydrophobicContact CD2-CG2 4.06Å; L164-I169 WeakPolarHBondContact O-CB 3.48Å; L164-I169 PolarHBondContact O-N 2.82Å; E167-I169 HydrophobicContact CB-CD1 4.12Å; E167-I169 HydrophobicContact CB-CG1 4.35Å; I169-I171 PolarHBondContact O-N 3.24Å; I169-I316 HydrophobicContact CG2-CG1 4.36Å; I169-I316 HydrophobicContact CG2-CG2 4.11Å; I169-K319 HydrophobicContact CD1-CB 3.78Å; I169-K319 HydrophobicContact CD1-CD 4.32Å; I169-K319 HydrophobicContact CG1-CB 4.06Å; I169-K319 HydrophobicContact CG1-CD 3.7Å; I169-V320 HydrophobicContact CD1-CG2 3.91Å; I169-V342 HydrophobicContact CG2-CB 4.18Å; I169-V342 HydrophobicContact CG2-CG2 3.64Å
170	E	93.4	Very high	94	Very high	82 Å²	82	48.2 Å²	48.2	38%	0.383	25%	0.245	S	C	.	.			trans	-65.8	125.7	176.1	-61.8	-98.9	-171.9	0	0	110	K339 Y341 V342	E170-K339 VanDerWaalsContact OE1-CE 3.26Å; E170-K339 WeakPolarHBondContact OE1-CE 3.34Å; E170-K339 IonicContact OE1-NZ 3.7Å; E170-K339 PolarHBondContact OE1-NZ 3.49Å; E170-K339 IonicContact OE2-NZ 2.85Å; E170-K339 PolarHBondContact OE2-NZ 3.17Å; E170-Y341 HydrophobicContact CB-CD1 3.91Å; E170-Y341 HydrophobicContact CB-CE1 4.37Å; E170-Y341 CarbonylContact O-C 3.37Å; E170-Y341 VanDerWaalsContact O-CA 3.29Å; E170-Y341 WeakPolarHBondContact O-CA 3.49Å; E170-V342 PolarHBondContact O-N 2.97Å
171	I	95.5	Very high	93.4	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.118	25%	0.253	C	S	.	.			trans	-133.4	160.6	177	60.7	173	0	0	0	109.3	Y161 L164 E165 I169 Y174 V342	Y161-I171 HydrophobicContact CD2-CD1 4.02Å; Y161-I171 HydrophobicContact CG-CD1 4.38Å; L164-I171 HydrophobicContact CB-CG2 3.75Å; L164-I171 HydrophobicContact CD1-CG2 3.77Å; L164-I171 HydrophobicContact CG-CG2 4.32Å; E165-I171 HydrophobicContact CG-CD1 3.59Å; I169-I171 PolarHBondContact O-N 3.24Å; I171-Y174 HydrophobicContact CD1-CD1 3.89Å; I171-Y174 HydrophobicContact CD1-CE1 3.62Å; I171-V342 HydrophobicContact CG2-CB 4.32Å; I171-V342 WeakPolarHBondContact CG2-O 3.36Å
172	P	95.3	Very high	92.5	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	29%	0.294	C	S	.	.			trans	-57.1	139.5	169.2	-22.8	34.4	0	0	0	110.8	Y174 E260 M263 V342 C343	P172-Y174 PolarHBondContact O-N 2.93Å; P172-E260 HydrophobicContact CB-CB 4.11Å; P172-E260 HydrophobicContact CB-CG 4.41Å; P172-M263 HydrophobicContact CB-CG 4.16Å; P172-M263 HydrophobicContact CB-SD 4.19Å; P172-M263 HydrophobicContact CG-CG 3.92Å; P172-V342 WeakPolarHBondContact CD-O 3.41Å; P172-C343 HydrophobicContact CG-CB 4.48Å
173	R	95.3	Very high	91.8	Very high	111 Å²	111	56.1 Å²	56.1	42%	0.419	29%	0.29	S	S	.	.			trans	-57.6	131.1	170.9	-179.6	-173.1	69.1	107.8	2.5	108.4	I201 T202 E260 D261	R173-I201 VanDerWaalsContact NH1-CG2 3.28Å; R173-T202 PolarHBondContact NH1-O 2.64Å; R173-T202 PolarHBondContact NH2-O 3.01Å; R173-E260 VanDerWaalsContact O-CA 3.25Å; R173-E260 WeakPolarHBondContact O-CA 3.33Å; R173-E260 WeakPolarHBondContact O-CB 3.3Å; R173-D261 WeakPolarHBondContact CB-OD2 3.18Å; R173-D261 IonicContact CZ-OD1 2.78Å; R173-D261 IonicContact CZ-OD2 2.67Å; R173-D261 IonicContact NE-OD1 2.85Å; R173-D261 IonicContact NE-OD2 3.16Å; R173-D261 PolarHBondContact NE-OD2 2.66Å; R173-D261 IonicContact NH2-OD1 3.2Å; R173-D261 PolarHBondContact NH2-OD1 2.89Å; R173-D261 IonicContact NH2-OD2 2.59Å; R173-D261 PolarHBondContact NH2-OD2 2.97Å; R173-D261 PolarHBondContact O-N 3.17Å
174	Y	96.5	Very high	91	Very high	38 Å²	38	59 Å²	59	15%	0.149	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	166.8	-172.2	79.7	-78.7	0	0	0	113.4	Y161 E165 I171 P172 V176 I258 Y259	Y161-Y174 AromaticContact CD2-CD1 3.62Å; Y161-Y174 HydrophobicContact CD2-CD1 3.62Å; Y161-Y174 AromaticContact CD2-CD2 3.81Å; Y161-Y174 HydrophobicContact CD2-CD2 3.81Å; Y161-Y174 AromaticContact CD2-CE1 3.75Å; Y161-Y174 HydrophobicContact CD2-CE1 3.75Å; Y161-Y174 AromaticContact CD2-CE2 3.93Å; Y161-Y174 HydrophobicContact CD2-CE2 3.93Å; Y161-Y174 AromaticContact CD2-CG 3.64Å; Y161-Y174 HydrophobicContact CD2-CG 3.64Å; Y161-Y174 AromaticContact CD2-CZ 3.89Å; Y161-Y174 HydrophobicContact CE2-CD1 4.21Å; Y161-Y174 HydrophobicContact CE2-CD2 4.44Å; Y161-Y174 HydrophobicContact CE2-CG 4.04Å; Y161-Y174 HydrophobicContact CG-CE1 4.46Å; Y161-Y174 HydrophobicContact CG-CE2 4.49Å; E165-Y174 HydrophobicContact CG-CE1 4.31Å; E165-Y174 WeakPolarHBondContact OE1-CE1 3.37Å; E165-Y174 PolarHBondContact OE2-OH 2.98Å; I171-Y174 HydrophobicContact CD1-CD1 3.89Å; I171-Y174 HydrophobicContact CD1-CE1 3.62Å; P172-Y174 PolarHBondContact O-N 2.93Å; Y174-V176 HydrophobicContact CD2-CG2 4.14Å; Y174-V176 HydrophobicContact CE2-CG2 3.75Å; Y174-I258 HydrophobicContact CD2-CG2 3.84Å; Y174-I258 HydrophobicContact CG-CG2 4.28Å; Y174-Y259 CarbonylContact C-O 3.59Å; Y174-Y259 WeakPolarHBondContact CA-O 3.01Å; Y174-Y259 WeakPolarHBondContact CB-O 3.42Å
175	A	95.7	Very high	90	Very high	6 Å²	6	65.5 Å²	65.5	5%	0.05	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.3	167.5	0	0	0	0	0	109.9	V198 I201 F203 I258 Y259	A175-V198 HydrophobicContact CB-CB 3.93Å; A175-V198 HydrophobicContact CB-CG1 3.72Å; A175-I201 HydrophobicContact CB-CB 4.33Å; A175-I201 HydrophobicContact CB-CD1 4.12Å; A175-F203 HydrophobicContact CB-CE2 3.58Å; A175-F203 HydrophobicContact CB-CZ 3.74Å; A175-I258 WeakPolarHBondContact O-CA 3.43Å; A175-Y259 PolarHBondContact N-O 2.89Å; A175-Y259 PolarHBondContact O-N 3.05Å
176	V	95.1	Very high	89.4	Confident	31 Å²	31	64.2 Å²	64.2	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.3	177.8	-169.1	0	0	0	0	109.6	R158 Y174 D178 N199 V212 I258	R158-V176 HydrophobicContact CG-CG1 3.78Å; R158-V176 HydrophobicContact CG-CG2 4.29Å; Y174-V176 HydrophobicContact CD2-CG2 4.14Å; Y174-V176 HydrophobicContact CE2-CG2 3.75Å; V176-D178 HydrophobicContact CG1-CB 4.08Å; V176-N199 PolarHBondContact O-ND2 3.34Å; V176-V212 HydrophobicContact CG1-CG1 4.36Å; V176-I258 HydrophobicContact CG2-CG1 4.32Å
177	L	94.4	Very high	88.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	98.2	167.2	-172.9	68.7	0	0	0	108.1	R179 L189 V198 S256 F257 Y259	L177-R179 VanDerWaalsContact CD2-CZ 3.47Å; L177-R179 VanDerWaalsContact CD2-NH2 3.29Å; L177-R179 HydrophobicContact CG-CG 4.27Å; L177-L189 HydrophobicContact CD1-CB 3.94Å; L177-L189 HydrophobicContact CD2-CB 3.83Å; L177-L189 HydrophobicContact CD2-CD1 4.38Å; L177-L189 HydrophobicContact CD2-CD2 3.77Å; L177-L189 HydrophobicContact CD2-CG 4.19Å; L177-V198 HydrophobicContact CB-CG1 3.95Å; L177-V198 HydrophobicContact CD1-CG1 4.34Å; L177-S256 WeakPolarHBondContact O-CA 3.49Å; L177-S256 WeakPolarHBondContact O-CB 3.4Å; L177-F257 PolarHBondContact N-O 2.9Å; L177-F257 PolarHBondContact O-N 2.83Å; L177-Y259 HydrophobicContact CB-CD2 4.17Å; L177-Y259 HydrophobicContact CB-CE2 3.78Å; L177-Y259 HydrophobicContact CD2-CE2 3.77Å; L177-Y259 HydrophobicContact CG-CE2 4.45Å
178	D	90.4	Very high	88.5	Confident	28 Å²	28	60.8 Å²	60.8	15%	0.15	32%	0.319	C	S	.	.			trans	-104.7	79.1	-168.2	-154.2	-26.8	0	0	0	110.5	R158 V176 D180 S181 H186 H187	R158-D178 WeakPolarHBondContact CD-OD2 3.43Å; R158-D178 IonicContact CZ-OD2 3.76Å; R158-D178 IonicContact NE-OD2 2.7Å; R158-D178 IonicContact NH1-OD1 2.68Å; R158-D178 PolarHBondContact NH1-OD1 3.2Å; R158-D178 IonicContact NH1-OD2 2.77Å; R158-D178 PolarHBondContact NH1-OD2 3.26Å; V176-D178 HydrophobicContact CG1-CB 4.08Å; D178-D180 PolarHBondContact O-N 2.84Å; D178-D180 VanDerWaalsContact O-N 3.15Å; D178-S181 WeakPolarHBondContact O-CB 3.28Å; D178-S181 PolarHBondContact O-N 3.5Å; D178-S181 VanDerWaalsContact O-N 3.08Å; D178-H186 HydrophobicContact CB-CB 4.19Å; D178-H186 PolarHBondContact N-O 3.02Å; D178-H187 PolarHBondContact O-CD2 2.97Å; D178-H187 PolarHBondContact O-NE2 3.3Å; D178-H187 VanDerWaalsContact O-NE2 3.15Å
179	R	87.1	Confident	88.5	Confident	63 Å²	63	60.5 Å²	60.5	24%	0.238	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-3.5	-176.9	-59.3	-169.2	179.1	119	-9.6	114.2	L177 L189 R252 G255 S256	L177-R179 VanDerWaalsContact CD2-CZ 3.47Å; L177-R179 VanDerWaalsContact CD2-NH2 3.29Å; L177-R179 HydrophobicContact CG-CG 4.27Å; R179-L189 VanDerWaalsContact NH2-CD2 3.32Å; R179-R252 PolarHBondContact NH1-O 2.77Å; R179-R252 PolarHBondContact NH2-O 3.1Å; R179-G255 WeakPolarHBondContact CD-O 3.43Å; R179-G255 PolarHBondContact NH1-O 3.32Å; R179-S256 PolarHBondContact N-OG 2.94Å
180	D	83.1	Confident	88.4	Confident	121 Å²	121	64.6 Å²	64.6	65%	0.647	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	1.2	174.3	-52.3	-66.8	0	0	0	111.7	D178 S256	D178-D180 PolarHBondContact O-N 2.84Å; D178-D180 VanDerWaalsContact O-N 3.15Å; D180-S256 PolarHBondContact N-OG 2.83Å; D180-S256 VanDerWaalsContact OD2-CB 3.31Å; D180-S256 WeakPolarHBondContact OD2-CB 3.18Å; D180-S256 PolarHBondContact OD2-OG 2.93Å
181	S	83.7	Confident	88.4	Confident	27 Å²	27	63 Å²	63	19%	0.189	32%	0.319	C	S	.	.			trans	-80.4	147.3	-177	-171.3	0	0	0	0	113.2	D178 D183 H187	D178-S181 WeakPolarHBondContact O-CB 3.28Å; D178-S181 PolarHBondContact O-N 3.5Å; D178-S181 VanDerWaalsContact O-N 3.08Å; S181-D183 PolarHBondContact OG-N 3.1Å; S181-H187 PolarHBondContact O-CE1 3.44Å; S181-H187 VanDerWaalsContact O-CE1 3.22Å; S181-H187 PolarHBondContact O-NE2 3.48Å; S181-H187 VanDerWaalsContact O-NE2 3.15Å
182	P	79.4	Confident	88.3	Confident	132 Å²	132	64.1 Å²	64.1	86%	0.857	33%	0.329	S	S	*	.	S	Bend	trans	-78.6	-12.1	170.9	32.3	-35.9	0	0	0	114.2
183	D	81.1	Confident	87.9	Confident	63 Å²	63	71.2 Å²	71.2	34%	0.337	36%	0.362	S	S	.	.	S	Bend	trans	-94.3	116.3	176.1	-171.8	-21	0	0	0	110.8	S181 K185 H186	S181-D183 PolarHBondContact OG-N 3.1Å; D183-K185 PolarHBondContact O-N 3.26Å; D183-K185 WeakPolarHBondContact OD1-CB 2.97Å; D183-K185 WeakPolarHBondContact OD1-CG 3.35Å; D183-K185 PolarHBondContact OD1-N 3.3Å; D183-H186 PolarHBondContact O-N 2.96Å; D183-H186 VanDerWaalsContact O-N 3.12Å
184	P	79.2	Confident	87.7	Confident	91 Å²	91	68.6 Å²	68.6	59%	0.591	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-54	-24.9	177.7	-27.1	35.8	0	0	0	115.4	H186 H187	P184-H186 PolarHBondContact O-N 2.77Å; P184-H187 WeakPolarHBondContact O-CB 3.19Å; P184-H187 PolarHBondContact O-N 3.32Å
185	K	76.8	Confident	87.6	Confident	136 Å²	136	69.8 Å²	69.8	59%	0.591	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-64.6	-18.1	179.1	-66.5	173.3	-179.4	173.9	0	114	D183 H187 N199	D183-K185 PolarHBondContact O-N 3.26Å; D183-K185 WeakPolarHBondContact OD1-CB 2.97Å; D183-K185 WeakPolarHBondContact OD1-CG 3.35Å; D183-K185 PolarHBondContact OD1-N 3.3Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-N199 PolarHBondContact O-OD1 3.37Å
186	H	80.5	Confident	87.6	Confident	80 Å²	80	69.5 Å²	69.5	37%	0.37	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-91.1	4.4	175.4	-65	-48.6	0	0	0	113.3	D178 D183 P184	D178-H186 HydrophobicContact CB-CB 4.19Å; D178-H186 PolarHBondContact N-O 3.02Å; D183-H186 PolarHBondContact O-N 2.96Å; D183-H186 VanDerWaalsContact O-N 3.12Å; P184-H186 PolarHBondContact O-N 2.77Å
187	H	84.3	Confident	87.6	Confident	76 Å²	76	71 Å²	71	35%	0.352	37%	0.366	S	S	.	.	S	Bend	trans	-104.6	-0.1	177.6	-55.3	161.6	0	0	0	113.2	D178 S181 P184 K185 L189	D178-H187 PolarHBondContact O-CD2 2.97Å; D178-H187 PolarHBondContact O-NE2 3.3Å; D178-H187 VanDerWaalsContact O-NE2 3.15Å; S181-H187 PolarHBondContact O-CE1 3.44Å; S181-H187 VanDerWaalsContact O-CE1 3.22Å; S181-H187 PolarHBondContact O-NE2 3.48Å; S181-H187 VanDerWaalsContact O-NE2 3.15Å; P184-H187 WeakPolarHBondContact O-CB 3.19Å; P184-H187 PolarHBondContact O-N 3.32Å; K185-H187 VanDerWaalsContact C-N 3.32Å; H187-L189 PolarHBondContact O-N 3.25Å; H187-L189 VanDerWaalsContact O-N 3.14Å
188	E	84.9	Confident	87.6	Confident	107 Å²	107	71 Å²	71	50%	0.5	37%	0.366	S	S	.	.			trans	-74.3	104.5	-172.8	-68.2	-177.8	-172.2	0	0	111.1	V198 N199	E188-V198 WeakPolarHBondContact O-CA 3.45Å; E188-N199 PolarHBondContact O-N 3.05Å; E188-N199 PolarHBondContact O-OD1 2.88Å
189	L	92.6	Very high	87.6	Confident	43 Å²	43	71.8 Å²	71.8	23%	0.225	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116.2	174.8	172.4	68.1	0	0	0	110.2	L177 R179 H187 V196 E197 V198 V251	L177-L189 HydrophobicContact CD1-CB 3.94Å; L177-L189 HydrophobicContact CD2-CB 3.83Å; L177-L189 HydrophobicContact CD2-CD1 4.38Å; L177-L189 HydrophobicContact CD2-CD2 3.77Å; L177-L189 HydrophobicContact CD2-CG 4.19Å; R179-L189 VanDerWaalsContact NH2-CD2 3.32Å; H187-L189 PolarHBondContact O-N 3.25Å; H187-L189 VanDerWaalsContact O-N 3.14Å; L189-V196 HydrophobicContact CD1-CB 4.11Å; L189-V196 HydrophobicContact CD1-CG1 4.4Å; L189-E197 WeakPolarHBondContact CA-O 3.37Å; L189-V198 HydrophobicContact CD1-CG2 3.95Å; L189-V251 HydrophobicContact CD1-CG2 4.33Å; L189-V251 HydrophobicContact CD2-CG2 3.73Å
190	I	92.9	Very high	87.7	Confident	97 Å²	97	71.2 Å²	71.2	50%	0.497	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.6	167.2	-49.1	178.6	0	0	0	107.9	V196 E197	I190-V196 CarbonylContact O-C 3.56Å; I190-V196 WeakPolarHBondContact O-CA 3.25Å; I190-E197 HydrophobicContact CB-CB 4.12Å; I190-E197 PolarHBondContact N-O 3.05Å; I190-E197 PolarHBondContact O-N 3.46Å
191	E	93.3	Very high	88.2	Confident	50 Å²	50	68.7 Å²	68.7	23%	0.234	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.5	178.2	174.9	178.3	-100.9	0	0	110.2	V196 R250 V251 K253	E191-V196 HydrophobicContact CB-CG1 4.5Å; E191-V196 HydrophobicContact CG-CG1 4.5Å; E191-R250 VanDerWaalsContact OE1-CA 3.28Å; E191-R250 WeakPolarHBondContact OE1-CA 3.29Å; E191-R250 WeakPolarHBondContact OE1-CB 3.35Å; E191-R250 IonicContact OE2-CZ 3.45Å; E191-R250 IonicContact OE2-NH1 2.69Å; E191-R250 PolarHBondContact OE2-NH1 2.96Å; E191-V251 WeakPolarHBondContact OE1-CG2 3.37Å; E191-V251 PolarHBondContact OE1-N 2.99Å; E191-K253 IonicContact OE1-NZ 3.43Å; E191-K253 PolarHBondContact OE1-NZ 3.34Å; E191-K253 IonicContact OE2-NZ 3.38Å; E191-K253 PolarHBondContact OE2-NZ 3.28Å
192	S	91.9	Very high	88.8	Confident	45 Å²	45	70 Å²	70	32%	0.315	38%	0.376	S	S	.	.			trans	-109.9	177.4	171.6	-64.8	0	0	0	0	110.4	H195	S192-H195 CarbonylContact C-O 3.54Å; S192-H195 WeakPolarHBondContact CA-O 3.21Å; S192-H195 VanDerWaalsContact CB-CE1 3.43Å; S192-H195 WeakPolarHBondContact CB-CE1 3.48Å; S192-H195 VanDerWaalsContact CB-NE2 3.29Å; S192-H195 WeakPolarHBondContact CB-NE2 3.29Å; S192-H195 WeakPolarHBondContact CB-O 3.5Å; S192-H195 PolarHBondContact N-O 3.27Å; S192-H195 PolarHBondContact OG-CD2 3.22Å; S192-H195 PolarHBondContact OG-CE1 2.77Å; S192-H195 VanDerWaalsContact OG-CE1 3.31Å; S192-H195 PolarHBondContact OG-NE2 3.42Å
193	E	88.5	Confident	89.6	Confident	151 Å²	151	63.8 Å²	63.8	71%	0.706	34%	0.336	S	S	*	.	S	Bend	trans	-62.3	-48.1	-179.3	-173.9	166.6	-152.7	0	0	112.6	K205	E193-K205 WeakPolarHBondContact O-CE 3.35Å; E193-K205 PolarHBondContact O-NZ 3.29Å
194	D	91.1	Very high	90.2	Very high	55 Å²	55	65.8 Å²	65.8	29%	0.294	35%	0.347	S	S	.	.	S	Bend	trans	-117.3	9.8	-175.7	-98	-15	0	0	0	115.1	K205 P224 T225	D194-K205 WeakPolarHBondContact O-CG 3.49Å; D194-K205 PolarHBondContact O-N 3.38Å; D194-P224 WeakPolarHBondContact OD1-CA 3.18Å; D194-T225 PolarHBondContact OD1-N 3.37Å; D194-T225 PolarHBondContact OD1-OG1 2.89Å; D194-T225 PolarHBondContact OD2-N 2.59Å
195	H	94	Very high	90.9	Very high	63 Å²	63	62.5 Å²	62.5	29%	0.292	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	164.4	172.6	65.3	-102.6	0	0	0	112.6	S192 T202 F203 N204	S192-H195 CarbonylContact C-O 3.54Å; S192-H195 WeakPolarHBondContact CA-O 3.21Å; S192-H195 VanDerWaalsContact CB-CE1 3.43Å; S192-H195 WeakPolarHBondContact CB-CE1 3.48Å; S192-H195 VanDerWaalsContact CB-NE2 3.29Å; S192-H195 WeakPolarHBondContact CB-NE2 3.29Å; S192-H195 WeakPolarHBondContact CB-O 3.5Å; S192-H195 PolarHBondContact N-O 3.27Å; S192-H195 PolarHBondContact OG-CD2 3.22Å; S192-H195 PolarHBondContact OG-CE1 2.77Å; S192-H195 VanDerWaalsContact OG-CE1 3.31Å; S192-H195 PolarHBondContact OG-NE2 3.42Å; H195-T202 HydrophobicContact CB-CG2 4.15Å; H195-F203 CarbonylContact C-O 3.59Å; H195-F203 VanDerWaalsContact CA-O 3.23Å; H195-F203 WeakPolarHBondContact CA-O 3.3Å; H195-F203 WeakPolarHBondContact CB-O 3.42Å; H195-N204 WeakPolarHBondContact CB-OD1 3.43Å
196	V	95.8	Very high	91.7	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	155.6	162.2	-64.8	0	0	0	0	110.2	L189 I190 E191 V198 T202 F203 F207 V251 Y259	L189-V196 HydrophobicContact CD1-CB 4.11Å; L189-V196 HydrophobicContact CD1-CG1 4.4Å; I190-V196 CarbonylContact O-C 3.56Å; I190-V196 WeakPolarHBondContact O-CA 3.25Å; E191-V196 HydrophobicContact CB-CG1 4.5Å; E191-V196 HydrophobicContact CG-CG1 4.5Å; V196-V198 HydrophobicContact CG2-CG2 4.33Å; V196-T202 CarbonylContact O-C 3.49Å; V196-T202 WeakPolarHBondContact O-CA 3.24Å; V196-F203 HydrophobicContact CG2-CB 4.07Å; V196-F203 PolarHBondContact N-O 3.29Å; V196-F203 PolarHBondContact O-N 3.43Å; V196-F207 HydrophobicContact CB-CE1 4.45Å; V196-F207 HydrophobicContact CB-CZ 4.35Å; V196-F207 HydrophobicContact CG1-CE1 4.06Å; V196-F207 HydrophobicContact CG1-CZ 3.71Å; V196-F207 HydrophobicContact CG2-CD1 4.3Å; V196-F207 HydrophobicContact CG2-CE1 3.81Å; V196-F207 HydrophobicContact CG2-CE2 4.1Å; V196-F207 HydrophobicContact CG2-CZ 3.72Å; V196-V251 HydrophobicContact CG1-CG1 3.78Å; V196-V251 HydrophobicContact CG1-CG2 4.32Å; V196-Y259 HydrophobicContact CG2-CD1 4.25Å
197	E	95.6	Very high	92.4	Very high	62 Å²	62	54.6 Å²	54.6	29%	0.29	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.7	170.8	-165.5	180	127.1	0	0	108.7	L189 I190 I201	L189-E197 WeakPolarHBondContact CA-O 3.37Å; I190-E197 HydrophobicContact CB-CB 4.12Å; I190-E197 PolarHBondContact N-O 3.05Å; I190-E197 PolarHBondContact O-N 3.46Å; E197-I201 WeakPolarHBondContact CA-O 3.45Å
198	V	94.1	Very high	93	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.9	-173.6	178.6	0	0	0	0	108.2	A175 L177 E188 L189 V196 G200 I201 F203 Y259	A175-V198 HydrophobicContact CB-CB 3.93Å; A175-V198 HydrophobicContact CB-CG1 3.72Å; L177-V198 HydrophobicContact CB-CG1 3.95Å; L177-V198 HydrophobicContact CD1-CG1 4.34Å; E188-V198 WeakPolarHBondContact O-CA 3.45Å; L189-V198 HydrophobicContact CD1-CG2 3.95Å; V196-V198 HydrophobicContact CG2-CG2 4.33Å; V198-G200 PolarHBondContact O-N 2.85Å; V198-I201 PolarHBondContact N-O 2.68Å; V198-I201 WeakPolarHBondContact O-CB 3.5Å; V198-I201 PolarHBondContact O-N 2.65Å; V198-F203 HydrophobicContact CB-CE2 4.41Å; V198-Y259 HydrophobicContact CG1-CD2 4.29Å; V198-Y259 HydrophobicContact CG2-CD2 3.57Å; V198-Y259 HydrophobicContact CG2-CE2 4.12Å; V198-Y259 HydrophobicContact CG2-CG 3.91Å
199	N	90.1	Very high	93.6	Very high	45 Å²	45	46.4 Å²	46.4	24%	0.241	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	43.8	-175.1	-44.7	-22.6	0	0	0	112.5	V176 K185 E188 I201	V176-N199 PolarHBondContact O-ND2 3.34Å; K185-N199 PolarHBondContact O-OD1 3.37Å; E188-N199 PolarHBondContact O-N 3.05Å; E188-N199 PolarHBondContact O-OD1 2.88Å; N199-I201 PolarHBondContact O-N 2.77Å
200	G	88.5	Confident	93.9	Very high	50 Å²	50	44.8 Å²	44.8	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	0.7	-176.9	0	0	0	0	0	116.3	V198	V198-G200 PolarHBondContact O-N 2.85Å
201	I	93.6	Very high	94.1	Very high	69 Å²	69	40.5 Å²	40.5	35%	0.354	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.8	-179.4	-55	177	0	0	0	110.2	R173 A175 E197 V198 N199 F203	R173-I201 VanDerWaalsContact NH1-CG2 3.28Å; A175-I201 HydrophobicContact CB-CB 4.33Å; A175-I201 HydrophobicContact CB-CD1 4.12Å; E197-I201 WeakPolarHBondContact CA-O 3.45Å; V198-I201 PolarHBondContact N-O 2.68Å; V198-I201 WeakPolarHBondContact O-CB 3.5Å; V198-I201 PolarHBondContact O-N 2.65Å; N199-I201 PolarHBondContact O-N 2.77Å; I201-F203 HydrophobicContact CB-CE2 3.96Å; I201-F203 HydrophobicContact CB-CZ 4.41Å; I201-F203 HydrophobicContact CG2-CD2 4.4Å; I201-F203 HydrophobicContact CG2-CE2 3.51Å; I201-F203 HydrophobicContact CG2-CZ 3.57Å; I201-F203 VanDerWaalsContact O-CD2 3.29Å; I201-F203 WeakPolarHBondContact O-CD2 3.15Å; I201-F203 WeakPolarHBondContact O-CE2 3.41Å
202	T	95.7	Very high	94.1	Very high	55 Å²	55	39 Å²	39	34%	0.337	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138	179.3	-34.7	0	0	0	0	112.7	R173 H195 V196	R173-T202 PolarHBondContact NH1-O 2.64Å; R173-T202 PolarHBondContact NH2-O 3.01Å; H195-T202 HydrophobicContact CB-CG2 4.15Å; V196-T202 CarbonylContact O-C 3.49Å; V196-T202 WeakPolarHBondContact O-CA 3.24Å
203	F	96.6	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.3	172.2	-63	-89.4	0	0	0	109.2	A175 H195 V196 V198 I201 F207 D261	A175-F203 HydrophobicContact CB-CE2 3.58Å; A175-F203 HydrophobicContact CB-CZ 3.74Å; H195-F203 CarbonylContact C-O 3.59Å; H195-F203 VanDerWaalsContact CA-O 3.23Å; H195-F203 WeakPolarHBondContact CA-O 3.3Å; H195-F203 WeakPolarHBondContact CB-O 3.42Å; V196-F203 HydrophobicContact CG2-CB 4.07Å; V196-F203 PolarHBondContact N-O 3.29Å; V196-F203 PolarHBondContact O-N 3.43Å; V198-F203 HydrophobicContact CB-CE2 4.41Å; I201-F203 HydrophobicContact CB-CE2 3.96Å; I201-F203 HydrophobicContact CB-CZ 4.41Å; I201-F203 HydrophobicContact CG2-CD2 4.4Å; I201-F203 HydrophobicContact CG2-CE2 3.51Å; I201-F203 HydrophobicContact CG2-CZ 3.57Å; I201-F203 VanDerWaalsContact O-CD2 3.29Å; I201-F203 WeakPolarHBondContact O-CD2 3.15Å; I201-F203 WeakPolarHBondContact O-CE2 3.41Å; F203-F207 HydrophobicContact CB-CB 4.12Å; F203-F207 HydrophobicContact CB-CD1 4.25Å; F203-F207 HydrophobicContact CB-CG 4.27Å; F203-D261 WeakPolarHBondContact CD1-OD1 3.35Å
204	N	94.6	Very high	94.5	Very high	106 Å²	106	33.1 Å²	33.1	57%	0.567	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	148.6	174.4	-63.8	-49	0	0	0	110	H195 P206	H195-N204 WeakPolarHBondContact CB-OD1 3.43Å; N204-P206 CarbonylContact O-C 3.6Å
205	K	92.9	Very high	94.4	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.096	20%	0.199	C	C	.	.	S	Bend	trans	-71.5	136.5	173.4	-66.3	-178.6	-172.5	173.5	0	110.2	E193 D194 F207 Y223 P224 S249	E193-K205 WeakPolarHBondContact O-CE 3.35Å; E193-K205 PolarHBondContact O-NZ 3.29Å; D194-K205 WeakPolarHBondContact O-CG 3.49Å; D194-K205 PolarHBondContact O-N 3.38Å; K205-F207 HydrophobicContact CB-CD1 4.45Å; K205-F207 HydrophobicContact CD-CE1 4.33Å; K205-F207 HydrophobicContact CG-CD1 3.68Å; K205-F207 HydrophobicContact CG-CE1 3.45Å; K205-F207 VanDerWaalsContact CG-CE1 3.45Å; K205-F207 HydrophobicContact CG-CZ 4.45Å; K205-Y223 VanDerWaalsContact CD-O 3.29Å; K205-Y223 WeakPolarHBondContact CD-O 3.21Å; K205-P224 HydrophobicContact CB-CB 3.84Å; K205-P224 HydrophobicContact CB-CG 4.47Å; K205-S249 PolarHBondContact NZ-O 3.31Å
206	P	93.6	Very high	94.3	Very high	49 Å²	49	34 Å²	34	32%	0.318	20%	0.199	S	C	.	.	S	Bend	cis	-80.5	140	5	31.4	-33.9	0	0	0	114.8	N204 Y222 F262	N204-P206 CarbonylContact O-C 3.6Å; P206-Y222 WeakPolarHBondContact CA-O 3.47Å; P206-Y222 WeakPolarHBondContact CB-O 3.33Å; P206-F262 HydrophobicContact CB-CB 3.82Å; P206-F262 HydrophobicContact CB-CD1 4.09Å; P206-F262 HydrophobicContact CB-CG 3.98Å; P206-F262 HydrophobicContact CG-CB 3.98Å; P206-F262 HydrophobicContact CG-CD1 3.72Å; P206-F262 HydrophobicContact CG-CG 4.08Å; P206-F262 WeakPolarHBondContact O-CB 3.49Å; P206-F262 PolarHBondContact O-N 3.01Å
207	F	96.3	Very high	94.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162.8	171.9	65.5	-105.8	0	0	0	110.6	V196 F203 K205 I221 Y222 V251 Y259 E260	V196-F207 HydrophobicContact CB-CE1 4.45Å; V196-F207 HydrophobicContact CB-CZ 4.35Å; V196-F207 HydrophobicContact CG1-CE1 4.06Å; V196-F207 HydrophobicContact CG1-CZ 3.71Å; V196-F207 HydrophobicContact CG2-CD1 4.3Å; V196-F207 HydrophobicContact CG2-CE1 3.81Å; V196-F207 HydrophobicContact CG2-CE2 4.1Å; V196-F207 HydrophobicContact CG2-CZ 3.72Å; F203-F207 HydrophobicContact CB-CB 4.12Å; F203-F207 HydrophobicContact CB-CD1 4.25Å; F203-F207 HydrophobicContact CB-CG 4.27Å; K205-F207 HydrophobicContact CB-CD1 4.45Å; K205-F207 HydrophobicContact CD-CE1 4.33Å; K205-F207 HydrophobicContact CG-CD1 3.68Å; K205-F207 HydrophobicContact CG-CE1 3.45Å; K205-F207 VanDerWaalsContact CG-CE1 3.45Å; K205-F207 HydrophobicContact CG-CZ 4.45Å; F207-I221 WeakPolarHBondContact O-CA 3.46Å; F207-Y222 HydrophobicContact CD2-CD2 4.18Å; F207-Y222 AromaticContact CE2-CD2 3.48Å; F207-Y222 HydrophobicContact CE2-CD2 3.48Å; F207-Y222 VanDerWaalsContact CE2-CD2 3.48Å; F207-Y222 HydrophobicContact CE2-CE2 4.34Å; F207-Y222 AromaticContact CE2-CG 3.89Å; F207-Y222 HydrophobicContact CE2-CG 3.89Å; F207-Y222 HydrophobicContact CZ-CD2 4Å; F207-Y222 AromaticContact CZ-CG 3.96Å; F207-Y222 HydrophobicContact CZ-CG 3.96Å; F207-Y222 PolarHBondContact N-O 3.28Å; F207-Y222 PolarHBondContact O-N 3.45Å; F207-V251 HydrophobicContact CE2-CG1 3.76Å; F207-V251 HydrophobicContact CZ-CG1 3.57Å; F207-Y259 HydrophobicContact CD2-CD1 4.1Å; F207-Y259 AromaticContact CE2-CD1 3.88Å; F207-Y259 HydrophobicContact CE2-CD1 3.88Å; F207-Y259 HydrophobicContact CE2-CE1 4.16Å; F207-E260 WeakPolarHBondContact CA-O 3.42Å; F207-E260 WeakPolarHBondContact CB-O 3.16Å
208	V	97.3	Very high	94.1	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.6	-179	-172.4	0	0	0	0	110.3	K210 I219 Y220 I221 Y259 E260 F262	V208-K210 HydrophobicContact CG1-CG 4.21Å; V208-I219 HydrophobicContact CG1-CG2 3.44Å; V208-I219 VanDerWaalsContact CG1-CG2 3.44Å; V208-Y220 CarbonylContact C-O 3.55Å; V208-Y220 WeakPolarHBondContact CA-O 3.48Å; V208-I221 HydrophobicContact CG1-CG1 4.29Å; V208-I221 HydrophobicContact CG2-CG1 4.18Å; V208-I221 HydrophobicContact CG2-CG2 4.35Å; V208-Y259 CarbonylContact O-C 3.47Å; V208-Y259 WeakPolarHBondContact O-CA 3.21Å; V208-E260 HydrophobicContact CB-CG 3.72Å; V208-E260 HydrophobicContact CG1-CG 4.45Å; V208-E260 HydrophobicContact CG2-CG 4.4Å; V208-E260 PolarHBondContact N-O 3.3Å; V208-E260 PolarHBondContact O-N 3.21Å; V208-F262 HydrophobicContact CG2-CB 4.22Å; V208-F262 HydrophobicContact CG2-CD2 3.95Å
209	E	97.5	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	109.3	178.1	-178.6	-166.8	-121.4	0	0	109.5	Y220 Y222 V251 R252 F257 I258 Y259	E209-Y220 PolarHBondContact N-O 2.87Å; E209-Y220 PolarHBondContact O-N 3.18Å; E209-Y222 HydrophobicContact CB-CE2 4.13Å; E209-V251 WeakPolarHBondContact OE1-CB 3.39Å; E209-R252 PolarHBondContact O-NH2 2.72Å; E209-R252 PolarHBondContact OE1-N 3.47Å; E209-R252 IonicContact OE2-CZ 3.63Å; E209-R252 IonicContact OE2-NE 2.68Å; E209-R252 PolarHBondContact OE2-NE 3.05Å; E209-R252 IonicContact OE2-NH2 2.91Å; E209-R252 PolarHBondContact OE2-NH2 2.97Å; E209-F257 HydrophobicContact CG-CB 3.95Å; E209-F257 HydrophobicContact CG-CD1 3.92Å; E209-F257 HydrophobicContact CG-CG 3.9Å; E209-I258 CarbonylContact C-O 3.2Å; E209-I258 WeakPolarHBondContact CA-O 3.27Å; E209-Y259 HydrophobicContact CB-CD1 4.05Å; E209-Y259 HydrophobicContact CB-CE1 3.84Å; E209-Y259 HydrophobicContact CG-CD1 4.07Å; E209-Y259 HydrophobicContact CG-CE1 3.47Å; E209-Y259 VanDerWaalsContact CG-CE1 3.47Å; E209-Y259 WeakPolarHBondContact OE1-CE1 3.32Å; E209-Y259 VanDerWaalsContact OE1-CZ 3.31Å; E209-Y259 PolarHBondContact OE1-OH 3.02Å
210	K	97.3	Very high	94.5	Very high	10 Å²	10	38 Å²	38	4%	0.043	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.3	-179	-66.7	175.4	178.1	165.6	0	110.5	Y161 V208 I219 F257 I258 E260 C343	Y161-K210 PolarHBondContact OH-NZ 3.32Å; V208-K210 HydrophobicContact CG1-CG 4.21Å; K210-I219 HydrophobicContact CG-CD1 4.15Å; K210-I219 HydrophobicContact CG-CG1 4.06Å; K210-I219 HydrophobicContact CG-CG2 3.8Å; K210-F257 CarbonylContact O-C 3.59Å; K210-F257 VanDerWaalsContact O-CA 3.28Å; K210-F257 WeakPolarHBondContact O-CA 3.3Å; K210-I258 HydrophobicContact CB-CB 4.4Å; K210-I258 PolarHBondContact N-O 2.66Å; K210-I258 PolarHBondContact O-N 2.61Å; K210-E260 WeakPolarHBondContact CE-OE1 3.46Å; K210-E260 WeakPolarHBondContact CE-OE2 3.44Å; K210-E260 IonicContact NZ-OE1 3.58Å; K210-E260 PolarHBondContact NZ-OE1 2.8Å; K210-E260 IonicContact NZ-OE2 2.72Å; K210-E260 PolarHBondContact NZ-OE2 2.9Å; K210-C343 PolarHBondContact NZ-O 3.29Å
211	P	96.8	Very high	94.8	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.045	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	142.2	168.7	-19.5	31.6	0	0	0	110.8	R157 S213 D216 N218 F257	R157-P211 WeakPolarHBondContact CD-O 3.44Å; R157-P211 PolarHBondContact NE-O 3.17Å; R157-P211 VanDerWaalsContact NE-O 3.1Å; P211-S213 PolarHBondContact O-N 3.14Å; P211-D216 HydrophobicContact CB-CB 3.9Å; P211-D216 HydrophobicContact CG-CB 4.02Å; P211-D216 WeakPolarHBondContact CG-OD2 3.46Å; P211-N218 WeakPolarHBondContact CD-O 3.46Å; P211-N218 WeakPolarHBondContact CG-O 3.38Å; P211-F257 HydrophobicContact CB-CD1 4.42Å; P211-F257 HydrophobicContact CB-CE1 4.33Å; P211-F257 HydrophobicContact CG-CD1 4.49Å; P211-F257 HydrophobicContact CG-CE1 4.26Å
212	V	95.3	Very high	94.8	Very high	19 Å²	19	32.7 Å²	32.7	12%	0.115	18%	0.179	C	C	.	.	S	Bend	trans	-60.9	-26.6	-179.9	-68.2	0	0	0	0	113.6	R157 R158 V176 S256 I258	R157-V212 PolarHBondContact N-O 3.37Å; R158-V212 HydrophobicContact CG-CB 4.25Å; R158-V212 HydrophobicContact CG-CG1 3.87Å; V176-V212 HydrophobicContact CG1-CG1 4.36Å; V212-S256 PolarHBondContact N-O 3.23Å; V212-S256 VanDerWaalsContact N-O 3.13Å; V212-I258 HydrophobicContact CG1-CG1 4.4Å
213	S	94.3	Very high	94.4	Very high	53 Å²	53	32.4 Å²	32.4	37%	0.371	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-74.5	128.5	171.2	-176	0	0	0	0	111.4	R157 P211 E215 D216	R157-S213 PolarHBondContact NE-O 3.5Å; P211-S213 PolarHBondContact O-N 3.14Å; S213-E215 VanDerWaalsContact C-N 3.33Å; S213-E215 PolarHBondContact OG-N 3.32Å; S213-D216 PolarHBondContact O-N 3.11Å
214	A	92.4	Very high	94	Very high	18 Å²	18	33.2 Å²	33.2	15%	0.149	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.7	173.3	0	0	0	0	0	112.9	I154 Q155 R157 D216	I154-A214 WeakPolarHBondContact O-CB 3.49Å; Q155-A214 PolarHBondContact O-N 3.22Å; R157-A214 HydrophobicContact CG-CB 4.1Å; R157-A214 PolarHBondContact NH2-O 2.97Å; A214-D216 VanDerWaalsContact C-N 3.26Å; A214-D216 PolarHBondContact O-N 2.82Å
215	E	89.3	Confident	93.4	Very high	82 Å²	82	31.5 Å²	31.5	38%	0.383	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.6	172.7	-75.9	-134.9	142.2	0	0	112.6	H124 K126 S213 H217	H124-E215 IonicContact CE1-OE1 2.62Å; H124-E215 PolarHBondContact CE1-OE1 3.3Å; K126-E215 PolarHBondContact N-OE1 2.65Å; K126-E215 VanDerWaalsContact N-OE1 3.13Å; S213-E215 VanDerWaalsContact C-N 3.33Å; S213-E215 PolarHBondContact OG-N 3.32Å; E215-H217 PolarHBondContact O-CE1 3.18Å; E215-H217 PolarHBondContact O-ND1 2.74Å
216	D	92.9	Very high	92.7	Very high	54 Å²	54	35.9 Å²	35.9	29%	0.289	20%	0.204	S	C	.	.			trans	-82.9	130	169	-167.2	1.4	0	0	0	111	R157 P211 S213 A214 N218	R157-D216 PolarHBondContact NH2-O 2.97Å; P211-D216 HydrophobicContact CB-CB 3.9Å; P211-D216 HydrophobicContact CG-CB 4.02Å; P211-D216 WeakPolarHBondContact CG-OD2 3.46Å; S213-D216 PolarHBondContact O-N 3.11Å; A214-D216 VanDerWaalsContact C-N 3.26Å; A214-D216 PolarHBondContact O-N 2.82Å; D216-N218 WeakPolarHBondContact OD1-CB 3.25Å; D216-N218 PolarHBondContact OD1-N 2.87Å; D216-N218 PolarHBondContact OD1-ND2 2.95Å
217	H	92.1	Very high	91.7	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.292	22%	0.218	S	C	.	.			trans	-112.4	7.5	-176.3	-59.9	23.3	0	0	0	111.8	E215 I219 R236	E215-H217 PolarHBondContact O-CE1 3.18Å; E215-H217 PolarHBondContact O-ND1 2.74Å; H217-I219 PolarHBondContact O-N 3.41Å; H217-R236 HydrophobicContact CB-CB 4.19Å
218	N	94.8	Very high	90.8	Very high	68 Å²	68	40 Å²	40	36%	0.364	25%	0.248	S	C	.	.			trans	-76.5	70.3	175.1	-68.7	-72.7	0	0	0	110.7	P211 D216 Y220 L234 R252	P211-N218 WeakPolarHBondContact CD-O 3.46Å; P211-N218 WeakPolarHBondContact CG-O 3.38Å; D216-N218 WeakPolarHBondContact OD1-CB 3.25Å; D216-N218 PolarHBondContact OD1-N 2.87Å; D216-N218 PolarHBondContact OD1-ND2 2.95Å; N218-Y220 HydrophobicContact CB-CE1 4.34Å; N218-L234 WeakPolarHBondContact CA-O 3.24Å; N218-R252 PolarHBondContact O-NH1 3.25Å; N218-R252 PolarHBondContact O-NH2 2.79Å
219	I	96.3	Very high	90.1	Very high	28 Å²	28	39.9 Å²	39.9	14%	0.144	25%	0.248	C	C	.	.			trans	-89.8	125.1	179.7	-59.8	175	0	0	0	108.6	V208 K210 H217 L234	V208-I219 HydrophobicContact CG1-CG2 3.44Å; V208-I219 VanDerWaalsContact CG1-CG2 3.44Å; K210-I219 HydrophobicContact CG-CD1 4.15Å; K210-I219 HydrophobicContact CG-CG1 4.06Å; K210-I219 HydrophobicContact CG-CG2 3.8Å; H217-I219 PolarHBondContact O-N 3.41Å; I219-L234 HydrophobicContact CB-CB 4.32Å; I219-L234 HydrophobicContact CB-CD2 4.38Å; I219-L234 HydrophobicContact CG2-CD2 4.45Å; I219-L234 WeakPolarHBondContact O-CA 3.28Å; I219-L234 WeakPolarHBondContact O-CB 3.4Å; I219-L234 PolarHBondContact O-N 3.21Å
220	Y	96.8	Very high	89.7	Confident	35 Å²	35	39.9 Å²	39.9	14%	0.137	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.9	-178.3	-69.9	5.7	0	0	0	110	V208 E209 N218 Q232 R233 R252	V208-Y220 CarbonylContact C-O 3.55Å; V208-Y220 WeakPolarHBondContact CA-O 3.48Å; E209-Y220 PolarHBondContact N-O 2.87Å; E209-Y220 PolarHBondContact O-N 3.18Å; N218-Y220 HydrophobicContact CB-CE1 4.34Å; Y220-Q232 CarbonylContact C-O 3.57Å; Y220-Q232 WeakPolarHBondContact CA-O 3.29Å; Y220-R233 HydrophobicContact CD1-CB 3.82Å; Y220-R233 HydrophobicContact CD1-CG 3.79Å; Y220-R233 HydrophobicContact CD2-CG 4.19Å; Y220-R233 HydrophobicContact CE1-CB 3.65Å; Y220-R233 HydrophobicContact CE1-CG 3.7Å; Y220-R233 HydrophobicContact CE2-CG 4.07Å; Y220-R233 HydrophobicContact CG-CG 4.06Å; Y220-R252 HydrophobicContact CD2-CG 4.37Å; Y220-R252 HydrophobicContact CE2-CG 4.15Å
221	I	94.6	Very high	89.4	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.3	175.6	-49.1	178.5	0	0	0	107	F207 V208 Y223 S231 Q232 L234 F262 A289	F207-I221 WeakPolarHBondContact O-CA 3.46Å; V208-I221 HydrophobicContact CG1-CG1 4.29Å; V208-I221 HydrophobicContact CG2-CG1 4.18Å; V208-I221 HydrophobicContact CG2-CG2 4.35Å; I221-Y223 HydrophobicContact CG2-CE1 4.33Å; I221-S231 CarbonylContact O-C 3.56Å; I221-S231 WeakPolarHBondContact O-CA 3.36Å; I221-S231 WeakPolarHBondContact O-CB 3.42Å; I221-Q232 HydrophobicContact CB-CB 4.25Å; I221-Q232 PolarHBondContact N-O 3.4Å; I221-Q232 PolarHBondContact O-N 3.37Å; I221-L234 HydrophobicContact CD1-CD1 3.85Å; I221-L234 HydrophobicContact CG1-CD1 3.97Å; I221-F262 HydrophobicContact CD1-CD2 4.36Å; I221-F262 HydrophobicContact CD1-CE2 4.11Å; I221-F262 HydrophobicContact CG2-CD2 3.73Å; I221-F262 HydrophobicContact CG2-CE2 4.14Å; I221-A289 HydrophobicContact CD1-CB 3.47Å; I221-A289 VanDerWaalsContact CD1-CB 3.47Å
222	Y	94.2	Very high	89.1	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.6	-176.8	-74.2	-85.8	0	0	0	110.3	P206 F207 E209 R250 V251	P206-Y222 WeakPolarHBondContact CA-O 3.47Å; P206-Y222 WeakPolarHBondContact CB-O 3.33Å; F207-Y222 HydrophobicContact CD2-CD2 4.18Å; F207-Y222 AromaticContact CE2-CD2 3.48Å; F207-Y222 HydrophobicContact CE2-CD2 3.48Å; F207-Y222 VanDerWaalsContact CE2-CD2 3.48Å; F207-Y222 HydrophobicContact CE2-CE2 4.34Å; F207-Y222 AromaticContact CE2-CG 3.89Å; F207-Y222 HydrophobicContact CE2-CG 3.89Å; F207-Y222 HydrophobicContact CZ-CD2 4Å; F207-Y222 AromaticContact CZ-CG 3.96Å; F207-Y222 HydrophobicContact CZ-CG 3.96Å; F207-Y222 PolarHBondContact N-O 3.28Å; F207-Y222 PolarHBondContact O-N 3.45Å; E209-Y222 HydrophobicContact CB-CE2 4.13Å; Y222-R250 VanDerWaalsContact CE1-C 3.48Å; Y222-R250 WeakPolarHBondContact CE1-O 3.37Å; Y222-R250 VanDerWaalsContact CZ-O 3.28Å; Y222-R250 PolarHBondContact OH-O 3.19Å; Y222-V251 HydrophobicContact CD2-CG1 4.25Å; Y222-V251 HydrophobicContact CE1-CG1 4.49Å; Y222-V251 HydrophobicContact CE2-CG1 4.05Å; Y222-V251 WeakPolarHBondContact OH-CA 3.41Å
223	Y	87.2	Confident	89	Confident	49 Å²	49	41.7 Å²	41.7	19%	0.192	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-103.1	146.2	-176.6	-63.7	-59.3	0	0	0	112.3	K205 I221 G229 G230 Q232 Y245 A289	K205-Y223 VanDerWaalsContact CD-O 3.29Å; K205-Y223 WeakPolarHBondContact CD-O 3.21Å; I221-Y223 HydrophobicContact CG2-CE1 4.33Å; Y223-G229 WeakPolarHBondContact CB-O 3.24Å; Y223-G230 PolarHBondContact N-O 3.08Å; Y223-Q232 HydrophobicContact CE2-CB 3.8Å; Y223-Q232 WeakPolarHBondContact OH-CB 3.44Å; Y223-Y245 HydrophobicContact CD2-CD2 4.48Å; Y223-Y245 HydrophobicContact CD2-CE2 4.16Å; Y223-Y245 HydrophobicContact CE2-CD2 4.26Å; Y223-Y245 HydrophobicContact CE2-CE2 4.39Å; Y223-A289 PolarHBondContact OH-O 3.42Å
224	P	86.8	Confident	89	Confident	17 Å²	17	40.4 Å²	40.4	11%	0.11	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-71.2	153.9	-180	29.4	-34.2	0	0	0	111.7	D194 K205 S226 A227 G228 G229	D194-P224 WeakPolarHBondContact OD1-CA 3.18Å; K205-P224 HydrophobicContact CB-CB 3.84Å; K205-P224 HydrophobicContact CB-CG 4.47Å; P224-S226 PolarHBondContact O-N 2.97Å; P224-A227 HydrophobicContact CG-CB 3.96Å; P224-A227 WeakPolarHBondContact O-CA 3.45Å; P224-A227 WeakPolarHBondContact O-CB 3.34Å; P224-A227 PolarHBondContact O-N 3.39Å; P224-G228 PolarHBondContact O-N 2.91Å; P224-G229 PolarHBondContact O-N 2.87Å
225	T	82	Confident	89	Confident	70 Å²	70	42 Å²	42	43%	0.429	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-57.5	-32.9	176.9	-63.7	0	0	0	0	111.6	D194 A227 G228	D194-T225 PolarHBondContact OD1-N 3.37Å; D194-T225 PolarHBondContact OD1-OG1 2.89Å; D194-T225 PolarHBondContact OD2-N 2.59Å; T225-A227 PolarHBondContact O-N 3.19Å; T225-G228 PolarHBondContact O-N 3.1Å
226	S	78.1	Confident	89	Confident	114 Å²	114	46.7 Å²	46.7	80%	0.797	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-62.4	-19.3	172.7	61.3	0	0	0	0	115	P224	P224-S226 PolarHBondContact O-N 2.97Å
227	A	74	Confident	88.8	Confident	75 Å²	75	47.6 Å²	47.6	62%	0.62	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-102	4.2	173.8	0	0	0	0	0	113.3	P224 T225	P224-A227 HydrophobicContact CG-CB 3.96Å; P224-A227 WeakPolarHBondContact O-CA 3.45Å; P224-A227 WeakPolarHBondContact O-CB 3.34Å; P224-A227 PolarHBondContact O-N 3.39Å; T225-A227 PolarHBondContact O-N 3.19Å
228	G	76	Confident	88.5	Confident	61 Å²	61	50.5 Å²	50.5	63%	0.629	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	1.3	-175.9	0	0	0	0	0	115.1	P224 T225	P224-G228 PolarHBondContact O-N 2.91Å; T225-G228 PolarHBondContact O-N 3.1Å
229	G	83.5	Confident	88.1	Confident	7 Å²	7	49.7 Å²	49.7	7%	0.072	29%	0.285	C	S	.	.			trans	70	-157.9	178.4	0	0	0	0	0	114.3	Y223 P224 Y245	Y223-G229 WeakPolarHBondContact CB-O 3.24Å; P224-G229 PolarHBondContact O-N 2.87Å; G229-Y245 PolarHBondContact O-OH 2.96Å
230	G	89	Confident	87.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.01	30%	0.304	C	S	.	.			trans	78.9	-165.9	179.5	0	0	0	0	0	114.8	Y223 S246 E248 S249	Y223-G230 PolarHBondContact N-O 3.08Å; G230-S246 CarbonylContact C-O 3.6Å; G230-S246 WeakPolarHBondContact CA-O 3.1Å; G230-E248 CarbonylContact C-O 3.51Å; G230-E248 WeakPolarHBondContact CA-O 3.26Å; G230-S249 WeakPolarHBondContact CA-OG 3.31Å; G230-S249 PolarHBondContact N-OG 3.49Å
231	S	91.1	Very high	87.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141.3	-180	52	0	0	0	0	113.1	I221 S246 E248	I221-S231 CarbonylContact O-C 3.56Å; I221-S231 WeakPolarHBondContact O-CA 3.36Å; I221-S231 WeakPolarHBondContact O-CB 3.42Å; S231-S246 PolarHBondContact N-O 3.14Å; S231-S246 PolarHBondContact O-N 3.13Å; S231-E248 VanDerWaalsContact CB-O 3.31Å; S231-E248 WeakPolarHBondContact CB-O 3.38Å; S231-E248 PolarHBondContact N-O 2.9Å; S231-E248 VanDerWaalsContact N-O 3.14Å; S231-E248 PolarHBondContact OG-O 3.08Å
232	Q	90.3	Very high	86.8	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.028	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123.2	166.7	-167.9	80.2	-55.2	0	0	109.3	Y220 I221 Y223 L234 S243 V244 A289 L290	Y220-Q232 CarbonylContact C-O 3.57Å; Y220-Q232 WeakPolarHBondContact CA-O 3.29Å; I221-Q232 HydrophobicContact CB-CB 4.25Å; I221-Q232 PolarHBondContact N-O 3.4Å; I221-Q232 PolarHBondContact O-N 3.37Å; Y223-Q232 HydrophobicContact CE2-CB 3.8Å; Y223-Q232 WeakPolarHBondContact OH-CB 3.44Å; Q232-L234 HydrophobicContact CB-CD1 4.33Å; Q232-L234 HydrophobicContact CG-CD1 3.84Å; Q232-S243 PolarHBondContact NE2-OG 3.44Å; Q232-V244 PolarHBondContact OE1-O 3.28Å; Q232-A289 PolarHBondContact NE2-O 2.92Å; Q232-A289 VanDerWaalsContact NE2-O 3.12Å; Q232-L290 PolarHBondContact NE2-O 3.13Å
233	R	94	Very high	86.7	Confident	68 Å²	68	57.2 Å²	57.2	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	101.6	-178.2	-60.9	-175.6	177.6	-166.2	-0.8	109.7	Y220 F235 S243 V244 S246	Y220-R233 HydrophobicContact CD1-CB 3.82Å; Y220-R233 HydrophobicContact CD1-CG 3.79Å; Y220-R233 HydrophobicContact CD2-CG 4.19Å; Y220-R233 HydrophobicContact CE1-CB 3.65Å; Y220-R233 HydrophobicContact CE1-CG 3.7Å; Y220-R233 HydrophobicContact CE2-CG 4.07Å; Y220-R233 HydrophobicContact CG-CG 4.06Å; R233-F235 WeakPolarHBondContact O-CD1 3.44Å; R233-S243 CarbonylContact O-C 3.54Å; R233-S243 WeakPolarHBondContact O-CA 3.24Å; R233-S243 VanDerWaalsContact O-CB 3.31Å; R233-S243 WeakPolarHBondContact O-CB 3.42Å; R233-V244 HydrophobicContact CB-CG1 4.42Å; R233-V244 PolarHBondContact N-O 3.21Å; R233-V244 PolarHBondContact O-N 3Å; R233-S246 PolarHBondContact NE-OG 3.16Å
234	L	94	Very high	86.8	Confident	25 Å²	25	57.6 Å²	57.6	13%	0.131	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	150.8	176	-66.9	57	0	0	0	109.4	N218 I219 I221 Q232 P288	N218-L234 WeakPolarHBondContact CA-O 3.24Å; I219-L234 HydrophobicContact CB-CB 4.32Å; I219-L234 HydrophobicContact CB-CD2 4.38Å; I219-L234 HydrophobicContact CG2-CD2 4.45Å; I219-L234 WeakPolarHBondContact O-CA 3.28Å; I219-L234 WeakPolarHBondContact O-CB 3.4Å; I219-L234 PolarHBondContact O-N 3.21Å; I221-L234 HydrophobicContact CD1-CD1 3.85Å; I221-L234 HydrophobicContact CG1-CD1 3.97Å; Q232-L234 HydrophobicContact CB-CD1 4.33Å; Q232-L234 HydrophobicContact CG-CD1 3.84Å; L234-P288 HydrophobicContact CD2-CB 3.82Å; L234-P288 HydrophobicContact CG-CB 3.8Å
235	F	92.9	Very high	86.9	Confident	51 Å²	51	62.5 Å²	62.5	22%	0.224	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	165.7	176.6	49.7	-99.1	0	0	0	110.9	R233 K237 I238 R241 S242 S243 V244	R233-F235 WeakPolarHBondContact O-CD1 3.44Å; F235-K237 PolarHBondContact O-N 3.34Å; F235-I238 HydrophobicContact CD2-CD1 4.33Å; F235-I238 HydrophobicContact CD2-CG1 4.14Å; F235-I238 HydrophobicContact CE2-CB 4.3Å; F235-I238 HydrophobicContact CE2-CD1 4.44Å; F235-I238 HydrophobicContact CE2-CG1 4.16Å; F235-R241 HydrophobicContact CE2-CB 4.33Å; F235-R241 HydrophobicContact CZ-CB 3.99Å; F235-S242 PolarHBondContact N-O 3.21Å; F235-S242 VanDerWaalsContact O-O 3.1Å; F235-S243 VanDerWaalsContact CE1-CA 3.48Å; F235-V244 HydrophobicContact CE1-CB 4.19Å; F235-V244 HydrophobicContact CE1-CG1 4.06Å
236	R	89.1	Confident	87.1	Confident	182 Å²	182	60.1 Å²	60.1	69%	0.687	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	103.7	174.7	-172	179.1	-171	127.1	3.1	110.3	H217 I238	H217-R236 HydrophobicContact CB-CB 4.19Å; R236-I238 WeakPolarHBondContact O-CG1 3.23Å; R236-I238 PolarHBondContact O-N 2.96Å
237	K	88.6	Confident	87.5	Confident	72 Å²	72	59.8 Å²	59.8	31%	0.313	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-23.4	120.6	-175.8	174.2	174	165.4	173.6	0	115.7	F235 R241 V294 E302	F235-K237 PolarHBondContact O-N 3.34Å; K237-R241 CarbonylContact C-O 3.55Å; K237-R241 VanDerWaalsContact CA-O 3.3Å; K237-R241 WeakPolarHBondContact CA-O 3.22Å; K237-V294 HydrophobicContact CD-CG1 4.34Å; K237-V294 HydrophobicContact CD-CG2 3.84Å; K237-V294 HydrophobicContact CG-CG2 4.11Å; K237-E302 IonicContact NZ-OE2 2.69Å; K237-E302 PolarHBondContact NZ-OE2 3.31Å
238	I	86	Confident	88.3	Confident	124 Å²	124	60.1 Å²	60.1	64%	0.636	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	117.9	176.8	-51.9	-178.9	0	0	0	108.4	F235 R236 S240 R241	F235-I238 HydrophobicContact CD2-CD1 4.33Å; F235-I238 HydrophobicContact CD2-CG1 4.14Å; F235-I238 HydrophobicContact CE2-CB 4.3Å; F235-I238 HydrophobicContact CE2-CD1 4.44Å; F235-I238 HydrophobicContact CE2-CG1 4.16Å; R236-I238 WeakPolarHBondContact O-CG1 3.23Å; R236-I238 PolarHBondContact O-N 2.96Å; I238-S240 PolarHBondContact O-N 3.03Å; I238-S240 VanDerWaalsContact O-N 3.12Å; I238-R241 PolarHBondContact N-O 3.11Å; I238-R241 PolarHBondContact O-N 2.92Å
239	G	86.2	Confident	89	Confident	52 Å²	52	59.2 Å²	59.2	54%	0.536	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-116.2	179.4	0	0	0	0	0	112.9	R296	G239-R296 PolarHBondContact O-NH2 3.17Å
240	S	84.5	Confident	89.4	Confident	78 Å²	78	66.3 Å²	66.3	55%	0.545	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.2	179.2	53.5	0	0	0	0	114.7	I238 V294	I238-S240 PolarHBondContact O-N 3.03Å; I238-S240 VanDerWaalsContact O-N 3.12Å; S240-V294 WeakPolarHBondContact O-CB 3.5Å; S240-V294 PolarHBondContact O-N 2.79Å
241	R	86.9	Confident	89.7	Confident	133 Å²	133	66.5 Å²	66.5	50%	0.502	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.8	-179.4	-73.5	-170.8	172.8	179.2	-3	115.2	F235 K237 I238 G292	F235-R241 HydrophobicContact CE2-CB 4.33Å; F235-R241 HydrophobicContact CZ-CB 3.99Å; K237-R241 CarbonylContact C-O 3.55Å; K237-R241 VanDerWaalsContact CA-O 3.3Å; K237-R241 WeakPolarHBondContact CA-O 3.22Å; I238-R241 PolarHBondContact N-O 3.11Å; I238-R241 PolarHBondContact O-N 2.92Å; R241-G292 CarbonylContact C-O 3.6Å; R241-G292 WeakPolarHBondContact CA-O 3.41Å
242	S	89.5	Confident	89.9	Confident	17 Å²	17	68.5 Å²	68.5	12%	0.119	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-13.2	172.8	48.3	0	0	0	0	113.6	F235 G292	F235-S242 PolarHBondContact N-O 3.21Å; F235-S242 VanDerWaalsContact O-O 3.1Å; S242-G292 PolarHBondContact N-O 3.04Å; S242-G292 PolarHBondContact OG-O 2.68Å
243	S	91.5	Very high	90	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	176.3	171.8	69.4	0	0	0	0	111.3	Q232 R233 F235 P288 G292	Q232-S243 PolarHBondContact NE2-OG 3.44Å; R233-S243 CarbonylContact O-C 3.54Å; R233-S243 WeakPolarHBondContact O-CA 3.24Å; R233-S243 VanDerWaalsContact O-CB 3.31Å; R233-S243 WeakPolarHBondContact O-CB 3.42Å; F235-S243 VanDerWaalsContact CE1-CA 3.48Å; S243-P288 WeakPolarHBondContact CB-O 3.43Å; S243-P288 PolarHBondContact OG-O 2.79Å; S243-G292 WeakPolarHBondContact OG-CA 3.45Å; S243-G292 PolarHBondContact OG-N 3.23Å
244	V	88.4	Confident	89.8	Confident	57 Å²	57	75.6 Å²	75.6	35%	0.345	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	143.1	170.7	69.8	0	0	0	0	110.9	Q232 R233 F235	Q232-V244 PolarHBondContact OE1-O 3.28Å; R233-V244 HydrophobicContact CB-CG1 4.42Å; R233-V244 PolarHBondContact N-O 3.21Å; R233-V244 PolarHBondContact O-N 3Å; F235-V244 HydrophobicContact CE1-CB 4.19Å; F235-V244 HydrophobicContact CE1-CG1 4.06Å
245	Y	89.4	Confident	89.6	Confident	119 Å²	119	76.4 Å²	76.4	47%	0.467	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.2	173.1	178.4	-99.3	0	0	0	111.3	Y223 G229	Y223-Y245 HydrophobicContact CD2-CD2 4.48Å; Y223-Y245 HydrophobicContact CD2-CE2 4.16Å; Y223-Y245 HydrophobicContact CE2-CD2 4.26Å; Y223-Y245 HydrophobicContact CE2-CE2 4.39Å; G229-Y245 PolarHBondContact O-OH 2.96Å
246	S	87.3	Confident	89.7	Confident	20 Å²	20	74.2 Å²	74.2	14%	0.14	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.2	175.4	-170.2	0	0	0	0	109.6	G230 S231 R233 E248	G230-S246 CarbonylContact C-O 3.6Å; G230-S246 WeakPolarHBondContact CA-O 3.1Å; S231-S246 PolarHBondContact N-O 3.14Å; S231-S246 PolarHBondContact O-N 3.13Å; R233-S246 PolarHBondContact NE-OG 3.16Å; S246-E248 PolarHBondContact O-N 2.79Å
247	P	85.2	Confident	90.1	Very high	108 Å²	108	66.1 Å²	66.1	70%	0.701	36%	0.355	S	S	*	.	S	Bend	trans	-70.8	-11.1	174.1	31	-36.3	0	0	0	113.1	S249	P247-S249 PolarHBondContact O-N 2.88Å; P247-S249 PolarHBondContact O-OG 2.9Å
248	E	91.3	Very high	90.5	Very high	81 Å²	81	62.7 Å²	62.7	38%	0.379	34%	0.34	S	S	.	.			trans	-63.1	127.8	176.7	-179.5	55.4	-92.8	0	0	110.8	G230 S231 S246 R250	G230-E248 CarbonylContact C-O 3.51Å; G230-E248 WeakPolarHBondContact CA-O 3.26Å; S231-E248 VanDerWaalsContact CB-O 3.31Å; S231-E248 WeakPolarHBondContact CB-O 3.38Å; S231-E248 PolarHBondContact N-O 2.9Å; S231-E248 VanDerWaalsContact N-O 3.14Å; S231-E248 PolarHBondContact OG-O 3.08Å; S246-E248 PolarHBondContact O-N 2.79Å; E248-R250 WeakPolarHBondContact OE1-CB 3.46Å; E248-R250 PolarHBondContact OE1-N 2.8Å
249	S	90.4	Very high	91	Very high	42 Å²	42	56.8 Å²	56.8	29%	0.294	31%	0.31	S	S	.	.			trans	-115.1	-2.3	-172.8	-59.5	0	0	0	0	113.3	K205 G230 P247	K205-S249 PolarHBondContact NZ-O 3.31Å; G230-S249 WeakPolarHBondContact CA-OG 3.31Å; G230-S249 PolarHBondContact N-OG 3.49Å; P247-S249 PolarHBondContact O-N 2.88Å; P247-S249 PolarHBondContact O-OG 2.9Å
250	R	93	Very high	91.5	Very high	156 Å²	156	54.6 Å²	54.6	59%	0.589	29%	0.286	S	S	*	.	S	Bend	trans	-99	147.6	179.5	-64.5	-178.7	176.3	-90.1	4.3	113.4	E191 Y222 E248	E191-R250 VanDerWaalsContact OE1-CA 3.28Å; E191-R250 WeakPolarHBondContact OE1-CA 3.29Å; E191-R250 WeakPolarHBondContact OE1-CB 3.35Å; E191-R250 IonicContact OE2-CZ 3.45Å; E191-R250 IonicContact OE2-NH1 2.69Å; E191-R250 PolarHBondContact OE2-NH1 2.96Å; Y222-R250 VanDerWaalsContact CE1-C 3.48Å; Y222-R250 WeakPolarHBondContact CE1-O 3.37Å; Y222-R250 VanDerWaalsContact CZ-O 3.28Å; Y222-R250 PolarHBondContact OH-O 3.19Å; E248-R250 WeakPolarHBondContact OE1-CB 3.46Å; E248-R250 PolarHBondContact OE1-N 2.8Å
251	V	95.2	Very high	92	Very high	5 Å²	5	53 Å²	53	3%	0.03	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-78.1	157.3	-178.4	-57	0	0	0	0	113.3	L189 E191 V196 F207 E209 Y222 K253 Y259	L189-V251 HydrophobicContact CD1-CG2 4.33Å; L189-V251 HydrophobicContact CD2-CG2 3.73Å; E191-V251 WeakPolarHBondContact OE1-CG2 3.37Å; E191-V251 PolarHBondContact OE1-N 2.99Å; V196-V251 HydrophobicContact CG1-CG1 3.78Å; V196-V251 HydrophobicContact CG1-CG2 4.32Å; F207-V251 HydrophobicContact CE2-CG1 3.76Å; F207-V251 HydrophobicContact CZ-CG1 3.57Å; E209-V251 WeakPolarHBondContact OE1-CB 3.39Å; Y222-V251 HydrophobicContact CD2-CG1 4.25Å; Y222-V251 HydrophobicContact CE1-CG1 4.49Å; Y222-V251 HydrophobicContact CE2-CG1 4.05Å; Y222-V251 WeakPolarHBondContact OH-CA 3.41Å; V251-K253 VanDerWaalsContact O-CD 3.31Å; V251-K253 WeakPolarHBondContact O-CD 3.41Å; V251-K253 WeakPolarHBondContact O-CE 3.37Å; V251-K253 PolarHBondContact O-N 3.01Å; V251-K253 PolarHBondContact O-NZ 2.69Å; V251-Y259 HydrophobicContact CB-CE1 4.07Å; V251-Y259 HydrophobicContact CG1-CE1 3.95Å
252	R	95	Very high	92.3	Very high	43 Å²	43	49.7 Å²	49.7	16%	0.162	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-68.7	130.4	-176	-81	174.1	-74.1	-174.5	-6.6	111.6	R179 E209 N218 Y220 F257	R179-R252 PolarHBondContact NH1-O 2.77Å; R179-R252 PolarHBondContact NH2-O 3.1Å; E209-R252 PolarHBondContact O-NH2 2.72Å; E209-R252 PolarHBondContact OE1-N 3.47Å; E209-R252 IonicContact OE2-CZ 3.63Å; E209-R252 IonicContact OE2-NE 2.68Å; E209-R252 PolarHBondContact OE2-NE 3.05Å; E209-R252 IonicContact OE2-NH2 2.91Å; E209-R252 PolarHBondContact OE2-NH2 2.97Å; N218-R252 PolarHBondContact O-NH1 3.25Å; N218-R252 PolarHBondContact O-NH2 2.79Å; Y220-R252 HydrophobicContact CD2-CG 4.37Å; Y220-R252 HydrophobicContact CE2-CG 4.15Å; R252-F257 HydrophobicContact CB-CD2 4.37Å; R252-F257 HydrophobicContact CB-CE1 4.38Å; R252-F257 HydrophobicContact CB-CE2 3.52Å; R252-F257 HydrophobicContact CB-CZ 3.54Å; R252-F257 HydrophobicContact CG-CZ 4.27Å; R252-F257 VanDerWaalsContact CZ-CE1 3.46Å
253	K	90.9	Very high	92.4	Very high	103 Å²	103	49.9 Å²	49.9	45%	0.448	26%	0.26	S	S	.	.			trans	-92.9	-9.7	-174.5	-50.3	-53.1	-179.2	-168.8	0	114.4	E191 V251	E191-K253 IonicContact OE1-NZ 3.43Å; E191-K253 PolarHBondContact OE1-NZ 3.34Å; E191-K253 IonicContact OE2-NZ 3.38Å; E191-K253 PolarHBondContact OE2-NZ 3.28Å; V251-K253 VanDerWaalsContact O-CD 3.31Å; V251-K253 WeakPolarHBondContact O-CD 3.41Å; V251-K253 WeakPolarHBondContact O-CE 3.37Å; V251-K253 PolarHBondContact O-N 3.01Å; V251-K253 PolarHBondContact O-NZ 2.69Å
254	T	90	Very high	91.9	Very high	120 Å²	120	53.2 Å²	53.2	74%	0.736	28%	0.281	S	S	*	.	S	Bend	trans	-127.3	139.3	-177.7	48.8	0	0	0	0	111.3	F257	T254-F257 WeakPolarHBondContact O-CE2 3.29Å; T254-F257 VanDerWaalsContact O-CZ 3.28Å; T254-F257 WeakPolarHBondContact O-CZ 3.46Å
255	G	91.3	Very high	91.6	Very high	41 Å²	41	52 Å²	52	42%	0.423	27%	0.274	S	S	.	.	S	Bend	trans	83	167.1	-172.1	0	0	0	0	0	113.5	R179 F257	R179-G255 WeakPolarHBondContact CD-O 3.43Å; R179-G255 PolarHBondContact NH1-O 3.32Å; G255-F257 WeakPolarHBondContact O-CD2 3.48Å; G255-F257 WeakPolarHBondContact O-CE2 3.32Å
256	S	94.6	Very high	90.7	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.042	28%	0.28	C	S	.	.			trans	-98.4	141	-177.2	-61.3	0	0	0	0	112.2	L177 R179 D180 V212	L177-S256 WeakPolarHBondContact O-CA 3.49Å; L177-S256 WeakPolarHBondContact O-CB 3.4Å; R179-S256 PolarHBondContact N-OG 2.94Å; D180-S256 PolarHBondContact N-OG 2.83Å; D180-S256 VanDerWaalsContact OD2-CB 3.31Å; D180-S256 WeakPolarHBondContact OD2-CB 3.18Å; D180-S256 PolarHBondContact OD2-OG 2.93Å; V212-S256 PolarHBondContact N-O 3.23Å; V212-S256 VanDerWaalsContact N-O 3.13Å
257	F	96.7	Very high	90.2	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.3	-170.8	-59.8	-74.6	0	0	0	113.1	L177 E209 K210 P211 R252 T254 G255 Y259	L177-F257 PolarHBondContact N-O 2.9Å; L177-F257 PolarHBondContact O-N 2.83Å; E209-F257 HydrophobicContact CG-CB 3.95Å; E209-F257 HydrophobicContact CG-CD1 3.92Å; E209-F257 HydrophobicContact CG-CG 3.9Å; K210-F257 CarbonylContact O-C 3.59Å; K210-F257 VanDerWaalsContact O-CA 3.28Å; K210-F257 WeakPolarHBondContact O-CA 3.3Å; P211-F257 HydrophobicContact CB-CD1 4.42Å; P211-F257 HydrophobicContact CB-CE1 4.33Å; P211-F257 HydrophobicContact CG-CD1 4.49Å; P211-F257 HydrophobicContact CG-CE1 4.26Å; R252-F257 HydrophobicContact CB-CD2 4.37Å; R252-F257 HydrophobicContact CB-CE1 4.38Å; R252-F257 HydrophobicContact CB-CE2 3.52Å; R252-F257 HydrophobicContact CB-CZ 3.54Å; R252-F257 HydrophobicContact CG-CZ 4.27Å; R252-F257 VanDerWaalsContact CZ-CE1 3.46Å; T254-F257 WeakPolarHBondContact O-CE2 3.29Å; T254-F257 VanDerWaalsContact O-CZ 3.28Å; T254-F257 WeakPolarHBondContact O-CZ 3.46Å; G255-F257 WeakPolarHBondContact O-CD2 3.48Å; G255-F257 WeakPolarHBondContact O-CE2 3.32Å; F257-Y259 HydrophobicContact CB-CD2 4.46Å; F257-Y259 HydrophobicContact CB-CE2 3.89Å
258	I	97.1	Very high	90.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.3	160.9	-62.3	-176.1	0	0	0	107.8	R157 R158 Y161 Y174 A175 V176 E209 K210 V212	R157-I258 HydrophobicContact CB-CD1 3.55Å; R158-I258 HydrophobicContact CG-CD1 4.44Å; Y161-I258 HydrophobicContact CE2-CG2 4.34Å; Y174-I258 HydrophobicContact CD2-CG2 3.84Å; Y174-I258 HydrophobicContact CG-CG2 4.28Å; A175-I258 WeakPolarHBondContact O-CA 3.43Å; V176-I258 HydrophobicContact CG2-CG1 4.32Å; E209-I258 CarbonylContact C-O 3.2Å; E209-I258 WeakPolarHBondContact CA-O 3.27Å; K210-I258 HydrophobicContact CB-CB 4.4Å; K210-I258 PolarHBondContact N-O 2.66Å; K210-I258 PolarHBondContact O-N 2.61Å; V212-I258 HydrophobicContact CG1-CG1 4.4Å
259	Y	97.5	Very high	89.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.4	168	-65.2	-88.1	0	0	0	108.5	Y174 A175 L177 V196 V198 F207 V208 E209 V251 F257	Y174-Y259 CarbonylContact C-O 3.59Å; Y174-Y259 WeakPolarHBondContact CA-O 3.01Å; Y174-Y259 WeakPolarHBondContact CB-O 3.42Å; A175-Y259 PolarHBondContact N-O 2.89Å; A175-Y259 PolarHBondContact O-N 3.05Å; L177-Y259 HydrophobicContact CB-CD2 4.17Å; L177-Y259 HydrophobicContact CB-CE2 3.78Å; L177-Y259 HydrophobicContact CD2-CE2 3.77Å; L177-Y259 HydrophobicContact CG-CE2 4.45Å; V196-Y259 HydrophobicContact CG2-CD1 4.25Å; V198-Y259 HydrophobicContact CG1-CD2 4.29Å; V198-Y259 HydrophobicContact CG2-CD2 3.57Å; V198-Y259 HydrophobicContact CG2-CE2 4.12Å; V198-Y259 HydrophobicContact CG2-CG 3.91Å; F207-Y259 HydrophobicContact CD2-CD1 4.1Å; F207-Y259 AromaticContact CE2-CD1 3.88Å; F207-Y259 HydrophobicContact CE2-CD1 3.88Å; F207-Y259 HydrophobicContact CE2-CE1 4.16Å; V208-Y259 CarbonylContact O-C 3.47Å; V208-Y259 WeakPolarHBondContact O-CA 3.21Å; E209-Y259 HydrophobicContact CB-CD1 4.05Å; E209-Y259 HydrophobicContact CB-CE1 3.84Å; E209-Y259 HydrophobicContact CG-CD1 4.07Å; E209-Y259 HydrophobicContact CG-CE1 3.47Å; E209-Y259 VanDerWaalsContact CG-CE1 3.47Å; E209-Y259 WeakPolarHBondContact OE1-CE1 3.32Å; E209-Y259 VanDerWaalsContact OE1-CZ 3.31Å; E209-Y259 PolarHBondContact OE1-OH 3.02Å; V251-Y259 HydrophobicContact CB-CE1 4.07Å; V251-Y259 HydrophobicContact CG1-CE1 3.95Å; F257-Y259 HydrophobicContact CB-CD2 4.46Å; F257-Y259 HydrophobicContact CB-CE2 3.89Å
260	E	96.6	Very high	89.9	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.7	-180	67.4	178.7	-150.1	0	0	112.5	Y161 P172 R173 F207 V208 K210	Y161-E260 PolarHBondContact OH-OE2 3.41Å; P172-E260 HydrophobicContact CB-CB 4.11Å; P172-E260 HydrophobicContact CB-CG 4.41Å; R173-E260 VanDerWaalsContact O-CA 3.25Å; R173-E260 WeakPolarHBondContact O-CA 3.33Å; R173-E260 WeakPolarHBondContact O-CB 3.3Å; F207-E260 WeakPolarHBondContact CA-O 3.42Å; F207-E260 WeakPolarHBondContact CB-O 3.16Å; V208-E260 HydrophobicContact CB-CG 3.72Å; V208-E260 HydrophobicContact CG1-CG 4.45Å; V208-E260 HydrophobicContact CG2-CG 4.4Å; V208-E260 PolarHBondContact N-O 3.3Å; V208-E260 PolarHBondContact O-N 3.21Å; K210-E260 WeakPolarHBondContact CE-OE1 3.46Å; K210-E260 WeakPolarHBondContact CE-OE2 3.44Å; K210-E260 IonicContact NZ-OE1 3.58Å; K210-E260 PolarHBondContact NZ-OE1 2.8Å; K210-E260 IonicContact NZ-OE2 2.72Å; K210-E260 PolarHBondContact NZ-OE2 2.9Å
261	D	95.2	Very high	89.9	Confident	44 Å²	44	36.8 Å²	36.8	24%	0.235	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.7	174.3	-76.8	-25.2	0	0	0	111.6	R173 F203 M263	R173-D261 WeakPolarHBondContact CB-OD2 3.18Å; R173-D261 IonicContact CZ-OD1 2.78Å; R173-D261 IonicContact CZ-OD2 2.67Å; R173-D261 IonicContact NE-OD1 2.85Å; R173-D261 IonicContact NE-OD2 3.16Å; R173-D261 PolarHBondContact NE-OD2 2.66Å; R173-D261 IonicContact NH2-OD1 3.2Å; R173-D261 PolarHBondContact NH2-OD1 2.89Å; R173-D261 IonicContact NH2-OD2 2.59Å; R173-D261 PolarHBondContact NH2-OD2 2.97Å; R173-D261 PolarHBondContact O-N 3.17Å; F203-D261 WeakPolarHBondContact CD1-OD1 3.35Å; D261-M263 HydrophobicContact CB-SD 4.46Å; D261-M263 PolarHBondContact O-N 3.26Å
262	F	93.5	Very high	89.9	Confident	64 Å²	64	36.6 Å²	36.6	28%	0.281	21%	0.205	S	C	.	.			trans	-73.5	113.5	173.6	176.5	-95	0	0	0	110.4	P206 V208 I221 P264 A289	P206-F262 HydrophobicContact CB-CB 3.82Å; P206-F262 HydrophobicContact CB-CD1 4.09Å; P206-F262 HydrophobicContact CB-CG 3.98Å; P206-F262 HydrophobicContact CG-CB 3.98Å; P206-F262 HydrophobicContact CG-CD1 3.72Å; P206-F262 HydrophobicContact CG-CG 4.08Å; P206-F262 WeakPolarHBondContact O-CB 3.49Å; P206-F262 PolarHBondContact O-N 3.01Å; V208-F262 HydrophobicContact CG2-CB 4.22Å; V208-F262 HydrophobicContact CG2-CD2 3.95Å; I221-F262 HydrophobicContact CD1-CD2 4.36Å; I221-F262 HydrophobicContact CD1-CE2 4.11Å; I221-F262 HydrophobicContact CG2-CD2 3.73Å; I221-F262 HydrophobicContact CG2-CE2 4.14Å; F262-P264 WeakPolarHBondContact O-CD 3.36Å; F262-A289 HydrophobicContact CE2-CB 4.1Å
263	M	90.6	Very high	89.9	Confident	22 Å²	22	35.1 Å²	35.1	11%	0.108	20%	0.199	C	C	.	.			trans	-80.4	118.1	179.6	-55.5	-51.6	-61.5	0	0	111	P172 D261 T265 L334 A336 Y341	P172-M263 HydrophobicContact CB-CG 4.16Å; P172-M263 HydrophobicContact CB-SD 4.19Å; P172-M263 HydrophobicContact CG-CG 3.92Å; D261-M263 HydrophobicContact CB-SD 4.46Å; D261-M263 PolarHBondContact O-N 3.26Å; M263-T265 PolarHBondContact O-N 3.3Å; M263-L334 HydrophobicContact CB-CB 4.39Å; M263-L334 HydrophobicContact CB-CD1 3.99Å; M263-L334 HydrophobicContact CG-CD1 4.1Å; M263-A336 HydrophobicContact CB-CB 4Å; M263-A336 HydrophobicContact CE-CB 3.98Å; M263-Y341 HydrophobicContact CE-CD1 4.43Å; M263-Y341 HydrophobicContact CE-CD2 3.72Å; M263-Y341 HydrophobicContact CE-CE1 4.16Å; M263-Y341 HydrophobicContact CE-CE2 3.4Å; M263-Y341 HydrophobicContact CE-CG 4.23Å
264	P	80.3	Confident	90	Very high	70 Å²	70	30.2 Å²	30.2	46%	0.455	18%	0.178	S	C	.	.			trans	-74.9	96.5	179.7	30.1	-34.1	0	0	0	110.7	F262 A336	F262-P264 WeakPolarHBondContact O-CD 3.36Å; P264-A336 WeakPolarHBondContact O-CB 3.18Å
265	T	83.8	Confident	90.1	Very high	31 Å²	31	24.6 Å²	24.6	19%	0.19	14%	0.143	C	C	.	.			trans	-91.6	165.2	169.9	78.9	0	0	0	0	111.2	M263 G267 T268 L334 R335	M263-T265 PolarHBondContact O-N 3.3Å; T265-G267 PolarHBondContact O-N 3.35Å; T265-G267 PolarHBondContact OG1-N 2.98Å; T265-T268 PolarHBondContact OG1-O 2.89Å; T265-L334 HydrophobicContact CG2-CB 3.9Å; T265-L334 HydrophobicContact CG2-CD2 4.09Å; T265-L334 HydrophobicContact CG2-CG 4.49Å; T265-R335 WeakPolarHBondContact CA-O 3.4Å; T265-R335 WeakPolarHBondContact CB-O 3.36Å; T265-R335 WeakPolarHBondContact CG2-O 3.32Å
266	D	68.9	Low	89.8	Confident	111 Å²	111	22.7 Å²	22.7	59%	0.594	12%	0.124	S	C	*	.	S	Bend	trans	-71.6	33.2	172.5	-54.6	-92.7	0	0	0	113.6	Q623	D266-Q623 PolarHBondContact OD1-NE2 2.94Å; D266-Q623 PolarHBondContact OD2-NE2 2.9Å
267	G	76.6	Confident	89.2	Confident	11 Å²	11	23.8 Å²	23.8	11%	0.113	13%	0.131	C	C	.	.	S	Bend	trans	80	15.1	176.9	0	0	0	0	0	115.3	T265 S287 L290	T265-G267 PolarHBondContact O-N 3.35Å; T265-G267 PolarHBondContact OG1-N 2.98Å; G267-S287 PolarHBondContact O-N 3.31Å; G267-L290 WeakPolarHBondContact O-CD1 3.39Å
268	T	83.5	Confident	88.3	Confident	23 Å²	23	25.5 Å²	25.5	14%	0.141	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.5	177.1	60	0	0	0	0	112.7	T265 R285 Y305	T265-T268 PolarHBondContact OG1-O 2.89Å; T268-R285 CarbonylContact C-O 3.57Å; T268-R285 WeakPolarHBondContact CA-O 3.48Å; T268-R285 VanDerWaalsContact CB-O 3.24Å; T268-R285 WeakPolarHBondContact CB-O 3.46Å; T268-Y305 HydrophobicContact CG2-CD2 4Å; T268-Y305 HydrophobicContact CG2-CE2 3.84Å
269	D	86.3	Confident	87.5	Confident	21 Å²	21	25.7 Å²	25.7	11%	0.112	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.1	172.6	-40.3	-37.7	0	0	0	108	A284 R285 S287 P288 L334	D269-A284 CarbonylContact O-C 3.45Å; D269-A284 WeakPolarHBondContact O-CA 3.38Å; D269-R285 PolarHBondContact N-O 3.38Å; D269-R285 PolarHBondContact O-N 2.91Å; D269-S287 WeakPolarHBondContact OD1-CB 3.29Å; D269-S287 PolarHBondContact OD1-OG 3.16Å; D269-S287 WeakPolarHBondContact OD2-CA 3.43Å; D269-P288 WeakPolarHBondContact OD2-CD 3.33Å; D269-L334 HydrophobicContact CB-CD2 4.41Å
270	V	90.5	Very high	87	Confident	2 Å²	2	26 Å²	26	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.4	177	179.5	0	0	0	0	109.3	V272 A282 A284 V307 L309 D332 L333 R335	V270-V272 HydrophobicContact CG1-CG2 4.01Å; V270-A282 HydrophobicContact CG1-CB 4.24Å; V270-A284 HydrophobicContact CG2-CB 4.36Å; V270-V307 HydrophobicContact CG1-CB 4.23Å; V270-V307 HydrophobicContact CG1-CG1 3.87Å; V270-V307 HydrophobicContact CG1-CG2 4.23Å; V270-V307 HydrophobicContact CG2-CG1 4.39Å; V270-V307 HydrophobicContact CG2-CG2 4.25Å; V270-L309 HydrophobicContact CG1-CD2 4.3Å; V270-D332 WeakPolarHBondContact O-CA 3.33Å; V270-L333 HydrophobicContact CB-CB 4.04Å; V270-L333 WeakPolarHBondContact CB-O 3.11Å; V270-L333 HydrophobicContact CG1-CB 4.41Å; V270-L333 PolarHBondContact N-O 3.06Å; V270-L333 PolarHBondContact O-N 2.99Å; V270-R335 HydrophobicContact CG2-CG 4.44Å
271	K	93.8	Very high	86.5	Confident	38 Å²	38	27.5 Å²	27.5	17%	0.165	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.1	175.9	-56.1	-165.9	162.6	-77.1	0	110	Y273 A282 E283 D332	K271-Y273 HydrophobicContact CB-CE2 3.82Å; K271-A282 VanDerWaalsContact O-CA 3.32Å; K271-A282 WeakPolarHBondContact O-CA 3.23Å; K271-E283 HydrophobicContact CB-CG 4.44Å; K271-E283 WeakPolarHBondContact CB-O 3.48Å; K271-E283 PolarHBondContact N-O 3.37Å; K271-E283 PolarHBondContact O-N 2.68Å; K271-D332 WeakPolarHBondContact CG-OD1 3.4Å; K271-D332 IonicContact NZ-OD1 3.6Å; K271-D332 PolarHBondContact NZ-OD1 2.87Å; K271-D332 IonicContact NZ-OD2 2.67Å; K271-D332 PolarHBondContact NZ-OD2 3.29Å
272	V	94.9	Very high	86.1	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.8	-174.6	-173.7	0	0	0	0	110.3	V270 A280 H281 A282 L309 G330 F331 L333	V270-V272 HydrophobicContact CG1-CG2 4.01Å; V272-A280 HydrophobicContact CG1-CB 3.83Å; V272-H281 CarbonylContact C-O 3.49Å; V272-H281 WeakPolarHBondContact CA-O 3.14Å; V272-A282 HydrophobicContact CG2-CB 4.18Å; V272-L309 HydrophobicContact CG1-CD1 3.88Å; V272-L309 HydrophobicContact CG2-CD1 4.41Å; V272-L309 HydrophobicContact CG2-CD2 3.95Å; V272-G330 CarbonylContact O-C 3.42Å; V272-G330 VanDerWaalsContact O-CA 3.26Å; V272-G330 WeakPolarHBondContact O-CA 3.49Å; V272-F331 HydrophobicContact CB-CD1 3.96Å; V272-F331 HydrophobicContact CB-CD2 4.38Å; V272-F331 HydrophobicContact CB-CE1 3.56Å; V272-F331 HydrophobicContact CB-CE2 4.03Å; V272-F331 HydrophobicContact CB-CG 4.35Å; V272-F331 HydrophobicContact CB-CZ 3.6Å; V272-F331 HydrophobicContact CG1-CD1 4.21Å; V272-F331 HydrophobicContact CG1-CE1 3.42Å; V272-F331 VanDerWaalsContact CG1-CE1 3.42Å; V272-F331 HydrophobicContact CG1-CE2 4.47Å; V272-F331 HydrophobicContact CG1-CZ 3.58Å; V272-F331 HydrophobicContact CG2-CE1 4.43Å; V272-F331 HydrophobicContact CG2-CE2 4.09Å; V272-F331 HydrophobicContact CG2-CZ 3.96Å; V272-F331 PolarHBondContact N-O 3.05Å; V272-F331 PolarHBondContact O-N 3.02Å; V272-L333 HydrophobicContact CG2-CB 4.41Å; V272-L333 HydrophobicContact CG2-CD1 4.1Å
273	Y	95.1	Very high	85.8	Confident	12 Å²	12	23 Å²	23	5%	0.047	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	104.2	-173.1	-63.2	-98.2	0	0	0	109.8	K271 A280 H281 E283 R285 C329 S349 V351	K271-Y273 HydrophobicContact CB-CE2 3.82Å; Y273-A280 WeakPolarHBondContact O-CA 3.36Å; Y273-H281 PolarHBondContact N-O 2.7Å; Y273-H281 PolarHBondContact O-N 2.69Å; Y273-E283 HydrophobicContact CD2-CG 4.25Å; Y273-E283 HydrophobicContact CE2-CG 3.64Å; Y273-R285 PolarHBondContact OH-NH2 3.32Å; Y273-R285 VanDerWaalsContact OH-NH2 3.12Å; Y273-C329 CarbonylContact C-O 3.53Å; Y273-C329 WeakPolarHBondContact CA-O 3.45Å; Y273-S349 WeakPolarHBondContact CE1-OG 3.23Å; Y273-V351 HydrophobicContact CD1-CG2 3.87Å; Y273-V351 HydrophobicContact CD2-CG2 3.66Å; Y273-V351 HydrophobicContact CE1-CG2 4.42Å; Y273-V351 HydrophobicContact CE2-CG2 4.26Å; Y273-V351 HydrophobicContact CG-CG2 3.45Å; Y273-V351 VanDerWaalsContact CG-CG2 3.45Å
274	T	94.2	Very high	85.5	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	154.3	179.3	68.8	0	0	0	0	112	Y279 A280 C321 T327 C329 F331	T274-Y279 VanDerWaalsContact CA-O 3.3Å; T274-Y279 WeakPolarHBondContact CA-O 3.43Å; T274-A280 HydrophobicContact CG2-CB 4.33Å; T274-C321 HydrophobicContact CG2-CB 4.25Å; T274-T327 PolarHBondContact OG1-O 2.7Å; T274-C329 PolarHBondContact N-O 2.98Å; T274-C329 VanDerWaalsContact OG1-CB 3.23Å; T274-C329 WeakPolarHBondContact OG1-CB 3.36Å; T274-C329 PolarHBondContact OG1-N 3.12Å; T274-C329 PolarHBondContact OG1-O 3.44Å; T274-F331 HydrophobicContact CG2-CE1 4.17Å
275	V	90.7	Very high	85.7	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	83.4	166.2	-170.8	0	0	0	0	107.6	Y279 T327 Y357 C361 I364 L365	V275-Y279 HydrophobicContact CB-CD1 3.81Å; V275-Y279 HydrophobicContact CB-CE1 4.41Å; V275-Y279 HydrophobicContact CB-CG 4.42Å; V275-Y279 HydrophobicContact CG2-CD1 3.83Å; V275-Y279 HydrophobicContact CG2-CE1 3.97Å; V275-Y279 PolarHBondContact N-O 3.16Å; V275-Y279 VanDerWaalsContact N-O 3.13Å; V275-T327 WeakPolarHBondContact CA-O 3.34Å; V275-Y357 HydrophobicContact CG2-CE2 3.89Å; V275-C361 HydrophobicContact CG1-CB 4.5Å; V275-C361 HydrophobicContact CG2-CB 4.06Å; V275-I364 HydrophobicContact CG1-CB 4.03Å; V275-I364 HydrophobicContact CG1-CG2 3.86Å; V275-I364 WeakPolarHBondContact O-CG2 3.41Å; V275-L365 HydrophobicContact CG1-CD2 3.85Å; V275-L365 HydrophobicContact CG1-CG 3.85Å
276	G	86.4	Confident	85.7	Confident	2 Å²	2	20.6 Å²	20.6	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	78.8	174	-162.6	0	0	0	0	0	112.3	D278 T327	G276-D278 VanDerWaalsContact C-N 3.3Å; G276-D278 PolarHBondContact O-N 2.83Å; G276-T327 PolarHBondContact N-O 3.21Å
277	P	81.1	Confident	86.5	Confident	28 Å²	28	15.9 Å²	15.9	18%	0.182	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-24.3	-171.1	27.5	-35.4	0	0	0	114	R318 L322 F585	P277-R318 HydrophobicContact CB-CG 4.14Å; P277-R318 WeakPolarHBondContact O-CA 3.49Å; P277-R318 WeakPolarHBondContact O-CB 3.31Å; P277-R318 WeakPolarHBondContact O-CG 3.36Å; P277-L322 HydrophobicContact CB-CD1 4.29Å; P277-L322 HydrophobicContact CB-CD2 3.91Å; P277-L322 HydrophobicContact CB-CG 3.96Å; P277-L322 HydrophobicContact CG-CD2 4.33Å; P277-F585 WeakPolarHBondContact O-CE2 3.28Å
278	D	77.1	Confident	86.8	Confident	48 Å²	48	16.8 Å²	16.8	26%	0.257	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	15.3	-168.8	-51.5	-44	0	0	0	112.8	G276 R318 T584	G276-D278 VanDerWaalsContact C-N 3.3Å; G276-D278 PolarHBondContact O-N 2.83Å; D278-R318 WeakPolarHBondContact OD1-CD 3.39Å; D278-R318 IonicContact OD1-CZ 2.77Å; D278-R318 IonicContact OD1-NE 3.57Å; D278-R318 PolarHBondContact OD1-NE 3.42Å; D278-T584 CarbonylContact O-C 3.6Å; D278-T584 VanDerWaalsContact O-CA 3.26Å; D278-T584 WeakPolarHBondContact O-CA 3.46Å
279	Y	81.9	Confident	86.6	Confident	4 Å²	4	16.1 Å²	16.1	2%	0.016	9%	0.086	C	C	.	.			trans	-133.4	132.7	169.5	177.4	-79	0	0	0	110.8	T274 V275 H281 Y357 D360 I364 S583 T584	T274-Y279 VanDerWaalsContact CA-O 3.3Å; T274-Y279 WeakPolarHBondContact CA-O 3.43Å; V275-Y279 HydrophobicContact CB-CD1 3.81Å; V275-Y279 HydrophobicContact CB-CE1 4.41Å; V275-Y279 HydrophobicContact CB-CG 4.42Å; V275-Y279 HydrophobicContact CG2-CD1 3.83Å; V275-Y279 HydrophobicContact CG2-CE1 3.97Å; V275-Y279 PolarHBondContact N-O 3.16Å; V275-Y279 VanDerWaalsContact N-O 3.13Å; Y279-H281 HydrophobicContact CE1-CB 4.24Å; Y279-Y357 HydrophobicContact CE1-CD2 4.13Å; Y279-Y357 HydrophobicContact CE1-CE2 4.08Å; Y279-D360 HydrophobicContact CE2-CB 3.71Å; Y279-D360 VanDerWaalsContact CE2-OD2 3.26Å; Y279-D360 WeakPolarHBondContact CE2-OD2 3.43Å; Y279-D360 WeakPolarHBondContact OH-CB 3.46Å; Y279-D360 PolarHBondContact OH-OD2 3.18Å; Y279-I364 HydrophobicContact CD1-CD1 4.32Å; Y279-I364 HydrophobicContact CD2-CD1 3.35Å; Y279-I364 HydrophobicContact CE2-CD1 3.87Å; Y279-I364 HydrophobicContact CG-CD1 3.61Å; Y279-S583 WeakPolarHBondContact CA-O 3.27Å; Y279-T584 HydrophobicContact CD2-CG2 4.09Å
280	A	85.9	Confident	86.3	Confident	7 Å²	7	19.6 Å²	19.6	6%	0.058	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	136.4	163.9	0	0	0	0	0	113	V272 Y273 T274 L309 S583 F585	V272-A280 HydrophobicContact CG1-CB 3.83Å; Y273-A280 WeakPolarHBondContact O-CA 3.36Å; T274-A280 HydrophobicContact CG2-CB 4.33Å; A280-L309 HydrophobicContact CB-CD1 3.99Å; A280-S583 PolarHBondContact N-O 3.29Å; A280-F585 HydrophobicContact CB-CE1 3.79Å; A280-F585 HydrophobicContact CB-CZ 3.67Å
281	H	86.1	Confident	85.6	Confident	37 Å²	37	23.4 Å²	23.4	17%	0.171	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.4	165.4	-179.8	96.7	0	0	0	109.7	V272 Y273 Y279 V351 Y357	V272-H281 CarbonylContact C-O 3.49Å; V272-H281 WeakPolarHBondContact CA-O 3.14Å; Y273-H281 PolarHBondContact N-O 2.7Å; Y273-H281 PolarHBondContact O-N 2.69Å; Y279-H281 HydrophobicContact CE1-CB 4.24Å; H281-V351 HydrophobicContact CB-CG2 4.06Å; H281-V351 VanDerWaalsContact CD2-CG2 3.41Å; H281-V351 WeakPolarHBondContact CD2-CG2 3.36Å; H281-Y357 HydrophobicContact CB-CD2 3.81Å; H281-Y357 HydrophobicContact CB-CE2 4.12Å
