A0A3Q0KUH5_SCHMA Loading...

DNA 3'-5' helicase

AlphaFold DB , UniProt , Accession A0A3Q0KUH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,088 aa.

						>A0A3Q0KUH5_SCHMA|A0A3Q0KUH5
MNNPKRSNFRGRFFRGRRFPSKSKVQSDGGCKRKPDQIKSPRTCITNSSENGFSQLTDSLGIDSINSGFLNQKALPLASFNKSCPYPGWLLYFPTRLYENSSKVSAYSKITLDFLTDLVQKSGYNLLSNPYTINHVSNFVGNTLDWIKIETQGAVLIDYSSIIHSKLLQDKLQINKYFGDHVIGGIECAEYCEIILRAFGLALHTLCYRTAYKHDSVPDIFKVENESIGVNTRLPGYIAARIVNHSPITPLRKLRAHHLGQFISVKGIVVRLGPVEPVCHRLVFECCRCEMKQVLILPDNGNYATPSKCPTKDCRSRSFEPLLNHPDTLTIDTQIVTIQEASSDNHEIDGNHRDASSSSVTSIGRSARCLACRLERDLIDSCIPGDVLHLTGLIGLISSDGLGASSSSSSSAYSSSWSSRRGATMYSLIMNVNSLICLSGGGGGSNSGRLTGDENQRLLILSSNESEQPDSQIKSDGDMSKVISSLDNEFSMKDLYAIREISEQPNLFRLLVCSLCPSICGRGLIKAGLILALFGGTQSTTDRNVKRRIRLKQHKRQHDQDLTYENNNTHRQVKKRRRSNSHETIDPIDGSTSYRLGFFQNDKNNTFDGDGDDDEEEEKEEYMDNDSIDDSQSDENEENSCMNQSDNDLRLSNYTEFNYESSFVRRSASHVLIVGDPGLGKSQLLRAAASLAPRVLYVCGNTATAAGLTVSTIREGNNSGGGFGLEAGALVLADQGCCCIDEFDKLTCDPAVLLEAMEQQSVSVARGGLVANLPARAAVLAAANPINGHYDITRRLDENLRIPSALLSRFDLIFVLLDHPDEVADRLLSEHVTAVHTGNWRPSSFICSQAVNQRDHCMNNNNQNCNVGARGGTIVQEFDSSIPLSQRLELLVGERIDYIPPILLRKYILYSRKYVMPYLSNEAAITLRDFYLELRKHRHSRDTFPVTLRQLESLIRLTQARARAELREEATKQDALDVCELMQSTGLGSGFIAGTPANVSLSEMNNVLNTTFSKRINSSSTGPGAAKRLLAALELTSKRTNSRLFTISEINTIANDIQINSNCIMTLLDRLNESGAMLKHGTNLYKLV
					

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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	30.2	Very low	30.7	Very low	239 Å²	239	173 Å²	173	100%	1.177	86%	0.863	S	S	*	*				0	120.9	0	-81.4	-179.5	167.7	0	0	109.1
2	N	35.2	Very low	30.6	Very low	167 Å²	167	177.9 Å²	177.9	89%	0.893	86%	0.864	S	S	*	*			trans	46.9	105.2	167.6	-62.3	10.1	0	0	0	119.2
3	N	30.7	Very low	30.2	Very low	163 Å²	163	180.6 Å²	180.6	87%	0.872	87%	0.87	S	S	*	*			trans	-79.3	156.8	179.7	-71.5	-22.7	0	0	0	114.7
4	P	40.6	Very low	30.1	Very low	105 Å²	105	182.1 Å²	182.1	68%	0.682	87%	0.87	S	S	*	*			trans	-109.1	168	163.4	40.6	-33	0	0	0	113.4
5	K	30.9	Very low	30.1	Very low	200 Å²	200	185.6 Å²	185.6	87%	0.87	87%	0.872	S	S	*	*			trans	69.5	111.2	164.7	-55.9	174.3	-176.8	172.4	0	119.2
6	R	29.8	Very low	29.8	Very low	258 Å²	258	178.8 Å²	178.8	97%	0.974	87%	0.867	S	S	*	*			trans	-140	158	132.7	-111.3	-176.9	-178	178.3	3.5	109.4
7	S	28.8	Very low	29.8	Very low	95 Å²	95	182.8 Å²	182.8	66%	0.664	87%	0.87	S	S	*	*			trans	-158.1	153.9	-169.7	58.5	0	0	0	0	113
8	N	29.1	Very low	29.6	Very low	143 Å²	143	186.3 Å²	186.3	77%	0.765	87%	0.874	S	S	*	*			trans	71.8	142.5	178.4	-43.5	-43.7	0	0	0	112.8
9	F	28	Very low	29.4	Very low	202 Å²	202	187.3 Å²	187.3	89%	0.886	88%	0.875	S	S	*	*			cis	-140	127.2	31.9	-112.4	-101.1	0	0	0	113.3
10	R	24.4	Very low	29.5	Very low	260 Å²	260	184.3 Å²	184.3	98%	0.981	87%	0.872	S	S	*	*			trans	-154.5	127.4	153.3	-96.1	-167	177.3	-177.5	-1	110.5
11	G	30	Very low	29.3	Very low	71 Å²	71	180.9 Å²	180.9	73%	0.732	87%	0.869	S	S	*	*			trans	-175.7	156.5	173.9	0	0	0	0	0	111.4
12	R	29.3	Very low	29.3	Very low	232 Å²	232	179.4 Å²	179.4	88%	0.875	86%	0.855	S	S	*	*			cis	-138.8	131.8	-5.1	-78.8	179.6	168.9	173	-3.4	109.5
13	F	25.8	Very low	29.1	Very low	213 Å²	213	177 Å²	177	93%	0.934	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-74.4	129.6	163.5	-81.2	-95	0	0	0	110.1
14	F	29.2	Very low	28.8	Very low	201 Å²	201	179 Å²	179	88%	0.882	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-85.7	121.1	164.8	-106.5	-83.3	0	0	0	110.3
15	R	29.8	Very low	28.2	Very low	235 Å²	235	180.8 Å²	180.8	89%	0.887	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-77.7	136.4	176.6	-74.3	178.3	167.4	177.1	-4.5	110.6
16	G	24.8	Very low	28	Very low	77 Å²	77	179.9 Å²	179.9	79%	0.794	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-66.2	156	176.7	0	0	0	0	0	113.8
17	R	29.5	Very low	27.9	Very low	246 Å²	246	173.3 Å²	173.3	93%	0.928	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-95	136.1	171.1	-71.6	-172.7	174	-159.5	-1.2	110.5
18	R	27	Very low	27.7	Very low	246 Å²	246	177.1 Å²	177.1	93%	0.928	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-79.4	138.9	174.2	-63.1	175.9	177	173.9	-3.1	110.3
19	F	26.2	Very low	27.7	Very low	206 Å²	206	174.2 Å²	174.2	90%	0.904	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-84.3	133.8	159.2	-77.9	-90.3	0	0	0	109.8
20	P	31.3	Very low	27.6	Very low	126 Å²	126	168.4 Å²	168.4	82%	0.818	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-84.1	132.1	167.7	32.8	-31	0	0	0	110.6
21	S	24.3	Very low	27.8	Very low	114 Å²	114	162.6 Å²	162.6	80%	0.797	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-92.4	142.9	175.4	50.3	0	0	0	0	111.8
22	K	30.8	Very low	27.6	Very low	207 Å²	207	168.6 Å²	168.6	90%	0.9	87%	0.872	S	S	*	*			trans	-138.6	130.3	157.4	-79.3	-159.8	173.6	-174.8	0	112.5
23	S	29.9	Very low	27.6	Very low	117 Å²	117	169.8 Å²	169.8	82%	0.818	88%	0.876	S	S	*	*			trans	-19.8	143.5	168.8	49.3	0	0	0	0	120.5
24	K	24.9	Very low	27.8	Very low	204 Å²	204	168.5 Å²	168.5	89%	0.887	87%	0.87	S	S	*	*			trans	-65.6	156.2	152.5	-60.6	173.3	176.6	176.2	0	111.6
25	V	29.1	Very low	27.7	Very low	144 Å²	144	164.8 Å²	164.8	87%	0.873	87%	0.867	S	S	*	*			trans	-154.9	158.7	134.1	142.5	0	0	0	0	107.2
26	Q	25.6	Very low	27.7	Very low	180 Å²	180	160.9 Å²	160.9	84%	0.841	86%	0.863	S	S	*	*			trans	-100.2	157.7	-173.6	-64	154	-96.1	0	0	113.3
27	S	28.8	Very low	27.6	Very low	120 Å²	120	166 Å²	166	84%	0.839	87%	0.866	S	S	*	*			trans	-170.3	161.1	133.6	21.2	0	0	0	0	111.5
28	D	24.7	Very low	27.5	Very low	175 Å²	175	161.5 Å²	161.5	94%	0.936	86%	0.859	S	S	*	*			trans	-81	163.9	-163.5	-58.5	-83.5	0	0	0	116.3
29	G	29	Very low	27.5	Very low	82 Å²	82	158.8 Å²	158.8	85%	0.845	85%	0.854	S	S	*	*			trans	175.9	68.5	175.6	0	0	0	0	0	113
30	G	24.7	Very low	27.5	Very low	81 Å²	81	154.1 Å²	154.1	84%	0.835	85%	0.847	S	S	*	*			trans	-87.7	156.1	-172.4	0	0	0	0	0	115.4
31	C	28.6	Very low	27.4	Very low	138 Å²	138	154.3 Å²	154.3	93%	0.932	85%	0.848	S	S	*	*			trans	-143.2	151.5	159.1	-135.9	0	0	0	0	112.7
32	K	25.4	Very low	27.3	Very low	197 Å²	197	159.8 Å²	159.8	86%	0.857	85%	0.851	S	S	*	*			trans	-99.6	146.7	-168.8	-59.8	162.8	-179.7	169.5	0	111.5
33	R	30.1	Very low	27	Very low	257 Å²	257	155.6 Å²	155.6	97%	0.97	84%	0.844	S	S	*	*			trans	-156.7	157.2	142.9	-105	152.4	-155.4	-138.2	3.1	110.5
34	K	29.2	Very low	26.6	Very low	186 Å²	186	155.7 Å²	155.7	81%	0.809	84%	0.843	S	S	*	*			trans	-93	160.6	-163.8	-64.6	178.6	178.2	180	0	112.6
35	P	28.6	Very low	26.5	Very low	123 Å²	123	153.1 Å²	153.1	80%	0.799	84%	0.837	S	S	*	*			trans	-82.8	142	157.7	34.7	-31.1	0	0	0	110.6
36	D	28.9	Very low	26.4	Very low	153 Å²	153	153 Å²	153	82%	0.818	84%	0.837	S	S	*	*			trans	-118.2	145.1	167	-77.5	-53.2	0	0	0	110.3
37	Q	23.8	Very low	26.2	Very low	183 Å²	183	152 Å²	152	86%	0.855	84%	0.837	S	S	*	*			trans	-90.5	154.4	174.1	-54.8	172.1	0.9	0	0	109.5
38	I	27.3	Very low	26.2	Very low	152 Å²	152	151.4 Å²	151.4	78%	0.779	83%	0.833	S	S	*	*			trans	-170	124.6	137.4	-103.7	152.5	0	0	0	113.3
39	K	26.1	Very low	26.2	Very low	189 Å²	189	147.9 Å²	147.9	82%	0.822	82%	0.822	S	S	*	*			trans	44.1	120	147.4	-54.3	175.3	-176.1	177.5	0	121.4
40	S	26.9	Very low	26	Very low	109 Å²	109	151.7 Å²	151.7	76%	0.762	82%	0.818	S	S	*	*			trans	-85.6	170.5	138.2	56.5	0	0	0	0	111
41	P	28.6	Very low	26	Very low	129 Å²	129	154.9 Å²	154.9	84%	0.838	82%	0.816	S	S	*	*			trans	-139.5	-174.4	130.3	37.3	-23.6	0	0	0	113.6