282	A	88.1	Confident	84.9	Confident	6 Å²	6	21.6 Å²	21.6	5%	0.05	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.9	177.8	0	0	0	0	0	113.7	V270 K271 V272 V307 L309	V270-A282 HydrophobicContact CG1-CB 4.24Å; K271-A282 VanDerWaalsContact O-CA 3.32Å; K271-A282 WeakPolarHBondContact O-CA 3.23Å; V272-A282 HydrophobicContact CG2-CB 4.18Å; A282-V307 HydrophobicContact CB-CB 3.93Å; A282-V307 HydrophobicContact CB-CG1 4.17Å; A282-V307 PolarHBondContact O-N 3.48Å; A282-L309 HydrophobicContact CB-CD1 4.24Å; A282-L309 HydrophobicContact CB-CD2 3.48Å; A282-L309 VanDerWaalsContact CB-CD2 3.48Å; A282-L309 HydrophobicContact CB-CG 3.71Å
283	E	85.9	Confident	84.3	Confident	8 Å²	8	28 Å²	28	4%	0.037	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.1	178.6	42.8	156.8	-109.4	0	0	110.2	K271 Y273 R285 R304 Y305	K271-E283 HydrophobicContact CB-CG 4.44Å; K271-E283 WeakPolarHBondContact CB-O 3.48Å; K271-E283 PolarHBondContact N-O 3.37Å; K271-E283 PolarHBondContact O-N 2.68Å; Y273-E283 HydrophobicContact CD2-CG 4.25Å; Y273-E283 HydrophobicContact CE2-CG 3.64Å; E283-R285 IonicContact OE1-CZ 2.76Å; E283-R285 IonicContact OE1-NE 3.54Å; E283-R285 PolarHBondContact OE1-NE 3.11Å; E283-R285 IonicContact OE1-NH2 2.75Å; E283-R285 PolarHBondContact OE1-NH2 3.06Å; E283-R304 HydrophobicContact CB-CB 4.47Å; E283-R304 VanDerWaalsContact OE1-CD 3.22Å; E283-R304 WeakPolarHBondContact OE1-CD 3.34Å; E283-R304 IonicContact OE1-NE 3.77Å; E283-R304 IonicContact OE1-NH1 3.73Å; E283-R304 WeakPolarHBondContact OE2-CD 3.36Å; E283-R304 IonicContact OE2-CZ 2.66Å; E283-R304 IonicContact OE2-NE 2.85Å; E283-R304 IonicContact OE2-NH1 2.72Å; E283-R304 PolarHBondContact OE2-NH1 2.86Å; E283-Y305 CarbonylContact C-O 3.56Å; E283-Y305 WeakPolarHBondContact CA-O 3.19Å
284	A	84.4	Confident	83.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	150.7	167.8	0	0	0	0	0	111.5	D269 V270 Y305 V307 I620	D269-A284 CarbonylContact O-C 3.45Å; D269-A284 WeakPolarHBondContact O-CA 3.38Å; V270-A284 HydrophobicContact CG2-CB 4.36Å; A284-Y305 HydrophobicContact CB-CD2 4.44Å; A284-Y305 PolarHBondContact N-O 3.21Å; A284-Y305 PolarHBondContact O-N 3.38Å; A284-V307 HydrophobicContact CB-CG2 3.44Å; A284-V307 VanDerWaalsContact CB-CG2 3.44Å; A284-I620 HydrophobicContact CB-CD1 3.89Å
285	R	84.8	Confident	83	Confident	33 Å²	33	31.6 Å²	31.6	13%	0.125	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.4	169.2	-50.8	-166.6	-159.6	152.3	10.1	109.6	T268 D269 Y273 E283 S287 E302 R304	T268-R285 CarbonylContact C-O 3.57Å; T268-R285 WeakPolarHBondContact CA-O 3.48Å; T268-R285 VanDerWaalsContact CB-O 3.24Å; T268-R285 WeakPolarHBondContact CB-O 3.46Å; D269-R285 PolarHBondContact N-O 3.38Å; D269-R285 PolarHBondContact O-N 2.91Å; Y273-R285 PolarHBondContact OH-NH2 3.32Å; Y273-R285 VanDerWaalsContact OH-NH2 3.12Å; E283-R285 IonicContact OE1-CZ 2.76Å; E283-R285 IonicContact OE1-NE 3.54Å; E283-R285 PolarHBondContact OE1-NE 3.11Å; E283-R285 IonicContact OE1-NH2 2.75Å; E283-R285 PolarHBondContact OE1-NH2 3.06Å; R285-S287 PolarHBondContact O-N 2.79Å; R285-E302 WeakPolarHBondContact CD-OE1 3.48Å; R285-E302 IonicContact CZ-OE1 3.51Å; R285-E302 IonicContact NE-OE1 3.32Å; R285-E302 IonicContact NH1-OE1 2.71Å; R285-E302 PolarHBondContact NH1-OE1 2.84Å; R285-E302 IonicContact NH1-OE2 3.66Å; R285-R304 HydrophobicContact CG-CB 4.33Å; R285-R304 HydrophobicContact CG-CG 4.13Å
286	K	84	Confident	82.5	Confident	38 Å²	38	36.8 Å²	36.8	17%	0.165	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	128.8	173.3	-176.7	-177.1	-174.7	177.7	0	110.5	L290 D291 K293 E295	K286-L290 HydrophobicContact CG-CD1 4.02Å; K286-D291 WeakPolarHBondContact CE-OD1 3.4Å; K286-D291 IonicContact NZ-OD1 3.92Å; K286-D291 PolarHBondContact NZ-OD1 2.95Å; K286-D291 IonicContact NZ-OD2 3.7Å; K286-D291 PolarHBondContact NZ-OD2 2.92Å; K286-K293 PolarHBondContact NZ-O 3.14Å; K286-E295 HydrophobicContact CD-CG 4.04Å; K286-E295 VanDerWaalsContact CD-OE1 3.31Å; K286-E295 WeakPolarHBondContact CD-OE1 3.36Å; K286-E295 WeakPolarHBondContact CE-OE1 3.5Å; K286-E295 IonicContact NZ-OE1 3.78Å; K286-E295 PolarHBondContact NZ-OE1 2.96Å
287	S	85.4	Confident	82	Confident	13 Å²	13	39.5 Å²	39.5	9%	0.091	20%	0.196	C	C	.	.			trans	-66.8	128.7	-177.5	-169.3	0	0	0	0	111.3	G267 D269 R285 A289 L290	G267-S287 PolarHBondContact O-N 3.31Å; D269-S287 WeakPolarHBondContact OD1-CB 3.29Å; D269-S287 PolarHBondContact OD1-OG 3.16Å; D269-S287 WeakPolarHBondContact OD2-CA 3.43Å; R285-S287 PolarHBondContact O-N 2.79Å; S287-A289 PolarHBondContact O-N 3.24Å; S287-A289 WeakPolarHBondContact OG-CB 3.5Å; S287-A289 PolarHBondContact OG-N 3.3Å; S287-L290 PolarHBondContact O-N 2.84Å; S287-L290 VanDerWaalsContact O-N 3.17Å
288	P	83.4	Confident	81.7	Confident	29 Å²	29	44.5 Å²	44.5	19%	0.188	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-14.9	171	-25.4	36.4	0	0	0	113.8	L234 S243 D269 L290	L234-P288 HydrophobicContact CD2-CB 3.82Å; L234-P288 HydrophobicContact CG-CB 3.8Å; S243-P288 WeakPolarHBondContact CB-O 3.43Å; S243-P288 PolarHBondContact OG-O 2.79Å; D269-P288 WeakPolarHBondContact OD2-CD 3.33Å; P288-L290 PolarHBondContact O-N 3.28Å
289	A	79.1	Confident	81.5	Confident	10 Å²	10	48.9 Å²	48.9	8%	0.083	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.3	174.1	0	0	0	0	0	113.7	I221 Y223 Q232 F262 S287	I221-A289 HydrophobicContact CD1-CB 3.47Å; I221-A289 VanDerWaalsContact CD1-CB 3.47Å; Y223-A289 PolarHBondContact OH-O 3.42Å; Q232-A289 PolarHBondContact NE2-O 2.92Å; Q232-A289 VanDerWaalsContact NE2-O 3.12Å; F262-A289 HydrophobicContact CE2-CB 4.1Å; S287-A289 PolarHBondContact O-N 3.24Å; S287-A289 WeakPolarHBondContact OG-CB 3.5Å; S287-A289 PolarHBondContact OG-N 3.3Å
290	L	79.5	Confident	81.3	Confident	93 Å²	93	50.2 Å²	50.2	49%	0.487	27%	0.265	S	S	.	.	S	Bend	trans	-73.6	-90.1	-171.5	-65.6	178.7	0	0	0	114.4	Q232 G267 K286 S287 P288	Q232-L290 PolarHBondContact NE2-O 3.13Å; G267-L290 WeakPolarHBondContact O-CD1 3.39Å; K286-L290 HydrophobicContact CG-CD1 4.02Å; S287-L290 PolarHBondContact O-N 2.84Å; S287-L290 VanDerWaalsContact O-N 3.17Å; P288-L290 PolarHBondContact O-N 3.28Å
291	D	76.5	Confident	80.9	Confident	82 Å²	82	53 Å²	53	44%	0.439	28%	0.276	S	S	.	.	S	Bend	trans	-115.6	-2.5	-175.2	64.6	-1.4	0	0	0	112.7	K286 K293	K286-D291 WeakPolarHBondContact CE-OD1 3.4Å; K286-D291 IonicContact NZ-OD1 3.92Å; K286-D291 PolarHBondContact NZ-OD1 2.95Å; K286-D291 IonicContact NZ-OD2 3.7Å; K286-D291 PolarHBondContact NZ-OD2 2.92Å; D291-K293 PolarHBondContact O-N 3.01Å; D291-K293 VanDerWaalsContact O-N 3.08Å; D291-K293 PolarHBondContact OD1-N 3.12Å
292	G	78.1	Confident	80.7	Confident	1 Å²	1	54 Å²	54	1%	0.01	28%	0.281	C	S	.	.			trans	64.4	2.6	-173	0	0	0	0	0	115.4	R241 S242 S243 V294	R241-G292 CarbonylContact C-O 3.6Å; R241-G292 WeakPolarHBondContact CA-O 3.41Å; S242-G292 PolarHBondContact N-O 3.04Å; S242-G292 PolarHBondContact OG-O 2.68Å; S243-G292 WeakPolarHBondContact OG-CA 3.45Å; S243-G292 PolarHBondContact OG-N 3.23Å; G292-V294 PolarHBondContact O-N 2.86Å
293	K	82.6	Confident	80.2	Confident	134 Å²	134	56.3 Å²	56.3	58%	0.583	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-86	111.9	-179.2	-174.3	-173.2	175.5	-171.6	0	109.5	K286 D291 E295	K286-K293 PolarHBondContact NZ-O 3.14Å; D291-K293 PolarHBondContact O-N 3.01Å; D291-K293 VanDerWaalsContact O-N 3.08Å; D291-K293 PolarHBondContact OD1-N 3.12Å; K293-E295 PolarHBondContact O-N 2.78Å
294	V	84.4	Confident	79.8	Confident	17 Å²	17	58.4 Å²	58.4	10%	0.103	30%	0.299	C	S	.	.			trans	-66.7	114.8	173.2	176.3	0	0	0	0	109.2	K237 S240 G292 R296 E302	K237-V294 HydrophobicContact CD-CG1 4.34Å; K237-V294 HydrophobicContact CD-CG2 3.84Å; K237-V294 HydrophobicContact CG-CG2 4.11Å; S240-V294 WeakPolarHBondContact O-CB 3.5Å; S240-V294 PolarHBondContact O-N 2.79Å; G292-V294 PolarHBondContact O-N 2.86Å; V294-R296 HydrophobicContact CG1-CG 4.14Å; V294-E302 HydrophobicContact CG1-CG 4.19Å
295	E	77.3	Confident	79.1	Confident	71 Å²	71	59.7 Å²	59.7	33%	0.332	30%	0.304	S	S	.	.			trans	-75.2	140.5	171.5	-72.2	173.4	-164.6	0	0	110.9	K286 K293 I303 Y305	K286-E295 HydrophobicContact CD-CG 4.04Å; K286-E295 VanDerWaalsContact CD-OE1 3.31Å; K286-E295 WeakPolarHBondContact CD-OE1 3.36Å; K286-E295 WeakPolarHBondContact CE-OE1 3.5Å; K286-E295 IonicContact NZ-OE1 3.78Å; K286-E295 PolarHBondContact NZ-OE1 2.96Å; K293-E295 PolarHBondContact O-N 2.78Å; E295-I303 HydrophobicContact CB-CB 4.48Å; E295-I303 HydrophobicContact CB-CD1 4.19Å; E295-I303 HydrophobicContact CB-CG1 4.45Å; E295-I303 PolarHBondContact O-N 3.5Å; E295-Y305 PolarHBondContact OE2-OH 3.31Å
296	R	80.7	Confident	78.1	Confident	111 Å²	111	59.3 Å²	59.3	42%	0.419	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-137.1	145.4	-175.2	-67.2	179.5	179.7	-106.4	8.1	111.2	G239 V294 G300 K301 I303	G239-R296 PolarHBondContact O-NH2 3.17Å; V294-R296 HydrophobicContact CG1-CG 4.14Å; R296-G300 WeakPolarHBondContact CD-O 3.36Å; R296-G300 PolarHBondContact NH1-O 3.4Å; R296-K301 CarbonylContact C-O 3.53Å; R296-K301 WeakPolarHBondContact CA-O 3.14Å; R296-K301 VanDerWaalsContact CB-O 3.28Å; R296-K301 WeakPolarHBondContact CB-O 3.5Å; R296-I303 VanDerWaalsContact C-CG1 3.46Å
297	D	75	Confident	77.7	Confident	60 Å²	60	58 Å²	58	32%	0.321	30%	0.301	S	S	.	.			trans	-76.9	179	173.1	61.3	25.3	0	0	0	111.7	E299 G300 K301 I303	D297-E299 PolarHBondContact O-N 2.8Å; D297-E299 WeakPolarHBondContact OD1-CA 3.48Å; D297-E299 WeakPolarHBondContact OD1-CB 3.37Å; D297-E299 PolarHBondContact OD1-N 2.92Å; D297-E299 VanDerWaalsContact OD1-N 3.08Å; D297-G300 WeakPolarHBondContact O-CA 3.47Å; D297-G300 PolarHBondContact O-N 3.49Å; D297-G300 PolarHBondContact OD1-N 3.11Å; D297-K301 PolarHBondContact N-O 3.47Å; D297-K301 PolarHBondContact OD1-N 2.94Å; D297-K301 WeakPolarHBondContact OD2-CB 3.45Å; D297-I303 HydrophobicContact CB-CG1 4.31Å
298	S	74.8	Confident	77	Confident	132 Å²	132	58.4 Å²	58.4	92%	0.923	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.5	177.6	48.6	0	0	0	0	114.1	G300	S298-G300 VanDerWaalsContact C-N 3.28Å
299	E	73.8	Confident	76.5	Confident	140 Å²	140	57.4 Å²	57.4	65%	0.654	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	1.8	170.1	-64.8	-173.2	-125.6	0	0	112.5	D297 K301	D297-E299 PolarHBondContact O-N 2.8Å; D297-E299 WeakPolarHBondContact OD1-CA 3.48Å; D297-E299 WeakPolarHBondContact OD1-CB 3.37Å; D297-E299 PolarHBondContact OD1-N 2.92Å; D297-E299 VanDerWaalsContact OD1-N 3.08Å; E299-K301 HydrophobicContact CB-CD 4.19Å; E299-K301 HydrophobicContact CB-CG 4.31Å; E299-K301 PolarHBondContact O-N 3.48Å; E299-K301 IonicContact OE1-NZ 2.67Å; E299-K301 PolarHBondContact OE1-NZ 3.12Å; E299-K301 WeakPolarHBondContact OE2-CE 3.38Å; E299-K301 IonicContact OE2-NZ 2.66Å; E299-K301 PolarHBondContact OE2-NZ 3.43Å
300	G	76.8	Confident	76.1	Confident	32 Å²	32	60.2 Å²	60.2	33%	0.33	31%	0.309	S	S	.	.	S	Bend	trans	71.8	9.9	-177.8	0	0	0	0	0	114.3	R296 D297 S298	R296-G300 WeakPolarHBondContact CD-O 3.36Å; R296-G300 PolarHBondContact NH1-O 3.4Å; D297-G300 WeakPolarHBondContact O-CA 3.47Å; D297-G300 PolarHBondContact O-N 3.49Å; D297-G300 PolarHBondContact OD1-N 3.11Å; S298-G300 VanDerWaalsContact C-N 3.28Å
301	K	79.3	Confident	75.6	Confident	67 Å²	67	59 Å²	59	29%	0.291	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-73.7	156.2	172.4	-55	156.2	-179.3	162.3	0	109.1	R296 D297 E299 I303	R296-K301 CarbonylContact C-O 3.53Å; R296-K301 WeakPolarHBondContact CA-O 3.14Å; R296-K301 VanDerWaalsContact CB-O 3.28Å; R296-K301 WeakPolarHBondContact CB-O 3.5Å; D297-K301 PolarHBondContact N-O 3.47Å; D297-K301 PolarHBondContact OD1-N 2.94Å; D297-K301 WeakPolarHBondContact OD2-CB 3.45Å; E299-K301 HydrophobicContact CB-CD 4.19Å; E299-K301 HydrophobicContact CB-CG 4.31Å; E299-K301 PolarHBondContact O-N 3.48Å; E299-K301 IonicContact OE1-NZ 2.67Å; E299-K301 PolarHBondContact OE1-NZ 3.12Å; E299-K301 WeakPolarHBondContact OE2-CE 3.38Å; E299-K301 IonicContact OE2-NZ 2.66Å; E299-K301 PolarHBondContact OE2-NZ 3.43Å; K301-I303 PolarHBondContact O-N 2.84Å
302	E	81.7	Confident	75.6	Confident	57 Å²	57	58 Å²	58	27%	0.266	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-68.2	122.5	173.5	-179.3	177.5	149.6	0	0	109.9	K237 R285 V294 R304	K237-E302 IonicContact NZ-OE2 2.69Å; K237-E302 PolarHBondContact NZ-OE2 3.31Å; R285-E302 WeakPolarHBondContact CD-OE1 3.48Å; R285-E302 IonicContact CZ-OE1 3.51Å; R285-E302 IonicContact NE-OE1 3.32Å; R285-E302 IonicContact NH1-OE1 2.71Å; R285-E302 PolarHBondContact NH1-OE1 2.84Å; R285-E302 IonicContact NH1-OE2 3.66Å; V294-E302 HydrophobicContact CG1-CG 4.19Å; E302-R304 WeakPolarHBondContact O-CG 3.14Å; E302-R304 PolarHBondContact O-N 2.92Å
303	I	77.8	Confident	76	Confident	55 Å²	55	58 Å²	58	28%	0.282	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-62.5	137	178.4	-60.1	-176.4	0	0	0	109.1	E295 R296 D297 K301 Y305	E295-I303 HydrophobicContact CB-CB 4.48Å; E295-I303 HydrophobicContact CB-CD1 4.19Å; E295-I303 HydrophobicContact CB-CG1 4.45Å; E295-I303 PolarHBondContact O-N 3.5Å; R296-I303 VanDerWaalsContact C-CG1 3.46Å; D297-I303 HydrophobicContact CB-CG1 4.31Å; K301-I303 PolarHBondContact O-N 2.84Å; I303-Y305 HydrophobicContact CG2-CD1 3.92Å; I303-Y305 HydrophobicContact CG2-CE1 3.39Å
304	R	75.9	Confident	75.9	Confident	51 Å²	51	52.2 Å²	52.2	19%	0.192	28%	0.275	C	S	.	.			trans	-133.6	149.9	174.1	-43.4	-170.3	-153.4	141	27.5	109	E283 R285 E302 K352	E283-R304 HydrophobicContact CB-CB 4.47Å; E283-R304 VanDerWaalsContact OE1-CD 3.22Å; E283-R304 WeakPolarHBondContact OE1-CD 3.34Å; E283-R304 IonicContact OE1-NE 3.77Å; E283-R304 IonicContact OE1-NH1 3.73Å; E283-R304 WeakPolarHBondContact OE2-CD 3.36Å; E283-R304 IonicContact OE2-CZ 2.66Å; E283-R304 IonicContact OE2-NE 2.85Å; E283-R304 IonicContact OE2-NH1 2.72Å; E283-R304 PolarHBondContact OE2-NH1 2.86Å; R285-R304 HydrophobicContact CG-CB 4.33Å; R285-R304 HydrophobicContact CG-CG 4.13Å; E302-R304 WeakPolarHBondContact O-CG 3.14Å; E302-R304 PolarHBondContact O-N 2.92Å; R304-K352 VanDerWaalsContact CZ-O 3.27Å; R304-K352 PolarHBondContact NH1-O 3.17Å; R304-K352 PolarHBondContact NH2-O 3.06Å
305	Y	69.9	Low	75.8	Confident	27 Å²	27	52.9 Å²	52.9	11%	0.106	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122	179.6	-41.1	-53.5	0	0	0	107.7	T268 E283 A284 E295 I303 T618 I620	T268-Y305 HydrophobicContact CG2-CD2 4Å; T268-Y305 HydrophobicContact CG2-CE2 3.84Å; E283-Y305 CarbonylContact C-O 3.56Å; E283-Y305 WeakPolarHBondContact CA-O 3.19Å; A284-Y305 HydrophobicContact CB-CD2 4.44Å; A284-Y305 PolarHBondContact N-O 3.21Å; A284-Y305 PolarHBondContact O-N 3.38Å; E295-Y305 PolarHBondContact OE2-OH 3.31Å; I303-Y305 HydrophobicContact CG2-CD1 3.92Å; I303-Y305 HydrophobicContact CG2-CE1 3.39Å; Y305-T618 HydrophobicContact CD1-CG2 3.41Å; Y305-T618 VanDerWaalsContact CD1-CG2 3.41Å; Y305-T618 HydrophobicContact CE1-CG2 4.27Å; Y305-T618 HydrophobicContact CG-CG2 4.05Å; Y305-I620 VanDerWaalsContact CB-CG2 3.5Å; Y305-I620 HydrophobicContact CD2-CG2 4.35Å; Y305-I620 HydrophobicContact CG-CG2 4.13Å
306	P	64.9	Low	76.4	Confident	25 Å²	25	50 Å²	50	16%	0.162	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	146.1	179.5	29	-37	0	0	0	111.2	L613	P306-L613 HydrophobicContact CB-CD1 3.94Å; P306-L613 HydrophobicContact CB-CD2 3.38Å; P306-L613 HydrophobicContact CB-CG 4.11Å; P306-L613 HydrophobicContact CG-CB 3.81Å; P306-L613 HydrophobicContact CG-CD1 3.22Å; P306-L613 HydrophobicContact CG-CD2 3.46Å; P306-L613 VanDerWaalsContact CG-CD2 3.46Å; P306-L613 HydrophobicContact CG-CG 3.6Å
307	V	74.5	Confident	76.9	Confident	11 Å²	11	44.7 Å²	44.7	7%	0.067	24%	0.244	C	C	.	.			trans	-125.4	128.6	-176.1	172.3	0	0	0	0	110.7	V270 A282 A284 L309 I620	V270-V307 HydrophobicContact CG1-CB 4.23Å; V270-V307 HydrophobicContact CG1-CG1 3.87Å; V270-V307 HydrophobicContact CG1-CG2 4.23Å; V270-V307 HydrophobicContact CG2-CG1 4.39Å; V270-V307 HydrophobicContact CG2-CG2 4.25Å; A282-V307 HydrophobicContact CB-CB 3.93Å; A282-V307 HydrophobicContact CB-CG1 4.17Å; A282-V307 PolarHBondContact O-N 3.48Å; A284-V307 HydrophobicContact CB-CG2 3.44Å; A284-V307 VanDerWaalsContact CB-CG2 3.44Å; V307-L309 HydrophobicContact CG1-CD2 4.21Å; V307-I620 HydrophobicContact CG2-CD1 4.21Å
308	I	71	Confident	77.5	Confident	22 Å²	22	45.3 Å²	45.3	11%	0.113	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-77	122.7	158.7	-63.9	173.9	0	0	0	107.4	R335 H582 L589 L611 M624	I308-R335 PolarHBondContact O-NH2 2.88Å; I308-H582 WeakPolarHBondContact CG1-NE2 3.47Å; I308-H582 WeakPolarHBondContact CG2-NE2 3.49Å; I308-L589 HydrophobicContact CD1-CD2 3.59Å; I308-L589 HydrophobicContact CD1-CG 4.09Å; I308-L611 HydrophobicContact CD1-CD1 3.69Å; I308-L611 HydrophobicContact CD1-CD2 4.5Å; I308-L611 HydrophobicContact CG1-CD1 3.9Å; I308-M624 HydrophobicContact CB-CE 3.71Å; I308-M624 HydrophobicContact CD1-CE 3.6Å; I308-M624 HydrophobicContact CG1-CE 3.62Å
309	L	73.9	Confident	78.3	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-73.7	129.9	166.6	-63.1	-174.6	0	0	0	110	V270 V272 A280 A282 V307 E313 K314 S317	V270-L309 HydrophobicContact CG1-CD2 4.3Å; V272-L309 HydrophobicContact CG1-CD1 3.88Å; V272-L309 HydrophobicContact CG2-CD1 4.41Å; V272-L309 HydrophobicContact CG2-CD2 3.95Å; A280-L309 HydrophobicContact CB-CD1 3.99Å; A282-L309 HydrophobicContact CB-CD1 4.24Å; A282-L309 HydrophobicContact CB-CD2 3.48Å; A282-L309 VanDerWaalsContact CB-CD2 3.48Å; A282-L309 HydrophobicContact CB-CG 3.71Å; V307-L309 HydrophobicContact CG1-CD2 4.21Å; L309-E313 WeakPolarHBondContact CA-OE2 3.49Å; L309-E313 HydrophobicContact CB-CB 3.97Å; L309-E313 HydrophobicContact CD2-CB 4.02Å; L309-E313 HydrophobicContact CG-CB 4.43Å; L309-K314 HydrophobicContact CB-CG 3.89Å; L309-K314 WeakPolarHBondContact O-CE 3.35Å; L309-S317 WeakPolarHBondContact CD1-OG 3.29Å
310	N	68.9	Low	79.3	Confident	68 Å²	68	36 Å²	36	36%	0.364	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-70.8	170.1	170.2	81	50.7	0	0	0	110.3	S312 E313 K314 S340	N310-S312 PolarHBondContact O-N 3.02Å; N310-S312 WeakPolarHBondContact OD1-CA 3.46Å; N310-S312 WeakPolarHBondContact OD1-CB 3.34Å; N310-S312 PolarHBondContact OD1-N 2.94Å; N310-E313 PolarHBondContact N-OE2 3.39Å; N310-E313 WeakPolarHBondContact ND2-CG 3.44Å; N310-E313 PolarHBondContact ND2-OE1 3.31Å; N310-E313 PolarHBondContact ND2-OE2 3Å; N310-E313 PolarHBondContact O-N 3.37Å; N310-E313 VanDerWaalsContact O-N 3.08Å; N310-E313 PolarHBondContact OD1-N 3.21Å; N310-E313 VanDerWaalsContact OD1-N 3.09Å; N310-K314 WeakPolarHBondContact O-CG 3.41Å; N310-K314 PolarHBondContact O-N 3.29Å; N310-S340 PolarHBondContact ND2-OG 3.48Å
311	H	69.6	Low	80.1	Confident	68 Å²	68	34.8 Å²	34.8	32%	0.315	17%	0.169	S	C	.	.	H	α-helix	trans	-57.8	-43.2	-175.6	-177.4	61.7	0	0	0	113.9	E313 K314 L315 M831 N832	H311-E313 VanDerWaalsContact C-N 3.33Å; H311-E313 PolarHBondContact O-N 2.93Å; H311-K314 PolarHBondContact O-N 3.38Å; H311-L315 PolarHBondContact O-N 3.04Å; H311-L315 VanDerWaalsContact O-N 3.12Å; H311-M831 WeakPolarHBondContact CE1-CB 3.29Å; H311-M831 WeakPolarHBondContact NE2-CB 3.36Å; H311-N832 PolarHBondContact CE1-ND2 3.09Å; H311-N832 PolarHBondContact CE1-OD1 3.18Å; H311-N832 PolarHBondContact ND1-ND2 2.89Å; H311-N832 PolarHBondContact ND1-OD1 3.41Å
312	S	76.6	Confident	80.7	Confident	62 Å²	62	35.8 Å²	35.8	43%	0.434	18%	0.177	S	C	.	.	H	α-helix	trans	-64.1	-37.4	175.6	-179.1	0	0	0	0	111.7	N310 L315 I316	N310-S312 PolarHBondContact O-N 3.02Å; N310-S312 WeakPolarHBondContact OD1-CA 3.46Å; N310-S312 WeakPolarHBondContact OD1-CB 3.34Å; N310-S312 PolarHBondContact OD1-N 2.94Å; S312-L315 WeakPolarHBondContact O-CB 3.3Å; S312-L315 PolarHBondContact O-N 3.12Å; S312-I316 WeakPolarHBondContact O-CG1 3.18Å; S312-I316 PolarHBondContact O-N 3.49Å
313	E	86.8	Confident	81.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72.4	-33.2	177.9	-65.3	167	155.1	0	0	113.1	L309 N310 H311 L315 I316 S317 L333 R335 S340	L309-E313 WeakPolarHBondContact CA-OE2 3.49Å; L309-E313 HydrophobicContact CB-CB 3.97Å; L309-E313 HydrophobicContact CD2-CB 4.02Å; L309-E313 HydrophobicContact CG-CB 4.43Å; N310-E313 PolarHBondContact N-OE2 3.39Å; N310-E313 WeakPolarHBondContact ND2-CG 3.44Å; N310-E313 PolarHBondContact ND2-OE1 3.31Å; N310-E313 PolarHBondContact ND2-OE2 3Å; N310-E313 PolarHBondContact O-N 3.37Å; N310-E313 VanDerWaalsContact O-N 3.08Å; N310-E313 PolarHBondContact OD1-N 3.21Å; N310-E313 VanDerWaalsContact OD1-N 3.09Å; H311-E313 VanDerWaalsContact C-N 3.33Å; H311-E313 PolarHBondContact O-N 2.93Å; E313-L315 VanDerWaalsContact C-N 3.3Å; E313-I316 PolarHBondContact O-N 2.93Å; E313-S317 WeakPolarHBondContact O-CB 3.16Å; E313-S317 PolarHBondContact O-N 2.78Å; E313-S317 PolarHBondContact O-OG 2.74Å; E313-L333 HydrophobicContact CB-CD1 4.08Å; E313-L333 HydrophobicContact CG-CD1 3.92Å; E313-R335 WeakPolarHBondContact OE1-CG 3.44Å; E313-R335 IonicContact OE1-CZ 3.23Å; E313-R335 IonicContact OE1-NE 3.69Å; E313-R335 PolarHBondContact OE1-NE 2.98Å; E313-R335 IonicContact OE1-NH2 2.91Å; E313-R335 PolarHBondContact OE1-NH2 2.71Å; E313-R335 IonicContact OE2-CZ 2.71Å; E313-R335 IonicContact OE2-NE 3.49Å; E313-R335 IonicContact OE2-NH2 2.79Å; E313-R335 PolarHBondContact OE2-NH2 2.97Å; E313-S340 VanDerWaalsContact CD-OG 3.3Å; E313-S340 WeakPolarHBondContact CG-OG 3.41Å; E313-S340 WeakPolarHBondContact OE1-CB 3.29Å; E313-S340 PolarHBondContact OE1-OG 3.17Å
314	K	81	Confident	82.2	Confident	12 Å²	12	31.2 Å²	31.2	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-41.8	169.2	-67.2	-177.5	173.5	-163.4	0	110.4	L309 N310 H311 S317 R318 H582 F585 H587	L309-K314 HydrophobicContact CB-CG 3.89Å; L309-K314 WeakPolarHBondContact O-CE 3.35Å; N310-K314 WeakPolarHBondContact O-CG 3.41Å; N310-K314 PolarHBondContact O-N 3.29Å; H311-K314 PolarHBondContact O-N 3.38Å; K314-S317 WeakPolarHBondContact O-CB 3.45Å; K314-S317 PolarHBondContact O-N 3.02Å; K314-R318 PolarHBondContact O-N 2.88Å; K314-H582 PolarHBondContact NZ-O 3.01Å; K314-F585 HydrophobicContact CB-CD1 3.85Å; K314-F585 HydrophobicContact CB-CD2 4.18Å; K314-F585 HydrophobicContact CB-CE1 3.89Å; K314-F585 HydrophobicContact CB-CE2 4.21Å; K314-F585 HydrophobicContact CB-CG 4.01Å; K314-F585 HydrophobicContact CB-CZ 4.07Å; K314-F585 HydrophobicContact CD-CB 4.05Å; K314-F585 HydrophobicContact CD-CD1 3.51Å; K314-F585 HydrophobicContact CD-CE1 4.19Å; K314-F585 HydrophobicContact CD-CG 3.91Å; K314-F585 HydrophobicContact CG-CD1 3.52Å; K314-F585 HydrophobicContact CG-CE1 3.67Å; K314-F585 HydrophobicContact CG-CG 4.11Å; K314-F585 HydrophobicContact CG-CZ 4.35Å; K314-F585 WeakPolarHBondContact O-CE2 3.41Å; K314-H587 PolarHBondContact NZ-O 2.89Å
315	L	81.6	Confident	83.1	Confident	31 Å²	31	34.7 Å²	34.7	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-42.5	174.6	-73.9	169.8	0	0	0	113.6	H311 S312 E313 S317 R318 K319 M831	H311-L315 PolarHBondContact O-N 3.04Å; H311-L315 VanDerWaalsContact O-N 3.12Å; S312-L315 WeakPolarHBondContact O-CB 3.3Å; S312-L315 PolarHBondContact O-N 3.12Å; E313-L315 VanDerWaalsContact C-N 3.3Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.01Å; L315-R318 PolarHBondContact O-N 3.34Å; L315-K319 WeakPolarHBondContact O-CG 3.38Å; L315-K319 PolarHBondContact O-N 2.79Å; L315-M831 HydrophobicContact CD1-CB 4.19Å; L315-M831 HydrophobicContact CD1-CE 4.25Å; L315-M831 HydrophobicContact CD1-CG 4.43Å; L315-M831 HydrophobicContact CD1-SD 3.4Å; L315-M831 WeakPolarHBondContact CD1-SD 3.23Å; L315-M831 HydrophobicContact CD2-CB 4.04Å; L315-M831 HydrophobicContact CD2-CE 3.65Å; L315-M831 HydrophobicContact CD2-CG 4.27Å; L315-M831 HydrophobicContact CD2-SD 3.74Å; L315-M831 HydrophobicContact CG-CB 4.5Å; L315-M831 HydrophobicContact CG-SD 4.19Å
316	I	90.8	Very high	84.4	Confident	10 Å²	10	33.4 Å²	33.4	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-46.3	171.9	-71.4	166.9	0	0	0	109.8	I169 S312 E313 R318 K319 V320 F331 L333 S340 V342	I169-I316 HydrophobicContact CG2-CG1 4.36Å; I169-I316 HydrophobicContact CG2-CG2 4.11Å; S312-I316 WeakPolarHBondContact O-CG1 3.18Å; S312-I316 PolarHBondContact O-N 3.49Å; E313-I316 PolarHBondContact O-N 2.93Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 2.74Å; I316-K319 PolarHBondContact O-N 2.91Å; I316-V320 HydrophobicContact CG2-CG2 4.27Å; I316-V320 WeakPolarHBondContact O-CB 3.31Å; I316-V320 VanDerWaalsContact O-CG2 3.29Å; I316-V320 WeakPolarHBondContact O-CG2 3.42Å; I316-V320 PolarHBondContact O-N 2.82Å; I316-F331 HydrophobicContact CG2-CE2 3.83Å; I316-F331 HydrophobicContact CG2-CZ 4.12Å; I316-L333 HydrophobicContact CG2-CD1 4.47Å; I316-S340 WeakPolarHBondContact CD1-O 3.49Å; I316-V342 HydrophobicContact CG2-CG2 3.33Å
317	S	90.6	Very high	85.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-45.6	177.2	-52.2	0	0	0	0	112.2	L309 E313 K314 L315 C321	L309-S317 WeakPolarHBondContact CD1-OG 3.29Å; E313-S317 WeakPolarHBondContact O-CB 3.16Å; E313-S317 PolarHBondContact O-N 2.78Å; E313-S317 PolarHBondContact O-OG 2.74Å; K314-S317 WeakPolarHBondContact O-CB 3.45Å; K314-S317 PolarHBondContact O-N 3.02Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.01Å; S317-C321 WeakPolarHBondContact O-CB 3.24Å; S317-C321 PolarHBondContact O-N 3.45Å
318	R	87.2	Confident	86.8	Confident	73 Å²	73	32.6 Å²	32.6	28%	0.275	16%	0.164	S	C	.	.	H	α-helix	trans	-63.7	-46.6	177.5	-175.1	164.9	-174.8	-88.3	-2.7	112.3	P277 D278 K314 L315 I316 L322 F585	P277-R318 HydrophobicContact CB-CG 4.14Å; P277-R318 WeakPolarHBondContact O-CA 3.49Å; P277-R318 WeakPolarHBondContact O-CB 3.31Å; P277-R318 WeakPolarHBondContact O-CG 3.36Å; D278-R318 WeakPolarHBondContact OD1-CD 3.39Å; D278-R318 IonicContact OD1-CZ 2.77Å; D278-R318 IonicContact OD1-NE 3.57Å; D278-R318 PolarHBondContact OD1-NE 3.42Å; K314-R318 PolarHBondContact O-N 2.88Å; L315-R318 PolarHBondContact O-N 3.34Å; I316-R318 VanDerWaalsContact C-N 3.33Å; I316-R318 PolarHBondContact O-N 2.74Å; R318-L322 HydrophobicContact CG-CD1 4.13Å; R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 2.81Å; R318-F585 HydrophobicContact CB-CE2 4.44Å
319	K	91.4	Very high	88	Confident	78 Å²	78	31.6 Å²	31.6	34%	0.339	16%	0.158	S	C	.	.	H	α-helix	trans	-60.5	-49.6	175.2	-71.3	-171.5	176.7	-168.2	0	111.3	E167 G168 I169 L315 I316 C321 L322 A323	E167-K319 WeakPolarHBondContact O-CE 3.26Å; E167-K319 PolarHBondContact O-NZ 3.39Å; G168-K319 PolarHBondContact O-NZ 2.85Å; I169-K319 HydrophobicContact CD1-CB 3.78Å; I169-K319 HydrophobicContact CD1-CD 4.32Å; I169-K319 HydrophobicContact CG1-CB 4.06Å; I169-K319 HydrophobicContact CG1-CD 3.7Å; L315-K319 WeakPolarHBondContact O-CG 3.38Å; L315-K319 PolarHBondContact O-N 2.79Å; I316-K319 PolarHBondContact O-N 2.91Å; K319-C321 PolarHBondContact O-N 3.34Å; K319-L322 PolarHBondContact O-N 3.32Å; K319-A323 WeakPolarHBondContact O-CB 3.37Å; K319-A323 PolarHBondContact O-N 2.93Å
320	V	95.4	Very high	89.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.2	-46.4	179.5	171.1	0	0	0	0	111.4	L164 I169 I316 L322 F324 F331 V345	L164-V320 HydrophobicContact CD2-CG2 4Å; I169-V320 HydrophobicContact CD1-CG2 3.91Å; I316-V320 HydrophobicContact CG2-CG2 4.27Å; I316-V320 WeakPolarHBondContact O-CB 3.31Å; I316-V320 VanDerWaalsContact O-CG2 3.29Å; I316-V320 WeakPolarHBondContact O-CG2 3.42Å; I316-V320 PolarHBondContact O-N 2.82Å; V320-L322 VanDerWaalsContact C-N 3.32Å; V320-L322 PolarHBondContact O-N 3.42Å; V320-F324 HydrophobicContact CG1-CD2 4.02Å; V320-F324 HydrophobicContact CG1-CE2 4.47Å; V320-F324 WeakPolarHBondContact O-CD2 3.29Å; V320-F324 PolarHBondContact O-N 3.35Å; V320-F324 VanDerWaalsContact O-N 3.16Å; V320-F331 HydrophobicContact CB-CD1 4.3Å; V320-F331 HydrophobicContact CB-CE1 4.31Å; V320-F331 HydrophobicContact CG1-CB 4.34Å; V320-F331 HydrophobicContact CG1-CD1 3.81Å; V320-F331 HydrophobicContact CG1-CE1 4.3Å; V320-F331 HydrophobicContact CG1-CG 4.12Å; V320-V345 HydrophobicContact CG1-CG1 4.25Å; V320-V345 HydrophobicContact CG1-CG2 4.48Å
321	C	93.5	Very high	90.5	Very high	6 Å²	6	28.1 Å²	28.1	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-44	177.9	-174.1	0	0	0	0	112.6	T274 S317 K319 K325 Q326	T274-C321 HydrophobicContact CG2-CB 4.25Å; S317-C321 WeakPolarHBondContact O-CB 3.24Å; S317-C321 PolarHBondContact O-N 3.45Å; K319-C321 PolarHBondContact O-N 3.34Å; C321-K325 WeakPolarHBondContact O-CA 3.46Å; C321-K325 PolarHBondContact O-N 3.06Å; C321-Q326 PolarHBondContact O-N 2.9Å; C321-Q326 VanDerWaalsContact O-N 3.17Å; C321-Q326 PolarHBondContact SG-O 3.13Å
322	L	91.6	Very high	91.7	Very high	88 Å²	88	25.9 Å²	25.9	46%	0.461	13%	0.131	S	C	.	.	H	α-helix	trans	-75.8	-47.1	-177.5	-67.5	169.9	0	0	0	112.2	P277 R318 K319 V320 K325	P277-L322 HydrophobicContact CB-CD1 4.29Å; P277-L322 HydrophobicContact CB-CD2 3.91Å; P277-L322 HydrophobicContact CB-CG 3.96Å; P277-L322 HydrophobicContact CG-CD2 4.33Å; R318-L322 HydrophobicContact CG-CD1 4.13Å; R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 2.81Å; K319-L322 PolarHBondContact O-N 3.32Å; V320-L322 VanDerWaalsContact C-N 3.32Å; V320-L322 PolarHBondContact O-N 3.42Å; L322-K325 VanDerWaalsContact O-CG 3.31Å; L322-K325 WeakPolarHBondContact O-CG 3.44Å; L322-K325 PolarHBondContact O-N 3.03Å; L322-K325 VanDerWaalsContact O-N 3.11Å
323	A	94.8	Very high	92.5	Very high	15 Å²	15	22.9 Å²	22.9	12%	0.124	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-46.9	-176.6	0	0	0	0	0	112.5	I163 E167 K319 K325	I163-A323 HydrophobicContact CG2-CB 3.97Å; E167-A323 HydrophobicContact CG-CB 3.71Å; K319-A323 WeakPolarHBondContact O-CB 3.37Å; K319-A323 PolarHBondContact O-N 2.93Å; A323-K325 VanDerWaalsContact C-N 3.27Å; A323-K325 PolarHBondContact O-N 3.4Å
324	F	95.9	Very high	92.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.4	176.4	-67.8	-85.5	0	0	0	112.9	M150 I154 V160 I163 L164 V320 Q326 V345	M150-F324 VanDerWaalsContact CB-O 3.25Å; M150-F324 WeakPolarHBondContact CB-O 3.47Å; M150-F324 WeakPolarHBondContact CG-O 3.24Å; I154-F324 HydrophobicContact CD1-CB 4.34Å; I154-F324 HydrophobicContact CD1-CD1 4.17Å; I154-F324 HydrophobicContact CG1-CD1 3.69Å; I154-F324 HydrophobicContact CG1-CE1 4.26Å; V160-F324 HydrophobicContact CB-CE1 4.37Å; V160-F324 HydrophobicContact CB-CZ 4.36Å; V160-F324 HydrophobicContact CG1-CE1 4.29Å; V160-F324 HydrophobicContact CG1-CZ 3.91Å; V160-F324 HydrophobicContact CG2-CE1 4.17Å; I163-F324 HydrophobicContact CB-CE1 4.12Å; I163-F324 HydrophobicContact CB-CE2 4.45Å; I163-F324 HydrophobicContact CB-CZ 3.82Å; I163-F324 HydrophobicContact CD1-CD1 4.24Å; I163-F324 HydrophobicContact CD1-CE1 3.73Å; I163-F324 HydrophobicContact CD1-CZ 4.33Å; I163-F324 HydrophobicContact CG2-CD1 4.47Å; I163-F324 HydrophobicContact CG2-CD2 4.29Å; I163-F324 HydrophobicContact CG2-CE1 3.98Å; I163-F324 HydrophobicContact CG2-CE2 3.77Å; I163-F324 HydrophobicContact CG2-CZ 3.59Å; L164-F324 HydrophobicContact CD2-CE2 3.88Å; L164-F324 HydrophobicContact CD2-CZ 4.39Å; L164-F324 HydrophobicContact CG-CE2 4.25Å; L164-F324 HydrophobicContact CG-CZ 4.27Å; V320-F324 HydrophobicContact CG1-CD2 4.02Å; V320-F324 HydrophobicContact CG1-CE2 4.47Å; V320-F324 WeakPolarHBondContact O-CD2 3.29Å; V320-F324 PolarHBondContact O-N 3.35Å; V320-F324 VanDerWaalsContact O-N 3.16Å; F324-Q326 HydrophobicContact CB-CG 4.02Å; F324-Q326 WeakPolarHBondContact O-CG 3.47Å; F324-Q326 PolarHBondContact O-N 2.92Å; F324-Q326 PolarHBondContact O-NE2 3.36Å; F324-V345 HydrophobicContact CD1-CG1 4.38Å; F324-V345 HydrophobicContact CD2-CG1 4.11Å; F324-V345 HydrophobicContact CE1-CG1 4.43Å; F324-V345 HydrophobicContact CE2-CG1 4.18Å; F324-V345 HydrophobicContact CE2-CG2 4.09Å; F324-V345 HydrophobicContact CG-CG1 4.22Å; F324-V345 HydrophobicContact CZ-CB 4.46Å; F324-V345 HydrophobicContact CZ-CG1 4.34Å; F324-V345 HydrophobicContact CZ-CG2 4.23Å
325	K	95.9	Very high	93.1	Very high	124 Å²	124	25.9 Å²	25.9	54%	0.539	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	38.1	-179.3	-56.3	173.4	-176.6	172.6	0	112.6	N147 M150 C321 L322 A323	N147-K325 HydrophobicContact CB-CB 3.64Å; N147-K325 WeakPolarHBondContact CB-O 3.41Å; N147-K325 PolarHBondContact N-O 2.81Å; M150-K325 HydrophobicContact CG-CB 4.2Å; M150-K325 HydrophobicContact CG-CD 4.25Å; M150-K325 HydrophobicContact CG-CG 4.46Å; C321-K325 WeakPolarHBondContact O-CA 3.46Å; C321-K325 PolarHBondContact O-N 3.06Å; L322-K325 VanDerWaalsContact O-CG 3.31Å; L322-K325 WeakPolarHBondContact O-CG 3.44Å; L322-K325 PolarHBondContact O-N 3.03Å; L322-K325 VanDerWaalsContact O-N 3.11Å; A323-K325 VanDerWaalsContact C-N 3.27Å; A323-K325 PolarHBondContact O-N 3.4Å
326	Q	96.4	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-111.9	99.1	-179.2	-61.9	-49	-70	0	0	108.5	N146 N147 I154 C321 F324 V328 C329	N146-Q326 WeakPolarHBondContact ND2-CB 3.29Å; N146-Q326 PolarHBondContact ND2-OE1 3.25Å; N147-Q326 PolarHBondContact O-NE2 3.1Å; I154-Q326 HydrophobicContact CD1-CG 3.66Å; C321-Q326 PolarHBondContact O-N 2.9Å; C321-Q326 VanDerWaalsContact O-N 3.17Å; C321-Q326 PolarHBondContact SG-O 3.13Å; F324-Q326 HydrophobicContact CB-CG 4.02Å; F324-Q326 WeakPolarHBondContact O-CG 3.47Å; F324-Q326 PolarHBondContact O-N 2.92Å; F324-Q326 PolarHBondContact O-NE2 3.36Å; Q326-V328 VanDerWaalsContact C-N 3.34Å; Q326-V328 PolarHBondContact O-N 3.38Å; Q326-C329 HydrophobicContact CB-CB 3.8Å
327	T	93.2	Very high	92.7	Very high	20 Å²	20	30.4 Å²	30.4	12%	0.123	15%	0.147	C	C	.	.	S	Bend	trans	-54.5	-51.4	176.9	-64.7	0	0	0	0	110.8	L145 N146 T274 V275 G276 L365 M368	L145-T327 HydrophobicContact CD1-CG2 4.07Å; L145-T327 HydrophobicContact CG-CG2 4.12Å; L145-T327 WeakPolarHBondContact O-CB 3.38Å; L145-T327 PolarHBondContact O-OG1 3.02Å; N146-T327 PolarHBondContact OD1-N 3.03Å; T274-T327 PolarHBondContact OG1-O 2.7Å; V275-T327 WeakPolarHBondContact CA-O 3.34Å; G276-T327 PolarHBondContact N-O 3.21Å; T327-L365 HydrophobicContact CG2-CD2 3.82Å; T327-M368 HydrophobicContact CG2-CE 3.66Å; T327-M368 HydrophobicContact CG2-SD 3.95Å
328	V	96.4	Very high	91.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.4	168.2	179.7	0	0	0	0	108	N146 Q326 F348 S349 F350 L365	N146-V328 PolarHBondContact ND2-O 2.66Å; N146-V328 PolarHBondContact OD1-N 2.77Å; Q326-V328 VanDerWaalsContact C-N 3.34Å; Q326-V328 PolarHBondContact O-N 3.38Å; V328-F348 HydrophobicContact CB-CD2 3.77Å; V328-F348 HydrophobicContact CB-CE2 3.72Å; V328-F348 HydrophobicContact CB-CG 4.43Å; V328-F348 HydrophobicContact CB-CZ 4.35Å; V328-F348 HydrophobicContact CG1-CD1 4.39Å; V328-F348 HydrophobicContact CG1-CD2 4Å; V328-F348 HydrophobicContact CG1-CE1 4.34Å; V328-F348 HydrophobicContact CG1-CE2 3.96Å; V328-F348 HydrophobicContact CG1-CG 4.22Å; V328-F348 HydrophobicContact CG1-CZ 4.13Å; V328-F348 HydrophobicContact CG2-CD2 4.47Å; V328-F348 HydrophobicContact CG2-CE2 3.95Å; V328-F348 HydrophobicContact CG2-CZ 4.45Å; V328-F348 WeakPolarHBondContact O-CA 3.42Å; V328-S349 WeakPolarHBondContact CG1-O 3.42Å; V328-F350 HydrophobicContact CB-CE1 4.48Å; V328-F350 HydrophobicContact CG1-CD1 3.72Å; V328-F350 HydrophobicContact CG1-CE1 3.63Å; V328-F350 HydrophobicContact CG2-CE1 4.05Å; V328-L365 HydrophobicContact CG2-CD1 4.21Å; V328-L365 HydrophobicContact CG2-CD2 4.23Å
329	C	97	Very high	91.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.9	-179.8	-158.7	0	0	0	0	112.2	Y273 T274 Q326 G347	Y273-C329 CarbonylContact C-O 3.53Å; Y273-C329 WeakPolarHBondContact CA-O 3.45Å; T274-C329 PolarHBondContact N-O 2.98Å; T274-C329 VanDerWaalsContact OG1-CB 3.23Å; T274-C329 WeakPolarHBondContact OG1-CB 3.36Å; T274-C329 PolarHBondContact OG1-N 3.12Å; T274-C329 PolarHBondContact OG1-O 3.44Å; Q326-C329 HydrophobicContact CB-CB 3.8Å; C329-G347 CarbonylContact C-O 3.56Å; C329-G347 WeakPolarHBondContact CA-O 3.47Å
330	G	96.9	Very high	91.7	Very high	3 Å²	3	32.4 Å²	32.4	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.7	166.3	0	0	0	0	0	111.4	V272 N346 G347	V272-G330 CarbonylContact O-C 3.42Å; V272-G330 VanDerWaalsContact O-CA 3.26Å; V272-G330 WeakPolarHBondContact O-CA 3.49Å; G330-N346 WeakPolarHBondContact O-CB 3.32Å; G330-N346 PolarHBondContact O-N 3.46Å; G330-G347 PolarHBondContact N-O 3.37Å
331	F	97.3	Very high	91.6	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	159.1	171.8	72.2	-87.3	0	0	0	111.9	V272 T274 I316 V320 L333 V342 D344 V345	V272-F331 HydrophobicContact CB-CD1 3.96Å; V272-F331 HydrophobicContact CB-CD2 4.38Å; V272-F331 HydrophobicContact CB-CE1 3.56Å; V272-F331 HydrophobicContact CB-CE2 4.03Å; V272-F331 HydrophobicContact CB-CG 4.35Å; V272-F331 HydrophobicContact CB-CZ 3.6Å; V272-F331 HydrophobicContact CG1-CD1 4.21Å; V272-F331 HydrophobicContact CG1-CE1 3.42Å; V272-F331 VanDerWaalsContact CG1-CE1 3.42Å; V272-F331 HydrophobicContact CG1-CE2 4.47Å; V272-F331 HydrophobicContact CG1-CZ 3.58Å; V272-F331 HydrophobicContact CG2-CE1 4.43Å; V272-F331 HydrophobicContact CG2-CE2 4.09Å; V272-F331 HydrophobicContact CG2-CZ 3.96Å; V272-F331 PolarHBondContact N-O 3.05Å; V272-F331 PolarHBondContact O-N 3.02Å; T274-F331 HydrophobicContact CG2-CE1 4.17Å; I316-F331 HydrophobicContact CG2-CE2 3.83Å; I316-F331 HydrophobicContact CG2-CZ 4.12Å; V320-F331 HydrophobicContact CB-CD1 4.3Å; V320-F331 HydrophobicContact CB-CE1 4.31Å; V320-F331 HydrophobicContact CG1-CB 4.34Å; V320-F331 HydrophobicContact CG1-CD1 3.81Å; V320-F331 HydrophobicContact CG1-CE1 4.3Å; V320-F331 HydrophobicContact CG1-CG 4.12Å; F331-L333 HydrophobicContact CE2-CD1 3.78Å; F331-L333 HydrophobicContact CE2-CG 4.05Å; F331-L333 HydrophobicContact CZ-CD1 4.38Å; F331-V342 HydrophobicContact CD2-CG1 4.18Å; F331-V342 HydrophobicContact CD2-CG2 4.07Å; F331-V342 HydrophobicContact CE2-CG2 4.05Å; F331-D344 CarbonylContact C-O 3.44Å; F331-D344 VanDerWaalsContact CA-O 3.32Å; F331-D344 WeakPolarHBondContact CA-O 3.28Å; F331-D344 WeakPolarHBondContact CB-O 3.42Å; F331-V345 HydrophobicContact CB-CB 4.45Å; F331-V345 HydrophobicContact CB-CG1 4.49Å; F331-V345 HydrophobicContact CB-CG2 4.11Å
332	D	96	Very high	91.8	Very high	20 Å²	20	33.5 Å²	33.5	11%	0.107	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142	-178.3	-71.6	-4.1	0	0	0	111.8	V270 K271 V342 C343 D344	V270-D332 WeakPolarHBondContact O-CA 3.33Å; K271-D332 WeakPolarHBondContact CG-OD1 3.4Å; K271-D332 IonicContact NZ-OD1 3.6Å; K271-D332 PolarHBondContact NZ-OD1 2.87Å; K271-D332 IonicContact NZ-OD2 2.67Å; K271-D332 PolarHBondContact NZ-OD2 3.29Å; D332-V342 WeakPolarHBondContact O-CA 3.41Å; D332-C343 PolarHBondContact O-N 3.38Å; D332-C343 VanDerWaalsContact O-N 3.07Å; D332-D344 HydrophobicContact CB-CB 3.99Å; D332-D344 PolarHBondContact N-O 2.71Å
333	L	93.9	Very high	91.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.3	-171.1	-128.9	173.3	0	0	0	110.3	V270 V272 E313 I316 F331 S340 Y341	V270-L333 HydrophobicContact CB-CB 4.04Å; V270-L333 WeakPolarHBondContact CB-O 3.11Å; V270-L333 HydrophobicContact CG1-CB 4.41Å; V270-L333 PolarHBondContact N-O 3.06Å; V270-L333 PolarHBondContact O-N 2.99Å; V272-L333 HydrophobicContact CG2-CB 4.41Å; V272-L333 HydrophobicContact CG2-CD1 4.1Å; E313-L333 HydrophobicContact CB-CD1 4.08Å; E313-L333 HydrophobicContact CG-CD1 3.92Å; I316-L333 HydrophobicContact CG2-CD1 4.47Å; F331-L333 HydrophobicContact CE2-CD1 3.78Å; F331-L333 HydrophobicContact CE2-CG 4.05Å; F331-L333 HydrophobicContact CZ-CD1 4.38Å; L333-S340 VanDerWaalsContact CD2-C 3.46Å; L333-Y341 CarbonylContact C-O 3.57Å; L333-Y341 WeakPolarHBondContact CA-O 3.34Å; L333-Y341 WeakPolarHBondContact CD2-O 3.33Å
334	L	91.9	Very high	91.9	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.099	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121	177.1	-56.9	-179.6	0	0	0	109.8	M263 T265 D269 S340 Y341 C343	M263-L334 HydrophobicContact CB-CB 4.39Å; M263-L334 HydrophobicContact CB-CD1 3.99Å; M263-L334 HydrophobicContact CG-CD1 4.1Å; T265-L334 HydrophobicContact CG2-CB 3.9Å; T265-L334 HydrophobicContact CG2-CD2 4.09Å; T265-L334 HydrophobicContact CG2-CG 4.49Å; D269-L334 HydrophobicContact CB-CD2 4.41Å; L334-S340 WeakPolarHBondContact O-CA 3.12Å; L334-Y341 PolarHBondContact N-O 2.99Å; L334-Y341 PolarHBondContact O-N 2.83Å; L334-C343 HydrophobicContact CD1-CB 3.76Å; L334-C343 HydrophobicContact CG-CB 3.99Å
335	R	88.3	Confident	91.9	Very high	55 Å²	55	30.7 Å²	30.7	21%	0.208	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.3	172	-72.4	176.6	172	174.5	-3.7	109.1	T265 V270 I308 E313 K339	T265-R335 WeakPolarHBondContact CA-O 3.4Å; T265-R335 WeakPolarHBondContact CB-O 3.36Å; T265-R335 WeakPolarHBondContact CG2-O 3.32Å; V270-R335 HydrophobicContact CG2-CG 4.44Å; I308-R335 PolarHBondContact O-NH2 2.88Å; E313-R335 WeakPolarHBondContact OE1-CG 3.44Å; E313-R335 IonicContact OE1-CZ 3.23Å; E313-R335 IonicContact OE1-NE 3.69Å; E313-R335 PolarHBondContact OE1-NE 2.98Å; E313-R335 IonicContact OE1-NH2 2.91Å; E313-R335 PolarHBondContact OE1-NH2 2.71Å; E313-R335 IonicContact OE2-CZ 2.71Å; E313-R335 IonicContact OE2-NE 3.49Å; E313-R335 IonicContact OE2-NH2 2.79Å; E313-R335 PolarHBondContact OE2-NH2 2.97Å; R335-K339 WeakPolarHBondContact CA-O 3.17Å
336	A	84.5	Confident	91.8	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.7	-177.7	0	0	0	0	0	110.6	M263 P264 G338 K339 Y341	M263-A336 HydrophobicContact CB-CB 4Å; M263-A336 HydrophobicContact CE-CB 3.98Å; P264-A336 WeakPolarHBondContact O-CB 3.18Å; A336-G338 PolarHBondContact O-N 3.21Å; A336-K339 PolarHBondContact N-O 3.04Å; A336-K339 PolarHBondContact O-N 3.45Å; A336-K339 VanDerWaalsContact O-O 3.07Å; A336-Y341 HydrophobicContact CB-CE2 4.3Å
337	N	78.8	Confident	91.6	Very high	131 Å²	131	28.8 Å²	28.8	70%	0.701	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	31.7	175.5	-57.1	-21.2	0	0	0	114.8	K339	N337-K339 PolarHBondContact O-N 3.02Å
338	G	73	Confident	91.7	Very high	89 Å²	89	29 Å²	29	92%	0.918	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	-1.5	-177.3	0	0	0	0	0	115.7	A336	A336-G338 PolarHBondContact O-N 3.21Å
339	K	83.8	Confident	91.6	Very high	96 Å²	96	30.5 Å²	30.5	42%	0.417	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	171.1	174.1	-83.5	-172.8	170.9	-166.9	0	111.5	E170 R335 A336 N337 Y341	E170-K339 VanDerWaalsContact OE1-CE 3.26Å; E170-K339 WeakPolarHBondContact OE1-CE 3.34Å; E170-K339 IonicContact OE1-NZ 3.7Å; E170-K339 PolarHBondContact OE1-NZ 3.49Å; E170-K339 IonicContact OE2-NZ 2.85Å; E170-K339 PolarHBondContact OE2-NZ 3.17Å; R335-K339 WeakPolarHBondContact CA-O 3.17Å; A336-K339 PolarHBondContact N-O 3.04Å; A336-K339 PolarHBondContact O-N 3.45Å; A336-K339 VanDerWaalsContact O-O 3.07Å; N337-K339 PolarHBondContact O-N 3.02Å; K339-Y341 HydrophobicContact CB-CD2 4.27Å; K339-Y341 HydrophobicContact CB-CE1 4.4Å; K339-Y341 HydrophobicContact CB-CE2 3.45Å; K339-Y341 VanDerWaalsContact CB-CE2 3.45Å; K339-Y341 HydrophobicContact CD-CE1 4.22Å; K339-Y341 WeakPolarHBondContact CD-OH 3.17Å
340	S	90.6	Very high	91.5	Very high	9 Å²	9	31.4 Å²	31.4	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113	-175.7	-65.3	0	0	0	0	109.1	N310 E313 I316 L333 L334	N310-S340 PolarHBondContact ND2-OG 3.48Å; E313-S340 VanDerWaalsContact CD-OG 3.3Å; E313-S340 WeakPolarHBondContact CG-OG 3.41Å; E313-S340 WeakPolarHBondContact OE1-CB 3.29Å; E313-S340 PolarHBondContact OE1-OG 3.17Å; I316-S340 WeakPolarHBondContact CD1-O 3.49Å; L333-S340 VanDerWaalsContact CD2-C 3.46Å; L334-S340 WeakPolarHBondContact O-CA 3.12Å
341	Y	94.6	Very high	91.2	Very high	29 Å²	29	31.3 Å²	31.3	11%	0.114	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.3	-170.5	-54.1	-97.4	0	0	0	112.3	E170 M263 L333 L334 A336 K339	E170-Y341 HydrophobicContact CB-CD1 3.91Å; E170-Y341 HydrophobicContact CB-CE1 4.37Å; E170-Y341 CarbonylContact O-C 3.37Å; E170-Y341 VanDerWaalsContact O-CA 3.29Å; E170-Y341 WeakPolarHBondContact O-CA 3.49Å; M263-Y341 HydrophobicContact CE-CD1 4.43Å; M263-Y341 HydrophobicContact CE-CD2 3.72Å; M263-Y341 HydrophobicContact CE-CE1 4.16Å; M263-Y341 HydrophobicContact CE-CE2 3.4Å; M263-Y341 HydrophobicContact CE-CG 4.23Å; L333-Y341 CarbonylContact C-O 3.57Å; L333-Y341 WeakPolarHBondContact CA-O 3.34Å; L333-Y341 WeakPolarHBondContact CD2-O 3.33Å; L334-Y341 PolarHBondContact N-O 2.99Å; L334-Y341 PolarHBondContact O-N 2.83Å; A336-Y341 HydrophobicContact CB-CE2 4.3Å; K339-Y341 HydrophobicContact CB-CD2 4.27Å; K339-Y341 HydrophobicContact CB-CE1 4.4Å; K339-Y341 HydrophobicContact CB-CE2 3.45Å; K339-Y341 VanDerWaalsContact CB-CE2 3.45Å; K339-Y341 HydrophobicContact CD-CE1 4.22Å; K339-Y341 WeakPolarHBondContact CD-OH 3.17Å
342	V	96.8	Very high	90.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134	173.9	179.7	0	0	0	0	110.2	L164 I169 E170 I171 P172 I316 F331 D332 V345	L164-V342 HydrophobicContact CD1-CB 4.22Å; L164-V342 HydrophobicContact CD1-CG1 3.75Å; L164-V342 HydrophobicContact CD2-CB 4.41Å; L164-V342 HydrophobicContact CD2-CG1 4.11Å; I169-V342 HydrophobicContact CG2-CB 4.18Å; I169-V342 HydrophobicContact CG2-CG2 3.64Å; E170-V342 PolarHBondContact O-N 2.97Å; I171-V342 HydrophobicContact CG2-CB 4.32Å; I171-V342 WeakPolarHBondContact CG2-O 3.36Å; P172-V342 WeakPolarHBondContact CD-O 3.41Å; I316-V342 HydrophobicContact CG2-CG2 3.33Å; F331-V342 HydrophobicContact CD2-CG1 4.18Å; F331-V342 HydrophobicContact CD2-CG2 4.07Å; F331-V342 HydrophobicContact CE2-CG2 4.05Å; D332-V342 WeakPolarHBondContact O-CA 3.41Å; V342-V345 HydrophobicContact CG1-CG2 3.95Å
343	C	94.4	Very high	90	Very high	12 Å²	12	38.7 Å²	38.7	8%	0.081	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-9.8	-177.2	71.4	0	0	0	0	115.2	Y161 P172 K210 D332 L334	Y161-C343 PolarHBondContact OH-O 2.77Å; P172-C343 HydrophobicContact CG-CB 4.48Å; K210-C343 PolarHBondContact NZ-O 3.29Å; D332-C343 PolarHBondContact O-N 3.38Å; D332-C343 VanDerWaalsContact O-N 3.07Å; L334-C343 HydrophobicContact CD1-CB 3.76Å; L334-C343 HydrophobicContact CG-CB 3.99Å
344	D	94.4	Very high	89.3	Confident	29 Å²	29	39.8 Å²	39.8	16%	0.155	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	141.5	176.1	-163.9	39.4	0	0	0	110.3	R157 F331 D332 N346	R157-D344 IonicContact CZ-OD1 3.66Å; R157-D344 IonicContact NH1-OD1 3.45Å; R157-D344 PolarHBondContact NH1-OD1 3.48Å; F331-D344 CarbonylContact C-O 3.44Å; F331-D344 VanDerWaalsContact CA-O 3.32Å; F331-D344 WeakPolarHBondContact CA-O 3.28Å; F331-D344 WeakPolarHBondContact CB-O 3.42Å; D332-D344 HydrophobicContact CB-CB 3.99Å; D332-D344 PolarHBondContact N-O 2.71Å; D344-N346 PolarHBondContact OD2-ND2 2.89Å
345	V	96.6	Very high	88.7	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.7	174.6	-179.2	0	0	0	0	108.1	V160 L164 V320 F324 F331 V342	V160-V345 HydrophobicContact CG1-CB 3.77Å; V160-V345 HydrophobicContact CG1-CG2 3.73Å; L164-V345 HydrophobicContact CD1-CG2 4.24Å; L164-V345 HydrophobicContact CD2-CG2 4.37Å; V320-V345 HydrophobicContact CG1-CG1 4.25Å; V320-V345 HydrophobicContact CG1-CG2 4.48Å; F324-V345 HydrophobicContact CD1-CG1 4.38Å; F324-V345 HydrophobicContact CD2-CG1 4.11Å; F324-V345 HydrophobicContact CE1-CG1 4.43Å; F324-V345 HydrophobicContact CE2-CG1 4.18Å; F324-V345 HydrophobicContact CE2-CG2 4.09Å; F324-V345 HydrophobicContact CG-CG1 4.22Å; F324-V345 HydrophobicContact CZ-CB 4.46Å; F324-V345 HydrophobicContact CZ-CG1 4.34Å; F324-V345 HydrophobicContact CZ-CG2 4.23Å; F331-V345 HydrophobicContact CB-CB 4.45Å; F331-V345 HydrophobicContact CB-CG1 4.49Å; F331-V345 HydrophobicContact CB-CG2 4.11Å; V342-V345 HydrophobicContact CG1-CG2 3.95Å
346	N	92.9	Very high	88	Confident	81 Å²	81	42.6 Å²	42.6	43%	0.433	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-8.5	-167.5	-79.6	-111.6	0	0	0	114.1	G330 D344	G330-N346 WeakPolarHBondContact O-CB 3.32Å; G330-N346 PolarHBondContact O-N 3.46Å; D344-N346 PolarHBondContact OD2-ND2 2.89Å
347	G	92.8	Very high	88	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	-141.8	-169.5	0	0	0	0	0	112.1	C329 G330 S349	C329-G347 CarbonylContact C-O 3.56Å; C329-G347 WeakPolarHBondContact CA-O 3.47Å; G330-G347 PolarHBondContact N-O 3.37Å; G347-S349 PolarHBondContact O-N 3.31Å; G347-S349 VanDerWaalsContact O-N 3.07Å
348	F	95.9	Very high	88.3	Confident	24 Å²	24	36.2 Å²	36.2	11%	0.105	21%	0.205	C	C	.	.	S	Bend	trans	-59.3	111.6	-170.4	-165.9	-77.3	0	0	0	113.6	M83 V121 F123 V328 F350	M83-F348 HydrophobicContact CE-CE1 4.03Å; M83-F348 HydrophobicContact CE-CZ 4.11Å; V121-F348 HydrophobicContact CG1-CE2 3.86Å; V121-F348 HydrophobicContact CG1-CZ 4.24Å; F123-F348 HydrophobicContact CB-CB 3.4Å; F123-F348 VanDerWaalsContact CB-CB 3.4Å; F123-F348 HydrophobicContact CB-CD1 4.43Å; F123-F348 HydrophobicContact CB-CD2 4.06Å; F123-F348 HydrophobicContact CB-CG 3.73Å; F123-F348 HydrophobicContact CD1-CB 4.16Å; F123-F348 AromaticContact CD1-CD1 3.59Å; F123-F348 HydrophobicContact CD1-CD1 3.59Å; F123-F348 AromaticContact CD1-CD2 3.55Å; F123-F348 HydrophobicContact CD1-CD2 3.55Å; F123-F348 AromaticContact CD1-CE1 3.78Å; F123-F348 HydrophobicContact CD1-CE1 3.78Å; F123-F348 AromaticContact CD1-CE2 3.73Å; F123-F348 HydrophobicContact CD1-CE2 3.73Å; F123-F348 AromaticContact CD1-CG 3.47Å; F123-F348 HydrophobicContact CD1-CG 3.47Å; F123-F348 VanDerWaalsContact CD1-CG 3.47Å; F123-F348 AromaticContact CD1-CZ 3.85Å; F123-F348 HydrophobicContact CD1-CZ 3.85Å; F123-F348 HydrophobicContact CD2-CB 3.91Å; F123-F348 AromaticContact CD2-CD1 3.69Å; F123-F348 HydrophobicContact CD2-CD1 3.69Å; F123-F348 HydrophobicContact CD2-CE1 4.43Å; F123-F348 AromaticContact CD2-CG 3.86Å; F123-F348 HydrophobicContact CD2-CG 3.86Å; F123-F348 AromaticContact CE1-CD1 3.63Å; F123-F348 HydrophobicContact CE1-CD1 3.63Å; F123-F348 HydrophobicContact CE1-CD2 4.18Å; F123-F348 AromaticContact CE1-CE1 3.42Å; F123-F348 HydrophobicContact CE1-CE1 3.42Å; F123-F348 VanDerWaalsContact CE1-CE1 3.42Å; F123-F348 AromaticContact CE1-CE2 3.98Å; F123-F348 HydrophobicContact CE1-CE2 3.98Å; F123-F348 HydrophobicContact CE1-CG 4.02Å; F123-F348 AromaticContact CE1-CZ 3.6Å; F123-F348 HydrophobicContact CE1-CZ 3.6Å; F123-F348 AromaticContact CE2-CD1 3.71Å; F123-F348 HydrophobicContact CE2-CD1 3.71Å; F123-F348 HydrophobicContact CE2-CE1 4.1Å; F123-F348 HydrophobicContact CE2-CG 4.34Å; F123-F348 HydrophobicContact CG-CB 3.56Å; F123-F348 AromaticContact CG-CD1 3.63Å; F123-F348 HydrophobicContact CG-CD1 3.63Å; F123-F348 AromaticContact CG-CD2 3.87Å; F123-F348 HydrophobicContact CG-CD2 3.87Å; F123-F348 HydrophobicContact CG-CE1 4.29Å; F123-F348 HydrophobicContact CG-CE2 4.49Å; F123-F348 AromaticContact CG-CG 3.4Å; F123-F348 HydrophobicContact CG-CG 3.4Å; F123-F348 AromaticContact CZ-CD1 3.68Å; F123-F348 HydrophobicContact CZ-CD1 3.68Å; F123-F348 AromaticContact CZ-CE1 3.59Å; F123-F348 HydrophobicContact CZ-CE1 3.59Å; F123-F348 HydrophobicContact CZ-CG 4.42Å; F123-F348 HydrophobicContact CZ-CZ 4.23Å; V328-F348 HydrophobicContact CB-CD2 3.77Å; V328-F348 HydrophobicContact CB-CE2 3.72Å; V328-F348 HydrophobicContact CB-CG 4.43Å; V328-F348 HydrophobicContact CB-CZ 4.35Å; V328-F348 HydrophobicContact CG1-CD1 4.39Å; V328-F348 HydrophobicContact CG1-CD2 4Å; V328-F348 HydrophobicContact CG1-CE1 4.34Å; V328-F348 HydrophobicContact CG1-CE2 3.96Å; V328-F348 HydrophobicContact CG1-CG 4.22Å; V328-F348 HydrophobicContact CG1-CZ 4.13Å; V328-F348 HydrophobicContact CG2-CD2 4.47Å; V328-F348 HydrophobicContact CG2-CE2 3.95Å; V328-F348 HydrophobicContact CG2-CZ 4.45Å; V328-F348 WeakPolarHBondContact O-CA 3.42Å; F348-F350 HydrophobicContact CE1-CD1 4.45Å; F348-F350 HydrophobicContact CE1-CD2 4.12Å; F348-F350 HydrophobicContact CE1-CE1 4.13Å; F348-F350 AromaticContact CE1-CE2 3.76Å; F348-F350 HydrophobicContact CE1-CE2 3.76Å; F348-F350 HydrophobicContact CE1-CG 4.46Å; F348-F350 AromaticContact CE1-CZ 3.78Å; F348-F350 HydrophobicContact CE1-CZ 3.78Å; F348-F350 AromaticContact CZ-CE1 3.86Å; F348-F350 HydrophobicContact CZ-CE1 3.86Å; F348-F350 AromaticContact CZ-CE2 3.85Å; F348-F350 HydrophobicContact CZ-CE2 3.85Å; F348-F350 AromaticContact CZ-CZ 3.43Å; F348-F350 HydrophobicContact CZ-CZ 3.43Å; F348-F350 VanDerWaalsContact CZ-CZ 3.43Å
349	S	94.4	Very high	88.6	Confident	33 Å²	33	35.2 Å²	35.2	23%	0.231	18%	0.179	C	C	.	.			trans	-149	135.4	-176.5	-162.7	0	0	0	0	111	Y273 V328 G347	Y273-S349 WeakPolarHBondContact CE1-OG 3.23Å; V328-S349 WeakPolarHBondContact CG1-O 3.42Å; G347-S349 PolarHBondContact O-N 3.31Å; G347-S349 VanDerWaalsContact O-N 3.07Å
350	F	94.3	Very high	88.3	Confident	18 Å²	18	31.6 Å²	31.6	8%	0.079	16%	0.164	C	C	.	.			trans	-110.2	145.4	174.9	-70.9	-37	0	0	0	111.3	P82 M83 I86 V328 F348 Y357	P82-F350 HydrophobicContact CB-CB 3.99Å; P82-F350 HydrophobicContact CB-CD2 4.2Å; M83-F350 HydrophobicContact CE-CE2 3.78Å; M83-F350 HydrophobicContact CE-CZ 4.5Å; M83-F350 HydrophobicContact SD-CE2 3.84Å; M83-F350 HydrophobicContact SD-CZ 4.5Å; I86-F350 HydrophobicContact CD1-CD1 3.78Å; I86-F350 HydrophobicContact CD1-CD2 3.75Å; I86-F350 HydrophobicContact CD1-CE1 3.7Å; I86-F350 HydrophobicContact CD1-CE2 3.67Å; I86-F350 HydrophobicContact CD1-CG 3.8Å; I86-F350 HydrophobicContact CD1-CZ 3.63Å; I86-F350 HydrophobicContact CG2-CZ 4.34Å; V328-F350 HydrophobicContact CB-CE1 4.48Å; V328-F350 HydrophobicContact CG1-CD1 3.72Å; V328-F350 HydrophobicContact CG1-CE1 3.63Å; V328-F350 HydrophobicContact CG2-CE1 4.05Å; F348-F350 HydrophobicContact CE1-CD1 4.45Å; F348-F350 HydrophobicContact CE1-CD2 4.12Å; F348-F350 HydrophobicContact CE1-CE1 4.13Å; F348-F350 AromaticContact CE1-CE2 3.76Å; F348-F350 HydrophobicContact CE1-CE2 3.76Å; F348-F350 HydrophobicContact CE1-CG 4.46Å; F348-F350 AromaticContact CE1-CZ 3.78Å; F348-F350 HydrophobicContact CE1-CZ 3.78Å; F348-F350 AromaticContact CZ-CE1 3.86Å; F348-F350 HydrophobicContact CZ-CE1 3.86Å; F348-F350 AromaticContact CZ-CE2 3.85Å; F348-F350 HydrophobicContact CZ-CE2 3.85Å; F348-F350 AromaticContact CZ-CZ 3.43Å; F348-F350 HydrophobicContact CZ-CZ 3.43Å; F348-F350 VanDerWaalsContact CZ-CZ 3.43Å; F350-Y357 HydrophobicContact CB-CE1 4.16Å; F350-Y357 HydrophobicContact CD1-CE1 4.09Å; F350-Y357 HydrophobicContact CG-CE1 4.46Å
351	V	89.6	Confident	88.1	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.161	C	C	.	.			trans	-59.9	153.7	164.3	-174.4	0	0	0	0	109.1	Y273 H281 Y357	Y273-V351 HydrophobicContact CD1-CG2 3.87Å; Y273-V351 HydrophobicContact CD2-CG2 3.66Å; Y273-V351 HydrophobicContact CE1-CG2 4.42Å; Y273-V351 HydrophobicContact CE2-CG2 4.26Å; Y273-V351 HydrophobicContact CG-CG2 3.45Å; Y273-V351 VanDerWaalsContact CG-CG2 3.45Å; H281-V351 HydrophobicContact CB-CG2 4.06Å; H281-V351 VanDerWaalsContact CD2-CG2 3.41Å; H281-V351 WeakPolarHBondContact CD2-CG2 3.36Å; V351-Y357 HydrophobicContact CB-CD1 3.55Å; V351-Y357 HydrophobicContact CB-CD2 4.05Å; V351-Y357 HydrophobicContact CB-CE1 3.79Å; V351-Y357 HydrophobicContact CB-CE2 4.27Å; V351-Y357 HydrophobicContact CB-CG 3.66Å; V351-Y357 HydrophobicContact CG1-CG 4.42Å; V351-Y357 HydrophobicContact CG2-CD1 3.93Å; V351-Y357 HydrophobicContact CG2-CD2 3.55Å; V351-Y357 HydrophobicContact CG2-CE1 3.93Å; V351-Y357 HydrophobicContact CG2-CE2 3.54Å; V351-Y357 HydrophobicContact CG2-CG 3.73Å
352	K	86.8	Confident	87.8	Confident	111 Å²	111	29.9 Å²	29.9	48%	0.483	16%	0.157	S	C	.	.	S	Bend	trans	-127.3	136.1	-177	-53.5	175.4	-173.8	168.8	0	110.4	P82 R304	P82-K352 HydrophobicContact CG-CB 4.4Å; P82-K352 HydrophobicContact CG-CG 3.9Å; R304-K352 VanDerWaalsContact CZ-O 3.27Å; R304-K352 PolarHBondContact NH1-O 3.17Å; R304-K352 PolarHBondContact NH2-O 3.06Å
353	N	81.4	Confident	87.1	Confident	66 Å²	66	34.5 Å²	34.5	35%	0.353	18%	0.177	S	C	.	.	S	Bend	trans	66.2	38.8	-179.1	-42.2	-16.3	0	0	0	112.9	Y358	N353-Y358 PolarHBondContact N-OH 3.46Å
354	S	80.3	Confident	86.4	Confident	23 Å²	23	35.4 Å²	35.4	16%	0.161	18%	0.18	C	C	.	.			trans	-134.1	102.6	169.4	-177.8	0	0	0	0	108.9	K356 Y357 Y358	S354-K356 VanDerWaalsContact C-N 3.27Å; S354-K356 PolarHBondContact O-N 2.95Å; S354-Y357 PolarHBondContact O-N 3Å; S354-Y357 VanDerWaalsContact O-N 3.16Å; S354-Y357 PolarHBondContact OG-N 3.41Å; S354-Y358 WeakPolarHBondContact O-CD2 3.42Å; S354-Y358 PolarHBondContact O-N 2.91Å
355	N	77.9	Confident	86	Confident	88 Å²	88	34.3 Å²	34.3	47%	0.471	18%	0.175	S	C	.	.	H	α-helix	trans	-59.5	-43	179.8	-68.6	-4.7	0	0	0	110.5	Y357 Y358 D359	N355-Y357 VanDerWaalsContact C-N 3.26Å; N355-Y357 PolarHBondContact O-N 3.46Å; N355-Y358 CarbonylContact O-C 3.58Å; N355-Y358 WeakPolarHBondContact O-CA 3.45Å; N355-Y358 WeakPolarHBondContact O-CB 3.15Å; N355-Y358 PolarHBondContact O-N 3.49Å; N355-D359 PolarHBondContact O-N 2.94Å; N355-D359 VanDerWaalsContact O-OD2 3.11Å
356	K	75.4	Confident	85.5	Confident	45 Å²	45	34.2 Å²	34.2	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-59.2	-32.1	177.3	-167.8	-104.3	-175.5	-75.4	0	113.4	S354 D359 D360	S354-K356 VanDerWaalsContact C-N 3.27Å; S354-K356 PolarHBondContact O-N 2.95Å; K356-D359 WeakPolarHBondContact CA-OD2 3.21Å; K356-D360 IonicContact NZ-OD1 3.73Å; K356-D360 PolarHBondContact NZ-OD1 3.41Å; K356-D360 IonicContact NZ-OD2 2.71Å; K356-D360 PolarHBondContact NZ-OD2 2.98Å; K356-D360 WeakPolarHBondContact O-CB 3.1Å; K356-D360 PolarHBondContact O-N 3.36Å
357	Y	83.1	Confident	85	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.2	-38	170.4	175.3	-93.9	0	0	0	112.2	I86 V275 Y279 H281 F350 V351 S354 N355 D359 C361	I86-Y357 HydrophobicContact CD1-CE1 4.2Å; V275-Y357 HydrophobicContact CG2-CE2 3.89Å; Y279-Y357 HydrophobicContact CE1-CD2 4.13Å; Y279-Y357 HydrophobicContact CE1-CE2 4.08Å; H281-Y357 HydrophobicContact CB-CD2 3.81Å; H281-Y357 HydrophobicContact CB-CE2 4.12Å; F350-Y357 HydrophobicContact CB-CE1 4.16Å; F350-Y357 HydrophobicContact CD1-CE1 4.09Å; F350-Y357 HydrophobicContact CG-CE1 4.46Å; V351-Y357 HydrophobicContact CB-CD1 3.55Å; V351-Y357 HydrophobicContact CB-CD2 4.05Å; V351-Y357 HydrophobicContact CB-CE1 3.79Å; V351-Y357 HydrophobicContact CB-CE2 4.27Å; V351-Y357 HydrophobicContact CB-CG 3.66Å; V351-Y357 HydrophobicContact CG1-CG 4.42Å; V351-Y357 HydrophobicContact CG2-CD1 3.93Å; V351-Y357 HydrophobicContact CG2-CD2 3.55Å; V351-Y357 HydrophobicContact CG2-CE1 3.93Å; V351-Y357 HydrophobicContact CG2-CE2 3.54Å; V351-Y357 HydrophobicContact CG2-CG 3.73Å; S354-Y357 PolarHBondContact O-N 3Å; S354-Y357 VanDerWaalsContact O-N 3.16Å; S354-Y357 PolarHBondContact OG-N 3.41Å; N355-Y357 VanDerWaalsContact C-N 3.26Å; N355-Y357 PolarHBondContact O-N 3.46Å; Y357-D359 VanDerWaalsContact C-N 3.34Å; Y357-C361 HydrophobicContact CD1-CB 4.4Å; Y357-C361 HydrophobicContact CE1-CB 4.14Å; Y357-C361 WeakPolarHBondContact O-CB 3.3Å; Y357-C361 PolarHBondContact O-N 2.94Å
358	Y	86.3	Confident	84.5	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-41.2	175.2	-50	-35.5	0	0	0	111.4	P82 E85 I86 R89 N353 S354 N355 A362	P82-Y358 HydrophobicContact CB-CE1 3.9Å; E85-Y358 HydrophobicContact CB-CD1 4.23Å; E85-Y358 HydrophobicContact CB-CD2 3.39Å; E85-Y358 HydrophobicContact CB-CE1 4.5Å; E85-Y358 HydrophobicContact CB-CE2 3.7Å; E85-Y358 HydrophobicContact CB-CG 3.69Å; E85-Y358 HydrophobicContact CG-CD2 3.72Å; E85-Y358 HydrophobicContact CG-CE2 3.56Å; E85-Y358 HydrophobicContact CG-CG 4.47Å; I86-Y358 HydrophobicContact CD1-CD1 4.07Å; I86-Y358 HydrophobicContact CG1-CD1 3.93Å; I86-Y358 HydrophobicContact CG1-CG 4.31Å; R89-Y358 WeakPolarHBondContact CD-O 3.18Å; N353-Y358 PolarHBondContact N-OH 3.46Å; S354-Y358 WeakPolarHBondContact O-CD2 3.42Å; S354-Y358 PolarHBondContact O-N 2.91Å; N355-Y358 CarbonylContact O-C 3.58Å; N355-Y358 WeakPolarHBondContact O-CA 3.45Å; N355-Y358 WeakPolarHBondContact O-CB 3.15Å; N355-Y358 PolarHBondContact O-N 3.49Å; Y358-A362 VanDerWaalsContact O-CB 3.31Å; Y358-A362 WeakPolarHBondContact O-CB 3.49Å; Y358-A362 PolarHBondContact O-N 3.33Å
359	D	79.3	Confident	84.1	Confident	68 Å²	68	33 Å²	33	36%	0.364	17%	0.167	S	C	.	.	H	α-helix	trans	-61	-52.3	175.1	-50.8	-32.6	0	0	0	110.8	R89 N355 K356 Y357 K363	R89-D359 IonicContact CZ-OD1 3.81Å; R89-D359 IonicContact NE-OD1 3.22Å; R89-D359 PolarHBondContact NE-OD1 3.35Å; R89-D359 IonicContact NH2-OD1 2.79Å; R89-D359 PolarHBondContact NH2-OD1 3.01Å; N355-D359 PolarHBondContact O-N 2.94Å; N355-D359 VanDerWaalsContact O-OD2 3.11Å; K356-D359 WeakPolarHBondContact CA-OD2 3.21Å; Y357-D359 VanDerWaalsContact C-N 3.34Å; D359-K363 VanDerWaalsContact O-CB 3.23Å; D359-K363 WeakPolarHBondContact O-CB 3.48Å; D359-K363 PolarHBondContact O-N 2.92Å
360	D	77.7	Confident	83.7	Confident	20 Å²	20	31.5 Å²	31.5	11%	0.107	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-50.9	176.3	-72	-16.1	0	0	0	111.7	Y279 K356 K363 I364	Y279-D360 HydrophobicContact CE2-CB 3.71Å; Y279-D360 VanDerWaalsContact CE2-OD2 3.26Å; Y279-D360 WeakPolarHBondContact CE2-OD2 3.43Å; Y279-D360 WeakPolarHBondContact OH-CB 3.46Å; Y279-D360 PolarHBondContact OH-OD2 3.18Å; K356-D360 IonicContact NZ-OD1 3.73Å; K356-D360 PolarHBondContact NZ-OD1 3.41Å; K356-D360 IonicContact NZ-OD2 2.71Å; K356-D360 PolarHBondContact NZ-OD2 2.98Å; K356-D360 WeakPolarHBondContact O-CB 3.1Å; K356-D360 PolarHBondContact O-N 3.36Å; D360-K363 PolarHBondContact O-N 3.31Å; D360-I364 HydrophobicContact CB-CD1 4.45Å; D360-I364 WeakPolarHBondContact O-CB 3.33Å; D360-I364 VanDerWaalsContact O-CG1 3.27Å; D360-I364 WeakPolarHBondContact O-CG1 3.49Å; D360-I364 PolarHBondContact O-N 2.79Å
361	C	85.8	Confident	83.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-46.2	-171.3	-175.6	0	0	0	0	111.6	I86 V275 Y357 K363 L365	I86-C361 HydrophobicContact CD1-CB 4.14Å; I86-C361 HydrophobicContact CG1-CB 4.41Å; V275-C361 HydrophobicContact CG1-CB 4.5Å; V275-C361 HydrophobicContact CG2-CB 4.06Å; Y357-C361 HydrophobicContact CD1-CB 4.4Å; Y357-C361 HydrophobicContact CE1-CB 4.14Å; Y357-C361 WeakPolarHBondContact O-CB 3.3Å; Y357-C361 PolarHBondContact O-N 2.94Å; C361-K363 VanDerWaalsContact C-N 3.28Å; C361-K363 PolarHBondContact O-N 2.72Å; C361-L365 WeakPolarHBondContact O-CB 3.4Å; C361-L365 WeakPolarHBondContact O-CG 3.29Å; C361-L365 PolarHBondContact O-N 3.25Å
362	A	88.1	Confident	82.9	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-40.5	176.4	0	0	0	0	0	111.2	I86 R89 L90 Y358 G366	I86-A362 HydrophobicContact CG2-CB 4.19Å; R89-A362 HydrophobicContact CB-CB 3.42Å; R89-A362 VanDerWaalsContact CB-CB 3.42Å; R89-A362 HydrophobicContact CG-CB 4.47Å; L90-A362 HydrophobicContact CB-CB 4.46Å; L90-A362 WeakPolarHBondContact CD1-O 3.38Å; Y358-A362 VanDerWaalsContact O-CB 3.31Å; Y358-A362 WeakPolarHBondContact O-CB 3.49Å; Y358-A362 PolarHBondContact O-N 3.33Å; A362-G366 PolarHBondContact O-N 3.02Å
363	K	80.9	Confident	83	Confident	98 Å²	98	35.9 Å²	35.9	43%	0.426	18%	0.175	S	C	.	.	H	α-helix	trans	-69.4	-42.8	-177.9	-167	163	-168.6	156	0	113.2	D359 D360 C361 N367	D359-K363 VanDerWaalsContact O-CB 3.23Å; D359-K363 WeakPolarHBondContact O-CB 3.48Å; D359-K363 PolarHBondContact O-N 2.92Å; D360-K363 PolarHBondContact O-N 3.31Å; C361-K363 VanDerWaalsContact C-N 3.28Å; C361-K363 PolarHBondContact O-N 2.72Å; K363-N367 WeakPolarHBondContact O-CB 3.48Å; K363-N367 VanDerWaalsContact O-CG 3.26Å; K363-N367 PolarHBondContact O-N 2.71Å
364	I	80	Confident	83.1	Confident	30 Å²	30	33.1 Å²	33.1	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-46.7	176.1	-66.3	163.5	0	0	0	110.1	V275 Y279 D360 N367 M368	V275-I364 HydrophobicContact CG1-CB 4.03Å; V275-I364 HydrophobicContact CG1-CG2 3.86Å; V275-I364 WeakPolarHBondContact O-CG2 3.41Å; Y279-I364 HydrophobicContact CD1-CD1 4.32Å; Y279-I364 HydrophobicContact CD2-CD1 3.35Å; Y279-I364 HydrophobicContact CE2-CD1 3.87Å; Y279-I364 HydrophobicContact CG-CD1 3.61Å; D360-I364 HydrophobicContact CB-CD1 4.45Å; D360-I364 WeakPolarHBondContact O-CB 3.33Å; D360-I364 VanDerWaalsContact O-CG1 3.27Å; D360-I364 WeakPolarHBondContact O-CG1 3.49Å; D360-I364 PolarHBondContact O-N 2.79Å; I364-N367 PolarHBondContact O-N 3.44Å; I364-M368 HydrophobicContact CG2-CG 4.35Å; I364-M368 HydrophobicContact CG2-SD 3.95Å; I364-M368 WeakPolarHBondContact O-CB 3.48Å; I364-M368 WeakPolarHBondContact O-CG 3.45Å; I364-M368 PolarHBondContact O-N 3.02Å
365	L	87.3	Confident	83.2	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-44.9	178.7	-68.8	-179.7	0	0	0	112.2	L145 V275 T327 V328 C361 N367 M368 I369	L145-L365 HydrophobicContact CD1-CD2 4.02Å; L145-L365 HydrophobicContact CD2-CD1 4.46Å; L145-L365 HydrophobicContact CD2-CD2 3.71Å; L145-L365 HydrophobicContact CG-CD2 4.37Å; V275-L365 HydrophobicContact CG1-CD2 3.85Å; V275-L365 HydrophobicContact CG1-CG 3.85Å; T327-L365 HydrophobicContact CG2-CD2 3.82Å; V328-L365 HydrophobicContact CG2-CD1 4.21Å; V328-L365 HydrophobicContact CG2-CD2 4.23Å; C361-L365 WeakPolarHBondContact O-CB 3.4Å; C361-L365 WeakPolarHBondContact O-CG 3.29Å; C361-L365 PolarHBondContact O-N 3.25Å; L365-N367 PolarHBondContact O-N 3.46Å; L365-M368 PolarHBondContact O-N 2.93Å; L365-I369 WeakPolarHBondContact O-CB 3.06Å; L365-I369 WeakPolarHBondContact O-CD1 3.34Å; L365-I369 WeakPolarHBondContact O-CG1 3.49Å; L365-I369 PolarHBondContact O-N 3.03Å
366	G	86.4	Confident	83.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-46.1	175.4	0	0	0	0	0	112.4	A362 M368 I369 L370	A362-G366 PolarHBondContact O-N 3.02Å; G366-M368 PolarHBondContact O-N 3.43Å; G366-I369 PolarHBondContact O-N 3.4Å; G366-L370 WeakPolarHBondContact O-CB 3.39Å; G366-L370 VanDerWaalsContact O-CG 3.31Å; G366-L370 WeakPolarHBondContact O-CG 3.48Å; G366-L370 PolarHBondContact O-N 3.33Å
367	N	81.3	Confident	83.9	Confident	27 Å²	27	36.6 Å²	36.6	14%	0.144	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-37.3	176.5	-76.1	-7.7	0	0	0	113.2	K363 I364 L365 R371	K363-N367 WeakPolarHBondContact O-CB 3.48Å; K363-N367 VanDerWaalsContact O-CG 3.26Å; K363-N367 PolarHBondContact O-N 2.71Å; I364-N367 PolarHBondContact O-N 3.44Å; L365-N367 PolarHBondContact O-N 3.46Å; N367-R371 WeakPolarHBondContact O-CB 3.39Å; N367-R371 PolarHBondContact O-N 3.48Å
368	M	82.9	Confident	83.8	Confident	55 Å²	55	43.7 Å²	43.7	27%	0.271	22%	0.22	S	C	.	.	H	α-helix	trans	-66.4	-49.4	175.6	-74.8	178.4	66.3	0	0	111.3	T327 I364 L365 G366 L370 R371 E372	T327-M368 HydrophobicContact CG2-CE 3.66Å; T327-M368 HydrophobicContact CG2-SD 3.95Å; I364-M368 HydrophobicContact CG2-CG 4.35Å; I364-M368 HydrophobicContact CG2-SD 3.95Å; I364-M368 WeakPolarHBondContact O-CB 3.48Å; I364-M368 WeakPolarHBondContact O-CG 3.45Å; I364-M368 PolarHBondContact O-N 3.02Å; L365-M368 PolarHBondContact O-N 2.93Å; G366-M368 PolarHBondContact O-N 3.43Å; M368-L370 PolarHBondContact O-N 2.79Å; M368-R371 PolarHBondContact O-N 3.49Å; M368-E372 PolarHBondContact O-N 3.38Å; M368-E372 VanDerWaalsContact O-N 3.17Å
369	I	87.8	Confident	83.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-45.8	-179.2	-69.2	168.6	0	0	0	110.7	V67 V69 C119 F143 L145 L365 G366 L373	V67-I369 HydrophobicContact CG1-CG2 3.89Å; V69-I369 HydrophobicContact CG1-CD1 4.2Å; V69-I369 HydrophobicContact CG2-CD1 4.13Å; V69-I369 HydrophobicContact CG2-CG2 3.98Å; C119-I369 HydrophobicContact CB-CG2 4.07Å; F143-I369 HydrophobicContact CE1-CG1 4.37Å; L145-I369 HydrophobicContact CD1-CG1 4.31Å; L365-I369 WeakPolarHBondContact O-CB 3.06Å; L365-I369 WeakPolarHBondContact O-CD1 3.34Å; L365-I369 WeakPolarHBondContact O-CG1 3.49Å; L365-I369 PolarHBondContact O-N 3.03Å; G366-I369 PolarHBondContact O-N 3.4Å; I369-L373 HydrophobicContact CG2-CD1 4.22Å; I369-L373 WeakPolarHBondContact O-CB 3.44Å; I369-L373 PolarHBondContact O-N 3.26Å
370	L	85.7	Confident	83.4	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-69	-38	178.8	-68.7	172.2	0	0	0	112.2	V67 F93 F95 I96 G366 M368 E372 T374 W381	V67-L370 HydrophobicContact CG2-CD2 3.77Å; F93-L370 HydrophobicContact CD1-CD1 3.63Å; F93-L370 HydrophobicContact CE1-CD1 4.16Å; F95-L370 HydrophobicContact CB-CD2 3.73Å; I96-L370 HydrophobicContact CD1-CD1 4.14Å; I96-L370 HydrophobicContact CD1-CD2 4.48Å; I96-L370 HydrophobicContact CD1-CG 4.08Å; I96-L370 HydrophobicContact CG1-CD1 4.2Å; I96-L370 HydrophobicContact CG1-CD2 3.95Å; I96-L370 HydrophobicContact CG1-CG 4.09Å; G366-L370 WeakPolarHBondContact O-CB 3.39Å; G366-L370 VanDerWaalsContact O-CG 3.31Å; G366-L370 WeakPolarHBondContact O-CG 3.48Å; G366-L370 PolarHBondContact O-N 3.33Å; M368-L370 PolarHBondContact O-N 2.79Å; L370-E372 VanDerWaalsContact C-N 3.32Å; L370-E372 PolarHBondContact O-N 3.32Å; L370-T374 HydrophobicContact CB-CG2 3.96Å; L370-T374 HydrophobicContact CD2-CG2 3.66Å; L370-T374 HydrophobicContact CG-CG2 4.42Å; L370-T374 VanDerWaalsContact O-CB 3.23Å; L370-T374 WeakPolarHBondContact O-CB 3.48Å; L370-T374 WeakPolarHBondContact O-CG2 3.17Å; L370-T374 PolarHBondContact O-N 3.44Å; L370-T374 PolarHBondContact O-OG1 3.35Å; L370-W381 HydrophobicContact CB-CD2 4.03Å; L370-W381 HydrophobicContact CB-CE3 4.14Å; L370-W381 HydrophobicContact CB-CH2 3.94Å; L370-W381 HydrophobicContact CB-CZ2 3.82Å; L370-W381 HydrophobicContact CB-CZ3 4.11Å; L370-W381 HydrophobicContact CD1-CZ2 4.03Å
371	R	83.2	Confident	83.2	Confident	96 Å²	96	47.4 Å²	47.4	36%	0.362	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-39.5	177.2	-175.5	-179.7	-62.5	-168.8	-0.5	112.6	N367 M368 P375 W381	N367-R371 WeakPolarHBondContact O-CB 3.39Å; N367-R371 PolarHBondContact O-N 3.48Å; M368-R371 PolarHBondContact O-N 3.49Å; R371-P375 WeakPolarHBondContact O-CD 3.48Å; R371-W381 HydrophobicContact CB-CZ3 4.24Å
372	E	84.5	Confident	82	Confident	110 Å²	110	52.3 Å²	52.3	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-77.4	-42.1	-179.9	-163.1	71.6	-171.8	0	0	112.4	F143 M368 L370 T376	F143-E372 HydrophobicContact CD2-CG 3.86Å; F143-E372 HydrophobicContact CE1-CB 4.45Å; F143-E372 HydrophobicContact CE2-CB 4.44Å; F143-E372 HydrophobicContact CE2-CG 3.82Å; F143-E372 HydrophobicContact CG-CG 4.29Å; F143-E372 HydrophobicContact CZ-CB 4.34Å; F143-E372 HydrophobicContact CZ-CG 4.22Å; M368-E372 PolarHBondContact O-N 3.38Å; M368-E372 VanDerWaalsContact O-N 3.17Å; L370-E372 VanDerWaalsContact C-N 3.32Å; L370-E372 PolarHBondContact O-N 3.32Å; E372-T376 PolarHBondContact O-OG1 3.04Å
373	L	87.6	Confident	80.5	Confident	16 Å²	16	56.1 Å²	56.1	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-98.7	-23.8	-168.3	-67.4	175.3	0	0	0	115.1	V67 D118 C119 F143 I369 T376 L377	V67-L373 HydrophobicContact CG1-CB 4.09Å; V67-L373 HydrophobicContact CG1-CD1 3.47Å; V67-L373 VanDerWaalsContact CG1-CD1 3.47Å; V67-L373 HydrophobicContact CG1-CG 4.44Å; V67-L373 HydrophobicContact CG2-CB 4.36Å; D118-L373 HydrophobicContact CB-CD1 3.96Å; C119-L373 HydrophobicContact CB-CD1 3.82Å; F143-L373 HydrophobicContact CB-CD1 4.08Å; F143-L373 HydrophobicContact CB-CD2 4.06Å; F143-L373 HydrophobicContact CB-CG 4.29Å; F143-L373 HydrophobicContact CD1-CD1 4.46Å; I369-L373 HydrophobicContact CG2-CD1 4.22Å; I369-L373 WeakPolarHBondContact O-CB 3.44Å; I369-L373 PolarHBondContact O-N 3.26Å; L373-T376 PolarHBondContact O-N 3.47Å; L373-L377 HydrophobicContact CB-CD1 4.06Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 3.28Å
374	T	84.4	Confident	79.2	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.043	30%	0.298	C	S	.	.	H	α-helix	trans	-65.4	-36	179.5	59	0	0	0	0	114.4	L370 H378 I379 W381	L370-T374 HydrophobicContact CB-CG2 3.96Å; L370-T374 HydrophobicContact CD2-CG2 3.66Å; L370-T374 HydrophobicContact CG-CG2 4.42Å; L370-T374 VanDerWaalsContact O-CB 3.23Å; L370-T374 WeakPolarHBondContact O-CB 3.48Å; L370-T374 WeakPolarHBondContact O-CG2 3.17Å; L370-T374 PolarHBondContact O-N 3.44Å; L370-T374 PolarHBondContact O-OG1 3.35Å; T374-H378 PolarHBondContact O-N 3.05Å; T374-H378 VanDerWaalsContact O-N 3.13Å; T374-I379 HydrophobicContact CG2-CB 3.96Å; T374-I379 HydrophobicContact CG2-CD1 4.22Å; T374-I379 HydrophobicContact CG2-CG2 4.06Å; T374-I379 PolarHBondContact O-N 2.68Å; T374-W381 HydrophobicContact CG2-CB 3.62Å; T374-W381 HydrophobicContact CG2-CD2 4.35Å; T374-W381 HydrophobicContact CG2-CE3 4.47Å; T374-W381 HydrophobicContact CG2-CG 4.05Å
375	P	81.5	Confident	77.4	Confident	86 Å²	86	60.7 Å²	60.7	56%	0.558	33%	0.326	S	S	*	.	H	α-helix	trans	-64.7	-48.3	172	-18.3	32.5	0	0	0	111	R371 L377 H378	R371-P375 WeakPolarHBondContact O-CD 3.48Å; P375-L377 PolarHBondContact O-N 2.9Å; P375-H378 PolarHBondContact O-N 3.35Å; P375-H378 VanDerWaalsContact O-N 3.15Å; P375-H378 PolarHBondContact O-ND1 3.1Å
376	T	82.9	Confident	75.5	Confident	98 Å²	98	61.7 Å²	61.7	60%	0.601	33%	0.33	S	S	*	.	H	α-helix	trans	-59.4	-46.8	-178.5	-53.4	0	0	0	0	112.2	E372 L373 H378	E372-T376 PolarHBondContact O-OG1 3.04Å; L373-T376 PolarHBondContact O-N 3.47Å; T376-H378 VanDerWaalsContact C-N 3.27Å; T376-H378 PolarHBondContact O-N 3.21Å; T376-H378 PolarHBondContact O-ND1 2.96Å
377	L	84.6	Confident	73.5	Confident	46 Å²	46	65.7 Å²	65.7	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-81.6	-3.5	-179.3	-63.7	171.1	0	0	0	113.5	K65 V67 D118 L373 P375 I379	K65-L377 WeakPolarHBondContact CD-O 3.35Å; K65-L377 PolarHBondContact NZ-O 2.76Å; V67-L377 HydrophobicContact CB-CD1 4.44Å; V67-L377 HydrophobicContact CG1-CD1 4.34Å; V67-L377 HydrophobicContact CG2-CD1 3.91Å; D118-L377 HydrophobicContact CB-CD1 4.26Å; L373-L377 HydrophobicContact CB-CD1 4.06Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 3.28Å; P375-L377 PolarHBondContact O-N 2.9Å; L377-I379 HydrophobicContact CB-CD1 3.88Å; L377-I379 HydrophobicContact CB-CG1 3.94Å; L377-I379 HydrophobicContact CD1-CD1 4.11Å
378	H	82.4	Confident	71.6	Confident	149 Å²	149	65.8 Å²	65.8	69%	0.69	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	53.5	-175.4	-57.1	53.9	0	0	0	111.3	T374 P375 T376	T374-H378 PolarHBondContact O-N 3.05Å; T374-H378 VanDerWaalsContact O-N 3.13Å; P375-H378 PolarHBondContact O-N 3.35Å; P375-H378 VanDerWaalsContact O-N 3.15Å; P375-H378 PolarHBondContact O-ND1 3.1Å; T376-H378 VanDerWaalsContact C-N 3.27Å; T376-H378 PolarHBondContact O-N 3.21Å; T376-H378 PolarHBondContact O-ND1 2.96Å
379	I	82.2	Confident	69.6	Low	12 Å²	12	63.7 Å²	63.7	6%	0.062	34%	0.342	C	S	.	.			trans	-97.9	128.3	173.5	-61.6	171.3	0	0	0	107.2	K65 V67 F95 T374 L377 W381	K65-I379 HydrophobicContact CB-CD1 4.27Å; K65-I379 HydrophobicContact CB-CG1 3.78Å; K65-I379 HydrophobicContact CD-CG1 4.4Å; K65-I379 WeakPolarHBondContact O-CD1 3.2Å; V67-I379 HydrophobicContact CG2-CD1 3.58Å; F95-I379 HydrophobicContact CD1-CG2 3.52Å; F95-I379 HydrophobicContact CE1-CG2 3.93Å; F95-I379 HydrophobicContact CG-CG2 4.09Å; T374-I379 HydrophobicContact CG2-CB 3.96Å; T374-I379 HydrophobicContact CG2-CD1 4.22Å; T374-I379 HydrophobicContact CG2-CG2 4.06Å; T374-I379 PolarHBondContact O-N 2.68Å; L377-I379 HydrophobicContact CB-CD1 3.88Å; L377-I379 HydrophobicContact CB-CG1 3.94Å; L377-I379 HydrophobicContact CD1-CD1 4.11Å; I379-W381 HydrophobicContact CG2-CB 4.39Å; I379-W381 PolarHBondContact O-N 3.11Å
380	P	74	Confident	67.5	Low	120 Å²	120	63.9 Å²	63.9	78%	0.779	34%	0.343	S	S	*	.			trans	-77.3	57.6	-178.4	33.8	-36.9	0	0	0	112	S382	P380-S382 PolarHBondContact O-N 2.96Å
381	W	73.3	Confident	65.4	Low	35 Å²	35	65.9 Å²	65.9	13%	0.133	36%	0.356	C	S	.	.			trans	-83.4	104.9	175.4	-173.1	69	0	0	0	109.5	F95 L370 R371 T374 I379 V383 P384	F95-W381 AromaticContact CD2-CD1 3.74Å; L370-W381 HydrophobicContact CB-CD2 4.03Å; L370-W381 HydrophobicContact CB-CE3 4.14Å; L370-W381 HydrophobicContact CB-CH2 3.94Å; L370-W381 HydrophobicContact CB-CZ2 3.82Å; L370-W381 HydrophobicContact CB-CZ3 4.11Å; L370-W381 HydrophobicContact CD1-CZ2 4.03Å; R371-W381 HydrophobicContact CB-CZ3 4.24Å; T374-W381 HydrophobicContact CG2-CB 3.62Å; T374-W381 HydrophobicContact CG2-CD2 4.35Å; T374-W381 HydrophobicContact CG2-CE3 4.47Å; T374-W381 HydrophobicContact CG2-CG 4.05Å; I379-W381 HydrophobicContact CG2-CB 4.39Å; I379-W381 PolarHBondContact O-N 3.11Å; W381-V383 HydrophobicContact CE3-CG2 4.13Å; W381-V383 HydrophobicContact CH2-CG1 4.47Å; W381-V383 HydrophobicContact CZ3-CB 4.29Å; W381-V383 HydrophobicContact CZ3-CG1 4.3Å; W381-V383 HydrophobicContact CZ3-CG2 3.92Å; W381-V383 PolarHBondContact O-N 2.66Å; W381-P384 HydrophobicContact CZ2-CG 3.92Å
382	S	60.9	Low	63.7	Low	102 Å²	102	64.4 Å²	64.4	71%	0.713	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-64.9	120.6	163.7	47.8	0	0	0	0	108.2	P380 P384	P380-S382 PolarHBondContact O-N 2.96Å; S382-P384 WeakPolarHBondContact O-CD 3.29Å
383	V	56.8	Low	61.9	Low	83 Å²	83	60.3 Å²	60.3	50%	0.503	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-55.5	116.4	174.7	-176.7	0	0	0	0	107.2	W381 F385	W381-V383 HydrophobicContact CE3-CG2 4.13Å; W381-V383 HydrophobicContact CH2-CG1 4.47Å; W381-V383 HydrophobicContact CZ3-CB 4.29Å; W381-V383 HydrophobicContact CZ3-CG1 4.3Å; W381-V383 HydrophobicContact CZ3-CG2 3.92Å; W381-V383 PolarHBondContact O-N 2.66Å; V383-F385 PolarHBondContact O-N 2.76Å
384	P	53.7	Low	59.7	Low	56 Å²	56	62.1 Å²	62.1	36%	0.364	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-58.1	130.6	-177.8	-25.4	34.7	0	0	0	108.9	W381 S382 Q386	W381-P384 HydrophobicContact CZ2-CG 3.92Å; S382-P384 WeakPolarHBondContact O-CD 3.29Å; P384-Q386 WeakPolarHBondContact O-CA 3.34Å; P384-Q386 PolarHBondContact O-N 2.93Å
385	F	42.1	Very low	58.2	Low	168 Å²	168	62 Å²	62	74%	0.737	35%	0.349	S	S	*	.			trans	-43.6	115.9	177.5	-173.9	-78	0	0	0	108.3	V383 L387	V383-F385 PolarHBondContact O-N 2.76Å; F385-L387 PolarHBondContact O-N 3.01Å
386	Q	48.3	Very low	56.4	Low	28 Å²	28	59.7 Å²	59.7	13%	0.131	33%	0.333	C	S	.	.			trans	-54.3	109.2	-154.1	-87.1	-162.8	22.3	0	0	110.1	P384 D388 D389 V842	P384-Q386 WeakPolarHBondContact O-CA 3.34Å; P384-Q386 PolarHBondContact O-N 2.93Å; Q386-D388 PolarHBondContact O-N 3.35Å; Q386-D388 VanDerWaalsContact O-N 3.11Å; Q386-D389 WeakPolarHBondContact O-CB 3.37Å; Q386-D389 PolarHBondContact O-N 3.14Å; Q386-V842 VanDerWaalsContact CD-CG2 3.48Å; Q386-V842 HydrophobicContact CG-CG2 4.46Å; Q386-V842 VanDerWaalsContact NE2-CG2 3.28Å
387	L	42.9	Very low	54.6	Low	83 Å²	83	60.3 Å²	60.3	44%	0.435	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.5	173.1	-99.2	143.7	0	0	0	109.5	F385 D389 R580	F385-L387 PolarHBondContact O-N 3.01Å; L387-D389 PolarHBondContact O-N 3.08Å; L387-R580 PolarHBondContact O-NE 3.21Å; L387-R580 PolarHBondContact O-NH1 3Å; L387-R580 PolarHBondContact O-NH2 3.45Å
388	D	42.7	Very low	52.8	Low	30 Å²	30	60.4 Å²	60.4	16%	0.16	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.9	177.1	-51.4	-59.4	0	0	0	114.2	Q386 R586	Q386-D388 PolarHBondContact O-N 3.35Å; Q386-D388 VanDerWaalsContact O-N 3.11Å; D388-R586 VanDerWaalsContact O-CZ 3.25Å; D388-R586 PolarHBondContact O-NE 3.17Å; D388-R586 PolarHBondContact O-NH1 2.94Å
389	D	40.2	Very low	51.5	Low	11 Å²	11	58.1 Å²	58.1	6%	0.059	33%	0.328	C	S	.	.	S	Bend	trans	-63.3	134.1	172	-71.6	-5	0	0	0	109.6	Q386 L387 R580 R586 V842	Q386-D389 WeakPolarHBondContact O-CB 3.37Å; Q386-D389 PolarHBondContact O-N 3.14Å; L387-D389 PolarHBondContact O-N 3.08Å; D389-R580 PolarHBondContact O-NH2 3.37Å; D389-R586 IonicContact OD1-CZ 3.76Å; D389-R586 IonicContact OD1-NH1 2.6Å; D389-R586 PolarHBondContact OD1-NH1 3.3Å; D389-R586 IonicContact OD1-NH2 3.85Å; D389-V842 WeakPolarHBondContact OD1-CG1 3.21Å
390	P	43.4	Very low	50.4	Low	4 Å²	4	62.8 Å²	62.8	3%	0.026	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-59.5	125.4	162.9	-3.4	15.1	0	0	0	106.1	I392 L581 R847 V849	P390-I392 PolarHBondContact O-N 3.5Å; P390-L581 HydrophobicContact CB-CD1 4.3Å; P390-L581 HydrophobicContact CB-CD2 3.98Å; P390-L581 HydrophobicContact CG-CD2 3.72Å; P390-R847 HydrophobicContact CG-CG 4.16Å; P390-R847 PolarHBondContact O-NH1 2.64Å; P390-R847 PolarHBondContact O-NH2 3.43Å; P390-V849 HydrophobicContact CB-CG2 4.44Å; P390-V849 HydrophobicContact CG-CG2 4.33Å
391	P	42.4	Very low	50.1	Low	43 Å²	43	57.5 Å²	57.5	28%	0.279	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-61.8	139.9	-175.9	27.7	-37.3	0	0	0	109.7	V393 P562	P391-V393 PolarHBondContact O-N 2.92Å; P391-P562 WeakPolarHBondContact CD-O 3.42Å; P391-P562 HydrophobicContact CG-CB 3.58Å; P391-P562 HydrophobicContact CG-CG 3.77Å
392	I	46.1	Very low	49.9	Very low	65 Å²	65	56.4 Å²	56.4	33%	0.333	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-62.9	126.7	165.8	-48.6	172.7	0	0	0	105.9	P390 M400	P390-I392 PolarHBondContact O-N 3.5Å; I392-M400 HydrophobicContact CB-CE 4.04Å; I392-M400 HydrophobicContact CG2-CB 3.74Å; I392-M400 HydrophobicContact CG2-CE 4.14Å; I392-M400 WeakPolarHBondContact O-CE 3.18Å
393	V	46.9	Very low	50.6	Low	24 Å²	24	51.8 Å²	51.8	15%	0.145	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.7	-173.6	-89.6	0	0	0	0	111.2	P391 T395 M400 M401 P562 Y906	P391-V393 PolarHBondContact O-N 2.92Å; V393-T395 PolarHBondContact O-N 2.87Å; V393-T395 VanDerWaalsContact O-N 3.11Å; V393-M400 WeakPolarHBondContact O-CA 3.45Å; V393-M401 WeakPolarHBondContact CG2-O 3.32Å; V393-M401 PolarHBondContact N-O 2.76Å; V393-M401 PolarHBondContact O-N 3.41Å; V393-P562 HydrophobicContact CG1-CB 3.33Å; V393-P562 HydrophobicContact CG1-CG 3.47Å; V393-P562 VanDerWaalsContact CG1-CG 3.47Å; V393-P562 HydrophobicContact CG2-CG 4.42Å; V393-Y906 HydrophobicContact CG2-CD1 4.13Å; V393-Y906 HydrophobicContact CG2-CE1 3.83Å
394	P	42.3	Very low	51.6	Low	55 Å²	55	49.5 Å²	49.5	36%	0.357	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	117	165.4	27.8	-30.9	0	0	0	107	M400 R944	P394-M400 HydrophobicContact CB-SD 4.03Å; P394-M400 VanDerWaalsContact CD-SD 3.6Å; P394-M400 HydrophobicContact CG-SD 4.31Å; P394-M400 VanDerWaalsContact N-SD 3.38Å; P394-R944 VanDerWaalsContact O-CZ 3.25Å; P394-R944 PolarHBondContact O-NH1 3.23Å; P394-R944 PolarHBondContact O-NH2 2.78Å
395	T	51.8	Low	52.9	Low	3 Å²	3	46.8 Å²	46.8	2%	0.018	25%	0.245	C	C	.	.			trans	-59.1	176	168.3	56	0	0	0	0	110.6	V393 F397 G398 K399 M401 Y906 H920 R944	V393-T395 PolarHBondContact O-N 2.87Å; V393-T395 VanDerWaalsContact O-N 3.11Å; T395-F397 PolarHBondContact O-N 3.22Å; T395-G398 PolarHBondContact O-N 2.86Å; T395-K399 WeakPolarHBondContact CB-O 3.37Å; T395-K399 WeakPolarHBondContact CG2-O 3.45Å; T395-K399 PolarHBondContact N-O 3.07Å; T395-K399 PolarHBondContact OG1-N 2.72Å; T395-K399 PolarHBondContact OG1-O 3.37Å; T395-M401 HydrophobicContact CG2-CB 3.75Å; T395-M401 HydrophobicContact CG2-CG 3.82Å; T395-M401 HydrophobicContact CG2-SD 3.63Å; T395-Y906 HydrophobicContact CG2-CD1 4.44Å; T395-Y906 HydrophobicContact CG2-CG 4.34Å; T395-H920 VanDerWaalsContact CG2-CD2 3.48Å; T395-H920 WeakPolarHBondContact CG2-CD2 3.41Å; T395-R944 PolarHBondContact O-NH1 2.91Å; T395-R944 PolarHBondContact O-NH2 3.31Å
396	T	43.9	Very low	55	Low	38 Å²	38	38.9 Å²	38.9	23%	0.233	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-14.2	176.2	42.9	0	0	0	0	114.5	E922 F1125	T396-E922 VanDerWaalsContact CB-OE1 3.31Å; T396-E922 WeakPolarHBondContact CB-OE1 3.39Å; T396-E922 WeakPolarHBondContact CG2-OE1 3.36Å; T396-E922 PolarHBondContact N-OE1 2.83Å; T396-E922 PolarHBondContact OG1-OE1 3.3Å; T396-F1125 HydrophobicContact CG2-CD1 3.36Å; T396-F1125 HydrophobicContact CG2-CE1 3.33Å; T396-F1125 HydrophobicContact CG2-CG 4.3Å; T396-F1125 HydrophobicContact CG2-CZ 4.26Å
397	F	44.9	Very low	56.9	Low	112 Å²	112	37.6 Å²	37.6	49%	0.491	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	16.4	174.5	-64.6	-95.4	0	0	0	113.3	T395 K399 L1127	T395-F397 PolarHBondContact O-N 3.22Å; F397-K399 PolarHBondContact O-N 2.81Å; F397-L1127 HydrophobicContact CD2-CD1 3.57Å; F397-L1127 HydrophobicContact CE2-CB 3.94Å; F397-L1127 HydrophobicContact CE2-CD1 3.33Å; F397-L1127 HydrophobicContact CE2-CG 4.25Å; F397-L1127 HydrophobicContact CG-CD1 4.29Å; F397-L1127 HydrophobicContact CZ-CB 4.24Å; F397-L1127 HydrophobicContact CZ-CD1 3.84Å
398	G	47.2	Very low	59.2	Low	48 Å²	48	33.6 Å²	33.6	50%	0.495	18%	0.183	S	C	.	.	S	Bend	trans	75.6	-22.6	178.6	0	0	0	0	0	115.4	T395 M400	T395-G398 PolarHBondContact O-N 2.86Å; G398-M400 PolarHBondContact O-N 2.71Å
399	K	55.9	Low	61.6	Low	101 Å²	101	32.3 Å²	32.3	44%	0.439	18%	0.176	S	C	.	.			trans	-54.5	124.8	173.7	-72.9	-169.8	175.7	-171.9	0	110.4	T395 F397 M401 E917	T395-K399 WeakPolarHBondContact CB-O 3.37Å; T395-K399 WeakPolarHBondContact CG2-O 3.45Å; T395-K399 PolarHBondContact N-O 3.07Å; T395-K399 PolarHBondContact OG1-N 2.72Å; T395-K399 PolarHBondContact OG1-O 3.37Å; F397-K399 PolarHBondContact O-N 2.81Å; K399-M401 HydrophobicContact CB-CG 4.48Å; K399-M401 PolarHBondContact O-N 3.31Å; K399-E917 IonicContact NZ-OE1 3.22Å; K399-E917 PolarHBondContact NZ-OE1 3.49Å; K399-E917 IonicContact NZ-OE2 3.5Å
400	M	59.2	Low	64.1	Low	110 Å²	110	31.8 Å²	31.8	54%	0.542	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.3	178.8	-72	-73.3	-81	0	0	109.8	I392 V393 P394 G398	I392-M400 HydrophobicContact CB-CE 4.04Å; I392-M400 HydrophobicContact CG2-CB 3.74Å; I392-M400 HydrophobicContact CG2-CE 4.14Å; I392-M400 WeakPolarHBondContact O-CE 3.18Å; V393-M400 WeakPolarHBondContact O-CA 3.45Å; P394-M400 HydrophobicContact CB-SD 4.03Å; P394-M400 VanDerWaalsContact CD-SD 3.6Å; P394-M400 HydrophobicContact CG-SD 4.31Å; P394-M400 VanDerWaalsContact N-SD 3.38Å; G398-M400 PolarHBondContact O-N 2.71Å
401	M	66.9	Low	66.5	Low	8 Å²	8	31.9 Å²	31.9	4%	0.039	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	164.7	-178.1	-60.7	178.8	72.5	0	0	111.5	V393 T395 K399 D908 H920	V393-M401 WeakPolarHBondContact CG2-O 3.32Å; V393-M401 PolarHBondContact N-O 2.76Å; V393-M401 PolarHBondContact O-N 3.41Å; T395-M401 HydrophobicContact CG2-CB 3.75Å; T395-M401 HydrophobicContact CG2-CG 3.82Å; T395-M401 HydrophobicContact CG2-SD 3.63Å; K399-M401 HydrophobicContact CB-CG 4.48Å; K399-M401 PolarHBondContact O-N 3.31Å; M401-D908 HydrophobicContact CE-CB 3.83Å; M401-D908 HydrophobicContact CG-CB 4.23Å; M401-H920 HydrophobicContact CE-CB 3.67Å; M401-H920 HydrophobicContact SD-CB 3.79Å
402	E	70.3	Confident	68.9	Low	12 Å²	12	30 Å²	30	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.2	-179.6	-56.8	-157.2	144.6	0	0	112.1	R404 S844 R847 Y906 E907 P909	E402-R404 PolarHBondContact O-N 2.95Å; E402-S844 WeakPolarHBondContact OE1-CB 3.43Å; E402-S844 PolarHBondContact OE1-OG 2.74Å; E402-R847 IonicContact OE1-CZ 3.9Å; E402-R847 IonicContact OE1-NE 3.85Å; E402-R847 PolarHBondContact OE1-NE 3.07Å; E402-R847 IonicContact OE1-NH1 2.84Å; E402-R847 PolarHBondContact OE1-NH1 2.74Å; E402-R847 IonicContact OE1-NH2 2.76Å; E402-R847 WeakPolarHBondContact OE2-CD 3Å; E402-R847 IonicContact OE2-CZ 2.81Å; E402-R847 IonicContact OE2-NE 3.72Å; E402-R847 PolarHBondContact OE2-NE 2.92Å; E402-Y906 CarbonylContact O-C 3.58Å; E402-Y906 WeakPolarHBondContact O-CA 3.46Å; E402-E907 PolarHBondContact N-O 3.34Å; E402-E907 PolarHBondContact O-N 3.17Å; E402-P909 HydrophobicContact CG-CG 4.41Å
403	L	75.4	Confident	71	Confident	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.3	169.2	-179.6	64.1	0	0	0	110.5	V406 Y561 V849 M904 Y906	L403-V406 HydrophobicContact CD1-CG2 3.93Å; L403-V406 HydrophobicContact CD2-CG2 3.89Å; L403-V406 HydrophobicContact CG-CG2 4.26Å; L403-Y561 HydrophobicContact CD2-CD1 4.24Å; L403-V849 HydrophobicContact CD2-CG1 4.41Å; L403-V849 HydrophobicContact CG-CG1 4.35Å; L403-M904 HydrophobicContact CD1-CB 4.2Å; L403-M904 HydrophobicContact CD1-CE 3.7Å; L403-M904 HydrophobicContact CD2-CE 3.97Å; L403-Y906 HydrophobicContact CB-CD1 4.09Å; L403-Y906 HydrophobicContact CB-CE1 4.18Å; L403-Y906 HydrophobicContact CD1-CD1 4.12Å; L403-Y906 HydrophobicContact CD1-CE1 3.92Å
404	R	76.5	Confident	73.1	Confident	35 Å²	35	25.8 Å²	25.8	13%	0.132	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-42.3	-178.4	-63.5	-74	-94.1	161.7	-12.5	113.1	E402 N822 V849 R850 L905 E907	E402-R404 PolarHBondContact O-N 2.95Å; R404-N822 PolarHBondContact NH2-O 3.19Å; R404-V849 WeakPolarHBondContact O-CA 3.25Å; R404-R850 PolarHBondContact O-N 3.46Å; R404-L905 HydrophobicContact CB-CG 4.43Å; R404-L905 PolarHBondContact N-O 3.17Å; R404-E907 HydrophobicContact CG-CB 3.62Å; R404-E907 IonicContact CZ-OE2 3.76Å; R404-E907 VanDerWaalsContact CZ-OE2 3.3Å; R404-E907 IonicContact NE-OE2 2.99Å; R404-E907 PolarHBondContact NE-OE2 3.02Å; R404-E907 IonicContact NH2-OE2 3.09Å; R404-E907 PolarHBondContact NH2-OE2 3.49Å
405	C	81.4	Confident	75.4	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.6	178.6	-170.4	0	0	0	0	112.9	L819 R850 M904 L905	C405-L819 HydrophobicContact CB-CD2 4.3Å; C405-R850 CarbonylContact C-O 3.57Å; C405-R850 VanDerWaalsContact CA-O 3.29Å; C405-R850 WeakPolarHBondContact CA-O 3.41Å; C405-R850 HydrophobicContact CB-CB 4.22Å; C405-M904 CarbonylContact O-C 3.53Å; C405-M904 WeakPolarHBondContact O-CA 3.26Å; C405-L905 HydrophobicContact CB-CB 4.07Å; C405-L905 HydrophobicContact CB-CD2 4.33Å; C405-L905 PolarHBondContact N-O 2.8Å; C405-L905 PolarHBondContact O-N 3.13Å
406	V	85.5	Confident	77	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	108.5	169.2	-177.6	0	0	0	0	109	L403 Y561 R850 T851 R852 V902 I903 M904	L403-V406 HydrophobicContact CD1-CG2 3.93Å; L403-V406 HydrophobicContact CD2-CG2 3.89Å; L403-V406 HydrophobicContact CG-CG2 4.26Å; V406-Y561 HydrophobicContact CB-CE1 4.21Å; V406-Y561 WeakPolarHBondContact CB-OH 3.35Å; V406-Y561 WeakPolarHBondContact CG1-OH 3.18Å; V406-Y561 HydrophobicContact CG2-CE1 3.69Å; V406-R850 PolarHBondContact N-O 2.8Å; V406-T851 CarbonylContact O-C 3.53Å; V406-T851 VanDerWaalsContact O-CA 3.28Å; V406-T851 WeakPolarHBondContact O-CA 3.46Å; V406-R852 PolarHBondContact O-N 3.14Å; V406-V902 HydrophobicContact CG1-CG1 3.9Å; V406-I903 WeakPolarHBondContact CA-O 3.36Å; V406-M904 HydrophobicContact CG1-CG 4.33Å; V406-M904 HydrophobicContact CG2-CE 4.16Å; V406-M904 HydrophobicContact CG2-CG 4.23Å
407	V	89.1	Confident	78.9	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.5	171	-175.2	0	0	0	0	108.4	I815 L819 R852 Y854 V902 I903	V407-I815 HydrophobicContact CG1-CD1 4.31Å; V407-I815 HydrophobicContact CG1-CG1 4.02Å; V407-I815 HydrophobicContact CG1-CG2 4.29Å; V407-L819 HydrophobicContact CG2-CD2 4.05Å; V407-L819 HydrophobicContact CG2-CG 4.42Å; V407-R852 CarbonylContact C-O 3.55Å; V407-R852 WeakPolarHBondContact CA-O 3.49Å; V407-R852 HydrophobicContact CG1-CB 4.33Å; V407-R852 HydrophobicContact CG2-CB 4.27Å; V407-Y854 HydrophobicContact CG1-CD2 4.1Å; V407-Y854 HydrophobicContact CG1-CE2 3.93Å; V407-V902 CarbonylContact O-C 3.54Å; V407-V902 VanDerWaalsContact O-CA 3.31Å; V407-V902 WeakPolarHBondContact O-CA 3.48Å; V407-V902 WeakPolarHBondContact O-CG1 3.2Å; V407-I903 HydrophobicContact CB-CB 4.17Å; V407-I903 HydrophobicContact CB-CG1 4.47Å; V407-I903 PolarHBondContact N-O 3.01Å; V407-I903 PolarHBondContact O-N 3.22Å
408	A	91.3	Very high	80.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.1	172.2	0	0	0	0	0	112.1	I410 F557 R852 L853 Y854 I901 V902	A408-I410 HydrophobicContact CB-CD1 4.09Å; A408-I410 HydrophobicContact CB-CG1 4.15Å; A408-F557 HydrophobicContact CB-CE1 3.73Å; A408-F557 HydrophobicContact CB-CZ 3.98Å; A408-R852 PolarHBondContact N-O 2.63Å; A408-L853 HydrophobicContact CB-CD2 3.78Å; A408-L853 CarbonylContact O-C 3.53Å; A408-Y854 PolarHBondContact O-N 3.43Å; A408-I901 CarbonylContact C-O 3.52Å; A408-I901 VanDerWaalsContact CA-O 3.29Å; A408-I901 WeakPolarHBondContact CA-O 3.35Å; A408-V902 HydrophobicContact CB-CG1 4.32Å; A408-V902 HydrophobicContact CB-CG2 4.03Å
409	V	92.8	Very high	82.3	Confident	2 Å²	2	21.8 Å²	21.8	1%	0.012	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	172.6	-174.8	0	0	0	0	107.8	L811 I815 Y854 T856 L864 Q900 I901	V409-L811 HydrophobicContact CG1-CD2 4.23Å; V409-L811 HydrophobicContact CG2-CD2 4.3Å; V409-I815 HydrophobicContact CG2-CD1 4.02Å; V409-Y854 CarbonylContact C-O 3.57Å; V409-Y854 WeakPolarHBondContact CA-O 3.33Å; V409-Y854 HydrophobicContact CG2-CD2 4.39Å; V409-T856 HydrophobicContact CG1-CG2 3.8Å; V409-L864 HydrophobicContact CB-CD2 3.97Å; V409-L864 HydrophobicContact CG1-CD2 4.16Å; V409-L864 HydrophobicContact CG2-CD2 3.65Å; V409-Q900 VanDerWaalsContact O-CA 3.32Å; V409-Q900 WeakPolarHBondContact O-CA 3.18Å; V409-I901 PolarHBondContact N-O 2.98Å; V409-I901 PolarHBondContact O-N 3.02Å
410	I	93.9	Very high	83.6	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.3	-163.2	-53.6	176.7	0	0	0	110.1	A408 L553 F557 F606 Y854 F855 T856 M898 S899 Q900	A408-I410 HydrophobicContact CB-CD1 4.09Å; A408-I410 HydrophobicContact CB-CG1 4.15Å; I410-L553 HydrophobicContact CG2-CD2 4.2Å; I410-F557 HydrophobicContact CD1-CE1 4.31Å; I410-F557 HydrophobicContact CD1-CE2 4.44Å; I410-F557 HydrophobicContact CD1-CZ 3.91Å; I410-F606 HydrophobicContact CD1-CD2 4.36Å; I410-F606 HydrophobicContact CD1-CE2 3.69Å; I410-F606 HydrophobicContact CD1-CZ 3.81Å; I410-Y854 PolarHBondContact N-O 3.25Å; I410-F855 HydrophobicContact CB-CD1 3.95Å; I410-F855 HydrophobicContact CB-CE1 3.83Å; I410-F855 HydrophobicContact CB-CZ 4.4Å; I410-F855 HydrophobicContact CD1-CE1 3.92Å; I410-F855 HydrophobicContact CD1-CE2 4.42Å; I410-F855 HydrophobicContact CD1-CZ 3.7Å; I410-F855 HydrophobicContact CG1-CE1 4.44Å; I410-F855 HydrophobicContact CG2-CD1 4.03Å; I410-F855 HydrophobicContact CG2-CE1 3.7Å; I410-F855 WeakPolarHBondContact O-CA 3.5Å; I410-T856 PolarHBondContact O-N 3.06Å; I410-M898 HydrophobicContact CG2-CE 3.82Å; I410-S899 CarbonylContact C-O 3.46Å; I410-S899 WeakPolarHBondContact CA-O 3.37Å; I410-Q900 HydrophobicContact CG1-CB 4.03Å
411	R	93.3	Very high	84.7	Confident	6 Å²	6	15.9 Å²	15.9	2%	0.023	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.9	172.5	-167.8	-177.4	-180	-151	-2.4	109.7	E858 V861 L895 N896 M898 S899	R411-E858 IonicContact CZ-OE2 3.2Å; R411-E858 VanDerWaalsContact CZ-OE2 3.27Å; R411-E858 IonicContact NE-OE2 3.79Å; R411-E858 IonicContact NH2-OE2 2.91Å; R411-E858 PolarHBondContact NH2-OE2 2.62Å; R411-V861 HydrophobicContact CB-CG2 4.19Å; R411-L895 PolarHBondContact NH1-O 3.12Å; R411-N896 WeakPolarHBondContact CD-O 3.42Å; R411-M898 WeakPolarHBondContact O-CA 3.41Å; R411-S899 PolarHBondContact N-O 3.35Å
412	H	92.4	Very high	85.6	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.019	10%	0.095	C	C	.	.			trans	-56.4	159.2	170.6	63.8	70.2	0	0	0	113.5	R598 V599 T602 T856 Y897 M898	H412-R598 HydrophobicContact CB-CG 4.5Å; H412-R598 PolarHBondContact CD2-NE 3.46Å; H412-R598 VanDerWaalsContact CD2-NE 3.26Å; H412-R598 PolarHBondContact CD2-NH2 3.35Å; H412-R598 PolarHBondContact CE1-NE 2.67Å; H412-R598 VanDerWaalsContact CE1-NE 3.31Å; H412-R598 PolarHBondContact NE2-NE 3.41Å; H412-R598 PolarHBondContact NE2-NH2 2.79Å; H412-R598 VanDerWaalsContact NE2-NH2 3.11Å; H412-V599 HydrophobicContact CB-CG2 4.11Å; H412-T602 WeakPolarHBondContact CB-OG1 3.49Å; H412-T856 PolarHBondContact N-O 2.99Å; H412-T856 VanDerWaalsContact N-O 3.09Å; H412-Y897 AromaticContact CE1-CE1 3.94Å; H412-M898 PolarHBondContact O-N 3.01Å
413	G	90.6	Very high	86.3	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.096	C	C	.	.			trans	-72.5	-178.3	174.7	0	0	0	0	0	113.8	T602 Y897 M898	G413-T602 PolarHBondContact N-OG1 2.92Å; G413-T602 VanDerWaalsContact N-OG1 3.11Å; G413-Y897 WeakPolarHBondContact O-CD1 3.44Å; G413-M898 WeakPolarHBondContact CA-SD 3.4Å
414	D	90.6	Very high	86.7	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.106	C	C	.	.			trans	-54.5	141.2	177.7	175.3	51.7	0	0	0	113.8	L542 T543 Q763 H764 Y897	D414-L542 WeakPolarHBondContact O-CD1 3.48Å; D414-T543 PolarHBondContact O-N 3.16Å; D414-T543 PolarHBondContact O-OG1 3Å; D414-T543 WeakPolarHBondContact OD2-CB 3.29Å; D414-T543 WeakPolarHBondContact OD2-CG2 3.42Å; D414-T543 PolarHBondContact OD2-OG1 2.95Å; D414-Q763 VanDerWaalsContact CG-NE2 3.34Å; D414-Q763 PolarHBondContact OD2-NE2 2.8Å; D414-Q763 VanDerWaalsContact OD2-NE2 3.12Å; D414-H764 IonicContact OD1-NE2 3.81Å; D414-H764 IonicContact OD2-CE1 3.22Å; D414-H764 PolarHBondContact OD2-CE1 2.91Å; D414-H764 IonicContact OD2-NE2 3.94Å; D414-H764 PolarHBondContact OD2-NE2 3.24Å; D414-Y897 HydrophobicContact CB-CD2 3.79Å; D414-Y897 HydrophobicContact CB-CE2 3.86Å; D414-Y897 HydrophobicContact CB-CG 4.32Å; D414-Y897 WeakPolarHBondContact OD1-CE2 3.46Å
415	R	89.5	Confident	87.3	Confident	18 Å²	18	22 Å²	22	7%	0.068	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-150	148.4	-170.2	58.9	88.4	-177	109	-0.1	113	E541 D756 Y897	R415-E541 CarbonylContact C-O 3.54Å; R415-E541 WeakPolarHBondContact CA-O 3.5Å; R415-E541 VanDerWaalsContact CB-O 3.27Å; R415-E541 WeakPolarHBondContact CB-O 3.22Å; R415-D756 IonicContact CZ-OD1 2.72Å; R415-D756 IonicContact CZ-OD2 2.68Å; R415-D756 VanDerWaalsContact NH1-CG 3.28Å; R415-D756 IonicContact NH1-OD1 3.3Å; R415-D756 PolarHBondContact NH1-OD1 2.79Å; R415-D756 IonicContact NH1-OD2 3.2Å; R415-D756 PolarHBondContact NH1-OD2 2.8Å; R415-D756 IonicContact NH2-OD1 3.01Å; R415-D756 PolarHBondContact NH2-OD1 3.38Å; R415-D756 IonicContact NH2-OD2 2.94Å; R415-D756 PolarHBondContact NH2-OD2 2.83Å; R415-Y897 HydrophobicContact CG-CE1 3.91Å; R415-Y897 PolarHBondContact NH1-OH 2.88Å; R415-Y897 PolarHBondContact O-OH 2.71Å
416	T	86.2	Confident	87.5	Confident	9 Å²	9	25.8 Å²	25.8	6%	0.055	11%	0.114	C	C	.	.			trans	-61	144.4	175.3	59	0	0	0	0	111.5	K418 G540 E541 T543 Y760	T416-K418 PolarHBondContact O-N 2.97Å; T416-G540 WeakPolarHBondContact O-CA 3.3Å; T416-G540 PolarHBondContact O-N 2.88Å; T416-G540 PolarHBondContact OG1-N 2.94Å; T416-E541 PolarHBondContact N-O 2.84Å; T416-E541 PolarHBondContact OG1-N 3.37Å; T416-T543 HydrophobicContact CG2-CG2 4.11Å; T416-Y760 HydrophobicContact CG2-CE2 4.06Å
417	P	84	Confident	87.6	Confident	8 Å²	8	27.9 Å²	27.9	5%	0.052	12%	0.123	C	C	.	.			trans	-56	137.5	179.1	-28	35.7	0	0	0	112.8	Q419 Y760	P417-Q419 PolarHBondContact O-N 3.45Å; P417-Y760 VanDerWaalsContact CD-CG 3.47Å; P417-Y760 HydrophobicContact CG-CD1 3.86Å; P417-Y760 HydrophobicContact CG-CD2 4.24Å; P417-Y760 HydrophobicContact CG-CG 3.68Å
418	K	83.4	Confident	87.5	Confident	105 Å²	105	31.7 Å²	31.7	46%	0.457	15%	0.148	S	C	.	.			trans	-89.8	94.8	-171.5	-165.9	177.2	-164.3	166.4	0	111.1	T416 E596	T416-K418 PolarHBondContact O-N 2.97Å; K418-E596 IonicContact NZ-OE1 3.46Å; K418-E596 PolarHBondContact NZ-OE1 3.17Å
419	Q	79.1	Confident	87.4	Confident	32 Å²	32	35 Å²	35	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	152.3	-174.3	-61.6	-168	56	0	0	113.1	P417 K537 W538	P417-Q419 PolarHBondContact O-N 3.45Å; Q419-K537 WeakPolarHBondContact O-CA 3.25Å; Q419-W538 HydrophobicContact CB-CD2 3.68Å; Q419-W538 HydrophobicContact CB-CE3 4.13Å; Q419-W538 HydrophobicContact CB-CG 4.23Å; Q419-W538 HydrophobicContact CB-CH2 4.04Å; Q419-W538 HydrophobicContact CB-CZ2 3.55Å; Q419-W538 HydrophobicContact CB-CZ3 4.31Å; Q419-W538 HydrophobicContact CG-CZ2 4.26Å; Q419-W538 PolarHBondContact N-O 3.14Å; Q419-W538 PolarHBondContact O-N 3.42Å; Q419-W538 VanDerWaalsContact OE1-CZ2 3.22Å
420	K	84.6	Confident	87.3	Confident	82 Å²	82	34.9 Å²	34.9	36%	0.357	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	123	-177.6	65.3	-152.9	175.8	-133	0	109.7	K537 K734 D753	K420-K537 HydrophobicContact CB-CG 4.31Å; K420-K734 VanDerWaalsContact O-CE 3.24Å; K420-K734 WeakPolarHBondContact O-CE 3.48Å; K420-D753 IonicContact NZ-OD1 3.82Å; K420-D753 PolarHBondContact NZ-OD1 3.06Å; K420-D753 IonicContact NZ-OD2 2.66Å; K420-D753 PolarHBondContact NZ-OD2 3.04Å
421	M	82.4	Confident	87.2	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.4	164.8	73.3	-167	-72.6	0	0	109.8	K481 Q484 L485 I535 L536 W538	M421-K481 WeakPolarHBondContact CE-O 3.16Å; M421-Q484 HydrophobicContact CE-CB 3.99Å; M421-Q484 HydrophobicContact CE-CG 3.86Å; M421-Q484 HydrophobicContact SD-CG 4.01Å; M421-L485 HydrophobicContact CE-CB 4.32Å; M421-I535 WeakPolarHBondContact O-CA 3.43Å; M421-L536 HydrophobicContact CG-CB 3.77Å; M421-L536 HydrophobicContact CG-CD2 4.43Å; M421-L536 PolarHBondContact N-O 2.94Å; M421-L536 PolarHBondContact O-N 2.99Å; M421-L536 HydrophobicContact SD-CB 3.97Å; M421-L536 HydrophobicContact SD-CD2 3.6Å; M421-L536 HydrophobicContact SD-CG 4.3Å; M421-W538 HydrophobicContact CB-CH2 4.13Å; M421-W538 HydrophobicContact CB-CZ3 3.96Å; M421-W538 HydrophobicContact CG-CH2 4.37Å; M421-W538 HydrophobicContact CG-CZ3 3.85Å; M421-W538 HydrophobicContact SD-CH2 4.27Å; M421-W538 HydrophobicContact SD-CZ3 4.01Å
422	K	84.6	Confident	87.1	Confident	129 Å²	129	41.1 Å²	41.1	56%	0.561	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124	134.3	165.6	-60.3	178.9	-175	171.2	0	106.6	V533 L534 I535	K422-V533 HydrophobicContact CB-CG1 4.46Å; K422-L534 WeakPolarHBondContact CA-O 3.5Å; K422-I535 HydrophobicContact CG-CG1 4.33Å; K422-I535 HydrophobicContact CG-CG2 4.44Å
423	V	85.4	Confident	87	Confident	12 Å²	12	41.4 Å²	41.4	7%	0.073	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.5	169.3	60	0	0	0	0	107.7	V425 K481 L534	V423-V425 HydrophobicContact CG1-CG1 4.03Å; V423-V425 HydrophobicContact CG2-CG1 4.21Å; V423-K481 HydrophobicContact CB-CB 4.38Å; V423-K481 HydrophobicContact CG2-CB 3.84Å; V423-K481 HydrophobicContact CG2-CG 4.27Å; V423-L534 HydrophobicContact CG1-CB 3.96Å; V423-L534 HydrophobicContact CG1-CD2 3.97Å; V423-L534 HydrophobicContact CG1-CG 4.48Å; V423-L534 PolarHBondContact N-O 3.08Å; V423-L534 PolarHBondContact O-N 2.97Å
424	E	84.2	Confident	87.1	Confident	48 Å²	48	41.4 Å²	41.4	22%	0.224	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.2	170.5	-174.7	162.8	-177.7	0	0	107.3	R511 S531 L532	E424-R511 WeakPolarHBondContact OE1-CB 3.14Å; E424-R511 PolarHBondContact OE1-N 3.05Å; E424-R511 WeakPolarHBondContact OE2-CB 3.34Å; E424-R511 WeakPolarHBondContact OE2-CD 3.45Å; E424-R511 IonicContact OE2-NH1 2.75Å; E424-S531 VanDerWaalsContact OE1-CB 3.25Å; E424-S531 WeakPolarHBondContact OE1-CB 3.49Å; E424-S531 PolarHBondContact OE1-OG 2.73Å; E424-L532 WeakPolarHBondContact CA-O 3.43Å
425	V	88.1	Confident	87.1	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.4	-178	-56.3	0	0	0	0	109.5	V423 F430 E477 L532 L534	V423-V425 HydrophobicContact CG1-CG1 4.03Å; V423-V425 HydrophobicContact CG2-CG1 4.21Å; V425-F430 HydrophobicContact CB-CD2 3.56Å; V425-F430 HydrophobicContact CB-CE2 3.84Å; V425-F430 HydrophobicContact CB-CG 4.16Å; V425-F430 HydrophobicContact CG1-CD2 4.09Å; V425-F430 HydrophobicContact CG1-CE2 3.87Å; V425-F430 HydrophobicContact CG1-CZ 4.31Å; V425-F430 HydrophobicContact CG2-CB 3.75Å; V425-F430 HydrophobicContact CG2-CD1 4.3Å; V425-F430 HydrophobicContact CG2-CD2 3.57Å; V425-F430 HydrophobicContact CG2-CE2 4.19Å; V425-F430 HydrophobicContact CG2-CG 3.62Å; V425-E477 VanDerWaalsContact CA-OE1 3.3Å; V425-E477 WeakPolarHBondContact CA-OE1 3.45Å; V425-E477 HydrophobicContact CB-CG 4.23Å; V425-E477 WeakPolarHBondContact CB-OE1 3.37Å; V425-E477 HydrophobicContact CG1-CG 4Å; V425-L532 HydrophobicContact CG2-CB 3.76Å; V425-L532 PolarHBondContact N-O 2.98Å; V425-L532 PolarHBondContact O-N 3.11Å; V425-L534 HydrophobicContact CG1-CB 4.37Å; V425-L534 HydrophobicContact CG2-CB 4.24Å
426	R	85.8	Confident	87.1	Confident	79 Å²	79	52.1 Å²	52.1	30%	0.298	24%	0.242	S	C	.	.			trans	-132	-17.1	-175.7	-70.9	169.4	174.1	-170.7	-3.2	111.9	F431 E476 E477 V528	R426-F431 WeakPolarHBondContact O-CE2 3.25Å; R426-E476 WeakPolarHBondContact CD-OE2 3.42Å; R426-E476 IonicContact CZ-OE2 3.56Å; R426-E476 IonicContact NE-OE2 3.64Å; R426-E476 VanDerWaalsContact NH1-CD 3.27Å; R426-E476 IonicContact NH1-OE1 3.82Å; R426-E476 PolarHBondContact NH1-OE1 2.96Å; R426-E476 IonicContact NH1-OE2 2.67Å; R426-E476 PolarHBondContact NH1-OE2 3.48Å; R426-E477 PolarHBondContact N-OE1 2.96Å; R426-V528 VanDerWaalsContact NH2-CG1 3.31Å
427	H	87.7	Confident	87.3	Confident	44 Å²	44	54.8 Å²	54.8	20%	0.204	25%	0.251	C	S	.	.			trans	-58.2	130.2	179	-173.1	-93.8	0	0	0	112.4	K429 F430 L463 E477	H427-K429 PolarHBondContact ND1-N 3.37Å; H427-K429 PolarHBondContact O-N 3.21Å; H427-F430 HydrophobicContact CB-CD2 4.21Å; H427-F430 PolarHBondContact O-N 2.94Å; H427-L463 HydrophobicContact CB-CD1 4.38Å; H427-L463 HydrophobicContact CB-CD2 4.41Å; H427-E477 WeakPolarHBondContact CB-OE1 3.31Å; H427-E477 PolarHBondContact N-OE1 2.89Å
428	P	87.9	Confident	87.4	Confident	82 Å²	82	58.3 Å²	58.3	53%	0.532	27%	0.269	S	S	.	.	H	α-helix	trans	-50.7	-34.7	-170.6	-33	36.6	0	0	0	115.9	F430 F431 E432	P428-F430 PolarHBondContact O-N 3.48Å; P428-F430 VanDerWaalsContact O-N 3.13Å; P428-F431 CarbonylContact O-C 3.59Å; P428-F431 WeakPolarHBondContact O-CA 3.48Å; P428-F431 WeakPolarHBondContact O-CB 3.42Å; P428-F431 PolarHBondContact O-N 3.09Å; P428-E432 PolarHBondContact O-N 3.01Å
429	K	89.4	Confident	87.4	Confident	68 Å²	68	53.3 Å²	53.3	30%	0.296	25%	0.248	S	C	.	.	H	α-helix	trans	-58.4	-27.3	178.9	-66.4	-172.6	176.8	-55.8	0	114.7	H427 E432 I433 I459 F462	H427-K429 PolarHBondContact ND1-N 3.37Å; H427-K429 PolarHBondContact O-N 3.21Å; K429-E432 IonicContact NZ-OE1 3.43Å; K429-E432 IonicContact NZ-OE2 2.89Å; K429-I433 PolarHBondContact O-N 2.77Å; K429-I459 HydrophobicContact CB-CD1 3.66Å; K429-I459 HydrophobicContact CB-CG1 3.88Å; K429-I459 HydrophobicContact CB-CG2 4.19Å; K429-I459 HydrophobicContact CD-CG1 4.33Å; K429-I459 WeakPolarHBondContact O-CD1 3.49Å; K429-F462 HydrophobicContact CD-CD1 4.25Å; K429-F462 HydrophobicContact CD-CE1 4.38Å
430	F	90.8	Very high	87.6	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-74.1	-32.2	173	-68	-65.9	0	0	0	112.2	V425 H427 P428 F434 I456 I459 L463 M504 L532 L534	V425-F430 HydrophobicContact CB-CD2 3.56Å; V425-F430 HydrophobicContact CB-CE2 3.84Å; V425-F430 HydrophobicContact CB-CG 4.16Å; V425-F430 HydrophobicContact CG1-CD2 4.09Å; V425-F430 HydrophobicContact CG1-CE2 3.87Å; V425-F430 HydrophobicContact CG1-CZ 4.31Å; V425-F430 HydrophobicContact CG2-CB 3.75Å; V425-F430 HydrophobicContact CG2-CD1 4.3Å; V425-F430 HydrophobicContact CG2-CD2 3.57Å; V425-F430 HydrophobicContact CG2-CE2 4.19Å; V425-F430 HydrophobicContact CG2-CG 3.62Å; H427-F430 HydrophobicContact CB-CD2 4.21Å; H427-F430 PolarHBondContact O-N 2.94Å; P428-F430 PolarHBondContact O-N 3.48Å; P428-F430 VanDerWaalsContact O-N 3.13Å; F430-F434 WeakPolarHBondContact O-CB 3.16Å; F430-F434 PolarHBondContact O-N 3Å; F430-I456 HydrophobicContact CD1-CD1 4.29Å; F430-I456 HydrophobicContact CE1-CD1 4.39Å; F430-I459 HydrophobicContact CD1-CD1 4.28Å; F430-I459 HydrophobicContact CD1-CG2 4.36Å; F430-I459 HydrophobicContact CD2-CG2 4.38Å; F430-I459 HydrophobicContact CE1-CB 4.33Å; F430-I459 HydrophobicContact CE1-CD1 4.41Å; F430-I459 HydrophobicContact CE1-CG2 3.79Å; F430-I459 HydrophobicContact CE2-CG2 3.83Å; F430-I459 HydrophobicContact CZ-CB 4.42Å; F430-I459 HydrophobicContact CZ-CG2 3.5Å; F430-L463 HydrophobicContact CE2-CD1 3.77Å; F430-L463 HydrophobicContact CZ-CD1 4.22Å; F430-M504 HydrophobicContact CD1-SD 4.49Å; F430-L532 HydrophobicContact CB-CD1 3.9Å; F430-L532 WeakPolarHBondContact O-CD1 3.41Å; F430-L534 HydrophobicContact CD1-CD1 3.85Å; F430-L534 HydrophobicContact CE1-CD1 3.61Å; F430-L534 HydrophobicContact CZ-CD1 4.35Å
431	F	90.6	Very high	87.5	Confident	31 Å²	31	61.1 Å²	61.1	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-71.9	-38.8	172.3	-67.7	-84.6	0	0	0	112.3	R426 P428 I433 F434 E435 Y440 Y506 P530 L532	R426-F431 WeakPolarHBondContact O-CE2 3.25Å; P428-F431 CarbonylContact O-C 3.59Å; P428-F431 WeakPolarHBondContact O-CA 3.48Å; P428-F431 WeakPolarHBondContact O-CB 3.42Å; P428-F431 PolarHBondContact O-N 3.09Å; F431-I433 VanDerWaalsContact C-N 3.31Å; F431-I433 PolarHBondContact O-N 3.04Å; F431-F434 WeakPolarHBondContact O-CA 3.38Å; F431-F434 WeakPolarHBondContact O-CB 3.36Å; F431-F434 PolarHBondContact O-N 2.94Å; F431-E435 WeakPolarHBondContact O-CB 3.36Å; F431-E435 PolarHBondContact O-N 3.31Å; F431-Y440 WeakPolarHBondContact CD1-OH 3.43Å; F431-Y506 HydrophobicContact CE1-CD2 4.11Å; F431-Y506 AromaticContact CE1-CE2 3.95Å; F431-Y506 HydrophobicContact CE1-CE2 3.95Å; F431-P530 WeakPolarHBondContact CZ-O 3.37Å; F431-L532 HydrophobicContact CB-CD1 4.47Å; F431-L532 HydrophobicContact CD1-CD1 3.65Å; F431-L532 HydrophobicContact CD1-CD2 4.49Å; F431-L532 HydrophobicContact CD1-CG 3.93Å; F431-L532 HydrophobicContact CD2-CD1 4.1Å; F431-L532 HydrophobicContact CE1-CD1 3.83Å; F431-L532 HydrophobicContact CE1-CD2 4.28Å; F431-L532 HydrophobicContact CE1-CG 3.6Å; F431-L532 HydrophobicContact CE2-CD1 4.27Å; F431-L532 HydrophobicContact CE2-CG 4.45Å; F431-L532 HydrophobicContact CG-CD1 3.8Å; F431-L532 HydrophobicContact CG-CG 4.49Å; F431-L532 HydrophobicContact CZ-CD1 4.15Å; F431-L532 HydrophobicContact CZ-CG 3.9Å
432	E	91.6	Very high	87.1	Confident	106 Å²	106	66.4 Å²	66.4	50%	0.495	31%	0.307	S	S	.	.	H	α-helix	trans	-52.7	-48.5	171.7	-67.4	166.3	-154.2	0	0	111	P428 K429 K436	P428-E432 PolarHBondContact O-N 3.01Å; K429-E432 IonicContact NZ-OE1 3.43Å; K429-E432 IonicContact NZ-OE2 2.89Å; E432-K436 WeakPolarHBondContact O-CB 3.45Å; E432-K436 PolarHBondContact O-N 2.8Å
433	I	91.4	Very high	87	Confident	10 Å²	10	62 Å²	62	5%	0.051	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-36.5	175.7	-67.2	-175.2	0	0	0	111.8	K429 F431 Y437 L447 E455 I456 I459 M504	K429-I433 PolarHBondContact O-N 2.77Å; F431-I433 VanDerWaalsContact C-N 3.31Å; F431-I433 PolarHBondContact O-N 3.04Å; I433-Y437 HydrophobicContact CG2-CD2 3.77Å; I433-Y437 HydrophobicContact CG2-CE2 3.92Å; I433-Y437 VanDerWaalsContact O-CD2 3.31Å; I433-Y437 WeakPolarHBondContact O-CD2 3.39Å; I433-Y437 PolarHBondContact O-N 3.32Å; I433-L447 HydrophobicContact CG2-CD1 3.98Å; I433-E455 HydrophobicContact CD1-CB 3.74Å; I433-I456 HydrophobicContact CD1-CD1 3.95Å; I433-I456 HydrophobicContact CG2-CD1 4.23Å; I433-I459 HydrophobicContact CD1-CD1 3.36Å; I433-I459 HydrophobicContact CG1-CD1 4.13Å; I433-M504 HydrophobicContact CB-CE 4.25Å; I433-M504 HydrophobicContact CG2-CE 3.7Å
434	F	91.2	Very high	87.1	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.5	-43.1	178.1	-169.8	-101.3	0	0	0	111.7	F430 F431 G439 Y440 V445 M504 Y506 L532	F430-F434 WeakPolarHBondContact O-CB 3.16Å; F430-F434 PolarHBondContact O-N 3Å; F431-F434 WeakPolarHBondContact O-CA 3.38Å; F431-F434 WeakPolarHBondContact O-CB 3.36Å; F431-F434 PolarHBondContact O-N 2.94Å; F434-G439 WeakPolarHBondContact CE1-O 3.13Å; F434-G439 VanDerWaalsContact CZ-O 3.3Å; F434-G439 WeakPolarHBondContact CZ-O 3.38Å; F434-G439 VanDerWaalsContact O-CA 3.25Å; F434-G439 WeakPolarHBondContact O-CA 3.25Å; F434-G439 PolarHBondContact O-N 3.19Å; F434-Y440 HydrophobicContact CD1-CD1 4.09Å; F434-Y440 HydrophobicContact CD1-CD2 4.37Å; F434-Y440 HydrophobicContact CD1-CE1 4.01Å; F434-Y440 HydrophobicContact CD1-CE2 4.32Å; F434-Y440 HydrophobicContact CD1-CG 4.26Å; F434-Y440 AromaticContact CE1-CD1 3.75Å; F434-Y440 HydrophobicContact CE1-CD1 3.75Å; F434-Y440 HydrophobicContact CE1-CE1 4.01Å; F434-Y440 HydrophobicContact CE1-CG 4.1Å; F434-V445 HydrophobicContact CD2-CB 4.13Å; F434-V445 HydrophobicContact CD2-CG2 3.54Å; F434-V445 HydrophobicContact CE2-CB 4.31Å; F434-V445 HydrophobicContact CE2-CG2 3.76Å; F434-V445 HydrophobicContact CG-CG2 4.16Å; F434-M504 HydrophobicContact CB-CE 4.18Å; F434-M504 HydrophobicContact CD2-CB 3.84Å; F434-M504 HydrophobicContact CD2-CE 4.27Å; F434-M504 HydrophobicContact CE2-CB 4.16Å; F434-Y506 HydrophobicContact CE1-CG 4.37Å; F434-L532 HydrophobicContact CB-CD1 4.03Å; F434-L532 HydrophobicContact CB-CD2 4.29Å; F434-L532 HydrophobicContact CD1-CD2 4.1Å; F434-L532 HydrophobicContact CD2-CD2 3.5Å; F434-L532 VanDerWaalsContact CD2-CD2 3.5Å; F434-L532 HydrophobicContact CE1-CD2 4.29Å; F434-L532 HydrophobicContact CE2-CD2 3.73Å; F434-L532 HydrophobicContact CG-CD1 4.35Å; F434-L532 HydrophobicContact CG-CD2 3.71Å; F434-L532 HydrophobicContact CZ-CD2 4.13Å
435	E	90.4	Very high	87.4	Confident	125 Å²	125	61.8 Å²	61.8	58%	0.584	30%	0.296	S	S	*	.	H	α-helix	trans	-69.5	-48.3	176.9	-172.1	167.7	-167.4	0	0	112.2	F431 Y437 D438 Y440	F431-E435 WeakPolarHBondContact O-CB 3.36Å; F431-E435 PolarHBondContact O-N 3.31Å; E435-Y437 PolarHBondContact O-N 2.73Å; E435-D438 PolarHBondContact O-N 3.39Å; E435-Y440 HydrophobicContact CB-CD2 4.2Å; E435-Y440 HydrophobicContact CB-CE2 3.91Å; E435-Y440 HydrophobicContact CG-CD2 4.19Å; E435-Y440 HydrophobicContact CG-CE2 4.15Å
436	K	91.1	Very high	87.3	Confident	120 Å²	120	67.3 Å²	67.3	52%	0.522	32%	0.32	S	S	.	.	H	α-helix	trans	-53.1	-25.1	177.5	176.1	-178.4	171.1	-168.9	0	114.3	E432 E455	E432-K436 WeakPolarHBondContact O-CB 3.45Å; E432-K436 PolarHBondContact O-N 2.8Å; K436-E455 IonicContact NZ-OE1 3.93Å; K436-E455 PolarHBondContact NZ-OE1 2.76Å; K436-E455 IonicContact NZ-OE2 4Å; K436-E455 PolarHBondContact NZ-OE2 2.75Å
437	Y	89.1	Confident	87.4	Confident	64 Å²	64	63.6 Å²	63.6	25%	0.251	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	36.2	177.1	-62.7	-65.4	0	0	0	113	I433 E435 G439 L447 Q452 E455	I433-Y437 HydrophobicContact CG2-CD2 3.77Å; I433-Y437 HydrophobicContact CG2-CE2 3.92Å; I433-Y437 VanDerWaalsContact O-CD2 3.31Å; I433-Y437 WeakPolarHBondContact O-CD2 3.39Å; I433-Y437 PolarHBondContact O-N 3.32Å; E435-Y437 PolarHBondContact O-N 2.73Å; Y437-G439 PolarHBondContact O-N 3.47Å; Y437-G439 VanDerWaalsContact O-N 3.16Å; Y437-L447 HydrophobicContact CD2-CD2 3.64Å; Y437-L447 HydrophobicContact CE2-CD2 4.04Å; Y437-L447 HydrophobicContact CG-CD2 4.04Å; Y437-Q452 HydrophobicContact CE1-CG 4.22Å; Y437-Q452 HydrophobicContact CE2-CG 4.33Å; Y437-E455 WeakPolarHBondContact CE2-OE2 3.5Å; Y437-E455 PolarHBondContact OH-OE1 2.85Å; Y437-E455 PolarHBondContact OH-OE2 2.9Å
438	D	86.4	Confident	87	Confident	83 Å²	83	68.6 Å²	68.6	44%	0.444	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	22	171.7	-78.9	-53	0	0	0	115.6	E435 Y440 K441	E435-D438 PolarHBondContact O-N 3.39Å; D438-Y440 VanDerWaalsContact C-N 3.33Å; D438-Y440 PolarHBondContact O-N 3.23Å; D438-K441 HydrophobicContact CB-CD 4.31Å; D438-K441 PolarHBondContact O-N 2.84Å; D438-K441 VanDerWaalsContact O-N 3.07Å; D438-K441 WeakPolarHBondContact OD1-CD 3.4Å; D438-K441 VanDerWaalsContact OD1-CE 3.24Å; D438-K441 WeakPolarHBondContact OD1-CE 3.44Å; D438-K441 IonicContact OD1-NZ 2.67Å; D438-K441 PolarHBondContact OD1-NZ 2.94Å
439	G	83.8	Confident	86.6	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57.9	-38.2	-171.3	0	0	0	0	0	115	F434 Y437 K441 L442 G443 H444	F434-G439 WeakPolarHBondContact CE1-O 3.13Å; F434-G439 VanDerWaalsContact CZ-O 3.3Å; F434-G439 WeakPolarHBondContact CZ-O 3.38Å; F434-G439 VanDerWaalsContact O-CA 3.25Å; F434-G439 WeakPolarHBondContact O-CA 3.25Å; F434-G439 PolarHBondContact O-N 3.19Å; Y437-G439 PolarHBondContact O-N 3.47Å; Y437-G439 VanDerWaalsContact O-N 3.16Å; G439-K441 VanDerWaalsContact C-N 3.32Å; G439-K441 PolarHBondContact O-N 2.81Å; G439-L442 PolarHBondContact O-N 2.81Å; G439-G443 CarbonylContact O-C 3.54Å; G439-G443 WeakPolarHBondContact O-CA 3.42Å; G439-G443 PolarHBondContact O-N 2.94Å; G439-H444 PolarHBondContact O-N 3.19Å
440	Y	83.4	Confident	86.1	Confident	109 Å²	109	73.6 Å²	73.6	43%	0.427	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-32.7	178.8	-67.6	-62.1	0	0	0	112.9	F431 F434 E435 D438 L442 Y506	F431-Y440 WeakPolarHBondContact CD1-OH 3.43Å; F434-Y440 HydrophobicContact CD1-CD1 4.09Å; F434-Y440 HydrophobicContact CD1-CD2 4.37Å; F434-Y440 HydrophobicContact CD1-CE1 4.01Å; F434-Y440 HydrophobicContact CD1-CE2 4.32Å; F434-Y440 HydrophobicContact CD1-CG 4.26Å; F434-Y440 AromaticContact CE1-CD1 3.75Å; F434-Y440 HydrophobicContact CE1-CD1 3.75Å; F434-Y440 HydrophobicContact CE1-CE1 4.01Å; F434-Y440 HydrophobicContact CE1-CG 4.1Å; E435-Y440 HydrophobicContact CB-CD2 4.2Å; E435-Y440 HydrophobicContact CB-CE2 3.91Å; E435-Y440 HydrophobicContact CG-CD2 4.19Å; E435-Y440 HydrophobicContact CG-CE2 4.15Å; D438-Y440 VanDerWaalsContact C-N 3.33Å; D438-Y440 PolarHBondContact O-N 3.23Å; Y440-L442 VanDerWaalsContact C-N 3.31Å; Y440-L442 PolarHBondContact O-N 2.74Å; Y440-Y506 HydrophobicContact CD1-CD1 4.4Å; Y440-Y506 HydrophobicContact CD1-CE1 4.43Å; Y440-Y506 HydrophobicContact CE1-CD1 4.46Å; Y440-Y506 HydrophobicContact CE1-CD2 4.17Å; Y440-Y506 HydrophobicContact CE1-CE1 4.3Å; Y440-Y506 HydrophobicContact CE1-CE2 4Å; Y440-Y506 HydrophobicContact CE1-CG 4.4Å
441	K	82.1	Confident	85.7	Confident	168 Å²	168	81.9 Å²	81.9	73%	0.73	38%	0.379	S	S	*	.	H	α-helix	trans	-69.9	-29.1	177.4	-62	174.9	-174.5	159.9	0	112.4	D438 G439	D438-K441 HydrophobicContact CB-CD 4.31Å; D438-K441 PolarHBondContact O-N 2.84Å; D438-K441 VanDerWaalsContact O-N 3.07Å; D438-K441 WeakPolarHBondContact OD1-CD 3.4Å; D438-K441 VanDerWaalsContact OD1-CE 3.24Å; D438-K441 WeakPolarHBondContact OD1-CE 3.44Å; D438-K441 IonicContact OD1-NZ 2.67Å; D438-K441 PolarHBondContact OD1-NZ 2.94Å; G439-K441 VanDerWaalsContact C-N 3.32Å; G439-K441 PolarHBondContact O-N 2.81Å
442	L	74.7	Confident	85.6	Confident	116 Å²	116	81.5 Å²	81.5	61%	0.607	38%	0.378	S	S	*	.	H	α-helix	trans	-109	-4.5	-174.8	-61.9	176.6	0	0	0	113.7	G439 Y440 H444	G439-L442 PolarHBondContact O-N 2.81Å; Y440-L442 VanDerWaalsContact C-N 3.31Å; Y440-L442 PolarHBondContact O-N 2.74Å; L442-H444 PolarHBondContact O-N 2.81Å; L442-H444 PolarHBondContact O-ND1 2.76Å
443	G	82.3	Confident	85.4	Confident	37 Å²	37	76.7 Å²	76.7	38%	0.381	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-2.5	-169.2	0	0	0	0	0	115.2	G439 Y506	G439-G443 CarbonylContact O-C 3.54Å; G439-G443 WeakPolarHBondContact O-CA 3.42Å; G439-G443 PolarHBondContact O-N 2.94Å; G443-Y506 PolarHBondContact O-N 2.92Å; G443-Y506 VanDerWaalsContact O-N 3.15Å
444	H	86.7	Confident	85.1	Confident	47 Å²	47	79.3 Å²	79.3	22%	0.218	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	150.7	-176.3	74	-69.1	0	0	0	112.8	G439 L442 K446 M504 K505	G439-H444 PolarHBondContact O-N 3.19Å; L442-H444 PolarHBondContact O-N 2.81Å; L442-H444 PolarHBondContact O-ND1 2.76Å; H444-K446 WeakPolarHBondContact NE2-CE 3.21Å; H444-K446 PolarHBondContact NE2-NZ 3.38Å; H444-M504 CarbonylContact C-O 3.52Å; H444-M504 WeakPolarHBondContact CA-O 3.37Å; H444-M504 WeakPolarHBondContact CB-O 3.37Å; H444-K505 HydrophobicContact CB-CG 4.06Å
445	V	90.3	Very high	85.1	Confident	7 Å²	7	81.7 Å²	81.7	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.6	175.1	176.8	0	0	0	0	109.9	F434 L447 Q503 M504	F434-V445 HydrophobicContact CD2-CB 4.13Å; F434-V445 HydrophobicContact CD2-CG2 3.54Å; F434-V445 HydrophobicContact CE2-CB 4.31Å; F434-V445 HydrophobicContact CE2-CG2 3.76Å; F434-V445 HydrophobicContact CG-CG2 4.16Å; V445-L447 HydrophobicContact CG1-CD2 3.45Å; V445-L447 VanDerWaalsContact CG1-CD2 3.45Å; V445-L447 HydrophobicContact CG1-CG 3.89Å; V445-Q503 CarbonylContact O-C 3.5Å; V445-Q503 VanDerWaalsContact O-CA 3.24Å; V445-Q503 WeakPolarHBondContact O-CA 3.43Å; V445-Q503 WeakPolarHBondContact O-CG 3.31Å; V445-M504 HydrophobicContact CB-CE 4.44Å; V445-M504 PolarHBondContact N-O 3.18Å; V445-M504 PolarHBondContact O-N 3.16Å
446	K	87.8	Confident	85.1	Confident	117 Å²	117	75.8 Å²	75.8	51%	0.509	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	94.2	178.8	-70.3	161.8	172.9	149.6	0	109.8	H444 Q503	H444-K446 WeakPolarHBondContact NE2-CE 3.21Å; H444-K446 PolarHBondContact NE2-NZ 3.38Å; K446-Q503 HydrophobicContact CG-CG 4.27Å
447	L	86.3	Confident	85	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.7	179	-53.3	-179.4	0	0	0	110.8	I433 Y437 V445 Q452 L453 I456 K501 V502 M504	I433-L447 HydrophobicContact CG2-CD1 3.98Å; Y437-L447 HydrophobicContact CD2-CD2 3.64Å; Y437-L447 HydrophobicContact CE2-CD2 4.04Å; Y437-L447 HydrophobicContact CG-CD2 4.04Å; V445-L447 HydrophobicContact CG1-CD2 3.45Å; V445-L447 VanDerWaalsContact CG1-CD2 3.45Å; V445-L447 HydrophobicContact CG1-CG 3.89Å; L447-Q452 HydrophobicContact CB-CB 3.97Å; L447-Q452 HydrophobicContact CD1-CB 4.4Å; L447-Q452 HydrophobicContact CD2-CB 4.04Å; L447-Q452 HydrophobicContact CD2-CG 4.15Å; L447-Q452 HydrophobicContact CG-CB 4.34Å; L447-L453 HydrophobicContact CB-CD2 4.46Å; L447-I456 HydrophobicContact CD1-CD1 3.86Å; L447-I456 HydrophobicContact CD1-CG1 3.65Å; L447-K501 WeakPolarHBondContact O-CG 3.38Å; L447-V502 HydrophobicContact CB-CB 4.26Å; L447-V502 PolarHBondContact N-O 3Å; L447-V502 PolarHBondContact O-N 2.73Å; L447-M504 HydrophobicContact CD1-CE 4.42Å
448	K	80.4	Confident	85.1	Confident	150 Å²	150	70.4 Å²	70.4	65%	0.652	33%	0.333	S	S	*	.			trans	-140.9	-24.7	178.8	-77.2	-170	176.9	-174.2	0	113.9	Q452 K501	K448-Q452 VanDerWaalsContact N-OE1 3.08Å; K448-K501 HydrophobicContact CG-CG 4.19Å
449	R	79.9	Confident	85.3	Confident	183 Å²	183	67 Å²	67	69%	0.691	32%	0.315	S	S	*	.	S	Bend	trans	-78.5	146	-172.2	-61.6	177.4	175.9	172.3	-1.5	110.5	K451 Q452 L453	R449-K451 VanDerWaalsContact C-N 3.34Å; R449-K451 PolarHBondContact O-N 3.49Å; R449-Q452 HydrophobicContact CB-CG 4.06Å; R449-Q452 WeakPolarHBondContact O-CA 3.38Å; R449-Q452 WeakPolarHBondContact O-CB 3.12Å; R449-Q452 PolarHBondContact O-N 2.87Å; R449-L453 PolarHBondContact O-N 3.27Å; R449-L453 VanDerWaalsContact O-N 3.1Å
450	P	77.9	Confident	85.6	Confident	72 Å²	72	67 Å²	67	47%	0.468	32%	0.315	S	S	.	.	H	α-helix	trans	-44.9	-51	178.2	-35	38.5	0	0	0	114.7	Q452 L453 Q454 F495	P450-Q452 VanDerWaalsContact C-N 3.32Å; P450-Q452 PolarHBondContact O-N 2.92Å; P450-L453 PolarHBondContact O-N 3Å; P450-L453 VanDerWaalsContact O-N 3.17Å; P450-Q454 PolarHBondContact O-N 3.24Å; P450-F495 HydrophobicContact CB-CB 3.82Å; P450-F495 HydrophobicContact CG-CB 4.21Å
451	K	83.3	Confident	85.9	Confident	173 Å²	173	66.6 Å²	66.6	75%	0.752	31%	0.312	S	S	*	.	H	α-helix	trans	-59	-39.1	177.6	-63.9	-170.6	176.9	-172.6	0	113	R449 Q454 E455	R449-K451 VanDerWaalsContact C-N 3.34Å; R449-K451 PolarHBondContact O-N 3.49Å; K451-Q454 PolarHBondContact O-N 3.36Å; K451-E455 WeakPolarHBondContact O-CG 3.46Å; K451-E455 PolarHBondContact O-N 3.28Å; K451-E455 VanDerWaalsContact O-N 3.11Å
452	Q	87.7	Confident	86.2	Confident	23 Å²	23	62.4 Å²	62.4	11%	0.107	29%	0.294	C	S	.	.	H	α-helix	trans	-69.7	-32.2	178.7	-62.5	176.1	-45.2	0	0	112.9	Y437 L447 K448 R449 P450	Y437-Q452 HydrophobicContact CE1-CG 4.22Å; Y437-Q452 HydrophobicContact CE2-CG 4.33Å; L447-Q452 HydrophobicContact CB-CB 3.97Å; L447-Q452 HydrophobicContact CD1-CB 4.4Å; L447-Q452 HydrophobicContact CD2-CB 4.04Å; L447-Q452 HydrophobicContact CD2-CG 4.15Å; L447-Q452 HydrophobicContact CG-CB 4.34Å; K448-Q452 VanDerWaalsContact N-OE1 3.08Å; R449-Q452 HydrophobicContact CB-CG 4.06Å; R449-Q452 WeakPolarHBondContact O-CA 3.38Å; R449-Q452 WeakPolarHBondContact O-CB 3.12Å; R449-Q452 PolarHBondContact O-N 2.87Å; P450-Q452 VanDerWaalsContact C-N 3.32Å; P450-Q452 PolarHBondContact O-N 2.92Å
453	L	86.6	Confident	86.8	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-78.6	-33	177.6	-61.9	178.1	0	0	0	111.3	L447 R449 P450 I456 L457 L489 F495 R500 V502	L447-L453 HydrophobicContact CB-CD2 4.46Å; R449-L453 PolarHBondContact O-N 3.27Å; R449-L453 VanDerWaalsContact O-N 3.1Å; P450-L453 PolarHBondContact O-N 3Å; P450-L453 VanDerWaalsContact O-N 3.17Å; L453-I456 PolarHBondContact O-N 3.13Å; L453-L457 PolarHBondContact O-N 2.91Å; L453-L489 HydrophobicContact CB-CD2 4.36Å; L453-L489 HydrophobicContact CD2-CD2 4.47Å; L453-F495 HydrophobicContact CB-CD1 3.84Å; L453-F495 HydrophobicContact CB-CD2 4.43Å; L453-F495 HydrophobicContact CB-CE1 3.59Å; L453-F495 HydrophobicContact CB-CE2 4.22Å; L453-F495 HydrophobicContact CB-CG 4.26Å; L453-F495 HydrophobicContact CB-CZ 3.79Å; L453-F495 HydrophobicContact CD1-CD1 3.97Å; L453-F495 HydrophobicContact CD1-CE1 4.29Å; L453-R500 HydrophobicContact CD1-CB 3.86Å; L453-V502 HydrophobicContact CD2-CB 4.33Å; L453-V502 HydrophobicContact CD2-CG2 3.91Å
454	Q	87.1	Confident	86.9	Confident	65 Å²	65	55.6 Å²	55.6	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-46.7	170.6	-170.7	60.5	64.7	0	0	111.4	P450 K451 I456 L457 D458 F495	P450-Q454 PolarHBondContact O-N 3.24Å; K451-Q454 PolarHBondContact O-N 3.36Å; Q454-I456 VanDerWaalsContact C-N 3.27Å; Q454-I456 PolarHBondContact O-N 2.98Å; Q454-L457 WeakPolarHBondContact O-CB 3.4Å; Q454-L457 PolarHBondContact O-N 3.19Å; Q454-D458 WeakPolarHBondContact CG-OD2 3.48Å; Q454-D458 PolarHBondContact NE2-OD1 3.32Å; Q454-D458 PolarHBondContact NE2-OD2 2.96Å; Q454-D458 PolarHBondContact O-N 3.01Å; Q454-F495 HydrophobicContact CB-CD2 4.36Å; Q454-F495 HydrophobicContact CB-CE2 3.88Å
455	E	90	Very high	86.9	Confident	51 Å²	51	56.1 Å²	56.1	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-56.4	-37	176.4	-71.1	171	-163.6	0	0	113.2	I433 K436 Y437 K451 I459	I433-E455 HydrophobicContact CD1-CB 3.74Å; K436-E455 IonicContact NZ-OE1 3.93Å; K436-E455 PolarHBondContact NZ-OE1 2.76Å; K436-E455 IonicContact NZ-OE2 4Å; K436-E455 PolarHBondContact NZ-OE2 2.75Å; Y437-E455 WeakPolarHBondContact CE2-OE2 3.5Å; Y437-E455 PolarHBondContact OH-OE1 2.85Å; Y437-E455 PolarHBondContact OH-OE2 2.9Å; K451-E455 WeakPolarHBondContact O-CG 3.46Å; K451-E455 PolarHBondContact O-N 3.28Å; K451-E455 VanDerWaalsContact O-N 3.11Å; E455-I459 WeakPolarHBondContact O-CG1 3.44Å; E455-I459 PolarHBondContact O-N 3.2Å
456	I	90.9	Very high	86.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-73.4	-39.5	175.1	-62.7	-69.8	0	0	0	111.9	F430 I433 L447 L453 Q454 I459 A460 L485 L489 V502 M504 L534	F430-I456 HydrophobicContact CD1-CD1 4.29Å; F430-I456 HydrophobicContact CE1-CD1 4.39Å; I433-I456 HydrophobicContact CD1-CD1 3.95Å; I433-I456 HydrophobicContact CG2-CD1 4.23Å; L447-I456 HydrophobicContact CD1-CD1 3.86Å; L447-I456 HydrophobicContact CD1-CG1 3.65Å; L453-I456 PolarHBondContact O-N 3.13Å; Q454-I456 VanDerWaalsContact C-N 3.27Å; Q454-I456 PolarHBondContact O-N 2.98Å; I456-I459 PolarHBondContact O-N 3.28Å; I456-A460 PolarHBondContact O-N 2.94Å; I456-A460 VanDerWaalsContact O-N 3.09Å; I456-L485 HydrophobicContact CG2-CD1 4.08Å; I456-L485 HydrophobicContact CG2-CD2 4.2Å; I456-L485 HydrophobicContact CG2-CG 4.48Å; I456-L489 HydrophobicContact CB-CD1 4.3Å; I456-L489 HydrophobicContact CG2-CD1 3.84Å; I456-V502 HydrophobicContact CD1-CG1 4.45Å; I456-V502 HydrophobicContact CG1-CG1 4.38Å; I456-V502 HydrophobicContact CG2-CG2 4.31Å; I456-M504 HydrophobicContact CD1-SD 4.42Å; I456-L534 HydrophobicContact CG2-CD1 4.38Å
457	L	88.8	Confident	86.2	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-41.5	177.5	170.8	56.4	0	0	0	111.5	L453 Q454 I459 A460 R461 K486 L489 E490 F495	L453-L457 PolarHBondContact O-N 2.91Å; Q454-L457 WeakPolarHBondContact O-CB 3.4Å; Q454-L457 PolarHBondContact O-N 3.19Å; L457-I459 VanDerWaalsContact C-N 3.34Å; L457-I459 PolarHBondContact O-N 3.27Å; L457-A460 WeakPolarHBondContact O-CB 3.35Å; L457-A460 PolarHBondContact O-N 3.15Å; L457-A460 VanDerWaalsContact O-N 3.13Å; L457-R461 HydrophobicContact CD1-CG 4.07Å; L457-R461 WeakPolarHBondContact O-CG 3.35Å; L457-R461 PolarHBondContact O-N 2.89Å; L457-K486 HydrophobicContact CD1-CB 4.36Å; L457-K486 HydrophobicContact CD1-CG 4.22Å; L457-L489 HydrophobicContact CB-CB 4.13Å; L457-L489 HydrophobicContact CB-CD1 3.95Å; L457-L489 HydrophobicContact CD1-CB 4.1Å; L457-L489 HydrophobicContact CD2-CB 4.33Å; L457-L489 HydrophobicContact CG-CB 4.41Å; L457-E490 HydrophobicContact CD1-CG 3.56Å; L457-E490 HydrophobicContact CD2-CG 3.77Å; L457-E490 HydrophobicContact CG-CG 4.31Å; L457-F495 HydrophobicContact CB-CZ 4.33Å; L457-F495 HydrophobicContact CD2-CE2 4.22Å; L457-F495 HydrophobicContact CD2-CZ 3.93Å
458	D	90.6	Very high	85.9	Confident	68 Å²	68	60.6 Å²	60.6	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-71.3	-29.6	-178.8	-62.9	-34.1	0	0	0	112.3	Q454 R461 F462	Q454-D458 WeakPolarHBondContact CG-OD2 3.48Å; Q454-D458 PolarHBondContact NE2-OD1 3.32Å; Q454-D458 PolarHBondContact NE2-OD2 2.96Å; Q454-D458 PolarHBondContact O-N 3.01Å; D458-R461 IonicContact OD1-CZ 3.57Å; D458-R461 IonicContact OD1-NH1 2.68Å; D458-R461 PolarHBondContact OD1-NH1 2.91Å; D458-F462 VanDerWaalsContact O-CB 3.28Å; D458-F462 WeakPolarHBondContact O-CB 3.35Å; D458-F462 PolarHBondContact O-N 3.48Å
459	I	90.5	Very high	85.6	Confident	12 Å²	12	58.8 Å²	58.8	6%	0.062	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-46.1	165.8	-66	168.9	0	0	0	111	K429 F430 I433 E455 I456 L457 R461 F462 L463	K429-I459 HydrophobicContact CB-CD1 3.66Å; K429-I459 HydrophobicContact CB-CG1 3.88Å; K429-I459 HydrophobicContact CB-CG2 4.19Å; K429-I459 HydrophobicContact CD-CG1 4.33Å; K429-I459 WeakPolarHBondContact O-CD1 3.49Å; F430-I459 HydrophobicContact CD1-CD1 4.28Å; F430-I459 HydrophobicContact CD1-CG2 4.36Å; F430-I459 HydrophobicContact CD2-CG2 4.38Å; F430-I459 HydrophobicContact CE1-CB 4.33Å; F430-I459 HydrophobicContact CE1-CD1 4.41Å; F430-I459 HydrophobicContact CE1-CG2 3.79Å; F430-I459 HydrophobicContact CE2-CG2 3.83Å; F430-I459 HydrophobicContact CZ-CB 4.42Å; F430-I459 HydrophobicContact CZ-CG2 3.5Å; I433-I459 HydrophobicContact CD1-CD1 3.36Å; I433-I459 HydrophobicContact CG1-CD1 4.13Å; E455-I459 WeakPolarHBondContact O-CG1 3.44Å; E455-I459 PolarHBondContact O-N 3.2Å; I456-I459 PolarHBondContact O-N 3.28Å; L457-I459 VanDerWaalsContact C-N 3.34Å; L457-I459 PolarHBondContact O-N 3.27Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 PolarHBondContact O-N 3.07Å; I459-F462 PolarHBondContact O-N 3.46Å; I459-L463 HydrophobicContact CG2-CD1 3.83Å; I459-L463 HydrophobicContact CG2-CG 4.22Å; I459-L463 WeakPolarHBondContact O-CG 3.3Å; I459-L463 PolarHBondContact O-N 3.44Å
460	A	89.6	Confident	84.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-44.4	-179.8	0	0	0	0	0	111.5	I456 L457 L463 L464 L485 K486	I456-A460 PolarHBondContact O-N 2.94Å; I456-A460 VanDerWaalsContact O-N 3.09Å; L457-A460 WeakPolarHBondContact O-CB 3.35Å; L457-A460 PolarHBondContact O-N 3.15Å; L457-A460 VanDerWaalsContact O-N 3.13Å; A460-L463 PolarHBondContact O-N 3Å; A460-L464 WeakPolarHBondContact O-CB 3.27Å; A460-L464 WeakPolarHBondContact O-CD1 3.33Å; A460-L464 VanDerWaalsContact O-CG 3.25Å; A460-L464 WeakPolarHBondContact O-CG 3.09Å; A460-L464 PolarHBondContact O-N 2.97Å; A460-L485 HydrophobicContact CB-CD2 4Å; A460-L485 HydrophobicContact CB-CG 4.11Å; A460-K486 HydrophobicContact CB-CB 4.48Å
461	R	89.8	Confident	83.6	Confident	99 Å²	99	56.3 Å²	56.3	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-47.1	173.3	-71.5	164.4	167.8	177.3	-11.2	112.3	L457 D458 I459 L464 S465 E490	L457-R461 HydrophobicContact CD1-CG 4.07Å; L457-R461 WeakPolarHBondContact O-CG 3.35Å; L457-R461 PolarHBondContact O-N 2.89Å; D458-R461 IonicContact OD1-CZ 3.57Å; D458-R461 IonicContact OD1-NH1 2.68Å; D458-R461 PolarHBondContact OD1-NH1 2.91Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 PolarHBondContact O-N 3.07Å; R461-L464 PolarHBondContact O-N 3.41Å; R461-S465 WeakPolarHBondContact O-CB 3.42Å; R461-S465 PolarHBondContact O-N 3.16Å; R461-S465 PolarHBondContact O-OG 3.26Å; R461-E490 IonicContact CZ-OE1 2.77Å; R461-E490 IonicContact NE-OE1 2.74Å; R461-E490 PolarHBondContact NE-OE1 3.1Å; R461-E490 IonicContact NH2-OE1 3.39Å; R461-E490 PolarHBondContact NH2-OE1 2.93Å
462	F	89.1	Confident	82.1	Confident	81 Å²	81	56.8 Å²	56.8	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-57.9	-52.1	177.6	171.7	-98.5	0	0	0	111.4	K429 D458 I459 L464 S465 E466	K429-F462 HydrophobicContact CD-CD1 4.25Å; K429-F462 HydrophobicContact CD-CE1 4.38Å; D458-F462 VanDerWaalsContact O-CB 3.28Å; D458-F462 WeakPolarHBondContact O-CB 3.35Å; D458-F462 PolarHBondContact O-N 3.48Å; I459-F462 PolarHBondContact O-N 3.46Å; F462-L464 PolarHBondContact O-N 3.44Å; F462-S465 PolarHBondContact O-N 3.49Å; F462-S465 VanDerWaalsContact O-N 3.16Å; F462-S465 PolarHBondContact O-OG 3.36Å; F462-E466 HydrophobicContact CE1-CG 4.11Å; F462-E466 HydrophobicContact CE2-CG 4.05Å; F462-E466 HydrophobicContact CZ-CG 3.83Å; F462-E466 PolarHBondContact O-N 3.33Å
463	L	87	Confident	80.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-42.8	-179.8	-67.3	175.2	0	0	0	112.4	H427 F430 I459 A460 S465 E466 I467 I475 L482	H427-L463 HydrophobicContact CB-CD1 4.38Å; H427-L463 HydrophobicContact CB-CD2 4.41Å; F430-L463 HydrophobicContact CE2-CD1 3.77Å; F430-L463 HydrophobicContact CZ-CD1 4.22Å; I459-L463 HydrophobicContact CG2-CD1 3.83Å; I459-L463 HydrophobicContact CG2-CG 4.22Å; I459-L463 WeakPolarHBondContact O-CG 3.3Å; I459-L463 PolarHBondContact O-N 3.44Å; A460-L463 PolarHBondContact O-N 3Å; L463-S465 VanDerWaalsContact C-N 3.33Å; L463-S465 PolarHBondContact O-N 3.15Å; L463-E466 PolarHBondContact O-N 3.3Å; L463-I467 VanDerWaalsContact O-CG1 3.3Å; L463-I467 WeakPolarHBondContact O-CG1 3.41Å; L463-I467 PolarHBondContact O-N 3.35Å; L463-I475 HydrophobicContact CD2-CD1 4.24Å; L463-I475 HydrophobicContact CD2-CG2 4.48Å; L463-L482 HydrophobicContact CB-CD1 3.67Å; L463-L482 HydrophobicContact CD1-CD1 4.22Å; L463-L482 HydrophobicContact CD1-CD2 3.95Å
464	L	85.6	Confident	79.1	Confident	10 Å²	10	66.7 Å²	66.7	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-42.1	174.7	-73.1	163.5	0	0	0	111.9	A460 R461 F462 I467 H468 E479 L482 E483 K486	A460-L464 WeakPolarHBondContact O-CB 3.27Å; A460-L464 WeakPolarHBondContact O-CD1 3.33Å; A460-L464 VanDerWaalsContact O-CG 3.25Å; A460-L464 WeakPolarHBondContact O-CG 3.09Å; A460-L464 PolarHBondContact O-N 2.97Å; R461-L464 PolarHBondContact O-N 3.41Å; F462-L464 PolarHBondContact O-N 3.44Å; L464-I467 PolarHBondContact O-N 3.43Å; L464-H468 PolarHBondContact O-N 3.45Å; L464-H468 PolarHBondContact O-ND1 3.27Å; L464-E479 HydrophobicContact CD2-CG 3.95Å; L464-L482 HydrophobicContact CD1-CB 4.27Å; L464-L482 HydrophobicContact CD2-CB 3.8Å; L464-L482 HydrophobicContact CG-CB 3.85Å; L464-E483 WeakPolarHBondContact CD1-OE2 3.09Å; L464-E483 HydrophobicContact CD2-CB 4.18Å; L464-K486 HydrophobicContact CD1-CB 3.98Å; L464-K486 HydrophobicContact CD1-CD 3.62Å; L464-K486 HydrophobicContact CD1-CG 4.37Å
465	S	85.5	Confident	78	Confident	57 Å²	57	65.2 Å²	65.2	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-36.7	178.1	70.9	0	0	0	0	113	R461 F462 L463 H468 T469	R461-S465 WeakPolarHBondContact O-CB 3.42Å; R461-S465 PolarHBondContact O-N 3.16Å; R461-S465 PolarHBondContact O-OG 3.26Å; F462-S465 PolarHBondContact O-N 3.49Å; F462-S465 VanDerWaalsContact O-N 3.16Å; F462-S465 PolarHBondContact O-OG 3.36Å; L463-S465 VanDerWaalsContact C-N 3.33Å; L463-S465 PolarHBondContact O-N 3.15Å; S465-H468 PolarHBondContact O-N 3.29Å; S465-T469 VanDerWaalsContact O-CB 3.24Å; S465-T469 WeakPolarHBondContact O-CB 3.49Å; S465-T469 PolarHBondContact O-N 2.77Å; S465-T469 PolarHBondContact O-OG1 2.88Å
466	E	82.8	Confident	76.7	Confident	44 Å²	44	68.8 Å²	68.8	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-66.6	-45.7	174.3	-74	-80.8	97.7	0	0	111.3	F462 L463 H468 T469 K470 I475	F462-E466 HydrophobicContact CE1-CG 4.11Å; F462-E466 HydrophobicContact CE2-CG 4.05Å; F462-E466 HydrophobicContact CZ-CG 3.83Å; F462-E466 PolarHBondContact O-N 3.33Å; L463-E466 PolarHBondContact O-N 3.3Å; E466-H468 VanDerWaalsContact C-N 3.33Å; E466-H468 PolarHBondContact O-N 3.41Å; E466-T469 PolarHBondContact O-N 2.93Å; E466-K470 WeakPolarHBondContact O-CB 3.33Å; E466-K470 PolarHBondContact O-N 3.22Å; E466-K470 VanDerWaalsContact OE1-CE 3.26Å; E466-K470 WeakPolarHBondContact OE1-CE 3.42Å; E466-K470 IonicContact OE1-NZ 3.07Å; E466-K470 PolarHBondContact OE1-NZ 2.7Å; E466-K470 IonicContact OE2-NZ 2.71Å; E466-K470 PolarHBondContact OE2-NZ 3.18Å; E466-I475 HydrophobicContact CB-CD1 3.69Å
467	I	82	Confident	76	Confident	44 Å²	44	69.3 Å²	69.3	23%	0.226	36%	0.358	C	S	.	.	H	α-helix	trans	-55.9	-46.9	174.7	-68.2	164.6	0	0	0	110.9	L463 L464 T469 I475 E479 L482	L463-I467 VanDerWaalsContact O-CG1 3.3Å; L463-I467 WeakPolarHBondContact O-CG1 3.41Å; L463-I467 PolarHBondContact O-N 3.35Å; L464-I467 PolarHBondContact O-N 3.43Å; I467-T469 VanDerWaalsContact C-N 3.35Å; I467-T469 PolarHBondContact O-N 2.92Å; I467-I475 HydrophobicContact CD1-CG2 4.04Å; I467-I475 HydrophobicContact CG1-CB 4.3Å; I467-I475 HydrophobicContact CG1-CD1 3.85Å; I467-I475 HydrophobicContact CG1-CG2 4.18Å; I467-E479 HydrophobicContact CD1-CB 4.24Å; I467-E479 HydrophobicContact CD1-CG 4.41Å; I467-E479 HydrophobicContact CG2-CG 4.25Å; I467-L482 HydrophobicContact CD1-CD1 3.83Å
468	H	78.5	Confident	75.3	Confident	132 Å²	132	74.5 Å²	74.5	61%	0.611	38%	0.38	S	S	*	.	H	α-helix	trans	-70.8	-26.9	-178.8	-78	72.1	0	0	0	113.8	L464 S465 E466 E479	L464-H468 PolarHBondContact O-N 3.45Å; L464-H468 PolarHBondContact O-ND1 3.27Å; S465-H468 PolarHBondContact O-N 3.29Å; E466-H468 VanDerWaalsContact C-N 3.33Å; E466-H468 PolarHBondContact O-N 3.41Å; H468-E479 IonicContact CE1-OE1 3.51Å; H468-E479 PolarHBondContact CE1-OE1 2.93Å; H468-E479 VanDerWaalsContact CE1-OE1 3.3Å; H468-E479 IonicContact NE2-OE1 2.82Å
469	T	74.1	Confident	74.8	Confident	111 Å²	111	75.7 Å²	75.7	68%	0.681	38%	0.384	S	S	*	.	H	α-helix	trans	-99.2	-23.4	-173.9	-49.1	0	0	0	0	112.8	S465 E466 I467	S465-T469 VanDerWaalsContact O-CB 3.24Å; S465-T469 WeakPolarHBondContact O-CB 3.49Å; S465-T469 PolarHBondContact O-N 2.77Å; S465-T469 PolarHBondContact O-OG1 2.88Å; E466-T469 PolarHBondContact O-N 2.93Å; I467-T469 VanDerWaalsContact C-N 3.35Å; I467-T469 PolarHBondContact O-N 2.92Å
470	K	66.6	Low	74.1	Confident	105 Å²	105	79.1 Å²	79.1	46%	0.457	41%	0.409	S	S	.	.			trans	-127.8	98.1	-174.9	-65.9	171.2	-179.4	164.9	0	110.9	E466 H472 A473	E466-K470 WeakPolarHBondContact O-CB 3.33Å; E466-K470 PolarHBondContact O-N 3.22Å; E466-K470 VanDerWaalsContact OE1-CE 3.26Å; E466-K470 WeakPolarHBondContact OE1-CE 3.42Å; E466-K470 IonicContact OE1-NZ 3.07Å; E466-K470 PolarHBondContact OE1-NZ 2.7Å; E466-K470 IonicContact OE2-NZ 2.71Å; E466-K470 PolarHBondContact OE2-NZ 3.18Å; K470-H472 PolarHBondContact O-N 2.86Å; K470-A473 HydrophobicContact CB-CB 4.02Å; K470-A473 PolarHBondContact O-N 2.83Å; K470-A473 VanDerWaalsContact O-N 3.13Å
471	A	50.4	Low	73.7	Confident	98 Å²	98	82.3 Å²	82.3	81%	0.81	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-5.3	178.2	0	0	0	0	0	115.8
472	H	50	Low	73.4	Confident	184 Å²	184	77.7 Å²	77.7	85%	0.852	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	35	177.8	-62	-47.1	0	0	0	112.6	K470	K470-H472 PolarHBondContact O-N 2.86Å
473	A	55.4	Low	73	Confident	36 Å²	36	76.5 Å²	76.5	30%	0.298	40%	0.401	S	S	.	.			trans	-76.9	130.6	167.5	0	0	0	0	0	110.8	K470 I475	K470-A473 HydrophobicContact CB-CB 4.02Å; K470-A473 PolarHBondContact O-N 2.83Å; K470-A473 VanDerWaalsContact O-N 3.13Å; A473-I475 HydrophobicContact CB-CD1 3.87Å; A473-I475 HydrophobicContact CB-CG1 4.06Å; A473-I475 PolarHBondContact O-N 2.93Å
474	E	56.8	Low	72.7	Confident	199 Å²	199	77.8 Å²	77.8	93%	0.93	41%	0.407	S	S	*	.			trans	-76.9	59.3	176.7	-63.7	-177.2	145.4	0	0	111.6
475	I	63.9	Low	72.7	Confident	35 Å²	35	77.4 Å²	77.4	18%	0.179	41%	0.405	C	S	.	.			trans	-99.3	107.1	178.4	-63.5	169.4	0	0	0	108.6	L463 E466 I467 A473 E477	L463-I475 HydrophobicContact CD2-CD1 4.24Å; L463-I475 HydrophobicContact CD2-CG2 4.48Å; E466-I475 HydrophobicContact CB-CD1 3.69Å; I467-I475 HydrophobicContact CD1-CG2 4.04Å; I467-I475 HydrophobicContact CG1-CB 4.3Å; I467-I475 HydrophobicContact CG1-CD1 3.85Å; I467-I475 HydrophobicContact CG1-CG2 4.18Å; A473-I475 HydrophobicContact CB-CD1 3.87Å; A473-I475 HydrophobicContact CB-CG1 4.06Å; A473-I475 PolarHBondContact O-N 2.93Å; I475-E477 VanDerWaalsContact C-N 3.32Å; I475-E477 HydrophobicContact CG2-CB 4.12Å
476	E	63.2	Low	72.7	Confident	126 Å²	126	76.9 Å²	76.9	59%	0.589	40%	0.395	S	S	*	.			trans	-75.7	-18.5	179.1	-65.6	-167.7	123.6	0	0	113.3	R426 K478	R426-E476 WeakPolarHBondContact CD-OE2 3.42Å; R426-E476 IonicContact CZ-OE2 3.56Å; R426-E476 IonicContact NE-OE2 3.64Å; R426-E476 VanDerWaalsContact NH1-CD 3.27Å; R426-E476 IonicContact NH1-OE1 3.82Å; R426-E476 PolarHBondContact NH1-OE1 2.96Å; R426-E476 IonicContact NH1-OE2 2.67Å; R426-E476 PolarHBondContact NH1-OE2 3.48Å; E476-K478 PolarHBondContact O-N 3.45Å
477	E	76.8	Confident	72.7	Confident	10 Å²	10	77.7 Å²	77.7	5%	0.047	40%	0.401	C	S	.	.	S	Bend	trans	-66.1	117.4	177.3	-76.4	80.2	-175.9	0	0	112.7	V425 R426 H427 I475 E479 L482	V425-E477 VanDerWaalsContact CA-OE1 3.3Å; V425-E477 WeakPolarHBondContact CA-OE1 3.45Å; V425-E477 HydrophobicContact CB-CG 4.23Å; V425-E477 WeakPolarHBondContact CB-OE1 3.37Å; V425-E477 HydrophobicContact CG1-CG 4Å; R426-E477 PolarHBondContact N-OE1 2.96Å; H427-E477 WeakPolarHBondContact CB-OE1 3.31Å; H427-E477 PolarHBondContact N-OE1 2.89Å; I475-E477 VanDerWaalsContact C-N 3.32Å; I475-E477 HydrophobicContact CG2-CB 4.12Å; E477-E479 PolarHBondContact O-N 3.42Å; E477-E479 VanDerWaalsContact O-N 3.08Å; E477-L482 HydrophobicContact CB-CD1 3.82Å; E477-L482 HydrophobicContact CB-CD2 4.19Å; E477-L482 HydrophobicContact CB-CG 4.08Å; E477-L482 HydrophobicContact CG-CD2 4.45Å
478	K	73.9	Confident	72.5	Confident	113 Å²	113	75.6 Å²	75.6	49%	0.491	39%	0.39	S	S	.	.			trans	-53.3	115.4	174.4	-63.1	-171.8	-176.7	-172	0	111.4	E476 S480 K481 L482 D518	E476-K478 PolarHBondContact O-N 3.45Å; K478-S480 VanDerWaalsContact C-N 3.31Å; K478-S480 PolarHBondContact O-N 3.09Å; K478-K481 HydrophobicContact CB-CB 4.45Å; K478-K481 HydrophobicContact CB-CG 4.07Å; K478-K481 WeakPolarHBondContact O-CA 3.36Å; K478-K481 WeakPolarHBondContact O-CB 3.42Å; K478-K481 PolarHBondContact O-N 3.02Å; K478-L482 PolarHBondContact O-N 2.81Å; K478-D518 IonicContact NZ-OD2 3.53Å; K478-D518 PolarHBondContact NZ-OD2 2.75Å
479	E	78.8	Confident	72.7	Confident	94 Å²	94	69.4 Å²	69.4	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-43.1	-51.1	178.1	-172.2	-164.7	162.9	0	0	113.3	L464 I467 H468 E477 K481 L482 E483	L464-E479 HydrophobicContact CD2-CG 3.95Å; I467-E479 HydrophobicContact CD1-CB 4.24Å; I467-E479 HydrophobicContact CD1-CG 4.41Å; I467-E479 HydrophobicContact CG2-CG 4.25Å; H468-E479 IonicContact CE1-OE1 3.51Å; H468-E479 PolarHBondContact CE1-OE1 2.93Å; H468-E479 VanDerWaalsContact CE1-OE1 3.3Å; H468-E479 IonicContact NE2-OE1 2.82Å; E477-E479 PolarHBondContact O-N 3.42Å; E477-E479 VanDerWaalsContact O-N 3.08Å; E479-K481 PolarHBondContact O-N 3.42Å; E479-K481 VanDerWaalsContact O-N 3.1Å; E479-L482 CarbonylContact O-C 3.53Å; E479-L482 WeakPolarHBondContact O-CA 3.19Å; E479-L482 WeakPolarHBondContact O-CB 3.31Å; E479-L482 PolarHBondContact O-N 2.84Å; E479-E483 PolarHBondContact O-N 3.33Å
480	S	75.3	Confident	72.9	Confident	84 Å²	84	67 Å²	67	59%	0.587	34%	0.342	S	S	*	.	H	α-helix	trans	-62.2	-19.9	-179.9	59.2	0	0	0	0	114.8	K478 Q484	K478-S480 VanDerWaalsContact C-N 3.31Å; K478-S480 PolarHBondContact O-N 3.09Å; S480-Q484 WeakPolarHBondContact O-CB 3.33Å; S480-Q484 PolarHBondContact O-N 3.32Å
481	K	81.4	Confident	73.1	Confident	66 Å²	66	63.2 Å²	63.2	29%	0.287	33%	0.327	S	S	.	.	H	α-helix	trans	-85.4	-32.1	171.4	-60.8	-60.1	-177.7	-171	0	112.2	M421 V423 K478 E479 L485	M421-K481 WeakPolarHBondContact CE-O 3.16Å; V423-K481 HydrophobicContact CB-CB 4.38Å; V423-K481 HydrophobicContact CG2-CB 3.84Å; V423-K481 HydrophobicContact CG2-CG 4.27Å; K478-K481 HydrophobicContact CB-CB 4.45Å; K478-K481 HydrophobicContact CB-CG 4.07Å; K478-K481 WeakPolarHBondContact O-CA 3.36Å; K478-K481 WeakPolarHBondContact O-CB 3.42Å; K478-K481 PolarHBondContact O-N 3.02Å; E479-K481 PolarHBondContact O-N 3.42Å; E479-K481 VanDerWaalsContact O-N 3.1Å; K481-L485 VanDerWaalsContact O-CB 3.32Å; K481-L485 WeakPolarHBondContact O-CB 3.41Å; K481-L485 PolarHBondContact O-N 2.96Å