42	R	22.9	Very low	25.8	Very low	229 Å²	229	151.6 Å²	151.6	86%	0.864	81%	0.806	S	S	*	*			trans	-116.3	150.7	-177.6	-67.4	176	167.2	171	-5.8	112.3
43	T	23.8	Very low	25.7	Very low	120 Å²	120	152.9 Å²	152.9	74%	0.736	81%	0.812	S	S	*	*			trans	38.9	123	143.2	59.1	0	0	0	0	121.3
44	C	21.6	Very low	25.5	Very low	118 Å²	118	146.2 Å²	146.2	80%	0.797	81%	0.805	S	S	*	*				169.9	130.9	107.6	-91.2	0	0	0	0	115.9
45	I	23.5	Very low	25.2	Very low	150 Å²	150	146.4 Å²	146.4	77%	0.769	81%	0.808	S	S	*	*			trans	8	126.2	147.6	-48.9	171.7	0	0	0	119.9
46	T	25.4	Very low	24.9	Very low	141 Å²	141	148.6 Å²	148.6	87%	0.865	81%	0.812	S	S	*	*				-174.4	164.8	124.3	18.3	0	0	0	0	112.3
47	N	23.3	Very low	24.7	Very low	160 Å²	160	147.9 Å²	147.9	86%	0.856	81%	0.814	S	S	*	*			trans	-111.8	148.9	-167.6	-62.4	-13.2	0	0	0	114.2
48	S	28.1	Very low	24.6	Very low	108 Å²	108	147.3 Å²	147.3	76%	0.755	82%	0.816	S	S	*	*			trans	-167.9	123.4	143.3	55	0	0	0	0	113
49	S	24.8	Very low	24.5	Very low	101 Å²	101	145.5 Å²	145.5	71%	0.706	82%	0.817	S	S	*	*			trans	16.5	143.6	136.2	58.5	0	0	0	0	120.2
50	E	24	Very low	24.4	Very low	161 Å²	161	142.2 Å²	142.2	75%	0.752	81%	0.808	S	S	*	*			cis	-168.6	173.2	17.2	-138.6	172	-129.5	0	0	114.3
51	N	25.2	Very low	24.3	Very low	148 Å²	148	140.8 Å²	140.8	79%	0.791	81%	0.811	S	S	*	*			trans	70.5	120.4	159.4	-63.2	-49.1	0	0	0	120.7
52	G	24.4	Very low	24.1	Very low	70 Å²	70	140.8 Å²	140.8	72%	0.722	80%	0.803	S	S	*	*			trans	145.1	71.3	155.2	0	0	0	0	0	119.1
53	F	24	Very low	24.2	Very low	224 Å²	224	137 Å²	137	98%	0.982	80%	0.8	S	S	*	*			trans	48.8	69.2	158.7	-88.3	-88.4	0	0	0	118.6
54	S	24.5	Very low	24.4	Very low	117 Å²	117	136.4 Å²	136.4	82%	0.818	80%	0.8	S	S	*	*			trans	-149.7	133.3	149.6	59.8	0	0	0	0	112.3
55	Q	22.9	Very low	24.9	Very low	190 Å²	190	134.7 Å²	134.7	89%	0.888	78%	0.782	S	S	*	*			trans	-139.8	152.7	163.6	-74.9	-169.8	-9.6	0	0	107.9
56	L	23.5	Very low	25.3	Very low	168 Å²	168	131.3 Å²	131.3	88%	0.88	77%	0.766	S	S	*	*	S	Bend	trans	74.7	42.7	176.8	-54.8	175.3	0	0	0	118.7
57	T	24.7	Very low	25.8	Very low	138 Å²	138	125.5 Å²	125.5	85%	0.847	73%	0.731	S	S	*	*			trans	-162.8	99.1	135.7	44.6	0	0	0	0	111.1
58	D	21.4	Very low	26.7	Very low	171 Å²	171	120.1 Å²	120.1	91%	0.914	71%	0.713	S	S	*	*			trans	-161.2	72.9	163	-127.1	-19.2	0	0	0	112.7
59	S	24.7	Very low	27.2	Very low	114 Å²	114	117.9 Å²	117.9	80%	0.797	69%	0.69	S	S	*	*	S	Bend	trans	-161.6	27.8	173.3	64.4	0	0	0	0	114.8
60	L	24.4	Very low	27.9	Very low	120 Å²	120	116.8 Å²	116.8	63%	0.628	68%	0.675	S	S	*	*			trans	-134.5	121.3	175.1	-74.2	176.6	0	0	0	110.7	I62	L60-I62 PolarHBondContact O-N 3.33Å; L60-I62 VanDerWaalsContact O-N 3.13Å
61	G	23.8	Very low	28.8	Very low	80 Å²	80	112 Å²	112	83%	0.825	66%	0.655	S	S	*	*			trans	-66.2	108.4	168.7	0	0	0	0	0	110.2	D63	G61-D63 PolarHBondContact O-N 3.13Å
62	I	25	Very low	30.2	Very low	129 Å²	129	109.9 Å²	109.9	66%	0.662	64%	0.64	S	S	*	*			trans	-91.1	80.9	173.5	-59.4	-179.6	0	0	0	107.7	L60 S64 I65	L60-I62 PolarHBondContact O-N 3.33Å; L60-I62 VanDerWaalsContact O-N 3.13Å; I62-S64 PolarHBondContact O-N 3.38Å; I62-I65 HydrophobicContact CG2-CD1 3.85Å; I62-I65 HydrophobicContact CG2-CG1 3.88Å
63	D	25.5	Very low	32.1	Very low	150 Å²	150	112.7 Å²	112.7	80%	0.802	63%	0.633	S	S	*	*			trans	-61.1	128	161.4	-78.1	-53.4	0	0	0	108.5	G61 I65	G61-D63 PolarHBondContact O-N 3.13Å; D63-I65 WeakPolarHBondContact O-CG1 3.34Å; D63-I65 PolarHBondContact O-N 2.92Å
64	S	28.1	Very low	34.4	Very low	106 Å²	106	103.2 Å²	103.2	74%	0.741	60%	0.596	S	S	*	*			trans	-42.4	102.3	-162	56.8	0	0	0	0	114.2	I62 N66	I62-S64 PolarHBondContact O-N 3.38Å; S64-N66 PolarHBondContact O-N 2.95Å
65	I	32	Very low	37.1	Very low	82 Å²	82	100.2 Å²	100.2	42%	0.421	57%	0.571	S	S	.	*			trans	-76	110.9	-171.9	-57.5	179.2	0	0	0	110.2	I62 D63 S67 E190	I62-I65 HydrophobicContact CG2-CD1 3.85Å; I62-I65 HydrophobicContact CG2-CG1 3.88Å; D63-I65 WeakPolarHBondContact O-CG1 3.34Å; D63-I65 PolarHBondContact O-N 2.92Å; I65-S67 PolarHBondContact O-N 3.27Å; I65-S67 VanDerWaalsContact O-N 3.14Å; I65-E190 VanDerWaalsContact CG2-CD 3.5Å; I65-E190 WeakPolarHBondContact CG2-OE1 3.38Å; I65-E190 WeakPolarHBondContact CG2-OE2 3.46Å
66	N	32.4	Very low	40	Very low	80 Å²	80	95.3 Å²	95.3	43%	0.428	56%	0.555	S	S	.	*			trans	-79.3	91.5	171.3	-77.3	-39.7	0	0	0	110.1	S64 R96	S64-N66 PolarHBondContact O-N 2.95Å; N66-R96 PolarHBondContact O-NH2 3.22Å
67	S	35.4	Very low	42.8	Very low	19 Å²	19	89.4 Å²	89.4	13%	0.133	52%	0.524	C	S	.	.			trans	-76.5	137.6	169.1	69.1	0	0	0	0	111.1	I65 F69 N71 E190	I65-S67 PolarHBondContact O-N 3.27Å; I65-S67 VanDerWaalsContact O-N 3.14Å; S67-F69 VanDerWaalsContact C-N 3.27Å; S67-F69 PolarHBondContact O-N 2.79Å; S67-N71 WeakPolarHBondContact O-CB 3.25Å; S67-N71 PolarHBondContact O-N 3.27Å; S67-N71 PolarHBondContact O-ND2 3.47Å; S67-N71 VanDerWaalsContact O-ND2 3.12Å; S67-E190 WeakPolarHBondContact CA-OE2 3.46Å; S67-E190 WeakPolarHBondContact CB-OE2 3.46Å
68	G	40.8	Very low	45.6	Very low	46 Å²	46	83.6 Å²	83.6	47%	0.474	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30	175.7	0	0	0	0	0	112.7	L70	G68-L70 PolarHBondContact O-N 3.36Å
69	F	40.3	Very low	48.4	Very low	62 Å²	62	79.2 Å²	79.2	27%	0.272	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-23.5	-179.9	-112.8	-105.4	0	0	0	115.5	S67 I186 A189 L259	S67-F69 VanDerWaalsContact C-N 3.27Å; S67-F69 PolarHBondContact O-N 2.79Å; F69-I186 HydrophobicContact CB-CG2 4.46Å; F69-A189 HydrophobicContact CD2-CB 3.91Å; F69-A189 HydrophobicContact CE1-CB 4.19Å; F69-A189 HydrophobicContact CE2-CB 3.5Å; F69-A189 HydrophobicContact CG-CB 4.43Å; F69-A189 HydrophobicContact CZ-CB 3.65Å; F69-L259 HydrophobicContact CE1-CD1 4.14Å
70	L	38.5	Very low	51	Low	77 Å²	77	76.1 Å²	76.1	40%	0.403	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	-22	-174.4	-73	158.9	0	0	0	114.8	G68 Q72 I186 W417	G68-L70 PolarHBondContact O-N 3.36Å; L70-Q72 PolarHBondContact O-N 3.06Å; L70-I186 HydrophobicContact CD1-CG2 4.29Å; L70-W417 HydrophobicContact CD1-CH2 3.25Å; L70-W417 HydrophobicContact CD1-CZ2 3.47Å; L70-W417 VanDerWaalsContact CD1-CZ2 3.47Å; L70-W417 HydrophobicContact CD1-CZ3 4Å; L70-W417 HydrophobicContact CD2-CH2 4.34Å; L70-W417 HydrophobicContact CD2-CZ2 3.66Å; L70-W417 HydrophobicContact CG-CH2 4.43Å; L70-W417 HydrophobicContact CG-CZ2 4.23Å
71	N	42.7	Very low	53.7	Low	62 Å²	62	72.9 Å²	72.9	33%	0.332	43%	0.429	S	S	.	.			trans	-81.6	87.2	-174.5	-82.9	-65.6	0	0	0	113.4	S67 K73	S67-N71 WeakPolarHBondContact O-CB 3.25Å; S67-N71 PolarHBondContact O-N 3.27Å; S67-N71 PolarHBondContact O-ND2 3.47Å; S67-N71 VanDerWaalsContact O-ND2 3.12Å; N71-K73 PolarHBondContact O-N 3.04Å
72	Q	54.5	Low	56.4	Low	102 Å²	102	76.2 Å²	76.2	48%	0.477	42%	0.42	S	S	.	.			trans	-70.7	36.2	173.3	-56.5	-176	-16.3	0	0	114.3	L70	L70-Q72 PolarHBondContact O-N 3.06Å
73	K	64.4	Low	59.1	Low	129 Å²	129	74 Å²	74	56%	0.561	42%	0.417	S	S	*	.	S	Bend	trans	-129.3	129.4	-175.7	-71.3	179.8	-179.2	171.3	0	110.6	N71	N71-K73 PolarHBondContact O-N 3.04Å
74	A	73.6	Confident	61.9	Low	26 Å²	26	67.6 Å²	67.6	22%	0.215	38%	0.383	C	S	.	.			trans	-63.2	142.4	171.5	0	0	0	0	0	111.4	L295 I296 L297 A304	A74-L295 HydrophobicContact CB-CD1 4.39Å; A74-I296 CarbonylContact C-O 3.59Å; A74-I296 WeakPolarHBondContact CA-O 3.39Å; A74-I296 VanDerWaalsContact CB-O 3.32Å; A74-I296 WeakPolarHBondContact CB-O 3.22Å; A74-L297 HydrophobicContact CB-CD2 3.84Å; A74-A304 HydrophobicContact CB-CB 3.83Å