482	L	83.9	Confident	73.7	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-41.8	172	-65.3	172.6	0	0	0	110.9	L463 L464 I467 E477 K478 E479 Q484 L485 K486	L463-L482 HydrophobicContact CB-CD1 3.67Å; L463-L482 HydrophobicContact CD1-CD1 4.22Å; L463-L482 HydrophobicContact CD1-CD2 3.95Å; L464-L482 HydrophobicContact CD1-CB 4.27Å; L464-L482 HydrophobicContact CD2-CB 3.8Å; L464-L482 HydrophobicContact CG-CB 3.85Å; I467-L482 HydrophobicContact CD1-CD1 3.83Å; E477-L482 HydrophobicContact CB-CD1 3.82Å; E477-L482 HydrophobicContact CB-CD2 4.19Å; E477-L482 HydrophobicContact CB-CG 4.08Å; E477-L482 HydrophobicContact CG-CD2 4.45Å; K478-L482 PolarHBondContact O-N 2.81Å; E479-L482 CarbonylContact O-C 3.53Å; E479-L482 WeakPolarHBondContact O-CA 3.19Å; E479-L482 WeakPolarHBondContact O-CB 3.31Å; E479-L482 PolarHBondContact O-N 2.84Å; L482-Q484 PolarHBondContact O-N 3.23Å; L482-L485 WeakPolarHBondContact O-CB 3.1Å; L482-L485 PolarHBondContact O-N 3.42Å; L482-K486 WeakPolarHBondContact O-CB 3.43Å; L482-K486 PolarHBondContact O-N 2.96Å
483	E	82.2	Confident	74.1	Confident	57 Å²	57	57.1 Å²	57.1	27%	0.266	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-39.7	175.7	-170.7	56.6	-147.3	0	0	110.9	L464 E479 K486 N487	L464-E483 WeakPolarHBondContact CD1-OE2 3.09Å; L464-E483 HydrophobicContact CD2-CB 4.18Å; E479-E483 PolarHBondContact O-N 3.33Å; E483-K486 VanDerWaalsContact CD-NZ 3.29Å; E483-K486 IonicContact OE1-NZ 2.73Å; E483-K486 PolarHBondContact OE1-NZ 3.41Å; E483-K486 WeakPolarHBondContact OE2-CD 3.31Å; E483-K486 IonicContact OE2-NZ 3.61Å; E483-K486 PolarHBondContact OE2-NZ 3.11Å; E483-K486 VanDerWaalsContact OE2-NZ 3.1Å; E483-N487 WeakPolarHBondContact O-CB 3.26Å; E483-N487 PolarHBondContact O-N 2.82Å; E483-N487 PolarHBondContact O-ND2 3.03Å; E483-N487 PolarHBondContact OE1-ND2 2.66Å; E483-N487 PolarHBondContact OE1-OD1 2.8Å
484	Q	80.4	Confident	74.2	Confident	27 Å²	27	60.8 Å²	60.8	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-42	170.4	-176.5	171.8	43.5	0	0	112.7	M421 S480 L482 V488	M421-Q484 HydrophobicContact CE-CB 3.99Å; M421-Q484 HydrophobicContact CE-CG 3.86Å; M421-Q484 HydrophobicContact SD-CG 4.01Å; S480-Q484 WeakPolarHBondContact O-CB 3.33Å; S480-Q484 PolarHBondContact O-N 3.32Å; L482-Q484 PolarHBondContact O-N 3.23Å; Q484-V488 HydrophobicContact CG-CG2 4.45Å; Q484-V488 WeakPolarHBondContact O-CB 3.27Å; Q484-V488 VanDerWaalsContact O-CG2 3.28Å; Q484-V488 WeakPolarHBondContact O-CG2 3.5Å; Q484-V488 PolarHBondContact O-N 2.85Å
485	L	84.8	Confident	74.4	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-46.3	177.4	172.8	60.9	0	0	0	111.4	M421 I456 A460 K481 L482 L489 L534 L536	M421-L485 HydrophobicContact CE-CB 4.32Å; I456-L485 HydrophobicContact CG2-CD1 4.08Å; I456-L485 HydrophobicContact CG2-CD2 4.2Å; I456-L485 HydrophobicContact CG2-CG 4.48Å; A460-L485 HydrophobicContact CB-CD2 4Å; A460-L485 HydrophobicContact CB-CG 4.11Å; K481-L485 VanDerWaalsContact O-CB 3.32Å; K481-L485 WeakPolarHBondContact O-CB 3.41Å; K481-L485 PolarHBondContact O-N 2.96Å; L482-L485 WeakPolarHBondContact O-CB 3.1Å; L482-L485 PolarHBondContact O-N 3.42Å; L485-L489 HydrophobicContact CD1-CD1 3.62Å; L485-L489 HydrophobicContact CD1-CG 4.25Å; L485-L489 HydrophobicContact CG-CD1 4.1Å; L485-L489 WeakPolarHBondContact O-CB 3.47Å; L485-L489 VanDerWaalsContact O-CG 3.24Å; L485-L489 WeakPolarHBondContact O-CG 3.45Å; L485-L489 PolarHBondContact O-N 3.29Å; L485-L489 VanDerWaalsContact O-N 3.11Å; L485-L534 HydrophobicContact CD1-CD2 4.19Å; L485-L534 HydrophobicContact CD2-CD1 4.46Å; L485-L536 HydrophobicContact CD1-CB 4.36Å; L485-L536 HydrophobicContact CD1-CD2 3.72Å; L485-L536 HydrophobicContact CD1-CG 4.49Å
486	K	86.1	Confident	73.5	Confident	47 Å²	47	54.2 Å²	54.2	20%	0.204	29%	0.285	C	S	.	.	H	α-helix	trans	-56.2	-60.8	172.3	168.4	-164	152.3	-152.5	0	110.6	L457 A460 L464 L482 E483 V488 L489 E490	L457-K486 HydrophobicContact CD1-CB 4.36Å; L457-K486 HydrophobicContact CD1-CG 4.22Å; A460-K486 HydrophobicContact CB-CB 4.48Å; L464-K486 HydrophobicContact CD1-CB 3.98Å; L464-K486 HydrophobicContact CD1-CD 3.62Å; L464-K486 HydrophobicContact CD1-CG 4.37Å; L482-K486 WeakPolarHBondContact O-CB 3.43Å; L482-K486 PolarHBondContact O-N 2.96Å; E483-K486 VanDerWaalsContact CD-NZ 3.29Å; E483-K486 IonicContact OE1-NZ 2.73Å; E483-K486 PolarHBondContact OE1-NZ 3.41Å; E483-K486 WeakPolarHBondContact OE2-CD 3.31Å; E483-K486 IonicContact OE2-NZ 3.61Å; E483-K486 PolarHBondContact OE2-NZ 3.11Å; E483-K486 VanDerWaalsContact OE2-NZ 3.1Å; K486-V488 VanDerWaalsContact C-N 3.29Å; K486-V488 PolarHBondContact O-N 2.94Å; K486-L489 CarbonylContact O-C 3.57Å; K486-L489 WeakPolarHBondContact O-CA 3.14Å; K486-L489 PolarHBondContact O-N 2.85Å; K486-E490 WeakPolarHBondContact CE-OE2 3.13Å; K486-E490 HydrophobicContact CG-CG 4.2Å; K486-E490 VanDerWaalsContact CG-OE2 3.24Å; K486-E490 WeakPolarHBondContact CG-OE2 3.29Å; K486-E490 WeakPolarHBondContact O-CG 3.48Å; K486-E490 PolarHBondContact O-N 3.21Å
487	N	81.8	Confident	72.9	Confident	61 Å²	61	52.1 Å²	52.1	33%	0.326	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-35.6	-172.7	-68.4	-23.5	0	0	0	112.6	E483 M491	E483-N487 WeakPolarHBondContact O-CB 3.26Å; E483-N487 PolarHBondContact O-N 2.82Å; E483-N487 PolarHBondContact O-ND2 3.03Å; E483-N487 PolarHBondContact OE1-ND2 2.66Å; E483-N487 PolarHBondContact OE1-OD1 2.8Å; N487-M491 WeakPolarHBondContact O-CB 3.4Å; N487-M491 PolarHBondContact O-N 3.34Å
488	V	79.3	Confident	71.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.7	-34.1	173.4	172.1	0	0	0	0	112.4	Q484 K486 M491 R500 L536 W538 L727	Q484-V488 HydrophobicContact CG-CG2 4.45Å; Q484-V488 WeakPolarHBondContact O-CB 3.27Å; Q484-V488 VanDerWaalsContact O-CG2 3.28Å; Q484-V488 WeakPolarHBondContact O-CG2 3.5Å; Q484-V488 PolarHBondContact O-N 2.85Å; K486-V488 VanDerWaalsContact C-N 3.29Å; K486-V488 PolarHBondContact O-N 2.94Å; V488-M491 HydrophobicContact CG1-CE 4.32Å; V488-R500 WeakPolarHBondContact O-CD 3.43Å; V488-R500 PolarHBondContact O-NE 3.26Å; V488-R500 PolarHBondContact O-NH1 3.18Å; V488-L536 HydrophobicContact CB-CD2 3.7Å; V488-L536 HydrophobicContact CG1-CD1 4.47Å; V488-L536 HydrophobicContact CG1-CD2 3.42Å; V488-L536 VanDerWaalsContact CG1-CD2 3.42Å; V488-L536 HydrophobicContact CG1-CG 4.12Å; V488-L536 HydrophobicContact CG2-CD2 4.47Å; V488-W538 HydrophobicContact CB-CD2 4.43Å; V488-W538 HydrophobicContact CG1-CB 3.87Å; V488-W538 HydrophobicContact CG1-CD2 3.45Å; V488-W538 VanDerWaalsContact CG1-CD2 3.45Å; V488-W538 HydrophobicContact CG1-CE3 3.76Å; V488-W538 HydrophobicContact CG1-CG 3.52Å; V488-W538 HydrophobicContact CG1-CZ3 4.42Å; V488-W538 HydrophobicContact CG2-CD2 4.05Å; V488-W538 HydrophobicContact CG2-CE3 4.41Å; V488-W538 HydrophobicContact CG2-CH2 4.03Å; V488-W538 HydrophobicContact CG2-CZ2 3.64Å; V488-W538 HydrophobicContact CG2-CZ3 4.4Å; V488-L727 HydrophobicContact CG2-CD2 4.44Å
489	L	80.7	Confident	71.3	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-79.3	-31.9	177.4	-71.2	173.4	0	0	0	112.8	L453 I456 L457 L485 K486 F495 R500 L536	L453-L489 HydrophobicContact CB-CD2 4.36Å; L453-L489 HydrophobicContact CD2-CD2 4.47Å; I456-L489 HydrophobicContact CB-CD1 4.3Å; I456-L489 HydrophobicContact CG2-CD1 3.84Å; L457-L489 HydrophobicContact CB-CB 4.13Å; L457-L489 HydrophobicContact CB-CD1 3.95Å; L457-L489 HydrophobicContact CD1-CB 4.1Å; L457-L489 HydrophobicContact CD2-CB 4.33Å; L457-L489 HydrophobicContact CG-CB 4.41Å; L485-L489 HydrophobicContact CD1-CD1 3.62Å; L485-L489 HydrophobicContact CD1-CG 4.25Å; L485-L489 HydrophobicContact CG-CD1 4.1Å; L485-L489 WeakPolarHBondContact O-CB 3.47Å; L485-L489 VanDerWaalsContact O-CG 3.24Å; L485-L489 WeakPolarHBondContact O-CG 3.45Å; L485-L489 PolarHBondContact O-N 3.29Å; L485-L489 VanDerWaalsContact O-N 3.11Å; K486-L489 CarbonylContact O-C 3.57Å; K486-L489 WeakPolarHBondContact O-CA 3.14Å; K486-L489 PolarHBondContact O-N 2.85Å; L489-F495 HydrophobicContact CB-CE1 4.15Å; L489-F495 HydrophobicContact CB-CZ 4.14Å; L489-F495 HydrophobicContact CD2-CE1 3.86Å; L489-F495 HydrophobicContact CD2-CZ 4.3Å; L489-F495 VanDerWaalsContact O-CE1 3.25Å; L489-F495 WeakPolarHBondContact O-CE1 3.29Å; L489-R500 PolarHBondContact O-NH1 2.69Å; L489-L536 HydrophobicContact CD2-CD1 4.03Å
490	E	80.3	Confident	71.2	Confident	59 Å²	59	47.4 Å²	47.4	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-82.8	-23	179	-68.8	-173.2	147.3	0	0	114.4	L457 R461 K486 Y492 G493	L457-E490 HydrophobicContact CD1-CG 3.56Å; L457-E490 HydrophobicContact CD2-CG 3.77Å; L457-E490 HydrophobicContact CG-CG 4.31Å; R461-E490 IonicContact CZ-OE1 2.77Å; R461-E490 IonicContact NE-OE1 2.74Å; R461-E490 PolarHBondContact NE-OE1 3.1Å; R461-E490 IonicContact NH2-OE1 3.39Å; R461-E490 PolarHBondContact NH2-OE1 2.93Å; K486-E490 WeakPolarHBondContact CE-OE2 3.13Å; K486-E490 HydrophobicContact CG-CG 4.2Å; K486-E490 VanDerWaalsContact CG-OE2 3.24Å; K486-E490 WeakPolarHBondContact CG-OE2 3.29Å; K486-E490 WeakPolarHBondContact O-CG 3.48Å; K486-E490 PolarHBondContact O-N 3.21Å; E490-Y492 PolarHBondContact O-N 2.84Å; E490-G493 WeakPolarHBondContact O-CA 3.45Å; E490-G493 PolarHBondContact O-N 3.04Å
491	M	69	Low	71.6	Confident	27 Å²	27	45.6 Å²	45.6	13%	0.133	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	133.3	175	169.6	173.2	46.8	0	0	111.5	N487 V488 G493 R500 L727	N487-M491 WeakPolarHBondContact O-CB 3.4Å; N487-M491 PolarHBondContact O-N 3.34Å; V488-M491 HydrophobicContact CG1-CE 4.32Å; M491-G493 PolarHBondContact O-N 3Å; M491-R500 PolarHBondContact O-NH1 3.18Å; M491-R500 PolarHBondContact O-NH2 2.77Å; M491-L727 HydrophobicContact CG-CD1 4.48Å; M491-L727 HydrophobicContact SD-CD1 3.75Å
492	Y	63.4	Low	72	Confident	80 Å²	80	42.5 Å²	42.5	31%	0.314	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	8.2	-172	-40.3	-45.6	0	0	0	116.3	E490 H494 I498 H721	E490-Y492 PolarHBondContact O-N 2.84Å; Y492-H494 PolarHBondContact O-N 2.89Å; Y492-H494 PolarHBondContact O-ND1 3.14Å; Y492-I498 HydrophobicContact CD2-CD1 3.64Å; Y492-I498 HydrophobicContact CD2-CG1 3.77Å; Y492-I498 HydrophobicContact CE2-CG1 4.37Å; Y492-I498 HydrophobicContact CG-CD1 4.31Å; Y492-H721 WeakPolarHBondContact CE1-O 3.39Å; Y492-H721 AromaticContact CZ-ND1 3.74Å; Y492-H721 VanDerWaalsContact CZ-O 3.3Å; Y492-H721 PolarHBondContact OH-ND1 2.98Å; Y492-H721 VanDerWaalsContact OH-ND1 3.16Å; Y492-H721 PolarHBondContact OH-O 2.92Å
493	G	58.7	Low	72.3	Confident	73 Å²	73	43.8 Å²	43.8	75%	0.753	25%	0.254	S	S	*	.	S	Bend	trans	72.2	-18.4	168.5	0	0	0	0	0	116.7	E490 M491	E490-G493 WeakPolarHBondContact O-CA 3.45Å; E490-G493 PolarHBondContact O-N 3.04Å; M491-G493 PolarHBondContact O-N 3Å
494	H	58.5	Low	72.8	Confident	114 Å²	114	41.1 Å²	41.1	53%	0.528	24%	0.241	S	C	.	.	S	Bend	trans	-157.4	155.8	-178	68.3	-50.3	0	0	0	112	Y492 S496 I498	Y492-H494 PolarHBondContact O-N 2.89Å; Y492-H494 PolarHBondContact O-ND1 3.14Å; H494-S496 VanDerWaalsContact C-N 3.3Å; H494-S496 PolarHBondContact CD2-OG 3.41Å; H494-S496 PolarHBondContact NE2-OG 2.92Å; H494-S496 PolarHBondContact O-N 3.39Å; H494-I498 WeakPolarHBondContact O-CD1 2.87Å
495	F	60.6	Low	73.3	Confident	28 Å²	28	44.9 Å²	44.9	12%	0.123	26%	0.257	C	S	.	.			trans	-85.1	31.9	-174.1	-64.3	-68.5	0	0	0	115.1	P450 L453 Q454 L457 L489	P450-F495 HydrophobicContact CB-CB 3.82Å; P450-F495 HydrophobicContact CG-CB 4.21Å; L453-F495 HydrophobicContact CB-CD1 3.84Å; L453-F495 HydrophobicContact CB-CD2 4.43Å; L453-F495 HydrophobicContact CB-CE1 3.59Å; L453-F495 HydrophobicContact CB-CE2 4.22Å; L453-F495 HydrophobicContact CB-CG 4.26Å; L453-F495 HydrophobicContact CB-CZ 3.79Å; L453-F495 HydrophobicContact CD1-CD1 3.97Å; L453-F495 HydrophobicContact CD1-CE1 4.29Å; Q454-F495 HydrophobicContact CB-CD2 4.36Å; Q454-F495 HydrophobicContact CB-CE2 3.88Å; L457-F495 HydrophobicContact CB-CZ 4.33Å; L457-F495 HydrophobicContact CD2-CE2 4.22Å; L457-F495 HydrophobicContact CD2-CZ 3.93Å; L489-F495 HydrophobicContact CB-CE1 4.15Å; L489-F495 HydrophobicContact CB-CZ 4.14Å; L489-F495 HydrophobicContact CD2-CE1 3.86Å; L489-F495 HydrophobicContact CD2-CZ 4.3Å; L489-F495 VanDerWaalsContact O-CE1 3.25Å; L489-F495 WeakPolarHBondContact O-CE1 3.29Å
496	S	44.9	Very low	73.4	Confident	68 Å²	68	48.4 Å²	48.4	48%	0.476	27%	0.271	S	S	.	.	S	Bend	trans	-88.8	138.9	176.9	88.8	0	0	0	0	111.4	H494 I498	H494-S496 VanDerWaalsContact C-N 3.3Å; H494-S496 PolarHBondContact CD2-OG 3.41Å; H494-S496 PolarHBondContact NE2-OG 2.92Å; H494-S496 PolarHBondContact O-N 3.39Å; S496-I498 WeakPolarHBondContact O-CD1 3.19Å; S496-I498 WeakPolarHBondContact O-CG1 3.38Å; S496-I498 PolarHBondContact O-N 3.44Å
497	G	50.2	Low	73.4	Confident	81 Å²	81	48.3 Å²	48.3	84%	0.835	27%	0.271	S	S	*	.	S	Bend	trans	69.7	-12.1	172.6	0	0	0	0	0	118.4
498	I	52.3	Low	73	Confident	36 Å²	36	49.6 Å²	49.6	19%	0.185	28%	0.283	C	S	.	.			trans	-95.7	136.3	-165	-58.9	140.5	0	0	0	113.3	Y492 H494 S496 R500 E541	Y492-I498 HydrophobicContact CD2-CD1 3.64Å; Y492-I498 HydrophobicContact CD2-CG1 3.77Å; Y492-I498 HydrophobicContact CE2-CG1 4.37Å; Y492-I498 HydrophobicContact CG-CD1 4.31Å; H494-I498 WeakPolarHBondContact O-CD1 2.87Å; S496-I498 WeakPolarHBondContact O-CD1 3.19Å; S496-I498 WeakPolarHBondContact O-CG1 3.38Å; S496-I498 PolarHBondContact O-N 3.44Å; I498-R500 HydrophobicContact CG2-CG 3.9Å; I498-R500 PolarHBondContact O-N 3.18Å; I498-E541 WeakPolarHBondContact CA-OE1 3.45Å; I498-E541 WeakPolarHBondContact CG2-OE1 3.45Å
499	N	64.4	Low	72.6	Confident	76 Å²	76	58 Å²	58	41%	0.406	32%	0.32	S	S	.	.			trans	-81.4	38.5	-174.5	-67.1	-90.9	0	0	0	114	E541	N499-E541 HydrophobicContact CB-CG 4.17Å; N499-E541 WeakPolarHBondContact CB-OE1 3.35Å; N499-E541 PolarHBondContact N-OE1 3.09Å; N499-E541 PolarHBondContact ND2-OE1 3.49Å
500	R	76.9	Confident	71.7	Confident	6 Å²	6	58.2 Å²	58.2	2%	0.023	32%	0.322	C	S	.	.			trans	-73.1	137.6	173.5	-77.5	163.9	-157.2	158.7	13.8	110.6	L453 V488 L489 M491 I498 K537 W538	L453-R500 HydrophobicContact CD1-CB 3.86Å; V488-R500 WeakPolarHBondContact O-CD 3.43Å; V488-R500 PolarHBondContact O-NE 3.26Å; V488-R500 PolarHBondContact O-NH1 3.18Å; L489-R500 PolarHBondContact O-NH1 2.69Å; M491-R500 PolarHBondContact O-NH1 3.18Å; M491-R500 PolarHBondContact O-NH2 2.77Å; I498-R500 HydrophobicContact CG2-CG 3.9Å; I498-R500 PolarHBondContact O-N 3.18Å; R500-K537 WeakPolarHBondContact CA-O 3.43Å; R500-W538 HydrophobicContact CG-CB 4.12Å
501	K	84.7	Confident	70.6	Confident	47 Å²	47	57.5 Å²	57.5	20%	0.204	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	124.3	172.4	-176.1	-167.4	171.5	-162	0	110.1	L447 K448 L536 K537	L447-K501 WeakPolarHBondContact O-CG 3.38Å; K448-K501 HydrophobicContact CG-CG 4.19Å; K501-L536 WeakPolarHBondContact O-CA 3.32Å; K501-K537 PolarHBondContact N-O 3.02Å; K501-K537 PolarHBondContact O-N 2.72Å
502	V	88.8	Confident	69.7	Low	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.8	164.6	176.1	0	0	0	0	108.2	L447 L453 I456 M504 L534 L536	L447-V502 HydrophobicContact CB-CB 4.26Å; L447-V502 PolarHBondContact N-O 3Å; L447-V502 PolarHBondContact O-N 2.73Å; L453-V502 HydrophobicContact CD2-CB 4.33Å; L453-V502 HydrophobicContact CD2-CG2 3.91Å; I456-V502 HydrophobicContact CD1-CG1 4.45Å; I456-V502 HydrophobicContact CG1-CG1 4.38Å; I456-V502 HydrophobicContact CG2-CG2 4.31Å; V502-M504 HydrophobicContact CG1-CG 4.29Å; V502-L534 HydrophobicContact CG1-CD1 4.22Å; V502-L534 HydrophobicContact CG1-CD2 4.12Å; V502-L534 HydrophobicContact CG1-CG 3.87Å; V502-L536 HydrophobicContact CG2-CB 4.46Å; V502-L536 HydrophobicContact CG2-CD1 3.65Å
503	Q	90.4	Very high	68.9	Low	30 Å²	30	63.9 Å²	63.9	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.4	170.2	170.3	163.8	-7.1	0	0	109.7	V445 K446 I535	V445-Q503 CarbonylContact O-C 3.5Å; V445-Q503 VanDerWaalsContact O-CA 3.24Å; V445-Q503 WeakPolarHBondContact O-CA 3.43Å; V445-Q503 WeakPolarHBondContact O-CG 3.31Å; K446-Q503 HydrophobicContact CG-CG 4.27Å; Q503-I535 HydrophobicContact CB-CB 4.45Å; Q503-I535 PolarHBondContact N-O 2.99Å; Q503-I535 WeakPolarHBondContact O-CA 3.32Å; Q503-I535 WeakPolarHBondContact O-CB 3.29Å; Q503-I535 PolarHBondContact O-N 3.47Å
504	M	92.6	Very high	68.2	Low	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141	174.8	-62.2	-172.9	-68.6	0	0	109.4	F430 I433 F434 H444 V445 L447 I456 V502 L532 V533 L534	F430-M504 HydrophobicContact CD1-SD 4.49Å; I433-M504 HydrophobicContact CB-CE 4.25Å; I433-M504 HydrophobicContact CG2-CE 3.7Å; F434-M504 HydrophobicContact CB-CE 4.18Å; F434-M504 HydrophobicContact CD2-CB 3.84Å; F434-M504 HydrophobicContact CD2-CE 4.27Å; F434-M504 HydrophobicContact CE2-CB 4.16Å; H444-M504 CarbonylContact C-O 3.52Å; H444-M504 WeakPolarHBondContact CA-O 3.37Å; H444-M504 WeakPolarHBondContact CB-O 3.37Å; V445-M504 HydrophobicContact CB-CE 4.44Å; V445-M504 PolarHBondContact N-O 3.18Å; V445-M504 PolarHBondContact O-N 3.16Å; L447-M504 HydrophobicContact CD1-CE 4.42Å; I456-M504 HydrophobicContact CD1-SD 4.42Å; V502-M504 HydrophobicContact CG1-CG 4.29Å; M504-L532 HydrophobicContact SD-CD1 4.46Å; M504-V533 WeakPolarHBondContact CA-O 3.49Å; M504-L534 HydrophobicContact CG-CB 4.36Å; M504-L534 HydrophobicContact CG-CD1 4.45Å; M504-L534 HydrophobicContact CG-CG 4.23Å; M504-L534 HydrophobicContact SD-CD1 4.37Å
505	K	90	Very high	67.5	Low	107 Å²	107	61.6 Å²	61.6	47%	0.465	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.6	172.4	-77.3	-169	166.6	-159.5	0	109.5	H444 L532 V533	H444-K505 HydrophobicContact CB-CG 4.06Å; K505-L532 WeakPolarHBondContact O-CA 3.39Å; K505-V533 PolarHBondContact N-O 3.4Å; K505-V533 PolarHBondContact O-N 2.66Å
506	Y	88.8	Confident	66.5	Low	75 Å²	75	62 Å²	62	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.1	176	-175.8	-125.3	0	0	0	111.6	F431 F434 Y440 G443 P508 P530 L532	F431-Y506 HydrophobicContact CE1-CD2 4.11Å; F431-Y506 AromaticContact CE1-CE2 3.95Å; F431-Y506 HydrophobicContact CE1-CE2 3.95Å; F434-Y506 HydrophobicContact CE1-CG 4.37Å; Y440-Y506 HydrophobicContact CD1-CD1 4.4Å; Y440-Y506 HydrophobicContact CD1-CE1 4.43Å; Y440-Y506 HydrophobicContact CE1-CD1 4.46Å; Y440-Y506 HydrophobicContact CE1-CD2 4.17Å; Y440-Y506 HydrophobicContact CE1-CE1 4.3Å; Y440-Y506 HydrophobicContact CE1-CE2 4Å; Y440-Y506 HydrophobicContact CE1-CG 4.4Å; G443-Y506 PolarHBondContact O-N 2.92Å; G443-Y506 VanDerWaalsContact O-N 3.15Å; Y506-P508 HydrophobicContact CD1-CG 3.86Å; Y506-P508 HydrophobicContact CE1-CB 4.05Å; Y506-P508 HydrophobicContact CE1-CG 3.63Å; Y506-P530 HydrophobicContact CE2-CB 3.86Å; Y506-L532 HydrophobicContact CD2-CD2 4.28Å
507	Q	84.3	Confident	66.4	Low	44 Å²	44	62.2 Å²	62.2	21%	0.206	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	100.2	174.7	-63.8	-163.2	120.4	0	0	109.9	K509 G510 R511 P530 S531 V533	Q507-K509 PolarHBondContact O-N 2.65Å; Q507-G510 WeakPolarHBondContact CB-O 3.44Å; Q507-G510 PolarHBondContact O-N 2.82Å; Q507-R511 VanDerWaalsContact NE2-CB 3.27Å; Q507-P530 WeakPolarHBondContact O-CA 3.47Å; Q507-S531 PolarHBondContact N-O 3.34Å; Q507-S531 PolarHBondContact O-N 2.67Å; Q507-S531 VanDerWaalsContact O-N 3.09Å; Q507-V533 HydrophobicContact CG-CG2 4.41Å
508	P	74.1	Confident	65.9	Low	88 Å²	88	61.8 Å²	61.8	57%	0.571	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-4.7	-173.7	-19.4	28.7	0	0	0	116.4	Y506	Y506-P508 HydrophobicContact CD1-CG 3.86Å; Y506-P508 HydrophobicContact CE1-CB 4.05Å; Y506-P508 HydrophobicContact CE1-CG 3.63Å
509	K	70.3	Confident	65.6	Low	178 Å²	178	63.9 Å²	63.9	77%	0.774	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.4	30.3	-176.1	-61.8	-172.7	175.7	-172.9	0	111.5	Q507 V528	Q507-K509 PolarHBondContact O-N 2.65Å; K509-V528 CarbonylContact C-O 3.36Å
510	G	62.4	Low	64.5	Low	5 Å²	5	65 Å²	65	5%	0.052	35%	0.353	C	S	.	.			trans	61.1	-170.3	-166.3	0	0	0	0	0	113.4	Q507 E529	Q507-G510 WeakPolarHBondContact CB-O 3.44Å; Q507-G510 PolarHBondContact O-N 2.82Å; G510-E529 WeakPolarHBondContact CA-O 3.33Å; G510-E529 PolarHBondContact N-O 2.93Å
511	R	57.6	Low	62.9	Low	45 Å²	45	70.6 Å²	70.6	17%	0.17	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-83.3	131.8	179	-172.4	175.6	178.6	-166.4	-4.1	112.8	E424 Q507 R513 S515 S516	E424-R511 WeakPolarHBondContact OE1-CB 3.14Å; E424-R511 PolarHBondContact OE1-N 3.05Å; E424-R511 WeakPolarHBondContact OE2-CB 3.34Å; E424-R511 WeakPolarHBondContact OE2-CD 3.45Å; E424-R511 IonicContact OE2-NH1 2.75Å; Q507-R511 VanDerWaalsContact NE2-CB 3.27Å; R511-R513 PolarHBondContact O-N 2.91Å; R511-S515 PolarHBondContact NH2-O 3.44Å; R511-S516 PolarHBondContact NH1-OG 3.17Å; R511-S516 PolarHBondContact NH2-OG 2.85Å
512	P	50.5	Low	60.9	Low	78 Å²	78	77.2 Å²	77.2	51%	0.506	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-66.7	132.1	174	27.3	-33.4	0	0	0	110.9
513	R	46.8	Very low	58.6	Low	163 Å²	163	80.3 Å²	80.3	62%	0.615	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	148.6	179	-73.4	-174.3	173.2	158.2	3.7	111.8	R511 N521 A523	R511-R513 PolarHBondContact O-N 2.91Å; R513-N521 PolarHBondContact NH2-O 2.85Å; R513-A523 PolarHBondContact NH1-O 2.91Å; R513-A523 PolarHBondContact NH2-O 3.01Å
514	G	43.7	Very low	56.5	Low	72 Å²	72	82.7 Å²	82.7	74%	0.742	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	-7.4	-176.4	0	0	0	0	0	114.5	S516	G514-S516 VanDerWaalsContact C-N 3.27Å; G514-S516 PolarHBondContact O-N 3.24Å
515	S	42.2	Very low	54.2	Low	67 Å²	67	90.5 Å²	90.5	47%	0.469	51%	0.512	S	S	.	.	S	Bend	trans	-84.9	12	175	-74.1	0	0	0	0	114.4	R511	R511-S515 PolarHBondContact NH2-O 3.44Å
516	S	41.5	Very low	52.2	Low	37 Å²	37	93.6 Å²	93.6	26%	0.259	53%	0.528	S	S	.	.			trans	-150.3	142.2	-174.4	-142.4	0	0	0	0	110.7	R511 G514 D518 D519	R511-S516 PolarHBondContact NH1-OG 3.17Å; R511-S516 PolarHBondContact NH2-OG 2.85Å; G514-S516 VanDerWaalsContact C-N 3.27Å; G514-S516 PolarHBondContact O-N 3.24Å; S516-D518 PolarHBondContact O-N 3.01Å; S516-D519 WeakPolarHBondContact CB-OD1 3.29Å; S516-D519 VanDerWaalsContact CB-OD2 3.27Å; S516-D519 WeakPolarHBondContact CB-OD2 3.42Å
517	S	42.9	Very low	50.2	Low	71 Å²	71	96.3 Å²	96.3	50%	0.497	56%	0.555	S	S	.	*	S	Bend	trans	-77.5	-9.1	169.6	46	0	0	0	0	113.4	K742	S517-K742 WeakPolarHBondContact O-CE 3.36Å; S517-K742 PolarHBondContact O-NZ 2.92Å
518	D	39.7	Very low	49	Very low	72 Å²	72	97.5 Å²	97.5	39%	0.385	57%	0.565	S	S	.	*			trans	-86.8	-18.1	-172.7	-111	22.9	0	0	0	114.5	K478 S516 T520	K478-D518 IonicContact NZ-OD2 3.53Å; K478-D518 PolarHBondContact NZ-OD2 2.75Å; S516-D518 PolarHBondContact O-N 3.01Å; D518-T520 PolarHBondContact O-N 3.31Å
519	D	44.1	Very low	48.7	Very low	81 Å²	81	99.8 Å²	99.8	43%	0.433	57%	0.568	S	S	.	*			trans	-83.6	111.4	-163.9	-52.1	-20.3	0	0	0	111.9	S516	S516-D519 WeakPolarHBondContact CB-OD1 3.29Å; S516-D519 VanDerWaalsContact CB-OD2 3.27Å; S516-D519 WeakPolarHBondContact CB-OD2 3.42Å
520	T	42.6	Very low	49.2	Very low	98 Å²	98	94.2 Å²	94.2	60%	0.601	55%	0.55	S	S	*	.			trans	-116.1	1.9	-175.3	50.8	0	0	0	0	115.6	D518 L522	D518-T520 PolarHBondContact O-N 3.31Å; T520-L522 PolarHBondContact O-N 3.19Å
521	N	43.3	Very low	50.3	Low	125 Å²	125	94 Å²	94	67%	0.668	55%	0.547	S	S	*	.			trans	-94.3	106	-168.5	-69.4	1.7	0	0	0	113	R513 A523	R513-N521 PolarHBondContact NH2-O 2.85Å; N521-A523 VanDerWaalsContact C-N 3.26Å; N521-A523 PolarHBondContact O-N 3.09Å
522	L	41.6	Very low	51.8	Low	186 Å²	186	91.8 Å²	91.8	97%	0.974	54%	0.539	S	S	*	.			trans	-80.8	52.2	-179.9	-70.8	167.3	0	0	0	113.7	T520	T520-L522 PolarHBondContact O-N 3.19Å
523	A	42.2	Very low	53.6	Low	65 Å²	65	88.7 Å²	88.7	54%	0.537	52%	0.519	S	S	.	.			trans	-119.4	116.6	172.9	0	0	0	0	0	110.1	R513 N521	R513-A523 PolarHBondContact NH1-O 2.91Å; R513-A523 PolarHBondContact NH2-O 3.01Å; N521-A523 VanDerWaalsContact C-N 3.26Å; N521-A523 PolarHBondContact O-N 3.09Å
524	A	45.9	Very low	55.7	Low	79 Å²	79	80.9 Å²	80.9	65%	0.653	49%	0.489	S	S	*	.			trans	-90.4	170.6	175.8	0	0	0	0	0	111.8
525	D	43.6	Very low	57.9	Low	165 Å²	165	78.7 Å²	78.7	88%	0.882	46%	0.46	S	S	*	.			trans	55.9	60.8	168.4	-61.2	-9.9	0	0	0	117.8
526	Q	47.2	Very low	60	Low	171 Å²	171	75.5 Å²	75.5	80%	0.799	44%	0.438	S	S	*	.			trans	-129.6	144.4	147.9	-71.4	-170.4	-8.2	0	0	110.7	V528	Q526-V528 PolarHBondContact O-N 2.98Å
527	P	47.1	Very low	62.2	Low	132 Å²	132	78.1 Å²	78.1	86%	0.857	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-66.2	118.1	171.6	-13.4	28.3	0	0	0	109.5
528	V	60.5	Low	64.1	Low	69 Å²	69	75.3 Å²	75.3	42%	0.418	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-81.5	129.1	179.5	-170.5	0	0	0	0	109.7	R426 K509 Q526	R426-V528 VanDerWaalsContact NH2-CG1 3.31Å; K509-V528 CarbonylContact C-O 3.36Å; Q526-V528 PolarHBondContact O-N 2.98Å
529	E	67.8	Low	66	Low	137 Å²	137	72.5 Å²	72.5	64%	0.64	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-55.2	150.3	176.6	-66.9	-165.4	156.8	0	0	112.8	G510 S531	G510-E529 WeakPolarHBondContact CA-O 3.33Å; G510-E529 PolarHBondContact N-O 2.93Å; E529-S531 PolarHBondContact O-N 3.35Å
530	P	79.8	Confident	67.8	Low	60 Å²	60	68.9 Å²	68.9	39%	0.39	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-61.7	134.3	-179	25.9	-35	0	0	0	111.3	F431 Y506 Q507	F431-P530 WeakPolarHBondContact CZ-O 3.37Å; Y506-P530 HydrophobicContact CE2-CB 3.86Å; Q507-P530 WeakPolarHBondContact O-CA 3.47Å
531	S	86.3	Confident	69.6	Low	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161.2	-177.1	72.4	0	0	0	0	113	E424 Q507 E529	E424-S531 VanDerWaalsContact OE1-CB 3.25Å; E424-S531 WeakPolarHBondContact OE1-CB 3.49Å; E424-S531 PolarHBondContact OE1-OG 2.73Å; Q507-S531 PolarHBondContact N-O 3.34Å; Q507-S531 PolarHBondContact O-N 2.67Å; Q507-S531 VanDerWaalsContact O-N 3.09Å; E529-S531 PolarHBondContact O-N 3.35Å
532	L	88.4	Confident	71.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.4	170.9	-71.6	167.6	0	0	0	109.6	E424 V425 F430 F431 F434 M504 K505 Y506	E424-L532 WeakPolarHBondContact CA-O 3.43Å; V425-L532 HydrophobicContact CG2-CB 3.76Å; V425-L532 PolarHBondContact N-O 2.98Å; V425-L532 PolarHBondContact O-N 3.11Å; F430-L532 HydrophobicContact CB-CD1 3.9Å; F430-L532 WeakPolarHBondContact O-CD1 3.41Å; F431-L532 HydrophobicContact CB-CD1 4.47Å; F431-L532 HydrophobicContact CD1-CD1 3.65Å; F431-L532 HydrophobicContact CD1-CD2 4.49Å; F431-L532 HydrophobicContact CD1-CG 3.93Å; F431-L532 HydrophobicContact CD2-CD1 4.1Å; F431-L532 HydrophobicContact CE1-CD1 3.83Å; F431-L532 HydrophobicContact CE1-CD2 4.28Å; F431-L532 HydrophobicContact CE1-CG 3.6Å; F431-L532 HydrophobicContact CE2-CD1 4.27Å; F431-L532 HydrophobicContact CE2-CG 4.45Å; F431-L532 HydrophobicContact CG-CD1 3.8Å; F431-L532 HydrophobicContact CG-CG 4.49Å; F431-L532 HydrophobicContact CZ-CD1 4.15Å; F431-L532 HydrophobicContact CZ-CG 3.9Å; F434-L532 HydrophobicContact CB-CD1 4.03Å; F434-L532 HydrophobicContact CB-CD2 4.29Å; F434-L532 HydrophobicContact CD1-CD2 4.1Å; F434-L532 HydrophobicContact CD2-CD2 3.5Å; F434-L532 VanDerWaalsContact CD2-CD2 3.5Å; F434-L532 HydrophobicContact CE1-CD2 4.29Å; F434-L532 HydrophobicContact CE2-CD2 3.73Å; F434-L532 HydrophobicContact CG-CD1 4.35Å; F434-L532 HydrophobicContact CG-CD2 3.71Å; F434-L532 HydrophobicContact CZ-CD2 4.13Å; M504-L532 HydrophobicContact SD-CD1 4.46Å; K505-L532 WeakPolarHBondContact O-CA 3.39Å; Y506-L532 HydrophobicContact CD2-CD2 4.28Å
533	V	89.1	Confident	73.9	Confident	12 Å²	12	51.7 Å²	51.7	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.3	165.7	176.8	0	0	0	0	108.4	K422 M504 K505 Q507 I535	K422-V533 HydrophobicContact CB-CG1 4.46Å; M504-V533 WeakPolarHBondContact CA-O 3.49Å; K505-V533 PolarHBondContact N-O 3.4Å; K505-V533 PolarHBondContact O-N 2.66Å; Q507-V533 HydrophobicContact CG-CG2 4.41Å; V533-I535 HydrophobicContact CG1-CD1 4.26Å; V533-I535 HydrophobicContact CG1-CG1 3.85Å
534	L	90.1	Very high	75.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.3	173.7	-172.3	155.9	0	0	0	109.2	K422 V423 V425 F430 I456 L485 V502 M504 L536	K422-L534 WeakPolarHBondContact CA-O 3.5Å; V423-L534 HydrophobicContact CG1-CB 3.96Å; V423-L534 HydrophobicContact CG1-CD2 3.97Å; V423-L534 HydrophobicContact CG1-CG 4.48Å; V423-L534 PolarHBondContact N-O 3.08Å; V423-L534 PolarHBondContact O-N 2.97Å; V425-L534 HydrophobicContact CG1-CB 4.37Å; V425-L534 HydrophobicContact CG2-CB 4.24Å; F430-L534 HydrophobicContact CD1-CD1 3.85Å; F430-L534 HydrophobicContact CE1-CD1 3.61Å; F430-L534 HydrophobicContact CZ-CD1 4.35Å; I456-L534 HydrophobicContact CG2-CD1 4.38Å; L485-L534 HydrophobicContact CD1-CD2 4.19Å; L485-L534 HydrophobicContact CD2-CD1 4.46Å; V502-L534 HydrophobicContact CG1-CD1 4.22Å; V502-L534 HydrophobicContact CG1-CD2 4.12Å; V502-L534 HydrophobicContact CG1-CG 3.87Å; M504-L534 HydrophobicContact CG-CB 4.36Å; M504-L534 HydrophobicContact CG-CD1 4.45Å; M504-L534 HydrophobicContact CG-CG 4.23Å; M504-L534 HydrophobicContact SD-CD1 4.37Å; L534-L536 HydrophobicContact CD2-CB 4.33Å
535	I	89.4	Confident	77.8	Confident	25 Å²	25	49.3 Å²	49.3	13%	0.128	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	95.1	-176.6	-48.6	178.5	0	0	0	108.3	M421 K422 Q503 V533 K537	M421-I535 WeakPolarHBondContact O-CA 3.43Å; K422-I535 HydrophobicContact CG-CG1 4.33Å; K422-I535 HydrophobicContact CG-CG2 4.44Å; Q503-I535 HydrophobicContact CB-CB 4.45Å; Q503-I535 PolarHBondContact N-O 2.99Å; Q503-I535 WeakPolarHBondContact O-CA 3.32Å; Q503-I535 WeakPolarHBondContact O-CB 3.29Å; Q503-I535 PolarHBondContact O-N 3.47Å; V533-I535 HydrophobicContact CG1-CD1 4.26Å; V533-I535 HydrophobicContact CG1-CG1 3.85Å; I535-K537 HydrophobicContact CG2-CG 4.28Å
536	L	87.6	Confident	79.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.8	170.5	173.7	70.9	0	0	0	109.6	M421 L485 V488 L489 K501 V502 L534 W538	M421-L536 HydrophobicContact CG-CB 3.77Å; M421-L536 HydrophobicContact CG-CD2 4.43Å; M421-L536 PolarHBondContact N-O 2.94Å; M421-L536 PolarHBondContact O-N 2.99Å; M421-L536 HydrophobicContact SD-CB 3.97Å; M421-L536 HydrophobicContact SD-CD2 3.6Å; M421-L536 HydrophobicContact SD-CG 4.3Å; L485-L536 HydrophobicContact CD1-CB 4.36Å; L485-L536 HydrophobicContact CD1-CD2 3.72Å; L485-L536 HydrophobicContact CD1-CG 4.49Å; V488-L536 HydrophobicContact CB-CD2 3.7Å; V488-L536 HydrophobicContact CG1-CD1 4.47Å; V488-L536 HydrophobicContact CG1-CD2 3.42Å; V488-L536 VanDerWaalsContact CG1-CD2 3.42Å; V488-L536 HydrophobicContact CG1-CG 4.12Å; V488-L536 HydrophobicContact CG2-CD2 4.47Å; L489-L536 HydrophobicContact CD2-CD1 4.03Å; K501-L536 WeakPolarHBondContact O-CA 3.32Å; V502-L536 HydrophobicContact CG2-CB 4.46Å; V502-L536 HydrophobicContact CG2-CD1 3.65Å; L534-L536 HydrophobicContact CD2-CB 4.33Å; L536-W538 HydrophobicContact CD2-CE3 4.2Å; L536-W538 HydrophobicContact CD2-CZ3 4.28Å; L536-W538 HydrophobicContact CG-CE3 3.95Å; L536-W538 HydrophobicContact CG-CZ3 4.25Å
537	K	86.1	Confident	81.8	Confident	92 Å²	92	37.4 Å²	37.4	40%	0.4	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139	173.8	-59.9	-171.2	179.1	-169	0	109.8	Q419 K420 R500 K501 I535	Q419-K537 WeakPolarHBondContact O-CA 3.25Å; K420-K537 HydrophobicContact CB-CG 4.31Å; R500-K537 WeakPolarHBondContact CA-O 3.43Å; K501-K537 PolarHBondContact N-O 3.02Å; K501-K537 PolarHBondContact O-N 2.72Å; I535-K537 HydrophobicContact CG2-CG 4.28Å
538	W	84	Confident	83.7	Confident	12 Å²	12	36.3 Å²	36.3	5%	0.045	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	172.8	-178.7	70.1	102.2	0	0	0	110.7	Q419 M421 V488 R500 L536	Q419-W538 HydrophobicContact CB-CD2 3.68Å; Q419-W538 HydrophobicContact CB-CE3 4.13Å; Q419-W538 HydrophobicContact CB-CG 4.23Å; Q419-W538 HydrophobicContact CB-CH2 4.04Å; Q419-W538 HydrophobicContact CB-CZ2 3.55Å; Q419-W538 HydrophobicContact CB-CZ3 4.31Å; Q419-W538 HydrophobicContact CG-CZ2 4.26Å; Q419-W538 PolarHBondContact N-O 3.14Å; Q419-W538 PolarHBondContact O-N 3.42Å; Q419-W538 VanDerWaalsContact OE1-CZ2 3.22Å; M421-W538 HydrophobicContact CB-CH2 4.13Å; M421-W538 HydrophobicContact CB-CZ3 3.96Å; M421-W538 HydrophobicContact CG-CH2 4.37Å; M421-W538 HydrophobicContact CG-CZ3 3.85Å; M421-W538 HydrophobicContact SD-CH2 4.27Å; M421-W538 HydrophobicContact SD-CZ3 4.01Å; V488-W538 HydrophobicContact CB-CD2 4.43Å; V488-W538 HydrophobicContact CG1-CB 3.87Å; V488-W538 HydrophobicContact CG1-CD2 3.45Å; V488-W538 VanDerWaalsContact CG1-CD2 3.45Å; V488-W538 HydrophobicContact CG1-CE3 3.76Å; V488-W538 HydrophobicContact CG1-CG 3.52Å; V488-W538 HydrophobicContact CG1-CZ3 4.42Å; V488-W538 HydrophobicContact CG2-CD2 4.05Å; V488-W538 HydrophobicContact CG2-CE3 4.41Å; V488-W538 HydrophobicContact CG2-CH2 4.03Å; V488-W538 HydrophobicContact CG2-CZ2 3.64Å; V488-W538 HydrophobicContact CG2-CZ3 4.4Å; R500-W538 HydrophobicContact CG-CB 4.12Å; L536-W538 HydrophobicContact CD2-CE3 4.2Å; L536-W538 HydrophobicContact CD2-CZ3 4.28Å; L536-W538 HydrophobicContact CG-CE3 3.95Å; L536-W538 HydrophobicContact CG-CZ3 4.25Å
539	G	79	Confident	85	Confident	14 Å²	14	34.5 Å²	34.5	14%	0.144	18%	0.181	C	C	.	.			trans	67.3	-169.5	-171	0	0	0	0	0	112.3
540	G	81.3	Confident	86.1	Confident	5 Å²	5	28 Å²	28	5%	0.052	15%	0.15	C	C	.	.			trans	74.5	31.1	-166.7	0	0	0	0	0	112.4	T416 R598	T416-G540 WeakPolarHBondContact O-CA 3.3Å; T416-G540 PolarHBondContact O-N 2.88Å; T416-G540 PolarHBondContact OG1-N 2.94Å; G540-R598 WeakPolarHBondContact O-CD 3.28Å
541	E	82.4	Confident	86.4	Confident	19 Å²	19	27.3 Å²	27.3	9%	0.089	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-101.2	138.2	-176.2	-48.3	-163.3	112	0	0	109.5	R415 T416 I498 N499 T543	R415-E541 CarbonylContact C-O 3.54Å; R415-E541 WeakPolarHBondContact CA-O 3.5Å; R415-E541 VanDerWaalsContact CB-O 3.27Å; R415-E541 WeakPolarHBondContact CB-O 3.22Å; T416-E541 PolarHBondContact N-O 2.84Å; T416-E541 PolarHBondContact OG1-N 3.37Å; I498-E541 WeakPolarHBondContact CA-OE1 3.45Å; I498-E541 WeakPolarHBondContact CG2-OE1 3.45Å; N499-E541 HydrophobicContact CB-CG 4.17Å; N499-E541 WeakPolarHBondContact CB-OE1 3.35Å; N499-E541 PolarHBondContact N-OE1 3.09Å; N499-E541 PolarHBondContact ND2-OE1 3.49Å; E541-T543 PolarHBondContact O-N 3.28Å
542	L	86.5	Confident	86.3	Confident	27 Å²	27	29.5 Å²	29.5	14%	0.141	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-64.7	122.8	-179.7	-168.4	78.2	0	0	0	109.5	D414 R547 R598 M601 T602	D414-L542 WeakPolarHBondContact O-CD1 3.48Å; L542-R547 HydrophobicContact CD2-CB 4.38Å; L542-R598 HydrophobicContact CB-CB 4.06Å; L542-M601 HydrophobicContact CB-CB 4.46Å; L542-M601 HydrophobicContact CD2-CB 3.72Å; L542-T602 VanDerWaalsContact CD1-OG1 3.31Å; L542-T602 WeakPolarHBondContact CD1-OG1 3.47Å
543	T	86.9	Confident	86.1	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-72.9	161.9	179.2	64	0	0	0	0	111	D414 T416 E541 A545 G546 R547 Y720 Y760	D414-T543 PolarHBondContact O-N 3.16Å; D414-T543 PolarHBondContact O-OG1 3Å; D414-T543 WeakPolarHBondContact OD2-CB 3.29Å; D414-T543 WeakPolarHBondContact OD2-CG2 3.42Å; D414-T543 PolarHBondContact OD2-OG1 2.95Å; T416-T543 HydrophobicContact CG2-CG2 4.11Å; E541-T543 PolarHBondContact O-N 3.28Å; T543-A545 PolarHBondContact O-N 2.91Å; T543-A545 PolarHBondContact OG1-N 3.3Å; T543-G546 WeakPolarHBondContact O-CA 3.46Å; T543-G546 PolarHBondContact O-N 3.06Å; T543-G546 PolarHBondContact OG1-N 2.85Å; T543-R547 PolarHBondContact O-N 3.25Å; T543-Y720 HydrophobicContact CG2-CE1 4.01Å; T543-Y760 HydrophobicContact CG2-CE2 4.5Å
544	P	84.4	Confident	85.9	Confident	66 Å²	66	29.9 Å²	29.9	43%	0.429	15%	0.154	S	C	.	.	H	α-helix	trans	-50.5	-38.3	163.8	-29.2	35.3	0	0	0	112.9	R547 I548 Y720	P544-R547 PolarHBondContact O-N 3.38Å; P544-I548 WeakPolarHBondContact O-CG1 3.42Å; P544-I548 PolarHBondContact O-N 2.93Å; P544-I548 VanDerWaalsContact O-N 3.1Å; P544-Y720 WeakPolarHBondContact CD-OH 3.48Å
545	A	85.9	Confident	85.3	Confident	28 Å²	28	34 Å²	34	23%	0.231	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-43.5	173.8	0	0	0	0	0	112.1	T543 R547 I548 Q549	T543-A545 PolarHBondContact O-N 2.91Å; T543-A545 PolarHBondContact OG1-N 3.3Å; A545-R547 VanDerWaalsContact C-N 3.32Å; A545-R547 PolarHBondContact O-N 3.06Å; A545-I548 PolarHBondContact O-N 3.06Å; A545-I548 VanDerWaalsContact O-N 3.15Å; A545-Q549 VanDerWaalsContact O-CG 3.3Å; A545-Q549 WeakPolarHBondContact O-CG 3.47Å; A545-Q549 PolarHBondContact O-N 2.95Å
546	G	88.3	Confident	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-34	175.5	0	0	0	0	0	113.7	T543 A550	T543-G546 WeakPolarHBondContact O-CA 3.46Å; T543-G546 PolarHBondContact O-N 3.06Å; T543-G546 PolarHBondContact OG1-N 2.85Å; G546-A550 WeakPolarHBondContact O-CB 3.32Å; G546-A550 PolarHBondContact O-N 3.4Å
547	R	87.1	Confident	84.4	Confident	86 Å²	86	36.5 Å²	36.5	33%	0.325	18%	0.182	S	C	.	.	H	α-helix	trans	-63.7	-46	170.4	-174.2	-173.3	-76.2	-163.8	-2.2	111.2	L542 T543 P544 A545 A550 E551 A605	L542-R547 HydrophobicContact CD2-CB 4.38Å; T543-R547 PolarHBondContact O-N 3.25Å; P544-R547 PolarHBondContact O-N 3.38Å; A545-R547 VanDerWaalsContact C-N 3.32Å; A545-R547 PolarHBondContact O-N 3.06Å; R547-A550 PolarHBondContact O-N 2.64Å; R547-E551 PolarHBondContact O-N 2.87Å; R547-A605 HydrophobicContact CG-CB 3.81Å
548	I	86.3	Confident	83.8	Confident	110 Å²	110	33.1 Å²	33.1	56%	0.564	17%	0.167	S	C	*	.	H	α-helix	trans	-65.9	-44.4	179.3	-66.2	164.8	0	0	0	111.1	P544 A545 A550 E551 E552	P544-I548 WeakPolarHBondContact O-CG1 3.42Å; P544-I548 PolarHBondContact O-N 2.93Å; P544-I548 VanDerWaalsContact O-N 3.1Å; A545-I548 PolarHBondContact O-N 3.06Å; A545-I548 VanDerWaalsContact O-N 3.15Å; I548-A550 VanDerWaalsContact C-N 3.26Å; I548-A550 PolarHBondContact O-N 2.95Å; I548-E551 PolarHBondContact O-N 3.12Å; I548-E552 VanDerWaalsContact O-CB 3.29Å; I548-E552 WeakPolarHBondContact O-CB 3.45Å; I548-E552 PolarHBondContact O-N 3.29Å
549	Q	88.6	Confident	83.1	Confident	30 Å²	30	35.3 Å²	35.3	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-54.5	-42.1	174.8	-73.6	170.4	-5.7	0	0	112.2	A545 L553 M898 V929	A545-Q549 VanDerWaalsContact O-CG 3.3Å; A545-Q549 WeakPolarHBondContact O-CG 3.47Å; A545-Q549 PolarHBondContact O-N 2.95Å; Q549-L553 WeakPolarHBondContact O-CB 3.35Å; Q549-L553 PolarHBondContact O-N 3.39Å; Q549-M898 HydrophobicContact CB-CG 3.91Å; Q549-V929 HydrophobicContact CG-CG2 4.21Å
550	A	90.5	Very high	82.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.7	-45.9	178.3	0	0	0	0	0	112.4	G546 R547 I548 E552 L553 G554 T602 A605 F606 M898	G546-A550 WeakPolarHBondContact O-CB 3.32Å; G546-A550 PolarHBondContact O-N 3.4Å; R547-A550 PolarHBondContact O-N 2.64Å; I548-A550 VanDerWaalsContact C-N 3.26Å; I548-A550 PolarHBondContact O-N 2.95Å; A550-E552 VanDerWaalsContact C-N 3.33Å; A550-E552 PolarHBondContact O-N 2.96Å; A550-L553 PolarHBondContact O-N 2.8Å; A550-G554 PolarHBondContact O-N 2.83Å; A550-T602 HydrophobicContact CB-CG2 3.72Å; A550-T602 WeakPolarHBondContact CB-O 3.31Å; A550-A605 HydrophobicContact CB-CB 3.78Å; A550-F606 HydrophobicContact CB-CB 4.36Å; A550-F606 VanDerWaalsContact O-CA 3.31Å; A550-F606 WeakPolarHBondContact O-CA 3.35Å; A550-M898 HydrophobicContact CB-CE 4.07Å; A550-M898 HydrophobicContact CB-SD 4.06Å
551	E	85.6	Confident	81.8	Confident	47 Å²	47	36.3 Å²	36.3	22%	0.22	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-37.3	177.6	-170.2	174.8	152.5	0	0	112.2	R547 I548 R555 A605 K608 G609	R547-E551 PolarHBondContact O-N 2.87Å; I548-E551 PolarHBondContact O-N 3.12Å; E551-R555 WeakPolarHBondContact O-CB 3.48Å; E551-R555 PolarHBondContact O-N 2.95Å; E551-A605 VanDerWaalsContact CA-O 3.32Å; E551-A605 WeakPolarHBondContact CA-O 3.17Å; E551-K608 VanDerWaalsContact CD-CE 3.5Å; E551-K608 HydrophobicContact CG-CD 4.47Å; E551-K608 VanDerWaalsContact OE1-CE 3.23Å; E551-K608 WeakPolarHBondContact OE1-CE 3.44Å; E551-K608 IonicContact OE1-NZ 2.84Å; E551-K608 PolarHBondContact OE1-NZ 3.35Å; E551-K608 WeakPolarHBondContact OE2-CD 3.46Å; E551-K608 WeakPolarHBondContact OE2-CE 3.49Å; E551-K608 IonicContact OE2-NZ 3.57Å; E551-K608 PolarHBondContact OE2-NZ 2.95Å; E551-G609 WeakPolarHBondContact O-CA 3.39Å
552	E	84.3	Confident	80.5	Confident	45 Å²	45	36.6 Å²	36.6	21%	0.21	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-53.7	172.5	-170.6	61.1	-132.2	0	0	111.3	I548 A550 G554 R555 I556 L1117	I548-E552 VanDerWaalsContact O-CB 3.29Å; I548-E552 WeakPolarHBondContact O-CB 3.45Å; I548-E552 PolarHBondContact O-N 3.29Å; A550-E552 VanDerWaalsContact C-N 3.33Å; A550-E552 PolarHBondContact O-N 2.96Å; E552-G554 VanDerWaalsContact C-N 3.3Å; E552-G554 PolarHBondContact O-N 2.85Å; E552-R555 PolarHBondContact O-N 3.39Å; E552-R555 VanDerWaalsContact O-N 3.15Å; E552-R555 IonicContact OE1-CZ 2.98Å; E552-R555 IonicContact OE1-NH1 3.33Å; E552-R555 PolarHBondContact OE1-NH1 3.17Å; E552-R555 IonicContact OE1-NH2 3.68Å; E552-R555 IonicContact OE2-CZ 2.67Å; E552-R555 VanDerWaalsContact OE2-CZ 3.23Å; E552-R555 IonicContact OE2-NH1 2.63Å; E552-R555 PolarHBondContact OE2-NH1 3.37Å; E552-R555 IonicContact OE2-NH2 3.6Å; E552-R555 PolarHBondContact OE2-NH2 3.11Å; E552-I556 HydrophobicContact CG-CD1 4.15Å; E552-I556 WeakPolarHBondContact O-CG1 3.33Å; E552-I556 PolarHBondContact O-N 3.4Å; E552-L1117 HydrophobicContact CG-CD2 3.8Å
553	L	85.4	Confident	78.8	Confident	21 Å²	21	36.6 Å²	36.6	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-39.5	179.2	-172.1	70.5	0	0	0	111.6	I410 Q549 A550 R555 I556 F557 F606 M898	I410-L553 HydrophobicContact CG2-CD2 4.2Å; Q549-L553 WeakPolarHBondContact O-CB 3.35Å; Q549-L553 PolarHBondContact O-N 3.39Å; A550-L553 PolarHBondContact O-N 2.8Å; L553-R555 VanDerWaalsContact C-N 3.34Å; L553-R555 PolarHBondContact O-N 3.5Å; L553-I556 PolarHBondContact O-N 2.86Å; L553-F557 HydrophobicContact CD1-CD2 4.12Å; L553-F557 HydrophobicContact CD1-CE2 4.15Å; L553-F557 HydrophobicContact CD2-CD2 4.44Å; L553-F557 HydrophobicContact CD2-CE2 4.08Å; L553-F557 HydrophobicContact CG-CD2 3.89Å; L553-F557 HydrophobicContact CG-CE2 3.99Å; L553-F557 WeakPolarHBondContact O-CB 3.32Å; L553-F557 PolarHBondContact O-N 3.42Å; L553-F606 HydrophobicContact CB-CD2 4.21Å; L553-F606 HydrophobicContact CB-CE2 4.19Å; L553-F606 HydrophobicContact CD2-CD2 4.22Å; L553-F606 HydrophobicContact CD2-CE2 3.81Å; L553-F606 HydrophobicContact CG-CD2 4.29Å; L553-F606 HydrophobicContact CG-CE2 3.81Å; L553-M898 HydrophobicContact CB-CE 4.2Å; L553-M898 HydrophobicContact CD2-CB 4.14Å; L553-M898 HydrophobicContact CD2-CE 3.64Å
554	G	84.9	Confident	76.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-45	175	0	0	0	0	0	112	A550 E552 F557 R558 L610	A550-G554 PolarHBondContact O-N 2.83Å; E552-G554 VanDerWaalsContact C-N 3.3Å; E552-G554 PolarHBondContact O-N 2.85Å; G554-F557 WeakPolarHBondContact O-CB 3.15Å; G554-F557 PolarHBondContact O-N 3.46Å; G554-R558 WeakPolarHBondContact O-CG 3.45Å; G554-R558 PolarHBondContact O-N 2.81Å; G554-L610 VanDerWaalsContact O-CA 3.31Å; G554-L610 WeakPolarHBondContact O-CA 3.47Å
555	R	77.1	Confident	75	Confident	87 Å²	87	42.6 Å²	42.6	33%	0.328	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-37.3	176.2	166.9	155.5	40.8	66.8	6.6	112.7	E551 E552 L553 R558	E551-R555 WeakPolarHBondContact O-CB 3.48Å; E551-R555 PolarHBondContact O-N 2.95Å; E552-R555 PolarHBondContact O-N 3.39Å; E552-R555 VanDerWaalsContact O-N 3.15Å; E552-R555 IonicContact OE1-CZ 2.98Å; E552-R555 IonicContact OE1-NH1 3.33Å; E552-R555 PolarHBondContact OE1-NH1 3.17Å; E552-R555 IonicContact OE1-NH2 3.68Å; E552-R555 IonicContact OE2-CZ 2.67Å; E552-R555 VanDerWaalsContact OE2-CZ 3.23Å; E552-R555 IonicContact OE2-NH1 2.63Å; E552-R555 PolarHBondContact OE2-NH1 3.37Å; E552-R555 IonicContact OE2-NH2 3.6Å; E552-R555 PolarHBondContact OE2-NH2 3.11Å; L553-R555 VanDerWaalsContact C-N 3.34Å; L553-R555 PolarHBondContact O-N 3.5Å; R555-R558 WeakPolarHBondContact O-CB 3.42Å; R555-R558 WeakPolarHBondContact O-CG 3.11Å; R555-R558 PolarHBondContact O-NE 3.14Å
556	I	78.5	Confident	72.7	Confident	73 Å²	73	43.2 Å²	43.2	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-67.3	-42.1	173.4	-65.5	165.9	0	0	0	111.1	E552 L553 R558 C559 L1117	E552-I556 HydrophobicContact CG-CD1 4.15Å; E552-I556 WeakPolarHBondContact O-CG1 3.33Å; E552-I556 PolarHBondContact O-N 3.4Å; L553-I556 PolarHBondContact O-N 2.86Å; I556-R558 PolarHBondContact O-N 2.79Å; I556-R558 VanDerWaalsContact O-N 3.12Å; I556-C559 WeakPolarHBondContact O-CB 3.36Å; I556-C559 PolarHBondContact O-N 3.39Å; I556-L1117 HydrophobicContact CD1-CD2 3.77Å
557	F	80.3	Confident	70.2	Confident	3 Å²	3	55.3 Å²	55.3	1%	0.013	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-28.6	178.8	-108.4	-114.9	0	0	0	113.3	A408 I410 L553 G554 C559 M560 Y561 F606 L610 L853 Q900 V902	A408-F557 HydrophobicContact CB-CE1 3.73Å; A408-F557 HydrophobicContact CB-CZ 3.98Å; I410-F557 HydrophobicContact CD1-CE1 4.31Å; I410-F557 HydrophobicContact CD1-CE2 4.44Å; I410-F557 HydrophobicContact CD1-CZ 3.91Å; L553-F557 HydrophobicContact CD1-CD2 4.12Å; L553-F557 HydrophobicContact CD1-CE2 4.15Å; L553-F557 HydrophobicContact CD2-CD2 4.44Å; L553-F557 HydrophobicContact CD2-CE2 4.08Å; L553-F557 HydrophobicContact CG-CD2 3.89Å; L553-F557 HydrophobicContact CG-CE2 3.99Å; L553-F557 WeakPolarHBondContact O-CB 3.32Å; L553-F557 PolarHBondContact O-N 3.42Å; G554-F557 WeakPolarHBondContact O-CB 3.15Å; G554-F557 PolarHBondContact O-N 3.46Å; F557-C559 PolarHBondContact O-N 2.79Å; F557-M560 HydrophobicContact CB-CE 4.46Å; F557-M560 HydrophobicContact CD1-CE 3.31Å; F557-M560 HydrophobicContact CD2-CE 4.06Å; F557-M560 HydrophobicContact CE1-CE 3.43Å; F557-M560 VanDerWaalsContact CE1-CE 3.43Å; F557-M560 HydrophobicContact CE2-CE 4.15Å; F557-M560 HydrophobicContact CG-CE 3.66Å; F557-M560 HydrophobicContact CZ-CE 3.87Å; F557-M560 WeakPolarHBondContact O-CB 3.38Å; F557-M560 PolarHBondContact O-N 2.68Å; F557-M560 VanDerWaalsContact O-N 3.14Å; F557-Y561 WeakPolarHBondContact O-CD2 3.37Å; F557-F606 HydrophobicContact CB-CE1 4.5Å; F557-F606 HydrophobicContact CB-CE2 4.44Å; F557-F606 HydrophobicContact CB-CZ 3.79Å; F557-F606 HydrophobicContact CD1-CE1 4.44Å; F557-F606 HydrophobicContact CD1-CE2 4.47Å; F557-F606 AromaticContact CD1-CZ 3.6Å; F557-F606 HydrophobicContact CD1-CZ 3.6Å; F557-F606 AromaticContact CD2-CE2 3.86Å; F557-F606 HydrophobicContact CD2-CE2 3.86Å; F557-F606 AromaticContact CD2-CZ 3.76Å; F557-F606 HydrophobicContact CD2-CZ 3.76Å; F557-F606 HydrophobicContact CE1-CZ 4Å; F557-F606 HydrophobicContact CE2-CE2 4.13Å; F557-F606 HydrophobicContact CE2-CZ 4.15Å; F557-F606 HydrophobicContact CG-CE1 4.46Å; F557-F606 HydrophobicContact CG-CE2 4.04Å; F557-F606 AromaticContact CG-CZ 3.45Å; F557-F606 HydrophobicContact CG-CZ 3.45Å; F557-F606 VanDerWaalsContact CG-CZ 3.45Å; F557-F606 HydrophobicContact CZ-CZ 4.26Å; F557-L610 HydrophobicContact CB-CD1 3.78Å; F557-L853 HydrophobicContact CE1-CD2 4.41Å; F557-Q900 HydrophobicContact CE2-CG 4.24Å; F557-Q900 HydrophobicContact CZ-CG 4.41Å; F557-V902 HydrophobicContact CE1-CG2 4.21Å; F557-V902 HydrophobicContact CZ-CG2 3.68Å
558	R	73.1	Confident	67.8	Low	22 Å²	22	55.4 Å²	55.4	8%	0.083	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-57.4	-36.6	174.3	-52.4	-168.9	-60.6	-150.7	19.7	112.4	G554 R555 I556 M560 Y561 L578 G609 L610	G554-R558 WeakPolarHBondContact O-CG 3.45Å; G554-R558 PolarHBondContact O-N 2.81Å; R555-R558 WeakPolarHBondContact O-CB 3.42Å; R555-R558 WeakPolarHBondContact O-CG 3.11Å; R555-R558 PolarHBondContact O-NE 3.14Å; I556-R558 PolarHBondContact O-N 2.79Å; I556-R558 VanDerWaalsContact O-N 3.12Å; R558-M560 PolarHBondContact O-N 2.84Å; R558-Y561 PolarHBondContact O-N 3.37Å; R558-Y561 VanDerWaalsContact O-N 3.14Å; R558-L578 HydrophobicContact CB-CD2 4.42Å; R558-L578 HydrophobicContact CG-CD2 4.21Å; R558-G609 WeakPolarHBondContact CD-O 3.37Å; R558-G609 PolarHBondContact NH1-O 3.33Å; R558-L610 WeakPolarHBondContact CD-O 3.34Å; R558-L610 HydrophobicContact CG-CD1 4.37Å; R558-L610 VanDerWaalsContact CG-O 3.23Å; R558-L610 WeakPolarHBondContact CG-O 3.38Å
559	C	68	Low	65.3	Low	57 Å²	57	54.4 Å²	54.4	39%	0.385	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-74.4	-10.2	-178.4	-60.8	0	0	0	0	113.5	I556 F557 Y561	I556-C559 WeakPolarHBondContact O-CB 3.36Å; I556-C559 PolarHBondContact O-N 3.39Å; F557-C559 PolarHBondContact O-N 2.79Å; C559-Y561 VanDerWaalsContact C-N 3.28Å
560	M	66.4	Low	62.8	Low	37 Å²	37	64.5 Å²	64.5	18%	0.182	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-78.3	-14.1	169.4	-53.8	-166.9	-46.2	0	0	112.5	F557 R558 V902	F557-M560 HydrophobicContact CB-CE 4.46Å; F557-M560 HydrophobicContact CD1-CE 3.31Å; F557-M560 HydrophobicContact CD2-CE 4.06Å; F557-M560 HydrophobicContact CE1-CE 3.43Å; F557-M560 VanDerWaalsContact CE1-CE 3.43Å; F557-M560 HydrophobicContact CE2-CE 4.15Å; F557-M560 HydrophobicContact CG-CE 3.66Å; F557-M560 HydrophobicContact CZ-CE 3.87Å; F557-M560 WeakPolarHBondContact O-CB 3.38Å; F557-M560 PolarHBondContact O-N 2.68Å; F557-M560 VanDerWaalsContact O-N 3.14Å; R558-M560 PolarHBondContact O-N 2.84Å; M560-V902 HydrophobicContact CE-CG1 4.21Å
561	Y	66.6	Low	60.3	Low	3 Å²	3	68.3 Å²	68.3	1%	0.012	35%	0.35	C	S	.	.	S	Bend	trans	-93.2	118.8	171.8	-61.9	-94.6	0	0	0	108.8	L403 V406 F557 R558 C559 L578 V849 T851	L403-Y561 HydrophobicContact CD2-CD1 4.24Å; V406-Y561 HydrophobicContact CB-CE1 4.21Å; V406-Y561 WeakPolarHBondContact CB-OH 3.35Å; V406-Y561 WeakPolarHBondContact CG1-OH 3.18Å; V406-Y561 HydrophobicContact CG2-CE1 3.69Å; F557-Y561 WeakPolarHBondContact O-CD2 3.37Å; R558-Y561 PolarHBondContact O-N 3.37Å; R558-Y561 VanDerWaalsContact O-N 3.14Å; C559-Y561 VanDerWaalsContact C-N 3.28Å; Y561-L578 HydrophobicContact CD1-CD1 3.8Å; Y561-L578 HydrophobicContact CD2-CB 3.92Å; Y561-L578 HydrophobicContact CD2-CD1 3.85Å; Y561-L578 HydrophobicContact CD2-CD2 3.77Å; Y561-L578 HydrophobicContact CD2-CG 4.06Å; Y561-L578 HydrophobicContact CE1-CD1 3.91Å; Y561-L578 HydrophobicContact CE2-CD1 3.98Å; Y561-L578 HydrophobicContact CE2-CD2 3.87Å; Y561-L578 HydrophobicContact CE2-CG 4.42Å; Y561-L578 HydrophobicContact CG-CB 3.87Å; Y561-L578 HydrophobicContact CG-CD1 3.77Å; Y561-L578 HydrophobicContact CG-CD2 4.43Å; Y561-L578 HydrophobicContact CG-CG 4.23Å; Y561-V849 HydrophobicContact CE1-CG1 4.32Å; Y561-T851 WeakPolarHBondContact CE1-OG1 3.33Å; Y561-T851 WeakPolarHBondContact OH-CG2 3.44Å; Y561-T851 PolarHBondContact OH-OG1 2.94Å
562	P	55.6	Low	58	Low	25 Å²	25	69.2 Å²	69.2	16%	0.162	37%	0.372	C	S	.	.	S	Bend	trans	-74.6	159.9	-173.2	35.7	-40.3	0	0	0	111.1	P391 V393	P391-P562 WeakPolarHBondContact CD-O 3.42Å; P391-P562 HydrophobicContact CG-CB 3.58Å; P391-P562 HydrophobicContact CG-CG 3.77Å; V393-P562 HydrophobicContact CG1-CB 3.33Å; V393-P562 HydrophobicContact CG1-CG 3.47Å; V393-P562 VanDerWaalsContact CG1-CG 3.47Å; V393-P562 HydrophobicContact CG2-CG 4.42Å
563	G	51.9	Low	56	Low	27 Å²	27	70.5 Å²	70.5	28%	0.278	38%	0.383	S	S	.	.			trans	107.7	3.5	178.2	0	0	0	0	0	115.3
564	G	45.8	Very low	54.3	Low	17 Å²	17	76.3 Å²	76.3	18%	0.175	41%	0.41	C	S	.	.			trans	-99.9	37.4	168.4	0	0	0	0	0	113.5
565	Q	43.8	Very low	52.7	Low	176 Å²	176	76.5 Å²	76.5	82%	0.822	41%	0.411	S	S	*	.			trans	-132	49.8	-174.6	-69.7	179.7	-22.2	0	0	111.3	R567	Q565-R567 PolarHBondContact O-N 3.49Å
566	G	39.7	Very low	51.8	Low	42 Å²	42	74.7 Å²	74.7	43%	0.433	41%	0.408	S	S	.	.			trans	-61.9	132.2	168.2	0	0	0	0	0	110.1	S568	G566-S568 PolarHBondContact O-N 2.84Å
567	R	35.3	Very low	51	Low	254 Å²	254	71.2 Å²	71.2	96%	0.958	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	7.4	-176.2	-93.5	-172.1	173.6	-170.5	-1	114.8	Q565	Q565-R567 PolarHBondContact O-N 3.49Å
568	S	36.4	Very low	50.4	Low	88 Å²	88	71 Å²	71	62%	0.615	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.6	8.9	-172	57.3	0	0	0	0	115.1	G566 Y570	G566-S568 PolarHBondContact O-N 2.84Å; S568-Y570 VanDerWaalsContact O-CD2 3.3Å; S568-Y570 WeakPolarHBondContact O-CD2 3.35Å; S568-Y570 PolarHBondContact O-N 3.34Å
569	D	33.4	Very low	49.9	Very low	89 Å²	89	70.4 Å²	70.4	48%	0.476	39%	0.388	S	S	.	.			trans	-81.2	87.1	-173.9	-66.6	-21	0	0	0	111.9	S571 G572	D569-S571 PolarHBondContact O-N 3.25Å; D569-G572 PolarHBondContact O-N 3.05Å
570	Y	35.2	Very low	49.7	Very low	241 Å²	241	69.2 Å²	69.2	95%	0.945	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-3.7	176.9	-78.1	-90.7	0	0	0	115.1	S568	S568-Y570 VanDerWaalsContact O-CD2 3.3Å; S568-Y570 WeakPolarHBondContact O-CD2 3.35Å; S568-Y570 PolarHBondContact O-N 3.34Å
571	S	38.3	Very low	49.6	Very low	80 Å²	80	67.6 Å²	67.6	56%	0.559	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-4.1	-179.6	66	0	0	0	0	114.9	D569 T573	D569-S571 PolarHBondContact O-N 3.25Å; S571-T573 PolarHBondContact O-N 2.94Å; S571-T573 PolarHBondContact O-OG1 3.34Å
572	G	37.7	Very low	49.7	Very low	67 Å²	67	68.6 Å²	68.6	69%	0.691	37%	0.372	S	S	*	.			trans	63.5	5.8	174.8	0	0	0	0	0	116.2	D569 Q574	D569-G572 PolarHBondContact O-N 3.05Å; G572-Q574 PolarHBondContact O-N 2.92Å; G572-Q574 VanDerWaalsContact O-N 3.15Å
573	T	43.3	Very low	50.1	Low	71 Å²	71	68 Å²	68	44%	0.436	37%	0.368	S	S	.	.			trans	-91.4	80.8	-167.3	-58	0	0	0	0	111.3	S571 L576	S571-T573 PolarHBondContact O-N 2.94Å; S571-T573 PolarHBondContact O-OG1 3.34Å; T573-L576 HydrophobicContact CG2-CD2 4.08Å; T573-L576 HydrophobicContact CG2-CG 4.49Å
574	Q	48.2	Very low	50.4	Low	144 Å²	144	67.4 Å²	67.4	67%	0.673	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	145.6	177.9	-63	-177.1	-7.5	0	0	112.5	G572	G572-Q574 PolarHBondContact O-N 2.92Å; G572-Q574 VanDerWaalsContact O-N 3.15Å
575	G	51.7	Low	51.1	Low	3 Å²	3	67.3 Å²	67.3	3%	0.031	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	14.2	172.2	0	0	0	0	0	116.7	G577	G575-G577 PolarHBondContact O-N 3.46Å; G575-G577 VanDerWaalsContact O-N 3.16Å
576	L	59.3	Low	52.1	Low	49 Å²	49	59.3 Å²	59.3	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-21.6	178.8	-66.8	175.8	0	0	0	114.6	T573 L578 L579 R580	T573-L576 HydrophobicContact CG2-CD2 4.08Å; T573-L576 HydrophobicContact CG2-CG 4.49Å; L576-L578 PolarHBondContact O-N 3.49Å; L576-L579 HydrophobicContact CD2-CD1 4.17Å; L576-L579 PolarHBondContact O-N 2.78Å; L576-R580 PolarHBondContact O-N 3.17Å
577	G	61.6	Low	53.7	Low	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-54.2	-51.2	-178.3	0	0	0	0	0	113.5	G575 L579 R580 L581	G575-G577 PolarHBondContact O-N 3.46Å; G575-G577 VanDerWaalsContact O-N 3.16Å; G577-L579 VanDerWaalsContact C-N 3.34Å; G577-L579 PolarHBondContact O-N 3.02Å; G577-R580 PolarHBondContact O-N 2.83Å; G577-L581 WeakPolarHBondContact O-CG 3.49Å; G577-L581 PolarHBondContact O-N 3.34Å
578	L	67.7	Low	55.6	Low	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.6	-48.6	175.8	177.5	59.2	0	0	0	111.9	R558 Y561 L576 R580 L581 H582 H587 L610	R558-L578 HydrophobicContact CB-CD2 4.42Å; R558-L578 HydrophobicContact CG-CD2 4.21Å; Y561-L578 HydrophobicContact CD1-CD1 3.8Å; Y561-L578 HydrophobicContact CD2-CB 3.92Å; Y561-L578 HydrophobicContact CD2-CD1 3.85Å; Y561-L578 HydrophobicContact CD2-CD2 3.77Å; Y561-L578 HydrophobicContact CD2-CG 4.06Å; Y561-L578 HydrophobicContact CE1-CD1 3.91Å; Y561-L578 HydrophobicContact CE2-CD1 3.98Å; Y561-L578 HydrophobicContact CE2-CD2 3.87Å; Y561-L578 HydrophobicContact CE2-CG 4.42Å; Y561-L578 HydrophobicContact CG-CB 3.87Å; Y561-L578 HydrophobicContact CG-CD1 3.77Å; Y561-L578 HydrophobicContact CG-CD2 4.43Å; Y561-L578 HydrophobicContact CG-CG 4.23Å; L576-L578 PolarHBondContact O-N 3.49Å; L578-R580 VanDerWaalsContact C-N 3.26Å; L578-R580 PolarHBondContact O-N 2.63Å; L578-L581 PolarHBondContact O-N 3.03Å; L578-H582 WeakPolarHBondContact O-CB 3.46Å; L578-H582 PolarHBondContact O-N 3.44Å; L578-H587 WeakPolarHBondContact CD1-CE1 3.16Å; L578-L610 HydrophobicContact CD2-CD1 3.48Å; L578-L610 VanDerWaalsContact CD2-CD1 3.48Å; L578-L610 HydrophobicContact CD2-CD2 4.47Å; L578-L610 HydrophobicContact CD2-CG 3.7Å
579	L	61.8	Low	57.7	Low	9 Å²	9	42.7 Å²	42.7	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-31.1	-173.4	-52.2	178.6	0	0	0	111.9	L576 G577 S583 L610 L611 A612	L576-L579 HydrophobicContact CD2-CD1 4.17Å; L576-L579 PolarHBondContact O-N 2.78Å; G577-L579 VanDerWaalsContact C-N 3.34Å; G577-L579 PolarHBondContact O-N 3.02Å; L579-S583 PolarHBondContact O-N 3.23Å; L579-S583 PolarHBondContact O-OG 2.94Å; L579-L610 VanDerWaalsContact CD2-O 3.26Å; L579-L610 WeakPolarHBondContact CD2-O 3.44Å; L579-L611 VanDerWaalsContact CD2-C 3.45Å; L579-A612 HydrophobicContact CD1-CB 3.58Å; L579-A612 HydrophobicContact CD2-CB 4.31Å
580	R	63.1	Low	59.9	Low	31 Å²	31	42.8 Å²	42.8	12%	0.117	23%	0.225	C	C	.	.	H	α-helix	trans	-72.5	-51.5	172.8	-173.5	-166.3	66.2	-148.3	4.1	111	L387 D389 L576 G577 L578 H582 S583 T584	L387-R580 PolarHBondContact O-NE 3.21Å; L387-R580 PolarHBondContact O-NH1 3Å; L387-R580 PolarHBondContact O-NH2 3.45Å; D389-R580 PolarHBondContact O-NH2 3.37Å; L576-R580 PolarHBondContact O-N 3.17Å; G577-R580 PolarHBondContact O-N 2.83Å; L578-R580 VanDerWaalsContact C-N 3.26Å; L578-R580 PolarHBondContact O-N 2.63Å; R580-H582 PolarHBondContact O-N 3.32Å; R580-S583 PolarHBondContact O-N 3.23Å; R580-S583 VanDerWaalsContact O-N 3.09Å; R580-T584 HydrophobicContact CG-CG2 4.12Å; R580-T584 PolarHBondContact O-N 3.3Å; R580-T584 PolarHBondContact O-OG1 2.93Å
581	L	65.8	Low	62.2	Low	3 Å²	3	32 Å²	32	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-54.6	-36.7	176.9	-68.8	172.2	0	0	0	112.1	P390 G577 L578 R586 H587 V849	P390-L581 HydrophobicContact CB-CD1 4.3Å; P390-L581 HydrophobicContact CB-CD2 3.98Å; P390-L581 HydrophobicContact CG-CD2 3.72Å; G577-L581 WeakPolarHBondContact O-CG 3.49Å; G577-L581 PolarHBondContact O-N 3.34Å; L578-L581 PolarHBondContact O-N 3.03Å; L581-R586 HydrophobicContact CD2-CB 4.2Å; L581-R586 PolarHBondContact O-N 3.37Å; L581-H587 HydrophobicContact CB-CB 4.13Å; L581-H587 WeakPolarHBondContact O-CB 3.07Å; L581-H587 PolarHBondContact O-N 2.86Å; L581-V849 HydrophobicContact CD1-CG2 4.3Å
582	H	68	Low	64.5	Low	25 Å²	25	29.6 Å²	29.6	12%	0.116	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-53.6	174.4	-175.5	-89.6	0	0	0	112.9	I308 K314 L578 R580 H587	I308-H582 WeakPolarHBondContact CG1-NE2 3.47Å; I308-H582 WeakPolarHBondContact CG2-NE2 3.49Å; K314-H582 PolarHBondContact NZ-O 3.01Å; L578-H582 WeakPolarHBondContact O-CB 3.46Å; L578-H582 PolarHBondContact O-N 3.44Å; R580-H582 PolarHBondContact O-N 3.32Å; H582-H587 AromaticContact CD2-ND1 3.73Å
583	S	63.4	Low	66.8	Low	11 Å²	11	26.5 Å²	26.5	8%	0.077	13%	0.13	C	C	.	.	H	α-helix	trans	-75.2	-31.3	-176.8	-56.3	0	0	0	0	114	Y279 A280 L579 R580 F585	Y279-S583 WeakPolarHBondContact CA-O 3.27Å; A280-S583 PolarHBondContact N-O 3.29Å; L579-S583 PolarHBondContact O-N 3.23Å; L579-S583 PolarHBondContact O-OG 2.94Å; R580-S583 PolarHBondContact O-N 3.23Å; R580-S583 VanDerWaalsContact O-N 3.09Å; S583-F585 WeakPolarHBondContact O-CD1 3.36Å; S583-F585 PolarHBondContact O-N 2.96Å
584	T	59.5	Low	68.6	Low	15 Å²	15	23.3 Å²	23.3	9%	0.092	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	21.6	177.8	60.5	0	0	0	0	113.7	D278 Y279 R580 R586	D278-T584 CarbonylContact O-C 3.6Å; D278-T584 VanDerWaalsContact O-CA 3.26Å; D278-T584 WeakPolarHBondContact O-CA 3.46Å; Y279-T584 HydrophobicContact CD2-CG2 4.09Å; R580-T584 HydrophobicContact CG-CG2 4.12Å; R580-T584 PolarHBondContact O-N 3.3Å; R580-T584 PolarHBondContact O-OG1 2.93Å; T584-R586 WeakPolarHBondContact O-CG 3.48Å; T584-R586 PolarHBondContact O-N 3.23Å
585	F	61	Low	69.7	Low	16 Å²	16	21.2 Å²	21.2	7%	0.07	11%	0.105	C	C	.	.	S	Bend	trans	60.1	-15.3	-178.4	-55.7	-19.7	0	0	0	117.7	P277 A280 K314 R318 S583 H587	P277-F585 WeakPolarHBondContact O-CE2 3.28Å; A280-F585 HydrophobicContact CB-CE1 3.79Å; A280-F585 HydrophobicContact CB-CZ 3.67Å; K314-F585 HydrophobicContact CB-CD1 3.85Å; K314-F585 HydrophobicContact CB-CD2 4.18Å; K314-F585 HydrophobicContact CB-CE1 3.89Å; K314-F585 HydrophobicContact CB-CE2 4.21Å; K314-F585 HydrophobicContact CB-CG 4.01Å; K314-F585 HydrophobicContact CB-CZ 4.07Å; K314-F585 HydrophobicContact CD-CB 4.05Å; K314-F585 HydrophobicContact CD-CD1 3.51Å; K314-F585 HydrophobicContact CD-CE1 4.19Å; K314-F585 HydrophobicContact CD-CG 3.91Å; K314-F585 HydrophobicContact CG-CD1 3.52Å; K314-F585 HydrophobicContact CG-CE1 3.67Å; K314-F585 HydrophobicContact CG-CG 4.11Å; K314-F585 HydrophobicContact CG-CZ 4.35Å; K314-F585 WeakPolarHBondContact O-CE2 3.41Å; R318-F585 HydrophobicContact CB-CE2 4.44Å; S583-F585 WeakPolarHBondContact O-CD1 3.36Å; S583-F585 PolarHBondContact O-N 2.96Å; F585-H587 PolarHBondContact O-N 3.05Å
586	R	63.5	Low	70.9	Confident	8 Å²	8	23.8 Å²	23.8	3%	0.03	12%	0.116	C	C	.	.			trans	-63.2	19	177.9	-51.2	-168.9	-167.7	-160.7	5.7	115.3	D388 D389 L581 T584 H848 V849	D388-R586 VanDerWaalsContact O-CZ 3.25Å; D388-R586 PolarHBondContact O-NE 3.17Å; D388-R586 PolarHBondContact O-NH1 2.94Å; D389-R586 IonicContact OD1-CZ 3.76Å; D389-R586 IonicContact OD1-NH1 2.6Å; D389-R586 PolarHBondContact OD1-NH1 3.3Å; D389-R586 IonicContact OD1-NH2 3.85Å; L581-R586 HydrophobicContact CD2-CB 4.2Å; L581-R586 PolarHBondContact O-N 3.37Å; T584-R586 WeakPolarHBondContact O-CG 3.48Å; T584-R586 PolarHBondContact O-N 3.23Å; R586-H848 WeakPolarHBondContact O-CA 3.44Å; R586-V849 PolarHBondContact O-N 3.08Å
587	H	73.8	Confident	71.7	Confident	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	126.6	-175.8	-172.9	-128.8	0	0	0	113.4	K314 L578 L581 H582 F585 V849 T851	K314-H587 PolarHBondContact NZ-O 2.89Å; L578-H587 WeakPolarHBondContact CD1-CE1 3.16Å; L581-H587 HydrophobicContact CB-CB 4.13Å; L581-H587 WeakPolarHBondContact O-CB 3.07Å; L581-H587 PolarHBondContact O-N 2.86Å; H582-H587 AromaticContact CD2-ND1 3.73Å; F585-H587 PolarHBondContact O-N 3.05Å; H587-V849 VanDerWaalsContact CA-O 3.31Å; H587-V849 WeakPolarHBondContact CA-O 3.39Å; H587-V849 PolarHBondContact CD2-O 3.25Å; H587-V849 VanDerWaalsContact CD2-O 3.22Å; H587-T851 WeakPolarHBondContact NE2-CB 3.43Å; H587-T851 PolarHBondContact NE2-OG1 2.67Å
588	D	75.7	Confident	72.8	Confident	17 Å²	17	23.7 Å²	23.7	9%	0.091	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	89.5	176.6	164.8	14.8	0	0	0	109.3	K590 V849 R850 T851 R852	D588-K590 WeakPolarHBondContact OD1-CE 3.48Å; D588-K590 IonicContact OD1-NZ 3.16Å; D588-K590 PolarHBondContact OD1-NZ 2.6Å; D588-K590 IonicContact OD2-NZ 2.82Å; D588-V849 PolarHBondContact N-O 3.09Å; D588-R850 HydrophobicContact CB-CG 4.2Å; D588-R850 WeakPolarHBondContact OD2-CD 3.24Å; D588-R850 IonicContact OD2-NE 3.15Å; D588-R850 PolarHBondContact OD2-NE 3.07Å; D588-T851 PolarHBondContact O-N 2.66Å; D588-R852 PolarHBondContact O-NH1 2.98Å; D588-R852 IonicContact OD1-CZ 3.31Å; D588-R852 IonicContact OD1-NH1 2.72Å; D588-R852 PolarHBondContact OD1-NH1 2.92Å; D588-R852 IonicContact OD1-NH2 2.7Å; D588-R852 PolarHBondContact OD1-NH2 2.83Å; D588-R852 IonicContact OD2-CZ 3.99Å; D588-R852 IonicContact OD2-NH1 2.59Å; D588-R852 PolarHBondContact OD2-NH1 3.18Å; D588-R852 IonicContact OD2-NH2 2.86Å; D588-R852 PolarHBondContact OD2-NH2 3.33Å
589	L	78.9	Confident	73.8	Confident	16 Å²	16	23.7 Å²	23.7	8%	0.084	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.5	177.6	177.9	53.7	0	0	0	111.3	I308 I591 L610 L611 T851 L853	I308-L589 HydrophobicContact CD1-CD2 3.59Å; I308-L589 HydrophobicContact CD1-CG 4.09Å; L589-I591 HydrophobicContact CD1-CD1 4.43Å; L589-I591 HydrophobicContact CD1-CG1 4Å; L589-I591 HydrophobicContact CG-CG1 4.3Å; L589-L610 HydrophobicContact CD1-CD2 4.4Å; L589-L610 HydrophobicContact CD2-CD2 4.06Å; L589-L611 HydrophobicContact CD2-CD2 3.92Å; L589-T851 HydrophobicContact CD1-CG2 3.49Å; L589-T851 VanDerWaalsContact CD1-CG2 3.49Å; L589-L853 HydrophobicContact CD1-CD1 4.2Å; L589-L853 HydrophobicContact CD1-CG 4.36Å
590	K	80.4	Confident	74.8	Confident	92 Å²	92	23.9 Å²	23.9	40%	0.4	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135	168.4	-62.6	175.3	-172.4	153.4	0	110	D588 Y592 T851 R852 L853	D588-K590 WeakPolarHBondContact OD1-CE 3.48Å; D588-K590 IonicContact OD1-NZ 3.16Å; D588-K590 PolarHBondContact OD1-NZ 2.6Å; D588-K590 IonicContact OD2-NZ 2.82Å; K590-Y592 HydrophobicContact CB-CE2 3.88Å; K590-T851 PolarHBondContact N-O 2.73Å; K590-R852 WeakPolarHBondContact O-CA 3.39Å; K590-L853 PolarHBondContact O-N 3.08Å
591	I	84.3	Confident	75.8	Confident	15 Å²	15	25.1 Å²	25.1	8%	0.077	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.5	-179	-50.8	-174.8	0	0	0	108.1	L589 A603 A607 V625 L853 F855	L589-I591 HydrophobicContact CD1-CD1 4.43Å; L589-I591 HydrophobicContact CD1-CG1 4Å; L589-I591 HydrophobicContact CG-CG1 4.3Å; I591-A603 HydrophobicContact CG2-CB 4.23Å; I591-A607 HydrophobicContact CD1-CB 3.73Å; I591-V625 HydrophobicContact CB-CG2 4.45Å; I591-V625 HydrophobicContact CG2-CG2 3.9Å; I591-L853 WeakPolarHBondContact CA-O 3.5Å; I591-L853 HydrophobicContact CD1-CD1 4.11Å; I591-L853 HydrophobicContact CG1-CB 4.32Å; I591-L853 HydrophobicContact CG1-CD1 4.09Å; I591-L853 HydrophobicContact CG1-CG 4.48Å; I591-L853 HydrophobicContact CG2-CB 4.21Å; I591-F855 HydrophobicContact CG2-CD2 3.89Å; I591-F855 HydrophobicContact CG2-CE2 3.83Å
592	Y	85.8	Confident	77	Confident	29 Å²	29	25 Å²	25	11%	0.114	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.8	-177.9	-55.6	-79.4	0	0	0	109.2	K590 S627 T630 K814 L853 Y854 F855	K590-Y592 HydrophobicContact CB-CE2 3.88Å; Y592-S627 WeakPolarHBondContact CD1-OG 3.49Å; Y592-T630 HydrophobicContact CD1-CG2 3.98Å; Y592-K814 PolarHBondContact OH-NZ 2.61Å; Y592-L853 PolarHBondContact N-O 2.71Å; Y592-Y854 AromaticContact CD2-CD1 3.73Å; Y592-Y854 HydrophobicContact CD2-CD1 3.73Å; Y592-Y854 AromaticContact CD2-CE1 3.25Å; Y592-Y854 HydrophobicContact CD2-CE1 3.25Å; Y592-Y854 HydrophobicContact CD2-CE2 4.38Å; Y592-Y854 HydrophobicContact CD2-CG 4.44Å; Y592-Y854 AromaticContact CD2-CZ 3.61Å; Y592-Y854 AromaticContact CE2-CE1 3.85Å; Y592-Y854 HydrophobicContact CE2-CE1 3.85Å; Y592-Y854 AromaticContact CE2-CZ 3.82Å; Y592-Y854 HydrophobicContact CG-CD1 4.03Å; Y592-Y854 AromaticContact CG-CE1 3.74Å; Y592-Y854 HydrophobicContact CG-CE1 3.74Å; Y592-F855 PolarHBondContact O-N 3.19Å
593	A	85.6	Confident	78	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.1	167.4	0	0	0	0	0	111.5	V599 Q600 A603 V625 L634 F855	A593-V599 HydrophobicContact CB-CG1 4Å; A593-Q600 HydrophobicContact CB-CG 4.13Å; A593-A603 HydrophobicContact CB-CB 4.32Å; A593-V625 HydrophobicContact CB-CG1 3.28Å; A593-L634 VanDerWaalsContact C-CD1 3.48Å; A593-F855 WeakPolarHBondContact CA-O 3.44Å; A593-F855 HydrophobicContact CB-CB 4.09Å
594	S	80.9	Confident	79	Confident	5 Å²	5	23.3 Å²	23.3	4%	0.035	12%	0.118	C	C	.	.			trans	-60.2	158.1	160.9	171.9	0	0	0	0	110.9	E596 Q600 L634 D635 F855	S594-E596 PolarHBondContact O-N 3.42Å; S594-E596 VanDerWaalsContact O-N 3.1Å; S594-Q600 WeakPolarHBondContact O-CG 3.49Å; S594-L634 WeakPolarHBondContact CB-O 3.47Å; S594-L634 PolarHBondContact OG-O 3.12Å; S594-D635 PolarHBondContact OG-OD1 2.92Å; S594-F855 PolarHBondContact N-O 2.77Å
595	D	72.8	Confident	80.3	Confident	100 Å²	100	22.6 Å²	22.6	54%	0.535	11%	0.114	S	C	.	.	S	Bend	trans	-70.1	-0.2	-179.6	-116.8	22.2	0	0	0	114.7	G597 Q600	D595-G597 PolarHBondContact O-N 3.22Å; D595-Q600 PolarHBondContact OD1-NE2 3.18Å
596	E	76.6	Confident	81.6	Confident	56 Å²	56	21.8 Å²	21.8	26%	0.262	11%	0.11	S	C	.	.			trans	-71.3	116.7	171.2	-69.7	-155.8	105.9	0	0	111.9	K418 S594 R598 V599 Q600	K418-E596 IonicContact NZ-OE1 3.46Å; K418-E596 PolarHBondContact NZ-OE1 3.17Å; S594-E596 PolarHBondContact O-N 3.42Å; S594-E596 VanDerWaalsContact O-N 3.1Å; E596-R598 VanDerWaalsContact C-N 3.3Å; E596-R598 PolarHBondContact O-N 2.81Å; E596-R598 VanDerWaalsContact O-N 3.07Å; E596-R598 IonicContact OE1-CZ 3.02Å; E596-R598 IonicContact OE1-NH1 2.79Å; E596-R598 PolarHBondContact OE1-NH1 3.43Å; E596-R598 IonicContact OE1-NH2 3.88Å; E596-R598 IonicContact OE2-CZ 3.63Å; E596-R598 IonicContact OE2-NH1 3.88Å; E596-R598 PolarHBondContact OE2-NH1 2.62Å; E596-R598 IonicContact OE2-NH2 2.99Å; E596-R598 PolarHBondContact OE2-NH2 2.84Å; E596-V599 HydrophobicContact CB-CB 4.44Å; E596-V599 HydrophobicContact CB-CG2 3.74Å; E596-V599 WeakPolarHBondContact O-CA 3.38Å; E596-V599 VanDerWaalsContact O-CB 3.25Å; E596-V599 WeakPolarHBondContact O-CB 3.18Å; E596-V599 PolarHBondContact O-N 2.97Å; E596-Q600 PolarHBondContact O-N 2.85Å
597	G	76.4	Confident	82.7	Confident	24 Å²	24	21.5 Å²	21.5	25%	0.247	11%	0.11	C	C	.	.	H	α-helix	trans	-52	-36.9	-173.8	0	0	0	0	0	115.8	D595 V599 Q600 M601	D595-G597 PolarHBondContact O-N 3.22Å; G597-V599 VanDerWaalsContact C-N 3.26Å; G597-V599 PolarHBondContact O-N 2.7Å; G597-Q600 PolarHBondContact O-N 2.92Å; G597-M601 WeakPolarHBondContact O-CB 3.19Å; G597-M601 WeakPolarHBondContact O-CG 3.36Å; G597-M601 PolarHBondContact O-N 2.64Å
598	R	84.4	Confident	83	Confident	23 Å²	23	22.6 Å²	22.6	9%	0.087	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-32.2	174.9	73.4	179.2	-176	-68.3	-12	113.2	H412 G540 L542 E596 T602	H412-R598 HydrophobicContact CB-CG 4.5Å; H412-R598 PolarHBondContact CD2-NE 3.46Å; H412-R598 VanDerWaalsContact CD2-NE 3.26Å; H412-R598 PolarHBondContact CD2-NH2 3.35Å; H412-R598 PolarHBondContact CE1-NE 2.67Å; H412-R598 VanDerWaalsContact CE1-NE 3.31Å; H412-R598 PolarHBondContact NE2-NE 3.41Å; H412-R598 PolarHBondContact NE2-NH2 2.79Å; H412-R598 VanDerWaalsContact NE2-NH2 3.11Å; G540-R598 WeakPolarHBondContact O-CD 3.28Å; L542-R598 HydrophobicContact CB-CB 4.06Å; E596-R598 VanDerWaalsContact C-N 3.3Å; E596-R598 PolarHBondContact O-N 2.81Å; E596-R598 VanDerWaalsContact O-N 3.07Å; E596-R598 IonicContact OE1-CZ 3.02Å; E596-R598 IonicContact OE1-NH1 2.79Å; E596-R598 PolarHBondContact OE1-NH1 3.43Å; E596-R598 IonicContact OE1-NH2 3.88Å; E596-R598 IonicContact OE2-CZ 3.63Å; E596-R598 IonicContact OE2-NH1 3.88Å; E596-R598 PolarHBondContact OE2-NH1 2.62Å; E596-R598 IonicContact OE2-NH2 2.99Å; E596-R598 PolarHBondContact OE2-NH2 2.84Å; R598-T602 PolarHBondContact O-N 3.35Å; R598-T602 PolarHBondContact O-OG1 3.25Å
599	V	87.6	Confident	83.2	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-74.4	-45.3	179.1	-170.6	0	0	0	0	109.4	H412 A593 E596 G597 M601 T602 A603 F855	H412-V599 HydrophobicContact CB-CG2 4.11Å; A593-V599 HydrophobicContact CB-CG1 4Å; E596-V599 HydrophobicContact CB-CB 4.44Å; E596-V599 HydrophobicContact CB-CG2 3.74Å; E596-V599 WeakPolarHBondContact O-CA 3.38Å; E596-V599 VanDerWaalsContact O-CB 3.25Å; E596-V599 WeakPolarHBondContact O-CB 3.18Å; E596-V599 PolarHBondContact O-N 2.97Å; G597-V599 VanDerWaalsContact C-N 3.26Å; G597-V599 PolarHBondContact O-N 2.7Å; V599-M601 VanDerWaalsContact C-N 3.34Å; V599-M601 PolarHBondContact O-N 2.89Å; V599-T602 WeakPolarHBondContact O-CB 3.39Å; V599-T602 PolarHBondContact O-N 2.99Å; V599-A603 WeakPolarHBondContact O-CB 3.22Å; V599-A603 PolarHBondContact O-N 3.39Å; V599-F855 HydrophobicContact CG1-CB 3.67Å; V599-F855 WeakPolarHBondContact CG1-O 3.2Å
600	Q	84.1	Confident	83.3	Confident	14 Å²	14	21.2 Å²	21.2	7%	0.065	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-43.2	174.2	-61.2	179.8	-16.7	0	0	112	A593 S594 D595 E596 G597 A603 A604 V622 V625	A593-Q600 HydrophobicContact CB-CG 4.13Å; S594-Q600 WeakPolarHBondContact O-CG 3.49Å; D595-Q600 PolarHBondContact OD1-NE2 3.18Å; E596-Q600 PolarHBondContact O-N 2.85Å; G597-Q600 PolarHBondContact O-N 2.92Å; Q600-A603 PolarHBondContact O-N 3.19Å; Q600-A604 WeakPolarHBondContact O-CB 3.47Å; Q600-A604 PolarHBondContact O-N 3.23Å; Q600-V622 HydrophobicContact CB-CG1 4.01Å; Q600-V625 HydrophobicContact CB-CG1 4.47Å
601	M	83.1	Confident	83.1	Confident	57 Å²	57	18 Å²	18	28%	0.281	10%	0.095	S	C	.	.	H	α-helix	trans	-68	-33.9	175.8	-67.1	-67.2	-79	0	0	112.7	L542 G597 V599 A605 L617 V622	L542-M601 HydrophobicContact CB-CB 4.46Å; L542-M601 HydrophobicContact CD2-CB 3.72Å; G597-M601 WeakPolarHBondContact O-CB 3.19Å; G597-M601 WeakPolarHBondContact O-CG 3.36Å; G597-M601 PolarHBondContact O-N 2.64Å; V599-M601 VanDerWaalsContact C-N 3.34Å; V599-M601 PolarHBondContact O-N 2.89Å; M601-A605 WeakPolarHBondContact O-CB 3.31Å; M601-A605 PolarHBondContact O-N 2.96Å; M601-A605 VanDerWaalsContact O-N 3.07Å; M601-L617 HydrophobicContact CE-CD2 3.8Å; M601-L617 HydrophobicContact SD-CD2 4.19Å; M601-V622 HydrophobicContact SD-CG1 4.32Å; M601-V622 HydrophobicContact SD-CG2 3.56Å; M601-V622 VanDerWaalsContact SD-CG2 3.56Å
602	T	90.6	Very high	82.6	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.3	-51.6	171.8	-54.8	0	0	0	0	110	H412 G413 L542 A550 R598 V599 A604 A605 F606 F855 M898	H412-T602 WeakPolarHBondContact CB-OG1 3.49Å; G413-T602 PolarHBondContact N-OG1 2.92Å; G413-T602 VanDerWaalsContact N-OG1 3.11Å; L542-T602 VanDerWaalsContact CD1-OG1 3.31Å; L542-T602 WeakPolarHBondContact CD1-OG1 3.47Å; A550-T602 HydrophobicContact CB-CG2 3.72Å; A550-T602 WeakPolarHBondContact CB-O 3.31Å; R598-T602 PolarHBondContact O-N 3.35Å; R598-T602 PolarHBondContact O-OG1 3.25Å; V599-T602 WeakPolarHBondContact O-CB 3.39Å; V599-T602 PolarHBondContact O-N 2.99Å; T602-A604 VanDerWaalsContact C-N 3.31Å; T602-A604 PolarHBondContact O-N 3.43Å; T602-A605 PolarHBondContact O-N 2.82Å; T602-A605 VanDerWaalsContact O-N 3.17Å; T602-F606 WeakPolarHBondContact O-CB 2.96Å; T602-F606 PolarHBondContact O-N 3.22Å; T602-F855 HydrophobicContact CG2-CD1 4Å; T602-F855 HydrophobicContact CG2-CE1 4.2Å; T602-M898 HydrophobicContact CG2-CE 3.84Å; T602-M898 HydrophobicContact CG2-SD 3.56Å; T602-M898 VanDerWaalsContact CG2-SD 3.56Å
603	A	89.4	Confident	81.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-41.4	-178.4	0	0	0	0	0	112.3	I591 A593 V599 Q600 A607 V625 F855	I591-A603 HydrophobicContact CG2-CB 4.23Å; A593-A603 HydrophobicContact CB-CB 4.32Å; V599-A603 WeakPolarHBondContact O-CB 3.22Å; V599-A603 PolarHBondContact O-N 3.39Å; Q600-A603 PolarHBondContact O-N 3.19Å; A603-A607 WeakPolarHBondContact O-CB 3.44Å; A603-A607 PolarHBondContact O-N 3.24Å; A603-V625 HydrophobicContact CB-CB 4.28Å; A603-V625 HydrophobicContact CB-CG1 3.61Å; A603-V625 HydrophobicContact CB-CG2 3.63Å; A603-F855 HydrophobicContact CB-CB 3.83Å; A603-F855 HydrophobicContact CB-CD1 4.08Å; A603-F855 HydrophobicContact CB-CD2 3.32Å; A603-F855 HydrophobicContact CB-CE2 3.89Å; A603-F855 HydrophobicContact CB-CG 3.44Å; A603-F855 VanDerWaalsContact CB-CG 3.44Å; A603-F855 HydrophobicContact CB-CZ 4.48Å
604	A	84.9	Confident	80.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-44.7	175.2	0	0	0	0	0	112	Q600 T602 A607 K608 L617 L621 V622	Q600-A604 WeakPolarHBondContact O-CB 3.47Å; Q600-A604 PolarHBondContact O-N 3.23Å; T602-A604 VanDerWaalsContact C-N 3.31Å; T602-A604 PolarHBondContact O-N 3.43Å; A604-A607 WeakPolarHBondContact O-CB 3.36Å; A604-A607 PolarHBondContact O-N 2.79Å; A604-K608 PolarHBondContact O-N 3.28Å; A604-L617 VanDerWaalsContact C-CD1 3.49Å; A604-L617 HydrophobicContact CB-CD1 3.9Å; A604-L617 HydrophobicContact CB-CD2 4.22Å; A604-L617 HydrophobicContact CB-CG 4.35Å; A604-L621 HydrophobicContact CB-CB 3.81Å; A604-V622 HydrophobicContact CB-CG2 3.99Å
605	A	85.8	Confident	79.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.2	-37	178.6	0	0	0	0	0	112.3	R547 A550 E551 M601 T602 K608 G609 L617	R547-A605 HydrophobicContact CG-CB 3.81Å; A550-A605 HydrophobicContact CB-CB 3.78Å; E551-A605 VanDerWaalsContact CA-O 3.32Å; E551-A605 WeakPolarHBondContact CA-O 3.17Å; M601-A605 WeakPolarHBondContact O-CB 3.31Å; M601-A605 PolarHBondContact O-N 2.96Å; M601-A605 VanDerWaalsContact O-N 3.07Å; T602-A605 PolarHBondContact O-N 2.82Å; T602-A605 VanDerWaalsContact O-N 3.17Å; A605-K608 WeakPolarHBondContact O-CB 3.47Å; A605-K608 PolarHBondContact O-N 3.18Å; A605-G609 PolarHBondContact O-N 3Å; A605-G609 VanDerWaalsContact O-N 3.14Å; A605-L617 HydrophobicContact CB-CD1 4.21Å; A605-L617 HydrophobicContact CB-CD2 4.21Å
606	F	89.6	Confident	79.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-45.8	169.6	-177.2	-76.1	0	0	0	111.6	I410 A550 L553 F557 T602 K608 G609 L610 L853 F855 M898	I410-F606 HydrophobicContact CD1-CD2 4.36Å; I410-F606 HydrophobicContact CD1-CE2 3.69Å; I410-F606 HydrophobicContact CD1-CZ 3.81Å; A550-F606 HydrophobicContact CB-CB 4.36Å; A550-F606 VanDerWaalsContact O-CA 3.31Å; A550-F606 WeakPolarHBondContact O-CA 3.35Å; L553-F606 HydrophobicContact CB-CD2 4.21Å; L553-F606 HydrophobicContact CB-CE2 4.19Å; L553-F606 HydrophobicContact CD2-CD2 4.22Å; L553-F606 HydrophobicContact CD2-CE2 3.81Å; L553-F606 HydrophobicContact CG-CD2 4.29Å; L553-F606 HydrophobicContact CG-CE2 3.81Å; F557-F606 HydrophobicContact CB-CE1 4.5Å; F557-F606 HydrophobicContact CB-CE2 4.44Å; F557-F606 HydrophobicContact CB-CZ 3.79Å; F557-F606 HydrophobicContact CD1-CE1 4.44Å; F557-F606 HydrophobicContact CD1-CE2 4.47Å; F557-F606 AromaticContact CD1-CZ 3.6Å; F557-F606 HydrophobicContact CD1-CZ 3.6Å; F557-F606 AromaticContact CD2-CE2 3.86Å; F557-F606 HydrophobicContact CD2-CE2 3.86Å; F557-F606 AromaticContact CD2-CZ 3.76Å; F557-F606 HydrophobicContact CD2-CZ 3.76Å; F557-F606 HydrophobicContact CE1-CZ 4Å; F557-F606 HydrophobicContact CE2-CE2 4.13Å; F557-F606 HydrophobicContact CE2-CZ 4.15Å; F557-F606 HydrophobicContact CG-CE1 4.46Å; F557-F606 HydrophobicContact CG-CE2 4.04Å; F557-F606 AromaticContact CG-CZ 3.45Å; F557-F606 HydrophobicContact CG-CZ 3.45Å; F557-F606 VanDerWaalsContact CG-CZ 3.45Å; F557-F606 HydrophobicContact CZ-CZ 4.26Å; T602-F606 WeakPolarHBondContact O-CB 2.96Å; T602-F606 PolarHBondContact O-N 3.22Å; F606-K608 VanDerWaalsContact C-N 3.26Å; F606-K608 PolarHBondContact O-N 2.85Å; F606-G609 PolarHBondContact O-N 2.92Å; F606-G609 VanDerWaalsContact O-N 3.13Å; F606-L610 HydrophobicContact CD1-CB 4.17Å; F606-L610 HydrophobicContact CD1-CD2 4.46Å; F606-L610 HydrophobicContact CE1-CB 4.12Å; F606-L610 HydrophobicContact CE1-CD1 3.93Å; F606-L610 HydrophobicContact CE1-CD2 4.03Å; F606-L610 HydrophobicContact CE1-CG 4.25Å; F606-L610 HydrophobicContact CZ-CD1 4.49Å; F606-L610 VanDerWaalsContact O-CB 3.25Å; F606-L610 WeakPolarHBondContact O-CB 3.12Å; F606-L610 PolarHBondContact O-N 2.82Å; F606-L853 HydrophobicContact CD1-CD1 4.1Å; F606-L853 HydrophobicContact CE1-CD1 3.52Å; F606-L853 HydrophobicContact CZ-CD1 4.38Å; F606-F855 HydrophobicContact CB-CE1 3.86Å; F606-F855 HydrophobicContact CB-CZ 3.59Å; F606-F855 HydrophobicContact CD1-CE2 4.32Å; F606-F855 AromaticContact CD1-CZ 3.6Å; F606-F855 HydrophobicContact CD1-CZ 3.6Å; F606-F855 AromaticContact CD2-CE1 3.99Å; F606-F855 HydrophobicContact CD2-CE1 3.99Å; F606-F855 AromaticContact CD2-CZ 3.76Å; F606-F855 HydrophobicContact CD2-CZ 3.76Å; F606-F855 HydrophobicContact CE1-CZ 4.13Å; F606-F855 HydrophobicContact CE2-CZ 4.23Å; F606-F855 AromaticContact CG-CE1 3.92Å; F606-F855 HydrophobicContact CG-CE1 3.92Å; F606-F855 HydrophobicContact CG-CE2 4.45Å; F606-F855 AromaticContact CG-CZ 3.39Å; F606-F855 HydrophobicContact CG-CZ 3.39Å; F606-F855 HydrophobicContact CZ-CZ 4.39Å; F606-M898 HydrophobicContact CD2-CE 4.32Å
607	A	85.4	Confident	78.2	Confident	2 Å²	2	29.9 Å²	29.9	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-39	176.2	0	0	0	0	0	111.6	I591 A603 A604 G609 L610 L611 L621	I591-A607 HydrophobicContact CD1-CB 3.73Å; A603-A607 WeakPolarHBondContact O-CB 3.44Å; A603-A607 PolarHBondContact O-N 3.24Å; A604-A607 WeakPolarHBondContact O-CB 3.36Å; A604-A607 PolarHBondContact O-N 2.79Å; A607-G609 PolarHBondContact O-N 2.82Å; A607-L610 PolarHBondContact O-N 2.9Å; A607-L611 HydrophobicContact CB-CD1 4.37Å; A607-L611 WeakPolarHBondContact O-CB 3.2Å; A607-L611 WeakPolarHBondContact O-CD1 3.29Å; A607-L611 WeakPolarHBondContact O-CG 3.42Å; A607-L611 PolarHBondContact O-N 2.97Å; A607-L621 HydrophobicContact CB-CD2 4.17Å
608	K	81.1	Confident	77.3	Confident	24 Å²	24	29.2 Å²	29.2	10%	0.104	16%	0.163	C	C	.	.	H	α-helix	trans	-54.8	-51.4	172.1	-167.7	-163.8	151.3	-161.7	0	111.6	E551 A604 A605 F606 A612 L613 G615 L617 L621	E551-K608 VanDerWaalsContact CD-CE 3.5Å; E551-K608 HydrophobicContact CG-CD 4.47Å; E551-K608 VanDerWaalsContact OE1-CE 3.23Å; E551-K608 WeakPolarHBondContact OE1-CE 3.44Å; E551-K608 IonicContact OE1-NZ 2.84Å; E551-K608 PolarHBondContact OE1-NZ 3.35Å; E551-K608 WeakPolarHBondContact OE2-CD 3.46Å; E551-K608 WeakPolarHBondContact OE2-CE 3.49Å; E551-K608 IonicContact OE2-NZ 3.57Å; E551-K608 PolarHBondContact OE2-NZ 2.95Å; A604-K608 PolarHBondContact O-N 3.28Å; A605-K608 WeakPolarHBondContact O-CB 3.47Å; A605-K608 PolarHBondContact O-N 3.18Å; F606-K608 VanDerWaalsContact C-N 3.26Å; F606-K608 PolarHBondContact O-N 2.85Å; K608-A612 PolarHBondContact O-N 3.16Å; K608-L613 HydrophobicContact CB-CB 4.33Å; K608-L613 WeakPolarHBondContact CE-O 3.33Å; K608-L613 HydrophobicContact CG-CB 3.63Å; K608-L613 WeakPolarHBondContact CG-O 3.37Å; K608-L613 WeakPolarHBondContact O-CB 3.34Å; K608-L613 WeakPolarHBondContact O-CG 3.35Å; K608-L613 PolarHBondContact O-N 3.09Å; K608-G615 WeakPolarHBondContact CE-O 3.37Å; K608-G615 PolarHBondContact NZ-O 3.19Å; K608-L617 HydrophobicContact CB-CD1 4.35Å; K608-L621 HydrophobicContact CB-CD1 4.16Å
609	G	79.4	Confident	75.8	Confident	3 Å²	3	32.8 Å²	32.8	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-46.1	176.5	0	0	0	0	0	113.5	E551 R558 A605 F606 A607 L611 A612	E551-G609 WeakPolarHBondContact O-CA 3.39Å; R558-G609 WeakPolarHBondContact CD-O 3.37Å; R558-G609 PolarHBondContact NH1-O 3.33Å; A605-G609 PolarHBondContact O-N 3Å; A605-G609 VanDerWaalsContact O-N 3.14Å; F606-G609 PolarHBondContact O-N 2.92Å; F606-G609 VanDerWaalsContact O-N 3.13Å; A607-G609 PolarHBondContact O-N 2.82Å; G609-L611 VanDerWaalsContact C-N 3.26Å; G609-L611 PolarHBondContact O-N 2.99Å; G609-A612 PolarHBondContact O-N 3.37Å
610	L	81.4	Confident	74.3	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-31.5	-177.9	-173.1	76.3	0	0	0	113.3	G554 F557 R558 L578 L579 L589 F606 A607 L853	G554-L610 VanDerWaalsContact O-CA 3.31Å; G554-L610 WeakPolarHBondContact O-CA 3.47Å; F557-L610 HydrophobicContact CB-CD1 3.78Å; R558-L610 WeakPolarHBondContact CD-O 3.34Å; R558-L610 HydrophobicContact CG-CD1 4.37Å; R558-L610 VanDerWaalsContact CG-O 3.23Å; R558-L610 WeakPolarHBondContact CG-O 3.38Å; L578-L610 HydrophobicContact CD2-CD1 3.48Å; L578-L610 VanDerWaalsContact CD2-CD1 3.48Å; L578-L610 HydrophobicContact CD2-CD2 4.47Å; L578-L610 HydrophobicContact CD2-CG 3.7Å; L579-L610 VanDerWaalsContact CD2-O 3.26Å; L579-L610 WeakPolarHBondContact CD2-O 3.44Å; L589-L610 HydrophobicContact CD1-CD2 4.4Å; L589-L610 HydrophobicContact CD2-CD2 4.06Å; F606-L610 HydrophobicContact CD1-CB 4.17Å; F606-L610 HydrophobicContact CD1-CD2 4.46Å; F606-L610 HydrophobicContact CE1-CB 4.12Å; F606-L610 HydrophobicContact CE1-CD1 3.93Å; F606-L610 HydrophobicContact CE1-CD2 4.03Å; F606-L610 HydrophobicContact CE1-CG 4.25Å; F606-L610 HydrophobicContact CZ-CD1 4.49Å; F606-L610 VanDerWaalsContact O-CB 3.25Å; F606-L610 WeakPolarHBondContact O-CB 3.12Å; F606-L610 PolarHBondContact O-N 2.82Å; A607-L610 PolarHBondContact O-N 2.9Å; L610-L853 HydrophobicContact CD2-CD1 3.75Å
611	L	76.8	Confident	73.2	Confident	23 Å²	23	32.6 Å²	32.6	12%	0.12	19%	0.189	C	C	.	.	H	α-helix	trans	-107.2	3.8	-172.6	-59.7	160.6	0	0	0	113.3	I308 L579 L589 A607 G609 L613	I308-L611 HydrophobicContact CD1-CD1 3.69Å; I308-L611 HydrophobicContact CD1-CD2 4.5Å; I308-L611 HydrophobicContact CG1-CD1 3.9Å; L579-L611 VanDerWaalsContact CD2-C 3.45Å; L589-L611 HydrophobicContact CD2-CD2 3.92Å; A607-L611 HydrophobicContact CB-CD1 4.37Å; A607-L611 WeakPolarHBondContact O-CB 3.2Å; A607-L611 WeakPolarHBondContact O-CD1 3.29Å; A607-L611 WeakPolarHBondContact O-CG 3.42Å; A607-L611 PolarHBondContact O-N 2.97Å; G609-L611 VanDerWaalsContact C-N 3.26Å; G609-L611 PolarHBondContact O-N 2.99Å; L611-L613 HydrophobicContact CB-CD1 3.77Å; L611-L613 HydrophobicContact CB-CD2 3.61Å; L611-L613 HydrophobicContact CB-CG 3.6Å; L611-L613 HydrophobicContact CD1-CD1 4.06Å; L611-L613 VanDerWaalsContact O-CD2 3.32Å; L611-L613 WeakPolarHBondContact O-CD2 3.3Å
612	A	73.2	Confident	72.1	Confident	49 Å²	49	31 Å²	31	41%	0.405	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	51.2	-177	0	0	0	0	0	113.7	L579 K608 G609	L579-A612 HydrophobicContact CD1-CB 3.58Å; L579-A612 HydrophobicContact CD2-CB 4.31Å; K608-A612 PolarHBondContact O-N 3.16Å; G609-A612 PolarHBondContact O-N 3.37Å
613	L	68.8	Low	70.5	Confident	28 Å²	28	34.5 Å²	34.5	15%	0.147	20%	0.198	C	C	.	.			trans	-96.3	120.1	-169.3	-56	-173.6	0	0	0	111.7	P306 K608 L611 L621	P306-L613 HydrophobicContact CB-CD1 3.94Å; P306-L613 HydrophobicContact CB-CD2 3.38Å; P306-L613 HydrophobicContact CB-CG 4.11Å; P306-L613 HydrophobicContact CG-CB 3.81Å; P306-L613 HydrophobicContact CG-CD1 3.22Å; P306-L613 HydrophobicContact CG-CD2 3.46Å; P306-L613 VanDerWaalsContact CG-CD2 3.46Å; P306-L613 HydrophobicContact CG-CG 3.6Å; K608-L613 HydrophobicContact CB-CB 4.33Å; K608-L613 WeakPolarHBondContact CE-O 3.33Å; K608-L613 HydrophobicContact CG-CB 3.63Å; K608-L613 WeakPolarHBondContact CG-O 3.37Å; K608-L613 WeakPolarHBondContact O-CB 3.34Å; K608-L613 WeakPolarHBondContact O-CG 3.35Å; K608-L613 PolarHBondContact O-N 3.09Å; L611-L613 HydrophobicContact CB-CD1 3.77Å; L611-L613 HydrophobicContact CB-CD2 3.61Å; L611-L613 HydrophobicContact CB-CG 3.6Å; L611-L613 HydrophobicContact CD1-CD1 4.06Å; L611-L613 VanDerWaalsContact O-CD2 3.32Å; L611-L613 WeakPolarHBondContact O-CD2 3.3Å; L613-L621 HydrophobicContact CD1-CD1 4.19Å; L613-L621 HydrophobicContact CD1-CD2 3.96Å
614	E	61.8	Low	69.1	Low	140 Å²	140	36.9 Å²	36.9	65%	0.654	21%	0.21	S	C	*	.			trans	-77.6	157	177.5	-63.8	178.4	-164.5	0	0	111.9
615	G	61.9	Low	67.9	Low	56 Å²	56	37 Å²	37	58%	0.577	21%	0.21	S	C	*	.	S	Bend	trans	90.4	-165.9	176	0	0	0	0	0	115.9	K608	K608-G615 WeakPolarHBondContact CE-O 3.37Å; K608-G615 PolarHBondContact NZ-O 3.19Å
616	E	60.2	Low	66.7	Low	166 Å²	166	42.2 Å²	42.2	78%	0.776	23%	0.233	S	C	*	.	S	Bend	trans	-75.3	168.9	177.8	-64.5	-153.8	142.8	0	0	113	T618	E616-T618 WeakPolarHBondContact O-CG2 3.4Å; E616-T618 PolarHBondContact O-N 3.45Å
617	L	57.1	Low	64.8	Low	18 Å²	18	44 Å²	44	9%	0.094	25%	0.246	C	C	.	.			trans	-73	113.7	175.1	-170.8	65.6	0	0	0	110.8	M601 A604 A605 K608 L621	M601-L617 HydrophobicContact CE-CD2 3.8Å; M601-L617 HydrophobicContact SD-CD2 4.19Å; A604-L617 VanDerWaalsContact C-CD1 3.49Å; A604-L617 HydrophobicContact CB-CD1 3.9Å; A604-L617 HydrophobicContact CB-CD2 4.22Å; A604-L617 HydrophobicContact CB-CG 4.35Å; A605-L617 HydrophobicContact CB-CD1 4.21Å; A605-L617 HydrophobicContact CB-CD2 4.21Å; K608-L617 HydrophobicContact CB-CD1 4.35Å; L617-L621 HydrophobicContact CD1-CD1 3.99Å
618	T	55.9	Low	62.9	Low	10 Å²	10	48.5 Å²	48.5	6%	0.061	28%	0.283	C	S	.	.			trans	-83.2	146.6	-169.2	74.3	0	0	0	0	112.2	Y305 E616 I620 L621	Y305-T618 HydrophobicContact CD1-CG2 3.41Å; Y305-T618 VanDerWaalsContact CD1-CG2 3.41Å; Y305-T618 HydrophobicContact CE1-CG2 4.27Å; Y305-T618 HydrophobicContact CG-CG2 4.05Å; E616-T618 WeakPolarHBondContact O-CG2 3.4Å; E616-T618 PolarHBondContact O-N 3.45Å; T618-I620 PolarHBondContact O-N 3.44Å; T618-I620 WeakPolarHBondContact OG1-CG2 3.42Å; T618-L621 HydrophobicContact CG2-CD1 4.46Å; T618-L621 PolarHBondContact O-N 3.25Å; T618-L621 WeakPolarHBondContact OG1-CD1 3.34Å; T618-L621 VanDerWaalsContact OG1-CG 3.29Å; T618-L621 WeakPolarHBondContact OG1-CG 3.37Å; T618-L621 PolarHBondContact OG1-N 3.18Å
619	P	54.8	Low	61.5	Low	97 Å²	97	54.4 Å²	54.4	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-58.5	-34.8	175.5	-26.5	35.5	0	0	0	113.5	L621 V622 Q623	P619-L621 VanDerWaalsContact C-N 3.34Å; P619-L621 PolarHBondContact O-N 3.49Å; P619-V622 WeakPolarHBondContact O-CB 3.29Å; P619-V622 PolarHBondContact O-N 3.01Å; P619-V622 VanDerWaalsContact O-N 3.13Å; P619-Q623 PolarHBondContact O-N 2.8Å; P619-Q623 VanDerWaalsContact O-N 3.09Å
620	I	54.4	Low	60.3	Low	9 Å²	9	54.5 Å²	54.5	5%	0.046	32%	0.315	C	S	.	.	H	α-helix	trans	-67.6	-29.5	-179.8	-164.9	172	0	0	0	112.9	A284 Y305 V307 T618 V622 Q623 M624	A284-I620 HydrophobicContact CB-CD1 3.89Å; Y305-I620 VanDerWaalsContact CB-CG2 3.5Å; Y305-I620 HydrophobicContact CD2-CG2 4.35Å; Y305-I620 HydrophobicContact CG-CG2 4.13Å; V307-I620 HydrophobicContact CG2-CD1 4.21Å; T618-I620 PolarHBondContact O-N 3.44Å; T618-I620 WeakPolarHBondContact OG1-CG2 3.42Å; I620-V622 VanDerWaalsContact C-N 3.31Å; I620-V622 PolarHBondContact O-N 3.34Å; I620-Q623 PolarHBondContact O-N 2.64Å; I620-M624 HydrophobicContact CG1-CG 4.49Å; I620-M624 HydrophobicContact CG1-SD 4.49Å; I620-M624 WeakPolarHBondContact O-CB 3.4Å; I620-M624 VanDerWaalsContact O-CG 3.32Å; I620-M624 WeakPolarHBondContact O-CG 3.41Å; I620-M624 PolarHBondContact O-N 2.82Å
621	L	61.1	Low	59.1	Low	2 Å²	2	60.4 Å²	60.4	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-65.8	-35.4	171.9	-74.3	168.2	0	0	0	111.6	A604 A607 K608 L613 L617 T618 P619 Q623 M624 V625	A604-L621 HydrophobicContact CB-CB 3.81Å; A607-L621 HydrophobicContact CB-CD2 4.17Å; K608-L621 HydrophobicContact CB-CD1 4.16Å; L613-L621 HydrophobicContact CD1-CD1 4.19Å; L613-L621 HydrophobicContact CD1-CD2 3.96Å; L617-L621 HydrophobicContact CD1-CD1 3.99Å; T618-L621 HydrophobicContact CG2-CD1 4.46Å; T618-L621 PolarHBondContact O-N 3.25Å; T618-L621 WeakPolarHBondContact OG1-CD1 3.34Å; T618-L621 VanDerWaalsContact OG1-CG 3.29Å; T618-L621 WeakPolarHBondContact OG1-CG 3.37Å; T618-L621 PolarHBondContact OG1-N 3.18Å; P619-L621 VanDerWaalsContact C-N 3.34Å; P619-L621 PolarHBondContact O-N 3.49Å; L621-Q623 VanDerWaalsContact C-N 3.32Å; L621-M624 HydrophobicContact CD2-CE 4.33Å; L621-M624 HydrophobicContact CD2-SD 4.47Å; L621-V625 WeakPolarHBondContact O-CG2 3.15Å; L621-V625 PolarHBondContact O-N 2.88Å
622	V	59.7	Low	58.3	Low	22 Å²	22	60.9 Å²	60.9	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-68	-34.8	173.6	-167.4	0	0	0	0	110.8	Q600 M601 A604 P619 I620 K626	Q600-V622 HydrophobicContact CB-CG1 4.01Å; M601-V622 HydrophobicContact SD-CG1 4.32Å; M601-V622 HydrophobicContact SD-CG2 3.56Å; M601-V622 VanDerWaalsContact SD-CG2 3.56Å; A604-V622 HydrophobicContact CB-CG2 3.99Å; P619-V622 WeakPolarHBondContact O-CB 3.29Å; P619-V622 PolarHBondContact O-N 3.01Å; P619-V622 VanDerWaalsContact O-N 3.13Å; I620-V622 VanDerWaalsContact C-N 3.31Å; I620-V622 PolarHBondContact O-N 3.34Å; V622-K626 WeakPolarHBondContact O-CG 3.27Å; V622-K626 PolarHBondContact O-N 2.65Å
623	Q	58.3	Low	58.1	Low	75 Å²	75	59.6 Å²	59.6	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-73	-41.1	175.8	-169.1	-168.9	-4.8	0	0	112.9	D266 P619 I620 L621 V625 K626	D266-Q623 PolarHBondContact OD1-NE2 2.94Å; D266-Q623 PolarHBondContact OD2-NE2 2.9Å; P619-Q623 PolarHBondContact O-N 2.8Å; P619-Q623 VanDerWaalsContact O-N 3.09Å; I620-Q623 PolarHBondContact O-N 2.64Å; L621-Q623 VanDerWaalsContact C-N 3.32Å; Q623-V625 PolarHBondContact O-N 3.19Å; Q623-V625 VanDerWaalsContact O-N 3.14Å; Q623-K626 CarbonylContact O-C 3.22Å; Q623-K626 WeakPolarHBondContact O-CA 3.46Å; Q623-K626 WeakPolarHBondContact O-CB 3.45Å; Q623-K626 PolarHBondContact O-N 3.42Å
624	M	59.7	Low	58	Low	49 Å²	49	58.2 Å²	58.2	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-25	176.7	-76.8	169.8	45.5	0	0	113	I308 I620 L621	I308-M624 HydrophobicContact CB-CE 3.71Å; I308-M624 HydrophobicContact CD1-CE 3.6Å; I308-M624 HydrophobicContact CG1-CE 3.62Å; I620-M624 HydrophobicContact CG1-CG 4.49Å; I620-M624 HydrophobicContact CG1-SD 4.49Å; I620-M624 WeakPolarHBondContact O-CB 3.4Å; I620-M624 VanDerWaalsContact O-CG 3.32Å; I620-M624 WeakPolarHBondContact O-CG 3.41Å; I620-M624 PolarHBondContact O-N 2.82Å; L621-M624 HydrophobicContact CD2-CE 4.33Å; L621-M624 HydrophobicContact CD2-SD 4.47Å
625	V	60.3	Low	58.1	Low	2 Å²	2	54 Å²	54	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-81.1	-27.6	173.1	169	0	0	0	0	112.4	I591 A593 Q600 A603 L621 Q623 S627	I591-V625 HydrophobicContact CB-CG2 4.45Å; I591-V625 HydrophobicContact CG2-CG2 3.9Å; A593-V625 HydrophobicContact CB-CG1 3.28Å; Q600-V625 HydrophobicContact CB-CG1 4.47Å; A603-V625 HydrophobicContact CB-CB 4.28Å; A603-V625 HydrophobicContact CB-CG1 3.61Å; A603-V625 HydrophobicContact CB-CG2 3.63Å; L621-V625 WeakPolarHBondContact O-CG2 3.15Å; L621-V625 PolarHBondContact O-N 2.88Å; Q623-V625 PolarHBondContact O-N 3.19Å; Q623-V625 VanDerWaalsContact O-N 3.14Å; V625-S627 PolarHBondContact O-N 3.38Å
626	K	60.2	Low	58	Low	111 Å²	111	55.2 Å²	55.2	48%	0.483	31%	0.311	S	S	.	.			trans	-78.8	62	174.1	-70.5	174.3	178.7	178.9	0	111.3	V622 Q623 A628	V622-K626 WeakPolarHBondContact O-CG 3.27Å; V622-K626 PolarHBondContact O-N 2.65Å; Q623-K626 CarbonylContact O-C 3.22Å; Q623-K626 WeakPolarHBondContact O-CA 3.46Å; Q623-K626 WeakPolarHBondContact O-CB 3.45Å; Q623-K626 PolarHBondContact O-N 3.42Å; K626-A628 PolarHBondContact O-N 2.76Å
627	S	50.4	Low	57.8	Low	37 Å²	37	51.3 Å²	51.3	26%	0.259	30%	0.296	S	S	.	.			trans	-64	133.1	169.6	74.9	0	0	0	0	109.7	Y592 V625 N629 T630	Y592-S627 WeakPolarHBondContact CD1-OG 3.49Å; V625-S627 PolarHBondContact O-N 3.38Å; S627-N629 PolarHBondContact O-N 2.82Å; S627-T630 PolarHBondContact O-N 2.76Å; S627-T630 PolarHBondContact O-OG1 2.68Å
628	A	45	Very low	57.7	Low	96 Å²	96	55 Å²	55	79%	0.793	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	7.7	-167.9	0	0	0	0	0	117.2	K626	K626-A628 PolarHBondContact O-N 2.76Å
629	N	52	Low	57.9	Low	149 Å²	149	58.9 Å²	58.9	80%	0.797	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	31.6	-174.2	-74.3	-37.7	0	0	0	113.2	S627	S627-N629 PolarHBondContact O-N 2.82Å
630	T	54.5	Low	58.4	Low	4 Å²	4	54.7 Å²	54.7	3%	0.025	32%	0.316	C	S	.	.			trans	-89.6	-15	176	35.2	0	0	0	0	115.4	Y592 S627 G632 L633	Y592-T630 HydrophobicContact CD1-CG2 3.98Å; S627-T630 PolarHBondContact O-N 2.76Å; S627-T630 PolarHBondContact O-OG1 2.68Å; T630-G632 PolarHBondContact O-N 2.87Å; T630-G632 VanDerWaalsContact O-N 3.16Å; T630-L633 VanDerWaalsContact O-CB 3.3Å; T630-L633 WeakPolarHBondContact O-CB 3.4Å; T630-L633 PolarHBondContact O-N 3.4Å
631	N	55.1	Low	59.3	Low	126 Å²	126	56.6 Å²	56.6	67%	0.674	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	118	-176.7	-60.5	-1.9	0	0	0	111.2	L633	N631-L633 PolarHBondContact O-N 3.16Å
632	G	60.6	Low	60.1	Low	32 Å²	32	62.9 Å²	62.9	33%	0.33	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	6.7	-178.6	0	0	0	0	0	115.2	T630 D635 P810	T630-G632 PolarHBondContact O-N 2.87Å; T630-G632 VanDerWaalsContact O-N 3.16Å; G632-D635 PolarHBondContact N-OD2 3.3Å; G632-P810 WeakPolarHBondContact O-CB 3.2Å
633	L	68.4	Low	61	Low	22 Å²	22	68.2 Å²	68.2	12%	0.115	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-30.7	167.1	-178.1	62.1	0	0	0	111.9	T630 N631 P810 K814 Y854	T630-L633 VanDerWaalsContact O-CB 3.3Å; T630-L633 WeakPolarHBondContact O-CB 3.4Å; T630-L633 PolarHBondContact O-N 3.4Å; N631-L633 PolarHBondContact O-N 3.16Å; L633-P810 HydrophobicContact CD1-CB 4.17Å; L633-P810 WeakPolarHBondContact CD1-O 3.15Å; L633-K814 HydrophobicContact CD1-CB 3.73Å; L633-K814 HydrophobicContact CD1-CG 4.19Å; L633-K814 HydrophobicContact CD2-CG 4.27Å; L633-Y854 HydrophobicContact CD2-CE1 4.2Å
634	L	66.9	Low	62.1	Low	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.366	C	S	.	.	S	Bend	trans	-135.8	21.2	-174.2	-62.5	172.8	0	0	0	112	A593 S594 L811 Y854 H860	A593-L634 VanDerWaalsContact C-CD1 3.48Å; S594-L634 WeakPolarHBondContact CB-O 3.47Å; S594-L634 PolarHBondContact OG-O 3.12Å; L634-L811 HydrophobicContact CD2-CD1 4Å; L634-L811 HydrophobicContact CD2-CD2 4.13Å; L634-Y854 HydrophobicContact CD1-CD1 4.34Å; L634-Y854 HydrophobicContact CD2-CD1 4.29Å; L634-H860 VanDerWaalsContact C-NE2 3.34Å; L634-H860 PolarHBondContact O-CE1 3.03Å
635	D	64.7	Low	63.3	Low	51 Å²	51	68.7 Å²	68.7	27%	0.273	38%	0.38	S	S	.	.	S	Bend	trans	-128	135.9	-179.6	-47.1	-60.6	0	0	0	108.7	S594 G632 D637	S594-D635 PolarHBondContact OG-OD1 2.92Å; G632-D635 PolarHBondContact N-OD2 3.3Å; D635-D637 PolarHBondContact O-N 3.12Å
636	N	59.1	Low	64.6	Low	82 Å²	82	72.8 Å²	72.8	44%	0.439	40%	0.402	S	S	.	.			trans	-67	127.3	-168.9	-58.8	7.7	0	0	0	113.4	S859 H860	N636-S859 PolarHBondContact OD1-OG 3.26Å; N636-H860 PolarHBondContact OD1-CE1 2.75Å; N636-H860 VanDerWaalsContact OD1-CE1 3.24Å
637	D	55.1	Low	65.8	Low	84 Å²	84	67.6 Å²	67.6	45%	0.449	38%	0.379	S	S	.	.			trans	-67.8	146.5	170.5	-82.1	-42.4	0	0	0	112.9	D635 D639 S640	D635-D637 PolarHBondContact O-N 3.12Å; D637-D639 PolarHBondContact O-N 2.67Å; D637-S640 PolarHBondContact O-OG 3.19Å
638	C	55.9	Low	67.7	Low	95 Å²	95	68.5 Å²	68.5	64%	0.642	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-31.9	-166.8	56.1	0	0	0	0	115.2	S640 S641	C638-S640 PolarHBondContact O-N 2.92Å; C638-S641 WeakPolarHBondContact O-CB 3.49Å; C638-S641 PolarHBondContact O-N 2.77Å; C638-S641 PolarHBondContact O-OG 2.56Å
639	D	59.7	Low	69.8	Low	91 Å²	91	65.3 Å²	65.3	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-27.6	-173.5	-74.1	-72.6	0	0	0	113.9	D637 S641 K642	D637-D639 PolarHBondContact O-N 2.67Å; D639-S641 PolarHBondContact O-N 3.21Å; D639-S641 VanDerWaalsContact O-N 3.1Å; D639-K642 PolarHBondContact O-N 2.82Å; D639-K642 IonicContact OD1-NZ 2.66Å; D639-K642 PolarHBondContact OD1-NZ 3.13Å
640	S	66.3	Low	71.5	Confident	10 Å²	10	63.1 Å²	63.1	7%	0.07	34%	0.336	C	S	.	.	H	α-helix	trans	-53.6	-31.6	174.5	66.5	0	0	0	0	112.9	D637 C638 K642 Q644	D637-S640 PolarHBondContact O-OG 3.19Å; C638-S640 PolarHBondContact O-N 2.92Å; S640-K642 VanDerWaalsContact C-N 3.26Å; S640-K642 PolarHBondContact O-N 3.33Å; S640-Q644 PolarHBondContact O-N 3.17Å
641	S	72.1	Confident	73.3	Confident	49 Å²	49	63.1 Å²	63.1	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-63.2	-25.8	-176.5	69.4	0	0	0	0	114.4	C638 D639 Q644 N645	C638-S641 WeakPolarHBondContact O-CB 3.49Å; C638-S641 PolarHBondContact O-N 2.77Å; C638-S641 PolarHBondContact O-OG 2.56Å; D639-S641 PolarHBondContact O-N 3.21Å; D639-S641 VanDerWaalsContact O-N 3.1Å; S641-Q644 PolarHBondContact O-N 2.95Å; S641-N645 WeakPolarHBondContact O-CB 3.28Å; S641-N645 PolarHBondContact O-N 3.37Å; S641-N645 PolarHBondContact O-ND2 3.43Å
642	K	78.5	Confident	75	Confident	133 Å²	133	60 Å²	60	58%	0.578	32%	0.317	S	S	*	.	H	α-helix	trans	-64.8	-53.3	-178.9	-65.9	166.1	-179.8	163.7	0	111	D639 S640 Q644 N645 L646	D639-K642 PolarHBondContact O-N 2.82Å; D639-K642 IonicContact OD1-NZ 2.66Å; D639-K642 PolarHBondContact OD1-NZ 3.13Å; S640-K642 VanDerWaalsContact C-N 3.26Å; S640-K642 PolarHBondContact O-N 3.33Å; K642-Q644 VanDerWaalsContact C-N 3.33Å; K642-Q644 PolarHBondContact O-N 3.22Å; K642-N645 PolarHBondContact O-N 2.83Å; K642-L646 PolarHBondContact O-N 3.47Å
643	Y	77.8	Confident	76.3	Confident	134 Å²	134	64.8 Å²	64.8	53%	0.525	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-38.7	176.5	-63.8	-82.3	0	0	0	111.6	N645 L646 A647	Y643-N645 VanDerWaalsContact C-N 3.35Å; Y643-N645 PolarHBondContact O-N 3.17Å; Y643-L646 PolarHBondContact O-N 3.15Å; Y643-A647 PolarHBondContact O-N 2.86Å
644	Q	82.4	Confident	77.4	Confident	32 Å²	32	65.1 Å²	65.1	15%	0.15	33%	0.332	C	S	.	.	H	α-helix	trans	-61.1	-42.5	177.4	-151.5	-171.4	17.6	0	0	112.3	S640 S641 K642 A647 K648 E792 I803	S640-Q644 PolarHBondContact O-N 3.17Å; S641-Q644 PolarHBondContact O-N 2.95Å; K642-Q644 VanDerWaalsContact C-N 3.33Å; K642-Q644 PolarHBondContact O-N 3.22Å; Q644-A647 PolarHBondContact O-N 3.08Å; Q644-K648 HydrophobicContact CG-CD 4.49Å; Q644-K648 WeakPolarHBondContact O-CD 3.43Å; Q644-K648 VanDerWaalsContact O-CG 3.25Å; Q644-K648 WeakPolarHBondContact O-CG 3.15Å; Q644-K648 PolarHBondContact O-N 3.07Å; Q644-E792 WeakPolarHBondContact CG-O 3.4Å; Q644-I803 HydrophobicContact CB-CD1 4.44Å
645	N	85.1	Confident	78.5	Confident	102 Å²	102	65.2 Å²	65.2	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-35.9	177.1	-70	-32.3	0	0	0	112.7	S641 K642 Y643 K648 G649	S641-N645 WeakPolarHBondContact O-CB 3.28Å; S641-N645 PolarHBondContact O-N 3.37Å; S641-N645 PolarHBondContact O-ND2 3.43Å; K642-N645 PolarHBondContact O-N 2.83Å; Y643-N645 VanDerWaalsContact C-N 3.35Å; Y643-N645 PolarHBondContact O-N 3.17Å; N645-K648 PolarHBondContact O-N 3.22Å; N645-G649 PolarHBondContact O-N 3.15Å
646	L	86.2	Confident	79.7	Confident	89 Å²	89	65.9 Å²	65.9	47%	0.466	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-43.2	175.5	-175	66.2	0	0	0	111.8	K642 Y643 G649 R650	K642-L646 PolarHBondContact O-N 3.47Å; Y643-L646 PolarHBondContact O-N 3.15Å; L646-G649 PolarHBondContact O-N 3.1Å; L646-R650 PolarHBondContact O-N 2.99Å
647	A	87	Confident	81.1	Confident	1 Å²	1	65 Å²	65	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-47.9	175	0	0	0	0	0	111.8	Y643 Q644 G649 R650 L651 L795	Y643-A647 PolarHBondContact O-N 2.86Å; Q644-A647 PolarHBondContact O-N 3.08Å; A647-G649 VanDerWaalsContact C-N 3.3Å; A647-G649 PolarHBondContact O-N 3.15Å; A647-R650 PolarHBondContact O-N 3.43Å; A647-L651 WeakPolarHBondContact O-CB 3.37Å; A647-L651 PolarHBondContact O-N 3.42Å; A647-L795 HydrophobicContact CB-CD1 3.74Å
648	K	88.8	Confident	82.8	Confident	57 Å²	57	66.2 Å²	66.2	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-40.3	174.3	-72.5	160.8	178.3	-88.3	0	112.5	Q644 N645 H652 E792	Q644-K648 HydrophobicContact CG-CD 4.49Å; Q644-K648 WeakPolarHBondContact O-CD 3.43Å; Q644-K648 VanDerWaalsContact O-CG 3.25Å; Q644-K648 WeakPolarHBondContact O-CG 3.15Å; Q644-K648 PolarHBondContact O-N 3.07Å; N645-K648 PolarHBondContact O-N 3.22Å; K648-H652 VanDerWaalsContact O-CB 3.26Å; K648-H652 WeakPolarHBondContact O-CB 3.44Å; K648-H652 PolarHBondContact O-N 3Å; K648-E792 HydrophobicContact CG-CB 4.39Å; K648-E792 HydrophobicContact CG-CG 4.37Å; K648-E792 IonicContact NZ-OE1 3.63Å; K648-E792 PolarHBondContact NZ-OE1 2.84Å; K648-E792 IonicContact NZ-OE2 3.3Å; K648-E792 PolarHBondContact NZ-OE2 2.8Å
649	G	89	Confident	84.6	Confident	29 Å²	29	66.7 Å²	66.7	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-57.3	177.8	0	0	0	0	0	112.6	N645 L646 A647 L651 H652 E653	N645-G649 PolarHBondContact O-N 3.15Å; L646-G649 PolarHBondContact O-N 3.1Å; A647-G649 VanDerWaalsContact C-N 3.3Å; A647-G649 PolarHBondContact O-N 3.15Å; G649-L651 VanDerWaalsContact C-N 3.3Å; G649-L651 PolarHBondContact O-N 3.36Å; G649-H652 WeakPolarHBondContact O-CB 3.46Å; G649-H652 PolarHBondContact O-N 2.85Å; G649-H652 VanDerWaalsContact O-N 3.1Å; G649-E653 WeakPolarHBondContact O-CG 3.4Å; G649-E653 PolarHBondContact O-N 2.63Å
650	R	89.2	Confident	86.1	Confident	102 Å²	102	68.5 Å²	68.5	39%	0.385	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-39.7	178.6	-62.9	-175.5	-165.9	145.2	4.1	112.7	L646 A647 H652 E653 L654 E799	L646-R650 PolarHBondContact O-N 2.99Å; A647-R650 PolarHBondContact O-N 3.43Å; R650-H652 VanDerWaalsContact C-N 3.32Å; R650-H652 PolarHBondContact O-N 2.92Å; R650-E653 PolarHBondContact O-N 2.87Å; R650-L654 WeakPolarHBondContact O-CG 3.31Å; R650-L654 PolarHBondContact O-N 3.28Å; R650-E799 IonicContact CZ-OE1 3.99Å; R650-E799 IonicContact NH1-OE1 2.69Å; R650-E799 PolarHBondContact NH1-OE1 3.23Å; R650-E799 IonicContact NH2-OE1 2.64Å
651	L	91	Very high	87.4	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-37.8	177	-175.4	64	0	0	0	111.8	A647 G649 M655 I669 Q791	A647-L651 WeakPolarHBondContact O-CB 3.37Å; A647-L651 PolarHBondContact O-N 3.42Å; G649-L651 VanDerWaalsContact C-N 3.3Å; G649-L651 PolarHBondContact O-N 3.36Å; L651-M655 HydrophobicContact CD1-CG 4.23Å; L651-M655 HydrophobicContact CG-CG 4.47Å; L651-M655 VanDerWaalsContact O-CB 3.3Å; L651-M655 WeakPolarHBondContact O-CB 3.47Å; L651-M655 WeakPolarHBondContact O-CG 3.45Å; L651-M655 PolarHBondContact O-N 2.79Å; L651-I669 HydrophobicContact CD1-CG2 4.39Å; L651-Q791 HydrophobicContact CD1-CB 4.23Å; L651-Q791 HydrophobicContact CD2-CB 3.74Å
652	H	90.5	Very high	88.4	Confident	62 Å²	62	68.5 Å²	68.5	29%	0.287	33%	0.327	S	S	.	.	H	α-helix	trans	-67.7	-37.4	176.4	-175.1	34.3	0	0	0	112.3	K648 G649 R650 Q656 F746 I748	K648-H652 VanDerWaalsContact O-CB 3.26Å; K648-H652 WeakPolarHBondContact O-CB 3.44Å; K648-H652 PolarHBondContact O-N 3Å; G649-H652 WeakPolarHBondContact O-CB 3.46Å; G649-H652 PolarHBondContact O-N 2.85Å; G649-H652 VanDerWaalsContact O-N 3.1Å; R650-H652 VanDerWaalsContact C-N 3.32Å; R650-H652 PolarHBondContact O-N 2.92Å; H652-Q656 PolarHBondContact CE1-NE2 2.77Å; H652-Q656 PolarHBondContact ND1-NE2 3.28Å; H652-Q656 PolarHBondContact NE2-NE2 3.03Å; H652-Q656 WeakPolarHBondContact O-CG 3.32Å; H652-Q656 PolarHBondContact O-N 2.96Å; H652-F746 PolarHBondContact CE1-O 2.9Å; H652-I748 WeakPolarHBondContact ND1-CG1 3.39Å
653	E	89.6	Confident	89	Confident	131 Å²	131	68.3 Å²	68.3	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-64.3	-49.3	172.7	-69	162.6	-176.5	0	0	111.4	G649 R650 M655 Q656 N657	G649-E653 WeakPolarHBondContact O-CG 3.4Å; G649-E653 PolarHBondContact O-N 2.63Å; R650-E653 PolarHBondContact O-N 2.87Å; E653-M655 VanDerWaalsContact C-N 3.32Å; E653-M655 PolarHBondContact O-N 3.36Å; E653-Q656 PolarHBondContact O-N 3.27Å; E653-N657 PolarHBondContact O-ND2 2.61Å
654	L	90.1	Very high	89.7	Confident	29 Å²	29	67.2 Å²	67.2	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-39.8	178.7	-71.8	165.5	0	0	0	112.4	R650 Q656 N657 L668 I669 L795	R650-L654 WeakPolarHBondContact O-CG 3.31Å; R650-L654 PolarHBondContact O-N 3.28Å; L654-Q656 VanDerWaalsContact C-N 3.31Å; L654-Q656 PolarHBondContact O-N 3.12Å; L654-N657 PolarHBondContact O-ND2 2.69Å; L654-L668 HydrophobicContact CD1-CB 4.2Å; L654-L668 HydrophobicContact CD2-CB 4.43Å; L654-L668 HydrophobicContact CD2-CD1 4.2Å; L654-I669 HydrophobicContact CB-CD1 4.26Å; L654-I669 HydrophobicContact CB-CG1 4.13Å; L654-I669 HydrophobicContact CD1-CG1 3.92Å; L654-L795 HydrophobicContact CD1-CD2 4.44Å
655	M	90.4	Very high	90.1	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.7	179.9	-66.2	-69.8	-69.2	0	0	114.5	L651 E653 F661 P687 I748 L784 I787	L651-M655 HydrophobicContact CD1-CG 4.23Å; L651-M655 HydrophobicContact CG-CG 4.47Å; L651-M655 VanDerWaalsContact O-CB 3.3Å; L651-M655 WeakPolarHBondContact O-CB 3.47Å; L651-M655 WeakPolarHBondContact O-CG 3.45Å; L651-M655 PolarHBondContact O-N 2.79Å; E653-M655 VanDerWaalsContact C-N 3.32Å; E653-M655 PolarHBondContact O-N 3.36Å; M655-F661 HydrophobicContact SD-CE1 4.08Å; M655-F661 HydrophobicContact SD-CZ 3.8Å; M655-P687 HydrophobicContact CB-CB 4.45Å; M655-P687 HydrophobicContact CE-CB 3.69Å; M655-P687 HydrophobicContact SD-CB 3.96Å; M655-I748 HydrophobicContact CB-CD1 3.93Å; M655-I748 HydrophobicContact CB-CG1 3.84Å; M655-I748 HydrophobicContact CB-CG2 4.21Å; M655-I748 HydrophobicContact CG-CG2 4.42Å; M655-L784 HydrophobicContact CE-CD2 3.88Å; M655-I787 HydrophobicContact SD-CG2 4.32Å
656	Q	89.5	Confident	90.5	Very high	66 Å²	66	64.8 Å²	64.8	31%	0.308	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.4	172.4	-85.4	-176.7	60.3	0	0	113.9	H652 E653 L654 D658	H652-Q656 PolarHBondContact CE1-NE2 2.77Å; H652-Q656 PolarHBondContact ND1-NE2 3.28Å; H652-Q656 PolarHBondContact NE2-NE2 3.03Å; H652-Q656 WeakPolarHBondContact O-CG 3.32Å; H652-Q656 PolarHBondContact O-N 2.96Å; E653-Q656 PolarHBondContact O-N 3.27Å; L654-Q656 VanDerWaalsContact C-N 3.31Å; L654-Q656 PolarHBondContact O-N 3.12Å; Q656-D658 PolarHBondContact O-N 3.18Å
657	N	88.9	Confident	90.8	Very high	62 Å²	62	65.4 Å²	65.4	33%	0.332	31%	0.309	S	S	.	.			trans	-75.1	114.6	-179.2	-67.3	-73.1	0	0	0	111.4	E653 L654 R659 N686 P687	E653-N657 PolarHBondContact O-ND2 2.61Å; L654-N657 PolarHBondContact O-ND2 2.69Å; N657-R659 VanDerWaalsContact C-N 3.32Å; N657-R659 HydrophobicContact CB-CG 4.31Å; N657-R659 PolarHBondContact O-N 2.76Å; N657-N686 PolarHBondContact O-OD1 2.89Å; N657-P687 WeakPolarHBondContact O-CG 3.49Å
658	D	91.1	Very high	91	Very high	111 Å²	111	70.1 Å²	70.1	59%	0.594	33%	0.334	S	S	*	.			trans	-80.6	75.8	176.9	-167.6	11.5	0	0	0	111.4	Q656 N686 V688	Q656-D658 PolarHBondContact O-N 3.18Å; D658-N686 PolarHBondContact OD1-ND2 3.04Å; D658-V688 HydrophobicContact CB-CB 3.96Å; D658-V688 HydrophobicContact CB-CG1 4.11Å; D658-V688 HydrophobicContact CB-CG2 3.92Å
659	R	92.5	Very high	91.1	Very high	104 Å²	104	67.5 Å²	67.5	39%	0.392	32%	0.322	S	S	.	.	S	Bend	trans	-168.7	165.3	175.5	56.4	178.8	-176.1	76	3.7	110.2	N657 D665 N686	N657-R659 VanDerWaalsContact C-N 3.32Å; N657-R659 HydrophobicContact CB-CG 4.31Å; N657-R659 PolarHBondContact O-N 2.76Å; R659-D665 IonicContact CZ-OD1 2.77Å; R659-D665 IonicContact CZ-OD2 2.79Å; R659-D665 IonicContact NH1-OD2 2.69Å; R659-D665 PolarHBondContact NH1-OD2 2.75Å; R659-D665 VanDerWaalsContact NH2-CG 3.25Å; R659-D665 IonicContact NH2-OD1 2.67Å; R659-D665 PolarHBondContact NH2-OD1 2.94Å; R659-D665 IonicContact NH2-OD2 3.18Å; R659-D665 PolarHBondContact NH2-OD2 3.35Å; R659-N686 PolarHBondContact N-OD1 3.02Å; R659-N686 WeakPolarHBondContact O-CA 3.44Å; R659-N686 PolarHBondContact O-OD1 3.23Å
660	E	92.9	Very high	91.3	Very high	129 Å²	129	66.3 Å²	66.3	60%	0.603	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-61.6	142.2	167.9	-66.1	-164.1	139.2	0	0	111.5	S662 K685	E660-S662 PolarHBondContact O-N 2.78Å; E660-K685 CarbonylContact C-O 3.58Å; E660-K685 WeakPolarHBondContact CA-O 3.23Å; E660-K685 HydrophobicContact CG-CB 4.4Å
661	F	93.3	Very high	91.4	Very high	25 Å²	25	63.7 Å²	63.7	11%	0.11	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-60	122.7	175.7	-62.6	-61.7	0	0	0	111.5	M655 D665 R666 I669 L681 V684 K685 P687	M655-F661 HydrophobicContact SD-CE1 4.08Å; M655-F661 HydrophobicContact SD-CZ 3.8Å; F661-D665 HydrophobicContact CB-CB 4.28Å; F661-D665 HydrophobicContact CD1-CB 4.14Å; F661-R666 HydrophobicContact CB-CG 3.83Å; F661-I669 HydrophobicContact CD1-CD1 3.84Å; F661-I669 HydrophobicContact CE1-CD1 3.53Å; F661-I669 HydrophobicContact CZ-CD1 4.28Å; F661-L681 HydrophobicContact CD2-CD2 3.7Å; F661-L681 HydrophobicContact CE1-CD2 4.29Å; F661-L681 HydrophobicContact CE2-CD2 3.44Å; F661-L681 VanDerWaalsContact CE2-CD2 3.44Å; F661-L681 HydrophobicContact CG-CD2 4.26Å; F661-L681 HydrophobicContact CZ-CD2 3.75Å; F661-V684 HydrophobicContact CE2-CB 4.19Å; F661-V684 HydrophobicContact CE2-CG1 3.8Å; F661-V684 HydrophobicContact CZ-CG1 4.15Å; F661-K685 WeakPolarHBondContact CD2-O 3.43Å; F661-K685 WeakPolarHBondContact CG-O 3.42Å; F661-K685 PolarHBondContact N-O 3.48Å; F661-P687 HydrophobicContact CE1-CB 4.25Å; F661-P687 HydrophobicContact CE1-CG 3.79Å; F661-P687 HydrophobicContact CZ-CB 3.9Å; F661-P687 HydrophobicContact CZ-CG 3.9Å
662	S	93.4	Very high	91.1	Very high	35 Å²	35	64.3 Å²	64.3	25%	0.245	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-74.6	173	171	86.4	0	0	0	0	111	E660 E664 D665 R666	E660-S662 PolarHBondContact O-N 2.78Å; S662-E664 WeakPolarHBondContact CB-OE2 3.35Å; S662-E664 PolarHBondContact O-N 3.22Å; S662-E664 PolarHBondContact OG-N 2.96Å; S662-E664 PolarHBondContact OG-OE2 3.38Å; S662-D665 WeakPolarHBondContact CB-OD2 3.22Å; S662-D665 PolarHBondContact N-OD2 3.22Å; S662-D665 PolarHBondContact O-N 2.86Å; S662-D665 PolarHBondContact OG-N 3.08Å; S662-D665 PolarHBondContact OG-OD2 2.87Å; S662-R666 VanDerWaalsContact O-CG 3.29Å; S662-R666 WeakPolarHBondContact O-CG 3.43Å; S662-R666 PolarHBondContact O-N 2.74Å; S662-R666 VanDerWaalsContact O-N 3.11Å
663	K	90.9	Very high	91	Very high	129 Å²	129	67.2 Å²	67.2	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-60.1	-39.8	175.3	-175.7	174.9	175	-70.7	0	111.1	R666 E667	K663-R666 PolarHBondContact O-N 3.06Å; K663-E667 WeakPolarHBondContact CE-OE1 3.48Å; K663-E667 IonicContact NZ-OE1 3.81Å; K663-E667 PolarHBondContact NZ-OE1 2.93Å; K663-E667 IonicContact NZ-OE2 2.74Å; K663-E667 WeakPolarHBondContact O-CG 3.48Å; K663-E667 PolarHBondContact O-N 3.06Å
664	E	92	Very high	91	Very high	111 Å²	111	61.5 Å²	61.5	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-44.9	178.6	-56.4	67.9	-147.5	0	0	111.1	S662 R666 E667 L668	S662-E664 WeakPolarHBondContact CB-OE2 3.35Å; S662-E664 PolarHBondContact O-N 3.22Å; S662-E664 PolarHBondContact OG-N 2.96Å; S662-E664 PolarHBondContact OG-OE2 3.38Å; E664-R666 VanDerWaalsContact C-N 3.28Å; E664-R666 PolarHBondContact O-N 2.97Å; E664-E667 PolarHBondContact O-N 2.85Å; E664-L668 WeakPolarHBondContact O-CB 3.29Å; E664-L668 VanDerWaalsContact O-CG 3.28Å; E664-L668 WeakPolarHBondContact O-CG 3.41Å; E664-L668 PolarHBondContact O-N 2.66Å
665	D	91.4	Very high	91.1	Very high	13 Å²	13	63.5 Å²	63.5	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-39.9	175.3	-55.5	-51	0	0	0	111.2	R659 F661 S662 L668 I669	R659-D665 IonicContact CZ-OD1 2.77Å; R659-D665 IonicContact CZ-OD2 2.79Å; R659-D665 IonicContact NH1-OD2 2.69Å; R659-D665 PolarHBondContact NH1-OD2 2.75Å; R659-D665 VanDerWaalsContact NH2-CG 3.25Å; R659-D665 IonicContact NH2-OD1 2.67Å; R659-D665 PolarHBondContact NH2-OD1 2.94Å; R659-D665 IonicContact NH2-OD2 3.18Å; R659-D665 PolarHBondContact NH2-OD2 3.35Å; F661-D665 HydrophobicContact CB-CB 4.28Å; F661-D665 HydrophobicContact CD1-CB 4.14Å; S662-D665 WeakPolarHBondContact CB-OD2 3.22Å; S662-D665 PolarHBondContact N-OD2 3.22Å; S662-D665 PolarHBondContact O-N 2.86Å; S662-D665 PolarHBondContact OG-N 3.08Å; S662-D665 PolarHBondContact OG-OD2 2.87Å; D665-L668 PolarHBondContact O-N 3.27Å; D665-I669 HydrophobicContact CB-CD1 4.45Å; D665-I669 VanDerWaalsContact O-CB 3.3Å; D665-I669 WeakPolarHBondContact O-CB 3.36Å; D665-I669 WeakPolarHBondContact O-CG1 3.38Å; D665-I669 PolarHBondContact O-N 3.49Å
666	R	92.5	Very high	91.1	Very high	69 Å²	69	63.7 Å²	63.7	26%	0.26	31%	0.311	S	S	.	.	H	α-helix	trans	-69.7	-35.6	-179.9	-66	175.4	68.2	127	-0.6	112.3	F661 S662 K663 E664 N670 L681 D682	F661-R666 HydrophobicContact CB-CG 3.83Å; S662-R666 VanDerWaalsContact O-CG 3.29Å; S662-R666 WeakPolarHBondContact O-CG 3.43Å; S662-R666 PolarHBondContact O-N 2.74Å; S662-R666 VanDerWaalsContact O-N 3.11Å; K663-R666 PolarHBondContact O-N 3.06Å; E664-R666 VanDerWaalsContact C-N 3.28Å; E664-R666 PolarHBondContact O-N 2.97Å; R666-N670 PolarHBondContact O-N 2.98Å; R666-L681 HydrophobicContact CB-CD1 4.49Å; R666-L681 HydrophobicContact CG-CD1 4.35Å; R666-D682 IonicContact CZ-OD1 2.82Å; R666-D682 IonicContact NH1-OD1 2.83Å; R666-D682 PolarHBondContact NH1-OD1 3.06Å; R666-D682 VanDerWaalsContact NH2-CG 3.26Å; R666-D682 IonicContact NH2-OD1 3.82Å; R666-D682 PolarHBondContact NH2-OD1 3.11Å; R666-D682 IonicContact NH2-OD2 2.66Å; R666-D682 PolarHBondContact NH2-OD2 2.94Å
667	E	92	Very high	91.2	Very high	103 Å²	103	60.8 Å²	60.8	48%	0.481	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-36.4	172.7	-75.2	173.3	-170.8	0	0	112.1	K663 E664 P671	K663-E667 WeakPolarHBondContact CE-OE1 3.48Å; K663-E667 IonicContact NZ-OE1 3.81Å; K663-E667 PolarHBondContact NZ-OE1 2.93Å; K663-E667 IonicContact NZ-OE2 2.74Å; K663-E667 WeakPolarHBondContact O-CG 3.48Å; K663-E667 PolarHBondContact O-N 3.06Å; E664-E667 PolarHBondContact O-N 2.85Å; E667-P671 WeakPolarHBondContact O-CA 3.49Å; E667-P671 WeakPolarHBondContact O-CB 3.25Å; E667-P671 WeakPolarHBondContact O-CD 3.41Å
668	L	91.8	Very high	91.5	Very high	100 Å²	100	60.1 Å²	60.1	52%	0.524	30%	0.296	S	S	.	.	H	α-helix	trans	-71.4	-40.8	174.1	-71.1	171.1	0	0	0	112.8	L654 E664 D665 P671	L654-L668 HydrophobicContact CD1-CB 4.2Å; L654-L668 HydrophobicContact CD2-CB 4.43Å; L654-L668 HydrophobicContact CD2-CD1 4.2Å; E664-L668 WeakPolarHBondContact O-CB 3.29Å; E664-L668 VanDerWaalsContact O-CG 3.28Å; E664-L668 WeakPolarHBondContact O-CG 3.41Å; E664-L668 PolarHBondContact O-N 2.66Å; D665-L668 PolarHBondContact O-N 3.27Å; L668-P671 WeakPolarHBondContact O-CD 3.45Å
669	I	91.3	Very high	91.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-77.8	-33.2	-179.8	-64.7	166	0	0	0	111.4	L651 L654 F661 D665 P671 L681 I787 Q791	L651-I669 HydrophobicContact CD1-CG2 4.39Å; L654-I669 HydrophobicContact CB-CD1 4.26Å; L654-I669 HydrophobicContact CB-CG1 4.13Å; L654-I669 HydrophobicContact CD1-CG1 3.92Å; F661-I669 HydrophobicContact CD1-CD1 3.84Å; F661-I669 HydrophobicContact CE1-CD1 3.53Å; F661-I669 HydrophobicContact CZ-CD1 4.28Å; D665-I669 HydrophobicContact CB-CD1 4.45Å; D665-I669 VanDerWaalsContact O-CB 3.3Å; D665-I669 WeakPolarHBondContact O-CB 3.36Å; D665-I669 WeakPolarHBondContact O-CG1 3.38Å; D665-I669 PolarHBondContact O-N 3.49Å; I669-P671 VanDerWaalsContact C-CD 3.47Å; I669-L681 HydrophobicContact CD1-CD2 4.25Å; I669-L681 HydrophobicContact CG2-CD1 4.36Å; I669-L681 HydrophobicContact CG2-CD2 4.12Å; I669-I787 HydrophobicContact CG2-CG2 3.74Å; I669-Q791 PolarHBondContact O-NE2 3.01Å
670	N	92.8	Very high	91.6	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.027	28%	0.276	C	S	.	.			trans	-129.5	55.1	-177.9	-168	17	0	0	0	114	R666 C672 N673 S674 I677 T678 L681	R666-N670 PolarHBondContact O-N 2.98Å; N670-C672 PolarHBondContact O-N 2.95Å; N670-N673 PolarHBondContact O-N 3Å; N670-N673 PolarHBondContact OD1-N 3.2Å; N670-S674 PolarHBondContact ND2-N 3.43Å; N670-S674 PolarHBondContact ND2-O 3.4Å; N670-S674 PolarHBondContact OD1-N 3.4Å; N670-I677 HydrophobicContact CB-CB 4.47Å; N670-I677 HydrophobicContact CB-CG2 3.89Å; N670-T678 PolarHBondContact ND2-N 2.99Å; N670-T678 PolarHBondContact ND2-OG1 3.24Å; N670-L681 HydrophobicContact CB-CD1 4.16Å
671	P	90.4	Very high	91.7	Very high	47 Å²	47	49.7 Å²	49.7	31%	0.305	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.4	-178.9	28.5	-36.5	0	0	0	113	E667 L668 I669 N673 L795 T796	E667-P671 WeakPolarHBondContact O-CA 3.49Å; E667-P671 WeakPolarHBondContact O-CB 3.25Å; E667-P671 WeakPolarHBondContact O-CD 3.41Å; L668-P671 WeakPolarHBondContact O-CD 3.45Å; I669-P671 VanDerWaalsContact C-CD 3.47Å; P671-N673 VanDerWaalsContact C-N 3.3Å; P671-L795 WeakPolarHBondContact CG-O 3.28Å; P671-T796 HydrophobicContact CG-CG2 4.38Å
672	C	86.3	Confident	91.7	Very high	16 Å²	16	52.4 Å²	52.4	11%	0.108	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	1.1	174.4	-63.6	0	0	0	0	113.9	N670 S674 L795 R869 Y870	N670-C672 PolarHBondContact O-N 2.95Å; C672-S674 VanDerWaalsContact C-N 3.26Å; C672-S674 PolarHBondContact O-N 2.68Å; C672-L795 PolarHBondContact SG-O 3.33Å; C672-R869 PolarHBondContact O-NH2 3.13Å; C672-Y870 WeakPolarHBondContact CB-OH 3.4Å
673	N	88.3	Confident	91.8	Very high	124 Å²	124	54.5 Å²	54.5	66%	0.663	27%	0.269	S	S	*	.			trans	47.3	42.1	-179.6	-72.4	-63.8	0	0	0	114	N670 P671 K675	N670-N673 PolarHBondContact O-N 3Å; N670-N673 PolarHBondContact OD1-N 3.2Å; P671-N673 VanDerWaalsContact C-N 3.3Å; N673-K675 PolarHBondContact O-N 2.92Å
674	S	89.7	Confident	92	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	25%	0.245	C	C	.	.			trans	-75.3	122.8	178.4	-148.5	0	0	0	0	110.1	N670 C672 S676 I677 T678 S890	N670-S674 PolarHBondContact ND2-N 3.43Å; N670-S674 PolarHBondContact ND2-O 3.4Å; N670-S674 PolarHBondContact OD1-N 3.4Å; C672-S674 VanDerWaalsContact C-N 3.26Å; C672-S674 PolarHBondContact O-N 2.68Å; S674-S676 VanDerWaalsContact C-N 3.31Å; S674-S676 PolarHBondContact O-N 3.48Å; S674-I677 PolarHBondContact O-N 2.93Å; S674-I677 VanDerWaalsContact O-N 3.11Å; S674-T678 PolarHBondContact O-N 3Å; S674-T678 PolarHBondContact O-OG1 3.45Å; S674-S890 PolarHBondContact OG-O 3.45Å
675	K	90.9	Very high	92.1	Very high	71 Å²	71	49 Å²	49	31%	0.309	24%	0.244	S	C	.	.	H	α-helix	trans	-61.1	-37.1	-172.6	-58.4	177.2	-166.1	177.9	0	112.6	N673 T678 Q679 D887 S890 M891	N673-K675 PolarHBondContact O-N 2.92Å; K675-T678 PolarHBondContact O-N 2.91Å; K675-Q679 WeakPolarHBondContact O-CG 3.31Å; K675-Q679 PolarHBondContact O-N 3.2Å; K675-D887 WeakPolarHBondContact CE-OD1 3.42Å; K675-D887 IonicContact NZ-OD1 2.75Å; K675-D887 PolarHBondContact NZ-OD1 3.11Å; K675-S890 CarbonylContact C-O 3.59Å; K675-S890 WeakPolarHBondContact CA-O 3.48Å; K675-S890 WeakPolarHBondContact CB-O 3.35Å; K675-S890 VanDerWaalsContact CD-OG 3.29Å; K675-S890 WeakPolarHBondContact CD-OG 3.29Å; K675-S890 WeakPolarHBondContact CE-OG 3.29Å; K675-S890 WeakPolarHBondContact CG-OG 3.49Å; K675-S890 PolarHBondContact N-O 3.46Å; K675-M891 HydrophobicContact CB-CG 4.36Å; K675-M891 HydrophobicContact CD-CE 3.99Å; K675-M891 HydrophobicContact CD-CG 4.04Å
676	S	90.8	Very high	92.2	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-45.1	173.7	46.2	0	0	0	0	112.8	S674 Q679 A680 S890 V892	S674-S676 VanDerWaalsContact C-N 3.31Å; S674-S676 PolarHBondContact O-N 3.48Å; S676-Q679 PolarHBondContact O-N 3.18Å; S676-A680 PolarHBondContact O-N 2.83Å; S676-S890 PolarHBondContact N-O 3.02Å; S676-S890 PolarHBondContact OG-O 3.42Å; S676-S890 VanDerWaalsContact OG-O 3.09Å; S676-V892 WeakPolarHBondContact CB-O 3.28Å; S676-V892 PolarHBondContact OG-O 3.42Å
677	I	92.7	Very high	92.3	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-38.1	177.4	-56.2	177	0	0	0	110.4	N670 S674 A680 L681 I787 P790 Q791	N670-I677 HydrophobicContact CB-CB 4.47Å; N670-I677 HydrophobicContact CB-CG2 3.89Å; S674-I677 PolarHBondContact O-N 2.93Å; S674-I677 VanDerWaalsContact O-N 3.11Å; I677-A680 PolarHBondContact O-N 2.6Å; I677-L681 HydrophobicContact CG2-CD1 4.1Å; I677-L681 HydrophobicContact CG2-CG 4.45Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.49Å; I677-L681 PolarHBondContact O-N 2.81Å; I677-I787 HydrophobicContact CG2-CG1 4.47Å; I677-P790 HydrophobicContact CD1-CB 4.09Å; I677-Q791 HydrophobicContact CD1-CG 4.22Å
678	T	93.9	Very high	92.3	Very high	48 Å²	48	42 Å²	42	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-60.1	-47.7	174	-54.8	0	0	0	0	111.6	N670 S674 K675 A680 L681 D682	N670-T678 PolarHBondContact ND2-N 2.99Å; N670-T678 PolarHBondContact ND2-OG1 3.24Å; S674-T678 PolarHBondContact O-N 3Å; S674-T678 PolarHBondContact O-OG1 3.45Å; K675-T678 PolarHBondContact O-N 2.91Å; T678-A680 VanDerWaalsContact C-N 3.32Å; T678-A680 PolarHBondContact O-N 2.99Å; T678-L681 WeakPolarHBondContact O-CB 3.4Å; T678-L681 PolarHBondContact O-N 2.74Å; T678-D682 PolarHBondContact O-N 3.2Å; T678-D682 VanDerWaalsContact O-OD2 3.07Å
679	Q	92.8	Very high	92.4	Very high	121 Å²	121	42 Å²	42	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-60.3	-40.5	176.6	-72.6	169.4	-6.9	0	0	112.4	K675 S676 D682 F683	K675-Q679 WeakPolarHBondContact O-CG 3.31Å; K675-Q679 PolarHBondContact O-N 3.2Å; S676-Q679 PolarHBondContact O-N 3.18Å; Q679-D682 PolarHBondContact O-N 2.79Å; Q679-F683 PolarHBondContact O-N 3.08Å; Q679-F683 VanDerWaalsContact O-N 3.1Å
680	A	93.6	Very high	92.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-39.3	176.1	0	0	0	0	0	112.4	S676 I677 T678 F683 V684 D786 I787	S676-A680 PolarHBondContact O-N 2.83Å; I677-A680 PolarHBondContact O-N 2.6Å; T678-A680 VanDerWaalsContact C-N 3.32Å; T678-A680 PolarHBondContact O-N 2.99Å; A680-F683 PolarHBondContact O-N 3.2Å; A680-V684 WeakPolarHBondContact O-CB 3.11Å; A680-V684 VanDerWaalsContact O-CG2 3.29Å; A680-V684 WeakPolarHBondContact O-CG2 3.39Å; A680-V684 PolarHBondContact O-N 2.99Å; A680-D786 HydrophobicContact CB-CB 3.9Å; A680-I787 HydrophobicContact CB-CD1 4.19Å; A680-I787 HydrophobicContact CB-CG1 3.7Å
681	L	94.4	Very high	92.6	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-38.7	173	-71.7	165.1	0	0	0	112.2	F661 R666 I669 N670 I677 T678 F683 K685 I787	F661-L681 HydrophobicContact CD2-CD2 3.7Å; F661-L681 HydrophobicContact CE1-CD2 4.29Å; F661-L681 HydrophobicContact CE2-CD2 3.44Å; F661-L681 VanDerWaalsContact CE2-CD2 3.44Å; F661-L681 HydrophobicContact CG-CD2 4.26Å; F661-L681 HydrophobicContact CZ-CD2 3.75Å; R666-L681 HydrophobicContact CB-CD1 4.49Å; R666-L681 HydrophobicContact CG-CD1 4.35Å; I669-L681 HydrophobicContact CD1-CD2 4.25Å; I669-L681 HydrophobicContact CG2-CD1 4.36Å; I669-L681 HydrophobicContact CG2-CD2 4.12Å; N670-L681 HydrophobicContact CB-CD1 4.16Å; I677-L681 HydrophobicContact CG2-CD1 4.1Å; I677-L681 HydrophobicContact CG2-CG 4.45Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.49Å; I677-L681 PolarHBondContact O-N 2.81Å; T678-L681 WeakPolarHBondContact O-CB 3.4Å; T678-L681 PolarHBondContact O-N 2.74Å; L681-F683 VanDerWaalsContact C-N 3.31Å; L681-F683 PolarHBondContact O-N 3.39Å; L681-K685 PolarHBondContact O-N 2.99Å; L681-I787 HydrophobicContact CD2-CD1 3.82Å; L681-I787 HydrophobicContact CD2-CG1 4.37Å; L681-I787 HydrophobicContact CG-CD1 4.15Å; L681-I787 HydrophobicContact CG-CG1 4.36Å
682	D	94.7	Very high	92.7	Very high	82 Å²	82	44.1 Å²	44.1	44%	0.439	22%	0.222	S	C	.	.	H	α-helix	trans	-66.4	-29.4	175.4	-70.8	-40.2	0	0	0	113.5	R666 T678 Q679 K685	R666-D682 IonicContact CZ-OD1 2.82Å; R666-D682 IonicContact NH1-OD1 2.83Å; R666-D682 PolarHBondContact NH1-OD1 3.06Å; R666-D682 VanDerWaalsContact NH2-CG 3.26Å; R666-D682 IonicContact NH2-OD1 3.82Å; R666-D682 PolarHBondContact NH2-OD1 3.11Å; R666-D682 IonicContact NH2-OD2 2.66Å; R666-D682 PolarHBondContact NH2-OD2 2.94Å; T678-D682 PolarHBondContact O-N 3.2Å; T678-D682 VanDerWaalsContact O-OD2 3.07Å; Q679-D682 PolarHBondContact O-N 2.79Å; D682-K685 WeakPolarHBondContact O-CE 3.48Å; D682-K685 WeakPolarHBondContact O-CG 3.35Å
683	F	95.3	Very high	93.2	Very high	80 Å²	80	46 Å²	46	35%	0.351	23%	0.229	S	C	.	.	H	α-helix	trans	-78.5	-47.6	172.9	-177.1	-88	0	0	0	112.2	Q679 A680 L681 I779 Y780 N783	Q679-F683 PolarHBondContact O-N 3.08Å; Q679-F683 VanDerWaalsContact O-N 3.1Å; A680-F683 PolarHBondContact O-N 3.2Å; L681-F683 VanDerWaalsContact C-N 3.31Å; L681-F683 PolarHBondContact O-N 3.39Å; F683-I779 HydrophobicContact CE1-CG2 4.39Å; F683-I779 HydrophobicContact CE2-CG2 4.08Å; F683-I779 HydrophobicContact CZ-CG2 3.71Å; F683-Y780 AromaticContact CE1-CD1 3.59Å; F683-Y780 HydrophobicContact CE1-CD1 3.59Å; F683-Y780 AromaticContact CE1-CE1 3.74Å; F683-Y780 HydrophobicContact CE1-CE1 3.74Å; F683-Y780 HydrophobicContact CE1-CG 4.04Å; F683-Y780 HydrophobicContact CZ-CD1 4.05Å; F683-Y780 HydrophobicContact CZ-CD2 4.38Å; F683-Y780 AromaticContact CZ-CE1 3.88Å; F683-Y780 HydrophobicContact CZ-CE1 3.88Å; F683-Y780 HydrophobicContact CZ-CE2 4.24Å; F683-Y780 HydrophobicContact CZ-CG 4.3Å; F683-Y780 AromaticContact CZ-CZ 3.99Å; F683-N783 HydrophobicContact CB-CB 4.37Å; F683-N783 HydrophobicContact CD1-CB 3.51Å; F683-N783 VanDerWaalsContact CD1-CG 3.42Å; F683-N783 HydrophobicContact CE1-CB 4.12Å; F683-N783 HydrophobicContact CG-CB 4.15Å
684	V	95.1	Very high	93.5	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-69.8	-42.7	-173.2	168.7	0	0	0	0	112.5	F661 A680 N686 P687 C690 N783 L784 I787	F661-V684 HydrophobicContact CE2-CB 4.19Å; F661-V684 HydrophobicContact CE2-CG1 3.8Å; F661-V684 HydrophobicContact CZ-CG1 4.15Å; A680-V684 WeakPolarHBondContact O-CB 3.11Å; A680-V684 VanDerWaalsContact O-CG2 3.29Å; A680-V684 WeakPolarHBondContact O-CG2 3.39Å; A680-V684 PolarHBondContact O-N 2.99Å; V684-N686 VanDerWaalsContact C-N 3.32Å; V684-N686 PolarHBondContact O-N 3.47Å; V684-P687 HydrophobicContact CG1-CB 4.39Å; V684-C690 HydrophobicContact CG1-CB 3.88Å; V684-N783 HydrophobicContact CG2-CB 4.03Å; V684-L784 HydrophobicContact CG1-CD2 3.95Å; V684-L784 HydrophobicContact CG2-CD2 3.96Å; V684-L784 HydrophobicContact CG2-CG 4.33Å; V684-I787 HydrophobicContact CB-CD1 4.21Å; V684-I787 HydrophobicContact CG2-CD1 3.9Å
685	K	93.5	Very high	93.8	Very high	114 Å²	114	40.2 Å²	40.2	50%	0.496	20%	0.197	S	C	.	.	S	Bend	trans	56.3	-73.3	-179.9	-58.8	-176.7	176.4	-171.7	0	116.3	E660 F661 L681 D682	E660-K685 CarbonylContact C-O 3.58Å; E660-K685 WeakPolarHBondContact CA-O 3.23Å; E660-K685 HydrophobicContact CG-CB 4.4Å; F661-K685 WeakPolarHBondContact CD2-O 3.43Å; F661-K685 WeakPolarHBondContact CG-O 3.42Å; F661-K685 PolarHBondContact N-O 3.48Å; L681-K685 PolarHBondContact O-N 2.99Å; D682-K685 WeakPolarHBondContact O-CE 3.48Å; D682-K685 WeakPolarHBondContact O-CG 3.35Å
686	N	94.4	Very high	93.9	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.059	20%	0.203	C	C	.	.	S	Bend	trans	-105.1	116.2	169	177.4	-0.7	0	0	0	108.3	N657 D658 R659 V684 V688 D689 C690	N657-N686 PolarHBondContact O-OD1 2.89Å; D658-N686 PolarHBondContact OD1-ND2 3.04Å; R659-N686 PolarHBondContact N-OD1 3.02Å; R659-N686 WeakPolarHBondContact O-CA 3.44Å; R659-N686 PolarHBondContact O-OD1 3.23Å; V684-N686 VanDerWaalsContact C-N 3.32Å; V684-N686 PolarHBondContact O-N 3.47Å; N686-V688 VanDerWaalsContact C-N 3.26Å; N686-V688 PolarHBondContact O-N 2.85Å; N686-V688 PolarHBondContact OD1-N 2.88Å; N686-D689 HydrophobicContact CB-CB 4.08Å; N686-D689 PolarHBondContact ND2-OD2 2.93Å; N686-C690 VanDerWaalsContact O-CB 3.3Å; N686-C690 WeakPolarHBondContact O-CB 3.33Å; N686-C690 PolarHBondContact O-N 3.22Å; N686-C690 VanDerWaalsContact O-N 3.14Å
687	P	93	Very high	94.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-29.3	-178.4	27.7	-34.6	0	0	0	112.9	M655 N657 F661 V684 C691	M655-P687 HydrophobicContact CB-CB 4.45Å; M655-P687 HydrophobicContact CE-CB 3.69Å; M655-P687 HydrophobicContact SD-CB 3.96Å; N657-P687 WeakPolarHBondContact O-CG 3.49Å; F661-P687 HydrophobicContact CE1-CB 4.25Å; F661-P687 HydrophobicContact CE1-CG 3.79Å; F661-P687 HydrophobicContact CZ-CB 3.9Å; F661-P687 HydrophobicContact CZ-CG 3.9Å; V684-P687 HydrophobicContact CG1-CB 4.39Å; P687-C691 WeakPolarHBondContact O-CB 3.44Å; P687-C691 PolarHBondContact O-N 2.78Å; P687-C691 PolarHBondContact O-SG 2.87Å
688	V	92.4	Very high	94.3	Very high	26 Å²	26	40.2 Å²	40.2	16%	0.158	20%	0.2	C	C	.	.	H	α-helix	trans	-77.8	-46.3	-176.7	179.6	0	0	0	0	111.4	D658 N686 C690 C691 H692 F746	D658-V688 HydrophobicContact CB-CB 3.96Å; D658-V688 HydrophobicContact CB-CG1 4.11Å; D658-V688 HydrophobicContact CB-CG2 3.92Å; N686-V688 VanDerWaalsContact C-N 3.26Å; N686-V688 PolarHBondContact O-N 2.85Å; N686-V688 PolarHBondContact OD1-N 2.88Å; V688-C690 VanDerWaalsContact C-N 3.29Å; V688-C690 PolarHBondContact O-N 2.84Å; V688-C691 PolarHBondContact O-N 2.93Å; V688-H692 WeakPolarHBondContact O-CB 3.29Å; V688-H692 PolarHBondContact O-N 3.35Å; V688-F746 HydrophobicContact CG1-CD2 4.32Å; V688-F746 HydrophobicContact CG1-CE2 4.14Å
689	D	93.3	Very high	94.3	Very high	102 Å²	102	44.6 Å²	44.6	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-56.4	-44.7	170.7	-78	-39.2	0	0	0	111.4	N686 C691 H692 H693	N686-D689 HydrophobicContact CB-CB 4.08Å; N686-D689 PolarHBondContact ND2-OD2 2.93Å; D689-C691 PolarHBondContact O-N 3.16Å; D689-H692 WeakPolarHBondContact O-CB 3.42Å; D689-H692 PolarHBondContact O-N 2.8Å; D689-H692 VanDerWaalsContact O-N 3.11Å; D689-H693 PolarHBondContact O-N 3.36Å
690	C	94.3	Very high	94.4	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-43.4	178.8	-168.8	0	0	0	0	111.9	V684 N686 V688 H692 H693 V694 L784	V684-C690 HydrophobicContact CG1-CB 3.88Å; N686-C690 VanDerWaalsContact O-CB 3.3Å; N686-C690 WeakPolarHBondContact O-CB 3.33Å; N686-C690 PolarHBondContact O-N 3.22Å; N686-C690 VanDerWaalsContact O-N 3.14Å; V688-C690 VanDerWaalsContact C-N 3.29Å; V688-C690 PolarHBondContact O-N 2.84Å; C690-H692 VanDerWaalsContact C-N 3.33Å; C690-H693 PolarHBondContact O-N 3.24Å; C690-V694 WeakPolarHBondContact O-CG2 3.32Å; C690-V694 PolarHBondContact O-N 3.4Å; C690-V694 VanDerWaalsContact O-N 3.12Å; C690-L784 HydrophobicContact CB-CD2 4.31Å
691	C	94.4	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-34.8	173.1	-70.5	0	0	0	0	112.5	P687 V688 D689 V694 H695 F739 F746	P687-C691 WeakPolarHBondContact O-CB 3.44Å; P687-C691 PolarHBondContact O-N 2.78Å; P687-C691 PolarHBondContact O-SG 2.87Å; V688-C691 PolarHBondContact O-N 2.93Å; D689-C691 PolarHBondContact O-N 3.16Å; C691-V694 PolarHBondContact O-N 3.02Å; C691-H695 WeakPolarHBondContact O-CB 3.29Å; C691-H695 PolarHBondContact O-N 3.34Å; C691-F739 HydrophobicContact CB-CE1 4.43Å; C691-F739 HydrophobicContact CB-CE2 4.44Å; C691-F739 HydrophobicContact CB-CZ 3.69Å; C691-F739 WeakPolarHBondContact O-CE1 3.3Å; C691-F746 HydrophobicContact CB-CB 4.01Å; C691-F746 HydrophobicContact CB-CD1 3.97Å; C691-F746 HydrophobicContact CB-CD2 3.42Å; C691-F746 VanDerWaalsContact CB-CD2 3.42Å; C691-F746 HydrophobicContact CB-CE1 4.3Å; C691-F746 HydrophobicContact CB-CE2 3.78Å; C691-F746 HydrophobicContact CB-CG 3.52Å; C691-F746 HydrophobicContact CB-CZ 4.22Å
692	H	93.8	Very high	94.4	Very high	90 Å²	90	43.7 Å²	43.7	42%	0.417	21%	0.207	S	C	.	.	H	α-helix	trans	-64.3	-44.8	175.5	-160.9	96.6	0	0	0	111.6	V688 D689 C690 H695 L696 F746	V688-H692 WeakPolarHBondContact O-CB 3.29Å; V688-H692 PolarHBondContact O-N 3.35Å; D689-H692 WeakPolarHBondContact O-CB 3.42Å; D689-H692 PolarHBondContact O-N 2.8Å; D689-H692 VanDerWaalsContact O-N 3.11Å; C690-H692 VanDerWaalsContact C-N 3.33Å; H692-H695 PolarHBondContact O-N 2.83Å; H692-L696 WeakPolarHBondContact O-CG 3.31Å; H692-L696 PolarHBondContact O-N 3.47Å; H692-F746 HydrophobicContact CB-CE2 4.3Å; H692-F746 HydrophobicContact CB-CZ 4.08Å
693	H	95.1	Very high	94.3	Very high	56 Å²	56	45.5 Å²	45.5	26%	0.259	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-45	176.3	-165.7	57.9	0	0	0	112.1	D689 C690 H695 L696 L697 E776 Y780	D689-H693 PolarHBondContact O-N 3.36Å; C690-H693 PolarHBondContact O-N 3.24Å; H693-H695 VanDerWaalsContact C-N 3.31Å; H693-H695 PolarHBondContact O-N 3.23Å; H693-L696 PolarHBondContact O-N 3.2Å; H693-L697 WeakPolarHBondContact O-CG 3.1Å; H693-L697 PolarHBondContact O-N 2.85Å; H693-E776 IonicContact CD2-OE1 2.65Å; H693-E776 IonicContact CE1-OE1 2.64Å; H693-E776 IonicContact NE2-OE1 2.68Å; H693-E776 PolarHBondContact NE2-OE1 2.85Å; H693-Y780 AromaticContact CD2-CD1 3.96Å; H693-Y780 AromaticContact CD2-CD2 3.65Å; H693-Y780 AromaticContact CD2-CE1 3.74Å; H693-Y780 AromaticContact CD2-CE2 3.4Å; H693-Y780 WeakPolarHBondContact CD2-CE2 3.32Å; H693-Y780 AromaticContact CD2-CG 3.93Å; H693-Y780 AromaticContact CD2-CZ 3.44Å; H693-Y780 VanDerWaalsContact CD2-CZ 3.44Å; H693-Y780 AromaticContact NE2-CE2 3.57Å; H693-Y780 AromaticContact NE2-CZ 3.82Å
694	V	95.8	Very high	94.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-41.4	173	169.2	0	0	0	0	111.8	C690 C691 L697 I698 F739 I754 L777 L784	C690-V694 WeakPolarHBondContact O-CG2 3.32Å; C690-V694 PolarHBondContact O-N 3.4Å; C690-V694 VanDerWaalsContact O-N 3.12Å; C691-V694 PolarHBondContact O-N 3.02Å; V694-L697 PolarHBondContact O-N 2.87Å; V694-I698 HydrophobicContact CG1-CD1 3.79Å; V694-I698 VanDerWaalsContact O-CG1 3.23Å; V694-I698 WeakPolarHBondContact O-CG1 3.45Å; V694-I698 PolarHBondContact O-N 2.78Å; V694-F739 HydrophobicContact CB-CE1 4.37Å; V694-F739 HydrophobicContact CG1-CE1 3.97Å; V694-F739 HydrophobicContact CG1-CZ 4.39Å; V694-I754 HydrophobicContact CG1-CD1 4.36Å; V694-I754 HydrophobicContact CG1-CG2 4.21Å; V694-L777 HydrophobicContact CG1-CD1 3.98Å; V694-L784 HydrophobicContact CG2-CD1 4.02Å
695	H	94.7	Very high	93.9	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.06	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-37.2	177.2	175	71.1	0	0	0	112.9	C691 H692 H693 I698 R699 E736 F739 S740 F746	C691-H695 WeakPolarHBondContact O-CB 3.29Å; C691-H695 PolarHBondContact O-N 3.34Å; H692-H695 PolarHBondContact O-N 2.83Å; H693-H695 VanDerWaalsContact C-N 3.31Å; H693-H695 PolarHBondContact O-N 3.23Å; H695-I698 PolarHBondContact O-N 3.12Å; H695-R699 WeakPolarHBondContact NE2-CD 3.34Å; H695-R699 WeakPolarHBondContact O-CG 3.42Å; H695-R699 PolarHBondContact O-N 2.87Å; H695-R699 VanDerWaalsContact O-N 3.12Å; H695-E736 IonicContact CE1-OE1 3.15Å; H695-E736 PolarHBondContact CE1-OE1 2.95Å; H695-E736 VanDerWaalsContact CE1-OE1 3.28Å; H695-F739 HydrophobicContact CB-CD1 4.29Å; H695-F739 HydrophobicContact CB-CE1 4.11Å; H695-S740 VanDerWaalsContact CE1-CB 3.49Å; H695-S740 WeakPolarHBondContact CE1-CB 3.21Å; H695-F746 HydrophobicContact CB-CE1 3.9Å; H695-F746 HydrophobicContact CB-CZ 4.48Å
696	L	94.7	Very high	93.7	Very high	80 Å²	80	39.1 Å²	39.1	42%	0.419	19%	0.188	S	C	.	.	H	α-helix	trans	-62.6	-50.7	173.3	-69.6	175.3	0	0	0	111.3	H692 H693 I698 R699 E700	H692-L696 WeakPolarHBondContact O-CG 3.31Å; H692-L696 PolarHBondContact O-N 3.47Å; H693-L696 PolarHBondContact O-N 3.2Å; L696-I698 VanDerWaalsContact C-N 3.3Å; L696-I698 PolarHBondContact O-N 3.25Å; L696-R699 WeakPolarHBondContact O-CB 3.21Å; L696-R699 PolarHBondContact O-N 3.36Å; L696-E700 PolarHBondContact O-N 2.92Å
697	L	96.2	Very high	93.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-37.3	177.9	-67.8	171.1	0	0	0	112.4	H693 V694 E700 L701 Y771 Q773 E776 L777	H693-L697 WeakPolarHBondContact O-CG 3.1Å; H693-L697 PolarHBondContact O-N 2.85Å; V694-L697 PolarHBondContact O-N 2.87Å; L697-E700 PolarHBondContact O-N 2.8Å; L697-L701 WeakPolarHBondContact O-CB 3.39Å; L697-L701 PolarHBondContact O-N 2.71Å; L697-Y771 WeakPolarHBondContact CD2-OH 3.43Å; L697-Y771 PolarHBondContact O-OH 3.35Å; L697-Q773 HydrophobicContact CD2-CB 3.95Å; L697-Q773 HydrophobicContact CD2-CG 4.43Å; L697-E776 HydrophobicContact CD1-CG 4.09Å; L697-L777 HydrophobicContact CB-CB 4.18Å; L697-L777 HydrophobicContact CB-CD1 3.97Å; L697-L777 HydrophobicContact CB-CD2 4.45Å; L697-L777 HydrophobicContact CB-CG 4.41Å; L697-L777 HydrophobicContact CD1-CB 4.1Å; L697-L777 HydrophobicContact CD1-CD1 4.45Å
698	I	95.4	Very high	93.2	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-39	173.8	-71.5	167.4	0	0	0	111.8	V694 H695 L696 L702 W732 I735 E736 I754 L777	V694-I698 HydrophobicContact CG1-CD1 3.79Å; V694-I698 VanDerWaalsContact O-CG1 3.23Å; V694-I698 WeakPolarHBondContact O-CG1 3.45Å; V694-I698 PolarHBondContact O-N 2.78Å; H695-I698 PolarHBondContact O-N 3.12Å; L696-I698 VanDerWaalsContact C-N 3.3Å; L696-I698 PolarHBondContact O-N 3.25Å; I698-L702 HydrophobicContact CG2-CD1 4.39Å; I698-L702 WeakPolarHBondContact O-CG 3.05Å; I698-L702 PolarHBondContact O-N 3.34Å; I698-W732 HydrophobicContact CD1-CZ3 4.12Å; I698-W732 HydrophobicContact CG1-CE3 4.19Å; I698-W732 HydrophobicContact CG1-CZ3 3.85Å; I698-W732 HydrophobicContact CG2-CE3 4.02Å; I698-I735 HydrophobicContact CD1-CG2 4.29Å; I698-E736 HydrophobicContact CG2-CB 3.87Å; I698-E736 HydrophobicContact CG2-CG 4.19Å; I698-I754 HydrophobicContact CD1-CD1 4.18Å; I698-I754 HydrophobicContact CD1-CG1 4.18Å; I698-I754 HydrophobicContact CD1-CG2 4.09Å; I698-L777 HydrophobicContact CG1-CD1 3.99Å; I698-L777 HydrophobicContact CG1-CD2 4.2Å
699	R	94	Very high	92.9	Very high	139 Å²	139	45.9 Å²	45.9	53%	0.525	22%	0.218	S	C	.	.	H	α-helix	trans	-71	-33.6	177.1	-74.4	179	57.4	-170.9	-4.8	112.6	H695 L696 L702 H703 E736	H695-R699 WeakPolarHBondContact NE2-CD 3.34Å; H695-R699 WeakPolarHBondContact O-CG 3.42Å; H695-R699 PolarHBondContact O-N 2.87Å; H695-R699 VanDerWaalsContact O-N 3.12Å; L696-R699 WeakPolarHBondContact O-CB 3.21Å; L696-R699 PolarHBondContact O-N 3.36Å; R699-L702 PolarHBondContact O-N 2.83Å; R699-H703 PolarHBondContact O-N 2.9Å; R699-H703 VanDerWaalsContact O-N 3.13Å; R699-E736 HydrophobicContact CG-CG 3.87Å
700	E	93.9	Very high	92.5	Very high	86 Å²	86	46.5 Å²	46.5	40%	0.402	22%	0.222	S	C	.	.	H	α-helix	trans	-69.2	-44.5	174.3	-164.7	161.9	-131.3	0	0	111.3	L696 L697 L702 H703 I704 Y771 Q773	L696-E700 PolarHBondContact O-N 2.92Å; L697-E700 PolarHBondContact O-N 2.8Å; E700-L702 VanDerWaalsContact C-N 3.3Å; E700-L702 PolarHBondContact O-N 3.15Å; E700-H703 WeakPolarHBondContact O-CA 3.38Å; E700-H703 WeakPolarHBondContact O-CB 3.38Å; E700-H703 PolarHBondContact O-N 2.95Å; E700-I704 PolarHBondContact O-N 3.46Å; E700-Y771 HydrophobicContact CG-CE2 4.2Å; E700-Y771 PolarHBondContact OE2-OH 3.12Å; E700-Q773 PolarHBondContact OE2-NE2 2.85Å; E700-Q773 PolarHBondContact OE2-OE1 2.82Å
701	L	94.4	Very high	92	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55.4	-41.8	169.1	173.5	56.8	0	0	0	112.4	L697 H703 I704 I705 W732 L769 Y771 L777	L697-L701 WeakPolarHBondContact O-CB 3.39Å; L697-L701 PolarHBondContact O-N 2.71Å; L701-H703 VanDerWaalsContact C-N 3.3Å; L701-H703 PolarHBondContact O-N 3.07Å; L701-I704 PolarHBondContact O-N 2.82Å; L701-I705 HydrophobicContact CD1-CD1 3.87Å; L701-I705 HydrophobicContact CD1-CG1 4.09Å; L701-I705 HydrophobicContact CG-CD1 3.89Å; L701-I705 WeakPolarHBondContact O-CB 3.36Å; L701-I705 VanDerWaalsContact O-CG1 3.3Å; L701-I705 WeakPolarHBondContact O-CG1 3.32Å; L701-I705 PolarHBondContact O-N 2.97Å; L701-W732 HydrophobicContact CD2-CD2 3.8Å; L701-W732 HydrophobicContact CD2-CE3 4.28Å; L701-W732 HydrophobicContact CD2-CG 4.24Å; L701-W732 HydrophobicContact CD2-CH2 4.29Å; L701-W732 HydrophobicContact CD2-CZ2 3.8Å; L701-L769 HydrophobicContact CD1-CD1 3.86Å; L701-L769 HydrophobicContact CD1-CD2 3.84Å; L701-L769 HydrophobicContact CD1-CG 4.28Å; L701-Y771 HydrophobicContact CB-CD1 4.14Å; L701-Y771 HydrophobicContact CB-CE1 3.87Å; L701-Y771 HydrophobicContact CD1-CD1 3.86Å; L701-Y771 HydrophobicContact CD1-CE1 4.46Å; L701-Y771 HydrophobicContact CD1-CG 4.2Å; L701-Y771 HydrophobicContact CG-CD1 4.42Å; L701-L777 HydrophobicContact CD2-CD2 3.96Å
702	L	94	Very high	91.2	Very high	20 Å²	20	53.3 Å²	53.3	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-31.4	175	-80.5	169.3	0	0	0	113.6	I698 R699 E700 S706 R729 W732 E733 E736	I698-L702 HydrophobicContact CG2-CD1 4.39Å; I698-L702 WeakPolarHBondContact O-CG 3.05Å; I698-L702 PolarHBondContact O-N 3.34Å; R699-L702 PolarHBondContact O-N 2.83Å; E700-L702 VanDerWaalsContact C-N 3.3Å; E700-L702 PolarHBondContact O-N 3.15Å; L702-S706 PolarHBondContact O-N 3.49Å; L702-S706 VanDerWaalsContact O-N 3.12Å; L702-S706 PolarHBondContact O-OG 2.85Å; L702-R729 HydrophobicContact CD2-CG 4.27Å; L702-W732 HydrophobicContact CD2-CB 3.62Å; L702-W732 HydrophobicContact CG-CB 4.04Å; L702-E733 HydrophobicContact CD1-CG 4.12Å; L702-E733 HydrophobicContact CD2-CB 4.42Å; L702-E733 HydrophobicContact CD2-CG 3.66Å; L702-E736 HydrophobicContact CD1-CB 4.02Å; L702-E736 HydrophobicContact CD1-CG 4.22Å
703	H	92.3	Very high	90.4	Very high	119 Å²	119	58 Å²	58	55%	0.551	28%	0.282	S	S	*	.	H	α-helix	trans	-68.7	-45.8	171.8	-174.3	52.2	0	0	0	111.2	R699 E700 L701 I705 S706 I707	R699-H703 PolarHBondContact O-N 2.9Å; R699-H703 VanDerWaalsContact O-N 3.13Å; E700-H703 WeakPolarHBondContact O-CA 3.38Å; E700-H703 WeakPolarHBondContact O-CB 3.38Å; E700-H703 PolarHBondContact O-N 2.95Å; L701-H703 VanDerWaalsContact C-N 3.3Å; L701-H703 PolarHBondContact O-N 3.07Å; H703-I705 PolarHBondContact O-N 3.35Å; H703-S706 WeakPolarHBondContact O-CB 3.39Å; H703-S706 PolarHBondContact O-N 2.99Å; H703-S706 VanDerWaalsContact O-N 3.13Å; H703-I707 WeakPolarHBondContact O-CG1 3.45Å; H703-I707 PolarHBondContact O-N 2.93Å