75	L	81.4	Confident	64.7	Low	54 Å²	54	65.6 Å²	65.6	28%	0.283	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.3	-176.8	-69.9	171	0	0	0	110	T95 L295 I296	L75-T95 HydrophobicContact CB-CG2 4.16Å; L75-T95 HydrophobicContact CD1-CG2 3.84Å; L75-L295 WeakPolarHBondContact O-CA 3.31Å; L75-I296 PolarHBondContact N-O 2.86Å; L75-I296 PolarHBondContact O-N 2.84Å
76	P	82.1	Confident	67.5	Low	86 Å²	86	62.1 Å²	62.1	56%	0.558	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	146	171.7	29.7	-34.5	0	0	0	110.9	A78 L295	P76-A78 PolarHBondContact O-N 2.86Å; P76-L295 HydrophobicContact CB-CD2 4.43Å
77	L	84	Confident	70	Confident	44 Å²	44	59.8 Å²	59.8	23%	0.23	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-59.4	132	168.5	-178.3	69.1	0	0	0	110.2	P94 V294 I296	L77-P94 HydrophobicContact CD1-CB 3.89Å; L77-V294 HydrophobicContact CB-CB 3.86Å; L77-V294 HydrophobicContact CB-CG1 4.34Å; L77-V294 HydrophobicContact CD2-CB 3.87Å; L77-V294 HydrophobicContact CD2-CG1 4.21Å; L77-V294 HydrophobicContact CD2-CG2 3.94Å; L77-V294 PolarHBondContact N-O 3.2Å; L77-I296 HydrophobicContact CB-CD1 4.47Å; L77-I296 HydrophobicContact CD1-CD1 4.11Å; L77-I296 HydrophobicContact CD1-CG1 4.45Å
78	A	82.1	Confident	72.4	Confident	16 Å²	16	58.9 Å²	58.9	13%	0.132	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.4	145.9	176.6	0	0	0	0	0	111.2	P76 L90 P94	P76-A78 PolarHBondContact O-N 2.86Å; A78-L90 HydrophobicContact CB-CD2 4.03Å; A78-L90 WeakPolarHBondContact O-CD1 3.33Å; A78-L90 WeakPolarHBondContact O-CD2 3.38Å; A78-P94 WeakPolarHBondContact CB-O 3.49Å; A78-P94 PolarHBondContact N-O 3.3Å
79	S	80.8	Confident	74.7	Confident	80 Å²	80	56.9 Å²	56.9	56%	0.559	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-70.9	140.3	174.1	47.9	0	0	0	0	111.2	N81	S79-N81 PolarHBondContact O-N 3.03Å
80	F	80.2	Confident	77	Confident	48 Å²	48	55.2 Å²	55.2	21%	0.211	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70.5	119.2	175.8	-171.2	-93.9	0	0	0	110.4	K82 C84 W89 L90 F221	F80-K82 PolarHBondContact O-N 3.12Å; F80-C84 HydrophobicContact CE2-CB 4.32Å; F80-C84 HydrophobicContact CZ-CB 3.97Å; F80-W89 HydrophobicContact CE2-CB 4.47Å; F80-L90 HydrophobicContact CB-CD1 3.81Å; F80-L90 HydrophobicContact CD2-CD1 4.09Å; F80-L90 HydrophobicContact CD2-CG 4.23Å; F80-L90 HydrophobicContact CG-CD1 4.47Å; F80-F221 HydrophobicContact CB-CD2 4.25Å; F80-F221 HydrophobicContact CB-CE1 4.09Å; F80-F221 HydrophobicContact CB-CE2 3.69Å; F80-F221 HydrophobicContact CB-CZ 3.6Å; F80-F221 AromaticContact CD1-CD2 3.64Å; F80-F221 HydrophobicContact CD1-CD2 3.64Å; F80-F221 AromaticContact CD1-CE2 3.32Å; F80-F221 HydrophobicContact CD1-CE2 3.32Å; F80-F221 HydrophobicContact CD1-CZ 4.14Å; F80-F221 AromaticContact CD2-CE2 3.88Å; F80-F221 HydrophobicContact CD2-CE2 3.88Å; F80-F221 HydrophobicContact CD2-CZ 4.08Å; F80-F221 HydrophobicContact CE1-CD2 4.23Å; F80-F221 AromaticContact CE1-CE2 3.87Å; F80-F221 HydrophobicContact CE1-CE2 3.87Å; F80-F221 HydrophobicContact CE2-CE2 4.37Å; F80-F221 HydrophobicContact CG-CD2 4.03Å; F80-F221 AromaticContact CG-CE2 3.33Å; F80-F221 HydrophobicContact CG-CE2 3.33Å; F80-F221 AromaticContact CG-CZ 3.67Å; F80-F221 HydrophobicContact CG-CZ 3.67Å; F80-F221 HydrophobicContact CZ-CE2 4.36Å
81	N	80.6	Confident	79.3	Confident	53 Å²	53	55 Å²	55	28%	0.283	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-78.4	117.5	173	-173.5	-5.7	0	0	0	109.5	S79 S83 C84 L97 Y98	S79-N81 PolarHBondContact O-N 3.03Å; N81-S83 PolarHBondContact ND2-OG 3.27Å; N81-S83 PolarHBondContact O-N 2.94Å; N81-S83 PolarHBondContact OD1-N 3.3Å; N81-S83 PolarHBondContact OD1-OG 2.75Å; N81-C84 WeakPolarHBondContact O-CB 3.32Å; N81-C84 PolarHBondContact O-N 3.33Å; N81-L97 HydrophobicContact CB-CD2 3.96Å; N81-Y98 PolarHBondContact ND2-O 3.14Å
82	K	79.2	Confident	81.5	Confident	150 Å²	150	52.1 Å²	52.1	65%	0.652	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.4	-178.4	-65.1	-167.1	175.9	-164.8	0	114.3	F80	F80-K82 PolarHBondContact O-N 3.12Å
83	S	82.8	Confident	83.3	Confident	83 Å²	83	47.6 Å²	47.6	58%	0.58	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	3.6	172.1	65.8	0	0	0	0	114.7	N81	N81-S83 PolarHBondContact ND2-OG 3.27Å; N81-S83 PolarHBondContact O-N 2.94Å; N81-S83 PolarHBondContact OD1-N 3.3Å; N81-S83 PolarHBondContact OD1-OG 2.75Å
84	C	84.6	Confident	84.2	Confident	15 Å²	15	42.8 Å²	42.8	10%	0.101	25%	0.248	C	C	.	.			trans	-68.8	124.5	176.7	-173.2	0	0	0	0	111.5	F80 N81 Y86 Y98	F80-C84 HydrophobicContact CE2-CB 4.32Å; F80-C84 HydrophobicContact CZ-CB 3.97Å; N81-C84 WeakPolarHBondContact O-CB 3.32Å; N81-C84 PolarHBondContact O-N 3.33Å; C84-Y86 PolarHBondContact O-N 3.14Å; C84-Y86 PolarHBondContact SG-O 3.11Å; C84-Y86 VanDerWaalsContact SG-O 3.36Å; C84-Y98 HydrophobicContact CB-CD1 3.84Å; C84-Y98 HydrophobicContact CB-CD2 4.3Å; C84-Y98 HydrophobicContact CB-CE1 4.49Å; C84-Y98 HydrophobicContact CB-CG 3.73Å; C84-Y98 VanDerWaalsContact SG-CD2 3.53Å; C84-Y98 VanDerWaalsContact SG-CG 3.57Å
85	P	86.6	Confident	84.6	Confident	63 Å²	63	44.4 Å²	44.4	41%	0.409	26%	0.255	S	S	.	.	S	Bend	trans	-82.3	2.5	178.9	35	-35.6	0	0	0	113.7	Y98	P85-Y98 VanDerWaalsContact CD-CZ 3.46Å
86	Y	90	Very high	84.6	Confident	10 Å²	10	45 Å²	45	4%	0.039	25%	0.254	C	S	.	.			trans	-117	105.1	-178.5	-47.6	-78.3	0	0	0	109.6	C84 G88 W89 Y98 K109 L112 L201 T205	C84-Y86 PolarHBondContact O-N 3.14Å; C84-Y86 PolarHBondContact SG-O 3.11Å; C84-Y86 VanDerWaalsContact SG-O 3.36Å; Y86-G88 VanDerWaalsContact C-N 3.32Å; Y86-G88 PolarHBondContact O-N 3.19Å; Y86-W89 AromaticContact CD2-CE3 3.77Å; Y86-W89 HydrophobicContact CD2-CE3 3.77Å; Y86-W89 AromaticContact CD2-CZ3 3.98Å; Y86-W89 HydrophobicContact CD2-CZ3 3.98Å; Y86-W89 HydrophobicContact CE2-CZ3 4.29Å; Y86-W89 HydrophobicContact CG-CE3 4.38Å; Y86-W89 WeakPolarHBondContact O-CB 3.28Å; Y86-W89 PolarHBondContact O-N 3.29Å; Y86-Y98 HydrophobicContact CD2-CD2 4.44Å; Y86-Y98 AromaticContact CD2-CE2 3.91Å; Y86-Y98 HydrophobicContact CD2-CE2 3.91Å; Y86-Y98 AromaticContact CE2-CE2 3.83Å; Y86-Y98 HydrophobicContact CE2-CE2 3.83Å; Y86-K109 VanDerWaalsContact OH-CA 3.26Å; Y86-K109 WeakPolarHBondContact OH-CA 3.22Å; Y86-K109 WeakPolarHBondContact OH-CB 3.37Å; Y86-K109 PolarHBondContact OH-N 3.44Å; Y86-K109 VanDerWaalsContact OH-N 3.16Å; Y86-L112 HydrophobicContact CD1-CD2 4.45Å; Y86-L112 HydrophobicContact CE1-CD2 3.89Å; Y86-L201 HydrophobicContact CD1-CD2 4.39Å; Y86-L201 HydrophobicContact CD1-CG 4.47Å; Y86-L201 HydrophobicContact CD2-CD2 4.46Å; Y86-L201 HydrophobicContact CG-CD2 4.07Å; Y86-L201 HydrophobicContact CG-CG 4.42Å; Y86-T205 HydrophobicContact CD1-CG2 4.15Å
87	P	85.3	Confident	84.8	Confident	31 Å²	31	44.9 Å²	44.9	20%	0.201	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-35.5	-173.8	26.5	-34.2	0	0	0	112.2	W89 Y208 L234	P87-W89 PolarHBondContact O-N 2.93Å; P87-Y208 HydrophobicContact CB-CD1 4.43Å; P87-Y208 HydrophobicContact CB-CG 4.46Å; P87-Y208 HydrophobicContact CG-CD1 3.65Å; P87-Y208 HydrophobicContact CG-CD2 4.29Å; P87-Y208 HydrophobicContact CG-CE1 4.28Å; P87-Y208 HydrophobicContact CG-CG 3.66Å; P87-L234 HydrophobicContact CB-CD2 3.9Å
88	G	86.1	Confident	84.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	8.9	176.3	0	0	0	0	0	115.9	Y86 L90 L91 Y92 L201 H204	Y86-G88 VanDerWaalsContact C-N 3.32Å; Y86-G88 PolarHBondContact O-N 3.19Å; G88-L90 VanDerWaalsContact C-N 3.3Å; G88-L90 PolarHBondContact O-N 2.72Å; G88-L90 VanDerWaalsContact O-N 3.14Å; G88-L91 WeakPolarHBondContact O-CA 3.22Å; G88-L91 VanDerWaalsContact O-CB 3.29Å; G88-L91 WeakPolarHBondContact O-CB 3.13Å; G88-L91 PolarHBondContact O-N 3.11Å; G88-Y92 WeakPolarHBondContact O-CD2 3.1Å; G88-L201 VanDerWaalsContact C-CD1 3.46Å; G88-H204 VanDerWaalsContact CA-CE1 3.46Å; G88-H204 WeakPolarHBondContact CA-CE1 3.33Å; G88-H204 WeakPolarHBondContact CA-ND1 3.39Å; G88-H204 PolarHBondContact N-ND1 3.48Å
89	W	89.9	Confident	85.1	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-51.4	-44.4	-170.6	-176.1	-88.1	0	0	0	113.8	F80 Y86 P87 L91 Y92 F93 R96 Y98 V104 L201	F80-W89 HydrophobicContact CE2-CB 4.47Å; Y86-W89 AromaticContact CD2-CE3 3.77Å; Y86-W89 HydrophobicContact CD2-CE3 3.77Å; Y86-W89 AromaticContact CD2-CZ3 3.98Å; Y86-W89 HydrophobicContact CD2-CZ3 3.98Å; Y86-W89 HydrophobicContact CE2-CZ3 4.29Å; Y86-W89 HydrophobicContact CG-CE3 4.38Å; Y86-W89 WeakPolarHBondContact O-CB 3.28Å; Y86-W89 PolarHBondContact O-N 3.29Å; P87-W89 PolarHBondContact O-N 2.93Å; W89-L91 VanDerWaalsContact C-N 3.26Å; W89-L91 PolarHBondContact O-N 3.32Å; W89-Y92 PolarHBondContact O-N 3.02Å; W89-F93 HydrophobicContact CD2-CD2 4.26Å; W89-F93 HydrophobicContact CE3-CD2 4.18Å; W89-F93 HydrophobicContact CH2-CD2 4.17Å; W89-F93 HydrophobicContact CZ2-CB 4.31Å; W89-F93 HydrophobicContact CZ2-CD2 4.24Å; W89-F93 HydrophobicContact CZ3-CD2 4.12Å; W89-F93 HydrophobicContact CZ3-CE2 4.49Å; W89-F93 PolarHBondContact O-N 3.49Å; W89-R96 PolarHBondContact NE1-O 3.36Å; W89-Y98 AromaticContact CD2-CD2 3.87Å; W89-Y98 HydrophobicContact CD2-CD2 3.87Å; W89-Y98 AromaticContact CE2-CD2 3.96Å; W89-Y98 AromaticContact CE3-CD2 3.67Å; W89-Y98 HydrophobicContact CE3-CD2 3.67Å; W89-Y98 HydrophobicContact CE3-CE2 4.24Å; W89-Y98 AromaticContact CH2-CD2 3.7Å; W89-Y98 HydrophobicContact CH2-CD2 3.7Å; W89-Y98 HydrophobicContact CH2-CE2 4.2Å; W89-Y98 AromaticContact CZ2-CD2 3.88Å; W89-Y98 HydrophobicContact CZ2-CD2 3.88Å; W89-Y98 AromaticContact CZ3-CD2 3.6Å; W89-Y98 HydrophobicContact CZ3-CD2 3.6Å; W89-Y98 AromaticContact CZ3-CE2 3.91Å; W89-Y98 HydrophobicContact CZ3-CE2 3.91Å; W89-V104 HydrophobicContact CH2-CB 4.11Å; W89-V104 HydrophobicContact CH2-CG1 3.64Å; W89-V104 HydrophobicContact CZ2-CG1 4.16Å; W89-V104 HydrophobicContact CZ3-CG1 4.41Å; W89-L201 HydrophobicContact CE3-CD2 3.63Å; W89-L201 HydrophobicContact CZ3-CD2 3.98Å
90	L	87.3	Confident	85.1	Confident	26 Å²	26	50.2 Å²	50.2	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-78.4	0.5	178.4	-66.2	178	0	0	0	114.9	A78 F80 G88 P94	A78-L90 HydrophobicContact CB-CD2 4.03Å; A78-L90 WeakPolarHBondContact O-CD1 3.33Å; A78-L90 WeakPolarHBondContact O-CD2 3.38Å; F80-L90 HydrophobicContact CB-CD1 3.81Å; F80-L90 HydrophobicContact CD2-CD1 4.09Å; F80-L90 HydrophobicContact CD2-CG 4.23Å; F80-L90 HydrophobicContact CG-CD1 4.47Å; G88-L90 VanDerWaalsContact C-N 3.3Å; G88-L90 PolarHBondContact O-N 2.72Å; G88-L90 VanDerWaalsContact O-N 3.14Å; L90-P94 WeakPolarHBondContact O-CB 3.47Å
91	L	86.6	Confident	85.2	Confident	72 Å²	72	53.3 Å²	53.3	38%	0.377	29%	0.292	S	S	.	.	H	α-helix	trans	-85.8	-33.1	167.8	-59.8	174.1	0	0	0	111.6	G88 W89	G88-L91 WeakPolarHBondContact O-CA 3.22Å; G88-L91 VanDerWaalsContact O-CB 3.29Å; G88-L91 WeakPolarHBondContact O-CB 3.13Å; G88-L91 PolarHBondContact O-N 3.11Å; W89-L91 VanDerWaalsContact C-N 3.26Å; W89-L91 PolarHBondContact O-N 3.32Å
92	Y	90.2	Very high	85.6	Confident	3 Å²	3	52 Å²	52	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-105.8	-32.8	-175.6	-59.8	-89.6	0	0	0	113.1	G88 W89 P94 R197 G200 L201 H204 Y237 I238	G88-Y92 WeakPolarHBondContact O-CD2 3.1Å; W89-Y92 PolarHBondContact O-N 3.02Å; Y92-P94 WeakPolarHBondContact O-CD 3.15Å; Y92-R197 WeakPolarHBondContact O-CD 3.48Å; Y92-G200 VanDerWaalsContact CE1-C 3.4Å; Y92-G200 VanDerWaalsContact CZ-C 3.44Å; Y92-G200 PolarHBondContact OH-O 3.11Å; Y92-L201 HydrophobicContact CD2-CB 3.82Å; Y92-L201 HydrophobicContact CD2-CD1 3.63Å; Y92-L201 HydrophobicContact CD2-CG 4.34Å; Y92-L201 HydrophobicContact CE2-CB 4.37Å; Y92-L201 HydrophobicContact CE2-CD1 4.21Å; Y92-L201 HydrophobicContact CG-CB 3.94Å; Y92-L201 HydrophobicContact CG-CD1 4.42Å; Y92-H204 HydrophobicContact CE2-CB 3.79Å; Y92-Y237 HydrophobicContact CD1-CD2 4.26Å; Y92-Y237 AromaticContact CD1-CE2 3.58Å; Y92-Y237 HydrophobicContact CD1-CE2 3.58Å; Y92-Y237 AromaticContact CE1-CD2 3.75Å; Y92-Y237 HydrophobicContact CE1-CD2 3.75Å; Y92-Y237 AromaticContact CE1-CE2 3.31Å; Y92-Y237 HydrophobicContact CE1-CE2 3.31Å; Y92-Y237 AromaticContact CE1-CZ 3.77Å; Y92-Y237 HydrophobicContact CG-CE2 4.45Å; Y92-Y237 AromaticContact CZ-CD2 3.98Å; Y92-I238 PolarHBondContact OH-N 3.23Å; Y92-I238 PolarHBondContact OH-O 3.27Å; Y92-I238 VanDerWaalsContact OH-O 3.1Å
93	F	90.4	Very high	85.8	Confident	6 Å²	6	49 Å²	49	3%	0.026	27%	0.274	C	S	.	.			trans	-125.6	56.4	-179.5	-59.2	-64	0	0	0	112.3	W89 T95 R96 V104 I194 R197 A198 L201	W89-F93 HydrophobicContact CD2-CD2 4.26Å; W89-F93 HydrophobicContact CE3-CD2 4.18Å; W89-F93 HydrophobicContact CH2-CD2 4.17Å; W89-F93 HydrophobicContact CZ2-CB 4.31Å; W89-F93 HydrophobicContact CZ2-CD2 4.24Å; W89-F93 HydrophobicContact CZ3-CD2 4.12Å; W89-F93 HydrophobicContact CZ3-CE2 4.49Å; W89-F93 PolarHBondContact O-N 3.49Å; F93-T95 VanDerWaalsContact C-N 3.26Å; F93-T95 PolarHBondContact O-N 3.26Å; F93-T95 VanDerWaalsContact O-N 3.17Å; F93-R96 HydrophobicContact CB-CB 4.39Å; F93-R96 PolarHBondContact O-N 3.2Å; F93-V104 HydrophobicContact CD1-CG1 3.91Å; F93-V104 HydrophobicContact CD2-CG1 3.8Å; F93-V104 HydrophobicContact CE1-CG1 3.69Å; F93-V104 HydrophobicContact CE2-CG1 3.58Å; F93-V104 HydrophobicContact CG-CG1 3.97Å; F93-V104 HydrophobicContact CZ-CG1 3.52Å; F93-I194 HydrophobicContact CE1-CG2 4.22Å; F93-I194 HydrophobicContact CZ-CG2 4.33Å; F93-R197 HydrophobicContact CD1-CB 4.48Å; F93-R197 HydrophobicContact CE1-CB 3.62Å; F93-R197 HydrophobicContact CE2-CB 4.49Å; F93-R197 HydrophobicContact CZ-CB 3.62Å; F93-A198 HydrophobicContact CZ-CB 4.45Å; F93-L201 HydrophobicContact CD2-CD2 4.03Å; F93-L201 HydrophobicContact CE2-CD2 3.82Å
94	P	84.9	Confident	86.1	Confident	29 Å²	29	45.6 Å²	45.6	19%	0.188	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.6	-168.3	30.1	-38.6	0	0	0	114.1	L77 A78 L90 Y92 I296	L77-P94 HydrophobicContact CD1-CB 3.89Å; A78-P94 WeakPolarHBondContact CB-O 3.49Å; A78-P94 PolarHBondContact N-O 3.3Å; L90-P94 WeakPolarHBondContact O-CB 3.47Å; Y92-P94 WeakPolarHBondContact O-CD 3.15Å; P94-I296 VanDerWaalsContact C-CD1 3.42Å; P94-I296 HydrophobicContact CB-CD1 3.61Å; P94-I296 HydrophobicContact CB-CG1 4.41Å; P94-I296 HydrophobicContact CG-CD1 4.02Å; P94-I296 WeakPolarHBondContact O-CD1 2.87Å
95	T	81.2	Confident	86.2	Confident	60 Å²	60	45.2 Å²	45.2	37%	0.368	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.5	176.6	51.4	0	0	0	0	114.2	L75 F93 I296	L75-T95 HydrophobicContact CB-CG2 4.16Å; L75-T95 HydrophobicContact CD1-CG2 3.84Å; F93-T95 VanDerWaalsContact C-N 3.26Å; F93-T95 PolarHBondContact O-N 3.26Å; F93-T95 VanDerWaalsContact O-N 3.17Å; T95-I296 HydrophobicContact CG2-CB 4.44Å; T95-I296 HydrophobicContact CG2-CD1 3.5Å; T95-I296 VanDerWaalsContact CG2-CD1 3.5Å; T95-I296 HydrophobicContact CG2-CG2 4.31Å