704	I	91.2	Very high	89.7	Confident	47 Å²	47	56.5 Å²	56.5	24%	0.241	28%	0.277	C	S	.	.	H	α-helix	trans	-60	-45.4	175	-61.7	-58.7	0	0	0	111.7	E700 L701 S706 I707 K708 Y771	E700-I704 PolarHBondContact O-N 3.46Å; L701-I704 PolarHBondContact O-N 2.82Å; I704-S706 PolarHBondContact O-N 3.43Å; I704-I707 PolarHBondContact O-N 2.71Å; I704-K708 HydrophobicContact CG2-CG 4.22Å; I704-K708 WeakPolarHBondContact O-CB 3.34Å; I704-K708 VanDerWaalsContact O-CG 3.29Å; I704-K708 WeakPolarHBondContact O-CG 3.44Å; I704-K708 PolarHBondContact O-N 3.01Å; I704-Y771 HydrophobicContact CG1-CD2 4Å; I704-Y771 HydrophobicContact CG1-CE2 4.46Å
705	I	91.1	Very high	88.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-37.3	175.6	-71.6	165.9	0	0	0	111.3	L701 H703 K709 W725 M728 R729 W732 L769	L701-I705 HydrophobicContact CD1-CD1 3.87Å; L701-I705 HydrophobicContact CD1-CG1 4.09Å; L701-I705 HydrophobicContact CG-CD1 3.89Å; L701-I705 WeakPolarHBondContact O-CB 3.36Å; L701-I705 VanDerWaalsContact O-CG1 3.3Å; L701-I705 WeakPolarHBondContact O-CG1 3.32Å; L701-I705 PolarHBondContact O-N 2.97Å; H703-I705 PolarHBondContact O-N 3.35Å; I705-K709 WeakPolarHBondContact O-CB 3.19Å; I705-K709 PolarHBondContact O-N 3.25Å; I705-W725 HydrophobicContact CG2-CE3 4.3Å; I705-M728 HydrophobicContact CD1-CG 4.05Å; I705-M728 HydrophobicContact CD1-SD 3.95Å; I705-M728 HydrophobicContact CG1-SD 3.98Å; I705-R729 HydrophobicContact CG2-CB 3.76Å; I705-R729 HydrophobicContact CG2-CG 4.29Å; I705-W732 HydrophobicContact CD1-CB 4.42Å; I705-W732 HydrophobicContact CD1-CG 4.24Å; I705-L769 HydrophobicContact CG1-CD1 3.94Å
706	S	90.1	Very high	87.9	Confident	22 Å²	22	66.2 Å²	66.2	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-46.2	176	-56.5	0	0	0	0	111.6	L702 H703 I704 K708 K709 D710 R729	L702-S706 PolarHBondContact O-N 3.49Å; L702-S706 VanDerWaalsContact O-N 3.12Å; L702-S706 PolarHBondContact O-OG 2.85Å; H703-S706 WeakPolarHBondContact O-CB 3.39Å; H703-S706 PolarHBondContact O-N 2.99Å; H703-S706 VanDerWaalsContact O-N 3.13Å; I704-S706 PolarHBondContact O-N 3.43Å; S706-K708 PolarHBondContact O-N 2.92Å; S706-K709 PolarHBondContact O-N 2.71Å; S706-D710 PolarHBondContact O-N 3.04Å; S706-R729 PolarHBondContact OG-NH1 2.85Å
707	I	88.9	Confident	87	Confident	87 Å²	87	64 Å²	64	45%	0.446	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-43.7	176.8	-66.1	163.8	0	0	0	111.2	H703 I704 D710 D711	H703-I707 WeakPolarHBondContact O-CG1 3.45Å; H703-I707 PolarHBondContact O-N 2.93Å; I704-I707 PolarHBondContact O-N 2.71Å; I707-D710 PolarHBondContact O-N 3.43Å; I707-D711 WeakPolarHBondContact O-CB 3.44Å; I707-D711 PolarHBondContact O-N 2.96Å
708	K	86.9	Confident	85.9	Confident	27 Å²	27	70.1 Å²	70.1	12%	0.117	35%	0.35	C	S	.	.	H	α-helix	trans	-67.9	-31.6	178.8	-68.3	-78.5	-176.1	156.4	0	113.1	I704 S706 D710 T714 K715 W725 T768 L769	I704-K708 HydrophobicContact CG2-CG 4.22Å; I704-K708 WeakPolarHBondContact O-CB 3.34Å; I704-K708 VanDerWaalsContact O-CG 3.29Å; I704-K708 WeakPolarHBondContact O-CG 3.44Å; I704-K708 PolarHBondContact O-N 3.01Å; S706-K708 PolarHBondContact O-N 2.92Å; K708-D710 VanDerWaalsContact C-N 3.35Å; K708-T714 CarbonylContact O-C 3.54Å; K708-T714 PolarHBondContact O-OG1 3.08Å; K708-T714 VanDerWaalsContact O-OG1 3.07Å; K708-K715 PolarHBondContact O-N 2.8Å; K708-W725 HydrophobicContact CB-CD2 4.3Å; K708-W725 HydrophobicContact CB-CE3 4.13Å; K708-W725 HydrophobicContact CB-CH2 3.55Å; K708-W725 HydrophobicContact CB-CZ2 3.72Å; K708-W725 HydrophobicContact CB-CZ3 3.77Å; K708-W725 HydrophobicContact CD-CH2 4.29Å; K708-W725 HydrophobicContact CG-CH2 3.95Å; K708-W725 HydrophobicContact CG-CZ2 4.43Å; K708-W725 HydrophobicContact CG-CZ3 4.33Å; K708-T768 PolarHBondContact NZ-O 2.99Å; K708-L769 VanDerWaalsContact CE-O 3.27Å; K708-L769 WeakPolarHBondContact CE-O 3.42Å
709	K	85.5	Confident	85.4	Confident	66 Å²	66	70.5 Å²	70.5	29%	0.287	35%	0.351	S	S	.	.	H	α-helix	trans	-64.7	-39.9	172.4	-177	-175.4	169.5	178.7	0	111.7	I705 S706 K715 W725 D726	I705-K709 WeakPolarHBondContact O-CB 3.19Å; I705-K709 PolarHBondContact O-N 3.25Å; S706-K709 PolarHBondContact O-N 2.71Å; K709-K715 WeakPolarHBondContact O-CA 3.23Å; K709-K715 WeakPolarHBondContact O-CB 3.47Å; K709-W725 HydrophobicContact CB-CB 3.97Å; K709-W725 HydrophobicContact CB-CG 4.36Å; K709-W725 HydrophobicContact CG-CB 4.07Å; K709-D726 WeakPolarHBondContact CE-OD1 3.13Å; K709-D726 WeakPolarHBondContact CE-OD2 3.31Å; K709-D726 IonicContact NZ-OD1 3.34Å; K709-D726 PolarHBondContact NZ-OD1 2.91Å; K709-D726 IonicContact NZ-OD2 2.69Å; K709-D726 PolarHBondContact NZ-OD2 3Å
710	D	85	Confident	84.8	Confident	116 Å²	116	66.8 Å²	66.8	62%	0.62	34%	0.338	S	S	*	.	H	α-helix	trans	-92.7	-16.3	-171.8	-60.7	-22.6	0	0	0	113.1	S706 I707 K708 P712	S706-D710 PolarHBondContact O-N 3.04Å; I707-D710 PolarHBondContact O-N 3.43Å; K708-D710 VanDerWaalsContact C-N 3.35Å; D710-P712 WeakPolarHBondContact O-CD 3.38Å
711	D	84.1	Confident	83.7	Confident	47 Å²	47	66 Å²	66	25%	0.251	33%	0.334	S	S	.	.			trans	-63.9	120.1	174.4	162.8	33.4	0	0	0	112.3	I707 K713 T714 K715	I707-D711 WeakPolarHBondContact O-CB 3.44Å; I707-D711 PolarHBondContact O-N 2.96Å; D711-K713 PolarHBondContact O-N 3.42Å; D711-K713 PolarHBondContact OD1-N 3.03Å; D711-T714 PolarHBondContact O-N 3.36Å; D711-T714 WeakPolarHBondContact OD2-CB 3.01Å; D711-T714 PolarHBondContact OD2-N 3.49Å; D711-T714 PolarHBondContact OD2-OG1 3.27Å; D711-K715 WeakPolarHBondContact O-CB 3.29Å; D711-K715 WeakPolarHBondContact O-CG 3.45Å; D711-K715 PolarHBondContact O-N 2.81Å
712	P	77.6	Confident	82.6	Confident	101 Å²	101	67.3 Å²	67.3	66%	0.656	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19.7	177.9	-27.9	36.4	0	0	0	116.3	D710	D710-P712 WeakPolarHBondContact O-CD 3.38Å
713	K	78.4	Confident	81.8	Confident	189 Å²	189	67.1 Å²	67.1	82%	0.822	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-23.8	177	-61.7	175	-178.7	172.5	0	114	D711	D711-K713 PolarHBondContact O-N 3.42Å; D711-K713 PolarHBondContact OD1-N 3.03Å
714	T	79.6	Confident	81.4	Confident	24 Å²	24	64.6 Å²	64.6	15%	0.147	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-14	-175.6	52.6	0	0	0	0	114.6	K708 D711 D716 A717 W725	K708-T714 CarbonylContact O-C 3.54Å; K708-T714 PolarHBondContact O-OG1 3.08Å; K708-T714 VanDerWaalsContact O-OG1 3.07Å; D711-T714 PolarHBondContact O-N 3.36Å; D711-T714 WeakPolarHBondContact OD2-CB 3.01Å; D711-T714 PolarHBondContact OD2-N 3.49Å; D711-T714 PolarHBondContact OD2-OG1 3.27Å; T714-D716 VanDerWaalsContact C-N 3.27Å; T714-D716 PolarHBondContact O-N 3.13Å; T714-D716 VanDerWaalsContact O-N 3.17Å; T714-A717 WeakPolarHBondContact O-CB 3.28Å; T714-A717 PolarHBondContact O-N 3.35Å; T714-W725 PolarHBondContact O-NE1 2.99Å
715	K	76.3	Confident	81.2	Confident	98 Å²	98	62.7 Å²	62.7	43%	0.426	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-40.3	174.8	63.9	173.2	-172.4	85.8	0	115.1	K708 K709 D711 A717	K708-K715 PolarHBondContact O-N 2.8Å; K709-K715 WeakPolarHBondContact O-CA 3.23Å; K709-K715 WeakPolarHBondContact O-CB 3.47Å; D711-K715 WeakPolarHBondContact O-CB 3.29Å; D711-K715 WeakPolarHBondContact O-CG 3.45Å; D711-K715 PolarHBondContact O-N 2.81Å; K715-A717 VanDerWaalsContact C-N 3.34Å
716	D	76.2	Confident	80.8	Confident	121 Å²	121	66.1 Å²	66.1	65%	0.647	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	3.1	-176.8	-56	-35.6	0	0	0	112	T714 I718	T714-D716 VanDerWaalsContact C-N 3.27Å; T714-D716 PolarHBondContact O-N 3.13Å; T714-D716 VanDerWaalsContact O-N 3.17Å; D716-I718 PolarHBondContact O-N 3.36Å
717	A	76.9	Confident	80.3	Confident	34 Å²	34	66.2 Å²	66.2	28%	0.281	35%	0.346	S	S	.	.			trans	-74.8	126.2	179.2	0	0	0	0	0	110.7	T714 K715 T768	T714-A717 WeakPolarHBondContact O-CB 3.28Å; T714-A717 PolarHBondContact O-N 3.35Å; K715-A717 VanDerWaalsContact C-N 3.34Å; A717-T768 HydrophobicContact CB-CG2 4.41Å
718	I	72.9	Confident	80.3	Confident	130 Å²	130	62.1 Å²	62.1	67%	0.667	33%	0.325	S	S	*	.			trans	-87.1	122.6	174.8	-62.2	171.9	0	0	0	107.9	D716	D716-I718 PolarHBondContact O-N 3.36Å
719	L	83.3	Confident	80.4	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.037	33%	0.332	C	S	.	.			trans	-77.2	174.9	177.9	-58.4	171.7	0	0	0	110.9	H721 G722 E723 W725 M728 T768	L719-H721 PolarHBondContact O-N 3.28Å; L719-G722 PolarHBondContact O-N 3.37Å; L719-E723 WeakPolarHBondContact CA-O 3.24Å; L719-E723 HydrophobicContact CB-CB 4.19Å; L719-E723 VanDerWaalsContact CB-O 3.26Å; L719-E723 WeakPolarHBondContact CB-O 3.32Å; L719-E723 PolarHBondContact N-O 2.69Å; L719-W725 HydrophobicContact CD1-CD2 4.24Å; L719-W725 HydrophobicContact CD1-CE3 3.97Å; L719-W725 HydrophobicContact CD1-CZ3 4.24Å; L719-W725 HydrophobicContact CD2-CH2 3.92Å; L719-W725 HydrophobicContact CD2-CZ2 3.98Å; L719-W725 HydrophobicContact CD2-CZ3 4.2Å; L719-M728 HydrophobicContact CD1-CB 3.84Å; L719-M728 HydrophobicContact CD1-CE 4.47Å; L719-M728 HydrophobicContact CD1-CG 4.17Å; L719-M728 HydrophobicContact CD1-SD 3.52Å; L719-M728 VanDerWaalsContact CD1-SD 3.52Å; L719-T768 HydrophobicContact CD2-CG2 3.87Å
720	Y	81.7	Confident	80.3	Confident	61 Å²	61	63.7 Å²	63.7	24%	0.239	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-55	135.1	-172.2	-170.7	-94.9	0	0	0	112.6	T543 P544 G722 E723 Y760 H764 N765	T543-Y720 HydrophobicContact CG2-CE1 4.01Å; P544-Y720 WeakPolarHBondContact CD-OH 3.48Å; Y720-G722 PolarHBondContact O-N 3.48Å; Y720-E723 PolarHBondContact O-N 3.37Å; Y720-Y760 HydrophobicContact CD1-CE2 4.27Å; Y720-Y760 PolarHBondContact O-OH 2.87Å; Y720-H764 HydrophobicContact CD1-CB 3.95Å; Y720-H764 AromaticContact CD1-CG 3.85Å; Y720-H764 AromaticContact CD1-ND1 3.78Å; Y720-H764 HydrophobicContact CD2-CB 3.99Å; Y720-H764 AromaticContact CD2-ND1 3.81Å; Y720-H764 AromaticContact CE1-CE1 3.7Å; Y720-H764 AromaticContact CE1-ND1 3.5Å; Y720-H764 AromaticContact CE2-ND1 3.52Å; Y720-H764 HydrophobicContact CG-CB 3.62Å; Y720-H764 AromaticContact CG-CG 3.95Å; Y720-H764 AromaticContact CG-ND1 3.92Å; Y720-H764 AromaticContact CZ-CE1 3.66Å; Y720-H764 AromaticContact CZ-ND1 3.35Å; Y720-H764 VanDerWaalsContact CZ-ND1 3.35Å; Y720-N765 VanDerWaalsContact CB-OD1 3.29Å; Y720-N765 WeakPolarHBondContact CB-OD1 3.14Å; Y720-N765 PolarHBondContact N-OD1 2.9Å
721	H	72	Confident	80.5	Confident	71 Å²	71	58.4 Å²	58.4	33%	0.329	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	56.7	29.9	-177.9	-150.6	-72.7	0	0	0	114.2	Y492 L719	Y492-H721 WeakPolarHBondContact CE1-O 3.39Å; Y492-H721 AromaticContact CZ-ND1 3.74Å; Y492-H721 VanDerWaalsContact CZ-O 3.3Å; Y492-H721 PolarHBondContact OH-ND1 2.98Å; Y492-H721 VanDerWaalsContact OH-ND1 3.16Å; Y492-H721 PolarHBondContact OH-O 2.92Å; L719-H721 PolarHBondContact O-N 3.28Å
722	G	69.7	Low	80.9	Confident	27 Å²	27	56.1 Å²	56.1	28%	0.278	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	80.7	16.6	172.8	0	0	0	0	0	115.3	L719 Y720	L719-G722 PolarHBondContact O-N 3.37Å; Y720-G722 PolarHBondContact O-N 3.48Å
723	E	78.8	Confident	81.5	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.075	28%	0.275	C	S	.	.			trans	-68	139.9	168.5	-168.2	171.1	-142.7	0	0	109.4	L719 Y720 L727 M728 R731	L719-E723 WeakPolarHBondContact CA-O 3.24Å; L719-E723 HydrophobicContact CB-CB 4.19Å; L719-E723 VanDerWaalsContact CB-O 3.26Å; L719-E723 WeakPolarHBondContact CB-O 3.32Å; L719-E723 PolarHBondContact N-O 2.69Å; Y720-E723 PolarHBondContact O-N 3.37Å; E723-L727 HydrophobicContact CG-CB 3.8Å; E723-M728 HydrophobicContact CG-CB 4.38Å; E723-R731 IonicContact OE1-CZ 3.28Å; E723-R731 IonicContact OE1-NE 2.79Å; E723-R731 PolarHBondContact OE1-NE 3.06Å; E723-R731 IonicContact OE1-NH2 2.77Å; E723-R731 PolarHBondContact OE1-NH2 3.49Å; E723-R731 IonicContact OE2-CZ 2.65Å; E723-R731 IonicContact OE2-NE 2.72Å; E723-R731 IonicContact OE2-NH2 3.01Å; E723-R731 PolarHBondContact OE2-NH2 3.31Å
724	T	83.2	Confident	81.8	Confident	65 Å²	65	47.3 Å²	47.3	40%	0.399	25%	0.247	S	C	.	.			trans	-100	162.4	174.2	62.8	0	0	0	0	110.3	D726 L727 M728	T724-D726 PolarHBondContact O-N 3.2Å; T724-L727 PolarHBondContact O-N 3.12Å; T724-L727 WeakPolarHBondContact OG1-CG 3.12Å; T724-L727 PolarHBondContact OG1-N 2.83Å; T724-M728 PolarHBondContact O-N 3.07Å
725	W	86.1	Confident	82.4	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-53.6	-37	172.7	-67.9	114.5	0	0	0	112.9	I705 K708 K709 T714 L719 M728 R729 T768 L769	I705-W725 HydrophobicContact CG2-CE3 4.3Å; K708-W725 HydrophobicContact CB-CD2 4.3Å; K708-W725 HydrophobicContact CB-CE3 4.13Å; K708-W725 HydrophobicContact CB-CH2 3.55Å; K708-W725 HydrophobicContact CB-CZ2 3.72Å; K708-W725 HydrophobicContact CB-CZ3 3.77Å; K708-W725 HydrophobicContact CD-CH2 4.29Å; K708-W725 HydrophobicContact CG-CH2 3.95Å; K708-W725 HydrophobicContact CG-CZ2 4.43Å; K708-W725 HydrophobicContact CG-CZ3 4.33Å; K709-W725 HydrophobicContact CB-CB 3.97Å; K709-W725 HydrophobicContact CB-CG 4.36Å; K709-W725 HydrophobicContact CG-CB 4.07Å; T714-W725 PolarHBondContact O-NE1 2.99Å; L719-W725 HydrophobicContact CD1-CD2 4.24Å; L719-W725 HydrophobicContact CD1-CE3 3.97Å; L719-W725 HydrophobicContact CD1-CZ3 4.24Å; L719-W725 HydrophobicContact CD2-CH2 3.92Å; L719-W725 HydrophobicContact CD2-CZ2 3.98Å; L719-W725 HydrophobicContact CD2-CZ3 4.2Å; W725-M728 HydrophobicContact CE3-SD 4.01Å; W725-M728 HydrophobicContact CZ3-SD 3.9Å; W725-R729 WeakPolarHBondContact O-CB 3.36Å; W725-R729 PolarHBondContact O-N 2.8Å; W725-T768 HydrophobicContact CH2-CG2 4.01Å; W725-T768 HydrophobicContact CZ2-CG2 3.75Å; W725-L769 HydrophobicContact CZ3-CD1 4.12Å
726	D	82.9	Confident	83.1	Confident	72 Å²	72	44 Å²	44	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-67.5	-38.5	175.1	-80	-63.9	0	0	0	113.5	K709 T724 C730	K709-D726 WeakPolarHBondContact CE-OD1 3.13Å; K709-D726 WeakPolarHBondContact CE-OD2 3.31Å; K709-D726 IonicContact NZ-OD1 3.34Å; K709-D726 PolarHBondContact NZ-OD1 2.91Å; K709-D726 IonicContact NZ-OD2 2.69Å; K709-D726 PolarHBondContact NZ-OD2 3Å; T724-D726 PolarHBondContact O-N 3.2Å; D726-C730 VanDerWaalsContact O-CB 3.29Å; D726-C730 WeakPolarHBondContact O-CB 3.31Å; D726-C730 PolarHBondContact O-N 2.71Å; D726-C730 PolarHBondContact O-SG 3.33Å
727	L	81	Confident	83.7	Confident	25 Å²	25	43.5 Å²	43.5	13%	0.131	22%	0.224	C	C	.	.	H	α-helix	trans	-68.9	-42.3	175.1	-71.4	170.7	0	0	0	111.3	V488 M491 E723 T724 C730 R731	V488-L727 HydrophobicContact CG2-CD2 4.44Å; M491-L727 HydrophobicContact CG-CD1 4.48Å; M491-L727 HydrophobicContact SD-CD1 3.75Å; E723-L727 HydrophobicContact CG-CB 3.8Å; T724-L727 PolarHBondContact O-N 3.12Å; T724-L727 WeakPolarHBondContact OG1-CG 3.12Å; T724-L727 PolarHBondContact OG1-N 2.83Å; L727-C730 PolarHBondContact O-N 2.94Å; L727-R731 WeakPolarHBondContact O-CB 3.47Å; L727-R731 PolarHBondContact O-N 2.94Å
728	M	88.3	Confident	84.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-43.8	174.1	-170.9	-170.7	-148.1	0	0	111.5	I705 L719 E723 T724 W725 R731 W732 D761 N765 L769	I705-M728 HydrophobicContact CD1-CG 4.05Å; I705-M728 HydrophobicContact CD1-SD 3.95Å; I705-M728 HydrophobicContact CG1-SD 3.98Å; L719-M728 HydrophobicContact CD1-CB 3.84Å; L719-M728 HydrophobicContact CD1-CE 4.47Å; L719-M728 HydrophobicContact CD1-CG 4.17Å; L719-M728 HydrophobicContact CD1-SD 3.52Å; L719-M728 VanDerWaalsContact CD1-SD 3.52Å; E723-M728 HydrophobicContact CG-CB 4.38Å; T724-M728 PolarHBondContact O-N 3.07Å; W725-M728 HydrophobicContact CE3-SD 4.01Å; W725-M728 HydrophobicContact CZ3-SD 3.9Å; M728-R731 WeakPolarHBondContact O-CB 3.49Å; M728-R731 PolarHBondContact O-N 3.14Å; M728-W732 PolarHBondContact O-N 2.85Å; M728-D761 HydrophobicContact CE-CB 4.27Å; M728-D761 VanDerWaalsContact CE-CG 3.45Å; M728-D761 VanDerWaalsContact CE-OD1 3.31Å; M728-D761 WeakPolarHBondContact CE-OD1 3.07Å; M728-N765 HydrophobicContact CE-CB 4.25Å; M728-L769 HydrophobicContact CE-CD1 4.03Å; M728-L769 HydrophobicContact CE-CD2 4.04Å; M728-L769 HydrophobicContact CE-CG 4.49Å; M728-L769 HydrophobicContact SD-CD1 4.28Å
729	R	88.2	Confident	85	Confident	74 Å²	74	37.3 Å²	37.3	28%	0.279	19%	0.188	S	C	.	.	H	α-helix	trans	-63.4	-47	175.3	-175.2	174.3	170.7	151.8	4.3	111.5	L702 I705 S706 W725 R731 W732 E733	L702-R729 HydrophobicContact CD2-CG 4.27Å; I705-R729 HydrophobicContact CG2-CB 3.76Å; I705-R729 HydrophobicContact CG2-CG 4.29Å; S706-R729 PolarHBondContact OG-NH1 2.85Å; W725-R729 WeakPolarHBondContact O-CB 3.36Å; W725-R729 PolarHBondContact O-N 2.8Å; R729-R731 VanDerWaalsContact C-N 3.26Å; R729-R731 PolarHBondContact O-N 3.24Å; R729-W732 PolarHBondContact O-N 2.84Å; R729-E733 HydrophobicContact CG-CG 4.13Å; R729-E733 IonicContact CZ-OE1 2.76Å; R729-E733 IonicContact NE-OE1 2.75Å; R729-E733 PolarHBondContact NE-OE1 3.21Å; R729-E733 IonicContact NH2-OE1 2.94Å; R729-E733 PolarHBondContact NH2-OE1 3.36Å; R729-E733 WeakPolarHBondContact O-CB 3.39Å; R729-E733 WeakPolarHBondContact O-CG 3.42Å; R729-E733 PolarHBondContact O-N 3.21Å
730	C	84.9	Confident	85.1	Confident	53 Å²	53	38.4 Å²	38.4	36%	0.358	20%	0.196	S	C	.	.	H	α-helix	trans	-60.4	-35.4	175.8	-74.9	0	0	0	0	112.6	D726 L727 K734	D726-C730 VanDerWaalsContact O-CB 3.29Å; D726-C730 WeakPolarHBondContact O-CB 3.31Å; D726-C730 PolarHBondContact O-N 2.71Å; D726-C730 PolarHBondContact O-SG 3.33Å; L727-C730 PolarHBondContact O-N 2.94Å; C730-K734 WeakPolarHBondContact O-CB 3.32Å; C730-K734 PolarHBondContact O-N 2.57Å; C730-K734 VanDerWaalsContact O-N 3.13Å
731	R	88.8	Confident	84.9	Confident	4 Å²	4	38 Å²	38	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-53.8	174	169.8	164.4	59.9	89.5	-15.3	111.1	E723 L727 M728 R729 K734 I735 D761	E723-R731 IonicContact OE1-CZ 3.28Å; E723-R731 IonicContact OE1-NE 2.79Å; E723-R731 PolarHBondContact OE1-NE 3.06Å; E723-R731 IonicContact OE1-NH2 2.77Å; E723-R731 PolarHBondContact OE1-NH2 3.49Å; E723-R731 IonicContact OE2-CZ 2.65Å; E723-R731 IonicContact OE2-NE 2.72Å; E723-R731 IonicContact OE2-NH2 3.01Å; E723-R731 PolarHBondContact OE2-NH2 3.31Å; L727-R731 WeakPolarHBondContact O-CB 3.47Å; L727-R731 PolarHBondContact O-N 2.94Å; M728-R731 WeakPolarHBondContact O-CB 3.49Å; M728-R731 PolarHBondContact O-N 3.14Å; R729-R731 VanDerWaalsContact C-N 3.26Å; R729-R731 PolarHBondContact O-N 3.24Å; R731-K734 PolarHBondContact O-N 3.13Å; R731-I735 HydrophobicContact CG-CD1 4.23Å; R731-I735 WeakPolarHBondContact O-CG1 3.48Å; R731-I735 PolarHBondContact O-N 3.1Å; R731-I735 VanDerWaalsContact O-N 3.08Å; R731-D761 IonicContact CZ-OD1 3.18Å; R731-D761 IonicContact CZ-OD2 2.7Å; R731-D761 IonicContact NH1-OD1 3.18Å; R731-D761 IonicContact NH1-OD2 3.23Å; R731-D761 PolarHBondContact NH1-OD2 2.77Å; R731-D761 IonicContact NH2-OD1 3.35Å; R731-D761 PolarHBondContact NH2-OD1 3.37Å; R731-D761 IonicContact NH2-OD2 2.67Å; R731-D761 PolarHBondContact NH2-OD2 2.81Å
732	W	92.6	Very high	84.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.4	-40.1	-178.5	-79	112.1	0	0	0	114	I698 L701 L702 I705 M728 R729 K734 I735 E736 C757 I758 D761 L777	I698-W732 HydrophobicContact CD1-CZ3 4.12Å; I698-W732 HydrophobicContact CG1-CE3 4.19Å; I698-W732 HydrophobicContact CG1-CZ3 3.85Å; I698-W732 HydrophobicContact CG2-CE3 4.02Å; L701-W732 HydrophobicContact CD2-CD2 3.8Å; L701-W732 HydrophobicContact CD2-CE3 4.28Å; L701-W732 HydrophobicContact CD2-CG 4.24Å; L701-W732 HydrophobicContact CD2-CH2 4.29Å; L701-W732 HydrophobicContact CD2-CZ2 3.8Å; L702-W732 HydrophobicContact CD2-CB 3.62Å; L702-W732 HydrophobicContact CG-CB 4.04Å; I705-W732 HydrophobicContact CD1-CB 4.42Å; I705-W732 HydrophobicContact CD1-CG 4.24Å; M728-W732 PolarHBondContact O-N 2.85Å; R729-W732 PolarHBondContact O-N 2.84Å; W732-K734 VanDerWaalsContact C-N 3.27Å; W732-K734 PolarHBondContact O-N 3.18Å; W732-I735 HydrophobicContact CE3-CB 4.32Å; W732-I735 HydrophobicContact CE3-CD1 4.16Å; W732-I735 HydrophobicContact CE3-CG2 4.18Å; W732-I735 HydrophobicContact CZ3-CD1 4.3Å; W732-I735 HydrophobicContact CZ3-CG2 4.17Å; W732-I735 PolarHBondContact O-N 2.67Å; W732-I735 VanDerWaalsContact O-N 3.13Å; W732-E736 WeakPolarHBondContact O-CB 3.37Å; W732-E736 PolarHBondContact O-N 2.59Å; W732-C757 HydrophobicContact CH2-CB 3.75Å; W732-C757 HydrophobicContact CZ2-CB 3.65Å; W732-C757 HydrophobicContact CZ3-CB 4.44Å; W732-I758 HydrophobicContact CH2-CB 4.01Å; W732-I758 HydrophobicContact CZ2-CB 4.26Å; W732-D761 PolarHBondContact NE1-OD2 3.35Å; W732-L777 HydrophobicContact CH2-CD2 4.46Å
733	E	89.9	Confident	84.3	Confident	52 Å²	52	44.4 Å²	44.4	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-36.9	174.4	-78.9	-162.4	-159.5	0	0	111.4	L702 R729 K737	L702-E733 HydrophobicContact CD1-CG 4.12Å; L702-E733 HydrophobicContact CD2-CB 4.42Å; L702-E733 HydrophobicContact CD2-CG 3.66Å; R729-E733 HydrophobicContact CG-CG 4.13Å; R729-E733 IonicContact CZ-OE1 2.76Å; R729-E733 IonicContact NE-OE1 2.75Å; R729-E733 PolarHBondContact NE-OE1 3.21Å; R729-E733 IonicContact NH2-OE1 2.94Å; R729-E733 PolarHBondContact NH2-OE1 3.36Å; R729-E733 WeakPolarHBondContact O-CB 3.39Å; R729-E733 WeakPolarHBondContact O-CG 3.42Å; R729-E733 PolarHBondContact O-N 3.21Å; E733-K737 WeakPolarHBondContact O-CB 3.33Å; E733-K737 WeakPolarHBondContact O-CD 3.47Å; E733-K737 VanDerWaalsContact O-CG 3.24Å; E733-K737 WeakPolarHBondContact O-CG 3.4Å; E733-K737 PolarHBondContact O-N 3.33Å; E733-K737 VanDerWaalsContact O-N 3.14Å; E733-K737 IonicContact OE2-NZ 3.86Å; E733-K737 PolarHBondContact OE2-NZ 2.78Å
734	K	85.8	Confident	83.6	Confident	52 Å²	52	52.1 Å²	52.1	23%	0.226	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-41.1	175.1	-174	-172.4	170.1	-59.4	0	110.7	K420 C730 R731 W732 K737 D738	K420-K734 VanDerWaalsContact O-CE 3.24Å; K420-K734 WeakPolarHBondContact O-CE 3.48Å; C730-K734 WeakPolarHBondContact O-CB 3.32Å; C730-K734 PolarHBondContact O-N 2.57Å; C730-K734 VanDerWaalsContact O-N 3.13Å; R731-K734 PolarHBondContact O-N 3.13Å; W732-K734 VanDerWaalsContact C-N 3.27Å; W732-K734 PolarHBondContact O-N 3.18Å; K734-K737 PolarHBondContact O-N 2.81Å; K734-D738 IonicContact NZ-OD1 2.76Å; K734-D738 PolarHBondContact NZ-OD1 2.94Å; K734-D738 IonicContact NZ-OD2 3.38Å; K734-D738 PolarHBondContact NZ-OD2 2.76Å; K734-D738 WeakPolarHBondContact O-CB 3.46Å; K734-D738 PolarHBondContact O-N 3.15Å
735	I	90.3	Very high	83.5	Confident	15 Å²	15	53 Å²	53	8%	0.077	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-44.8	177.6	-73.8	167.6	0	0	0	110.7	I698 R731 W732 K737 D738 F739 I754 C757	I698-I735 HydrophobicContact CD1-CG2 4.29Å; R731-I735 HydrophobicContact CG-CD1 4.23Å; R731-I735 WeakPolarHBondContact O-CG1 3.48Å; R731-I735 PolarHBondContact O-N 3.1Å; R731-I735 VanDerWaalsContact O-N 3.08Å; W732-I735 HydrophobicContact CE3-CB 4.32Å; W732-I735 HydrophobicContact CE3-CD1 4.16Å; W732-I735 HydrophobicContact CE3-CG2 4.18Å; W732-I735 HydrophobicContact CZ3-CD1 4.3Å; W732-I735 HydrophobicContact CZ3-CG2 4.17Å; W732-I735 PolarHBondContact O-N 2.67Å; W732-I735 VanDerWaalsContact O-N 3.13Å; I735-K737 PolarHBondContact O-N 3.44Å; I735-D738 PolarHBondContact O-N 3.1Å; I735-F739 WeakPolarHBondContact O-CB 3.43Å; I735-F739 PolarHBondContact O-N 2.93Å; I735-I754 HydrophobicContact CG2-CD1 4.33Å; I735-I754 HydrophobicContact CG2-CG1 3.44Å; I735-I754 VanDerWaalsContact CG2-CG1 3.44Å; I735-C757 HydrophobicContact CD1-CB 3.9Å; I735-C757 VanDerWaalsContact CD1-SG 3.53Å
736	E	91.9	Very high	83.6	Confident	38 Å²	38	53.4 Å²	53.4	18%	0.178	27%	0.267	C	S	.	.	H	α-helix	trans	-56.5	-48.8	176.9	-170.1	-95.4	173.2	0	0	112.2	H695 I698 R699 L702 W732 F739 S740	H695-E736 IonicContact CE1-OE1 3.15Å; H695-E736 PolarHBondContact CE1-OE1 2.95Å; H695-E736 VanDerWaalsContact CE1-OE1 3.28Å; I698-E736 HydrophobicContact CG2-CB 3.87Å; I698-E736 HydrophobicContact CG2-CG 4.19Å; R699-E736 HydrophobicContact CG-CG 3.87Å; L702-E736 HydrophobicContact CD1-CB 4.02Å; L702-E736 HydrophobicContact CD1-CG 4.22Å; W732-E736 WeakPolarHBondContact O-CB 3.37Å; W732-E736 PolarHBondContact O-N 2.59Å; E736-F739 PolarHBondContact O-N 3Å; E736-S740 PolarHBondContact O-N 2.94Å; E736-S740 VanDerWaalsContact O-N 3.08Å
737	K	87.8	Confident	83.9	Confident	110 Å²	110	51.9 Å²	51.9	48%	0.478	26%	0.258	S	S	.	.	H	α-helix	trans	-74.4	-23.6	178.8	-64.9	164.1	-170.8	166.5	0	114.7	E733 K734 I735	E733-K737 WeakPolarHBondContact O-CB 3.33Å; E733-K737 WeakPolarHBondContact O-CD 3.47Å; E733-K737 VanDerWaalsContact O-CG 3.24Å; E733-K737 WeakPolarHBondContact O-CG 3.4Å; E733-K737 PolarHBondContact O-N 3.33Å; E733-K737 VanDerWaalsContact O-N 3.14Å; E733-K737 IonicContact OE2-NZ 3.86Å; E733-K737 PolarHBondContact OE2-NZ 2.78Å; K734-K737 PolarHBondContact O-N 2.81Å; I735-K737 PolarHBondContact O-N 3.44Å
738	D	86.6	Confident	84.4	Confident	35 Å²	35	51 Å²	51	19%	0.187	25%	0.254	C	S	.	.	H	α-helix	trans	-82.8	-28.8	173.2	-96.4	55	0	0	0	111.5	K734 I735 D747 K750	K734-D738 IonicContact NZ-OD1 2.76Å; K734-D738 PolarHBondContact NZ-OD1 2.94Å; K734-D738 IonicContact NZ-OD2 3.38Å; K734-D738 PolarHBondContact NZ-OD2 2.76Å; K734-D738 WeakPolarHBondContact O-CB 3.46Å; K734-D738 PolarHBondContact O-N 3.15Å; I735-D738 PolarHBondContact O-N 3.1Å; D738-D747 WeakPolarHBondContact O-CB 3.24Å; D738-K750 HydrophobicContact CB-CD 3.85Å; D738-K750 HydrophobicContact CB-CG 4.19Å; D738-K750 VanDerWaalsContact O-CE 3.29Å; D738-K750 WeakPolarHBondContact O-CE 3.49Å; D738-K750 IonicContact OD2-NZ 2.73Å; D738-K750 PolarHBondContact OD2-NZ 3.29Å
739	F	90.7	Very high	84.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-88.8	-42.6	-174.1	178.7	-131.3	0	0	0	113.1	C691 V694 H695 I735 E736 F746 D747 K750 I751 I754	C691-F739 HydrophobicContact CB-CE1 4.43Å; C691-F739 HydrophobicContact CB-CE2 4.44Å; C691-F739 HydrophobicContact CB-CZ 3.69Å; C691-F739 WeakPolarHBondContact O-CE1 3.3Å; V694-F739 HydrophobicContact CB-CE1 4.37Å; V694-F739 HydrophobicContact CG1-CE1 3.97Å; V694-F739 HydrophobicContact CG1-CZ 4.39Å; H695-F739 HydrophobicContact CB-CD1 4.29Å; H695-F739 HydrophobicContact CB-CE1 4.11Å; I735-F739 WeakPolarHBondContact O-CB 3.43Å; I735-F739 PolarHBondContact O-N 2.93Å; E736-F739 PolarHBondContact O-N 3Å; F739-F746 HydrophobicContact CD1-CD1 4.15Å; F739-F746 HydrophobicContact CD2-CD1 4.42Å; F739-F746 AromaticContact CE1-CD1 3.88Å; F739-F746 HydrophobicContact CE1-CD1 3.88Å; F739-F746 HydrophobicContact CE1-CE1 4.21Å; F739-F746 HydrophobicContact CE2-CB 4.07Å; F739-F746 HydrophobicContact CE2-CD1 4.18Å; F739-F746 HydrophobicContact CE2-CG 4.47Å; F739-F746 HydrophobicContact CG-CD1 4.42Å; F739-F746 HydrophobicContact CZ-CB 4.42Å; F739-F746 AromaticContact CZ-CD1 3.9Å; F739-F746 HydrophobicContact CZ-CD1 3.9Å; F739-F746 HydrophobicContact CZ-CG 4.36Å; F739-F746 CarbonylContact O-C 3.6Å; F739-F746 VanDerWaalsContact O-CA 3.32Å; F739-F746 WeakPolarHBondContact O-CA 3.41Å; F739-D747 PolarHBondContact O-N 3.36Å; F739-K750 HydrophobicContact CB-CB 4.2Å; F739-K750 HydrophobicContact CB-CG 4.24Å; F739-K750 HydrophobicContact CD2-CB 4.08Å; F739-I751 HydrophobicContact CE2-CG1 4.17Å; F739-I754 HydrophobicContact CB-CD1 4.25Å; F739-I754 HydrophobicContact CD1-CD1 3.82Å; F739-I754 HydrophobicContact CD2-CD1 3.77Å; F739-I754 HydrophobicContact CE1-CD1 4.02Å; F739-I754 HydrophobicContact CE2-CD1 3.96Å; F739-I754 HydrophobicContact CG-CD1 3.69Å; F739-I754 HydrophobicContact CZ-CD1 4.08Å
740	S	86.7	Confident	84.6	Confident	29 Å²	29	51.8 Å²	51.8	20%	0.203	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-101.6	113.5	179.2	-170.2	0	0	0	0	110.4	H695 E736	H695-S740 VanDerWaalsContact CE1-CB 3.49Å; H695-S740 WeakPolarHBondContact CE1-CB 3.21Å; E736-S740 PolarHBondContact O-N 2.94Å; E736-S740 VanDerWaalsContact O-N 3.08Å
741	T	76	Confident	85	Confident	53 Å²	53	49.4 Å²	49.4	33%	0.325	25%	0.251	S	S	.	.			trans	-79.1	158.6	178.1	65.2	0	0	0	0	111.8	S743 K744 L745	T741-S743 PolarHBondContact O-N 3.42Å; T741-S743 PolarHBondContact OG1-OG 2.99Å; T741-K744 WeakPolarHBondContact O-CA 3.36Å; T741-K744 PolarHBondContact O-N 2.87Å; T741-L745 WeakPolarHBondContact CB-O 3.37Å; T741-L745 WeakPolarHBondContact CG2-O 3.47Å; T741-L745 PolarHBondContact N-O 3.42Å; T741-L745 PolarHBondContact OG1-N 2.9Å; T741-L745 VanDerWaalsContact OG1-N 3.14Å; T741-L745 PolarHBondContact OG1-O 3.47Å
742	K	67.1	Low	85.1	Confident	149 Å²	149	50.5 Å²	50.5	65%	0.648	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.6	178.9	-68.7	170.8	177.8	160.7	0	113.7	S517	S517-K742 WeakPolarHBondContact O-CE 3.36Å; S517-K742 PolarHBondContact O-NZ 2.92Å
743	S	62.2	Low	85	Confident	84 Å²	84	52.6 Å²	52.6	59%	0.587	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	11.1	173.6	47.3	0	0	0	0	114.1	T741 L745	T741-S743 PolarHBondContact O-N 3.42Å; T741-S743 PolarHBondContact OG1-OG 2.99Å; S743-L745 PolarHBondContact O-N 2.91Å
744	K	64.9	Low	85.2	Confident	177 Å²	177	50.2 Å²	50.2	77%	0.77	26%	0.259	S	S	*	.	S	Bend	trans	63.2	11.8	-175.3	-57.9	-175.9	176.6	-177.5	0	116.1	T741	T741-K744 WeakPolarHBondContact O-CA 3.36Å; T741-K744 PolarHBondContact O-N 2.87Å
745	L	81.1	Confident	85.5	Confident	85 Å²	85	48 Å²	48	45%	0.445	25%	0.249	S	C	.	.			trans	-82.3	143.7	170	-60.6	173.9	0	0	0	110.1	T741 S743	T741-L745 WeakPolarHBondContact CB-O 3.37Å; T741-L745 WeakPolarHBondContact CG2-O 3.47Å; T741-L745 PolarHBondContact N-O 3.42Å; T741-L745 PolarHBondContact OG1-N 2.9Å; T741-L745 VanDerWaalsContact OG1-N 3.14Å; T741-L745 PolarHBondContact OG1-O 3.47Å; S743-L745 PolarHBondContact O-N 2.91Å
746	F	89	Confident	85.5	Confident	15 Å²	15	49 Å²	49	7%	0.066	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-97	130.5	-178	-66.1	-72.9	0	0	0	112.6	H652 V688 C691 H692 H695 F739 I748	H652-F746 PolarHBondContact CE1-O 2.9Å; V688-F746 HydrophobicContact CG1-CD2 4.32Å; V688-F746 HydrophobicContact CG1-CE2 4.14Å; C691-F746 HydrophobicContact CB-CB 4.01Å; C691-F746 HydrophobicContact CB-CD1 3.97Å; C691-F746 HydrophobicContact CB-CD2 3.42Å; C691-F746 VanDerWaalsContact CB-CD2 3.42Å; C691-F746 HydrophobicContact CB-CE1 4.3Å; C691-F746 HydrophobicContact CB-CE2 3.78Å; C691-F746 HydrophobicContact CB-CG 3.52Å; C691-F746 HydrophobicContact CB-CZ 4.22Å; H692-F746 HydrophobicContact CB-CE2 4.3Å; H692-F746 HydrophobicContact CB-CZ 4.08Å; H695-F746 HydrophobicContact CB-CE1 3.9Å; H695-F746 HydrophobicContact CB-CZ 4.48Å; F739-F746 HydrophobicContact CD1-CD1 4.15Å; F739-F746 HydrophobicContact CD2-CD1 4.42Å; F739-F746 AromaticContact CE1-CD1 3.88Å; F739-F746 HydrophobicContact CE1-CD1 3.88Å; F739-F746 HydrophobicContact CE1-CE1 4.21Å; F739-F746 HydrophobicContact CE2-CB 4.07Å; F739-F746 HydrophobicContact CE2-CD1 4.18Å; F739-F746 HydrophobicContact CE2-CG 4.47Å; F739-F746 HydrophobicContact CG-CD1 4.42Å; F739-F746 HydrophobicContact CZ-CB 4.42Å; F739-F746 AromaticContact CZ-CD1 3.9Å; F739-F746 HydrophobicContact CZ-CD1 3.9Å; F739-F746 HydrophobicContact CZ-CG 4.36Å; F739-F746 CarbonylContact O-C 3.6Å; F739-F746 VanDerWaalsContact O-CA 3.32Å; F739-F746 WeakPolarHBondContact O-CA 3.41Å; F746-I748 HydrophobicContact CB-CD1 4.49Å; F746-I748 PolarHBondContact O-N 3.49Å; F746-I748 VanDerWaalsContact O-N 3.11Å
747	D	89.1	Confident	85.5	Confident	39 Å²	39	47.6 Å²	47.6	21%	0.209	25%	0.248	C	C	.	.			trans	-80.1	91.7	173.2	-173	-15.5	0	0	0	110.1	D738 F739 S749 K750	D738-D747 WeakPolarHBondContact O-CB 3.24Å; F739-D747 PolarHBondContact O-N 3.36Å; D747-S749 PolarHBondContact O-N 3.11Å; D747-S749 WeakPolarHBondContact OD1-CA 3.29Å; D747-S749 WeakPolarHBondContact OD1-CB 3.46Å; D747-S749 PolarHBondContact OD1-N 2.8Å; D747-S749 PolarHBondContact OD1-OG 3.41Å; D747-S749 PolarHBondContact OD2-OG 2.92Å; D747-K750 HydrophobicContact CB-CG 4.02Å; D747-K750 WeakPolarHBondContact O-CB 3.42Å; D747-K750 WeakPolarHBondContact O-CG 3.37Å; D747-K750 PolarHBondContact O-N 2.85Å; D747-K750 WeakPolarHBondContact OD2-CE 3.49Å; D747-K750 IonicContact OD2-NZ 2.74Å; D747-K750 PolarHBondContact OD2-NZ 2.68Å
748	I	90.6	Very high	85.8	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-53.8	-24.8	178	-56.4	-58.1	0	0	0	112.2	H652 M655 F746 K750 I751 V788	H652-I748 WeakPolarHBondContact ND1-CG1 3.39Å; M655-I748 HydrophobicContact CB-CD1 3.93Å; M655-I748 HydrophobicContact CB-CG1 3.84Å; M655-I748 HydrophobicContact CB-CG2 4.21Å; M655-I748 HydrophobicContact CG-CG2 4.42Å; F746-I748 HydrophobicContact CB-CD1 4.49Å; F746-I748 PolarHBondContact O-N 3.49Å; F746-I748 VanDerWaalsContact O-N 3.11Å; I748-K750 PolarHBondContact O-N 3.14Å; I748-K750 VanDerWaalsContact O-N 3.14Å; I748-I751 HydrophobicContact CB-CD1 4.31Å; I748-I751 HydrophobicContact CD1-CD1 3.89Å; I748-I751 HydrophobicContact CG2-CD1 3.91Å; I748-I751 WeakPolarHBondContact O-CB 3.21Å; I748-I751 PolarHBondContact O-N 3.37Å; I748-V788 HydrophobicContact CG2-CG2 3.68Å
749	S	88.3	Confident	86	Confident	64 Å²	64	41 Å²	41	45%	0.448	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-68.8	-8.3	176	80.7	0	0	0	0	114.2	D747	D747-S749 PolarHBondContact O-N 3.11Å; D747-S749 WeakPolarHBondContact OD1-CA 3.29Å; D747-S749 WeakPolarHBondContact OD1-CB 3.46Å; D747-S749 PolarHBondContact OD1-N 2.8Å; D747-S749 PolarHBondContact OD1-OG 3.41Å; D747-S749 PolarHBondContact OD2-OG 2.92Å
750	K	91.4	Very high	85.9	Confident	27 Å²	27	41.5 Å²	41.5	12%	0.117	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-90	-14.2	173.3	-47.9	-55.2	163.5	159	0	114.1	D738 F739 D747 I748 P752 D753 I754	D738-K750 HydrophobicContact CB-CD 3.85Å; D738-K750 HydrophobicContact CB-CG 4.19Å; D738-K750 VanDerWaalsContact O-CE 3.29Å; D738-K750 WeakPolarHBondContact O-CE 3.49Å; D738-K750 IonicContact OD2-NZ 2.73Å; D738-K750 PolarHBondContact OD2-NZ 3.29Å; F739-K750 HydrophobicContact CB-CB 4.2Å; F739-K750 HydrophobicContact CB-CG 4.24Å; F739-K750 HydrophobicContact CD2-CB 4.08Å; D747-K750 HydrophobicContact CB-CG 4.02Å; D747-K750 WeakPolarHBondContact O-CB 3.42Å; D747-K750 WeakPolarHBondContact O-CG 3.37Å; D747-K750 PolarHBondContact O-N 2.85Å; D747-K750 WeakPolarHBondContact OD2-CE 3.49Å; D747-K750 IonicContact OD2-NZ 2.74Å; D747-K750 PolarHBondContact OD2-NZ 2.68Å; I748-K750 PolarHBondContact O-N 3.14Å; I748-K750 VanDerWaalsContact O-N 3.14Å; K750-P752 VanDerWaalsContact C-N 3.3Å; K750-D753 CarbonylContact O-C 3.56Å; K750-D753 WeakPolarHBondContact O-CA 3.35Å; K750-D753 WeakPolarHBondContact O-CB 3.46Å; K750-D753 PolarHBondContact O-N 2.97Å; K750-I754 HydrophobicContact CB-CD1 4.24Å; K750-I754 WeakPolarHBondContact O-CG1 3.4Å; K750-I754 PolarHBondContact O-N 2.72Å
751	I	93.5	Very high	86.2	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-54.5	-41.8	-179.7	-75.2	158.9	0	0	0	112	F739 I748 I754 Y755 L784 A785 V788	F739-I751 HydrophobicContact CE2-CG1 4.17Å; I748-I751 HydrophobicContact CB-CD1 4.31Å; I748-I751 HydrophobicContact CD1-CD1 3.89Å; I748-I751 HydrophobicContact CG2-CD1 3.91Å; I748-I751 WeakPolarHBondContact O-CB 3.21Å; I748-I751 PolarHBondContact O-N 3.37Å; I751-I754 PolarHBondContact O-N 3.01Å; I751-Y755 WeakPolarHBondContact O-CB 3.48Å; I751-Y755 PolarHBondContact O-N 2.94Å; I751-L784 HydrophobicContact CD1-CB 4.08Å; I751-L784 HydrophobicContact CD1-CD1 4.26Å; I751-L784 HydrophobicContact CD1-CD2 4.42Å; I751-L784 HydrophobicContact CG1-CB 4.28Å; I751-L784 HydrophobicContact CG1-CD1 4.39Å; I751-L784 HydrophobicContact CG2-CB 3.67Å; I751-A785 HydrophobicContact CG2-CB 3.99Å; I751-V788 HydrophobicContact CB-CG2 4.46Å; I751-V788 HydrophobicContact CD1-CG2 4.04Å; I751-V788 HydrophobicContact CG2-CB 4.34Å; I751-V788 HydrophobicContact CG2-CG2 4.25Å
752	P	91.2	Very high	86.8	Confident	27 Å²	27	38.6 Å²	38.6	18%	0.175	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-41.3	171.4	-22.8	34.9	0	0	0	113.9	K750 I754 Y755 D756 V788 I789	K750-P752 VanDerWaalsContact C-N 3.3Å; P752-I754 VanDerWaalsContact C-N 3.35Å; P752-I754 PolarHBondContact O-N 2.7Å; P752-Y755 PolarHBondContact O-N 3.41Å; P752-D756 WeakPolarHBondContact O-CB 3.4Å; P752-D756 PolarHBondContact O-N 2.67Å; P752-V788 HydrophobicContact CG-CG1 4.17Å; P752-I789 HydrophobicContact CB-CD1 4.21Å; P752-I789 HydrophobicContact CB-CG1 4.21Å; P752-I789 HydrophobicContact CG-CD1 4.41Å; P752-I789 HydrophobicContact CG-CG1 3.9Å
753	D	90.4	Very high	87.7	Confident	45 Å²	45	34.3 Å²	34.3	24%	0.241	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-38.3	176.1	-77.4	-23.9	0	0	0	110.9	K420 K750 C757	K420-D753 IonicContact NZ-OD1 3.82Å; K420-D753 PolarHBondContact NZ-OD1 3.06Å; K420-D753 IonicContact NZ-OD2 2.66Å; K420-D753 PolarHBondContact NZ-OD2 3.04Å; K750-D753 CarbonylContact O-C 3.56Å; K750-D753 WeakPolarHBondContact O-CA 3.35Å; K750-D753 WeakPolarHBondContact O-CB 3.46Å; K750-D753 PolarHBondContact O-N 2.97Å; D753-C757 PolarHBondContact O-N 3.08Å; D753-C757 PolarHBondContact O-SG 3.42Å; D753-C757 VanDerWaalsContact O-SG 3.39Å
754	I	94.6	Very high	89	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-52	175.6	-67.6	161.5	0	0	0	110.4	V694 I698 I735 F739 K750 I751 P752 D756 C757 I758 A781	V694-I754 HydrophobicContact CG1-CD1 4.36Å; V694-I754 HydrophobicContact CG1-CG2 4.21Å; I698-I754 HydrophobicContact CD1-CD1 4.18Å; I698-I754 HydrophobicContact CD1-CG1 4.18Å; I698-I754 HydrophobicContact CD1-CG2 4.09Å; I735-I754 HydrophobicContact CG2-CD1 4.33Å; I735-I754 HydrophobicContact CG2-CG1 3.44Å; I735-I754 VanDerWaalsContact CG2-CG1 3.44Å; F739-I754 HydrophobicContact CB-CD1 4.25Å; F739-I754 HydrophobicContact CD1-CD1 3.82Å; F739-I754 HydrophobicContact CD2-CD1 3.77Å; F739-I754 HydrophobicContact CE1-CD1 4.02Å; F739-I754 HydrophobicContact CE2-CD1 3.96Å; F739-I754 HydrophobicContact CG-CD1 3.69Å; F739-I754 HydrophobicContact CZ-CD1 4.08Å; K750-I754 HydrophobicContact CB-CD1 4.24Å; K750-I754 WeakPolarHBondContact O-CG1 3.4Å; K750-I754 PolarHBondContact O-N 2.72Å; I751-I754 PolarHBondContact O-N 3.01Å; P752-I754 VanDerWaalsContact C-N 3.35Å; P752-I754 PolarHBondContact O-N 2.7Å; I754-D756 VanDerWaalsContact C-N 3.34Å; I754-D756 PolarHBondContact O-N 3.23Å; I754-C757 PolarHBondContact O-N 3.2Å; I754-C757 VanDerWaalsContact O-N 3.09Å; I754-I758 PolarHBondContact O-N 3.03Å; I754-A781 HydrophobicContact CG2-CB 3.93Å
755	Y	92.4	Very high	90.1	Very high	7 Å²	7	22.6 Å²	22.6	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-45.6	-178	178.1	-109.6	0	0	0	111.5	I751 P752 C757 K759 Y778 A781 K782 A785 E894	I751-Y755 WeakPolarHBondContact O-CB 3.48Å; I751-Y755 PolarHBondContact O-N 2.94Å; P752-Y755 PolarHBondContact O-N 3.41Å; Y755-C757 VanDerWaalsContact C-N 3.29Å; Y755-C757 PolarHBondContact O-N 2.81Å; Y755-K759 HydrophobicContact CE1-CD 3.87Å; Y755-K759 WeakPolarHBondContact O-CB 3.44Å; Y755-K759 PolarHBondContact O-N 2.85Å; Y755-K759 PolarHBondContact OH-NZ 2.71Å; Y755-Y778 HydrophobicContact CD2-CE2 4.38Å; Y755-Y778 AromaticContact CE2-CD2 3.93Å; Y755-Y778 HydrophobicContact CE2-CD2 3.93Å; Y755-Y778 AromaticContact CE2-CE2 3.4Å; Y755-Y778 HydrophobicContact CE2-CE2 3.4Å; Y755-Y778 VanDerWaalsContact CE2-CE2 3.4Å; Y755-Y778 AromaticContact CE2-CZ 3.92Å; Y755-Y778 AromaticContact CZ-CE2 3.87Å; Y755-Y778 PolarHBondContact OH-OH 2.98Å; Y755-Y778 VanDerWaalsContact OH-OH 3.08Å; Y755-A781 HydrophobicContact CD2-CB 4.46Å; Y755-K782 HydrophobicContact CD2-CB 4.07Å; Y755-K782 HydrophobicContact CD2-CG 4.44Å; Y755-K782 HydrophobicContact CE2-CB 3.62Å; Y755-K782 HydrophobicContact CE2-CG 3.67Å; Y755-A785 HydrophobicContact CD1-CB 4.23Å; Y755-A785 HydrophobicContact CD2-CB 4.36Å; Y755-A785 HydrophobicContact CG-CB 3.9Å; Y755-E894 PolarHBondContact OH-OE2 3.49Å
756	D	90.4	Very high	90.4	Very high	36 Å²	36	21 Å²	21	19%	0.193	11%	0.111	C	C	.	.	H	α-helix	trans	-55.5	-42.5	173.9	-108.5	-28.8	0	0	0	112.8	R415 P752 I754 Y760	R415-D756 IonicContact CZ-OD1 2.72Å; R415-D756 IonicContact CZ-OD2 2.68Å; R415-D756 VanDerWaalsContact NH1-CG 3.28Å; R415-D756 IonicContact NH1-OD1 3.3Å; R415-D756 PolarHBondContact NH1-OD1 2.79Å; R415-D756 IonicContact NH1-OD2 3.2Å; R415-D756 PolarHBondContact NH1-OD2 2.8Å; R415-D756 IonicContact NH2-OD1 3.01Å; R415-D756 PolarHBondContact NH2-OD1 3.38Å; R415-D756 IonicContact NH2-OD2 2.94Å; R415-D756 PolarHBondContact NH2-OD2 2.83Å; P752-D756 WeakPolarHBondContact O-CB 3.4Å; P752-D756 PolarHBondContact O-N 2.67Å; I754-D756 VanDerWaalsContact C-N 3.34Å; I754-D756 PolarHBondContact O-N 3.23Å; D756-Y760 WeakPolarHBondContact O-CB 3.09Å; D756-Y760 PolarHBondContact O-N 3.45Å
757	C	92.1	Very high	90.1	Very high	7 Å²	7	26.5 Å²	26.5	5%	0.047	14%	0.137	C	C	.	.	H	α-helix	trans	-73.3	-47.2	-176.1	-78	0	0	0	0	113	W732 I735 D753 I754 Y755 K759 Y760 D761	W732-C757 HydrophobicContact CH2-CB 3.75Å; W732-C757 HydrophobicContact CZ2-CB 3.65Å; W732-C757 HydrophobicContact CZ3-CB 4.44Å; I735-C757 HydrophobicContact CD1-CB 3.9Å; I735-C757 VanDerWaalsContact CD1-SG 3.53Å; D753-C757 PolarHBondContact O-N 3.08Å; D753-C757 PolarHBondContact O-SG 3.42Å; D753-C757 VanDerWaalsContact O-SG 3.39Å; I754-C757 PolarHBondContact O-N 3.2Å; I754-C757 VanDerWaalsContact O-N 3.09Å; Y755-C757 VanDerWaalsContact C-N 3.29Å; Y755-C757 PolarHBondContact O-N 2.81Å; C757-K759 VanDerWaalsContact C-N 3.32Å; C757-K759 PolarHBondContact O-N 3.4Å; C757-Y760 PolarHBondContact O-N 2.85Å; C757-D761 PolarHBondContact O-N 2.61Å
758	I	93.4	Very high	89.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-34.3	177.2	-170.7	59.5	0	0	0	111.6	W732 I754 D761 L762 A774 L777 Y778 A781	W732-I758 HydrophobicContact CH2-CB 4.01Å; W732-I758 HydrophobicContact CZ2-CB 4.26Å; I754-I758 PolarHBondContact O-N 3.03Å; I758-D761 PolarHBondContact O-N 3.22Å; I758-L762 HydrophobicContact CD1-CG 4.29Å; I758-L762 HydrophobicContact CG1-CD1 4.23Å; I758-L762 HydrophobicContact CG1-CG 4.33Å; I758-L762 VanDerWaalsContact O-CB 3.3Å; I758-L762 WeakPolarHBondContact O-CB 3.43Å; I758-L762 WeakPolarHBondContact O-CG 3.26Å; I758-L762 PolarHBondContact O-N 2.94Å; I758-A774 HydrophobicContact CD1-CB 4.16Å; I758-L777 HydrophobicContact CB-CG 4.36Å; I758-L777 HydrophobicContact CD1-CB 4.45Å; I758-L777 HydrophobicContact CD1-CD2 3.92Å; I758-L777 HydrophobicContact CD1-CG 4.21Å; I758-L777 HydrophobicContact CG1-CB 4.27Å; I758-L777 HydrophobicContact CG1-CD2 4.19Å; I758-L777 HydrophobicContact CG1-CG 3.96Å; I758-Y778 HydrophobicContact CG2-CD2 4.33Å; I758-A781 HydrophobicContact CG2-CB 4.24Å
759	K	90	Very high	89.7	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-45.4	173.7	-175.5	169.1	-169.6	154.6	0	112.3	Y755 C757 Q763 Y778 E894 N896	Y755-K759 HydrophobicContact CE1-CD 3.87Å; Y755-K759 WeakPolarHBondContact O-CB 3.44Å; Y755-K759 PolarHBondContact O-N 2.85Å; Y755-K759 PolarHBondContact OH-NZ 2.71Å; C757-K759 VanDerWaalsContact C-N 3.32Å; C757-K759 PolarHBondContact O-N 3.4Å; K759-Q763 WeakPolarHBondContact O-CB 3.33Å; K759-Q763 PolarHBondContact O-N 2.91Å; K759-Y778 HydrophobicContact CB-CD2 4.37Å; K759-Y778 HydrophobicContact CB-CE2 4.21Å; K759-Y778 HydrophobicContact CD-CE2 4.45Å; K759-Y778 HydrophobicContact CG-CE2 4.25Å; K759-E894 IonicContact NZ-OE1 3.49Å; K759-E894 PolarHBondContact NZ-OE1 3.03Å; K759-E894 IonicContact NZ-OE2 3.83Å; K759-E894 PolarHBondContact NZ-OE2 3.27Å; K759-N896 PolarHBondContact NZ-OD1 3.27Å
760	Y	90.3	Very high	89.5	Confident	11 Å²	11	28.2 Å²	28.2	4%	0.043	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-47.1	174.4	174.8	-99	0	0	0	111.8	T416 P417 T543 Y720 D756 C757 L762 Q763 H764	T416-Y760 HydrophobicContact CG2-CE2 4.06Å; P417-Y760 VanDerWaalsContact CD-CG 3.47Å; P417-Y760 HydrophobicContact CG-CD1 3.86Å; P417-Y760 HydrophobicContact CG-CD2 4.24Å; P417-Y760 HydrophobicContact CG-CG 3.68Å; T543-Y760 HydrophobicContact CG2-CE2 4.5Å; Y720-Y760 HydrophobicContact CD1-CE2 4.27Å; Y720-Y760 PolarHBondContact O-OH 2.87Å; D756-Y760 WeakPolarHBondContact O-CB 3.09Å; D756-Y760 PolarHBondContact O-N 3.45Å; C757-Y760 PolarHBondContact O-N 2.85Å; Y760-L762 PolarHBondContact O-N 3.49Å; Y760-Q763 PolarHBondContact O-N 3.37Å; Y760-H764 AromaticContact CD2-CD2 3.37Å; Y760-H764 WeakPolarHBondContact CD2-CD2 3.32Å; Y760-H764 AromaticContact CD2-NE2 3.97Å; Y760-H764 AromaticContact CE2-CD2 3.56Å; Y760-H764 WeakPolarHBondContact O-CB 3.44Å; Y760-H764 PolarHBondContact O-CD2 2.79Å; Y760-H764 PolarHBondContact O-N 1.9Å
761	D	91.6	Very high	89.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-66.8	-38.7	-178.7	-73.2	-31.1	0	0	0	112.4	M728 R731 W732 C757 I758 N765 Q766	M728-D761 HydrophobicContact CE-CB 4.27Å; M728-D761 VanDerWaalsContact CE-CG 3.45Å; M728-D761 VanDerWaalsContact CE-OD1 3.31Å; M728-D761 WeakPolarHBondContact CE-OD1 3.07Å; R731-D761 IonicContact CZ-OD1 3.18Å; R731-D761 IonicContact CZ-OD2 2.7Å; R731-D761 IonicContact NH1-OD1 3.18Å; R731-D761 IonicContact NH1-OD2 3.23Å; R731-D761 PolarHBondContact NH1-OD2 2.77Å; R731-D761 IonicContact NH2-OD1 3.35Å; R731-D761 PolarHBondContact NH2-OD1 3.37Å; R731-D761 IonicContact NH2-OD2 2.67Å; R731-D761 PolarHBondContact NH2-OD2 2.81Å; W732-D761 PolarHBondContact NE1-OD2 3.35Å; C757-D761 PolarHBondContact O-N 2.61Å; I758-D761 PolarHBondContact O-N 3.22Å; D761-N765 HydrophobicContact CB-CB 4.4Å; D761-N765 CarbonylContact O-C 3.58Å; D761-N765 WeakPolarHBondContact O-CA 3.23Å; D761-N765 PolarHBondContact O-N 3.28Å; D761-N765 PolarHBondContact OD1-ND2 3.45Å; D761-Q766 PolarHBondContact O-N 3.25Å
762	L	89.9	Confident	89	Confident	22 Å²	22	34.2 Å²	34.2	12%	0.115	17%	0.172	C	C	.	.	I	π-helix	trans	-64.1	-39	172.9	-83.1	177.2	0	0	0	113.5	I758 Y760 Q766 A774 Y778 V933	I758-L762 HydrophobicContact CD1-CG 4.29Å; I758-L762 HydrophobicContact CG1-CD1 4.23Å; I758-L762 HydrophobicContact CG1-CG 4.33Å; I758-L762 VanDerWaalsContact O-CB 3.3Å; I758-L762 WeakPolarHBondContact O-CB 3.43Å; I758-L762 WeakPolarHBondContact O-CG 3.26Å; I758-L762 PolarHBondContact O-N 2.94Å; Y760-L762 PolarHBondContact O-N 3.49Å; L762-Q766 HydrophobicContact CD2-CB 4.43Å; L762-Q766 HydrophobicContact CD2-CG 4.1Å; L762-A774 HydrophobicContact CD2-CB 3.55Å; L762-A774 HydrophobicContact CG-CB 4.27Å; L762-Y778 HydrophobicContact CD1-CD2 3.94Å; L762-Y778 HydrophobicContact CD1-CG 3.69Å; L762-V933 HydrophobicContact CD1-CG2 3.8Å
763	Q	86.1	Confident	89	Confident	58 Å²	58	36 Å²	36	27%	0.271	18%	0.178	S	C	.	.	I	π-helix	trans	-75.3	-35.5	-178.5	-168.8	178.9	-73.4	0	0	112.3	D414 K759 Y760	D414-Q763 VanDerWaalsContact CG-NE2 3.34Å; D414-Q763 PolarHBondContact OD2-NE2 2.8Å; D414-Q763 VanDerWaalsContact OD2-NE2 3.12Å; K759-Q763 WeakPolarHBondContact O-CB 3.33Å; K759-Q763 PolarHBondContact O-N 2.91Å; Y760-Q763 PolarHBondContact O-N 3.37Å
764	H	87.9	Confident	89	Confident	14 Å²	14	33.8 Å²	33.8	7%	0.065	17%	0.166	C	C	.	.	I	π-helix	trans	-118.4	-37.3	-167.4	-63.6	-72.7	0	0	0	114.8	D414 Y720 Y760 H767	D414-H764 IonicContact OD1-NE2 3.81Å; D414-H764 IonicContact OD2-CE1 3.22Å; D414-H764 PolarHBondContact OD2-CE1 2.91Å; D414-H764 IonicContact OD2-NE2 3.94Å; D414-H764 PolarHBondContact OD2-NE2 3.24Å; Y720-H764 HydrophobicContact CD1-CB 3.95Å; Y720-H764 AromaticContact CD1-CG 3.85Å; Y720-H764 AromaticContact CD1-ND1 3.78Å; Y720-H764 HydrophobicContact CD2-CB 3.99Å; Y720-H764 AromaticContact CD2-ND1 3.81Å; Y720-H764 AromaticContact CE1-CE1 3.7Å; Y720-H764 AromaticContact CE1-ND1 3.5Å; Y720-H764 AromaticContact CE2-ND1 3.52Å; Y720-H764 HydrophobicContact CG-CB 3.62Å; Y720-H764 AromaticContact CG-CG 3.95Å; Y720-H764 AromaticContact CG-ND1 3.92Å; Y720-H764 AromaticContact CZ-CE1 3.66Å; Y720-H764 AromaticContact CZ-ND1 3.35Å; Y720-H764 VanDerWaalsContact CZ-ND1 3.35Å; Y760-H764 AromaticContact CD2-CD2 3.37Å; Y760-H764 WeakPolarHBondContact CD2-CD2 3.32Å; Y760-H764 AromaticContact CD2-NE2 3.97Å; Y760-H764 AromaticContact CE2-CD2 3.56Å; Y760-H764 WeakPolarHBondContact O-CB 3.44Å; Y760-H764 PolarHBondContact O-CD2 2.79Å; Y760-H764 PolarHBondContact O-N 1.9Å; H764-H767 PolarHBondContact O-CE1 2.83Å; H764-H767 PolarHBondContact O-ND1 3.13Å; H764-H767 VanDerWaalsContact O-ND1 3.11Å
765	N	88.8	Confident	88.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.19	C	C	.	.	I	π-helix	trans	-105.2	-17.9	-170	-71.2	-32.8	0	0	0	114.6	Y720 M728 D761 H767 T768 L769	Y720-N765 VanDerWaalsContact CB-OD1 3.29Å; Y720-N765 WeakPolarHBondContact CB-OD1 3.14Å; Y720-N765 PolarHBondContact N-OD1 2.9Å; M728-N765 HydrophobicContact CE-CB 4.25Å; D761-N765 HydrophobicContact CB-CB 4.4Å; D761-N765 CarbonylContact O-C 3.58Å; D761-N765 WeakPolarHBondContact O-CA 3.23Å; D761-N765 PolarHBondContact O-N 3.28Å; D761-N765 PolarHBondContact OD1-ND2 3.45Å; N765-H767 PolarHBondContact O-N 3.21Å; N765-T768 PolarHBondContact O-N 3Å; N765-L769 WeakPolarHBondContact O-CB 3.31Å; N765-L769 PolarHBondContact O-N 3.42Å
766	Q	86.8	Confident	88.9	Confident	51 Å²	51	41.6 Å²	41.6	24%	0.238	20%	0.203	C	C	.	.	H	α-helix	trans	-55	-32.3	-170.7	-175.7	61.7	-1.1	0	0	114.9	D761 L762 T768 Q770 Y771	D761-Q766 PolarHBondContact O-N 3.25Å; L762-Q766 HydrophobicContact CD2-CB 4.43Å; L762-Q766 HydrophobicContact CD2-CG 4.1Å; Q766-T768 PolarHBondContact O-N 3.22Å; Q766-Q770 PolarHBondContact O-N 3.38Å; Q766-Y771 PolarHBondContact NE2-O 3.01Å
767	H	84.3	Confident	89.1	Confident	132 Å²	132	39.9 Å²	39.9	61%	0.611	19%	0.194	S	C	*	.	H	α-helix	trans	-61.1	-29	177.7	68.6	-88.3	0	0	0	113.4	H764 N765 Q770	H764-H767 PolarHBondContact O-CE1 2.83Å; H764-H767 PolarHBondContact O-ND1 3.13Å; H764-H767 VanDerWaalsContact O-ND1 3.11Å; N765-H767 PolarHBondContact O-N 3.21Å; H767-Q770 WeakPolarHBondContact O-CG 3.46Å; H767-Q770 PolarHBondContact O-NE2 3Å
768	T	84.6	Confident	89.2	Confident	30 Å²	30	39.7 Å²	39.7	18%	0.184	19%	0.192	C	C	.	.	H	α-helix	trans	-101.7	-41.6	178.4	-67.7	0	0	0	0	111.5	K708 A717 L719 W725 N765 Q766	K708-T768 PolarHBondContact NZ-O 2.99Å; A717-T768 HydrophobicContact CB-CG2 4.41Å; L719-T768 HydrophobicContact CD2-CG2 3.87Å; W725-T768 HydrophobicContact CH2-CG2 4.01Å; W725-T768 HydrophobicContact CZ2-CG2 3.75Å; N765-T768 PolarHBondContact O-N 3Å; Q766-T768 PolarHBondContact O-N 3.22Å
769	L	84.9	Confident	89.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-47.8	178.6	-179.9	65.9	0	0	0	112.1	L701 I705 K708 W725 M728 N765 Y771	L701-L769 HydrophobicContact CD1-CD1 3.86Å; L701-L769 HydrophobicContact CD1-CD2 3.84Å; L701-L769 HydrophobicContact CD1-CG 4.28Å; I705-L769 HydrophobicContact CG1-CD1 3.94Å; K708-L769 VanDerWaalsContact CE-O 3.27Å; K708-L769 WeakPolarHBondContact CE-O 3.42Å; W725-L769 HydrophobicContact CZ3-CD1 4.12Å; M728-L769 HydrophobicContact CE-CD1 4.03Å; M728-L769 HydrophobicContact CE-CD2 4.04Å; M728-L769 HydrophobicContact CE-CG 4.49Å; M728-L769 HydrophobicContact SD-CD1 4.28Å; N765-L769 WeakPolarHBondContact O-CB 3.31Å; N765-L769 PolarHBondContact O-N 3.42Å; L769-Y771 VanDerWaalsContact C-N 3.3Å; L769-Y771 PolarHBondContact O-N 2.87Å
770	Q	85.1	Confident	89.4	Confident	115 Å²	115	45.3 Å²	45.3	54%	0.537	22%	0.217	S	C	.	.			trans	53.8	43.2	175.9	-59	165.1	-7	0	0	113	Q766 H767	Q766-Q770 PolarHBondContact O-N 3.38Å; H767-Q770 WeakPolarHBondContact O-CG 3.46Å; H767-Q770 PolarHBondContact O-NE2 3Å
771	Y	88	Confident	89.6	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.02	22%	0.216	C	C	.	.			trans	-89.5	112.5	173.6	176.3	-136.1	0	0	0	109.2	L697 E700 L701 I704 Q766 L769 Q773 A774 L777	L697-Y771 WeakPolarHBondContact CD2-OH 3.43Å; L697-Y771 PolarHBondContact O-OH 3.35Å; E700-Y771 HydrophobicContact CG-CE2 4.2Å; E700-Y771 PolarHBondContact OE2-OH 3.12Å; L701-Y771 HydrophobicContact CB-CD1 4.14Å; L701-Y771 HydrophobicContact CB-CE1 3.87Å; L701-Y771 HydrophobicContact CD1-CD1 3.86Å; L701-Y771 HydrophobicContact CD1-CE1 4.46Å; L701-Y771 HydrophobicContact CD1-CG 4.2Å; L701-Y771 HydrophobicContact CG-CD1 4.42Å; I704-Y771 HydrophobicContact CG1-CD2 4Å; I704-Y771 HydrophobicContact CG1-CE2 4.46Å; Q766-Y771 PolarHBondContact NE2-O 3.01Å; L769-Y771 VanDerWaalsContact C-N 3.3Å; L769-Y771 PolarHBondContact O-N 2.87Å; Y771-Q773 VanDerWaalsContact C-N 3.34Å; Y771-Q773 HydrophobicContact CE1-CB 4.2Å; Y771-Q773 HydrophobicContact CE2-CB 3.94Å; Y771-Q773 VanDerWaalsContact CE2-OE1 3.29Å; Y771-Q773 PolarHBondContact O-N 3.33Å; Y771-A774 HydrophobicContact CD1-CB 3.75Å; Y771-A774 HydrophobicContact CG-CB 4.32Å; Y771-A774 WeakPolarHBondContact O-CB 3.43Å; Y771-A774 PolarHBondContact O-N 3.4Å; Y771-A774 VanDerWaalsContact O-N 3.11Å; Y771-L777 HydrophobicContact CE1-CD2 4.41Å
772	D	86.6	Confident	89.7	Confident	151 Å²	151	45.3 Å²	45.3	81%	0.807	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-35.3	-171.3	-67.4	-40.5	0	0	0	112.9	A774	D772-A774 VanDerWaalsContact C-N 3.28Å; D772-A774 PolarHBondContact O-N 3.14Å
773	Q	90.8	Very high	89.9	Confident	63 Å²	63	45.6 Å²	45.6	29%	0.294	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	11.1	177	-57.2	144.3	-80.6	0	0	113.3	L697 E700 Y771 E775 E776 L777	L697-Q773 HydrophobicContact CD2-CB 3.95Å; L697-Q773 HydrophobicContact CD2-CG 4.43Å; E700-Q773 PolarHBondContact OE2-NE2 2.85Å; E700-Q773 PolarHBondContact OE2-OE1 2.82Å; Y771-Q773 VanDerWaalsContact C-N 3.34Å; Y771-Q773 HydrophobicContact CE1-CB 4.2Å; Y771-Q773 HydrophobicContact CE2-CB 3.94Å; Y771-Q773 VanDerWaalsContact CE2-OE1 3.29Å; Y771-Q773 PolarHBondContact O-N 3.33Å; Q773-E775 PolarHBondContact O-N 3.31Å; Q773-E776 HydrophobicContact CB-CB 4.3Å; Q773-E776 WeakPolarHBondContact O-CB 3.4Å; Q773-E776 PolarHBondContact O-N 3.32Å; Q773-L777 PolarHBondContact O-N 2.84Å
774	A	90.2	Very high	90.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-35	177.8	0	0	0	0	0	112.4	I758 L762 Y771 D772 Y778	I758-A774 HydrophobicContact CD1-CB 4.16Å; L762-A774 HydrophobicContact CD2-CB 3.55Å; L762-A774 HydrophobicContact CG-CB 4.27Å; Y771-A774 HydrophobicContact CD1-CB 3.75Å; Y771-A774 HydrophobicContact CG-CB 4.32Å; Y771-A774 WeakPolarHBondContact O-CB 3.43Å; Y771-A774 PolarHBondContact O-N 3.4Å; Y771-A774 VanDerWaalsContact O-N 3.11Å; D772-A774 VanDerWaalsContact C-N 3.28Å; D772-A774 PolarHBondContact O-N 3.14Å; A774-Y778 WeakPolarHBondContact O-CB 3.32Å; A774-Y778 PolarHBondContact O-N 2.96Å
775	E	90.8	Very high	90.6	Very high	107 Å²	107	42.3 Å²	42.3	50%	0.5	20%	0.204	S	C	.	.	H	α-helix	trans	-67.3	-38.1	173.8	-176.3	167	179.1	0	0	111.7	Q773 Y778 I779 V933	Q773-E775 PolarHBondContact O-N 3.31Å; E775-Y778 PolarHBondContact O-N 3.25Å; E775-I779 HydrophobicContact CG-CD1 4.05Å; E775-I779 VanDerWaalsContact O-CG1 3.27Å; E775-I779 WeakPolarHBondContact O-CG1 3.42Å; E775-I779 PolarHBondContact O-N 3.01Å; E775-V933 HydrophobicContact CG-CG1 3.85Å; E775-V933 HydrophobicContact CG-CG2 4.45Å; E775-V933 WeakPolarHBondContact OE1-CG1 3.35Å
776	E	93.9	Very high	90.8	Very high	64 Å²	64	42.9 Å²	42.9	30%	0.299	21%	0.208	S	C	.	.	H	α-helix	trans	-64.7	-50	174.9	-173.4	178.4	-174.3	0	0	111.3	H693 L697 Q773 Y778 I779 Y780	H693-E776 IonicContact CD2-OE1 2.65Å; H693-E776 IonicContact CE1-OE1 2.64Å; H693-E776 IonicContact NE2-OE1 2.68Å; H693-E776 PolarHBondContact NE2-OE1 2.85Å; L697-E776 HydrophobicContact CD1-CG 4.09Å; Q773-E776 HydrophobicContact CB-CB 4.3Å; Q773-E776 WeakPolarHBondContact O-CB 3.4Å; Q773-E776 PolarHBondContact O-N 3.32Å; E776-Y778 PolarHBondContact O-N 2.84Å; E776-I779 PolarHBondContact O-N 3.44Å; E776-Y780 HydrophobicContact CG-CD2 3.73Å; E776-Y780 HydrophobicContact CG-CE2 3.63Å; E776-Y780 WeakPolarHBondContact O-CD2 3.26Å; E776-Y780 PolarHBondContact O-N 3.04Å; E776-Y780 WeakPolarHBondContact OE1-CE2 3.4Å
777	L	95.1	Very high	91.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-38.7	175.9	176.4	54.9	0	0	0	111.6	V694 L697 I698 L701 W732 I758 Y771 Q773 A781	V694-L777 HydrophobicContact CG1-CD1 3.98Å; L697-L777 HydrophobicContact CB-CB 4.18Å; L697-L777 HydrophobicContact CB-CD1 3.97Å; L697-L777 HydrophobicContact CB-CD2 4.45Å; L697-L777 HydrophobicContact CB-CG 4.41Å; L697-L777 HydrophobicContact CD1-CB 4.1Å; L697-L777 HydrophobicContact CD1-CD1 4.45Å; I698-L777 HydrophobicContact CG1-CD1 3.99Å; I698-L777 HydrophobicContact CG1-CD2 4.2Å; L701-L777 HydrophobicContact CD2-CD2 3.96Å; W732-L777 HydrophobicContact CH2-CD2 4.46Å; I758-L777 HydrophobicContact CB-CG 4.36Å; I758-L777 HydrophobicContact CD1-CB 4.45Å; I758-L777 HydrophobicContact CD1-CD2 3.92Å; I758-L777 HydrophobicContact CD1-CG 4.21Å; I758-L777 HydrophobicContact CG1-CB 4.27Å; I758-L777 HydrophobicContact CG1-CD2 4.19Å; I758-L777 HydrophobicContact CG1-CG 3.96Å; Y771-L777 HydrophobicContact CE1-CD2 4.41Å; Q773-L777 PolarHBondContact O-N 2.84Å; L777-A781 WeakPolarHBondContact O-CB 3.49Å; L777-A781 PolarHBondContact O-N 2.82Å
778	Y	93.4	Very high	91.5	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-43.8	172.2	171.7	-88.4	0	0	0	112.9	Y755 I758 K759 L762 A774 E775 E776 K782 V933	Y755-Y778 HydrophobicContact CD2-CE2 4.38Å; Y755-Y778 AromaticContact CE2-CD2 3.93Å; Y755-Y778 HydrophobicContact CE2-CD2 3.93Å; Y755-Y778 AromaticContact CE2-CE2 3.4Å; Y755-Y778 HydrophobicContact CE2-CE2 3.4Å; Y755-Y778 VanDerWaalsContact CE2-CE2 3.4Å; Y755-Y778 AromaticContact CE2-CZ 3.92Å; Y755-Y778 AromaticContact CZ-CE2 3.87Å; Y755-Y778 PolarHBondContact OH-OH 2.98Å; Y755-Y778 VanDerWaalsContact OH-OH 3.08Å; I758-Y778 HydrophobicContact CG2-CD2 4.33Å; K759-Y778 HydrophobicContact CB-CD2 4.37Å; K759-Y778 HydrophobicContact CB-CE2 4.21Å; K759-Y778 HydrophobicContact CD-CE2 4.45Å; K759-Y778 HydrophobicContact CG-CE2 4.25Å; L762-Y778 HydrophobicContact CD1-CD2 3.94Å; L762-Y778 HydrophobicContact CD1-CG 3.69Å; A774-Y778 WeakPolarHBondContact O-CB 3.32Å; A774-Y778 PolarHBondContact O-N 2.96Å; E775-Y778 PolarHBondContact O-N 3.25Å; E776-Y778 PolarHBondContact O-N 2.84Å; Y778-K782 HydrophobicContact CE1-CB 4.46Å; Y778-K782 HydrophobicContact CE1-CD 4.22Å; Y778-K782 WeakPolarHBondContact O-CB 3.4Å; Y778-K782 PolarHBondContact O-N 3.38Å; Y778-V933 HydrophobicContact CD1-CB 4.12Å; Y778-V933 HydrophobicContact CD1-CG1 4.08Å; Y778-V933 HydrophobicContact CD1-CG2 4.02Å; Y778-V933 HydrophobicContact CE1-CB 3.96Å; Y778-V933 HydrophobicContact CE1-CG1 4.11Å; Y778-V933 HydrophobicContact CE1-CG2 4.26Å; Y778-V933 HydrophobicContact CG-CG2 4.43Å
779	I	92.9	Very high	91.8	Very high	61 Å²	61	34.2 Å²	34.2	31%	0.313	17%	0.166	S	C	.	.	H	α-helix	trans	-62.8	-47.6	-179.7	-71.4	163.3	0	0	0	111	F683 E775 E776 K782 N783	F683-I779 HydrophobicContact CE1-CG2 4.39Å; F683-I779 HydrophobicContact CE2-CG2 4.08Å; F683-I779 HydrophobicContact CZ-CG2 3.71Å; E775-I779 HydrophobicContact CG-CD1 4.05Å; E775-I779 VanDerWaalsContact O-CG1 3.27Å; E775-I779 WeakPolarHBondContact O-CG1 3.42Å; E775-I779 PolarHBondContact O-N 3.01Å; E776-I779 PolarHBondContact O-N 3.44Å; I779-K782 PolarHBondContact O-N 3.41Å; I779-N783 PolarHBondContact O-N 2.96Å; I779-N783 VanDerWaalsContact O-N 3.08Å; I779-N783 PolarHBondContact O-ND2 3.15Å
780	Y	95.6	Very high	92	Very high	64 Å²	64	35.4 Å²	35.4	25%	0.251	17%	0.174	S	C	.	.	H	α-helix	trans	-67	-45.8	177.9	-77.9	-90.4	0	0	0	111.9	F683 H693 E776 K782 N783 L784	F683-Y780 AromaticContact CE1-CD1 3.59Å; F683-Y780 HydrophobicContact CE1-CD1 3.59Å; F683-Y780 AromaticContact CE1-CE1 3.74Å; F683-Y780 HydrophobicContact CE1-CE1 3.74Å; F683-Y780 HydrophobicContact CE1-CG 4.04Å; F683-Y780 HydrophobicContact CZ-CD1 4.05Å; F683-Y780 HydrophobicContact CZ-CD2 4.38Å; F683-Y780 AromaticContact CZ-CE1 3.88Å; F683-Y780 HydrophobicContact CZ-CE1 3.88Å; F683-Y780 HydrophobicContact CZ-CE2 4.24Å; F683-Y780 HydrophobicContact CZ-CG 4.3Å; F683-Y780 AromaticContact CZ-CZ 3.99Å; H693-Y780 AromaticContact CD2-CD1 3.96Å; H693-Y780 AromaticContact CD2-CD2 3.65Å; H693-Y780 AromaticContact CD2-CE1 3.74Å; H693-Y780 AromaticContact CD2-CE2 3.4Å; H693-Y780 WeakPolarHBondContact CD2-CE2 3.32Å; H693-Y780 AromaticContact CD2-CG 3.93Å; H693-Y780 AromaticContact CD2-CZ 3.44Å; H693-Y780 VanDerWaalsContact CD2-CZ 3.44Å; H693-Y780 AromaticContact NE2-CE2 3.57Å; H693-Y780 AromaticContact NE2-CZ 3.82Å; E776-Y780 HydrophobicContact CG-CD2 3.73Å; E776-Y780 HydrophobicContact CG-CE2 3.63Å; E776-Y780 WeakPolarHBondContact O-CD2 3.26Å; E776-Y780 PolarHBondContact O-N 3.04Å; E776-Y780 WeakPolarHBondContact OE1-CE2 3.4Å; Y780-K782 VanDerWaalsContact C-N 3.29Å; Y780-K782 PolarHBondContact O-N 3.29Å; Y780-N783 PolarHBondContact O-N 3.46Å; Y780-L784 PolarHBondContact O-N 3.05Å; Y780-L784 VanDerWaalsContact O-N 3.14Å
781	A	95.2	Very high	92.2	Very high	2 Å²	2	30 Å²	30	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-35.1	176.1	0	0	0	0	0	112.6	I754 Y755 I758 L777 A785	I754-A781 HydrophobicContact CG2-CB 3.93Å; Y755-A781 HydrophobicContact CD2-CB 4.46Å; I758-A781 HydrophobicContact CG2-CB 4.24Å; L777-A781 WeakPolarHBondContact O-CB 3.49Å; L777-A781 PolarHBondContact O-N 2.82Å; A781-A785 VanDerWaalsContact O-CB 3.24Å; A781-A785 WeakPolarHBondContact O-CB 3.37Å; A781-A785 PolarHBondContact O-N 3.39Å
782	K	92.7	Very high	92.3	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-50.4	176.1	-166.9	-163.1	-175.5	-57.1	0	111.4	Y755 Y778 I779 Y780 L784 A785 D786 S893	Y755-K782 HydrophobicContact CD2-CB 4.07Å; Y755-K782 HydrophobicContact CD2-CG 4.44Å; Y755-K782 HydrophobicContact CE2-CB 3.62Å; Y755-K782 HydrophobicContact CE2-CG 3.67Å; Y778-K782 HydrophobicContact CE1-CB 4.46Å; Y778-K782 HydrophobicContact CE1-CD 4.22Å; Y778-K782 WeakPolarHBondContact O-CB 3.4Å; Y778-K782 PolarHBondContact O-N 3.38Å; I779-K782 PolarHBondContact O-N 3.41Å; Y780-K782 VanDerWaalsContact C-N 3.29Å; Y780-K782 PolarHBondContact O-N 3.29Å; K782-L784 VanDerWaalsContact C-N 3.28Å; K782-L784 PolarHBondContact O-N 2.8Å; K782-A785 CarbonylContact O-C 3.59Å; K782-A785 WeakPolarHBondContact O-CA 3.4Å; K782-A785 PolarHBondContact O-N 3.02Å; K782-D786 IonicContact NZ-OD1 3.62Å; K782-D786 PolarHBondContact NZ-OD1 2.83Å; K782-D786 IonicContact NZ-OD2 3.71Å; K782-D786 PolarHBondContact NZ-OD2 3.25Å; K782-D786 WeakPolarHBondContact O-CB 3.22Å; K782-D786 PolarHBondContact O-N 2.75Å; K782-S893 PolarHBondContact NZ-OG 3.26Å
783	N	94.4	Very high	92.3	Very high	27 Å²	27	25.2 Å²	25.2	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-37.2	-178.4	-76.4	-85.4	0	0	0	111.5	F683 V684 I779 Y780 I787	F683-N783 HydrophobicContact CB-CB 4.37Å; F683-N783 HydrophobicContact CD1-CB 3.51Å; F683-N783 VanDerWaalsContact CD1-CG 3.42Å; F683-N783 HydrophobicContact CE1-CB 4.12Å; F683-N783 HydrophobicContact CG-CB 4.15Å; V684-N783 HydrophobicContact CG2-CB 4.03Å; I779-N783 PolarHBondContact O-N 2.96Å; I779-N783 VanDerWaalsContact O-N 3.08Å; I779-N783 PolarHBondContact O-ND2 3.15Å; Y780-N783 PolarHBondContact O-N 3.46Å; N783-I787 PolarHBondContact O-N 3.16Å
784	L	95.3	Very high	92.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-43.8	169.7	-72.2	172.7	0	0	0	112.2	M655 V684 C690 V694 I751 Y780 K782 I787 V788	M655-L784 HydrophobicContact CE-CD2 3.88Å; V684-L784 HydrophobicContact CG1-CD2 3.95Å; V684-L784 HydrophobicContact CG2-CD2 3.96Å; V684-L784 HydrophobicContact CG2-CG 4.33Å; C690-L784 HydrophobicContact CB-CD2 4.31Å; V694-L784 HydrophobicContact CG2-CD1 4.02Å; I751-L784 HydrophobicContact CD1-CB 4.08Å; I751-L784 HydrophobicContact CD1-CD1 4.26Å; I751-L784 HydrophobicContact CD1-CD2 4.42Å; I751-L784 HydrophobicContact CG1-CB 4.28Å; I751-L784 HydrophobicContact CG1-CD1 4.39Å; I751-L784 HydrophobicContact CG2-CB 3.67Å; Y780-L784 PolarHBondContact O-N 3.05Å; Y780-L784 VanDerWaalsContact O-N 3.14Å; K782-L784 VanDerWaalsContact C-N 3.28Å; K782-L784 PolarHBondContact O-N 2.8Å; L784-I787 PolarHBondContact O-N 2.8Å; L784-V788 WeakPolarHBondContact O-CG2 3.13Å; L784-V788 PolarHBondContact O-N 2.73Å
785	A	93.4	Very high	92.1	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-67.7	-33.1	178.8	0	0	0	0	0	113.6	I751 Y755 A781 K782 I787 V788 I789	I751-A785 HydrophobicContact CG2-CB 3.99Å; Y755-A785 HydrophobicContact CD1-CB 4.23Å; Y755-A785 HydrophobicContact CD2-CB 4.36Å; Y755-A785 HydrophobicContact CG-CB 3.9Å; A781-A785 VanDerWaalsContact O-CB 3.24Å; A781-A785 WeakPolarHBondContact O-CB 3.37Å; A781-A785 PolarHBondContact O-N 3.39Å; K782-A785 CarbonylContact O-C 3.59Å; K782-A785 WeakPolarHBondContact O-CA 3.4Å; K782-A785 PolarHBondContact O-N 3.02Å; A785-I787 PolarHBondContact O-N 2.87Å; A785-V788 PolarHBondContact O-N 2.7Å; A785-I789 HydrophobicContact CB-CD1 3.96Å; A785-I789 HydrophobicContact CB-CG1 4.37Å; A785-I789 WeakPolarHBondContact O-CB 3.41Å; A785-I789 WeakPolarHBondContact O-CG1 3.01Å; A785-I789 PolarHBondContact O-N 2.84Å
786	D	92.3	Very high	92.1	Very high	13 Å²	13	19.6 Å²	19.6	7%	0.07	10%	0.098	C	C	.	.	H	α-helix	trans	-65.2	-26.5	175.8	-70.5	-14.6	0	0	0	112.1	A680 K782 P790 S893	A680-D786 HydrophobicContact CB-CB 3.9Å; K782-D786 IonicContact NZ-OD1 3.62Å; K782-D786 PolarHBondContact NZ-OD1 2.83Å; K782-D786 IonicContact NZ-OD2 3.71Å; K782-D786 PolarHBondContact NZ-OD2 3.25Å; K782-D786 WeakPolarHBondContact O-CB 3.22Å; K782-D786 PolarHBondContact O-N 2.75Å; D786-P790 VanDerWaalsContact O-CD 3.26Å; D786-P790 WeakPolarHBondContact O-CD 3.15Å; D786-P790 VanDerWaalsContact O-CG 3.31Å; D786-P790 WeakPolarHBondContact O-CG 2.96Å; D786-S893 WeakPolarHBondContact OD2-CB 3.36Å
787	I	93.5	Very high	91.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-82.7	-51.4	168.8	-59.2	164.6	0	0	0	109.9	M655 I669 I677 A680 L681 V684 N783 L784 A785 Q791	M655-I787 HydrophobicContact SD-CG2 4.32Å; I669-I787 HydrophobicContact CG2-CG2 3.74Å; I677-I787 HydrophobicContact CG2-CG1 4.47Å; A680-I787 HydrophobicContact CB-CD1 4.19Å; A680-I787 HydrophobicContact CB-CG1 3.7Å; L681-I787 HydrophobicContact CD2-CD1 3.82Å; L681-I787 HydrophobicContact CD2-CG1 4.37Å; L681-I787 HydrophobicContact CG-CD1 4.15Å; L681-I787 HydrophobicContact CG-CG1 4.36Å; V684-I787 HydrophobicContact CB-CD1 4.21Å; V684-I787 HydrophobicContact CG2-CD1 3.9Å; N783-I787 PolarHBondContact O-N 3.16Å; L784-I787 PolarHBondContact O-N 2.8Å; A785-I787 PolarHBondContact O-N 2.87Å; I787-Q791 VanDerWaalsContact O-CG 3.32Å; I787-Q791 WeakPolarHBondContact O-CG 3.23Å
788	V	92.4	Very high	91.5	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-68	-54.9	-169.2	172.3	0	0	0	0	112.3	I748 I751 P752 L784 A785 Q791 E792	I748-V788 HydrophobicContact CG2-CG2 3.68Å; I751-V788 HydrophobicContact CB-CG2 4.46Å; I751-V788 HydrophobicContact CD1-CG2 4.04Å; I751-V788 HydrophobicContact CG2-CB 4.34Å; I751-V788 HydrophobicContact CG2-CG2 4.25Å; P752-V788 HydrophobicContact CG-CG1 4.17Å; L784-V788 WeakPolarHBondContact O-CG2 3.13Å; L784-V788 PolarHBondContact O-N 2.73Å; A785-V788 PolarHBondContact O-N 2.7Å; V788-Q791 PolarHBondContact O-N 2.97Å; V788-E792 HydrophobicContact CG1-CG 4.08Å; V788-E792 WeakPolarHBondContact O-CG 3.43Å; V788-E792 PolarHBondContact O-N 2.68Å
789	I	90.8	Very high	91.2	Very high	29 Å²	29	26.4 Å²	26.4	15%	0.149	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-47.2	-170.3	-62.2	175.1	0	0	0	112.2	P752 A785 Q791 E792 Y793	P752-I789 HydrophobicContact CB-CD1 4.21Å; P752-I789 HydrophobicContact CB-CG1 4.21Å; P752-I789 HydrophobicContact CG-CD1 4.41Å; P752-I789 HydrophobicContact CG-CG1 3.9Å; A785-I789 HydrophobicContact CB-CD1 3.96Å; A785-I789 HydrophobicContact CB-CG1 4.37Å; A785-I789 WeakPolarHBondContact O-CB 3.41Å; A785-I789 WeakPolarHBondContact O-CG1 3.01Å; A785-I789 PolarHBondContact O-N 2.84Å; I789-Q791 VanDerWaalsContact C-N 3.31Å; I789-Q791 PolarHBondContact O-N 2.89Å; I789-E792 PolarHBondContact O-N 2.91Å; I789-Y793 HydrophobicContact CG2-CE2 4.5Å; I789-Y793 VanDerWaalsContact O-CD2 3.27Å; I789-Y793 WeakPolarHBondContact O-CD2 3.3Å
790	P	89.1	Confident	91.1	Very high	26 Å²	26	24.1 Å²	24.1	17%	0.169	12%	0.121	C	C	.	.	H	α-helix	trans	-67.2	-29.3	179.5	-23.7	37.3	0	0	0	113.9	I677 D786 K800	I677-P790 HydrophobicContact CD1-CB 4.09Å; D786-P790 VanDerWaalsContact O-CD 3.26Å; D786-P790 WeakPolarHBondContact O-CD 3.15Å; D786-P790 VanDerWaalsContact O-CG 3.31Å; D786-P790 WeakPolarHBondContact O-CG 2.96Å; P790-K800 PolarHBondContact O-NZ 2.77Å
791	Q	90.8	Very high	90.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-90	-13.1	-179.1	-54	-54.3	52.8	0	0	113.2	L651 I669 I677 I787 V788 I789 Y793 G794 L795 K800	L651-Q791 HydrophobicContact CD1-CB 4.23Å; L651-Q791 HydrophobicContact CD2-CB 3.74Å; I669-Q791 PolarHBondContact O-NE2 3.01Å; I677-Q791 HydrophobicContact CD1-CG 4.22Å; I787-Q791 VanDerWaalsContact O-CG 3.32Å; I787-Q791 WeakPolarHBondContact O-CG 3.23Å; V788-Q791 PolarHBondContact O-N 2.97Å; I789-Q791 VanDerWaalsContact C-N 3.31Å; I789-Q791 PolarHBondContact O-N 2.89Å; Q791-Y793 PolarHBondContact O-N 3.37Å; Q791-G794 CarbonylContact O-C 3.51Å; Q791-G794 PolarHBondContact O-N 2.88Å; Q791-G794 VanDerWaalsContact O-N 3.16Å; Q791-L795 HydrophobicContact CB-CD1 4.5Å; Q791-L795 HydrophobicContact CB-CG 4.36Å; Q791-K800 VanDerWaalsContact OE1-CE 3.27Å
792	E	88.2	Confident	90.3	Very high	30 Å²	30	23.9 Å²	23.9	14%	0.14	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.8	163.6	-63.5	-143.1	129.1	0	0	112.5	Q644 K648 V788 I789 G794	Q644-E792 WeakPolarHBondContact CG-O 3.4Å; K648-E792 HydrophobicContact CG-CB 4.39Å; K648-E792 HydrophobicContact CG-CG 4.37Å; K648-E792 IonicContact NZ-OE1 3.63Å; K648-E792 PolarHBondContact NZ-OE1 2.84Å; K648-E792 IonicContact NZ-OE2 3.3Å; K648-E792 PolarHBondContact NZ-OE2 2.8Å; V788-E792 HydrophobicContact CG1-CG 4.08Å; V788-E792 WeakPolarHBondContact O-CG 3.43Å; V788-E792 PolarHBondContact O-N 2.68Å; I789-E792 PolarHBondContact O-N 2.91Å; E792-G794 VanDerWaalsContact C-N 3.3Å; E792-G794 PolarHBondContact O-N 2.72Å
793	Y	87	Confident	90	Very high	27 Å²	27	23.5 Å²	23.5	11%	0.106	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	28.5	177.9	-61.8	-85.8	0	0	0	113	I789 Q791 K800 I803 S859 H862	I789-Y793 HydrophobicContact CG2-CE2 4.5Å; I789-Y793 VanDerWaalsContact O-CD2 3.27Å; I789-Y793 WeakPolarHBondContact O-CD2 3.3Å; Q791-Y793 PolarHBondContact O-N 3.37Å; Y793-K800 WeakPolarHBondContact O-CA 3.37Å; Y793-K800 WeakPolarHBondContact O-CG 3.32Å; Y793-I803 VanDerWaalsContact C-CD1 3.49Å; Y793-I803 HydrophobicContact CD1-CG2 4.22Å; Y793-S859 WeakPolarHBondContact OH-CA 3.35Å; Y793-H862 HydrophobicContact CD2-CB 4.31Å; Y793-H862 HydrophobicContact CE2-CB 4.28Å; Y793-H862 AromaticContact CE2-CD2 3.58Å; Y793-H862 AromaticContact CE2-CG 3.99Å; Y793-H862 HydrophobicContact CG-CB 4.48Å; Y793-H862 AromaticContact CZ-CD2 3.94Å
794	G	89.3	Confident	89.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.			trans	96.4	149.9	-176.5	0	0	0	0	0	112	Q791 E792 K800	Q791-G794 CarbonylContact O-C 3.51Å; Q791-G794 PolarHBondContact O-N 2.88Å; Q791-G794 VanDerWaalsContact O-N 3.16Å; E792-G794 VanDerWaalsContact C-N 3.3Å; E792-G794 PolarHBondContact O-N 2.72Å; G794-K800 WeakPolarHBondContact O-CE 3.4Å; G794-K800 WeakPolarHBondContact O-CG 3.49Å; G794-K800 PolarHBondContact O-NZ 3.06Å
795	L	88.9	Confident	89.1	Confident	8 Å²	8	25.3 Å²	25.3	4%	0.042	14%	0.135	C	C	.	.	S	Bend	trans	-94.7	-51.4	-177.3	-74.6	68.4	0	0	0	110.1	A647 L654 P671 C672 Q791 E799 K800	A647-L795 HydrophobicContact CB-CD1 3.74Å; L654-L795 HydrophobicContact CD1-CD2 4.44Å; P671-L795 WeakPolarHBondContact CG-O 3.28Å; C672-L795 PolarHBondContact SG-O 3.33Å; Q791-L795 HydrophobicContact CB-CD1 4.5Å; Q791-L795 HydrophobicContact CB-CG 4.36Å; L795-E799 PolarHBondContact N-OE2 3.37Å; L795-K800 WeakPolarHBondContact O-CE 3.33Å
796	T	89.6	Confident	88.5	Confident	44 Å²	44	26.4 Å²	26.4	27%	0.27	15%	0.147	S	C	.	.	S	Bend	trans	-79.3	157.4	-179.9	60.9	0	0	0	0	112.8	P671 Q798 E799 K800	P671-T796 HydrophobicContact CG-CG2 4.38Å; T796-Q798 PolarHBondContact O-N 2.94Å; T796-E799 PolarHBondContact N-OE2 3Å; T796-E799 PolarHBondContact O-N 2.91Å; T796-E799 WeakPolarHBondContact OG1-CB 3.05Å; T796-E799 WeakPolarHBondContact OG1-CG 3.49Å; T796-E799 PolarHBondContact OG1-N 2.88Å; T796-E799 PolarHBondContact OG1-OE2 3.43Å; T796-K800 WeakPolarHBondContact O-CB 3.46Å; T796-K800 VanDerWaalsContact O-CG 3.29Å; T796-K800 WeakPolarHBondContact O-CG 3.33Å; T796-K800 PolarHBondContact O-N 2.59Å