96	R	82.4	Confident	86.4	Confident	67 Å²	67	44.4 Å²	44.4	25%	0.253	25%	0.246	S	C	.	.	S	Bend	trans	-116.9	122.2	-170.9	-59.7	-171.5	-178.3	-167.3	-1.8	111.1	N66 W89 F93 E190	N66-R96 PolarHBondContact O-NH2 3.22Å; W89-R96 PolarHBondContact NE1-O 3.36Å; F93-R96 HydrophobicContact CB-CB 4.39Å; F93-R96 PolarHBondContact O-N 3.2Å; R96-E190 IonicContact CZ-OE1 3.51Å; R96-E190 IonicContact NH1-OE1 3.4Å; R96-E190 PolarHBondContact NH1-OE1 3.4Å; R96-E190 IonicContact NH2-OE1 2.85Å; R96-E190 PolarHBondContact NH2-OE1 2.91Å
97	L	84.9	Confident	86.4	Confident	83 Å²	83	45.3 Å²	45.3	44%	0.435	25%	0.249	S	C	.	.			trans	-67	141.2	171.8	-138.6	161	0	0	0	108.9	N81 E99	N81-L97 HydrophobicContact CB-CD2 3.96Å; L97-E99 PolarHBondContact O-N 2.98Å
98	Y	86	Confident	86.8	Confident	8 Å²	8	43.9 Å²	43.9	3%	0.031	24%	0.24	C	C	.	.			trans	-71.9	118.2	179.9	176.4	-97.6	0	0	0	111.6	N81 C84 P85 Y86 W89 N100 S105	N81-Y98 PolarHBondContact ND2-O 3.14Å; C84-Y98 HydrophobicContact CB-CD1 3.84Å; C84-Y98 HydrophobicContact CB-CD2 4.3Å; C84-Y98 HydrophobicContact CB-CE1 4.49Å; C84-Y98 HydrophobicContact CB-CG 3.73Å; C84-Y98 VanDerWaalsContact SG-CD2 3.53Å; C84-Y98 VanDerWaalsContact SG-CG 3.57Å; P85-Y98 VanDerWaalsContact CD-CZ 3.46Å; Y86-Y98 HydrophobicContact CD2-CD2 4.44Å; Y86-Y98 AromaticContact CD2-CE2 3.91Å; Y86-Y98 HydrophobicContact CD2-CE2 3.91Å; Y86-Y98 AromaticContact CE2-CE2 3.83Å; Y86-Y98 HydrophobicContact CE2-CE2 3.83Å; W89-Y98 AromaticContact CD2-CD2 3.87Å; W89-Y98 HydrophobicContact CD2-CD2 3.87Å; W89-Y98 AromaticContact CE2-CD2 3.96Å; W89-Y98 AromaticContact CE3-CD2 3.67Å; W89-Y98 HydrophobicContact CE3-CD2 3.67Å; W89-Y98 HydrophobicContact CE3-CE2 4.24Å; W89-Y98 AromaticContact CH2-CD2 3.7Å; W89-Y98 HydrophobicContact CH2-CD2 3.7Å; W89-Y98 HydrophobicContact CH2-CE2 4.2Å; W89-Y98 AromaticContact CZ2-CD2 3.88Å; W89-Y98 HydrophobicContact CZ2-CD2 3.88Å; W89-Y98 AromaticContact CZ3-CD2 3.6Å; W89-Y98 HydrophobicContact CZ3-CD2 3.6Å; W89-Y98 AromaticContact CZ3-CE2 3.91Å; W89-Y98 HydrophobicContact CZ3-CE2 3.91Å; Y98-N100 HydrophobicContact CE1-CB 4.37Å; Y98-N100 PolarHBondContact OH-OD1 3.18Å; Y98-S105 VanDerWaalsContact CE2-OG 3.28Å; Y98-S105 WeakPolarHBondContact CE2-OG 3.5Å; Y98-S105 PolarHBondContact OH-OG 2.92Å
99	E	86.1	Confident	87.1	Confident	113 Å²	113	49.5 Å²	49.5	53%	0.528	26%	0.264	S	S	.	.			trans	-124.7	126.8	173.8	-69.6	178.7	-174.1	0	0	110.5	L97 S101 S102 S105	L97-E99 PolarHBondContact O-N 2.98Å; E99-S101 PolarHBondContact O-N 2.76Å; E99-S102 WeakPolarHBondContact O-CB 3.12Å; E99-S102 PolarHBondContact O-N 3.14Å; E99-S102 VanDerWaalsContact O-N 3.11Å; E99-S102 PolarHBondContact O-OG 3.23Å; E99-S105 WeakPolarHBondContact O-CB 3.48Å
100	N	82.2	Confident	87.2	Confident	130 Å²	130	50.2 Å²	50.2	70%	0.695	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22	-173.8	-154.5	51.3	0	0	0	113.5	Y98	Y98-N100 HydrophobicContact CE1-CB 4.37Å; Y98-N100 PolarHBondContact OH-OD1 3.18Å
101	S	82.9	Confident	87.4	Confident	113 Å²	113	49 Å²	49	79%	0.79	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.5	175.7	42.9	0	0	0	0	114	E99	E99-S101 PolarHBondContact O-N 2.76Å
102	S	87.1	Confident	87.7	Confident	27 Å²	27	45.8 Å²	45.8	19%	0.189	25%	0.245	C	C	.	.	S	Bend	trans	-71.7	145.6	-175.5	68.6	0	0	0	0	112.5	E99 V104 S105 A106	E99-S102 WeakPolarHBondContact O-CB 3.12Å; E99-S102 PolarHBondContact O-N 3.14Å; E99-S102 VanDerWaalsContact O-N 3.11Å; E99-S102 PolarHBondContact O-OG 3.23Å; S102-V104 PolarHBondContact O-N 2.84Å; S102-S105 PolarHBondContact O-N 3.1Å; S102-S105 VanDerWaalsContact O-N 3.11Å; S102-S105 WeakPolarHBondContact OG-CB 3.14Å; S102-S105 PolarHBondContact OG-N 2.93Å; S102-S105 VanDerWaalsContact OG-N 3.14Å; S102-A106 PolarHBondContact O-N 3.34Å; S102-A106 VanDerWaalsContact O-N 3.12Å
103	K	84.9	Confident	87.8	Confident	86 Å²	86	48.8 Å²	48.8	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-52.6	-37.9	170.5	-68.6	-171.3	-178.3	-174.8	0	111.7	A106 Y107 Y191	K103-A106 PolarHBondContact O-N 2.92Å; K103-Y107 HydrophobicContact CB-CE1 4.36Å; K103-Y107 WeakPolarHBondContact O-CB 3.49Å; K103-Y107 WeakPolarHBondContact O-CD1 3.28Å; K103-Y107 PolarHBondContact O-N 3.44Å; K103-Y191 HydrophobicContact CD-CE1 4.23Å; K103-Y191 PolarHBondContact NZ-OH 3.31Å
104	V	88	Confident	87.9	Confident	12 Å²	12	48.7 Å²	48.7	7%	0.073	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-42.2	179.8	-172.5	0	0	0	0	111.7	W89 F93 S102 Y107 S108 I194	W89-V104 HydrophobicContact CH2-CB 4.11Å; W89-V104 HydrophobicContact CH2-CG1 3.64Å; W89-V104 HydrophobicContact CZ2-CG1 4.16Å; W89-V104 HydrophobicContact CZ3-CG1 4.41Å; F93-V104 HydrophobicContact CD1-CG1 3.91Å; F93-V104 HydrophobicContact CD2-CG1 3.8Å; F93-V104 HydrophobicContact CE1-CG1 3.69Å; F93-V104 HydrophobicContact CE2-CG1 3.58Å; F93-V104 HydrophobicContact CG-CG1 3.97Å; F93-V104 HydrophobicContact CZ-CG1 3.52Å; S102-V104 PolarHBondContact O-N 2.84Å; V104-Y107 PolarHBondContact O-N 3.02Å; V104-S108 WeakPolarHBondContact O-CB 3.42Å; V104-S108 PolarHBondContact O-N 2.86Å; V104-S108 PolarHBondContact O-OG 3.09Å; V104-I194 HydrophobicContact CG1-CG2 4.25Å; V104-I194 HydrophobicContact CG2-CG2 4.21Å
105	S	88	Confident	88.1	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-44.1	174.9	-177.8	0	0	0	0	111.7	Y98 E99 S102 Y107 S108 K109	Y98-S105 VanDerWaalsContact CE2-OG 3.28Å; Y98-S105 WeakPolarHBondContact CE2-OG 3.5Å; Y98-S105 PolarHBondContact OH-OG 2.92Å; E99-S105 WeakPolarHBondContact O-CB 3.48Å; S102-S105 PolarHBondContact O-N 3.1Å; S102-S105 VanDerWaalsContact O-N 3.11Å; S102-S105 WeakPolarHBondContact OG-CB 3.14Å; S102-S105 PolarHBondContact OG-N 2.93Å; S102-S105 VanDerWaalsContact OG-N 3.14Å; S105-Y107 PolarHBondContact O-N 3.11Å; S105-S108 PolarHBondContact O-N 3.3Å; S105-K109 PolarHBondContact O-N 3.19Å
106	A	89.5	Confident	88.4	Confident	47 Å²	47	46.2 Å²	46.2	39%	0.388	25%	0.245	S	C	.	.	H	α-helix	trans	-58.4	-46.9	175.8	0	0	0	0	0	111.7	S102 K103 K109 I110	S102-A106 PolarHBondContact O-N 3.34Å; S102-A106 VanDerWaalsContact O-N 3.12Å; K103-A106 PolarHBondContact O-N 2.92Å; A106-K109 WeakPolarHBondContact O-CB 3.5Å; A106-K109 PolarHBondContact O-N 2.99Å; A106-I110 WeakPolarHBondContact O-CD1 3.14Å; A106-I110 WeakPolarHBondContact O-CG1 3.26Å; A106-I110 PolarHBondContact O-N 3.3Å
107	Y	91.3	Very high	88.6	Confident	28 Å²	28	45.9 Å²	45.9	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-44.8	178.7	-68	7.5	0	0	0	111.3	K103 V104 S105 K109 I110 T111 L172 Y191 I194 I195	K103-Y107 HydrophobicContact CB-CE1 4.36Å; K103-Y107 WeakPolarHBondContact O-CB 3.49Å; K103-Y107 WeakPolarHBondContact O-CD1 3.28Å; K103-Y107 PolarHBondContact O-N 3.44Å; V104-Y107 PolarHBondContact O-N 3.02Å; S105-Y107 PolarHBondContact O-N 3.11Å; Y107-K109 PolarHBondContact O-N 2.84Å; Y107-I110 PolarHBondContact O-N 3.23Å; Y107-I110 VanDerWaalsContact O-N 3.11Å; Y107-T111 PolarHBondContact O-N 2.96Å; Y107-T111 PolarHBondContact O-OG1 3.17Å; Y107-L172 HydrophobicContact CD1-CD2 3.34Å; Y107-L172 HydrophobicContact CD2-CD2 3.76Å; Y107-L172 HydrophobicContact CE1-CD2 3.62Å; Y107-L172 HydrophobicContact CE2-CD2 4.02Å; Y107-L172 HydrophobicContact CG-CD2 3.42Å; Y107-L172 VanDerWaalsContact CG-CD2 3.42Å; Y107-Y191 HydrophobicContact CE2-CD1 4.02Å; Y107-I194 HydrophobicContact CD2-CG2 3.92Å; Y107-I195 HydrophobicContact CD2-CG1 4.09Å; Y107-I195 HydrophobicContact CE2-CG1 4.4Å
108	S	92.5	Very high	88.6	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-27.5	176.9	-55.9	0	0	0	0	113.3	V104 S105 T111 L112	V104-S108 WeakPolarHBondContact O-CB 3.42Å; V104-S108 PolarHBondContact O-N 2.86Å; V104-S108 PolarHBondContact O-OG 3.09Å; S105-S108 PolarHBondContact O-N 3.3Å; S108-T111 PolarHBondContact O-OG1 3.32Å; S108-L112 VanDerWaalsContact O-CB 3.31Å; S108-L112 WeakPolarHBondContact O-CB 3.33Å; S108-L112 PolarHBondContact O-N 2.95Å
109	K	92.8	Very high	88.4	Confident	118 Å²	118	41.8 Å²	41.8	51%	0.513	23%	0.228	S	C	.	.	H	α-helix	trans	-73.7	-47.6	170.9	-170.9	179.2	174.7	-179.7	0	111	Y86 S105 A106 Y107 T111 L112 D113	Y86-K109 VanDerWaalsContact OH-CA 3.26Å; Y86-K109 WeakPolarHBondContact OH-CA 3.22Å; Y86-K109 WeakPolarHBondContact OH-CB 3.37Å; Y86-K109 PolarHBondContact OH-N 3.44Å; Y86-K109 VanDerWaalsContact OH-N 3.16Å; S105-K109 PolarHBondContact O-N 3.19Å; A106-K109 WeakPolarHBondContact O-CB 3.5Å; A106-K109 PolarHBondContact O-N 2.99Å; Y107-K109 PolarHBondContact O-N 2.84Å; K109-T111 PolarHBondContact O-N 3.16Å; K109-L112 PolarHBondContact O-N 3Å; K109-L112 VanDerWaalsContact O-N 3.17Å; K109-D113 VanDerWaalsContact O-CG 3.26Å; K109-D113 PolarHBondContact O-N 3.19Å
110	I	92.4	Very high	88.1	Confident	19 Å²	19	42 Å²	42	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-40.7	-176.9	-64.4	157.7	0	0	0	111.1	A106 Y107 F114 L167 L168 K171 L172	A106-I110 WeakPolarHBondContact O-CD1 3.14Å; A106-I110 WeakPolarHBondContact O-CG1 3.26Å; A106-I110 PolarHBondContact O-N 3.3Å; Y107-I110 PolarHBondContact O-N 3.23Å; Y107-I110 VanDerWaalsContact O-N 3.11Å; I110-F114 WeakPolarHBondContact O-CB 3.36Å; I110-F114 PolarHBondContact O-N 3.49Å; I110-L167 HydrophobicContact CG2-CD2 3.66Å; I110-L167 WeakPolarHBondContact O-CD2 3.48Å; I110-L168 HydrophobicContact CG2-CD2 3.95Å; I110-K171 HydrophobicContact CD1-CB 3.75Å; I110-K171 HydrophobicContact CD1-CD 4.33Å; I110-K171 HydrophobicContact CG1-CB 4.3Å; I110-K171 HydrophobicContact CG1-CD 4.15Å; I110-K171 HydrophobicContact CG2-CB 4.3Å; I110-L172 HydrophobicContact CB-CD1 4.08Å; I110-L172 HydrophobicContact CB-CG 4.49Å; I110-L172 HydrophobicContact CD1-CG 4.31Å; I110-L172 HydrophobicContact CG2-CD1 3.52Å; I110-L172 HydrophobicContact CG2-CG 4Å
111	T	91.8	Very high	87.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.4	-34.4	174.5	53.3	0	0	0	0	112.8	Y107 S108 K109 L115 L172 A198 F199	Y107-T111 PolarHBondContact O-N 2.96Å; Y107-T111 PolarHBondContact O-OG1 3.17Å; S108-T111 PolarHBondContact O-OG1 3.32Å; K109-T111 PolarHBondContact O-N 3.16Å; T111-L115 WeakPolarHBondContact O-CB 3.4Å; T111-L115 WeakPolarHBondContact O-CG 3.43Å; T111-L115 PolarHBondContact O-N 3.19Å; T111-L172 HydrophobicContact CG2-CD1 4.45Å; T111-A198 HydrophobicContact CG2-CB 3.96Å; T111-A198 PolarHBondContact OG1-O 3.2Å; T111-F199 HydrophobicContact CG2-CD1 3.94Å; T111-F199 HydrophobicContact CG2-CD2 4.26Å; T111-F199 HydrophobicContact CG2-CE1 3.98Å; T111-F199 HydrophobicContact CG2-CE2 4.3Å; T111-F199 HydrophobicContact CG2-CG 4.08Å; T111-F199 HydrophobicContact CG2-CZ 4.17Å
112	L	92.6	Very high	87.2	Confident	6 Å²	6	36.1 Å²	36.1	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-70.9	-44.7	175.8	179.2	61.1	0	0	0	112.4	Y86 S108 K109 F114 L115 T116 A202 T205 L206	Y86-L112 HydrophobicContact CD1-CD2 4.45Å; Y86-L112 HydrophobicContact CE1-CD2 3.89Å; S108-L112 VanDerWaalsContact O-CB 3.31Å; S108-L112 WeakPolarHBondContact O-CB 3.33Å; S108-L112 PolarHBondContact O-N 2.95Å; K109-L112 PolarHBondContact O-N 3Å; K109-L112 VanDerWaalsContact O-N 3.17Å; L112-F114 VanDerWaalsContact C-N 3.31Å; L112-F114 PolarHBondContact O-N 2.86Å; L112-L115 PolarHBondContact O-N 2.98Å; L112-T116 WeakPolarHBondContact O-CB 3.24Å; L112-T116 PolarHBondContact O-N 3.44Å; L112-T116 PolarHBondContact O-OG1 2.72Å; L112-A202 HydrophobicContact CB-CB 3.86Å; L112-A202 HydrophobicContact CD1-CB 4.18Å; L112-T205 HydrophobicContact CD1-CG2 4.33Å; L112-T205 HydrophobicContact CD2-CG2 3.82Å; L112-L206 HydrophobicContact CD1-CD1 4.34Å; L112-L206 HydrophobicContact CD1-CD2 3.85Å; L112-L206 HydrophobicContact CD1-CG 3.68Å
113	D	91.5	Very high	85.9	Confident	65 Å²	65	37.1 Å²	37.1	35%	0.348	20%	0.199	S	C	.	.	H	α-helix	trans	-59	-44.8	175.1	-67	-15.3	0	0	0	109.7	K109 T116 D117	K109-D113 VanDerWaalsContact O-CG 3.26Å; K109-D113 PolarHBondContact O-N 3.19Å; D113-T116 PolarHBondContact O-N 3.44Å; D113-D117 PolarHBondContact O-N 3.36Å
114	F	92.3	Very high	84.9	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.022	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-50.7	174.6	167.9	-108.1	0	0	0	114	I110 L112 T116 D117 L118 S161 I162 S165 L167 L168 F199	I110-F114 WeakPolarHBondContact O-CB 3.36Å; I110-F114 PolarHBondContact O-N 3.49Å; L112-F114 VanDerWaalsContact C-N 3.31Å; L112-F114 PolarHBondContact O-N 2.86Å; F114-T116 PolarHBondContact O-N 2.89Å; F114-D117 PolarHBondContact O-N 2.94Å; F114-L118 HydrophobicContact CE1-CD1 3.97Å; F114-L118 HydrophobicContact CE2-CD1 4.16Å; F114-L118 HydrophobicContact CZ-CD1 3.57Å; F114-L118 PolarHBondContact O-N 3.25Å; F114-S161 WeakPolarHBondContact CE2-O 3.18Å; F114-S161 WeakPolarHBondContact CZ-O 3.48Å; F114-I162 HydrophobicContact CE1-CG1 4.41Å; F114-I162 HydrophobicContact CZ-CG1 4.34Å; F114-S165 VanDerWaalsContact CD2-OG 3.26Å; F114-S165 WeakPolarHBondContact CD2-OG 3.24Å; F114-S165 WeakPolarHBondContact CE2-OG 3.27Å; F114-L167 HydrophobicContact CB-CD2 3.95Å; F114-L168 HydrophobicContact CB-CD2 3.98Å; F114-L168 HydrophobicContact CB-CG 4.38Å; F114-L168 HydrophobicContact CD1-CD1 3.87Å; F114-L168 HydrophobicContact CD1-CD2 4.45Å; F114-L168 HydrophobicContact CD2-CD1 3.87Å; F114-L168 HydrophobicContact CD2-CG 4.09Å; F114-L168 HydrophobicContact CE1-CD1 3.85Å; F114-L168 HydrophobicContact CE2-CD1 3.84Å; F114-L168 HydrophobicContact CE2-CG 4.48Å; F114-L168 HydrophobicContact CG-CD1 3.84Å; F114-L168 HydrophobicContact CG-CD2 4.09Å; F114-L168 HydrophobicContact CG-CG 4.07Å; F114-L168 HydrophobicContact CZ-CD1 3.79Å; F114-F199 AromaticContact CD1-CE1 3.72Å; F114-F199 HydrophobicContact CD1-CE1 3.72Å; F114-F199 AromaticContact CE1-CE1 3.76Å; F114-F199 HydrophobicContact CE1-CE1 3.76Å; F114-F199 HydrophobicContact CE1-CZ 4.45Å
115	L	89.7	Confident	83.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-29.8	-178.7	-81.7	167	0	0	0	112	T111 L112 V119 I157 F199 A202 L203 L206 L461	T111-L115 WeakPolarHBondContact O-CB 3.4Å; T111-L115 WeakPolarHBondContact O-CG 3.43Å; T111-L115 PolarHBondContact O-N 3.19Å; L112-L115 PolarHBondContact O-N 2.98Å; L115-V119 WeakPolarHBondContact O-CB 3.44Å; L115-V119 VanDerWaalsContact O-CG2 3.23Å; L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 3.45Å; L115-I157 HydrophobicContact CD2-CD1 4.09Å; L115-F199 HydrophobicContact CD1-CD1 4.03Å; L115-F199 HydrophobicContact CG-CD1 4.37Å; L115-A202 HydrophobicContact CD1-CB 3.66Å; L115-L203 HydrophobicContact CD1-CD2 3.98Å; L115-L203 HydrophobicContact CD1-CG 3.9Å; L115-L203 HydrophobicContact CD2-CD2 4.17Å; L115-L206 HydrophobicContact CB-CD1 3.86Å; L115-L461 HydrophobicContact CD2-CD1 3.68Å