797	P	88.4	Confident	88.1	Confident	40 Å²	40	26 Å²	26	26%	0.26	14%	0.144	S	C	.	.	H	α-helix	trans	-54.8	-36	174.6	-26.2	34.8	0	0	0	113.7	L801 Y870	P797-L801 WeakPolarHBondContact O-CB 3.49Å; P797-L801 WeakPolarHBondContact O-CG 3.33Å; P797-L801 PolarHBondContact O-N 3.33Å; P797-Y870 HydrophobicContact CB-CD1 3.98Å; P797-Y870 HydrophobicContact CB-CE1 4.28Å; P797-Y870 HydrophobicContact CB-CG 4.46Å; P797-Y870 HydrophobicContact CG-CE1 4.43Å
798	Q	87.8	Confident	87.7	Confident	137 Å²	137	26 Å²	26	64%	0.64	14%	0.144	S	C	*	.	H	α-helix	trans	-70.4	-45.9	-179.6	-66.2	79.5	-2.7	0	0	111.8	T796 L801 A802	T796-Q798 PolarHBondContact O-N 2.94Å; Q798-L801 PolarHBondContact O-N 3.12Å; Q798-A802 PolarHBondContact O-N 2.68Å
799	E	88.6	Confident	87.2	Confident	33 Å²	33	28.2 Å²	28.2	15%	0.154	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-42	175.1	-70	163.1	149.2	0	0	111.5	R650 L795 T796 L801 A802 I803	R650-E799 IonicContact CZ-OE1 3.99Å; R650-E799 IonicContact NH1-OE1 2.69Å; R650-E799 PolarHBondContact NH1-OE1 3.23Å; R650-E799 IonicContact NH2-OE1 2.64Å; L795-E799 PolarHBondContact N-OE2 3.37Å; T796-E799 PolarHBondContact N-OE2 3Å; T796-E799 PolarHBondContact O-N 2.91Å; T796-E799 WeakPolarHBondContact OG1-CB 3.05Å; T796-E799 WeakPolarHBondContact OG1-CG 3.49Å; T796-E799 PolarHBondContact OG1-N 2.88Å; T796-E799 PolarHBondContact OG1-OE2 3.43Å; E799-L801 VanDerWaalsContact C-N 3.34Å; E799-L801 PolarHBondContact O-N 2.82Å; E799-A802 PolarHBondContact O-N 2.72Å; E799-I803 WeakPolarHBondContact O-CB 3.43Å; E799-I803 WeakPolarHBondContact O-CG1 3.41Å; E799-I803 PolarHBondContact O-N 3.49Å
800	K	89.5	Confident	86.9	Confident	13 Å²	13	28 Å²	28	6%	0.057	16%	0.16	C	C	.	.	H	α-helix	trans	-58.5	-44.8	174.5	-75.8	-175.6	-178	-56.8	0	111.6	P790 Q791 Y793 G794 L795 T796 G804 T866 Y870	P790-K800 PolarHBondContact O-NZ 2.77Å; Q791-K800 VanDerWaalsContact OE1-CE 3.27Å; Y793-K800 WeakPolarHBondContact O-CA 3.37Å; Y793-K800 WeakPolarHBondContact O-CG 3.32Å; G794-K800 WeakPolarHBondContact O-CE 3.4Å; G794-K800 WeakPolarHBondContact O-CG 3.49Å; G794-K800 PolarHBondContact O-NZ 3.06Å; L795-K800 WeakPolarHBondContact O-CE 3.33Å; T796-K800 WeakPolarHBondContact O-CB 3.46Å; T796-K800 VanDerWaalsContact O-CG 3.29Å; T796-K800 WeakPolarHBondContact O-CG 3.33Å; T796-K800 PolarHBondContact O-N 2.59Å; K800-G804 PolarHBondContact O-N 3.01Å; K800-T866 HydrophobicContact CB-CG2 3.68Å; K800-T866 VanDerWaalsContact O-CG2 3.23Å; K800-T866 WeakPolarHBondContact O-CG2 3.24Å; K800-Y870 HydrophobicContact CB-CE2 4.47Å; K800-Y870 HydrophobicContact CD-CE2 3.86Å
801	L	87.4	Confident	86.7	Confident	24 Å²	24	26.7 Å²	26.7	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-62	-48.5	174.4	-82.6	169.9	0	0	0	112.4	P797 Q798 E799 I803 G804 Q805	P797-L801 WeakPolarHBondContact O-CB 3.49Å; P797-L801 WeakPolarHBondContact O-CG 3.33Å; P797-L801 PolarHBondContact O-N 3.33Å; Q798-L801 PolarHBondContact O-N 3.12Å; E799-L801 VanDerWaalsContact C-N 3.34Å; E799-L801 PolarHBondContact O-N 2.82Å; L801-I803 PolarHBondContact O-N 3.46Å; L801-G804 PolarHBondContact O-N 2.8Å; L801-Q805 VanDerWaalsContact O-CB 3.31Å; L801-Q805 WeakPolarHBondContact O-CB 3.48Å; L801-Q805 VanDerWaalsContact O-CG 3.26Å; L801-Q805 WeakPolarHBondContact O-CG 3.11Å; L801-Q805 PolarHBondContact O-N 2.89Å
802	A	86.3	Confident	86.3	Confident	36 Å²	36	28.5 Å²	28.5	30%	0.298	16%	0.161	S	C	.	.	H	α-helix	trans	-60.8	-44.3	-179.1	0	0	0	0	0	112.3	Q798 E799 G806	Q798-A802 PolarHBondContact O-N 2.68Å; E799-A802 PolarHBondContact O-N 2.72Å; A802-G806 PolarHBondContact O-N 3.42Å
803	I	86.4	Confident	86.1	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-44.6	176	-67.9	164.7	0	0	0	110.6	Q644 Y793 E799 L801 G806 I807	Q644-I803 HydrophobicContact CB-CD1 4.44Å; Y793-I803 VanDerWaalsContact C-CD1 3.49Å; Y793-I803 HydrophobicContact CD1-CG2 4.22Å; E799-I803 WeakPolarHBondContact O-CB 3.43Å; E799-I803 WeakPolarHBondContact O-CG1 3.41Å; E799-I803 PolarHBondContact O-N 3.49Å; L801-I803 PolarHBondContact O-N 3.46Å; I803-G806 PolarHBondContact O-N 3.12Å; I803-I807 HydrophobicContact CG2-CD1 4.05Å; I803-I807 PolarHBondContact O-N 2.69Å; I803-I807 VanDerWaalsContact O-N 3.17Å
804	G	86.9	Confident	85.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-41.1	179.9	0	0	0	0	0	113.6	K800 L801 I807 C808	K800-G804 PolarHBondContact O-N 3.01Å; L801-G804 PolarHBondContact O-N 2.8Å; G804-I807 PolarHBondContact O-N 3.04Å; G804-C808 WeakPolarHBondContact O-CB 3.23Å; G804-C808 PolarHBondContact O-N 3.08Å
805	Q	83.7	Confident	85.7	Confident	65 Å²	65	36.3 Å²	36.3	30%	0.304	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-44.6	172.7	-74.4	171.5	-18.8	0	0	111.1	L801 I807 S809 V867	L801-Q805 VanDerWaalsContact O-CB 3.31Å; L801-Q805 WeakPolarHBondContact O-CB 3.48Å; L801-Q805 VanDerWaalsContact O-CG 3.26Å; L801-Q805 WeakPolarHBondContact O-CG 3.11Å; L801-Q805 PolarHBondContact O-N 2.89Å; Q805-I807 PolarHBondContact O-N 3.29Å; Q805-S809 VanDerWaalsContact O-CB 3.24Å; Q805-S809 WeakPolarHBondContact O-CB 3.07Å; Q805-S809 PolarHBondContact O-N 2.73Å; Q805-S809 PolarHBondContact O-OG 3.4Å; Q805-V867 HydrophobicContact CG-CG2 4.35Å
806	G	82.1	Confident	85.4	Confident	26 Å²	26	37.7 Å²	37.7	27%	0.268	20%	0.197	S	C	.	.	H	α-helix	trans	-65.2	-15.7	178.6	0	0	0	0	0	115	A802 I803	A802-G806 PolarHBondContact O-N 3.42Å; I803-G806 PolarHBondContact O-N 3.12Å
807	I	83.4	Confident	84.8	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-104.5	-40.2	175.6	-67	169	0	0	0	111.6	I803 G804 Q805 S863	I803-I807 HydrophobicContact CG2-CD1 4.05Å; I803-I807 PolarHBondContact O-N 2.69Å; I803-I807 VanDerWaalsContact O-N 3.17Å; G804-I807 PolarHBondContact O-N 3.04Å; Q805-I807 PolarHBondContact O-N 3.29Å; I807-S863 WeakPolarHBondContact CD1-OG 3.38Å
808	C	84.8	Confident	84.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-103.2	-2.5	-170.8	-79.5	0	0	0	0	116.1	G804 L811 L812 H860 S863 L864	G804-C808 WeakPolarHBondContact O-CB 3.23Å; G804-C808 PolarHBondContact O-N 3.08Å; C808-L811 PolarHBondContact O-N 2.83Å; C808-L812 HydrophobicContact CB-CD1 4.08Å; C808-L812 HydrophobicContact CB-CG 4.33Å; C808-L812 WeakPolarHBondContact O-CB 3.42Å; C808-L812 WeakPolarHBondContact O-CG 3.43Å; C808-L812 PolarHBondContact O-N 2.85Å; C808-H860 PolarHBondContact SG-O 3.19Å; C808-H860 VanDerWaalsContact SG-O 3.35Å; C808-S863 WeakPolarHBondContact SG-CB 3.33Å; C808-L864 PolarHBondContact SG-N 2.69Å
809	S	82.6	Confident	83.7	Confident	48 Å²	48	28.8 Å²	28.8	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-55.9	-42.1	179.8	-71.4	0	0	0	0	115.1	Q805 R813	Q805-S809 VanDerWaalsContact O-CB 3.24Å; Q805-S809 WeakPolarHBondContact O-CB 3.07Å; Q805-S809 PolarHBondContact O-N 2.73Å; Q805-S809 PolarHBondContact O-OG 3.4Å; S809-R813 WeakPolarHBondContact O-CB 3.42Å; S809-R813 PolarHBondContact O-N 3.36Å
810	P	83.5	Confident	82.8	Confident	24 Å²	24	30.2 Å²	30.2	16%	0.156	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-46.4	174.4	-23.6	35.2	0	0	0	112.3	G632 L633 R813 K814	G632-P810 WeakPolarHBondContact O-CB 3.2Å; L633-P810 HydrophobicContact CD1-CB 4.17Å; L633-P810 WeakPolarHBondContact CD1-O 3.15Å; P810-R813 PolarHBondContact O-N 2.7Å; P810-K814 WeakPolarHBondContact O-CB 3.31Å; P810-K814 PolarHBondContact O-N 3.14Å
811	L	85.1	Confident	81.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-45.8	179.4	179.7	57.7	0	0	0	111.9	V409 L634 C808 R813 K814 I815 Y854	V409-L811 HydrophobicContact CG1-CD2 4.23Å; V409-L811 HydrophobicContact CG2-CD2 4.3Å; L634-L811 HydrophobicContact CD2-CD1 4Å; L634-L811 HydrophobicContact CD2-CD2 4.13Å; C808-L811 PolarHBondContact O-N 2.83Å; L811-R813 PolarHBondContact O-N 3.23Å; L811-K814 PolarHBondContact O-N 3.43Å; L811-I815 HydrophobicContact CD1-CD1 3.93Å; L811-I815 HydrophobicContact CD1-CG1 4.11Å; L811-I815 HydrophobicContact CG-CD1 3.86Å; L811-I815 HydrophobicContact CG-CG1 4.43Å; L811-I815 VanDerWaalsContact O-CG1 3.29Å; L811-I815 WeakPolarHBondContact O-CG1 3.26Å; L811-I815 PolarHBondContact O-N 2.83Å; L811-Y854 HydrophobicContact CD1-CD1 3.69Å; L811-Y854 HydrophobicContact CD1-CD2 4.26Å; L811-Y854 HydrophobicContact CD1-CE1 3.99Å; L811-Y854 HydrophobicContact CD1-CG 3.85Å
812	L	83.8	Confident	80.7	Confident	37 Å²	37	33.6 Å²	33.6	19%	0.194	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-44.6	177.4	-74.9	164.9	0	0	0	111.8	C808 K814 I815 K816 L864 V867	C808-L812 HydrophobicContact CB-CD1 4.08Å; C808-L812 HydrophobicContact CB-CG 4.33Å; C808-L812 WeakPolarHBondContact O-CB 3.42Å; C808-L812 WeakPolarHBondContact O-CG 3.43Å; C808-L812 PolarHBondContact O-N 2.85Å; L812-K814 VanDerWaalsContact C-N 3.31Å; L812-K814 PolarHBondContact O-N 3.16Å; L812-I815 PolarHBondContact O-N 3.42Å; L812-K816 WeakPolarHBondContact O-CB 3.34Å; L812-K816 PolarHBondContact O-N 3.5Å; L812-L864 HydrophobicContact CD2-CD1 3.58Å; L812-L864 HydrophobicContact CG-CD1 4.29Å; L812-V867 HydrophobicContact CD1-CB 4.31Å; L812-V867 HydrophobicContact CD1-CG1 3.82Å; L812-V867 HydrophobicContact CD1-CG2 4.38Å
813	R	82.4	Confident	79.6	Confident	173 Å²	173	34.3 Å²	34.3	65%	0.653	17%	0.17	S	C	*	.	H	α-helix	trans	-60.1	-41.8	175.1	-168.6	-174.7	-60.8	116.4	-0.6	111.3	S809 P810 L811 G817	S809-R813 WeakPolarHBondContact O-CB 3.42Å; S809-R813 PolarHBondContact O-N 3.36Å; P810-R813 PolarHBondContact O-N 2.7Å; L811-R813 PolarHBondContact O-N 3.23Å; R813-G817 PolarHBondContact O-N 2.96Å
814	K	84.3	Confident	78.1	Confident	45 Å²	45	38.5 Å²	38.5	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-44.8	176.6	178.5	71.3	-163.1	-49.5	0	112.5	Y592 L633 P810 L811 L812 G817 D818 Y854	Y592-K814 PolarHBondContact OH-NZ 2.61Å; L633-K814 HydrophobicContact CD1-CB 3.73Å; L633-K814 HydrophobicContact CD1-CG 4.19Å; L633-K814 HydrophobicContact CD2-CG 4.27Å; P810-K814 WeakPolarHBondContact O-CB 3.31Å; P810-K814 PolarHBondContact O-N 3.14Å; L811-K814 PolarHBondContact O-N 3.43Å; L812-K814 VanDerWaalsContact C-N 3.31Å; L812-K814 PolarHBondContact O-N 3.16Å; K814-G817 PolarHBondContact O-N 3.2Å; K814-D818 WeakPolarHBondContact CE-OD2 3.34Å; K814-D818 IonicContact NZ-OD2 3.76Å; K814-D818 PolarHBondContact NZ-OD2 2.9Å; K814-D818 PolarHBondContact O-N 3.3Å; K814-Y854 HydrophobicContact CG-CE1 4.29Å; K814-Y854 WeakPolarHBondContact CG-OH 3.32Å; K814-Y854 PolarHBondContact NZ-OH 2.67Å
815	I	84.7	Confident	76.3	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-47.2	177.1	-71.1	173.1	0	0	0	110	V407 V409 L811 L812 G817 D818 L819 Y854 I903	V407-I815 HydrophobicContact CG1-CD1 4.31Å; V407-I815 HydrophobicContact CG1-CG1 4.02Å; V407-I815 HydrophobicContact CG1-CG2 4.29Å; V409-I815 HydrophobicContact CG2-CD1 4.02Å; L811-I815 HydrophobicContact CD1-CD1 3.93Å; L811-I815 HydrophobicContact CD1-CG1 4.11Å; L811-I815 HydrophobicContact CG-CD1 3.86Å; L811-I815 HydrophobicContact CG-CG1 4.43Å; L811-I815 VanDerWaalsContact O-CG1 3.29Å; L811-I815 WeakPolarHBondContact O-CG1 3.26Å; L811-I815 PolarHBondContact O-N 2.83Å; L812-I815 PolarHBondContact O-N 3.42Å; I815-G817 PolarHBondContact O-N 3.17Å; I815-D818 PolarHBondContact O-N 3.02Å; I815-L819 HydrophobicContact CG2-CD1 4.06Å; I815-L819 WeakPolarHBondContact O-CG 3.35Å; I815-L819 PolarHBondContact O-N 3.02Å; I815-Y854 HydrophobicContact CG1-CE2 4.22Å; I815-I903 HydrophobicContact CG2-CD1 3.9Å
816	K	81.1	Confident	74.5	Confident	37 Å²	37	44.2 Å²	44.2	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-48.3	174.5	171	161.2	174.9	173	0	111.6	L812 D818 L819 Q820 F1133 T1136	L812-K816 WeakPolarHBondContact O-CB 3.34Å; L812-K816 PolarHBondContact O-N 3.5Å; K816-D818 VanDerWaalsContact C-N 3.35Å; K816-D818 PolarHBondContact O-N 2.83Å; K816-L819 PolarHBondContact O-N 3.12Å; K816-L819 VanDerWaalsContact O-N 3.15Å; K816-Q820 VanDerWaalsContact CE-OE1 3.27Å; K816-Q820 HydrophobicContact CG-CG 4.32Å; K816-Q820 WeakPolarHBondContact O-CG 3.48Å; K816-Q820 PolarHBondContact O-N 3.2Å; K816-F1133 PolarHBondContact NZ-O 3.02Å; K816-T1136 WeakPolarHBondContact CD-OG1 3.08Å; K816-T1136 PolarHBondContact NZ-OG1 3.25Å
817	G	77.4	Confident	72.6	Confident	17 Å²	17	51 Å²	51	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-31.4	176.3	0	0	0	0	0	114.8	R813 K814 I815 R821	R813-G817 PolarHBondContact O-N 2.96Å; K814-G817 PolarHBondContact O-N 3.2Å; I815-G817 PolarHBondContact O-N 3.17Å; G817-R821 WeakPolarHBondContact O-CG 3.29Å; G817-R821 PolarHBondContact O-N 2.54Å; G817-R821 PolarHBondContact O-NE 2.81Å; G817-R821 PolarHBondContact O-NH1 3.21Å; G817-R821 PolarHBondContact O-NH2 2.99Å
818	D	76.5	Confident	70.8	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.011	28%	0.281	C	S	.	.	H	α-helix	trans	-73.1	-25.9	173.1	-87.6	-34.7	0	0	0	113.2	K814 I815 K816 R821 N822 R852 Y854	K814-D818 WeakPolarHBondContact CE-OD2 3.34Å; K814-D818 IonicContact NZ-OD2 3.76Å; K814-D818 PolarHBondContact NZ-OD2 2.9Å; K814-D818 PolarHBondContact O-N 3.3Å; I815-D818 PolarHBondContact O-N 3.02Å; K816-D818 VanDerWaalsContact C-N 3.35Å; K816-D818 PolarHBondContact O-N 2.83Å; D818-R821 IonicContact OD1-CZ 3.76Å; D818-R821 IonicContact OD1-NE 2.61Å; D818-R821 IonicContact OD1-NH2 2.79Å; D818-R821 PolarHBondContact OD1-NH2 2.93Å; D818-N822 PolarHBondContact O-ND2 3.04Å; D818-R852 HydrophobicContact CB-CG 3.98Å; D818-R852 VanDerWaalsContact CG-NE 3.33Å; D818-R852 IonicContact OD1-CZ 2.68Å; D818-R852 IonicContact OD1-NE 3.89Å; D818-R852 PolarHBondContact OD1-NE 2.98Å; D818-R852 IonicContact OD1-NH2 2.98Å; D818-R852 WeakPolarHBondContact OD2-CD 3.27Å; D818-R852 IonicContact OD2-NE 2.79Å; D818-Y854 PolarHBondContact OD2-OH 3.11Å
819	L	76.4	Confident	69.1	Low	14 Å²	14	59.2 Å²	59.2	7%	0.073	29%	0.291	C	S	.	.	H	α-helix	trans	-81	-44.7	173.3	-68.9	172	0	0	0	112	C405 V407 I815 K816 R821 N822 I903 L905 L1132	C405-L819 HydrophobicContact CB-CD2 4.3Å; V407-L819 HydrophobicContact CG2-CD2 4.05Å; V407-L819 HydrophobicContact CG2-CG 4.42Å; I815-L819 HydrophobicContact CG2-CD1 4.06Å; I815-L819 WeakPolarHBondContact O-CG 3.35Å; I815-L819 PolarHBondContact O-N 3.02Å; K816-L819 PolarHBondContact O-N 3.12Å; K816-L819 VanDerWaalsContact O-N 3.15Å; L819-R821 PolarHBondContact O-N 3.42Å; L819-N822 WeakPolarHBondContact CA-ND2 3.34Å; L819-N822 PolarHBondContact O-N 3.37Å; L819-N822 PolarHBondContact O-ND2 2.92Å; L819-I903 HydrophobicContact CD1-CG2 4.5Å; L819-L905 HydrophobicContact CD2-CB 4.17Å; L819-L905 HydrophobicContact CD2-CD2 4.26Å; L819-L1132 HydrophobicContact CD1-CD1 3.98Å; L819-L1132 HydrophobicContact CD1-CD2 4.44Å
820	Q	71.6	Confident	67.3	Low	64 Å²	64	62.1 Å²	62.1	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-40.2	-179.5	-72.6	-177.8	-88.1	0	0	112.9	K816 N822 I823 D824 F1133	K816-Q820 VanDerWaalsContact CE-OE1 3.27Å; K816-Q820 HydrophobicContact CG-CG 4.32Å; K816-Q820 WeakPolarHBondContact O-CG 3.48Å; K816-Q820 PolarHBondContact O-N 3.2Å; Q820-N822 PolarHBondContact O-N 3.34Å; Q820-I823 WeakPolarHBondContact O-CB 3.25Å; Q820-I823 PolarHBondContact O-N 3.33Å; Q820-D824 PolarHBondContact O-N 3.14Å; Q820-F1133 HydrophobicContact CG-CE1 3.86Å; Q820-F1133 HydrophobicContact CG-CZ 3.95Å
821	R	69	Low	65.7	Low	97 Å²	97	65.8 Å²	65.8	37%	0.366	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-9.1	175.1	-83	-173.4	-71.4	-89.7	0.5	115.6	G817 D818 L819 R850	G817-R821 WeakPolarHBondContact O-CG 3.29Å; G817-R821 PolarHBondContact O-N 2.54Å; G817-R821 PolarHBondContact O-NE 2.81Å; G817-R821 PolarHBondContact O-NH1 3.21Å; G817-R821 PolarHBondContact O-NH2 2.99Å; D818-R821 IonicContact OD1-CZ 3.76Å; D818-R821 IonicContact OD1-NE 2.61Å; D818-R821 IonicContact OD1-NH2 2.79Å; D818-R821 PolarHBondContact OD1-NH2 2.93Å; L819-R821 PolarHBondContact O-N 3.42Å; R821-R850 PolarHBondContact O-NH1 3.11Å
822	N	62.8	Low	63.9	Low	10 Å²	10	66.5 Å²	66.5	5%	0.053	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.8	173.4	-49.5	-72.4	0	0	0	112.9	R404 D818 L819 Q820 R850 L905	R404-N822 PolarHBondContact NH2-O 3.19Å; D818-N822 PolarHBondContact O-ND2 3.04Å; L819-N822 WeakPolarHBondContact CA-ND2 3.34Å; L819-N822 PolarHBondContact O-N 3.37Å; L819-N822 PolarHBondContact O-ND2 2.92Å; Q820-N822 PolarHBondContact O-N 3.34Å; N822-R850 VanDerWaalsContact OD1-CD 3.29Å; N822-R850 WeakPolarHBondContact OD1-CD 3.3Å; N822-R850 WeakPolarHBondContact OD1-CG 3.42Å; N822-R850 PolarHBondContact OD1-NH1 3.48Å; N822-L905 HydrophobicContact CB-CD2 4.07Å
823	I	62.1	Low	62.4	Low	52 Å²	52	66.4 Å²	66.4	27%	0.267	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-40.7	-178.6	-47.3	-175	0	0	0	110.1	Q820 E825 F919 F1133	Q820-I823 WeakPolarHBondContact O-CB 3.25Å; Q820-I823 PolarHBondContact O-N 3.33Å; I823-E825 PolarHBondContact O-N 2.96Å; I823-F919 HydrophobicContact CB-CZ 4.43Å; I823-F919 HydrophobicContact CD1-CD2 4.45Å; I823-F919 HydrophobicContact CD1-CE1 4.42Å; I823-F919 HydrophobicContact CD1-CE2 3.94Å; I823-F919 HydrophobicContact CD1-CZ 3.93Å; I823-F919 HydrophobicContact CG1-CE1 4.17Å; I823-F919 HydrophobicContact CG1-CE2 4.27Å; I823-F919 HydrophobicContact CG1-CZ 3.76Å; I823-F919 HydrophobicContact CG2-CE2 4.31Å; I823-F919 HydrophobicContact CG2-CZ 4.1Å; I823-F1133 HydrophobicContact CD1-CE2 4.29Å; I823-F1133 HydrophobicContact CD1-CZ 3.78Å
824	D	55.6	Low	60.5	Low	88 Å²	88	59.6 Å²	59.6	47%	0.471	29%	0.291	S	S	.	.	S	Bend	trans	-71.3	106.6	178.2	-52.5	-45.9	0	0	0	110.7	Q820 V826	Q820-D824 PolarHBondContact O-N 3.14Å; D824-V826 VanDerWaalsContact C-N 3.27Å; D824-V826 HydrophobicContact CB-CG2 4.32Å; D824-V826 PolarHBondContact O-N 3.47Å
825	E	49.9	Very low	58.5	Low	114 Å²	114	59.5 Å²	59.5	53%	0.533	29%	0.293	S	S	.	.			trans	-77.2	72.9	175.5	-69.7	-153.1	-126.1	0	0	112.1	I823 R833 Q846	I823-E825 PolarHBondContact O-N 2.96Å; E825-R833 IonicContact OE2-CZ 3.41Å; E825-R833 IonicContact OE2-NH1 2.71Å; E825-R833 PolarHBondContact OE2-NH1 3.2Å; E825-R833 IonicContact OE2-NH2 2.76Å; E825-R833 PolarHBondContact OE2-NH2 2.9Å; E825-Q846 PolarHBondContact OE2-OE1 2.82Å
826	V	46.1	Very low	56.4	Low	72 Å²	72	63.2 Å²	63.2	44%	0.436	32%	0.317	S	S	.	.			trans	-71	131.2	173.8	-172.5	0	0	0	0	110.1	D824 D828 E829	D824-V826 VanDerWaalsContact C-N 3.27Å; D824-V826 HydrophobicContact CB-CG2 4.32Å; D824-V826 PolarHBondContact O-N 3.47Å; V826-D828 VanDerWaalsContact C-N 3.25Å; V826-D828 HydrophobicContact CG1-CB 4.49Å; V826-D828 PolarHBondContact O-N 2.88Å; V826-E829 PolarHBondContact O-N 3.37Å
827	E	42.6	Very low	54.6	Low	168 Å²	168	68.6 Å²	68.6	79%	0.785	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-61.4	-28	-171.9	-61.7	-175.7	130.7	0	0	113.9	E829 F830	E827-E829 PolarHBondContact O-N 3.25Å; E827-F830 WeakPolarHBondContact O-CD2 3.45Å; E827-F830 PolarHBondContact O-N 3.2Å
828	D	44.2	Very low	52.8	Low	133 Å²	133	74.9 Å²	74.9	71%	0.711	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.8	172.7	-71.4	-43.1	0	0	0	113.4	V826 F830	V826-D828 VanDerWaalsContact C-N 3.25Å; V826-D828 HydrophobicContact CG1-CB 4.49Å; V826-D828 PolarHBondContact O-N 2.88Å; D828-F830 PolarHBondContact O-N 3.16Å
829	E	49.1	Very low	51.2	Low	44 Å²	44	75.1 Å²	75.1	21%	0.206	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-92.1	11.4	-174.3	-61.7	-157.2	122.5	0	0	114.5	V826 E827 M831 R850	V826-E829 PolarHBondContact O-N 3.37Å; E827-E829 PolarHBondContact O-N 3.25Å; E829-M831 PolarHBondContact O-N 3.17Å; E829-R850 IonicContact OE1-CZ 3.65Å; E829-R850 IonicContact OE1-NH2 2.7Å; E829-R850 PolarHBondContact OE1-NH2 3.26Å; E829-R850 IonicContact OE2-CZ 3.39Å; E829-R850 IonicContact OE2-NH2 3.72Å; E829-R850 PolarHBondContact OE2-NH2 3.13Å
830	F	45.8	Very low	49.3	Very low	110 Å²	110	82.6 Å²	82.6	48%	0.482	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-59.4	-12	165.6	-90.5	-96.3	0	0	0	113.6	E827 D828 R833	E827-F830 WeakPolarHBondContact O-CD2 3.45Å; E827-F830 PolarHBondContact O-N 3.2Å; D828-F830 PolarHBondContact O-N 3.16Å; F830-R833 WeakPolarHBondContact O-CB 3.41Å; F830-R833 PolarHBondContact O-N 3.28Å
831	M	48.8	Very low	47.7	Very low	101 Å²	101	83.6 Å²	83.6	50%	0.498	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-91.7	-6.1	-165.8	-66.6	-155.9	121.7	0	0	116	H311 L315 E829	H311-M831 WeakPolarHBondContact CE1-CB 3.29Å; H311-M831 WeakPolarHBondContact NE2-CB 3.36Å; L315-M831 HydrophobicContact CD1-CB 4.19Å; L315-M831 HydrophobicContact CD1-CE 4.25Å; L315-M831 HydrophobicContact CD1-CG 4.43Å; L315-M831 HydrophobicContact CD1-SD 3.4Å; L315-M831 WeakPolarHBondContact CD1-SD 3.23Å; L315-M831 HydrophobicContact CD2-CB 4.04Å; L315-M831 HydrophobicContact CD2-CE 3.65Å; L315-M831 HydrophobicContact CD2-CG 4.27Å; L315-M831 HydrophobicContact CD2-SD 3.74Å; L315-M831 HydrophobicContact CG-CB 4.5Å; L315-M831 HydrophobicContact CG-SD 4.19Å; E829-M831 PolarHBondContact O-N 3.17Å
832	N	48.9	Very low	46.3	Very low	15 Å²	15	79.7 Å²	79.7	8%	0.08	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-104	5.2	163.2	-56.6	-71.3	0	0	0	112.2	H311 H848	H311-N832 PolarHBondContact CE1-ND2 3.09Å; H311-N832 PolarHBondContact CE1-OD1 3.18Å; H311-N832 PolarHBondContact ND1-ND2 2.89Å; H311-N832 PolarHBondContact ND1-OD1 3.41Å; N832-H848 HydrophobicContact CB-CB 3.96Å
833	R	51	Low	45.1	Very low	34 Å²	34	82.8 Å²	82.8	13%	0.128	44%	0.44	C	S	.	.	S	Bend	trans	-87	159.8	176.1	-53.3	-176	-175	-158.6	-12	109.6	E825 F830 Q846	E825-R833 IonicContact OE2-CZ 3.41Å; E825-R833 IonicContact OE2-NH1 2.71Å; E825-R833 PolarHBondContact OE2-NH1 3.2Å; E825-R833 IonicContact OE2-NH2 2.76Å; E825-R833 PolarHBondContact OE2-NH2 2.9Å; F830-R833 WeakPolarHBondContact O-CB 3.41Å; F830-R833 PolarHBondContact O-N 3.28Å; R833-Q846 HydrophobicContact CG-CB 4.31Å
834	L	43.1	Very low	44.4	Very low	30 Å²	30	81 Å²	81	16%	0.157	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-76.9	152	173	-64.9	135.6	0	0	0	110.2	P836 V842 P845	L834-P836 WeakPolarHBondContact O-CD 3.38Å; L834-V842 HydrophobicContact CD1-CG1 4.47Å; L834-P845 WeakPolarHBondContact CB-O 3.41Å; L834-P845 PolarHBondContact N-O 3Å
835	N	42.5	Very low	43.9	Very low	44 Å²	44	78.8 Å²	78.8	24%	0.235	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-62	122.9	172.2	-177.7	-4.6	0	0	0	110	H837 Y838 S839	N835-H837 PolarHBondContact O-N 3.34Å; N835-H837 VanDerWaalsContact O-N 3.15Å; N835-H837 PolarHBondContact OD1-N 3.02Å; N835-H837 VanDerWaalsContact OD1-N 3.12Å; N835-Y838 HydrophobicContact CB-CD2 3.92Å; N835-Y838 WeakPolarHBondContact ND2-CE2 3.4Å; N835-Y838 PolarHBondContact O-N 3.32Å; N835-S839 PolarHBondContact O-N 3.39Å; N835-S839 PolarHBondContact O-OG 3.28Å
836	P	40.8	Very low	43.9	Very low	82 Å²	82	77.8 Å²	77.8	53%	0.532	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-49.3	-39.2	176.2	-31.3	37.9	0	0	0	113.9	L834 Y838 S839	L834-P836 WeakPolarHBondContact O-CD 3.38Å; P836-Y838 PolarHBondContact O-N 3.02Å; P836-S839 VanDerWaalsContact CA-OG 3.23Å; P836-S839 WeakPolarHBondContact CA-OG 3.39Å; P836-S839 PolarHBondContact O-N 3.18Å; P836-S839 PolarHBondContact O-OG 3.22Å
837	H	41.5	Very low	44.5	Very low	150 Å²	150	74.5 Å²	74.5	69%	0.694	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-63.1	-25.1	-179	-79.3	54.2	0	0	0	114.1	N835	N835-H837 PolarHBondContact O-N 3.34Å; N835-H837 VanDerWaalsContact O-N 3.15Å; N835-H837 PolarHBondContact OD1-N 3.02Å; N835-H837 VanDerWaalsContact OD1-N 3.12Å
838	Y	40.4	Very low	45.5	Very low	148 Å²	148	67 Å²	67	58%	0.58	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-107	9.3	-179.5	-55.9	-46.6	0	0	0	113.5	N835 P836	N835-Y838 HydrophobicContact CB-CD2 3.92Å; N835-Y838 WeakPolarHBondContact ND2-CE2 3.4Å; N835-Y838 PolarHBondContact O-N 3.32Å; P836-Y838 PolarHBondContact O-N 3.02Å
839	S	43.5	Very low	46.9	Very low	7 Å²	7	60.7 Å²	60.7	5%	0.049	33%	0.328	C	S	.	.			trans	-123.9	13.4	-174.7	47.3	0	0	0	0	113.9	N835 P836 G841 V842	N835-S839 PolarHBondContact O-N 3.39Å; N835-S839 PolarHBondContact O-OG 3.28Å; P836-S839 VanDerWaalsContact CA-OG 3.23Å; P836-S839 WeakPolarHBondContact CA-OG 3.39Å; P836-S839 PolarHBondContact O-N 3.18Å; P836-S839 PolarHBondContact O-OG 3.22Å; S839-G841 PolarHBondContact O-N 3.16Å; S839-V842 WeakPolarHBondContact O-CB 3.43Å; S839-V842 PolarHBondContact O-N 3.44Å
840	H	35.9	Very low	48.4	Very low	172 Å²	172	58.6 Å²	58.6	80%	0.796	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	106.1	159	-65.4	-72.3	0	0	0	109.4
841	G	37.8	Very low	50.3	Low	85 Å²	85	53.4 Å²	53.4	88%	0.876	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.4	0.4	-172	0	0	0	0	0	115.3	S839	S839-G841 PolarHBondContact O-N 3.16Å
842	V	40.8	Very low	52.1	Low	14 Å²	14	48.7 Å²	48.7	9%	0.085	27%	0.272	C	S	.	.			trans	-92.1	133.4	167.5	172.2	0	0	0	0	108.8	Q386 D389 L834 S839 S844 P845	Q386-V842 VanDerWaalsContact CD-CG2 3.48Å; Q386-V842 HydrophobicContact CG-CG2 4.46Å; Q386-V842 VanDerWaalsContact NE2-CG2 3.28Å; D389-V842 WeakPolarHBondContact OD1-CG1 3.21Å; L834-V842 HydrophobicContact CD1-CG1 4.47Å; S839-V842 WeakPolarHBondContact O-CB 3.43Å; S839-V842 PolarHBondContact O-N 3.44Å; V842-S844 VanDerWaalsContact C-N 3.31Å; V842-S844 PolarHBondContact O-N 3.34Å; V842-P845 HydrophobicContact CB-CG 4.33Å; V842-P845 HydrophobicContact CG1-CG 4.36Å
843	A	37.5	Very low	54.1	Low	76 Å²	76	48 Å²	48	63%	0.628	27%	0.269	S	S	*	.	S	Bend	trans	-66.7	-32.3	-177.5	0	0	0	0	0	113
844	S	47.1	Very low	56	Low	14 Å²	14	46.4 Å²	46.4	10%	0.098	26%	0.263	C	S	.	.			trans	-141.9	80.3	-178.1	39.3	0	0	0	0	111.9	E402 V842 Q846 R847	E402-S844 WeakPolarHBondContact OE1-CB 3.43Å; E402-S844 PolarHBondContact OE1-OG 2.74Å; V842-S844 VanDerWaalsContact C-N 3.31Å; V842-S844 PolarHBondContact O-N 3.34Å; S844-Q846 PolarHBondContact O-N 3.4Å; S844-R847 WeakPolarHBondContact O-CB 3.14Å; S844-R847 WeakPolarHBondContact OG-CD 3.43Å; S844-R847 PolarHBondContact OG-NH1 3.19Å; S844-R847 VanDerWaalsContact OG-NH1 3.17Å
845	P	44	Very low	58.4	Low	41 Å²	41	45 Å²	45	27%	0.266	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.8	-176.7	-28.4	37.3	0	0	0	115.4	L834 V842 R847	L834-P845 WeakPolarHBondContact CB-O 3.41Å; L834-P845 PolarHBondContact N-O 3Å; V842-P845 HydrophobicContact CB-CG 4.33Å; V842-P845 HydrophobicContact CG1-CG 4.36Å; P845-R847 PolarHBondContact O-N 3.5Å
846	Q	49.9	Very low	60.7	Low	94 Å²	94	42.9 Å²	42.9	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	24.5	-171.1	-61.5	-171.9	-5.5	0	0	114.1	E825 R833 S844	E825-Q846 PolarHBondContact OE2-OE1 2.82Å; R833-Q846 HydrophobicContact CG-CB 4.31Å; S844-Q846 PolarHBondContact O-N 3.4Å
847	R	59.1	Low	62.9	Low	3 Å²	3	39.7 Å²	39.7	1%	0.011	22%	0.223	C	C	.	.			trans	-109.1	111.1	-154.9	-172.3	169.9	178.8	-152.4	-1.7	115.2	P390 E402 S844 P845	P390-R847 HydrophobicContact CG-CG 4.16Å; P390-R847 PolarHBondContact O-NH1 2.64Å; P390-R847 PolarHBondContact O-NH2 3.43Å; E402-R847 IonicContact OE1-CZ 3.9Å; E402-R847 IonicContact OE1-NE 3.85Å; E402-R847 PolarHBondContact OE1-NE 3.07Å; E402-R847 IonicContact OE1-NH1 2.84Å; E402-R847 PolarHBondContact OE1-NH1 2.74Å; E402-R847 IonicContact OE1-NH2 2.76Å; E402-R847 WeakPolarHBondContact OE2-CD 3Å; E402-R847 IonicContact OE2-CZ 2.81Å; E402-R847 IonicContact OE2-NE 3.72Å; E402-R847 PolarHBondContact OE2-NE 2.92Å; S844-R847 WeakPolarHBondContact O-CB 3.14Å; S844-R847 WeakPolarHBondContact OG-CD 3.43Å; S844-R847 PolarHBondContact OG-NH1 3.19Å; S844-R847 VanDerWaalsContact OG-NH1 3.17Å; P845-R847 PolarHBondContact O-N 3.5Å
848	H	63.4	Low	65.1	Low	10 Å²	10	34.3 Å²	34.3	5%	0.046	20%	0.199	C	C	.	.			trans	-115.5	152.1	164.4	60.5	-57.8	0	0	0	111.5	R586 N832 R850	R586-H848 WeakPolarHBondContact O-CA 3.44Å; N832-H848 HydrophobicContact CB-CB 3.96Å; H848-R850 VanDerWaalsContact NE2-CZ 3.31Å; H848-R850 PolarHBondContact NE2-NH2 2.96Å; H848-R850 VanDerWaalsContact NE2-NH2 3.16Å
849	V	75.3	Confident	67.2	Low	1 Å²	1	27.9 Å²	27.9	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.5	168.3	-177.3	0	0	0	0	108.9	P390 L403 R404 Y561 L581 R586 H587 D588	P390-V849 HydrophobicContact CB-CG2 4.44Å; P390-V849 HydrophobicContact CG-CG2 4.33Å; L403-V849 HydrophobicContact CD2-CG1 4.41Å; L403-V849 HydrophobicContact CG-CG1 4.35Å; R404-V849 WeakPolarHBondContact O-CA 3.25Å; Y561-V849 HydrophobicContact CE1-CG1 4.32Å; L581-V849 HydrophobicContact CD1-CG2 4.3Å; R586-V849 PolarHBondContact O-N 3.08Å; H587-V849 VanDerWaalsContact CA-O 3.31Å; H587-V849 WeakPolarHBondContact CA-O 3.39Å; H587-V849 PolarHBondContact CD2-O 3.25Å; H587-V849 VanDerWaalsContact CD2-O 3.22Å; D588-V849 PolarHBondContact N-O 3.09Å
850	R	80.3	Confident	69.3	Low	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.8	171.4	-68.2	-151.7	170.6	92.6	-0.6	112	R404 C405 V406 D588 R821 N822 E829 H848	R404-R850 PolarHBondContact O-N 3.46Å; C405-R850 CarbonylContact C-O 3.57Å; C405-R850 VanDerWaalsContact CA-O 3.29Å; C405-R850 WeakPolarHBondContact CA-O 3.41Å; C405-R850 HydrophobicContact CB-CB 4.22Å; V406-R850 PolarHBondContact N-O 2.8Å; D588-R850 HydrophobicContact CB-CG 4.2Å; D588-R850 WeakPolarHBondContact OD2-CD 3.24Å; D588-R850 IonicContact OD2-NE 3.15Å; D588-R850 PolarHBondContact OD2-NE 3.07Å; R821-R850 PolarHBondContact O-NH1 3.11Å; N822-R850 VanDerWaalsContact OD1-CD 3.29Å; N822-R850 WeakPolarHBondContact OD1-CD 3.3Å; N822-R850 WeakPolarHBondContact OD1-CG 3.42Å; N822-R850 PolarHBondContact OD1-NH1 3.48Å; E829-R850 IonicContact OE1-CZ 3.65Å; E829-R850 IonicContact OE1-NH2 2.7Å; E829-R850 PolarHBondContact OE1-NH2 3.26Å; E829-R850 IonicContact OE2-CZ 3.39Å; E829-R850 IonicContact OE2-NH2 3.72Å; E829-R850 PolarHBondContact OE2-NH2 3.13Å; H848-R850 VanDerWaalsContact NE2-CZ 3.31Å; H848-R850 PolarHBondContact NE2-NH2 2.96Å; H848-R850 VanDerWaalsContact NE2-NH2 3.16Å
851	T	84.3	Confident	71.8	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.2	168.6	-61.2	0	0	0	0	110.9	V406 Y561 H587 D588 L589 K590 L853	V406-T851 CarbonylContact O-C 3.53Å; V406-T851 VanDerWaalsContact O-CA 3.28Å; V406-T851 WeakPolarHBondContact O-CA 3.46Å; Y561-T851 WeakPolarHBondContact CE1-OG1 3.33Å; Y561-T851 WeakPolarHBondContact OH-CG2 3.44Å; Y561-T851 PolarHBondContact OH-OG1 2.94Å; H587-T851 WeakPolarHBondContact NE2-CB 3.43Å; H587-T851 PolarHBondContact NE2-OG1 2.67Å; D588-T851 PolarHBondContact O-N 2.66Å; L589-T851 HydrophobicContact CD1-CG2 3.49Å; L589-T851 VanDerWaalsContact CD1-CG2 3.49Å; K590-T851 PolarHBondContact N-O 2.73Å; T851-L853 HydrophobicContact CG2-CD1 4.4Å; T851-L853 HydrophobicContact CG2-CD2 3.69Å; T851-L853 HydrophobicContact CG2-CG 3.84Å
852	R	88	Confident	74.2	Confident	3 Å²	3	16.5 Å²	16.5	1%	0.011	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	104.4	-178.3	-60.8	-67.5	-177.9	-104.1	3.7	109.7	V406 V407 A408 D588 K590 D818 Y854	V406-R852 PolarHBondContact O-N 3.14Å; V407-R852 CarbonylContact C-O 3.55Å; V407-R852 WeakPolarHBondContact CA-O 3.49Å; V407-R852 HydrophobicContact CG1-CB 4.33Å; V407-R852 HydrophobicContact CG2-CB 4.27Å; A408-R852 PolarHBondContact N-O 2.63Å; D588-R852 PolarHBondContact O-NH1 2.98Å; D588-R852 IonicContact OD1-CZ 3.31Å; D588-R852 IonicContact OD1-NH1 2.72Å; D588-R852 PolarHBondContact OD1-NH1 2.92Å; D588-R852 IonicContact OD1-NH2 2.7Å; D588-R852 PolarHBondContact OD1-NH2 2.83Å; D588-R852 IonicContact OD2-CZ 3.99Å; D588-R852 IonicContact OD2-NH1 2.59Å; D588-R852 PolarHBondContact OD2-NH1 3.18Å; D588-R852 IonicContact OD2-NH2 2.86Å; D588-R852 PolarHBondContact OD2-NH2 3.33Å; K590-R852 WeakPolarHBondContact O-CA 3.39Å; D818-R852 HydrophobicContact CB-CG 3.98Å; D818-R852 VanDerWaalsContact CG-NE 3.33Å; D818-R852 IonicContact OD1-CZ 2.68Å; D818-R852 IonicContact OD1-NE 3.89Å; D818-R852 PolarHBondContact OD1-NE 2.98Å; D818-R852 IonicContact OD1-NH2 2.98Å; D818-R852 WeakPolarHBondContact OD2-CD 3.27Å; D818-R852 IonicContact OD2-NE 2.79Å; R852-Y854 HydrophobicContact CB-CE2 3.8Å
853	L	90.6	Very high	76.5	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.7	-177.6	-52.1	-179.3	0	0	0	110.3	A408 F557 L589 K590 I591 Y592 F606 L610 T851 F855	A408-L853 HydrophobicContact CB-CD2 3.78Å; A408-L853 CarbonylContact O-C 3.53Å; F557-L853 HydrophobicContact CE1-CD2 4.41Å; L589-L853 HydrophobicContact CD1-CD1 4.2Å; L589-L853 HydrophobicContact CD1-CG 4.36Å; K590-L853 PolarHBondContact O-N 3.08Å; I591-L853 WeakPolarHBondContact CA-O 3.5Å; I591-L853 HydrophobicContact CD1-CD1 4.11Å; I591-L853 HydrophobicContact CG1-CB 4.32Å; I591-L853 HydrophobicContact CG1-CD1 4.09Å; I591-L853 HydrophobicContact CG1-CG 4.48Å; I591-L853 HydrophobicContact CG2-CB 4.21Å; Y592-L853 PolarHBondContact N-O 2.71Å; F606-L853 HydrophobicContact CD1-CD1 4.1Å; F606-L853 HydrophobicContact CE1-CD1 3.52Å; F606-L853 HydrophobicContact CZ-CD1 4.38Å; L610-L853 HydrophobicContact CD2-CD1 3.75Å; T851-L853 HydrophobicContact CG2-CD1 4.4Å; T851-L853 HydrophobicContact CG2-CD2 3.69Å; T851-L853 HydrophobicContact CG2-CG 3.84Å; L853-F855 HydrophobicContact CB-CD2 4.5Å; L853-F855 HydrophobicContact CB-CE2 3.86Å; L853-F855 HydrophobicContact CD1-CE2 4.48Å
854	Y	91.3	Very high	78.9	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	102.9	-175.6	-66.8	-81.3	0	0	0	110.1	V407 A408 V409 I410 Y592 L633 L634 L811 K814 I815 D818 R852	V407-Y854 HydrophobicContact CG1-CD2 4.1Å; V407-Y854 HydrophobicContact CG1-CE2 3.93Å; A408-Y854 PolarHBondContact O-N 3.43Å; V409-Y854 CarbonylContact C-O 3.57Å; V409-Y854 WeakPolarHBondContact CA-O 3.33Å; V409-Y854 HydrophobicContact CG2-CD2 4.39Å; I410-Y854 PolarHBondContact N-O 3.25Å; Y592-Y854 AromaticContact CD2-CD1 3.73Å; Y592-Y854 HydrophobicContact CD2-CD1 3.73Å; Y592-Y854 AromaticContact CD2-CE1 3.25Å; Y592-Y854 HydrophobicContact CD2-CE1 3.25Å; Y592-Y854 HydrophobicContact CD2-CE2 4.38Å; Y592-Y854 HydrophobicContact CD2-CG 4.44Å; Y592-Y854 AromaticContact CD2-CZ 3.61Å; Y592-Y854 AromaticContact CE2-CE1 3.85Å; Y592-Y854 HydrophobicContact CE2-CE1 3.85Å; Y592-Y854 AromaticContact CE2-CZ 3.82Å; Y592-Y854 HydrophobicContact CG-CD1 4.03Å; Y592-Y854 AromaticContact CG-CE1 3.74Å; Y592-Y854 HydrophobicContact CG-CE1 3.74Å; L633-Y854 HydrophobicContact CD2-CE1 4.2Å; L634-Y854 HydrophobicContact CD1-CD1 4.34Å; L634-Y854 HydrophobicContact CD2-CD1 4.29Å; L811-Y854 HydrophobicContact CD1-CD1 3.69Å; L811-Y854 HydrophobicContact CD1-CD2 4.26Å; L811-Y854 HydrophobicContact CD1-CE1 3.99Å; L811-Y854 HydrophobicContact CD1-CG 3.85Å; K814-Y854 HydrophobicContact CG-CE1 4.29Å; K814-Y854 WeakPolarHBondContact CG-OH 3.32Å; K814-Y854 PolarHBondContact NZ-OH 2.67Å; I815-Y854 HydrophobicContact CG1-CE2 4.22Å; D818-Y854 PolarHBondContact OD2-OH 3.11Å; R852-Y854 HydrophobicContact CB-CE2 3.8Å
855	F	92.2	Very high	80.9	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.3	177.7	-69.9	-92.6	0	0	0	110.6	I410 I591 Y592 A593 S594 V599 T602 A603 F606 L853	I410-F855 HydrophobicContact CB-CD1 3.95Å; I410-F855 HydrophobicContact CB-CE1 3.83Å; I410-F855 HydrophobicContact CB-CZ 4.4Å; I410-F855 HydrophobicContact CD1-CE1 3.92Å; I410-F855 HydrophobicContact CD1-CE2 4.42Å; I410-F855 HydrophobicContact CD1-CZ 3.7Å; I410-F855 HydrophobicContact CG1-CE1 4.44Å; I410-F855 HydrophobicContact CG2-CD1 4.03Å; I410-F855 HydrophobicContact CG2-CE1 3.7Å; I410-F855 WeakPolarHBondContact O-CA 3.5Å; I591-F855 HydrophobicContact CG2-CD2 3.89Å; I591-F855 HydrophobicContact CG2-CE2 3.83Å; Y592-F855 PolarHBondContact O-N 3.19Å; A593-F855 WeakPolarHBondContact CA-O 3.44Å; A593-F855 HydrophobicContact CB-CB 4.09Å; S594-F855 PolarHBondContact N-O 2.77Å; V599-F855 HydrophobicContact CG1-CB 3.67Å; V599-F855 WeakPolarHBondContact CG1-O 3.2Å; T602-F855 HydrophobicContact CG2-CD1 4Å; T602-F855 HydrophobicContact CG2-CE1 4.2Å; A603-F855 HydrophobicContact CB-CB 3.83Å; A603-F855 HydrophobicContact CB-CD1 4.08Å; A603-F855 HydrophobicContact CB-CD2 3.32Å; A603-F855 HydrophobicContact CB-CE2 3.89Å; A603-F855 HydrophobicContact CB-CG 3.44Å; A603-F855 VanDerWaalsContact CB-CG 3.44Å; A603-F855 HydrophobicContact CB-CZ 4.48Å; F606-F855 HydrophobicContact CB-CE1 3.86Å; F606-F855 HydrophobicContact CB-CZ 3.59Å; F606-F855 HydrophobicContact CD1-CE2 4.32Å; F606-F855 AromaticContact CD1-CZ 3.6Å; F606-F855 HydrophobicContact CD1-CZ 3.6Å; F606-F855 AromaticContact CD2-CE1 3.99Å; F606-F855 HydrophobicContact CD2-CE1 3.99Å; F606-F855 AromaticContact CD2-CZ 3.76Å; F606-F855 HydrophobicContact CD2-CZ 3.76Å; F606-F855 HydrophobicContact CE1-CZ 4.13Å; F606-F855 HydrophobicContact CE2-CZ 4.23Å; F606-F855 AromaticContact CG-CE1 3.92Å; F606-F855 HydrophobicContact CG-CE1 3.92Å; F606-F855 HydrophobicContact CG-CE2 4.45Å; F606-F855 AromaticContact CG-CZ 3.39Å; F606-F855 HydrophobicContact CG-CZ 3.39Å; F606-F855 HydrophobicContact CZ-CZ 4.39Å; L853-F855 HydrophobicContact CB-CD2 4.5Å; L853-F855 HydrophobicContact CB-CE2 3.86Å; L853-F855 HydrophobicContact CD1-CE2 4.48Å
856	T	91.1	Very high	83	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	176.6	-168.3	-167.9	0	0	0	0	114.5	V409 I410 H412 H860 V861	V409-T856 HydrophobicContact CG1-CG2 3.8Å; I410-T856 PolarHBondContact O-N 3.06Å; H412-T856 PolarHBondContact N-O 2.99Å; H412-T856 VanDerWaalsContact N-O 3.09Å; T856-H860 HydrophobicContact CG2-CB 3.66Å; T856-H860 VanDerWaalsContact OG1-CB 3.31Å; T856-H860 WeakPolarHBondContact OG1-CB 3.47Å; T856-H860 PolarHBondContact OG1-ND1 3.42Å; T856-V861 HydrophobicContact CG2-CG2 4.12Å
857	S	87.3	Confident	84.8	Confident	15 Å²	15	7.7 Å²	7.7	11%	0.105	4%	0.042	C	C	.	.			trans	-71.2	164.1	169.8	62.5	0	0	0	0	111.9	S859 H860	S857-S859 VanDerWaalsContact C-N 3.26Å; S857-S859 PolarHBondContact O-N 3.33Å; S857-S859 PolarHBondContact OG-OG 2.84Å; S857-H860 PolarHBondContact O-N 3.39Å; S857-H860 PolarHBondContact OG-ND1 3.19Å
858	E	86.6	Confident	86	Confident	38 Å²	38	8.6 Å²	8.6	18%	0.178	5%	0.046	C	C	.	.	H	α-helix	trans	-58.4	-36.2	173.8	-161.5	-171.1	141.1	0	0	113.3	R411 H860 V861 H862	R411-E858 IonicContact CZ-OE2 3.2Å; R411-E858 VanDerWaalsContact CZ-OE2 3.27Å; R411-E858 IonicContact NE-OE2 3.79Å; R411-E858 IonicContact NH2-OE2 2.91Å; R411-E858 PolarHBondContact NH2-OE2 2.62Å; E858-H860 VanDerWaalsContact C-N 3.27Å; E858-H860 PolarHBondContact O-N 2.98Å; E858-V861 PolarHBondContact O-N 3.15Å; E858-H862 PolarHBondContact O-CD2 2.76Å; E858-H862 PolarHBondContact O-N 3.18Å; E858-H862 IonicContact OE1-CD2 3.91Å; E858-H862 PolarHBondContact OE1-CD2 2.91Å; E858-H862 IonicContact OE1-CE1 2.88Å; E858-H862 IonicContact OE1-NE2 3.1Å; E858-H862 PolarHBondContact OE1-NE2 2.79Å
859	S	85.3	Confident	86.9	Confident	13 Å²	13	10.7 Å²	10.7	9%	0.091	5%	0.054	C	C	.	.	H	α-helix	trans	-58.3	-36.9	-178.1	55.4	0	0	0	0	113.1	N636 Y793 S857 S863	N636-S859 PolarHBondContact OD1-OG 3.26Å; Y793-S859 WeakPolarHBondContact OH-CA 3.35Å; S857-S859 VanDerWaalsContact C-N 3.26Å; S857-S859 PolarHBondContact O-N 3.33Å; S857-S859 PolarHBondContact OG-OG 2.84Å; S859-S863 WeakPolarHBondContact O-CB 3.4Å; S859-S863 PolarHBondContact O-N 3.41Å; S859-S863 PolarHBondContact O-OG 2.8Å
860	H	87.5	Confident	87.3	Confident	1 Å²	1	13 Å²	13	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-73.3	-33	176.5	-70.6	89.9	0	0	0	112.4	L634 N636 C808 T856 S857 E858 L864	L634-H860 VanDerWaalsContact C-NE2 3.34Å; L634-H860 PolarHBondContact O-CE1 3.03Å; N636-H860 PolarHBondContact OD1-CE1 2.75Å; N636-H860 VanDerWaalsContact OD1-CE1 3.24Å; C808-H860 PolarHBondContact SG-O 3.19Å; C808-H860 VanDerWaalsContact SG-O 3.35Å; T856-H860 HydrophobicContact CG2-CB 3.66Å; T856-H860 VanDerWaalsContact OG1-CB 3.31Å; T856-H860 WeakPolarHBondContact OG1-CB 3.47Å; T856-H860 PolarHBondContact OG1-ND1 3.42Å; S857-H860 PolarHBondContact O-N 3.39Å; S857-H860 PolarHBondContact OG-ND1 3.19Å; E858-H860 VanDerWaalsContact C-N 3.27Å; E858-H860 PolarHBondContact O-N 2.98Å; H860-L864 VanDerWaalsContact O-CB 3.24Å; H860-L864 WeakPolarHBondContact O-CB 3.27Å; H860-L864 PolarHBondContact O-N 3.21Å
861	V	89.8	Confident	87.2	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-71.2	-46.7	177.1	-169	0	0	0	0	110.1	R411 T856 E858 S863 L864 L865 L895 I901	R411-V861 HydrophobicContact CB-CG2 4.19Å; T856-V861 HydrophobicContact CG2-CG2 4.12Å; E858-V861 PolarHBondContact O-N 3.15Å; V861-S863 VanDerWaalsContact C-N 3.32Å; V861-S863 PolarHBondContact O-N 3.35Å; V861-L864 PolarHBondContact O-N 2.96Å; V861-L865 WeakPolarHBondContact O-CB 3.45Å; V861-L865 PolarHBondContact O-N 3.23Å; V861-L895 HydrophobicContact CB-CD1 4.23Å; V861-L895 HydrophobicContact CG1-CD1 3.93Å; V861-I901 HydrophobicContact CG1-CD1 4.01Å; V861-I901 HydrophobicContact CG1-CG1 4.48Å
862	H	87.8	Confident	86.8	Confident	23 Å²	23	17 Å²	17	11%	0.106	10%	0.104	C	C	.	.	H	α-helix	trans	-55.5	-46.7	171.3	-78.7	-63.9	0	0	0	111.8	Y793 E858 L865 T866 L895	Y793-H862 HydrophobicContact CD2-CB 4.31Å; Y793-H862 HydrophobicContact CE2-CB 4.28Å; Y793-H862 AromaticContact CE2-CD2 3.58Å; Y793-H862 AromaticContact CE2-CG 3.99Å; Y793-H862 HydrophobicContact CG-CB 4.48Å; Y793-H862 AromaticContact CZ-CD2 3.94Å; E858-H862 PolarHBondContact O-CD2 2.76Å; E858-H862 PolarHBondContact O-N 3.18Å; E858-H862 IonicContact OE1-CD2 3.91Å; E858-H862 PolarHBondContact OE1-CD2 2.91Å; E858-H862 IonicContact OE1-CE1 2.88Å; E858-H862 IonicContact OE1-NE2 3.1Å; E858-H862 PolarHBondContact OE1-NE2 2.79Å; H862-L865 PolarHBondContact O-N 2.7Å; H862-T866 WeakPolarHBondContact O-CB 3.37Å; H862-T866 PolarHBondContact O-N 2.9Å; H862-T866 PolarHBondContact O-OG1 3.06Å; H862-L895 HydrophobicContact CB-CD1 4.48Å; H862-L895 WeakPolarHBondContact ND1-CD1 3.26Å
863	S	88.5	Confident	86	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-43.5	-177	-63.8	0	0	0	0	112.6	I807 C808 S859 V861 T866 V867	I807-S863 WeakPolarHBondContact CD1-OG 3.38Å; C808-S863 WeakPolarHBondContact SG-CB 3.33Å; S859-S863 WeakPolarHBondContact O-CB 3.4Å; S859-S863 PolarHBondContact O-N 3.41Å; S859-S863 PolarHBondContact O-OG 2.8Å; V861-S863 VanDerWaalsContact C-N 3.32Å; V861-S863 PolarHBondContact O-N 3.35Å; S863-T866 WeakPolarHBondContact O-CB 3.42Å; S863-T866 PolarHBondContact O-N 3.35Å; S863-V867 WeakPolarHBondContact O-CG2 3.42Å; S863-V867 PolarHBondContact O-N 2.78Å
864	L	88.6	Confident	85.1	Confident	5 Å²	5	19 Å²	19	3%	0.026	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-45.4	176	178.7	57	0	0	0	111.5	V409 C808 L812 H860 V861 T866 V867 L868 I901	V409-L864 HydrophobicContact CB-CD2 3.97Å; V409-L864 HydrophobicContact CG1-CD2 4.16Å; V409-L864 HydrophobicContact CG2-CD2 3.65Å; C808-L864 PolarHBondContact SG-N 2.69Å; L812-L864 HydrophobicContact CD2-CD1 3.58Å; L812-L864 HydrophobicContact CG-CD1 4.29Å; H860-L864 VanDerWaalsContact O-CB 3.24Å; H860-L864 WeakPolarHBondContact O-CB 3.27Å; H860-L864 PolarHBondContact O-N 3.21Å; V861-L864 PolarHBondContact O-N 2.96Å; L864-T866 VanDerWaalsContact C-N 3.25Å; L864-T866 PolarHBondContact O-N 3.46Å; L864-V867 PolarHBondContact O-N 2.93Å; L864-L868 HydrophobicContact CD1-CD1 4.33Å; L864-L868 HydrophobicContact CD1-CG 4.38Å; L864-L868 HydrophobicContact CG-CD1 4.2Å; L864-L868 WeakPolarHBondContact O-CG 3.5Å; L864-L868 PolarHBondContact O-N 3.31Å; L864-I901 HydrophobicContact CB-CD1 4.22Å; L864-I901 HydrophobicContact CD2-CD1 3.87Å; L864-I901 HydrophobicContact CD2-CG2 4.44Å; L864-I901 HydrophobicContact CG-CD1 3.93Å
865	L	88.5	Confident	83.9	Confident	22 Å²	22	23.2 Å²	23.2	12%	0.115	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-37.1	177.1	-161.3	69.1	0	0	0	111.6	V861 H862 L868 R869 I889 L895 I901 F925	V861-L865 WeakPolarHBondContact O-CB 3.45Å; V861-L865 PolarHBondContact O-N 3.23Å; H862-L865 PolarHBondContact O-N 2.7Å; L865-L868 PolarHBondContact O-N 2.68Å; L865-R869 WeakPolarHBondContact O-CB 3.03Å; L865-R869 PolarHBondContact O-N 3.21Å; L865-I889 HydrophobicContact CD1-CD1 3.42Å; L865-I889 VanDerWaalsContact CD1-CD1 3.42Å; L865-I889 HydrophobicContact CD1-CG1 4.26Å; L865-I889 HydrophobicContact CD2-CD1 4.12Å; L865-I889 HydrophobicContact CD2-CG1 4.26Å; L865-I889 HydrophobicContact CG-CD1 3.73Å; L865-I889 HydrophobicContact CG-CG1 4.41Å; L865-L895 HydrophobicContact CD2-CD1 4.31Å; L865-L895 HydrophobicContact CD2-CD2 4.06Å; L865-I901 HydrophobicContact CB-CD1 4.3Å; L865-I901 HydrophobicContact CD1-CD1 4.07Å; L865-I901 HydrophobicContact CD1-CG1 4.41Å; L865-F925 HydrophobicContact CD1-CD2 3.82Å; L865-F925 HydrophobicContact CD1-CE2 4.06Å; L865-F925 HydrophobicContact CD1-CG 4.28Å; L865-F925 HydrophobicContact CD2-CE2 4.07Å; L865-F925 HydrophobicContact CD2-CZ 4.27Å
866	T	87.3	Confident	82.8	Confident	19 Å²	19	26.2 Å²	26.2	12%	0.117	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-47.2	175.6	-68.2	0	0	0	0	112.2	K800 H862 S863 L864 L868 R869 Y870	K800-T866 HydrophobicContact CB-CG2 3.68Å; K800-T866 VanDerWaalsContact O-CG2 3.23Å; K800-T866 WeakPolarHBondContact O-CG2 3.24Å; H862-T866 WeakPolarHBondContact O-CB 3.37Å; H862-T866 PolarHBondContact O-N 2.9Å; H862-T866 PolarHBondContact O-OG1 3.06Å; S863-T866 WeakPolarHBondContact O-CB 3.42Å; S863-T866 PolarHBondContact O-N 3.35Å; L864-T866 VanDerWaalsContact C-N 3.25Å; L864-T866 PolarHBondContact O-N 3.46Å; T866-L868 VanDerWaalsContact C-N 3.32Å; T866-L868 PolarHBondContact O-N 3.16Å; T866-R869 PolarHBondContact O-N 2.81Å; T866-Y870 HydrophobicContact CG2-CD2 3.94Å; T866-Y870 HydrophobicContact CG2-CE2 4.34Å; T866-Y870 WeakPolarHBondContact O-CD2 3.4Å; T866-Y870 PolarHBondContact O-N 3.32Å
867	V	87.3	Confident	82	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-36	175.7	175.8	0	0	0	0	111.3	Q805 L812 S863 L864 G871	Q805-V867 HydrophobicContact CG-CG2 4.35Å; L812-V867 HydrophobicContact CD1-CB 4.31Å; L812-V867 HydrophobicContact CD1-CG1 3.82Å; L812-V867 HydrophobicContact CD1-CG2 4.38Å; S863-V867 WeakPolarHBondContact O-CG2 3.42Å; S863-V867 PolarHBondContact O-N 2.78Å; L864-V867 PolarHBondContact O-N 2.93Å; V867-G871 WeakPolarHBondContact O-CA 3.4Å; V867-G871 PolarHBondContact O-N 3.43Å
868	L	84.3	Confident	81.3	Confident	21 Å²	21	37.2 Å²	37.2	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-65.8	-41	173.6	-71	170.2	0	0	0	112.7	L864 L865 T866 W882 I901 L923	L864-L868 HydrophobicContact CD1-CD1 4.33Å; L864-L868 HydrophobicContact CD1-CG 4.38Å; L864-L868 HydrophobicContact CG-CD1 4.2Å; L864-L868 WeakPolarHBondContact O-CG 3.5Å; L864-L868 PolarHBondContact O-N 3.31Å; L865-L868 PolarHBondContact O-N 2.68Å; T866-L868 VanDerWaalsContact C-N 3.32Å; T866-L868 PolarHBondContact O-N 3.16Å; L868-W882 WeakPolarHBondContact O-CH2 3.37Å; L868-W882 WeakPolarHBondContact O-CZ2 3.4Å; L868-I901 HydrophobicContact CD1-CG2 4.21Å; L868-L923 HydrophobicContact CD2-CD1 4.31Å
869	R	82.9	Confident	80.8	Confident	54 Å²	54	37.2 Å²	37.2	20%	0.204	22%	0.223	C	C	.	.	H	α-helix	trans	-71.4	-44.3	-179.6	173.2	164.3	178.4	-173.1	-5.1	113.5	C672 L865 T866 M886	C672-R869 PolarHBondContact O-NH2 3.13Å; L865-R869 WeakPolarHBondContact O-CB 3.03Å; L865-R869 PolarHBondContact O-N 3.21Å; T866-R869 PolarHBondContact O-N 2.81Å; R869-M886 HydrophobicContact CB-CE 4.27Å; R869-M886 HydrophobicContact CB-SD 3.87Å; R869-M886 HydrophobicContact CG-SD 3.6Å; R869-M886 VanDerWaalsContact CG-SD 3.6Å
870	Y	84.1	Confident	80.3	Confident	51 Å²	51	40.8 Å²	40.8	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-107.8	-13.4	-171.3	-56.3	-72.1	0	0	0	114.2	C672 P797 K800 T866 G872	C672-Y870 WeakPolarHBondContact CB-OH 3.4Å; P797-Y870 HydrophobicContact CB-CD1 3.98Å; P797-Y870 HydrophobicContact CB-CE1 4.28Å; P797-Y870 HydrophobicContact CB-CG 4.46Å; P797-Y870 HydrophobicContact CG-CE1 4.43Å; K800-Y870 HydrophobicContact CB-CE2 4.47Å; K800-Y870 HydrophobicContact CD-CE2 3.86Å; T866-Y870 HydrophobicContact CG2-CD2 3.94Å; T866-Y870 HydrophobicContact CG2-CE2 4.34Å; T866-Y870 WeakPolarHBondContact O-CD2 3.4Å; T866-Y870 PolarHBondContact O-N 3.32Å; Y870-G872 PolarHBondContact O-N 3.02Å
871	G	78.9	Confident	79.5	Confident	16 Å²	16	43.3 Å²	43.3	17%	0.165	25%	0.25	C	S	.	.	S	Bend	trans	-75.5	19.1	-175.8	0	0	0	0	0	115.7	V867 L873	V867-G871 WeakPolarHBondContact O-CA 3.4Å; V867-G871 PolarHBondContact O-N 3.43Å; G871-L873 VanDerWaalsContact C-N 3.32Å; G871-L873 PolarHBondContact O-N 3.02Å
872	G	74.6	Confident	79	Confident	68 Å²	68	43.5 Å²	43.5	70%	0.701	25%	0.251	S	S	*	.			trans	65.9	24.6	173.3	0	0	0	0	0	115.8	Y870 L874	Y870-G872 PolarHBondContact O-N 3.02Å; G872-L874 PolarHBondContact O-N 3.1Å
873	L	71.6	Confident	78.7	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.026	27%	0.267	C	S	.	.	S	Bend	trans	-57	-47.6	-178.9	-176.7	80.1	0	0	0	112	G871 W882 L923 I1128 C1131 I1135	G871-L873 VanDerWaalsContact C-N 3.32Å; G871-L873 PolarHBondContact O-N 3.02Å; L873-W882 HydrophobicContact CB-CH2 4.21Å; L873-W882 HydrophobicContact CB-CZ2 4.06Å; L873-W882 HydrophobicContact CD2-CH2 3.51Å; L873-W882 HydrophobicContact CD2-CZ2 4.18Å; L873-W882 HydrophobicContact CD2-CZ3 3.95Å; L873-W882 HydrophobicContact CG-CH2 4.42Å; L873-L923 HydrophobicContact CD2-CD1 4.17Å; L873-I1128 HydrophobicContact CD1-CD1 4.39Å; L873-I1128 HydrophobicContact CD2-CD1 3.85Å; L873-I1128 HydrophobicContact CD2-CG1 4.18Å; L873-C1131 HydrophobicContact CD1-CB 3.52Å; L873-C1131 HydrophobicContact CG-CB 4Å; L873-C1131 WeakPolarHBondContact O-CB 3.46Å; L873-C1131 PolarHBondContact O-SG 3.23Å; L873-I1135 HydrophobicContact CB-CD1 4.5Å; L873-I1135 HydrophobicContact CD1-CD1 3.51Å; L873-I1135 HydrophobicContact CD1-CG1 4.33Å
874	L	70.9	Confident	78.3	Confident	40 Å²	40	55.5 Å²	55.5	21%	0.209	30%	0.295	C	S	.	.	S	Bend	trans	-144.4	158.5	178.2	-69	171.7	0	0	0	110.2	G872 W882 F1126	G872-L874 PolarHBondContact O-N 3.1Å; L874-W882 HydrophobicContact CB-CB 4.5Å; L874-W882 HydrophobicContact CB-CD2 3.92Å; L874-W882 HydrophobicContact CB-CG 3.88Å; L874-W882 HydrophobicContact CB-CZ2 4.49Å; L874-W882 HydrophobicContact CD1-CD2 4.31Å; L874-W882 HydrophobicContact CD1-CE3 4.21Å; L874-W882 PolarHBondContact O-NE1 3.47Å; L874-F1126 HydrophobicContact CD1-CD1 3.46Å; L874-F1126 VanDerWaalsContact CD1-CD1 3.46Å; L874-F1126 HydrophobicContact CD1-CE1 3.21Å; L874-F1126 HydrophobicContact CD1-CZ 4.24Å
875	N	67.2	Low	77.9	Confident	87 Å²	87	55.8 Å²	55.8	47%	0.465	30%	0.298	S	S	.	.			trans	-92.1	116.5	-177.2	179.9	-0.9	0	0	0	111.3	V877 T878 D879	N875-V877 PolarHBondContact O-N 2.92Å; N875-V877 WeakPolarHBondContact OD1-CB 3.32Å; N875-V877 PolarHBondContact OD1-N 3.28Å; N875-T878 WeakPolarHBondContact CB-OG1 3.49Å; N875-T878 PolarHBondContact O-N 2.81Å; N875-T878 PolarHBondContact O-OG1 2.85Å; N875-D879 PolarHBondContact O-N 3.01Å
876	V	69.1	Low	77.7	Confident	64 Å²	64	55.5 Å²	55.5	39%	0.388	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.8	-178.8	-178.1	0	0	0	0	113.2	R883 M886	V876-R883 HydrophobicContact CG1-CB 4.25Å; V876-R883 HydrophobicContact CG1-CG 4.31Å; V876-M886 HydrophobicContact CG2-CG 4.38Å
877	V	73.1	Confident	77.5	Confident	133 Å²	133	57.3 Å²	57.3	81%	0.806	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-35.8	179.7	-174.1	0	0	0	0	112	N875	N875-V877 PolarHBondContact O-N 2.92Å; N875-V877 WeakPolarHBondContact OD1-CB 3.32Å; N875-V877 PolarHBondContact OD1-N 3.28Å
878	T	74.2	Confident	77.4	Confident	112 Å²	112	58 Å²	58	69%	0.687	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-27.6	-173.9	57.6	0	0	0	0	113.5	N875	N875-T878 WeakPolarHBondContact CB-OG1 3.49Å; N875-T878 PolarHBondContact O-N 2.81Å; N875-T878 PolarHBondContact O-OG1 2.85Å
879	D	75.9	Confident	77.5	Confident	39 Å²	39	57.7 Å²	57.7	21%	0.209	31%	0.306	C	S	.	.			trans	-101.1	102.8	178.9	-173.6	-32.9	0	0	0	110	N875 Q881 W882 R883 F1126	N875-D879 PolarHBondContact O-N 3.01Å; D879-Q881 VanDerWaalsContact C-N 3.26Å; D879-Q881 PolarHBondContact O-N 3.15Å; D879-Q881 WeakPolarHBondContact OD1-CA 3.49Å; D879-Q881 WeakPolarHBondContact OD1-CB 3.23Å; D879-Q881 PolarHBondContact OD1-N 2.83Å; D879-W882 HydrophobicContact CB-CB 3.73Å; D879-W882 PolarHBondContact O-N 3.19Å; D879-W882 PolarHBondContact OD1-N 3.23Å; D879-R883 PolarHBondContact O-N 2.81Å; D879-F1126 WeakPolarHBondContact OD2-CE1 3.35Å
880	E	74.8	Confident	77.7	Confident	87 Å²	87	55.4 Å²	55.4	41%	0.407	30%	0.298	S	S	.	.	H	α-helix	trans	-67.2	-29.3	-176.9	-146	-111	127.2	0	0	112.4	R883 R884	E880-R883 VanDerWaalsContact CG-NH2 3.33Å; E880-R883 IonicContact OE1-CZ 3.66Å; E880-R883 IonicContact OE1-NH2 2.96Å; E880-R883 PolarHBondContact OE1-NH2 2.99Å; E880-R884 VanDerWaalsContact CD-NH2 3.33Å; E880-R884 VanDerWaalsContact O-CG 3.3Å; E880-R884 WeakPolarHBondContact O-CG 3.35Å; E880-R884 PolarHBondContact O-N 2.71Å; E880-R884 VanDerWaalsContact O-N 3.08Å; E880-R884 IonicContact OE1-CZ 3.98Å; E880-R884 IonicContact OE1-NE 2.93Å; E880-R884 PolarHBondContact OE1-NE 2.67Å; E880-R884 IonicContact OE1-NH2 3.19Å; E880-R884 PolarHBondContact OE1-NH2 3.31Å; E880-R884 IonicContact OE2-CZ 3.3Å; E880-R884 IonicContact OE2-NE 3.02Å; E880-R884 PolarHBondContact OE2-NE 3.01Å; E880-R884 IonicContact OE2-NH2 3.41Å; E880-R884 PolarHBondContact OE2-NH2 3.5Å
881	Q	70.6	Confident	77.7	Confident	55 Å²	55	56.5 Å²	56.5	26%	0.257	31%	0.306	S	S	.	.	H	α-helix	trans	-71.1	-39.8	175.1	-172.5	-179.6	-24.4	0	0	109.9	D879 R884 A885 F1125 F1126	D879-Q881 VanDerWaalsContact C-N 3.26Å; D879-Q881 PolarHBondContact O-N 3.15Å; D879-Q881 WeakPolarHBondContact OD1-CA 3.49Å; D879-Q881 WeakPolarHBondContact OD1-CB 3.23Å; D879-Q881 PolarHBondContact OD1-N 2.83Å; Q881-R884 PolarHBondContact O-N 2.89Å; Q881-A885 WeakPolarHBondContact O-CB 3.38Å; Q881-A885 PolarHBondContact O-N 2.96Å; Q881-F1125 PolarHBondContact NE2-O 2.8Å; Q881-F1126 VanDerWaalsContact C-CE2 3.44Å; Q881-F1126 HydrophobicContact CB-CE2 4.09Å; Q881-F1126 HydrophobicContact CB-CZ 3.78Å; Q881-F1126 HydrophobicContact CG-CE2 3.69Å; Q881-F1126 HydrophobicContact CG-CZ 3.77Å
882	W	79.4	Confident	78	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-68.9	-37.7	179	-171.7	-120.6	0	0	0	110.6	L868 L873 L874 D879 A885 M886 W1124 F1126	L868-W882 WeakPolarHBondContact O-CH2 3.37Å; L868-W882 WeakPolarHBondContact O-CZ2 3.4Å; L873-W882 HydrophobicContact CB-CH2 4.21Å; L873-W882 HydrophobicContact CB-CZ2 4.06Å; L873-W882 HydrophobicContact CD2-CH2 3.51Å; L873-W882 HydrophobicContact CD2-CZ2 4.18Å; L873-W882 HydrophobicContact CD2-CZ3 3.95Å; L873-W882 HydrophobicContact CG-CH2 4.42Å; L874-W882 HydrophobicContact CB-CB 4.5Å; L874-W882 HydrophobicContact CB-CD2 3.92Å; L874-W882 HydrophobicContact CB-CG 3.88Å; L874-W882 HydrophobicContact CB-CZ2 4.49Å; L874-W882 HydrophobicContact CD1-CD2 4.31Å; L874-W882 HydrophobicContact CD1-CE3 4.21Å; L874-W882 PolarHBondContact O-NE1 3.47Å; D879-W882 HydrophobicContact CB-CB 3.73Å; D879-W882 PolarHBondContact O-N 3.19Å; D879-W882 PolarHBondContact OD1-N 3.23Å; W882-A885 PolarHBondContact O-N 3.16Å; W882-M886 HydrophobicContact CD2-CE 4.06Å; W882-M886 HydrophobicContact CE3-CE 4.07Å; W882-M886 HydrophobicContact CH2-CE 3.42Å; W882-M886 VanDerWaalsContact CH2-CE 3.42Å; W882-M886 HydrophobicContact CZ2-CE 3.42Å; W882-M886 VanDerWaalsContact CZ2-CE 3.42Å; W882-M886 HydrophobicContact CZ3-CE 3.76Å; W882-M886 WeakPolarHBondContact O-CB 3.19Å; W882-M886 VanDerWaalsContact O-CG 3.29Å; W882-M886 WeakPolarHBondContact O-CG 3.32Å; W882-M886 PolarHBondContact O-N 3.41Å; W882-W1124 HydrophobicContact CZ3-CZ3 4.46Å; W882-F1126 HydrophobicContact CB-CE1 4.19Å; W882-F1126 HydrophobicContact CB-CE2 3.91Å; W882-F1126 HydrophobicContact CB-CZ 3.49Å; W882-F1126 VanDerWaalsContact CB-CZ 3.49Å; W882-F1126 HydrophobicContact CD2-CE2 4.41Å; W882-F1126 HydrophobicContact CD2-CZ 4.39Å; W882-F1126 AromaticContact CE3-CD1 3.94Å; W882-F1126 HydrophobicContact CE3-CD1 3.94Å; W882-F1126 AromaticContact CE3-CD2 3.59Å; W882-F1126 HydrophobicContact CE3-CD2 3.59Å; W882-F1126 AromaticContact CE3-CE1 3.98Å; W882-F1126 HydrophobicContact CE3-CE1 3.98Å; W882-F1126 AromaticContact CE3-CE2 3.63Å; W882-F1126 HydrophobicContact CE3-CE2 3.63Å; W882-F1126 AromaticContact CE3-CG 3.83Å; W882-F1126 HydrophobicContact CE3-CG 3.83Å; W882-F1126 AromaticContact CE3-CZ 3.87Å; W882-F1126 HydrophobicContact CE3-CZ 3.87Å; W882-F1126 HydrophobicContact CG-CZ 4.31Å; W882-F1126 HydrophobicContact CZ3-CD1 4.36Å; W882-F1126 HydrophobicContact CZ3-CD2 4.11Å; W882-F1126 HydrophobicContact CZ3-CG 4.09Å
883	R	80.6	Confident	78.4	Confident	119 Å²	119	55.2 Å²	55.2	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-56.5	-57.8	168.1	-172.6	-177.9	67.7	164.2	2.2	112	V876 D879 E880 A885 M886 D887	V876-R883 HydrophobicContact CG1-CB 4.25Å; V876-R883 HydrophobicContact CG1-CG 4.31Å; D879-R883 PolarHBondContact O-N 2.81Å; E880-R883 VanDerWaalsContact CG-NH2 3.33Å; E880-R883 IonicContact OE1-CZ 3.66Å; E880-R883 IonicContact OE1-NH2 2.96Å; E880-R883 PolarHBondContact OE1-NH2 2.99Å; R883-A885 PolarHBondContact O-N 3.4Å; R883-M886 PolarHBondContact O-N 3.01Å; R883-D887 WeakPolarHBondContact O-CB 3.48Å; R883-D887 PolarHBondContact O-N 2.86Å
884	R	80.4	Confident	78.9	Confident	157 Å²	157	56.1 Å²	56.1	59%	0.592	29%	0.287	S	S	*	.	H	α-helix	trans	-56.2	-37.1	178.8	-70.1	173.9	-168.6	-168.8	8.3	112.5	E880 Q881 Y888	E880-R884 VanDerWaalsContact CD-NH2 3.33Å; E880-R884 VanDerWaalsContact O-CG 3.3Å; E880-R884 WeakPolarHBondContact O-CG 3.35Å; E880-R884 PolarHBondContact O-N 2.71Å; E880-R884 VanDerWaalsContact O-N 3.08Å; E880-R884 IonicContact OE1-CZ 3.98Å; E880-R884 IonicContact OE1-NE 2.93Å; E880-R884 PolarHBondContact OE1-NE 2.67Å; E880-R884 IonicContact OE1-NH2 3.19Å; E880-R884 PolarHBondContact OE1-NH2 3.31Å; E880-R884 IonicContact OE2-CZ 3.3Å; E880-R884 IonicContact OE2-NE 3.02Å; E880-R884 PolarHBondContact OE2-NE 3.01Å; E880-R884 IonicContact OE2-NH2 3.41Å; E880-R884 PolarHBondContact OE2-NH2 3.5Å; Q881-R884 PolarHBondContact O-N 2.89Å; R884-Y888 PolarHBondContact O-N 2.98Å
885	A	79.3	Confident	79.7	Confident	12 Å²	12	54.5 Å²	54.5	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-69.5	-52.3	176.6	0	0	0	0	0	111.1	Q881 W882 R883 D887 Y888 I889 W1124 F1126	Q881-A885 WeakPolarHBondContact O-CB 3.38Å; Q881-A885 PolarHBondContact O-N 2.96Å; W882-A885 PolarHBondContact O-N 3.16Å; R883-A885 PolarHBondContact O-N 3.4Å; A885-D887 PolarHBondContact O-N 3.48Å; A885-Y888 WeakPolarHBondContact O-CA 3.24Å; A885-Y888 WeakPolarHBondContact O-CB 3.26Å; A885-Y888 PolarHBondContact O-N 3.13Å; A885-I889 PolarHBondContact O-N 2.84Å; A885-W1124 HydrophobicContact CB-CD2 4.1Å; A885-W1124 HydrophobicContact CB-CE3 3.77Å; A885-W1124 HydrophobicContact CB-CH2 3.53Å; A885-W1124 HydrophobicContact CB-CZ2 3.92Å; A885-W1124 HydrophobicContact CB-CZ3 3.48Å; A885-W1124 VanDerWaalsContact CB-CZ3 3.48Å; A885-W1124 WeakPolarHBondContact O-CH2 3.37Å; A885-W1124 WeakPolarHBondContact O-CZ2 3.49Å; A885-F1126 HydrophobicContact CB-CD2 4.24Å; A885-F1126 HydrophobicContact CB-CE2 4.07Å
886	M	84.8	Confident	80.7	Confident	16 Å²	16	51 Å²	51	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-34.5	176.5	-71.6	-60.3	144.2	0	0	112.9	R869 V876 W882 R883 I889 S890 W1124	R869-M886 HydrophobicContact CB-CE 4.27Å; R869-M886 HydrophobicContact CB-SD 3.87Å; R869-M886 HydrophobicContact CG-SD 3.6Å; R869-M886 VanDerWaalsContact CG-SD 3.6Å; V876-M886 HydrophobicContact CG2-CG 4.38Å; W882-M886 HydrophobicContact CD2-CE 4.06Å; W882-M886 HydrophobicContact CE3-CE 4.07Å; W882-M886 HydrophobicContact CH2-CE 3.42Å; W882-M886 VanDerWaalsContact CH2-CE 3.42Å; W882-M886 HydrophobicContact CZ2-CE 3.42Å; W882-M886 VanDerWaalsContact CZ2-CE 3.42Å; W882-M886 HydrophobicContact CZ3-CE 3.76Å; W882-M886 WeakPolarHBondContact O-CB 3.19Å; W882-M886 VanDerWaalsContact O-CG 3.29Å; W882-M886 WeakPolarHBondContact O-CG 3.32Å; W882-M886 PolarHBondContact O-N 3.41Å; R883-M886 PolarHBondContact O-N 3.01Å; M886-I889 PolarHBondContact O-N 3.47Å; M886-S890 WeakPolarHBondContact O-CB 3.25Å; M886-S890 PolarHBondContact O-N 3.3Å; M886-W1124 HydrophobicContact CE-CH2 3.78Å; M886-W1124 HydrophobicContact CE-CZ3 3.81Å; M886-W1124 HydrophobicContact SD-CH2 4.29Å
887	D	84.3	Confident	81.7	Confident	57 Å²	57	48.5 Å²	48.5	31%	0.305	24%	0.243	S	C	.	.	H	α-helix	trans	-57.8	-47.2	169.2	-80.8	-46.6	0	0	0	112	K675 R883 A885 S890 M891	K675-D887 WeakPolarHBondContact CE-OD1 3.42Å; K675-D887 IonicContact NZ-OD1 2.75Å; K675-D887 PolarHBondContact NZ-OD1 3.11Å; R883-D887 WeakPolarHBondContact O-CB 3.48Å; R883-D887 PolarHBondContact O-N 2.86Å; A885-D887 PolarHBondContact O-N 3.48Å; D887-S890 PolarHBondContact O-N 2.88Å; D887-S890 PolarHBondContact O-OG 3.01Å; D887-M891 WeakPolarHBondContact O-CG 3.31Å; D887-M891 PolarHBondContact O-N 3.02Å
888	Y	84.6	Confident	82.6	Confident	22 Å²	22	42.2 Å²	42.2	9%	0.086	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-47.3	175.1	179.3	-84.4	0	0	0	112.2	R884 A885 S890 M891 V892 F925 P938 W1124	R884-Y888 PolarHBondContact O-N 2.98Å; A885-Y888 WeakPolarHBondContact O-CA 3.24Å; A885-Y888 WeakPolarHBondContact O-CB 3.26Å; A885-Y888 PolarHBondContact O-N 3.13Å; Y888-S890 PolarHBondContact O-N 3.48Å; Y888-M891 PolarHBondContact O-N 3.34Å; Y888-V892 HydrophobicContact CD1-CG2 4.06Å; Y888-V892 HydrophobicContact CE1-CG2 3.65Å; Y888-V892 PolarHBondContact O-N 3.33Å; Y888-F925 HydrophobicContact CE1-CD1 4.23Å; Y888-F925 HydrophobicContact CE1-CE1 4.17Å; Y888-P938 HydrophobicContact CD2-CB 4.48Å; Y888-P938 HydrophobicContact CE2-CB 4.16Å; Y888-P938 WeakPolarHBondContact CE2-O 3.42Å; Y888-W1124 HydrophobicContact CD1-CZ2 4.37Å; Y888-W1124 AromaticContact CD1-NE1 3.22Å; Y888-W1124 AromaticContact CE1-NE1 3.72Å
889	I	85.6	Confident	83.4	Confident	13 Å²	13	36.9 Å²	36.9	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-37.1	175.9	-105	170.1	0	0	0	110.9	L865 A885 M886 M891 V892 W1124	L865-I889 HydrophobicContact CD1-CD1 3.42Å; L865-I889 VanDerWaalsContact CD1-CD1 3.42Å; L865-I889 HydrophobicContact CD1-CG1 4.26Å; L865-I889 HydrophobicContact CD2-CD1 4.12Å; L865-I889 HydrophobicContact CD2-CG1 4.26Å; L865-I889 HydrophobicContact CG-CD1 3.73Å; L865-I889 HydrophobicContact CG-CG1 4.41Å; A885-I889 PolarHBondContact O-N 2.84Å; M886-I889 PolarHBondContact O-N 3.47Å; I889-M891 PolarHBondContact O-N 2.88Å; I889-V892 PolarHBondContact O-N 3.16Å; I889-W1124 HydrophobicContact CB-CH2 3.98Å; I889-W1124 HydrophobicContact CB-CZ2 3.63Å; I889-W1124 HydrophobicContact CD1-CH2 3.23Å; I889-W1124 HydrophobicContact CD1-CZ2 3.32Å; I889-W1124 HydrophobicContact CD1-CZ3 4.01Å; I889-W1124 HydrophobicContact CG1-CH2 3.72Å; I889-W1124 HydrophobicContact CG1-CZ2 3.27Å
890	S	86.9	Confident	84.2	Confident	6 Å²	6	36 Å²	36	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-20.2	178.6	81.9	0	0	0	0	113.6	S674 K675 S676 M886 D887 Y888	S674-S890 PolarHBondContact OG-O 3.45Å; K675-S890 CarbonylContact C-O 3.59Å; K675-S890 WeakPolarHBondContact CA-O 3.48Å; K675-S890 WeakPolarHBondContact CB-O 3.35Å; K675-S890 VanDerWaalsContact CD-OG 3.29Å; K675-S890 WeakPolarHBondContact CD-OG 3.29Å; K675-S890 WeakPolarHBondContact CE-OG 3.29Å; K675-S890 WeakPolarHBondContact CG-OG 3.49Å; K675-S890 PolarHBondContact N-O 3.46Å; S676-S890 PolarHBondContact N-O 3.02Å; S676-S890 PolarHBondContact OG-O 3.42Å; S676-S890 VanDerWaalsContact OG-O 3.09Å; M886-S890 WeakPolarHBondContact O-CB 3.25Å; M886-S890 PolarHBondContact O-N 3.3Å; D887-S890 PolarHBondContact O-N 2.88Å; D887-S890 PolarHBondContact O-OG 3.01Å; Y888-S890 PolarHBondContact O-N 3.48Å
891	M	85.9	Confident	84.9	Confident	75 Å²	75	32.1 Å²	32.1	37%	0.369	15%	0.149	S	C	.	.	H	α-helix	trans	-90.6	-19.3	175.1	-65.3	179.8	-176.6	0	0	113.3	K675 D887 Y888 I889 S893 P938	K675-M891 HydrophobicContact CB-CG 4.36Å; K675-M891 HydrophobicContact CD-CE 3.99Å; K675-M891 HydrophobicContact CD-CG 4.04Å; D887-M891 WeakPolarHBondContact O-CG 3.31Å; D887-M891 PolarHBondContact O-N 3.02Å; Y888-M891 PolarHBondContact O-N 3.34Å; I889-M891 PolarHBondContact O-N 2.88Å; M891-S893 PolarHBondContact O-N 3.04Å; M891-P938 HydrophobicContact CB-CB 4.25Å; M891-P938 HydrophobicContact CB-CG 3.91Å
892	V	85.4	Confident	85.8	Confident	18 Å²	18	29.7 Å²	29.7	11%	0.109	14%	0.138	C	C	.	.			trans	-69.6	124.1	174.1	174.1	0	0	0	0	108.9	S676 Y888 I889 E894 L895 F925 P927	S676-V892 WeakPolarHBondContact CB-O 3.28Å; S676-V892 PolarHBondContact OG-O 3.42Å; Y888-V892 HydrophobicContact CD1-CG2 4.06Å; Y888-V892 HydrophobicContact CE1-CG2 3.65Å; Y888-V892 PolarHBondContact O-N 3.33Å; I889-V892 PolarHBondContact O-N 3.16Å; V892-E894 WeakPolarHBondContact CG1-O 3.2Å; V892-L895 HydrophobicContact CG1-CD2 4.24Å; V892-F925 HydrophobicContact CG2-CE1 4.28Å; V892-P927 HydrophobicContact CG1-CB 3.92Å; V892-P927 HydrophobicContact CG2-CB 4.43Å
893	S	81.3	Confident	86.1	Confident	39 Å²	39	30 Å²	30	27%	0.273	14%	0.14	S	C	.	.			trans	-93.6	-33.9	177.8	46.8	0	0	0	0	113	K782 D786 M891	K782-S893 PolarHBondContact NZ-OG 3.26Å; D786-S893 WeakPolarHBondContact OD2-CB 3.36Å; M891-S893 PolarHBondContact O-N 3.04Å
894	E	83.1	Confident	86.2	Confident	24 Å²	24	24.9 Å²	24.9	11%	0.112	12%	0.121	C	C	.	.			trans	-137	138.4	-176.5	-164.5	-154.5	163.9	0	0	112.3	Y755 K759 V892 N896	Y755-E894 PolarHBondContact OH-OE2 3.49Å; K759-E894 IonicContact NZ-OE1 3.49Å; K759-E894 PolarHBondContact NZ-OE1 3.03Å; K759-E894 IonicContact NZ-OE2 3.83Å; K759-E894 PolarHBondContact NZ-OE2 3.27Å; V892-E894 WeakPolarHBondContact CG1-O 3.2Å; E894-N896 PolarHBondContact O-N 3.25Å; E894-N896 PolarHBondContact OE1-OD1 2.95Å; E894-N896 VanDerWaalsContact OE2-CG 3.29Å; E894-N896 PolarHBondContact OE2-ND2 3.19Å; E894-N896 PolarHBondContact OE2-OD1 3.37Å
895	L	88	Confident	86.2	Confident	6 Å²	6	17.9 Å²	17.9	3%	0.031	10%	0.095	C	C	.	.			trans	-88.7	86.1	166.9	-55.9	-172.5	0	0	0	109.7	R411 V861 H862 L865 V892 S899 F925	R411-L895 PolarHBondContact NH1-O 3.12Å; V861-L895 HydrophobicContact CB-CD1 4.23Å; V861-L895 HydrophobicContact CG1-CD1 3.93Å; H862-L895 HydrophobicContact CB-CD1 4.48Å; H862-L895 WeakPolarHBondContact ND1-CD1 3.26Å; L865-L895 HydrophobicContact CD2-CD1 4.31Å; L865-L895 HydrophobicContact CD2-CD2 4.06Å; V892-L895 HydrophobicContact CG1-CD2 4.24Å; L895-S899 WeakPolarHBondContact CA-OG 2.75Å; L895-F925 HydrophobicContact CD2-CE2 3.86Å; L895-F925 HydrophobicContact CD2-CZ 3.56Å
896	N	88.1	Confident	86.1	Confident	12 Å²	12	18 Å²	18	6%	0.064	9%	0.093	C	C	.	.			trans	-63.4	171.3	-176.6	-84.6	-94.5	0	0	0	113.5	R411 K759 E894 S899 P927 V929	R411-N896 WeakPolarHBondContact CD-O 3.42Å; K759-N896 PolarHBondContact NZ-OD1 3.27Å; E894-N896 PolarHBondContact O-N 3.25Å; E894-N896 PolarHBondContact OE1-OD1 2.95Å; E894-N896 VanDerWaalsContact OE2-CG 3.29Å; E894-N896 PolarHBondContact OE2-ND2 3.19Å; E894-N896 PolarHBondContact OE2-OD1 3.37Å; N896-S899 PolarHBondContact N-OG 2.98Å; N896-S899 VanDerWaalsContact O-CB 3.3Å; N896-S899 WeakPolarHBondContact O-CB 3.16Å; N896-S899 PolarHBondContact O-N 2.79Å; N896-S899 VanDerWaalsContact O-N 3.12Å; N896-S899 PolarHBondContact O-OG 3.45Å; N896-P927 WeakPolarHBondContact CA-O 3.36Å; N896-P927 VanDerWaalsContact CB-O 3.25Å; N896-P927 WeakPolarHBondContact CB-O 3.37Å; N896-P927 PolarHBondContact N-O 3.3Å; N896-V929 WeakPolarHBondContact CB-O 3.47Å; N896-V929 VanDerWaalsContact CG-O 3.29Å; N896-V929 PolarHBondContact OD1-O 2.94Å
897	Y	90.3	Very high	85.6	Confident	12 Å²	12	17.5 Å²	17.5	5%	0.047	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	147.7	174	-62.7	-57.1	0	0	0	111.8	H412 G413 D414 R415 S899 G928 V929	H412-Y897 AromaticContact CE1-CE1 3.94Å; G413-Y897 WeakPolarHBondContact O-CD1 3.44Å; D414-Y897 HydrophobicContact CB-CD2 3.79Å; D414-Y897 HydrophobicContact CB-CE2 3.86Å; D414-Y897 HydrophobicContact CB-CG 4.32Å; D414-Y897 WeakPolarHBondContact OD1-CE2 3.46Å; R415-Y897 HydrophobicContact CG-CE1 3.91Å; R415-Y897 PolarHBondContact NH1-OH 2.88Å; R415-Y897 PolarHBondContact O-OH 2.71Å; Y897-S899 PolarHBondContact O-N 2.84Å; Y897-S899 VanDerWaalsContact O-N 3.16Å; Y897-G928 WeakPolarHBondContact O-CA 3.2Å; Y897-V929 PolarHBondContact O-N 2.84Å
898	M	90.9	Very high	85	Confident	2 Å²	2	16 Å²	16	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	2.3	-172.9	-53.5	-56.3	-52.2	0	0	117	I410 R411 H412 G413 Q549 A550 L553 T602 F606 Q900 V929	I410-M898 HydrophobicContact CG2-CE 3.82Å; R411-M898 WeakPolarHBondContact O-CA 3.41Å; H412-M898 PolarHBondContact O-N 3.01Å; G413-M898 WeakPolarHBondContact CA-SD 3.4Å; Q549-M898 HydrophobicContact CB-CG 3.91Å; A550-M898 HydrophobicContact CB-CE 4.07Å; A550-M898 HydrophobicContact CB-SD 4.06Å; L553-M898 HydrophobicContact CB-CE 4.2Å; L553-M898 HydrophobicContact CD2-CB 4.14Å; L553-M898 HydrophobicContact CD2-CE 3.64Å; T602-M898 HydrophobicContact CG2-CE 3.84Å; T602-M898 HydrophobicContact CG2-SD 3.56Å; T602-M898 VanDerWaalsContact CG2-SD 3.56Å; F606-M898 HydrophobicContact CD2-CE 4.32Å; M898-Q900 PolarHBondContact O-N 3.17Å; M898-Q900 PolarHBondContact O-OE1 3.36Å; M898-V929 HydrophobicContact CB-CG2 4.15Å; M898-V929 HydrophobicContact CG-CG2 4.18Å
899	S	91.8	Very high	84.1	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.			trans	-41.9	130.3	174.9	-73.7	0	0	0	0	112.5	I410 R411 L895 N896 Y897 P927	I410-S899 CarbonylContact C-O 3.46Å; I410-S899 WeakPolarHBondContact CA-O 3.37Å; R411-S899 PolarHBondContact N-O 3.35Å; L895-S899 WeakPolarHBondContact CA-OG 2.75Å; N896-S899 PolarHBondContact N-OG 2.98Å; N896-S899 VanDerWaalsContact O-CB 3.3Å; N896-S899 WeakPolarHBondContact O-CB 3.16Å; N896-S899 PolarHBondContact O-N 2.79Å; N896-S899 VanDerWaalsContact O-N 3.12Å; N896-S899 PolarHBondContact O-OG 3.45Å; Y897-S899 PolarHBondContact O-N 2.84Å; Y897-S899 VanDerWaalsContact O-N 3.16Å; S899-P927 PolarHBondContact OG-O 3.24Å
900	Q	91.5	Very high	83.3	Confident	21 Å²	21	23.5 Å²	23.5	10%	0.098	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.9	-172.9	70.4	-83	24.5	0	0	113.7	V409 I410 F557 M898 V902 F925 S926	V409-Q900 VanDerWaalsContact O-CA 3.32Å; V409-Q900 WeakPolarHBondContact O-CA 3.18Å; I410-Q900 HydrophobicContact CG1-CB 4.03Å; F557-Q900 HydrophobicContact CE2-CG 4.24Å; F557-Q900 HydrophobicContact CZ-CG 4.41Å; M898-Q900 PolarHBondContact O-N 3.17Å; M898-Q900 PolarHBondContact O-OE1 3.36Å; Q900-V902 HydrophobicContact CG-CG2 4.21Å; Q900-F925 CarbonylContact O-C 3.56Å; Q900-F925 WeakPolarHBondContact O-CA 3.4Å; Q900-S926 VanDerWaalsContact CD-CB 3.42Å; Q900-S926 PolarHBondContact N-O 2.72Å; Q900-S926 PolarHBondContact O-N 3.1Å
901	I	90.8	Very high	82.4	Confident	5 Å²	5	26.3 Å²	26.3	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.3	165.2	-63.1	164	0	0	0	106.4	A408 V409 V861 L864 L865 L868 H924 F925	A408-I901 CarbonylContact C-O 3.52Å; A408-I901 VanDerWaalsContact CA-O 3.29Å; A408-I901 WeakPolarHBondContact CA-O 3.35Å; V409-I901 PolarHBondContact N-O 2.98Å; V409-I901 PolarHBondContact O-N 3.02Å; V861-I901 HydrophobicContact CG1-CD1 4.01Å; V861-I901 HydrophobicContact CG1-CG1 4.48Å; L864-I901 HydrophobicContact CB-CD1 4.22Å; L864-I901 HydrophobicContact CD2-CD1 3.87Å; L864-I901 HydrophobicContact CD2-CG2 4.44Å; L864-I901 HydrophobicContact CG-CD1 3.93Å; L865-I901 HydrophobicContact CB-CD1 4.3Å; L865-I901 HydrophobicContact CD1-CD1 4.07Å; L865-I901 HydrophobicContact CD1-CG1 4.41Å; L868-I901 HydrophobicContact CD1-CG2 4.21Å; I901-H924 CarbonylContact C-O 3.5Å; I901-H924 WeakPolarHBondContact CA-O 3.34Å; I901-F925 HydrophobicContact CG1-CD2 3.83Å