116	T	88.1	Confident	81.9	Confident	37 Å²	37	39.6 Å²	39.6	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-45.9	173.6	-50.7	0	0	0	0	111.3	L112 D113 F114 Q120 L126	L112-T116 WeakPolarHBondContact O-CB 3.24Å; L112-T116 PolarHBondContact O-N 3.44Å; L112-T116 PolarHBondContact O-OG1 2.72Å; D113-T116 PolarHBondContact O-N 3.44Å; F114-T116 PolarHBondContact O-N 2.89Å; T116-Q120 WeakPolarHBondContact O-CG 3.5Å; T116-Q120 PolarHBondContact O-N 3.27Å; T116-L126 HydrophobicContact CG2-CD1 3.86Å
117	D	86.8	Confident	79.9	Confident	60 Å²	60	45.2 Å²	45.2	32%	0.321	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-43.4	175.3	172.6	63	0	0	0	112.2	D113 F114 Q120 K121	D113-D117 PolarHBondContact O-N 3.36Å; F114-D117 PolarHBondContact O-N 2.94Å; D117-Q120 PolarHBondContact O-N 3.31Å; D117-K121 VanDerWaalsContact CG-NZ 3.29Å; D117-K121 WeakPolarHBondContact O-CB 3.21Å; D117-K121 WeakPolarHBondContact O-CG 3.44Å; D117-K121 PolarHBondContact O-N 3.37Å; D117-K121 WeakPolarHBondContact OD1-CE 3.35Å; D117-K121 IonicContact OD1-NZ 2.72Å; D117-K121 PolarHBondContact OD1-NZ 3.44Å; D117-K121 VanDerWaalsContact OD1-NZ 3.08Å; D117-K121 WeakPolarHBondContact OD2-CE 3.25Å; D117-K121 IonicContact OD2-NZ 2.69Å; D117-K121 PolarHBondContact OD2-NZ 3.47Å
118	L	85.2	Confident	77.5	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-43.6	179.1	-159.6	173.9	0	0	0	111.7	F114 Q120 K121 S122 L461	F114-L118 HydrophobicContact CE1-CD1 3.97Å; F114-L118 HydrophobicContact CE2-CD1 4.16Å; F114-L118 HydrophobicContact CZ-CD1 3.57Å; F114-L118 PolarHBondContact O-N 3.25Å; L118-Q120 VanDerWaalsContact C-N 3.26Å; L118-Q120 PolarHBondContact O-N 3.28Å; L118-K121 PolarHBondContact O-N 2.95Å; L118-S122 WeakPolarHBondContact O-CB 3.48Å; L118-S122 PolarHBondContact O-N 3.39Å; L118-S122 PolarHBondContact O-OG 3.05Å; L118-L461 HydrophobicContact CD1-CB 4.35Å; L118-L461 HydrophobicContact CD2-CB 3.73Å; L118-L461 HydrophobicContact CD2-CD2 4.2Å; L118-L461 HydrophobicContact CD2-CG 4.48Å
119	V	81.7	Confident	75	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-38.3	175.4	168.9	0	0	0	0	111.4	L115 S122 Y124 L126 L144 L461	L115-V119 WeakPolarHBondContact O-CB 3.44Å; L115-V119 VanDerWaalsContact O-CG2 3.23Å; L115-V119 WeakPolarHBondContact O-CG2 3.46Å; L115-V119 PolarHBondContact O-N 3.45Å; V119-S122 WeakPolarHBondContact CA-OG 3.39Å; V119-S122 PolarHBondContact O-OG 3.4Å; V119-S122 VanDerWaalsContact O-OG 3.05Å; V119-Y124 PolarHBondContact O-N 2.95Å; V119-L126 HydrophobicContact CG1-CD1 4.31Å; V119-L126 HydrophobicContact CG1-CD2 3.86Å; V119-L126 HydrophobicContact CG1-CG 3.8Å; V119-L144 HydrophobicContact CG1-CD1 3.76Å; V119-L144 HydrophobicContact CG2-CD1 4.44Å; V119-L461 HydrophobicContact CG2-CD1 4.31Å; V119-L461 HydrophobicContact CG2-CD2 3.9Å
120	Q	78.9	Confident	72.5	Confident	117 Å²	117	45.4 Å²	45.4	55%	0.547	25%	0.25	S	S	.	.	H	α-helix	trans	-67.2	-46.5	173.9	-68.9	173	7.3	0	0	112.1	T116 D117 L118 S122 G123 L126	T116-Q120 WeakPolarHBondContact O-CG 3.5Å; T116-Q120 PolarHBondContact O-N 3.27Å; D117-Q120 PolarHBondContact O-N 3.31Å; L118-Q120 VanDerWaalsContact C-N 3.26Å; L118-Q120 PolarHBondContact O-N 3.28Å; Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3.26Å; Q120-G123 PolarHBondContact O-N 2.87Å; Q120-L126 HydrophobicContact CG-CD1 3.77Å
121	K	77	Confident	69.9	Low	103 Å²	103	53.2 Å²	53.2	45%	0.448	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-27.1	179.6	-76.6	172	174.7	166	0	114.9	D117 L118 G123	D117-K121 VanDerWaalsContact CG-NZ 3.29Å; D117-K121 WeakPolarHBondContact O-CB 3.21Å; D117-K121 WeakPolarHBondContact O-CG 3.44Å; D117-K121 PolarHBondContact O-N 3.37Å; D117-K121 WeakPolarHBondContact OD1-CE 3.35Å; D117-K121 IonicContact OD1-NZ 2.72Å; D117-K121 PolarHBondContact OD1-NZ 3.44Å; D117-K121 VanDerWaalsContact OD1-NZ 3.08Å; D117-K121 WeakPolarHBondContact OD2-CE 3.25Å; D117-K121 IonicContact OD2-NZ 2.69Å; D117-K121 PolarHBondContact OD2-NZ 3.47Å; L118-K121 PolarHBondContact O-N 2.95Å; K121-G123 PolarHBondContact O-N 3.31Å
122	S	68.5	Low	67.2	Low	17 Å²	17	57.7 Å²	57.7	12%	0.119	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	0.5	173	45	0	0	0	0	113.1	L118 V119 Q120	L118-S122 WeakPolarHBondContact O-CB 3.48Å; L118-S122 PolarHBondContact O-N 3.39Å; L118-S122 PolarHBondContact O-OG 3.05Å; V119-S122 WeakPolarHBondContact CA-OG 3.39Å; V119-S122 PolarHBondContact O-OG 3.4Å; V119-S122 VanDerWaalsContact O-OG 3.05Å; Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3.26Å
123	G	61.3	Low	64.5	Low	47 Å²	47	63.3 Å²	63.3	49%	0.485	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	11.2	171.3	0	0	0	0	0	114.8	Q120 K121	Q120-G123 PolarHBondContact O-N 2.87Å; K121-G123 PolarHBondContact O-N 3.31Å
124	Y	63.6	Low	61.5	Low	53 Å²	53	66.2 Å²	66.2	21%	0.208	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.7	179.5	-68.3	-84.3	0	0	0	112	V119 N142 L144 L459	V119-Y124 PolarHBondContact O-N 2.95Å; Y124-N142 WeakPolarHBondContact CA-O 3.15Å; Y124-N142 HydrophobicContact CD1-CB 3.84Å; Y124-N142 WeakPolarHBondContact CD1-O 3.45Å; Y124-N142 HydrophobicContact CE1-CB 3.69Å; Y124-L144 HydrophobicContact CD1-CB 4.09Å; Y124-L144 HydrophobicContact CD1-CD1 4.3Å; Y124-L144 HydrophobicContact CD1-CG 3.71Å; Y124-L144 HydrophobicContact CD2-CD1 4.44Å; Y124-L144 HydrophobicContact CE1-CG 4.33Å; Y124-L144 HydrophobicContact CG-CB 4.39Å; Y124-L144 HydrophobicContact CG-CD1 3.93Å; Y124-L144 HydrophobicContact CG-CG 3.87Å; Y124-L459 HydrophobicContact CE1-CD1 4.45Å; Y124-L459 HydrophobicContact CE2-CD1 4.37Å
125	N	56.8	Low	58.4	Low	74 Å²	74	74.8 Å²	74.8	40%	0.396	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.9	175.2	-100.3	-52.9	0	0	0	111.7	L127 S128 N142	N125-L127 VanDerWaalsContact C-N 3.27Å; N125-L127 PolarHBondContact O-N 3.27Å; N125-S128 PolarHBondContact O-OG 2.83Å; N125-N142 PolarHBondContact N-O 3.4Å
126	L	55.4	Low	55.5	Low	30 Å²	30	80 Å²	80	16%	0.157	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.4	176.8	-80	152.6	0	0	0	114.1	T116 V119 Q120 W146 L206 T210	T116-L126 HydrophobicContact CG2-CD1 3.86Å; V119-L126 HydrophobicContact CG1-CD1 4.31Å; V119-L126 HydrophobicContact CG1-CD2 3.86Å; V119-L126 HydrophobicContact CG1-CG 3.8Å; Q120-L126 HydrophobicContact CG-CD1 3.77Å; L126-W146 HydrophobicContact CD2-CZ2 4Å; L126-L206 HydrophobicContact CD2-CD2 4.22Å; L126-T210 HydrophobicContact CD2-CG2 4.18Å; L126-T210 VanDerWaalsContact O-CG2 3.22Å; L126-T210 WeakPolarHBondContact O-CG2 3.34Å
127	L	48.1	Very low	52.6	Low	165 Å²	165	83.4 Å²	83.4	86%	0.864	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	0.8	-166.2	-72.9	165.7	0	0	0	114.9	N125 N129	N125-L127 VanDerWaalsContact C-N 3.27Å; N125-L127 PolarHBondContact O-N 3.27Å; L127-N129 PolarHBondContact O-N 3.31Å
128	S	40.3	Very low	49.8	Very low	39 Å²	39	87.8 Å²	87.8	27%	0.273	47%	0.471	S	S	.	.			trans	-87.4	93.1	-176.8	56.3	0	0	0	0	112.2	N125 T143	N125-S128 PolarHBondContact O-OG 2.83Å; S128-T143 VanDerWaalsContact OG-CB 3.29Å; S128-T143 WeakPolarHBondContact OG-CB 3.31Å; S128-T143 VanDerWaalsContact OG-CG2 3.3Å; S128-T143 WeakPolarHBondContact OG-CG2 3.28Å