902	V	88.5	Confident	81.7	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.4	-179.1	-169.2	0	0	0	0	109.6	V406 V407 A408 F557 M560 Q900 M904 L923 H924	V406-V902 HydrophobicContact CG1-CG1 3.9Å; V407-V902 CarbonylContact O-C 3.54Å; V407-V902 VanDerWaalsContact O-CA 3.31Å; V407-V902 WeakPolarHBondContact O-CA 3.48Å; V407-V902 WeakPolarHBondContact O-CG1 3.2Å; A408-V902 HydrophobicContact CB-CG1 4.32Å; A408-V902 HydrophobicContact CB-CG2 4.03Å; F557-V902 HydrophobicContact CE1-CG2 4.21Å; F557-V902 HydrophobicContact CZ-CG2 3.68Å; M560-V902 HydrophobicContact CE-CG1 4.21Å; Q900-V902 HydrophobicContact CG-CG2 4.21Å; V902-M904 HydrophobicContact CG1-CG 4.1Å; V902-L923 WeakPolarHBondContact O-CA 3.29Å; V902-H924 HydrophobicContact CB-CB 4.21Å; V902-H924 PolarHBondContact N-O 3.24Å; V902-H924 PolarHBondContact O-N 3.16Å
903	I	86.4	Confident	80.8	Confident	12 Å²	12	30.7 Å²	30.7	6%	0.062	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.7	176.2	-43.1	-175.6	0	0	0	107.2	V406 V407 I815 L819 V921 E922 L923 L1132	V406-I903 WeakPolarHBondContact CA-O 3.36Å; V407-I903 HydrophobicContact CB-CB 4.17Å; V407-I903 HydrophobicContact CB-CG1 4.47Å; V407-I903 PolarHBondContact N-O 3.01Å; V407-I903 PolarHBondContact O-N 3.22Å; I815-I903 HydrophobicContact CG2-CD1 3.9Å; L819-I903 HydrophobicContact CD1-CG2 4.5Å; I903-V921 HydrophobicContact CG2-CG1 3.56Å; I903-E922 CarbonylContact C-O 3.2Å; I903-E922 WeakPolarHBondContact CA-O 3.39Å; I903-L923 HydrophobicContact CB-CD2 4.08Å; I903-L923 HydrophobicContact CD1-CD2 4.12Å; I903-L923 HydrophobicContact CG1-CD2 3.63Å; I903-L923 HydrophobicContact CG2-CD2 3.86Å; I903-L1132 HydrophobicContact CG2-CD1 4.25Å
904	M	81.9	Confident	80.1	Confident	11 Å²	11	34.9 Å²	34.9	5%	0.054	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.3	176.7	-62.3	-176.3	63.3	0	0	109.4	L403 C405 V406 V902 Y906 V921 E922	L403-M904 HydrophobicContact CD1-CB 4.2Å; L403-M904 HydrophobicContact CD1-CE 3.7Å; L403-M904 HydrophobicContact CD2-CE 3.97Å; C405-M904 CarbonylContact O-C 3.53Å; C405-M904 WeakPolarHBondContact O-CA 3.26Å; V406-M904 HydrophobicContact CG1-CG 4.33Å; V406-M904 HydrophobicContact CG2-CE 4.16Å; V406-M904 HydrophobicContact CG2-CG 4.23Å; V902-M904 HydrophobicContact CG1-CG 4.1Å; M904-Y906 HydrophobicContact CB-CE2 3.73Å; M904-Y906 WeakPolarHBondContact CE-OH 3.49Å; M904-V921 CarbonylContact O-C 3.56Å; M904-V921 WeakPolarHBondContact O-CA 3.47Å; M904-E922 HydrophobicContact CB-CB 4.42Å; M904-E922 PolarHBondContact N-O 2.99Å; M904-E922 PolarHBondContact O-N 3Å
905	L	80.2	Confident	79.4	Confident	10 Å²	10	35.7 Å²	35.7	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.3	176.4	173	67	0	0	0	109.2	R404 C405 L819 N822 F919 V921	R404-L905 HydrophobicContact CB-CG 4.43Å; R404-L905 PolarHBondContact N-O 3.17Å; C405-L905 HydrophobicContact CB-CB 4.07Å; C405-L905 HydrophobicContact CB-CD2 4.33Å; C405-L905 PolarHBondContact N-O 2.8Å; C405-L905 PolarHBondContact O-N 3.13Å; L819-L905 HydrophobicContact CD2-CB 4.17Å; L819-L905 HydrophobicContact CD2-CD2 4.26Å; N822-L905 HydrophobicContact CB-CD2 4.07Å; L905-F919 HydrophobicContact CD1-CB 4.32Å; L905-F919 HydrophobicContact CD1-CD1 3.96Å; L905-F919 HydrophobicContact CD1-CG 4.49Å; L905-V921 HydrophobicContact CD1-CG2 3.58Å
906	Y	77.4	Confident	78.1	Confident	14 Å²	14	41.2 Å²	41.2	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153.8	174	-53.2	-99.6	0	0	0	110.8	V393 T395 E402 L403 M904 F919 H920 E922	V393-Y906 HydrophobicContact CG2-CD1 4.13Å; V393-Y906 HydrophobicContact CG2-CE1 3.83Å; T395-Y906 HydrophobicContact CG2-CD1 4.44Å; T395-Y906 HydrophobicContact CG2-CG 4.34Å; E402-Y906 CarbonylContact O-C 3.58Å; E402-Y906 WeakPolarHBondContact O-CA 3.46Å; L403-Y906 HydrophobicContact CB-CD1 4.09Å; L403-Y906 HydrophobicContact CB-CE1 4.18Å; L403-Y906 HydrophobicContact CD1-CD1 4.12Å; L403-Y906 HydrophobicContact CD1-CE1 3.92Å; M904-Y906 HydrophobicContact CB-CE2 3.73Å; M904-Y906 WeakPolarHBondContact CE-OH 3.49Å; Y906-F919 WeakPolarHBondContact O-CA 3.38Å; Y906-H920 AromaticContact CD2-CD2 3.7Å; Y906-H920 PolarHBondContact N-O 3.24Å; Y906-H920 PolarHBondContact O-N 3.38Å; Y906-E922 HydrophobicContact CD2-CG 4.3Å; Y906-E922 HydrophobicContact CE2-CB 4.11Å; Y906-E922 VanDerWaalsContact CE2-CD 3.4Å; Y906-E922 HydrophobicContact CE2-CG 3.64Å; Y906-E922 VanDerWaalsContact CE2-OE2 3.24Å; Y906-E922 WeakPolarHBondContact CE2-OE2 3.39Å; Y906-E922 PolarHBondContact OH-OE2 3.4Å
907	E	74.6	Confident	77.2	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.5	179.2	-175.4	175.9	168.1	0	0	110.9	E402 R404 P909 R918 F919	E402-E907 PolarHBondContact N-O 3.34Å; E402-E907 PolarHBondContact O-N 3.17Å; R404-E907 HydrophobicContact CG-CB 3.62Å; R404-E907 IonicContact CZ-OE2 3.76Å; R404-E907 VanDerWaalsContact CZ-OE2 3.3Å; R404-E907 IonicContact NE-OE2 2.99Å; R404-E907 PolarHBondContact NE-OE2 3.02Å; R404-E907 IonicContact NH2-OE2 3.09Å; R404-E907 PolarHBondContact NH2-OE2 3.49Å; E907-P909 WeakPolarHBondContact O-CD 3.41Å; E907-R918 CarbonylContact C-O 3.57Å; E907-R918 VanDerWaalsContact CA-O 3.28Å; E907-R918 WeakPolarHBondContact CA-O 3.29Å; E907-R918 HydrophobicContact CG-CG 4.06Å; E907-R918 IonicContact OE1-CZ 3.31Å; E907-R918 IonicContact OE1-NE 2.72Å; E907-R918 PolarHBondContact OE1-NE 3.15Å; E907-R918 IonicContact OE1-NH2 3.57Å; E907-R918 PolarHBondContact OE1-NH2 3.01Å; E907-F919 HydrophobicContact CB-CD1 3.97Å; E907-F919 HydrophobicContact CB-CE1 3.89Å; E907-F919 HydrophobicContact CG-CD1 4Å; E907-F919 HydrophobicContact CG-CE1 3.6Å; E907-F919 HydrophobicContact CG-CZ 4.24Å; E907-F919 WeakPolarHBondContact OE2-CE1 3.49Å
908	D	72.5	Confident	76.3	Confident	24 Å²	24	45.3 Å²	45.3	13%	0.128	25%	0.249	C	C	.	.			trans	-104.2	99.2	166.2	179.6	-5.2	0	0	0	108.3	M401 T910 K911 R918	M401-D908 HydrophobicContact CE-CB 3.83Å; M401-D908 HydrophobicContact CG-CB 4.23Å; D908-T910 PolarHBondContact O-N 3.36Å; D908-T910 VanDerWaalsContact O-N 3.14Å; D908-T910 WeakPolarHBondContact OD1-CB 3.36Å; D908-T910 PolarHBondContact OD1-N 2.87Å; D908-T910 PolarHBondContact OD1-OG1 2.94Å; D908-T910 PolarHBondContact OD2-OG1 3.05Å; D908-K911 HydrophobicContact CB-CG 3.96Å; D908-K911 PolarHBondContact O-N 3.47Å; D908-K911 WeakPolarHBondContact OD2-CE 3.49Å; D908-K911 WeakPolarHBondContact OD2-CG 3.3Å; D908-R918 PolarHBondContact N-O 3.41Å
909	P	65.7	Low	75.6	Confident	73 Å²	73	47.3 Å²	47.3	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-0.7	-178.3	31.3	-36.3	0	0	0	113.5	E402 E907 K911	E402-P909 HydrophobicContact CG-CG 4.41Å; E907-P909 WeakPolarHBondContact O-CD 3.41Å; P909-K911 VanDerWaalsContact C-N 3.35Å
910	T	67.9	Low	74.9	Confident	121 Å²	121	47.8 Å²	47.8	74%	0.742	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.3	173.1	75.2	0	0	0	0	113.1	D908	D908-T910 PolarHBondContact O-N 3.36Å; D908-T910 VanDerWaalsContact O-N 3.14Å; D908-T910 WeakPolarHBondContact OD1-CB 3.36Å; D908-T910 PolarHBondContact OD1-N 2.87Å; D908-T910 PolarHBondContact OD1-OG1 2.94Å; D908-T910 PolarHBondContact OD2-OG1 3.05Å
911	K	69.1	Low	74.3	Confident	64 Å²	64	47.5 Å²	47.5	28%	0.278	26%	0.26	S	S	.	.	S	Bend	trans	-90.6	148.5	178.1	-61.7	-70.8	171.5	168.2	0	111	D908 P909 E917 R918	D908-K911 HydrophobicContact CB-CG 3.96Å; D908-K911 PolarHBondContact O-N 3.47Å; D908-K911 WeakPolarHBondContact OD2-CE 3.49Å; D908-K911 WeakPolarHBondContact OD2-CG 3.3Å; P909-K911 VanDerWaalsContact C-N 3.35Å; K911-E917 HydrophobicContact CD-CB 4.02Å; K911-E917 WeakPolarHBondContact CE-OE2 3.28Å; K911-E917 HydrophobicContact CG-CB 4.29Å; K911-E917 IonicContact NZ-OE2 2.67Å; K911-E917 PolarHBondContact NZ-OE2 2.99Å; K911-R918 HydrophobicContact CB-CB 3.93Å; K911-R918 HydrophobicContact CB-CG 4.46Å
912	D	69.8	Low	73.7	Confident	93 Å²	93	47.3 Å²	47.3	50%	0.497	26%	0.259	S	S	.	.			trans	-54.6	142.2	175	-178.1	-87.5	0	0	0	111.3	T914 S915	D912-T914 PolarHBondContact O-N 3.07Å; D912-T914 WeakPolarHBondContact OD1-CB 3.34Å; D912-T914 PolarHBondContact OD1-N 2.84Å; D912-T914 PolarHBondContact OD1-OG1 2.83Å; D912-S915 VanDerWaalsContact O-CB 3.23Å; D912-S915 WeakPolarHBondContact O-CB 3.19Å; D912-S915 PolarHBondContact O-N 3.44Å
913	P	66.6	Low	73.4	Confident	93 Å²	93	47.6 Å²	47.6	60%	0.604	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.4	179.8	-31.4	38.1	0	0	0	116.3	R918	P913-R918 VanDerWaalsContact CA-NH1 3.33Å
914	T	67	Low	73.1	Confident	127 Å²	127	48 Å²	48	78%	0.779	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.3	178.5	67.7	0	0	0	0	114.4	D912	D912-T914 PolarHBondContact O-N 3.07Å; D912-T914 WeakPolarHBondContact OD1-CB 3.34Å; D912-T914 PolarHBondContact OD1-N 2.84Å; D912-T914 PolarHBondContact OD1-OG1 2.83Å
915	S	67.6	Low	73.3	Confident	41 Å²	41	47.8 Å²	47.8	29%	0.287	26%	0.261	S	S	.	.			trans	-73.3	129.5	-175.2	-172.1	0	0	0	0	113.1	D912 E917 R918	D912-S915 VanDerWaalsContact O-CB 3.23Å; D912-S915 WeakPolarHBondContact O-CB 3.19Å; D912-S915 PolarHBondContact O-N 3.44Å; S915-E917 PolarHBondContact O-N 2.94Å; S915-E917 VanDerWaalsContact O-N 3.08Å; S915-E917 PolarHBondContact OG-N 2.91Å; S915-R918 VanDerWaalsContact O-CB 3.29Å; S915-R918 WeakPolarHBondContact O-CB 3.5Å; S915-R918 PolarHBondContact O-N 2.89Å
916	E	62.5	Low	73.7	Confident	121 Å²	121	47.5 Å²	47.5	57%	0.565	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-12	169.7	-60.7	-169.4	173.6	0	0	113.9
917	E	68.5	Low	74	Confident	73 Å²	73	47 Å²	47	34%	0.341	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.1	172.1	-70.5	-145.2	118.3	0	0	113.9	K399 K911 S915 F919	K399-E917 IonicContact NZ-OE1 3.22Å; K399-E917 PolarHBondContact NZ-OE1 3.49Å; K399-E917 IonicContact NZ-OE2 3.5Å; K911-E917 HydrophobicContact CD-CB 4.02Å; K911-E917 WeakPolarHBondContact CE-OE2 3.28Å; K911-E917 HydrophobicContact CG-CB 4.29Å; K911-E917 IonicContact NZ-OE2 2.67Å; K911-E917 PolarHBondContact NZ-OE2 2.99Å; S915-E917 PolarHBondContact O-N 2.94Å; S915-E917 VanDerWaalsContact O-N 3.08Å; S915-E917 PolarHBondContact OG-N 2.91Å; E917-F919 VanDerWaalsContact C-N 3.33Å; E917-F919 PolarHBondContact O-N 3.04Å
918	R	71.1	Confident	74.6	Confident	37 Å²	37	47.2 Å²	47.2	14%	0.14	26%	0.262	C	S	.	.	S	Bend	trans	-65.5	-33.7	-176.2	-179.4	173.9	174.8	-164.5	7.4	112.8	E907 D908 K911 P913 S915	E907-R918 CarbonylContact C-O 3.57Å; E907-R918 VanDerWaalsContact CA-O 3.28Å; E907-R918 WeakPolarHBondContact CA-O 3.29Å; E907-R918 HydrophobicContact CG-CG 4.06Å; E907-R918 IonicContact OE1-CZ 3.31Å; E907-R918 IonicContact OE1-NE 2.72Å; E907-R918 PolarHBondContact OE1-NE 3.15Å; E907-R918 IonicContact OE1-NH2 3.57Å; E907-R918 PolarHBondContact OE1-NH2 3.01Å; D908-R918 PolarHBondContact N-O 3.41Å; K911-R918 HydrophobicContact CB-CB 3.93Å; K911-R918 HydrophobicContact CB-CG 4.46Å; P913-R918 VanDerWaalsContact CA-NH1 3.33Å; S915-R918 VanDerWaalsContact O-CB 3.29Å; S915-R918 WeakPolarHBondContact O-CB 3.5Å; S915-R918 PolarHBondContact O-N 2.89Å
919	F	75.9	Confident	75	Confident	44 Å²	44	48.8 Å²	48.8	19%	0.193	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.7	-175.5	-65	-73.6	0	0	0	112.6	I823 L905 Y906 E907 E917	I823-F919 HydrophobicContact CB-CZ 4.43Å; I823-F919 HydrophobicContact CD1-CD2 4.45Å; I823-F919 HydrophobicContact CD1-CE1 4.42Å; I823-F919 HydrophobicContact CD1-CE2 3.94Å; I823-F919 HydrophobicContact CD1-CZ 3.93Å; I823-F919 HydrophobicContact CG1-CE1 4.17Å; I823-F919 HydrophobicContact CG1-CE2 4.27Å; I823-F919 HydrophobicContact CG1-CZ 3.76Å; I823-F919 HydrophobicContact CG2-CE2 4.31Å; I823-F919 HydrophobicContact CG2-CZ 4.1Å; L905-F919 HydrophobicContact CD1-CB 4.32Å; L905-F919 HydrophobicContact CD1-CD1 3.96Å; L905-F919 HydrophobicContact CD1-CG 4.49Å; Y906-F919 WeakPolarHBondContact O-CA 3.38Å; E907-F919 HydrophobicContact CB-CD1 3.97Å; E907-F919 HydrophobicContact CB-CE1 3.89Å; E907-F919 HydrophobicContact CG-CD1 4Å; E907-F919 HydrophobicContact CG-CE1 3.6Å; E907-F919 HydrophobicContact CG-CZ 4.24Å; E907-F919 WeakPolarHBondContact OE2-CE1 3.49Å; E917-F919 VanDerWaalsContact C-N 3.33Å; E917-F919 PolarHBondContact O-N 3.04Å
920	H	77.2	Confident	75.3	Confident	11 Å²	11	49 Å²	49	5%	0.051	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.1	174.5	169.2	53.8	0	0	0	109.3	T395 M401 Y906 E922	T395-H920 VanDerWaalsContact CG2-CD2 3.48Å; T395-H920 WeakPolarHBondContact CG2-CD2 3.41Å; M401-H920 HydrophobicContact CE-CB 3.67Å; M401-H920 HydrophobicContact SD-CB 3.79Å; Y906-H920 AromaticContact CD2-CD2 3.7Å; Y906-H920 PolarHBondContact N-O 3.24Å; Y906-H920 PolarHBondContact O-N 3.38Å; H920-E922 IonicContact CD2-OE1 2.76Å; H920-E922 IonicContact CE1-OE1 2.74Å; H920-E922 WeakPolarHBondContact NE2-CG 3.37Å; H920-E922 IonicContact NE2-OE1 3.67Å; H920-E922 PolarHBondContact NE2-OE1 2.9Å
921	V	79.1	Confident	75.1	Confident	14 Å²	14	43.6 Å²	43.6	9%	0.085	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.6	-178.3	179.6	0	0	0	0	110.8	I903 M904 L905 I1128 L1132	I903-V921 HydrophobicContact CG2-CG1 3.56Å; M904-V921 CarbonylContact O-C 3.56Å; M904-V921 WeakPolarHBondContact O-CA 3.47Å; L905-V921 HydrophobicContact CD1-CG2 3.58Å; V921-I1128 HydrophobicContact CB-CB 4.21Å; V921-I1128 HydrophobicContact CG1-CD1 4.2Å; V921-I1128 PolarHBondContact O-N 2.65Å; V921-L1132 HydrophobicContact CG1-CD1 4.08Å
922	E	78.8	Confident	74.6	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.9	175.2	-59.7	-178.8	162	0	0	110.5	T396 I903 M904 Y906 H920 H924 F1126	T396-E922 VanDerWaalsContact CB-OE1 3.31Å; T396-E922 WeakPolarHBondContact CB-OE1 3.39Å; T396-E922 WeakPolarHBondContact CG2-OE1 3.36Å; T396-E922 PolarHBondContact N-OE1 2.83Å; T396-E922 PolarHBondContact OG1-OE1 3.3Å; I903-E922 CarbonylContact C-O 3.2Å; I903-E922 WeakPolarHBondContact CA-O 3.39Å; M904-E922 HydrophobicContact CB-CB 4.42Å; M904-E922 PolarHBondContact N-O 2.99Å; M904-E922 PolarHBondContact O-N 3Å; Y906-E922 HydrophobicContact CD2-CG 4.3Å; Y906-E922 HydrophobicContact CE2-CB 4.11Å; Y906-E922 VanDerWaalsContact CE2-CD 3.4Å; Y906-E922 HydrophobicContact CE2-CG 3.64Å; Y906-E922 VanDerWaalsContact CE2-OE2 3.24Å; Y906-E922 WeakPolarHBondContact CE2-OE2 3.39Å; Y906-E922 PolarHBondContact OH-OE2 3.4Å; H920-E922 IonicContact CD2-OE1 2.76Å; H920-E922 IonicContact CE1-OE1 2.74Å; H920-E922 WeakPolarHBondContact NE2-CG 3.37Å; H920-E922 IonicContact NE2-OE1 3.67Å; H920-E922 PolarHBondContact NE2-OE1 2.9Å; E922-H924 IonicContact OE2-NE2 2.74Å; E922-H924 PolarHBondContact OE2-NE2 2.92Å; E922-F1126 WeakPolarHBondContact CA-O 3.43Å
923	L	81.3	Confident	74.1	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.9	167.3	-64.5	-177.6	0	0	0	110	L868 L873 V902 I903 W1124 F1126 I1128	L868-L923 HydrophobicContact CD2-CD1 4.31Å; L873-L923 HydrophobicContact CD2-CD1 4.17Å; V902-L923 WeakPolarHBondContact O-CA 3.29Å; I903-L923 HydrophobicContact CB-CD2 4.08Å; I903-L923 HydrophobicContact CD1-CD2 4.12Å; I903-L923 HydrophobicContact CG1-CD2 3.63Å; I903-L923 HydrophobicContact CG2-CD2 3.86Å; L923-W1124 CarbonylContact O-C 3.57Å; L923-W1124 VanDerWaalsContact O-C 3.22Å; L923-W1124 WeakPolarHBondContact O-CB 3.45Å; L923-F1126 HydrophobicContact CB-CB 3.93Å; L923-F1126 HydrophobicContact CG-CB 4.34Å; L923-I1128 HydrophobicContact CD1-CD1 3.76Å; L923-I1128 HydrophobicContact CD2-CD1 4.26Å; L923-I1128 HydrophobicContact CG-CD1 3.78Å
924	H	81.6	Confident	73.6	Confident	21 Å²	21	40.7 Å²	40.7	10%	0.097	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.6	170	-50.5	-75.7	0	0	0	110.3	I901 V902 E922 W1124 F1125	I901-H924 CarbonylContact C-O 3.5Å; I901-H924 WeakPolarHBondContact CA-O 3.34Å; V902-H924 HydrophobicContact CB-CB 4.21Å; V902-H924 PolarHBondContact N-O 3.24Å; V902-H924 PolarHBondContact O-N 3.16Å; E922-H924 IonicContact OE2-NE2 2.74Å; E922-H924 PolarHBondContact OE2-NE2 2.92Å; H924-W1124 PolarHBondContact CE1-O 3.01Å; H924-W1124 PolarHBondContact ND1-O 3.4Å; H924-F1125 AromaticContact NE2-CD1 3.61Å; H924-F1125 AromaticContact NE2-CE1 3.75Å
925	F	86.2	Confident	73	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.9	170.6	163.5	-95	0	0	0	109.8	L865 Y888 V892 L895 Q900 I901 P927 W1124	L865-F925 HydrophobicContact CD1-CD2 3.82Å; L865-F925 HydrophobicContact CD1-CE2 4.06Å; L865-F925 HydrophobicContact CD1-CG 4.28Å; L865-F925 HydrophobicContact CD2-CE2 4.07Å; L865-F925 HydrophobicContact CD2-CZ 4.27Å; Y888-F925 HydrophobicContact CE1-CD1 4.23Å; Y888-F925 HydrophobicContact CE1-CE1 4.17Å; V892-F925 HydrophobicContact CG2-CE1 4.28Å; L895-F925 HydrophobicContact CD2-CE2 3.86Å; L895-F925 HydrophobicContact CD2-CZ 3.56Å; Q900-F925 CarbonylContact O-C 3.56Å; Q900-F925 WeakPolarHBondContact O-CA 3.4Å; I901-F925 HydrophobicContact CG1-CD2 3.83Å; F925-P927 HydrophobicContact CE1-CB 4.42Å; F925-P927 HydrophobicContact CZ-CB 4.28Å; F925-W1124 HydrophobicContact CB-CB 4.43Å; F925-W1124 HydrophobicContact CB-CD2 4.09Å; F925-W1124 HydrophobicContact CB-CG 3.82Å; F925-W1124 AromaticContact CD1-CD1 3.98Å; F925-W1124 AromaticContact CD1-NE1 3.64Å
926	S	87.3	Confident	72.2	Confident	4 Å²	4	47 Å²	47	3%	0.028	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.4	172.8	177	0	0	0	0	110.5	Q900 G928 S1122	Q900-S926 VanDerWaalsContact CD-CB 3.42Å; Q900-S926 PolarHBondContact N-O 2.72Å; Q900-S926 PolarHBondContact O-N 3.1Å; S926-G928 PolarHBondContact O-N 3.21Å; S926-G928 PolarHBondContact OG-N 2.72Å; S926-S1122 WeakPolarHBondContact CB-OG 3.42Å; S926-S1122 PolarHBondContact OG-OG 3.4Å
927	P	84.7	Confident	71.9	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.013	23%	0.229	C	C	.	.			trans	-76.3	8.5	179.3	34.9	-38.3	0	0	0	113.9	V892 N896 S899 F925 L937	V892-P927 HydrophobicContact CG1-CB 3.92Å; V892-P927 HydrophobicContact CG2-CB 4.43Å; N896-P927 WeakPolarHBondContact CA-O 3.36Å; N896-P927 VanDerWaalsContact CB-O 3.25Å; N896-P927 WeakPolarHBondContact CB-O 3.37Å; N896-P927 PolarHBondContact N-O 3.3Å; S899-P927 PolarHBondContact OG-O 3.24Å; F925-P927 HydrophobicContact CE1-CB 4.42Å; F925-P927 HydrophobicContact CZ-CB 4.28Å; P927-L937 HydrophobicContact CG-CD1 3.7Å; P927-L937 HydrophobicContact CG-CD2 4.03Å
928	G	86.3	Confident	71.2	Confident	11 Å²	11	42.4 Å²	42.4	11%	0.113	22%	0.223	C	C	.	.			trans	87.7	-159	175.9	0	0	0	0	0	114.6	Y897 S926	Y897-G928 WeakPolarHBondContact O-CA 3.2Å; S926-G928 PolarHBondContact O-N 3.21Å; S926-G928 PolarHBondContact OG-N 2.72Å
929	V	81.4	Confident	70.2	Confident	58 Å²	58	46.2 Å²	46.2	35%	0.352	25%	0.252	S	S	.	.	S	Bend	trans	-77.7	127.1	-175	-179.1	0	0	0	0	111.5	Q549 N896 Y897 M898	Q549-V929 HydrophobicContact CG-CG2 4.21Å; N896-V929 WeakPolarHBondContact CB-O 3.47Å; N896-V929 VanDerWaalsContact CG-O 3.29Å; N896-V929 PolarHBondContact OD1-O 2.94Å; Y897-V929 PolarHBondContact O-N 2.84Å; M898-V929 HydrophobicContact CB-CG2 4.15Å; M898-V929 HydrophobicContact CG-CG2 4.18Å
930	N	71.8	Confident	69	Low	76 Å²	76	44.8 Å²	44.8	41%	0.406	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-59.5	136.5	177.6	-58.8	25.4	0	0	0	111.9	K935 L937	N930-K935 PolarHBondContact ND2-O 3.4Å; N930-L937 WeakPolarHBondContact OD1-CD1 3.35Å
931	C	64.1	Low	67.4	Low	8 Å²	8	48.6 Å²	48.6	5%	0.054	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-69.7	153	173	-165.4	0	0	0	0	111.5	V933	C931-V933 VanDerWaalsContact C-N 3.28Å; C931-V933 PolarHBondContact O-N 3.43Å
932	C	58.8	Low	65.5	Low	58 Å²	58	48.7 Å²	48.7	39%	0.392	28%	0.279	S	S	.	.	S	Bend	trans	-57.5	-34.3	-174.9	52.5	0	0	0	0	114.8	K935	C932-K935 WeakPolarHBondContact O-CE 3.23Å
933	V	57.9	Low	63.4	Low	34 Å²	34	52.8 Å²	52.8	21%	0.206	30%	0.297	C	S	.	.	S	Bend	trans	-75.3	-65.6	178.5	179.1	0	0	0	0	111.4	L762 E775 Y778 C931 K935	L762-V933 HydrophobicContact CD1-CG2 3.8Å; E775-V933 HydrophobicContact CG-CG1 3.85Å; E775-V933 HydrophobicContact CG-CG2 4.45Å; E775-V933 WeakPolarHBondContact OE1-CG1 3.35Å; Y778-V933 HydrophobicContact CD1-CB 4.12Å; Y778-V933 HydrophobicContact CD1-CG1 4.08Å; Y778-V933 HydrophobicContact CD1-CG2 4.02Å; Y778-V933 HydrophobicContact CE1-CB 3.96Å; Y778-V933 HydrophobicContact CE1-CG1 4.11Å; Y778-V933 HydrophobicContact CE1-CG2 4.26Å; Y778-V933 HydrophobicContact CG-CG2 4.43Å; C931-V933 VanDerWaalsContact C-N 3.28Å; C931-V933 PolarHBondContact O-N 3.43Å; V933-K935 PolarHBondContact O-N 2.91Å
934	Q	56.2	Low	61.3	Low	98 Å²	98	57.6 Å²	57.6	46%	0.458	31%	0.314	S	S	.	.			trans	-93.4	88.4	-165.9	-161.5	170.4	18.4	0	0	111.4	N936	Q934-N936 VanDerWaalsContact C-N 3.32Å; Q934-N936 PolarHBondContact O-N 3.35Å
935	K	54.2	Low	59	Low	156 Å²	156	61.1 Å²	61.1	68%	0.678	34%	0.339	S	S	*	.			trans	-75.5	-19.8	-175.7	-65.5	169.1	-171.9	166.5	0	113.9	N930 C932 V933 L937	N930-K935 PolarHBondContact ND2-O 3.4Å; C932-K935 WeakPolarHBondContact O-CE 3.23Å; V933-K935 PolarHBondContact O-N 2.91Å; K935-L937 PolarHBondContact O-N 2.83Å
936	N	52.5	Low	56.1	Low	144 Å²	144	69.2 Å²	69.2	77%	0.77	38%	0.377	S	S	*	.			trans	-92.2	88.3	-177.2	-60	-2.7	0	0	0	110.3	Q934	Q934-N936 VanDerWaalsContact C-N 3.32Å; Q934-N936 PolarHBondContact O-N 3.35Å
937	L	55.6	Low	53.2	Low	65 Å²	65	74 Å²	74	34%	0.34	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-67	158.4	157.5	-75.9	177.8	0	0	0	109.8	P927 N930 K935	P927-L937 HydrophobicContact CG-CD1 3.7Å; P927-L937 HydrophobicContact CG-CD2 4.03Å; N930-L937 WeakPolarHBondContact OD1-CD1 3.35Å; K935-L937 PolarHBondContact O-N 2.83Å
938	P	53.8	Low	50.5	Low	33 Å²	33	82.7 Å²	82.7	21%	0.214	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-54.6	127.5	161.9	-20.5	32.4	0	0	0	109.1	Y888 M891 G940	Y888-P938 HydrophobicContact CD2-CB 4.48Å; Y888-P938 HydrophobicContact CE2-CB 4.16Å; Y888-P938 WeakPolarHBondContact CE2-O 3.42Å; M891-P938 HydrophobicContact CB-CB 4.25Å; M891-P938 HydrophobicContact CB-CG 3.91Å; P938-G940 PolarHBondContact O-N 3.44Å; P938-G940 VanDerWaalsContact O-N 3.13Å
939	P	50.4	Low	47.8	Very low	116 Å²	116	85.4 Å²	85.4	75%	0.753	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-64.5	117	179.9	25.3	-32.9	0	0	0	109.5
940	G	49.5	Very low	45.2	Very low	14 Å²	14	90 Å²	90	14%	0.144	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-71.7	164.7	172.4	0	0	0	0	0	111.4	P938 G942	P938-G940 PolarHBondContact O-N 3.44Å; P938-G940 VanDerWaalsContact O-N 3.13Å; G940-G942 PolarHBondContact O-N 3.34Å
941	P	43.8	Very low	42.9	Very low	92 Å²	92	93 Å²	93	60%	0.597	52%	0.517	S	S	*	.	S	Bend	trans	-63.9	-5.8	177.1	26.5	-35.1	0	0	0	114.6	V1123	P941-V1123 WeakPolarHBondContact CD-O 3.18Å; P941-V1123 HydrophobicContact CG-CG1 4.31Å; P941-V1123 WeakPolarHBondContact CG-O 3.32Å
942	G	39.1	Very low	41.1	Very low	15 Å²	15	98.1 Å²	98.1	16%	0.155	56%	0.559	C	S	.	*			trans	83.8	144.2	166.1	0	0	0	0	0	115.5	G940 V1123	G940-G942 PolarHBondContact O-N 3.34Å; G942-V1123 VanDerWaalsContact C-CG2 3.47Å; G942-V1123 WeakPolarHBondContact O-CG2 3.39Å
943	F	35.2	Very low	39.4	Very low	89 Å²	89	99.7 Å²	99.7	39%	0.39	57%	0.57	S	S	.	*	S	Bend	trans	-78.5	136.5	172.4	-163.2	-89.1	0	0	0	110.9	P945 S1120 V1123	F943-P945 VanDerWaalsContact O-CD 3.29Å; F943-P945 WeakPolarHBondContact O-CD 3.44Å; F943-S1120 VanDerWaalsContact CB-O 3.27Å; F943-S1120 WeakPolarHBondContact CB-O 3.31Å; F943-S1120 WeakPolarHBondContact CB-OG 3.37Å; F943-S1120 PolarHBondContact N-O 3.04Å; F943-V1123 HydrophobicContact CB-CG2 3.67Å; F943-V1123 HydrophobicContact CD2-CG2 3.72Å; F943-V1123 HydrophobicContact CG-CG2 4.15Å
944	R	37.7	Very low	37.8	Very low	109 Å²	109	105.7 Å²	105.7	41%	0.411	60%	0.601	S	S	.	*			trans	-48.2	125.3	-160.9	-56.4	-168.8	-154.7	170.7	13.7	114.2	P394 T395 F1125	P394-R944 VanDerWaalsContact O-CZ 3.25Å; P394-R944 PolarHBondContact O-NH1 3.23Å; P394-R944 PolarHBondContact O-NH2 2.78Å; T395-R944 PolarHBondContact O-NH1 2.91Å; T395-R944 PolarHBondContact O-NH2 3.31Å; R944-F1125 HydrophobicContact CG-CZ 4.44Å
945	P	31.5	Very low	36.4	Very low	95 Å²	95	108.1 Å²	108.1	62%	0.617	62%	0.622	S	S	*	*			trans	-120.9	65.7	161.1	36.9	-21.3	0	0	0	110.1	F943	F943-P945 VanDerWaalsContact O-CD 3.29Å; F943-P945 WeakPolarHBondContact O-CD 3.44Å
946	H	26.7	Very low	34.9	Very low	177 Å²	177	105.6 Å²	105.6	82%	0.819	62%	0.624	S	S	*	*			trans	-132.6	101.5	176.4	-84.5	99.2	0	0	0	111.9
947	S	25.6	Very low	33.6	Very low	104 Å²	104	106.4 Å²	106.4	73%	0.727	63%	0.627	S	S	*	*	S	Bend	trans	-145.1	86.2	163	61.5	0	0	0	0	108.8
948	H	28.5	Very low	32.1	Very low	185 Å²	185	112.7 Å²	112.7	86%	0.856	66%	0.655	S	S	*	*	S	Bend	trans	68.1	147.6	179.4	-54.8	-79.5	0	0	0	116
949	G	29.6	Very low	30.8	Very low	67 Å²	67	116.2 Å²	116.2	69%	0.691	68%	0.681	S	S	*	*			trans	-94.8	164.5	-168	0	0	0	0	0	113.9
950	D	26.2	Very low	29.6	Very low	154 Å²	154	115.6 Å²	115.6	82%	0.824	68%	0.679	S	S	*	*				-160.5	164.3	115.7	-100.9	-24.6	0	0	0	110.5
951	N	24.6	Very low	28.4	Very low	140 Å²	140	122 Å²	122	75%	0.749	71%	0.71	S	S	*	*			trans	56.2	74.4	167.2	-66.1	-46.4	0	0	0	117.7	C953	N951-C953 PolarHBondContact O-N 3.44Å
952	A	25.3	Very low	27.6	Very low	115 Å²	115	126.4 Å²	126.4	95%	0.95	72%	0.723	S	S	*	*			trans	-79.3	98.1	151.2	0	0	0	0	0	109.6
953	C	24.5	Very low	26.9	Very low	92 Å²	92	131.7 Å²	131.7	62%	0.622	76%	0.757	S	S	*	*			trans	-143.6	123.4	175.4	51.2	0	0	0	0	114.3	N951	N951-C953 PolarHBondContact O-N 3.44Å
954	N	24	Very low	26.3	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	78%	0.777	S	S	*	*			trans	54.9	90.2	156.2	-59.1	-13.2	0	0	0	120
955	V	25.3	Very low	26.1	Very low	148 Å²	148	135.2 Å²	135.2	90%	0.897	80%	0.795	S	S	*	*				-128.2	128.3	123.2	-177.7	0	0	0	0	107.7
956	S	23.9	Very low	25.7	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	80%	0.803	S	S	*	*			trans	-85.5	134.7	-175.4	44.6	0	0	0	0	112.8
957	L	25.7	Very low	25.6	Very low	161 Å²	161	137.5 Å²	137.5	84%	0.843	80%	0.804	S	S	*	*			trans	-82.2	134.4	151.9	-93.3	75.7	0	0	0	108.7
958	Q	23.5	Very low	25.6	Very low	197 Å²	197	138.4 Å²	138.4	92%	0.921	80%	0.8	S	S	*	*			trans	-102	114	158.9	-76.6	-177	-40.5	0	0	108.5
959	S	26.2	Very low	25.4	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	80%	0.799	S	S	*	*			trans	-151.7	129.5	161.8	55	0	0	0	0	107.8
960	S	24.7	Very low	25.2	Very low	103 Å²	103	144 Å²	144	72%	0.72	81%	0.808	S	S	*	*			trans	-86.7	141.3	-163.2	49.1	0	0	0	0	114.8
961	D	24.2	Very low	25.2	Very low	148 Å²	148	145.3 Å²	145.3	79%	0.791	81%	0.81	S	S	*	*			trans	63.8	118.1	138.8	-51.5	-20.7	0	0	0	121.9
962	E	26.9	Very low	25.3	Very low	186 Å²	186	145.5 Å²	145.5	87%	0.869	81%	0.811	S	S	*	*			trans	48.8	107.9	143.6	-54.3	-152.6	133.1	0	0	121.4
963	S	25.6	Very low	25.3	Very low	125 Å²	125	147.2 Å²	147.2	87%	0.874	80%	0.804	S	S	*	*				-163.1	143.4	100.5	26.8	0	0	0	0	113.1
964	N	23.3	Very low	25.4	Very low	153 Å²	153	147.1 Å²	147.1	82%	0.818	80%	0.804	S	S	*	*			trans	-138.3	165.6	171.4	-125.7	-13	0	0	0	105.3
965	P	32.1	Very low	25.5	Very low	119 Å²	119	147 Å²	147	77%	0.773	80%	0.804	S	S	*	*			cis	-139.1	168.7	19.6	42.5	-25.3	0	0	0	117.1
966	A	23.1	Very low	25.5	Very low	97 Å²	97	145.1 Å²	145.1	80%	0.802	80%	0.797	S	S	*	*			trans	-159.3	145.1	135.8	0	0	0	0	0	108.6
967	R	24.5	Very low	25.6	Very low	223 Å²	223	143.2 Å²	143.2	84%	0.842	79%	0.793	S	S	*	*			trans	-158.4	146.5	-173.2	-158.7	-159.1	170.2	-169.6	-2.8	112.1
968	I	25.5	Very low	25.7	Very low	123 Å²	123	144.5 Å²	144.5	63%	0.631	80%	0.795	S	S	*	*			trans	74.2	125.2	167.7	-39.9	-178.8	0	0	0	114.4
969	E	25.4	Very low	25.9	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	78%	0.778	S	S	*	*				-175.1	101.7	115.3	-96	168.3	-160.1	0	0	110.8
970	E	25.7	Very low	25.9	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	78%	0.779	S	S	*	*			trans	-106.5	125.5	150.5	-72.2	-177	140.3	0	0	105.4
971	E	26.1	Very low	26	Very low	183 Å²	183	147.6 Å²	147.6	86%	0.855	78%	0.778	S	S	*	*			trans	-84	157.1	178	-75.4	-165.5	111.1	0	0	112.3
972	N	25.5	Very low	26.2	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	76%	0.764	S	S	*	*			trans	-90.9	163.4	-175	-58.2	-86.7	0	0	0	112.2
973	D	24.7	Very low	26.2	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	75%	0.754	S	S	*	*				-136.2	125.3	116.2	-104.2	-32.7	0	0	0	107.9
974	S	27.7	Very low	26.3	Very low	91 Å²	91	142.4 Å²	142.4	64%	0.636	74%	0.743	S	S	*	*				67.2	130	74.6	-53	0	0	0	0	112.2
975	N	25.6	Very low	26.4	Very low	158 Å²	158	146.1 Å²	146.1	85%	0.845	75%	0.746	S	S	*	*			cis	-159.3	174.7	-8.5	-148.5	-3.7	0	0	0	105.7
976	S	26.6	Very low	26	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	74%	0.738	S	S	*	*			cis	-160.8	173.5	4.8	42.5	0	0	0	0	106.3
977	G	25.7	Very low	26	Very low	62 Å²	62	145.6 Å²	145.6	64%	0.639	74%	0.742	S	S	*	*			cis	166	-179.4	5.6	0	0	0	0	0	108.8
978	E	27.7	Very low	25.9	Very low	189 Å²	189	140.5 Å²	140.5	88%	0.883	74%	0.741	S	S	*	*			trans	63.4	152.5	174.1	-57.6	-170.2	162.3	0	0	116.8
979	E	26.6	Very low	25.9	Very low	121 Å²	121	137.7 Å²	137.7	57%	0.565	74%	0.743	S	S	*	*			cis	-157.5	154.7	-24.2	-120.2	-152.9	135.6	0	0	109.7
980	R	27.3	Very low	25.9	Very low	203 Å²	203	137 Å²	137	77%	0.766	74%	0.739	S	S	*	*			trans	61.4	161.6	151.6	-69.4	177.8	-163.6	163.6	23.3	119.7
981	E	27.1	Very low	25.8	Very low	148 Å²	148	137.9 Å²	137.9	69%	0.692	74%	0.735	S	S	*	*			cis	-158.8	153.9	-42.9	-148.3	-130.8	125	0	0	109.3	K983	E981-K983 WeakPolarHBondContact OE1-CE 3.23Å; E981-K983 IonicContact OE1-NZ 2.87Å; E981-K983 PolarHBondContact OE1-NZ 3.37Å; E981-K983 IonicContact OE2-NZ 3.8Å; E981-K983 PolarHBondContact OE2-NZ 3.14Å
982	G	27.3	Very low	25.7	Very low	49 Å²	49	133.7 Å²	133.7	51%	0.505	73%	0.726	S	S	.	*			trans	100.6	106.2	136.2	0	0	0	0	0	121.5
983	K	28	Very low	25.7	Very low	149 Å²	149	132.5 Å²	132.5	65%	0.648	72%	0.724	S	S	*	*				72.4	150.1	121.8	-61.5	140.7	-179.5	153.8	0	118.6	E981	E981-K983 WeakPolarHBondContact OE1-CE 3.23Å; E981-K983 IonicContact OE1-NZ 2.87Å; E981-K983 PolarHBondContact OE1-NZ 3.37Å; E981-K983 IonicContact OE2-NZ 3.8Å; E981-K983 PolarHBondContact OE2-NZ 3.14Å
984	K	27.1	Very low	25.7	Very low	152 Å²	152	130.5 Å²	130.5	66%	0.661	71%	0.713	S	S	*	*			cis	-171.9	144.7	-16.1	-112	176.2	-174.9	171.8	0	109.5
985	R	25.1	Very low	25.7	Very low	231 Å²	231	136.6 Å²	136.6	87%	0.872	72%	0.722	S	S	*	*			trans	59.4	153.2	148.5	-64.4	174.8	173.3	179.4	-5.9	118.2
986	G	23.8	Very low	25.6	Very low	59 Å²	59	133.9 Å²	133.9	61%	0.608	72%	0.716	S	S	*	*			cis	151.8	179.5	-2.9	0	0	0	0	0	111.6
987	T	22.9	Very low	25.6	Very low	145 Å²	145	132.6 Å²	132.6	89%	0.89	71%	0.711	S	S	*	*			trans	60	148.8	171.7	45.9	0	0	0	0	116.3
988	S	23.5	Very low	25.5	Very low	116 Å²	116	136.6 Å²	136.6	81%	0.811	71%	0.714	S	S	*	*			cis	171.4	157.3	-12	50.9	0	0	0	0	105
989	G	24.3	Very low	25.4	Very low	65 Å²	65	136.6 Å²	136.6	67%	0.67	71%	0.705	S	S	*	*			cis	159.3	-178.1	1.9	0	0	0	0	0	109.5
990	Q	25.1	Very low	25.3	Very low	165 Å²	165	138 Å²	138	77%	0.771	72%	0.715	S	S	*	*			trans	69.9	158.4	173.9	-51.1	-165.2	5	0	0	116.1
991	R	24.8	Very low	25	Very low	207 Å²	207	133.2 Å²	133.2	78%	0.781	71%	0.713	S	S	*	*			cis	-160.5	153.4	2.4	-140.3	171.3	-169.6	176.7	2.5	112.5
992	S	24.3	Very low	25.5	Very low	96 Å²	96	132 Å²	132	67%	0.671	72%	0.718	S	S	*	*			trans	58.7	147.7	144.9	53.5	0	0	0	0	121.3
993	T	25.3	Very low	25.3	Very low	117 Å²	117	133.4 Å²	133.4	72%	0.718	73%	0.725	S	S	*	*			cis	-165.3	154.4	-2.8	14.8	0	0	0	0	112.2
994	D	24.3	Very low	25.1	Very low	110 Å²	110	136.6 Å²	136.6	59%	0.588	74%	0.739	S	S	*	*			trans	51.3	119.4	143.5	-67.6	-44.5	0	0	0	121.9
995	R	26.5	Very low	24.9	Very low	218 Å²	218	133 Å²	133	82%	0.823	75%	0.745	S	S	*	*				89.8	148.7	93.7	-75.2	179.4	-158.1	-137	2.5	114.7
996	S	24.3	Very low	24.8	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	75%	0.747	S	S	*	*			cis	-171.5	163.1	-13.1	49.5	0	0	0	0	111.8
997	A	25.6	Very low	24.8	Very low	80 Å²	80	136.6 Å²	136.6	66%	0.661	76%	0.758	S	S	*	*			trans	77.1	121.9	146.1	0	0	0	0	0	121
998	E	24.6	Very low	24.9	Very low	147 Å²	147	140.6 Å²	140.6	69%	0.687	76%	0.757	S	S	*	*			trans	69.5	152.2	130.8	-63.7	-162.2	145.5	0	0	119.7
999	R	24.8	Very low	24.8	Very low	188 Å²	188	142.6 Å²	142.6	71%	0.709	76%	0.758	S	S	*	*			cis	-161.2	172.3	-2	-127.4	177	-150.7	-165.8	17.8	111.6
1000	I	25.6	Very low	24.8	Very low	150 Å²	150	147.1 Å²	147.1	77%	0.769	76%	0.762	S	S	*	*			trans	78.3	130	149.5	-73.2	157.2	0	0	0	119.1
1001	S	21.3	Very low	24.6	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	76%	0.762	S	S	*	*			trans	-98.4	-161.5	171.5	-38.1	0	0	0	0	109.7
1002	P	37.3	Very low	24.6	Very low	122 Å²	122	145.7 Å²	145.7	79%	0.792	76%	0.759	S	S	*	*			cis	-136	-157.7	-9.1	38.3	-16.3	0	0	0	113.3
1003	A	23.2	Very low	24.6	Very low	78 Å²	78	146.3 Å²	146.3	65%	0.645	76%	0.764	S	S	*	*			trans	105.4	116	143.1	0	0	0	0	0	120.5
1004	F	23.3	Very low	24.6	Very low	216 Å²	216	149.8 Å²	149.8	95%	0.947	77%	0.769	S	S	*	*			trans	30.8	124.3	135.2	-67	-86.1	0	0	0	121.3
1005	G	23.1	Very low	24.6	Very low	77 Å²	77	153.6 Å²	153.6	79%	0.794	78%	0.783	S	S	*	*			trans	-177.9	101.9	157.9	0	0	0	0	0	113.4
1006	F	23	Very low	24.4	Very low	206 Å²	206	153.2 Å²	153.2	90%	0.904	79%	0.788	S	S	*	*			trans	-71.4	126.5	162.7	-86	-105.7	0	0	0	108.9
1007	N	22.7	Very low	24.4	Very low	160 Å²	160	158.2 Å²	158.2	86%	0.856	80%	0.797	S	S	*	*				-170.3	160.1	113.6	-107.1	-56.6	0	0	0	116.4
1008	R	26	Very low	24.3	Very low	229 Å²	229	160.1 Å²	160.1	86%	0.864	81%	0.805	S	S	*	*			trans	-73.5	132.3	177.3	-178.8	-166.2	-154.3	178.2	6.5	111.4
1009	L	22.1	Very low	24.4	Very low	158 Å²	158	162.9 Å²	162.9	83%	0.827	82%	0.815	S	S	*	*			trans	-177.5	174.3	140.5	-102.1	164.2	0	0	0	113.4
1010	E	23.1	Very low	24.8	Very low	160 Å²	160	159.5 Å²	159.5	75%	0.748	82%	0.817	S	S	*	*			trans	-70.7	161.3	-173.8	-52.1	171.4	127.1	0	0	112.5
1011	L	21.8	Very low	24.6	Very low	148 Å²	148	160.2 Å²	160.2	78%	0.775	82%	0.821	S	S	*	*				-173.7	175.7	69.2	-121.8	128.4	0	0	0	114.3
1012	R	24.9	Very low	24.8	Very low	193 Å²	193	161 Å²	161	73%	0.728	82%	0.823	S	S	*	*			trans	-53.5	153.9	179.1	-64.1	163.9	160.5	172.3	-7.5	116.1	H1104	R1012-H1104 PolarHBondContact NH1-NE2 2.7Å
1013	S	23.6	Very low	24.1	Very low	109 Å²	109	163.1 Å²	163.1	76%	0.762	83%	0.827	S	S	*	*			trans	-141.5	117.6	148.2	-166.2	0	0	0	0	114.8
1014	K	24.5	Very low	24.1	Very low	191 Å²	191	162.6 Å²	162.6	83%	0.83	83%	0.828	S	S	*	*			trans	32.4	114.4	146.5	-61.8	168.6	-177	173	0	120.8
1015	Q	24.5	Very low	24.4	Very low	189 Å²	189	156.9 Å²	156.9	88%	0.883	82%	0.821	S	S	*	*			trans	-85.8	149	148.9	-70.6	179.3	-62.9	0	0	110.9
1016	F	24.2	Very low	24.5	Very low	210 Å²	210	161.9 Å²	161.9	92%	0.921	82%	0.824	S	S	*	*			trans	-85.4	159.1	158.2	-91	-94.5	0	0	0	111.1
1017	K	23.6	Very low	24.7	Very low	208 Å²	208	161.4 Å²	161.4	90%	0.904	82%	0.824	S	S	*	*			trans	-107.7	140.8	178	-69	-178.7	176.9	179.8	0	111.6
1018	S	24.1	Very low	24.9	Very low	119 Å²	119	160 Å²	160	83%	0.832	82%	0.821	S	S	*	*			trans	-112.4	165.7	155.1	52.2	0	0	0	0	110
1019	K	24.8	Very low	25	Very low	206 Å²	206	154.6 Å²	154.6	90%	0.896	81%	0.813	S	S	*	*			trans	-109.7	160.1	-174.4	-83.9	-175.5	174.9	-178.7	0	112.6
1020	P	33.2	Very low	25.4	Very low	117 Å²	117	149.6 Å²	149.6	76%	0.76	79%	0.791	S	S	*	*			trans	-109.4	160.7	-163.4	40.7	-33.8	0	0	0	115.4
1021	I	22	Very low	25.8	Very low	164 Å²	164	144.3 Å²	144.3	84%	0.841	78%	0.78	S	S	*	*			trans	-146.6	166.7	158.1	-18.8	177	0	0	0	108
1022	P	25.4	Very low	26.4	Very low	120 Å²	120	144 Å²	144	78%	0.779	77%	0.774	S	S	*	*				-102.7	172.8	-90.8	38.1	-28	0	0	0	114.1
1023	I	23.8	Very low	26.8	Very low	168 Å²	168	139 Å²	139	86%	0.862	76%	0.759	S	S	*	*			trans	-113.6	130.3	176.4	-65.7	174.6	0	0	0	110
1024	G	23	Very low	27.4	Very low	66 Å²	66	136.6 Å²	136.6	68%	0.68	75%	0.746	S	S	*	*			trans	-81.2	140.1	165.5	0	0	0	0	0	111.4
1025	A	28.2	Very low	28.1	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	74%	0.736	S	S	*	*			trans	-86.8	121.2	-166.7	0	0	0	0	0	114.1
1026	H	26.5	Very low	28.9	Very low	182 Å²	182	127.6 Å²	127.6	84%	0.843	71%	0.71	S	S	*	*			trans	-135.9	139.7	160.4	-69.1	-71.2	0	0	0	109.6	T1028	H1026-T1028 PolarHBondContact O-N 2.86Å
1027	H	27.8	Very low	29.6	Very low	196 Å²	196	123.1 Å²	123.1	91%	0.907	70%	0.695	S	S	*	*			trans	-71.2	123.1	-174	-80.8	-90.2	0	0	0	112.6
1028	T	26.7	Very low	30.4	Very low	131 Å²	131	115.8 Å²	115.8	80%	0.804	67%	0.674	S	S	*	*			trans	-109.6	118.7	161.3	54.9	0	0	0	0	109.2	H1026	H1026-T1028 PolarHBondContact O-N 2.86Å
1029	V	28.1	Very low	31.2	Very low	114 Å²	114	115.8 Å²	115.8	69%	0.691	66%	0.659	S	S	*	*			trans	-64	133.4	179.5	-177.4	0	0	0	0	110.3	E1033	V1029-E1033 HydrophobicContact CG1-CB 3.56Å; V1029-E1033 HydrophobicContact CG1-CG 4.48Å
1030	S	30.6	Very low	32.1	Very low	53 Å²	53	112.2 Å²	112.2	37%	0.371	64%	0.64	S	S	.	*			trans	-86.4	160.5	-177.3	71.3	0	0	0	0	113	H1032 E1033 A1034	S1030-H1032 PolarHBondContact O-N 3.31Å; S1030-E1033 VanDerWaalsContact CB-OE2 3.25Å; S1030-E1033 WeakPolarHBondContact CB-OE2 3.47Å; S1030-E1033 PolarHBondContact N-OE2 3.12Å; S1030-E1033 PolarHBondContact O-N 3.35Å; S1030-E1033 VanDerWaalsContact O-N 3.08Å; S1030-E1033 PolarHBondContact OG-OE2 3.27Å; S1030-A1034 PolarHBondContact O-N 2.62Å
1031	G	31	Very low	32.5	Very low	49 Å²	49	111.6 Å²	111.6	51%	0.505	63%	0.629	S	S	.	*	H	α-helix	trans	-62	-23.7	179	0	0	0	0	0	114.6	M1035	G1031-M1035 PolarHBondContact O-N 2.92Å
1032	H	33.3	Very low	33.4	Very low	142 Å²	142	108.7 Å²	108.7	66%	0.657	62%	0.616	S	S	*	*	H	α-helix	trans	-72.2	-42.2	173.2	-74.5	77.5	0	0	0	111.1	S1030 A1034 M1035 D1036	S1030-H1032 PolarHBondContact O-N 3.31Å; H1032-A1034 VanDerWaalsContact C-N 3.29Å; H1032-A1034 PolarHBondContact O-N 3.39Å; H1032-M1035 PolarHBondContact O-N 2.91Å; H1032-M1035 VanDerWaalsContact O-N 3.16Å; H1032-D1036 WeakPolarHBondContact O-CB 3.24Å; H1032-D1036 PolarHBondContact O-N 2.87Å
1033	E	34.3	Very low	34.2	Very low	87 Å²	87	108.1 Å²	108.1	41%	0.407	60%	0.603	S	S	.	*	H	α-helix	trans	-64.6	-31.9	178.3	-71.2	161.9	106.9	0	0	112.5	V1029 S1030 L1037	V1029-E1033 HydrophobicContact CG1-CB 3.56Å; V1029-E1033 HydrophobicContact CG1-CG 4.48Å; S1030-E1033 VanDerWaalsContact CB-OE2 3.25Å; S1030-E1033 WeakPolarHBondContact CB-OE2 3.47Å; S1030-E1033 PolarHBondContact N-OE2 3.12Å; S1030-E1033 PolarHBondContact O-N 3.35Å; S1030-E1033 VanDerWaalsContact O-N 3.08Å; S1030-E1033 PolarHBondContact OG-OE2 3.27Å; E1033-L1037 WeakPolarHBondContact O-CB 3.4Å; E1033-L1037 PolarHBondContact O-N 3.28Å
1034	A	36.2	Very low	35	Very low	59 Å²	59	105.9 Å²	105.9	49%	0.488	59%	0.589	S	S	.	*	H	α-helix	trans	-67.6	-39.2	173.3	0	0	0	0	0	112.8	S1030 H1032 L1037 A1038	S1030-A1034 PolarHBondContact O-N 2.62Å; H1032-A1034 VanDerWaalsContact C-N 3.29Å; H1032-A1034 PolarHBondContact O-N 3.39Å; A1034-L1037 PolarHBondContact O-N 2.88Å; A1034-A1038 PolarHBondContact O-N 2.91Å; A1034-A1038 VanDerWaalsContact O-N 3.11Å
1035	M	39	Very low	35.8	Very low	126 Å²	126	107.5 Å²	107.5	62%	0.621	58%	0.581	S	S	*	*	H	α-helix	trans	-71.2	-39.8	176	-168.4	173.7	76	0	0	111.4	G1031 H1032 L1037 A1038 K1039	G1031-M1035 PolarHBondContact O-N 2.92Å; H1032-M1035 PolarHBondContact O-N 2.91Å; H1032-M1035 VanDerWaalsContact O-N 3.16Å; M1035-L1037 VanDerWaalsContact C-N 3.33Å; M1035-A1038 PolarHBondContact O-N 3.05Å; M1035-K1039 WeakPolarHBondContact O-CB 3.42Å; M1035-K1039 PolarHBondContact O-N 3.41Å
1036	D	40.2	Very low	36.2	Very low	65 Å²	65	105.3 Å²	105.3	35%	0.348	56%	0.563	S	S	.	*	H	α-helix	trans	-65	-33	171.1	-87	-0.5	0	0	0	112.6	H1032 K1039 R1040	H1032-D1036 WeakPolarHBondContact O-CB 3.24Å; H1032-D1036 PolarHBondContact O-N 2.87Å; D1036-K1039 PolarHBondContact O-N 2.64Å; D1036-R1040 WeakPolarHBondContact O-CB 3.45Å; D1036-R1040 VanDerWaalsContact O-CG 3.24Å; D1036-R1040 WeakPolarHBondContact O-CG 3.46Å; D1036-R1040 PolarHBondContact O-N 3.24Å; D1036-R1040 IonicContact OD2-NH2 2.65Å; D1036-R1040 PolarHBondContact OD2-NH2 3.3Å
1037	L	39.8	Very low	36.8	Very low	116 Å²	116	99.2 Å²	99.2	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-65.4	-48	173.7	-131.2	79.4	0	0	0	110.4	E1033 A1034 M1035 K1039 R1040 L1041	E1033-L1037 WeakPolarHBondContact O-CB 3.4Å; E1033-L1037 PolarHBondContact O-N 3.28Å; A1034-L1037 PolarHBondContact O-N 2.88Å; M1035-L1037 VanDerWaalsContact C-N 3.33Å; L1037-K1039 VanDerWaalsContact C-N 3.29Å; L1037-K1039 PolarHBondContact O-N 2.85Å; L1037-R1040 PolarHBondContact O-N 3.06Å; L1037-L1041 VanDerWaalsContact O-CB 3.32Å; L1037-L1041 WeakPolarHBondContact O-CB 3.33Å; L1037-L1041 PolarHBondContact O-N 2.8Å
1038	A	40.7	Very low	37.3	Very low	54 Å²	54	95.6 Å²	95.6	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-38.4	176.8	0	0	0	0	0	111.8	A1034 M1035 N1042	A1034-A1038 PolarHBondContact O-N 2.91Å; A1034-A1038 VanDerWaalsContact O-N 3.11Å; M1035-A1038 PolarHBondContact O-N 3.05Å; A1038-N1042 PolarHBondContact O-N 2.92Å; A1038-N1042 VanDerWaalsContact O-N 3.14Å; A1038-N1042 PolarHBondContact O-ND2 3.22Å
1039	K	40.8	Very low	37.9	Very low	120 Å²	120	95.5 Å²	95.5	52%	0.522	51%	0.514	S	S	.	.	H	α-helix	trans	-65.5	-50.4	174.8	-172.8	178.1	172.9	-174.3	0	112	M1035 D1036 L1037 L1041 N1042 E1043	M1035-K1039 WeakPolarHBondContact O-CB 3.42Å; M1035-K1039 PolarHBondContact O-N 3.41Å; D1036-K1039 PolarHBondContact O-N 2.64Å; L1037-K1039 VanDerWaalsContact C-N 3.29Å; L1037-K1039 PolarHBondContact O-N 2.85Å; K1039-L1041 VanDerWaalsContact C-N 3.33Å; K1039-L1041 PolarHBondContact O-N 2.94Å; K1039-N1042 PolarHBondContact O-N 2.85Å; K1039-E1043 WeakPolarHBondContact CE-OE1 3.04Å; K1039-E1043 WeakPolarHBondContact O-CG 3.33Å; K1039-E1043 PolarHBondContact O-N 2.95Å
1040	R	44	Very low	38.3	Very low	130 Å²	130	97 Å²	97	49%	0.491	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-40.1	177	-74.5	175.1	-130.5	-179.3	0.6	112.1	D1036 L1037 N1042 E1043 E1044	D1036-R1040 WeakPolarHBondContact O-CB 3.45Å; D1036-R1040 VanDerWaalsContact O-CG 3.24Å; D1036-R1040 WeakPolarHBondContact O-CG 3.46Å; D1036-R1040 PolarHBondContact O-N 3.24Å; D1036-R1040 IonicContact OD2-NH2 2.65Å; D1036-R1040 PolarHBondContact OD2-NH2 3.3Å; L1037-R1040 PolarHBondContact O-N 3.06Å; R1040-N1042 VanDerWaalsContact C-N 3.34Å; R1040-N1042 PolarHBondContact O-N 3.42Å; R1040-E1043 PolarHBondContact O-N 2.91Å; R1040-E1044 WeakPolarHBondContact O-CB 3.43Å; R1040-E1044 WeakPolarHBondContact O-CG 3.49Å; R1040-E1044 PolarHBondContact O-N 2.81Å
1041	L	40.7	Very low	38.7	Very low	104 Å²	104	100.3 Å²	100.3	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-63.8	-39.8	177.5	-159.1	76.6	0	0	0	111.5	L1037 K1039 L1045	L1037-L1041 VanDerWaalsContact O-CB 3.32Å; L1037-L1041 WeakPolarHBondContact O-CB 3.33Å; L1037-L1041 PolarHBondContact O-N 2.8Å; K1039-L1041 VanDerWaalsContact C-N 3.33Å; K1039-L1041 PolarHBondContact O-N 2.94Å; L1041-L1045 WeakPolarHBondContact O-CB 3.4Å; L1041-L1045 WeakPolarHBondContact O-CD1 3.4Å; L1041-L1045 WeakPolarHBondContact O-CG 3.45Å; L1041-L1045 PolarHBondContact O-N 3.03Å
1042	N	41.4	Very low	38.9	Very low	104 Å²	104	104.4 Å²	104.4	56%	0.556	53%	0.529	S	S	*	.	H	α-helix	trans	-67.9	-37.5	173.3	-74.2	-16.4	0	0	0	112.4	A1038 K1039 R1040 A1046	A1038-N1042 PolarHBondContact O-N 2.92Å; A1038-N1042 VanDerWaalsContact O-N 3.14Å; A1038-N1042 PolarHBondContact O-ND2 3.22Å; K1039-N1042 PolarHBondContact O-N 2.85Å; R1040-N1042 VanDerWaalsContact C-N 3.34Å; R1040-N1042 PolarHBondContact O-N 3.42Å; N1042-A1046 WeakPolarHBondContact O-CB 3.18Å; N1042-A1046 PolarHBondContact O-N 2.97Å
1043	E	42.1	Very low	38.9	Very low	108 Å²	108	103.6 Å²	103.6	51%	0.505	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-40.5	175.5	-71.9	168.8	169.7	0	0	111.8	K1039 R1040 A1046 S1047	K1039-E1043 WeakPolarHBondContact CE-OE1 3.04Å; K1039-E1043 WeakPolarHBondContact O-CG 3.33Å; K1039-E1043 PolarHBondContact O-N 2.95Å; R1040-E1043 PolarHBondContact O-N 2.91Å; E1043-A1046 PolarHBondContact O-N 3.31Å; E1043-S1047 PolarHBondContact O-N 2.9Å
1044	E	40.7	Very low	38.8	Very low	121 Å²	121	107.3 Å²	107.3	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-64.6	-44.1	172.4	-75.4	-175	144.7	0	0	111.9	R1040 A1046 S1047 H1048	R1040-E1044 WeakPolarHBondContact O-CB 3.43Å; R1040-E1044 WeakPolarHBondContact O-CG 3.49Å; R1040-E1044 PolarHBondContact O-N 2.81Å; E1044-A1046 VanDerWaalsContact C-N 3.33Å; E1044-A1046 PolarHBondContact O-N 3.05Å; E1044-S1047 WeakPolarHBondContact O-CB 3.29Å; E1044-S1047 PolarHBondContact O-N 2.76Å; E1044-S1047 VanDerWaalsContact O-N 3.13Å; E1044-S1047 PolarHBondContact O-OG 2.94Å; E1044-H1048 PolarHBondContact O-N 2.82Å
1045	L	38.8	Very low	38.9	Very low	100 Å²	100	112.2 Å²	112.2	52%	0.524	56%	0.56	S	S	.	*	H	α-helix	trans	-59.5	-41.9	174.3	-76.2	165.8	0	0	0	112.1	L1041 H1048 Q1049	L1041-L1045 WeakPolarHBondContact O-CB 3.4Å; L1041-L1045 WeakPolarHBondContact O-CD1 3.4Å; L1041-L1045 WeakPolarHBondContact O-CG 3.45Å; L1041-L1045 PolarHBondContact O-N 3.03Å; L1045-H1048 PolarHBondContact O-N 3.16Å; L1045-Q1049 PolarHBondContact O-N 3.45Å
1046	A	38.2	Very low	38.7	Very low	50 Å²	50	113.1 Å²	113.1	41%	0.413	57%	0.567	S	S	.	*	H	α-helix	trans	-65	-37.9	173.8	0	0	0	0	0	112.3	N1042 E1043 E1044 H1048 Q1049 Q1050	N1042-A1046 WeakPolarHBondContact O-CB 3.18Å; N1042-A1046 PolarHBondContact O-N 2.97Å; E1043-A1046 PolarHBondContact O-N 3.31Å; E1044-A1046 VanDerWaalsContact C-N 3.33Å; E1044-A1046 PolarHBondContact O-N 3.05Å; A1046-H1048 PolarHBondContact O-N 3.21Å; A1046-Q1049 PolarHBondContact O-N 2.88Å; A1046-Q1050 PolarHBondContact O-N 2.94Å
1047	S	38.2	Very low	38.1	Very low	54 Å²	54	120.9 Å²	120.9	38%	0.378	59%	0.591	S	S	.	*	H	α-helix	trans	-63.5	-38.5	176	83.6	0	0	0	0	112.7	E1043 E1044 Q1050 Q1051	E1043-S1047 PolarHBondContact O-N 2.9Å; E1044-S1047 WeakPolarHBondContact O-CB 3.29Å; E1044-S1047 PolarHBondContact O-N 2.76Å; E1044-S1047 VanDerWaalsContact O-N 3.13Å; E1044-S1047 PolarHBondContact O-OG 2.94Å; S1047-Q1050 PolarHBondContact O-N 3.46Å; S1047-Q1051 PolarHBondContact O-N 3.24Å
1048	H	39.3	Very low	37.6	Very low	121 Å²	121	121.5 Å²	121.5	56%	0.56	60%	0.602	S	S	*	*	H	α-helix	trans	-68.4	-33.7	176.6	-92	-34.1	0	0	0	112.5	E1044 L1045 A1046 Q1051 Q1052	E1044-H1048 PolarHBondContact O-N 2.82Å; L1045-H1048 PolarHBondContact O-N 3.16Å; A1046-H1048 PolarHBondContact O-N 3.21Å; H1048-Q1051 PolarHBondContact O-N 2.95Å; H1048-Q1052 PolarHBondContact O-N 3.15Å
1049	Q	39.2	Very low	37.1	Very low	128 Å²	128	126.8 Å²	126.8	60%	0.598	62%	0.621	S	S	*	*	H	α-helix	trans	-63.7	-39.9	172.5	-71.2	-179.6	-7.5	0	0	112.3	L1045 A1046 Q1051 Q1052 N1053	L1045-Q1049 PolarHBondContact O-N 3.45Å; A1046-Q1049 PolarHBondContact O-N 2.88Å; Q1049-Q1051 VanDerWaalsContact C-N 3.32Å; Q1049-Q1051 PolarHBondContact O-N 3.44Å; Q1049-Q1052 PolarHBondContact O-N 3.13Å; Q1049-N1053 PolarHBondContact O-N 2.86Å
1050	Q	36.4	Very low	36.5	Very low	146 Å²	146	126.3 Å²	126.3	68%	0.682	63%	0.633	S	S	*	*	H	α-helix	trans	-64.4	-35.8	175.6	-70.4	-169.1	-7	0	0	112.6	A1046 S1047	A1046-Q1050 PolarHBondContact O-N 2.94Å; S1047-Q1050 PolarHBondContact O-N 3.46Å
1051	Q	38.8	Very low	36.2	Very low	122 Å²	122	125.6 Å²	125.6	57%	0.57	65%	0.645	S	S	*	*	H	α-helix	trans	-71.4	-36.6	175.3	-70	-176.5	-6.6	0	0	112.9	S1047 H1048 Q1049 Q1054	S1047-Q1051 PolarHBondContact O-N 3.24Å; H1048-Q1051 PolarHBondContact O-N 2.95Å; Q1049-Q1051 VanDerWaalsContact C-N 3.32Å; Q1049-Q1051 PolarHBondContact O-N 3.44Å; Q1051-Q1054 PolarHBondContact O-N 3.39Å
1052	Q	34.5	Very low	35.5	Very low	135 Å²	135	127.5 Å²	127.5	63%	0.631	66%	0.656	S	S	*	*	H	α-helix	trans	-68.9	-39.8	174.8	-77.5	-171.9	-20.9	0	0	112.7	H1048 Q1049 Q1054 Q1055	H1048-Q1052 PolarHBondContact O-N 3.15Å; Q1049-Q1052 PolarHBondContact O-N 3.13Å; Q1052-Q1054 PolarHBondContact O-N 2.81Å; Q1052-Q1054 VanDerWaalsContact O-N 3.15Å; Q1052-Q1055 WeakPolarHBondContact O-CB 3.39Å; Q1052-Q1055 PolarHBondContact O-N 3.45Å
1053	N	32.8	Very low	34.9	Very low	126 Å²	126	129 Å²	129	67%	0.674	66%	0.663	S	S	*	*	H	α-helix	trans	-66.8	-13.3	177.6	-83.6	-15.7	0	0	0	114.1	Q1049	Q1049-N1053 PolarHBondContact O-N 2.86Å
1054	Q	33.5	Very low	34.2	Very low	165 Å²	165	134.9 Å²	134.9	77%	0.771	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-13.3	169.4	-69.8	-175.5	12.4	0	0	113.7	Q1051 Q1052	Q1051-Q1054 PolarHBondContact O-N 3.39Å; Q1052-Q1054 PolarHBondContact O-N 2.81Å; Q1052-Q1054 VanDerWaalsContact O-N 3.15Å
1055	Q	38.8	Very low	33.5	Very low	162 Å²	162	133.4 Å²	133.4	76%	0.757	69%	0.688	S	S	*	*	S	Bend	trans	-90.3	-1.4	178.9	-62.2	-172.5	-14.5	0	0	113.9	Q1052	Q1052-Q1055 WeakPolarHBondContact O-CB 3.39Å; Q1052-Q1055 PolarHBondContact O-N 3.45Å
1056	L	33.9	Very low	32.9	Very low	145 Å²	145	135.5 Å²	135.5	76%	0.759	71%	0.705	S	S	*	*			trans	-127.9	73.1	-178.4	-71.4	175	0	0	0	112.3
1057	R	27.3	Very low	32.2	Very low	228 Å²	228	139.2 Å²	139.2	86%	0.86	72%	0.723	S	S	*	*			trans	-107.2	133.8	155.2	-76	-168	176.3	-163.8	0.2	109.6
1058	P	30.4	Very low	32.5	Very low	128 Å²	128	141.4 Å²	141.4	83%	0.831	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-63.3	149.9	173.9	-21.5	33.4	0	0	0	112.5
1059	I	29.5	Very low	31.8	Very low	165 Å²	165	142.7 Å²	142.7	85%	0.846	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-82.6	122.7	169.6	-65.4	161.9	0	0	0	108.3
1060	S	27.9	Very low	31.1	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-84.4	138	163.9	-62.1	0	0	0	0	110
1061	P	36.7	Very low	30.5	Very low	115 Å²	115	144.4 Å²	144.4	75%	0.747	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-88.2	130	175.6	33.2	-31.2	0	0	0	111.8
1062	D	25.9	Very low	30.4	Very low	144 Å²	144	144.2 Å²	144.2	77%	0.77	78%	0.777	S	S	*	*			trans	-165	106.7	140.6	-110.9	-29.9	0	0	0	114.5
1063	I	30.4	Very low	30	Very low	136 Å²	136	149.1 Å²	149.1	70%	0.697	79%	0.79	S	S	*	*				40.2	125.3	128.1	-59.1	-177.6	0	0	0	121.1
1064	R	26.4	Very low	29.7	Very low	230 Å²	230	147.9 Å²	147.9	87%	0.868	79%	0.791	S	S	*	*			trans	82.1	94.7	153.7	-77.6	167.2	-170.8	179.8	2.9	122.2
1065	A	26.3	Very low	29.4	Very low	90 Å²	90	151.4 Å²	151.4	74%	0.744	80%	0.797	S	S	*	*				76.7	161.7	108.1	0	0	0	0	0	122.9
1066	V	25.6	Very low	28.7	Very low	144 Å²	144	148.2 Å²	148.2	87%	0.873	79%	0.793	S	S	*	*			trans	88.6	117.2	168.5	-170	0	0	0	0	117.7
1067	T	23.8	Very low	28.3	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	80%	0.796	S	S	*	*			trans	-103.9	176.3	165.1	54.1	0	0	0	0	109.2
1068	P	45.2	Very low	28.2	Very low	100 Å²	100	146.5 Å²	146.5	65%	0.649	79%	0.788	S	S	*	*			cis	-140.3	-167	7.1	41.1	-20	0	0	0	116.2
1069	D	23.4	Very low	28.1	Very low	148 Å²	148	148.4 Å²	148.4	79%	0.791	79%	0.786	S	S	*	*			trans	82.6	155.4	143	-69.8	-23.4	0	0	0	125.6
1070	C	25.3	Very low	28.1	Very low	128 Å²	128	151.1 Å²	151.1	87%	0.865	79%	0.785	S	S	*	*			trans	89.1	118.2	163.7	-68.5	0	0	0	0	121.9
1071	E	24.9	Very low	28.6	Very low	182 Å²	182	152 Å²	152	85%	0.85	79%	0.789	S	S	*	*			trans	-79.5	-169.2	151.1	-45.1	-169.2	117.6	0	0	110.4
1072	P	36.3	Very low	28.3	Very low	119 Å²	119	152.5 Å²	152.5	77%	0.773	79%	0.79	S	S	*	*			cis	-136.6	-170.6	-4.4	33.9	-9.9	0	0	0	116.3
1073	R	26	Very low	28.3	Very low	238 Å²	238	151.7 Å²	151.7	90%	0.898	80%	0.796	S	S	*	*			trans	-53.4	156	177.1	-59.8	164.1	163	165.9	-6.3	115.7
1074	S	26.2	Very low	28	Very low	100 Å²	100	148.7 Å²	148.7	70%	0.699	80%	0.798	S	S	*	*				176	137.3	109.8	57.4	0	0	0	0	117.8
1075	R	25.9	Very low	28	Very low	238 Å²	238	145 Å²	145	90%	0.898	80%	0.8	S	S	*	*			trans	62.7	162.7	145	-67.6	173.3	-178	-179	0.5	118
1076	S	25.8	Very low	27.9	Very low	95 Å²	95	146.9 Å²	146.9	66%	0.664	81%	0.807	S	S	*	*			cis	-164.9	172.1	-12.3	37.2	0	0	0	0	107
1077	F	24	Very low	27.9	Very low	189 Å²	189	144.1 Å²	144.1	83%	0.829	80%	0.799	S	S	*	*			cis	-164.5	-170.5	44.2	-133.5	-83	0	0	0	111
1078	E	27.2	Very low	27.9	Very low	149 Å²	149	148.1 Å²	148.1	70%	0.696	81%	0.805	S	S	*	*			trans	-105.6	-179.9	-172	-48.9	-176	128.5	0	0	117.4
1079	Q	27.1	Very low	26.9	Very low	168 Å²	168	152 Å²	152	79%	0.785	82%	0.815	S	S	*	*			trans	111.9	144.5	140.8	-79.5	164.6	41.3	0	0	120.9
1080	R	30.3	Very low	27.4	Very low	221 Å²	221	150.7 Å²	150.7	83%	0.834	81%	0.814	S	S	*	*			trans	-113.4	175.9	179.3	-60.6	176.5	174.4	172.2	-3.3	109.8
1081	P	38.8	Very low	27.3	Very low	131 Å²	131	148.4 Å²	148.4	85%	0.851	81%	0.805	S	S	*	*				-144.7	-162.4	98.4	36.9	-19.5	0	0	0	114.6
1082	T	29	Very low	27.2	Very low	125 Å²	125	148.7 Å²	148.7	77%	0.767	80%	0.804	S	S	*	*			trans	-148.3	155.3	-158.1	53.3	0	0	0	0	115.2
1083	S	25.6	Very low	26.7	Very low	127 Å²	127	148.9 Å²	148.9	89%	0.888	80%	0.798	S	S	*	*			trans	-158.9	161.5	153.7	59.8	0	0	0	0	109.1
1084	G	24.4	Very low	26.5	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	79%	0.789	S	S	*	*			cis	-162.8	177.8	-3.9	0	0	0	0	0	110.2
1085	V	26.5	Very low	26.4	Very low	152 Å²	152	145.2 Å²	145.2	92%	0.921	79%	0.788	S	S	*	*			trans	-133.2	140.1	-165.6	173	0	0	0	0	112.7
1086	C	24.3	Very low	26.2	Very low	130 Å²	130	140.1 Å²	140.1	88%	0.878	79%	0.787	S	S	*	*				175.2	176.3	127.3	-149.4	0	0	0	0	112.1
1087	A	26.6	Very low	26.1	Very low	86 Å²	86	139.5 Å²	139.5	71%	0.711	79%	0.788	S	S	*	*			trans	-137.4	157.7	-172.8	0	0	0	0	0	113.8
1088	K	23.8	Very low	25.9	Very low	212 Å²	212	140.4 Å²	140.4	92%	0.922	79%	0.792	S	S	*	*			trans	-176.5	149.9	150	-107.7	167.1	-175.2	-178.6	0	113.9
1089	E	24.1	Very low	25.6	Very low	181 Å²	181	140.3 Å²	140.3	85%	0.846	80%	0.795	S	S	*	*			trans	-85.9	170.7	161.3	-107.4	-176.7	179.7	0	0	110.4
1090	P	33.4	Very low	25.3	Very low	121 Å²	121	141 Å²	141	79%	0.786	80%	0.796	S	S	*	*			cis	-141.7	-169.2	36.5	41.9	-20.8	0	0	0	117.3
1091	A	23.5	Very low	24.8	Very low	80 Å²	80	135.5 Å²	135.5	66%	0.661	79%	0.791	S	S	*	*			trans	-72.7	169.8	-178.2	0	0	0	0	0	114.6
1092	F	23.3	Very low	23.9	Very low	188 Å²	188	137.6 Å²	137.6	83%	0.825	79%	0.794	S	S	*	*				-172.2	152.4	80.7	-115.4	-59.7	0	0	0	116.5
1093	L	24.4	Very low	23.6	Very low	124 Å²	124	137.8 Å²	137.8	65%	0.649	80%	0.795	S	S	*	*			trans	49.2	116	145.1	-93.6	162.8	0	0	0	122.3
1094	N	22.9	Very low	23.5	Very low	133 Å²	133	138.3 Å²	138.3	71%	0.711	78%	0.783	S	S	*	*				161.7	145.3	112.8	-87.5	-39.5	0	0	0	110.7
1095	N	23.6	Very low	23.5	Very low	127 Å²	127	142.6 Å²	142.6	68%	0.679	79%	0.788	S	S	*	*			cis	-160	147.8	-9.4	-140.1	-24.3	0	0	0	109.1
1096	C	22.6	Very low	23.4	Very low	132 Å²	132	141.8 Å²	141.8	89%	0.892	78%	0.783	S	S	*	*			trans	171.7	86.7	147.9	-99.8	0	0	0	0	113.2
1097	A	22.1	Very low	23.2	Very low	81 Å²	81	141.2 Å²	141.2	67%	0.669	78%	0.776	S	S	*	*			trans	-17.8	166.9	157.6	0	0	0	0	0	123.3
1098	F	21.4	Very low	23	Very low	208 Å²	208	143.9 Å²	143.9	91%	0.912	78%	0.784	S	S	*	*			trans	85	88.7	158.4	-75.9	-70	0	0	0	121.3
1099	L	19.9	Very low	22.9	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	78%	0.778	S	S	*	*			trans	-80.6	131.2	150.8	178.7	83.3	0	0	0	110.3
1100	F	20.8	Very low	22.9	Very low	182 Å²	182	143.1 Å²	143.1	80%	0.798	78%	0.779	S	S	*	*				178.4	156.3	128.2	-114.2	-83.8	0	0	0	113.8
1101	C	19.6	Very low	22.3	Very low	107 Å²	107	140.8 Å²	140.8	72%	0.723	77%	0.77	S	S	*	*			trans	49.5	89.1	162.3	-77.5	0	0	0	0	119.9
1102	L	20.6	Very low	22.4	Very low	175 Å²	175	142.7 Å²	142.7	92%	0.916	77%	0.768	S	S	*	*				-163.9	98	111.7	-110.9	163.3	0	0	0	112.1
1103	T	22.3	Very low	22.3	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	76%	0.757	S	S	*	*			trans	-98.1	113.5	166.9	42.4	0	0	0	0	109.6
1104	H	23.2	Very low	22.1	Very low	138 Å²	138	137.6 Å²	137.6	64%	0.639	76%	0.763	S	S	*	*			trans	-168.1	163.4	147.2	-108.1	56.9	0	0	0	110.3	R1012	R1012-H1104 PolarHBondContact NH1-NE2 2.7Å
1105	L	24.4	Very low	22.1	Very low	162 Å²	162	140.5 Å²	140.5	85%	0.848	77%	0.77	S	S	*	*	S	Bend	trans	62.2	68.8	172.3	-63.6	166.3	0	0	0	117.6
1106	T	24	Very low	22	Very low	135 Å²	135	145.2 Å²	145.2	83%	0.828	78%	0.778	S	S	*	*			trans	-164.2	87.7	140.4	7.4	0	0	0	0	109.9
1107	T	21.2	Very low	22	Very low	118 Å²	118	143.5 Å²	143.5	72%	0.724	76%	0.76	S	S	*	*			trans	-154.6	51.8	173.6	-37.4	0	0	0	0	111.1	R1109	T1107-R1109 PolarHBondContact O-N 2.81Å
1108	T	22.8	Very low	22	Very low	142 Å²	142	146.7 Å²	146.7	87%	0.871	76%	0.764	S	S	*	*			trans	-66.3	100.9	166.5	-27.3	0	0	0	0	107	L1110	T1108-L1110 PolarHBondContact O-N 2.92Å
1109	R	21.7	Very low	22.1	Very low	213 Å²	213	146.3 Å²	146.3	80%	0.804	76%	0.756	S	S	*	*			trans	-65.8	110.6	-174.8	-69	172.7	172.1	169.8	-5.4	109.3	T1107 A1111	T1107-R1109 PolarHBondContact O-N 2.81Å; R1109-A1111 HydrophobicContact CB-CB 4.24Å; R1109-A1111 PolarHBondContact O-N 2.76Å
1110	L	23.4	Very low	22.5	Very low	165 Å²	165	142.1 Å²	142.1	86%	0.864	74%	0.739	S	S	*	*			trans	-67.2	73.2	142.1	-92.2	170.4	0	0	0	107.7	T1108 I1112	T1108-L1110 PolarHBondContact O-N 2.92Å; L1110-I1112 PolarHBondContact O-N 2.78Å
1111	A	20.3	Very low	22.7	Very low	72 Å²	72	137.4 Å²	137.4	60%	0.595	72%	0.722	S	S	*	*			trans	-68.3	87.7	158.9	0	0	0	0	0	105.9	R1109 P1113	R1109-A1111 HydrophobicContact CB-CB 4.24Å; R1109-A1111 PolarHBondContact O-N 2.76Å; A1111-P1113 WeakPolarHBondContact O-CD 3.23Å
1112	I	26.5	Very low	23.1	Very low	120 Å²	120	134.4 Å²	134.4	62%	0.615	70%	0.703	S	S	*	*			trans	-73	100.6	149.3	-60.1	172	0	0	0	103.5	L1110 S1114	L1110-I1112 PolarHBondContact O-N 2.78Å; I1112-S1114 PolarHBondContact O-N 2.85Å
1113	P	19.8	Very low	23.6	Very low	94 Å²	94	126.1 Å²	126.1	61%	0.61	66%	0.66	S	S	*	*			trans	-66.9	138.4	169.2	-4.1	24.9	0	0	0	105.4	A1111 F1115	A1111-P1113 WeakPolarHBondContact O-CD 3.23Å; P1113-F1115 PolarHBondContact O-N 2.87Å; P1113-F1115 VanDerWaalsContact O-N 3.14Å
1114	S	21.2	Very low	23.8	Very low	111 Å²	111	120.7 Å²	120.7	78%	0.776	63%	0.625	S	S	*	*			trans	-47	127.4	167.9	-43.5	0	0	0	0	108	I1112 R1116	I1112-S1114 PolarHBondContact O-N 2.85Å; S1114-R1116 PolarHBondContact O-N 3.44Å
1115	F	23.6	Very low	24.1	Very low	193 Å²	193	116.6 Å²	116.6	85%	0.846	61%	0.605	S	S	*	*			trans	-70.4	66.9	-175.4	-109.8	-93.5	0	0	0	110.9	P1113 L1117	P1113-F1115 PolarHBondContact O-N 2.87Å; P1113-F1115 VanDerWaalsContact O-N 3.14Å; F1115-L1117 HydrophobicContact CD1-CD1 4.47Å; F1115-L1117 PolarHBondContact O-N 2.84Å
1116	R	20.3	Very low	24.4	Very low	226 Å²	226	108.9 Å²	108.9	85%	0.853	57%	0.565	S	S	*	*			trans	-77.4	81.4	174.5	-165.5	179.3	-158.7	-177.5	5.8	105.9	S1114 I1118	S1114-R1116 PolarHBondContact O-N 3.44Å; R1116-I1118 PolarHBondContact O-N 3.47Å; R1116-I1118 VanDerWaalsContact O-N 3.08Å
1117	L	23.1	Very low	24.5	Very low	97 Å²	97	104.8 Å²	104.8	51%	0.508	54%	0.538	S	S	.	.			trans	-45.2	118.8	-174.8	-137.1	87.7	0	0	0	108.8	E552 I556 F1115	E552-L1117 HydrophobicContact CG-CD2 3.8Å; I556-L1117 HydrophobicContact CD1-CD2 3.77Å; F1115-L1117 HydrophobicContact CD1-CD1 4.47Å; F1115-L1117 PolarHBondContact O-N 2.84Å
1118	I	22.9	Very low	25	Very low	147 Å²	147	99.5 Å²	99.5	75%	0.754	51%	0.505	S	S	*	.			trans	-67.9	151.4	-168.2	-65.9	179.6	0	0	0	109.2	R1116	R1116-I1118 PolarHBondContact O-N 3.47Å; R1116-I1118 VanDerWaalsContact O-N 3.08Å
1119	R	22.9	Very low	25.6	Very low	200 Å²	200	98.1 Å²	98.1	76%	0.755	49%	0.487	S	S	*	.			trans	-42.2	147.2	-178.3	-81	174.9	163.4	159.5	-8	112.9	D1121	R1119-D1121 PolarHBondContact O-N 2.92Å
1120	S	28.1	Very low	26.3	Very low	59 Å²	59	92.8 Å²	92.8	41%	0.413	47%	0.471	S	S	.	.			trans	-65.8	78.5	169.5	42	0	0	0	0	111.8	F943 S1122	F943-S1120 VanDerWaalsContact CB-O 3.27Å; F943-S1120 WeakPolarHBondContact CB-O 3.31Å; F943-S1120 WeakPolarHBondContact CB-OG 3.37Å; F943-S1120 PolarHBondContact N-O 3.04Å; S1120-S1122 PolarHBondContact O-N 3.06Å
1121	D	24.2	Very low	26.7	Very low	83 Å²	83	86.5 Å²	86.5	44%	0.444	44%	0.44	S	S	.	.			trans	-74.7	2.7	167.1	-59.6	-22.1	0	0	0	111.7	R1119 V1123	R1119-D1121 PolarHBondContact O-N 2.92Å; D1121-V1123 PolarHBondContact O-N 3.38Å
1122	S	29.4	Very low	27.3	Very low	45 Å²	45	84.5 Å²	84.5	32%	0.315	42%	0.419	S	S	.	.			trans	-78.5	84.9	173	-67.3	0	0	0	0	112.1	S926 S1120	S926-S1122 WeakPolarHBondContact CB-OG 3.42Å; S926-S1122 PolarHBondContact OG-OG 3.4Å; S1120-S1122 PolarHBondContact O-N 3.06Å
1123	V	30.7	Very low	27.6	Very low	1 Å²	1	83 Å²	83	1%	0.006	41%	0.408	C	S	.	.			trans	-140.9	129.6	164.4	168.4	0	0	0	0	111.5	P941 G942 F943 D1121 F1125	P941-V1123 WeakPolarHBondContact CD-O 3.18Å; P941-V1123 HydrophobicContact CG-CG1 4.31Å; P941-V1123 WeakPolarHBondContact CG-O 3.32Å; G942-V1123 VanDerWaalsContact C-CG2 3.47Å; G942-V1123 WeakPolarHBondContact O-CG2 3.39Å; F943-V1123 HydrophobicContact CB-CG2 3.67Å; F943-V1123 HydrophobicContact CD2-CG2 3.72Å; F943-V1123 HydrophobicContact CG-CG2 4.15Å; D1121-V1123 PolarHBondContact O-N 3.38Å; V1123-F1125 HydrophobicContact CG1-CB 4.44Å; V1123-F1125 HydrophobicContact CG1-CD1 3.45Å; V1123-F1125 VanDerWaalsContact CG1-CD1 3.45Å; V1123-F1125 HydrophobicContact CG1-CD2 3.54Å; V1123-F1125 HydrophobicContact CG1-CE1 3.43Å; V1123-F1125 VanDerWaalsContact CG1-CE1 3.43Å; V1123-F1125 HydrophobicContact CG1-CE2 3.53Å; V1123-F1125 HydrophobicContact CG1-CG 3.52Å; V1123-F1125 HydrophobicContact CG1-CZ 3.5Å; V1123-F1125 VanDerWaalsContact CG1-CZ 3.5Å; V1123-F1125 HydrophobicContact CG2-CE1 4.46Å; V1123-F1125 HydrophobicContact CG2-CZ 4.39Å
1124	W	26.9	Very low	28.1	Very low	14 Å²	14	81 Å²	81	5%	0.053	40%	0.397	C	S	.	.			trans	-99.9	143.3	140	-80.3	33.5	0	0	0	108.5	W882 A885 M886 Y888 I889 L923 H924 F925	W882-W1124 HydrophobicContact CZ3-CZ3 4.46Å; A885-W1124 HydrophobicContact CB-CD2 4.1Å; A885-W1124 HydrophobicContact CB-CE3 3.77Å; A885-W1124 HydrophobicContact CB-CH2 3.53Å; A885-W1124 HydrophobicContact CB-CZ2 3.92Å; A885-W1124 HydrophobicContact CB-CZ3 3.48Å; A885-W1124 VanDerWaalsContact CB-CZ3 3.48Å; A885-W1124 WeakPolarHBondContact O-CH2 3.37Å; A885-W1124 WeakPolarHBondContact O-CZ2 3.49Å; M886-W1124 HydrophobicContact CE-CH2 3.78Å; M886-W1124 HydrophobicContact CE-CZ3 3.81Å; M886-W1124 HydrophobicContact SD-CH2 4.29Å; Y888-W1124 HydrophobicContact CD1-CZ2 4.37Å; Y888-W1124 AromaticContact CD1-NE1 3.22Å; Y888-W1124 AromaticContact CE1-NE1 3.72Å; I889-W1124 HydrophobicContact CB-CH2 3.98Å; I889-W1124 HydrophobicContact CB-CZ2 3.63Å; I889-W1124 HydrophobicContact CD1-CH2 3.23Å; I889-W1124 HydrophobicContact CD1-CZ2 3.32Å; I889-W1124 HydrophobicContact CD1-CZ3 4.01Å; I889-W1124 HydrophobicContact CG1-CH2 3.72Å; I889-W1124 HydrophobicContact CG1-CZ2 3.27Å; L923-W1124 CarbonylContact O-C 3.57Å; L923-W1124 VanDerWaalsContact O-C 3.22Å; L923-W1124 WeakPolarHBondContact O-CB 3.45Å; H924-W1124 PolarHBondContact CE1-O 3.01Å; H924-W1124 PolarHBondContact ND1-O 3.4Å; F925-W1124 HydrophobicContact CB-CB 4.43Å; F925-W1124 HydrophobicContact CB-CD2 4.09Å; F925-W1124 HydrophobicContact CB-CG 3.82Å; F925-W1124 AromaticContact CD1-CD1 3.98Å; F925-W1124 AromaticContact CD1-NE1 3.64Å
1125	F	28.9	Very low	28.6	Very low	52 Å²	52	78 Å²	78	23%	0.228	37%	0.371	C	S	.	.			trans	-112.1	126	165.1	-69.2	-52	0	0	0	106.7	T396 Q881 H924 R944 V1123	T396-F1125 HydrophobicContact CG2-CD1 3.36Å; T396-F1125 HydrophobicContact CG2-CE1 3.33Å; T396-F1125 HydrophobicContact CG2-CG 4.3Å; T396-F1125 HydrophobicContact CG2-CZ 4.26Å; Q881-F1125 PolarHBondContact NE2-O 2.8Å; H924-F1125 AromaticContact NE2-CD1 3.61Å; H924-F1125 AromaticContact NE2-CE1 3.75Å; R944-F1125 HydrophobicContact CG-CZ 4.44Å; V1123-F1125 HydrophobicContact CG1-CB 4.44Å; V1123-F1125 HydrophobicContact CG1-CD1 3.45Å; V1123-F1125 VanDerWaalsContact CG1-CD1 3.45Å; V1123-F1125 HydrophobicContact CG1-CD2 3.54Å; V1123-F1125 HydrophobicContact CG1-CE1 3.43Å; V1123-F1125 VanDerWaalsContact CG1-CE1 3.43Å; V1123-F1125 HydrophobicContact CG1-CE2 3.53Å; V1123-F1125 HydrophobicContact CG1-CG 3.52Å; V1123-F1125 HydrophobicContact CG1-CZ 3.5Å; V1123-F1125 VanDerWaalsContact CG1-CZ 3.5Å; V1123-F1125 HydrophobicContact CG2-CE1 4.46Å; V1123-F1125 HydrophobicContact CG2-CZ 4.39Å
1126	F	29.9	Very low	29	Very low	0 Å²	0	72 Å²	72	0%	0	35%	0.351	C	S	.	.			trans	-135.1	151.8	168.1	-125.6	-76.3	0	0	0	112.1	L874 D879 Q881 W882 A885 E922 L923 I1128	L874-F1126 HydrophobicContact CD1-CD1 3.46Å; L874-F1126 VanDerWaalsContact CD1-CD1 3.46Å; L874-F1126 HydrophobicContact CD1-CE1 3.21Å; L874-F1126 HydrophobicContact CD1-CZ 4.24Å; D879-F1126 WeakPolarHBondContact OD2-CE1 3.35Å; Q881-F1126 VanDerWaalsContact C-CE2 3.44Å; Q881-F1126 HydrophobicContact CB-CE2 4.09Å; Q881-F1126 HydrophobicContact CB-CZ 3.78Å; Q881-F1126 HydrophobicContact CG-CE2 3.69Å; Q881-F1126 HydrophobicContact CG-CZ 3.77Å; W882-F1126 HydrophobicContact CB-CE1 4.19Å; W882-F1126 HydrophobicContact CB-CE2 3.91Å; W882-F1126 HydrophobicContact CB-CZ 3.49Å; W882-F1126 VanDerWaalsContact CB-CZ 3.49Å; W882-F1126 HydrophobicContact CD2-CE2 4.41Å; W882-F1126 HydrophobicContact CD2-CZ 4.39Å; W882-F1126 AromaticContact CE3-CD1 3.94Å; W882-F1126 HydrophobicContact CE3-CD1 3.94Å; W882-F1126 AromaticContact CE3-CD2 3.59Å; W882-F1126 HydrophobicContact CE3-CD2 3.59Å; W882-F1126 AromaticContact CE3-CE1 3.98Å; W882-F1126 HydrophobicContact CE3-CE1 3.98Å; W882-F1126 AromaticContact CE3-CE2 3.63Å; W882-F1126 HydrophobicContact CE3-CE2 3.63Å; W882-F1126 AromaticContact CE3-CG 3.83Å; W882-F1126 HydrophobicContact CE3-CG 3.83Å; W882-F1126 AromaticContact CE3-CZ 3.87Å; W882-F1126 HydrophobicContact CE3-CZ 3.87Å; W882-F1126 HydrophobicContact CG-CZ 4.31Å; W882-F1126 HydrophobicContact CZ3-CD1 4.36Å; W882-F1126 HydrophobicContact CZ3-CD2 4.11Å; W882-F1126 HydrophobicContact CZ3-CG 4.09Å; A885-F1126 HydrophobicContact CB-CD2 4.24Å; A885-F1126 HydrophobicContact CB-CE2 4.07Å; E922-F1126 WeakPolarHBondContact CA-O 3.43Å; L923-F1126 HydrophobicContact CB-CB 3.93Å; L923-F1126 HydrophobicContact CG-CB 4.34Å; F1126-I1128 HydrophobicContact CD1-CG1 4.43Å
1127	L	27.2	Very low	29.4	Very low	49 Å²	49	66.1 Å²	66.1	26%	0.257	34%	0.335	S	S	.	.			trans	-123.5	94.7	174.2	-179.8	133.2	0	0	0	107.9	F397 K1129	F397-L1127 HydrophobicContact CD2-CD1 3.57Å; F397-L1127 HydrophobicContact CE2-CB 3.94Å; F397-L1127 HydrophobicContact CE2-CD1 3.33Å; F397-L1127 HydrophobicContact CE2-CG 4.25Å; F397-L1127 HydrophobicContact CG-CD1 4.29Å; F397-L1127 HydrophobicContact CZ-CB 4.24Å; F397-L1127 HydrophobicContact CZ-CD1 3.84Å; L1127-K1129 HydrophobicContact CD2-CD 4.45Å; L1127-K1129 HydrophobicContact CD2-CG 3.83Å
1128	I	31.5	Very low	29.6	Very low	6 Å²	6	71.5 Å²	71.5	3%	0.031	35%	0.349	C	S	.	.			trans	-92.4	102.9	174.8	-54.8	162.7	0	0	0	108.4	L873 V921 L923 F1126 C1131 L1132	L873-I1128 HydrophobicContact CD1-CD1 4.39Å; L873-I1128 HydrophobicContact CD2-CD1 3.85Å; L873-I1128 HydrophobicContact CD2-CG1 4.18Å; V921-I1128 HydrophobicContact CB-CB 4.21Å; V921-I1128 HydrophobicContact CG1-CD1 4.2Å; V921-I1128 PolarHBondContact O-N 2.65Å; L923-I1128 HydrophobicContact CD1-CD1 3.76Å; L923-I1128 HydrophobicContact CD2-CD1 4.26Å; L923-I1128 HydrophobicContact CG-CD1 3.78Å; F1126-I1128 HydrophobicContact CD1-CG1 4.43Å; I1128-C1131 HydrophobicContact CG2-CB 3.9Å; I1128-L1132 HydrophobicContact CD1-CD1 4.03Å; I1128-L1132 HydrophobicContact CD1-CG 4.45Å
1129	K	34.5	Very low	30	Very low	113 Å²	113	68.9 Å²	68.9	49%	0.491	33%	0.334	S	S	.	.	S	Bend	trans	-68.2	-35.6	171.9	-77.9	-169.9	170.1	-168.7	0	113.7	L1127	L1127-K1129 HydrophobicContact CD2-CD 4.45Å; L1127-K1129 HydrophobicContact CD2-CG 3.83Å
1130	H	36.1	Very low	30.3	Very low	102 Å²	102	63.2 Å²	63.2	47%	0.472	32%	0.324	S	S	.	.	S	Bend	trans	-149.3	-10.2	-170.2	-124	-87.6	0	0	0	118.6
1131	C	32	Very low	30.2	Very low	33 Å²	33	65.9 Å²	65.9	22%	0.223	33%	0.333	C	S	.	.	H	α-helix	trans	-85.8	-17.6	-157.9	-59.4	0	0	0	0	117	L873 I1128 F1133 S1134 I1135	L873-C1131 HydrophobicContact CD1-CB 3.52Å; L873-C1131 HydrophobicContact CG-CB 4Å; L873-C1131 WeakPolarHBondContact O-CB 3.46Å; L873-C1131 PolarHBondContact O-SG 3.23Å; I1128-C1131 HydrophobicContact CG2-CB 3.9Å; C1131-F1133 PolarHBondContact O-N 2.87Å; C1131-S1134 PolarHBondContact O-N 2.81Å; C1131-S1134 VanDerWaalsContact O-N 3.16Å; C1131-I1135 PolarHBondContact O-N 3.4Å
1132	L	33	Very low	30.4	Very low	30 Å²	30	68.2 Å²	68.2	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-20.9	174.5	-100.4	161.5	0	0	0	113.1	L819 I903 V921 I1128	L819-L1132 HydrophobicContact CD1-CD1 3.98Å; L819-L1132 HydrophobicContact CD1-CD2 4.44Å; I903-L1132 HydrophobicContact CG2-CD1 4.25Å; V921-L1132 HydrophobicContact CG1-CD1 4.08Å; I1128-L1132 HydrophobicContact CD1-CD1 4.03Å; I1128-L1132 HydrophobicContact CD1-CG 4.45Å
1133	F	33.7	Very low	30.4	Very low	87 Å²	87	73.4 Å²	73.4	38%	0.382	37%	0.37	S	S	.	.	H	α-helix	trans	-75.2	-41.5	171.5	-82	-97.5	0	0	0	112.3	K816 Q820 I823 C1131	K816-F1133 PolarHBondContact NZ-O 3.02Å; Q820-F1133 HydrophobicContact CG-CE1 3.86Å; Q820-F1133 HydrophobicContact CG-CZ 3.95Å; I823-F1133 HydrophobicContact CD1-CE2 4.29Å; I823-F1133 HydrophobicContact CD1-CZ 3.78Å; C1131-F1133 PolarHBondContact O-N 2.87Å
1134	S	30.6	Very low	30.4	Very low	54 Å²	54	80.7 Å²	80.7	38%	0.378	41%	0.407	S	S	.	.	H	α-helix	trans	-77.4	-23.9	-169.6	-61.4	0	0	0	0	115.8	C1131 T1136 I1137 R1138	C1131-S1134 PolarHBondContact O-N 2.81Å; C1131-S1134 VanDerWaalsContact O-N 3.16Å; S1134-T1136 PolarHBondContact O-N 3.09Å; S1134-I1137 PolarHBondContact O-N 3.17Å; S1134-R1138 PolarHBondContact O-N 3.43Å
1135	I	32.1	Very low	30.7	Very low	46 Å²	46	82.9 Å²	82.9	24%	0.236	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.1	-176.9	-80.9	170.3	0	0	0	113.1	L873 C1131	L873-I1135 HydrophobicContact CB-CD1 4.5Å; L873-I1135 HydrophobicContact CD1-CD1 3.51Å; L873-I1135 HydrophobicContact CD1-CG1 4.33Å; C1131-I1135 PolarHBondContact O-N 3.4Å
1136	T	32	Very low	30.7	Very low	67 Å²	67	95.1 Å²	95.1	41%	0.411	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.7	-177.6	-17.5	0	0	0	0	114.9	K816 S1134	K816-T1136 WeakPolarHBondContact CD-OG1 3.08Å; K816-T1136 PolarHBondContact NZ-OG1 3.25Å; S1134-T1136 PolarHBondContact O-N 3.09Å
1137	I	28.7	Very low	30.7	Very low	103 Å²	103	99.9 Å²	99.9	53%	0.528	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-41.1	-170.6	-64.8	173	0	0	0	111.8	S1134 Q1139	S1134-I1137 PolarHBondContact O-N 3.17Å; I1137-Q1139 VanDerWaalsContact C-N 3.32Å; I1137-Q1139 PolarHBondContact O-N 3.15Å
1138	R	27.2	Very low	30.9	Very low	211 Å²	211	102.6 Å²	102.6	80%	0.796	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.6	-176.5	-76.6	-168	175.9	-172.4	-0.5	116.1	S1134	S1134-R1138 PolarHBondContact O-N 3.43Å
1139	Q	30.8	Very low	30.8	Very low	92 Å²	92	107.9 Å²	107.9	43%	0.43	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-16.3	174.7	-77.4	-171.8	-31.9	0	0	114.6	I1137	I1137-Q1139 VanDerWaalsContact C-N 3.32Å; I1137-Q1139 PolarHBondContact O-N 3.15Å
1140	C	27.8	Very low	30.6	Very low	81 Å²	81	107.6 Å²	107.6	55%	0.547	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.9	174.9	-65.8	0	0	0	0	113.4
1141	N	26.8	Very low	30.3	Very low	115 Å²	115	108 Å²	108	62%	0.615	55%	0.553	S	S	*	*	S	Bend	trans	-91.7	-2.6	-179.7	-76.3	19	0	0	0	114.4
1142	N	28.6	Very low	30.2	Very low	132 Å²	132	113 Å²	113	71%	0.706	58%	0.575	S	S	*	*	S	Bend	trans	-91.4	-11.9	-176.8	-82.9	28.1	0	0	0	114.6
1143	D	29.9	Very low	30	Very low	154 Å²	154	118.9 Å²	118.9	82%	0.824	61%	0.605	S	S	*	*	S	Bend	trans	-98.1	14.7	177.6	-67.5	-32.7	0	0	0	113.1
1144	I	30.8	Very low	29.7	Very low	154 Å²	154	121.4 Å²	121.4	79%	0.79	62%	0.622	S	S	*	*	S	Bend	trans	-132.6	70	172.5	-52.2	174	0	0	0	108.1
1145	G	32.3	Very low	29.6	Very low	59 Å²	59	127 Å²	127	61%	0.608	64%	0.642	S	S	*	*			trans	178.7	22.7	-173	0	0	0	0	0	120.3
1146	Y	28.4	Very low	29.4	Very low	310 Å²	310	134.4 Å²	134.4	100%	1.216	68%	0.679	S	S	*	*			trans	173.8	0	141.7	-100	-66.3	0	0	0	111.6

Retrieved 1,146 of 1,146 residues in 333.2 ms (Link to these results)

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