129	N	40	Very low	47.2	Very low	33 Å²	33	95.6 Å²	95.6	18%	0.176	51%	0.506	C	S	.	.			trans	-69.4	127.2	170.3	-179.7	-23.2	0	0	0	110	L127 Y131 T132 H214	L127-N129 PolarHBondContact O-N 3.31Å; N129-Y131 PolarHBondContact O-N 2.89Å; N129-Y131 VanDerWaalsContact O-N 3.16Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.26Å; N129-Y131 WeakPolarHBondContact OD1-CD2 3.43Å; N129-Y131 PolarHBondContact OD1-N 3.12Å; N129-T132 HydrophobicContact CB-CG2 4.44Å; N129-T132 PolarHBondContact O-N 3.01Å; N129-T132 PolarHBondContact O-OG1 3.17Å; N129-T132 VanDerWaalsContact O-OG1 3.09Å; N129-H214 PolarHBondContact ND2-CD2 2.82Å; N129-H214 PolarHBondContact ND2-NE2 3.21Å
130	P	40.4	Very low	45	Very low	79 Å²	79	102.9 Å²	102.9	51%	0.513	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-63.1	-20.8	-178	25.1	-34.5	0	0	0	113.9
131	Y	37.4	Very low	43.1	Very low	183 Å²	183	98.9 Å²	98.9	72%	0.718	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-86.3	-8	-178.9	-62.4	-73.8	0	0	0	114.4	N129 I147	N129-Y131 PolarHBondContact O-N 2.89Å; N129-Y131 VanDerWaalsContact O-N 3.16Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.26Å; N129-Y131 WeakPolarHBondContact OD1-CD2 3.43Å; N129-Y131 PolarHBondContact OD1-N 3.12Å; Y131-I147 HydrophobicContact CE2-CD1 4.25Å
132	T	36.8	Very low	42	Very low	93 Å²	93	99.5 Å²	99.5	57%	0.571	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-103.3	13.5	-178.6	54.6	0	0	0	0	114.3	N129 N134	N129-T132 HydrophobicContact CB-CG2 4.44Å; N129-T132 PolarHBondContact O-N 3.01Å; N129-T132 PolarHBondContact O-OG1 3.17Å; N129-T132 VanDerWaalsContact O-OG1 3.09Å; T132-N134 PolarHBondContact O-N 2.69Å
133	I	35.6	Very low	41.3	Very low	125 Å²	125	102.6 Å²	102.6	64%	0.641	57%	0.567	S	S	*	*			trans	-82.1	69.8	176.3	-48	-178	0	0	0	110.5
134	N	28.1	Very low	41.6	Very low	125 Å²	125	100.9 Å²	100.9	67%	0.668	55%	0.546	S	S	*	.	S	Bend	trans	-124.5	116.8	160.8	-71.7	-61.7	0	0	0	107.5	T132	T132-N134 PolarHBondContact O-N 2.69Å
135	H	27.7	Very low	42.1	Very low	185 Å²	185	102.1 Å²	102.1	86%	0.856	56%	0.556	S	S	*	*	S	Bend	trans	58.8	76.3	178.6	-58.3	-91.1	0	0	0	118.1
136	V	27.4	Very low	43.1	Very low	110 Å²	110	99.4 Å²	99.4	67%	0.667	54%	0.541	S	S	*	.				-148.8	112.9	123.1	177.5	0	0	0	0	109	N138 F139	V136-N138 PolarHBondContact O-N 3.34Å; V136-F139 HydrophobicContact CG1-CD2 4.39Å
137	S	27.2	Very low	44	Very low	108 Å²	108	101.4 Å²	101.4	76%	0.755	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	98.2	164	51.6	0	0	0	0	109.5
138	N	29	Very low	45.2	Very low	152 Å²	152	96.4 Å²	96.4	81%	0.813	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	167.2	26	155.9	-86.7	-12.8	0	0	0	114.5	V136 V140	V136-N138 PolarHBondContact O-N 3.34Å; N138-V140 PolarHBondContact O-N 2.96Å
139	F	30.3	Very low	47	Very low	169 Å²	169	94.7 Å²	94.7	74%	0.741	51%	0.51	S	S	*	.			trans	-88.4	103.4	172.3	-93.6	-83.9	0	0	0	112	V136 G141	V136-F139 HydrophobicContact CG1-CD2 4.39Å; F139-G141 PolarHBondContact O-N 3.49Å
140	V	34.8	Very low	48.8	Very low	153 Å²	153	95.5 Å²	95.5	93%	0.927	51%	0.513	S	S	*	.			trans	-92.5	87.4	170.4	-176.1	0	0	0	0	108.7	N138	N138-V140 PolarHBondContact O-N 2.96Å
141	G	39.4	Very low	50.6	Low	34 Å²	34	97.3 Å²	97.3	35%	0.351	52%	0.522	S	S	.	.	S	Bend	trans	-174.3	137.4	175.9	0	0	0	0	0	111	F139 T143	F139-G141 PolarHBondContact O-N 3.49Å; G141-T143 PolarHBondContact O-N 3.12Å
142	N	53.1	Low	52.4	Low	115 Å²	115	91.3 Å²	91.3	62%	0.615	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.6	-178.7	-74.5	-19.9	0	0	0	110.1	Y124 N125	Y124-N142 WeakPolarHBondContact CA-O 3.15Å; Y124-N142 HydrophobicContact CD1-CB 3.84Å; Y124-N142 WeakPolarHBondContact CD1-O 3.45Å; Y124-N142 HydrophobicContact CE1-CB 3.69Å; N125-N142 PolarHBondContact N-O 3.4Å
143	T	54.5	Low	54.7	Low	82 Å²	82	87.7 Å²	87.7	50%	0.503	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	132.1	177.4	55.1	0	0	0	0	110	S128 G141 D145	S128-T143 VanDerWaalsContact OG-CB 3.29Å; S128-T143 WeakPolarHBondContact OG-CB 3.31Å; S128-T143 VanDerWaalsContact OG-CG2 3.3Å; S128-T143 WeakPolarHBondContact OG-CG2 3.28Å; G141-T143 PolarHBondContact O-N 3.12Å; T143-D145 PolarHBondContact O-N 3.03Å
144	L	67.1	Low	57.2	Low	11 Å²	11	82 Å²	82	6%	0.058	45%	0.453	C	S	.	.			trans	-85.5	114.4	-175.5	-132.6	175.6	0	0	0	111	V119 Y124 W146 I149 L459	V119-L144 HydrophobicContact CG1-CD1 3.76Å; V119-L144 HydrophobicContact CG2-CD1 4.44Å; Y124-L144 HydrophobicContact CD1-CB 4.09Å; Y124-L144 HydrophobicContact CD1-CD1 4.3Å; Y124-L144 HydrophobicContact CD1-CG 3.71Å; Y124-L144 HydrophobicContact CD2-CD1 4.44Å; Y124-L144 HydrophobicContact CE1-CG 4.33Å; Y124-L144 HydrophobicContact CG-CB 4.39Å; Y124-L144 HydrophobicContact CG-CD1 3.93Å; Y124-L144 HydrophobicContact CG-CG 3.87Å; L144-W146 HydrophobicContact CD1-CH2 4.34Å; L144-W146 HydrophobicContact CD1-CZ2 3.87Å; L144-W146 PolarHBondContact O-N 3.37Å; L144-W146 VanDerWaalsContact O-N 3.15Å; L144-I149 HydrophobicContact CD2-CD1 3.43Å; L144-I149 VanDerWaalsContact CD2-CD1 3.43Å; L144-L459 HydrophobicContact CD1-CD2 4.25Å; L144-L459 HydrophobicContact CD2-CD1 3.96Å; L144-L459 HydrophobicContact CD2-CD2 3.97Å; L144-L459 HydrophobicContact CG-CD1 4.48Å
145	D	73.8	Confident	60	Low	79 Å²	79	76 Å²	76	42%	0.422	42%	0.422	S	S	.	.			trans	-81	91.4	179.7	-175.1	-7.3	0	0	0	111.3	T143 I147 K148 I149	T143-D145 PolarHBondContact O-N 3.03Å; D145-I147 PolarHBondContact OD1-N 3.4Å; D145-K148 HydrophobicContact CB-CB 4.03Å; D145-K148 HydrophobicContact CB-CD 4.33Å; D145-K148 PolarHBondContact O-N 2.84Å; D145-K148 WeakPolarHBondContact OD1-CB 3.45Å; D145-K148 PolarHBondContact OD1-N 3.42Å; D145-K148 VanDerWaalsContact OD2-CB 3.3Å; D145-K148 WeakPolarHBondContact OD2-CB 3.41Å; D145-I149 PolarHBondContact O-N 3.33Å
146	W	77.8	Confident	62.9	Low	17 Å²	17	68.3 Å²	68.3	6%	0.064	39%	0.387	C	S	.	.	H	α-helix	trans	-69.7	-29.6	-180	-66.7	99.4	0	0	0	113.7	L126 L144 K148 I149 E150 L206 C207 T210 A211	L126-W146 HydrophobicContact CD2-CZ2 4Å; L144-W146 HydrophobicContact CD1-CH2 4.34Å; L144-W146 HydrophobicContact CD1-CZ2 3.87Å; L144-W146 PolarHBondContact O-N 3.37Å; L144-W146 VanDerWaalsContact O-N 3.15Å; W146-K148 VanDerWaalsContact C-N 3.3Å; W146-K148 PolarHBondContact O-N 3.49Å; W146-I149 HydrophobicContact CE3-CD1 4.04Å; W146-I149 HydrophobicContact CZ3-CD1 4.23Å; W146-I149 PolarHBondContact O-N 2.96Å; W146-E150 PolarHBondContact O-N 3.06Å; W146-L206 HydrophobicContact CH2-CB 3.79Å; W146-L206 HydrophobicContact CH2-CD1 4.38Å; W146-L206 HydrophobicContact CZ2-CB 4.46Å; W146-L206 HydrophobicContact CZ3-CB 4.06Å; W146-C207 HydrophobicContact CE3-CB 3.71Å; W146-C207 HydrophobicContact CZ3-CB 4.24Å; W146-T210 HydrophobicContact CZ2-CG2 4.37Å; W146-T210 PolarHBondContact NE1-OG1 3.36Å; W146-A211 HydrophobicContact CB-CB 4.2Å
147	I	74.5	Confident	65.8	Low	72 Å²	72	63.1 Å²	63.1	37%	0.369	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-42.1	177.5	-60.3	173.6	0	0	0	109.1	Y131 D145 E150 T151	Y131-I147 HydrophobicContact CE2-CD1 4.25Å; D145-I147 PolarHBondContact OD1-N 3.4Å; I147-E150 WeakPolarHBondContact O-CB 3.44Å; I147-E150 PolarHBondContact O-N 3.08Å; I147-T151 PolarHBondContact O-N 2.78Å
148	K	73.9	Confident	68.6	Low	60 Å²	60	58.8 Å²	58.8	26%	0.261	32%	0.323	S	S	.	.	H	α-helix	trans	-65.5	-37.4	175.6	-177.9	-178.8	177.4	-170.6	0	113.3	D145 W146 E150 T151 Q152	D145-K148 HydrophobicContact CB-CB 4.03Å; D145-K148 HydrophobicContact CB-CD 4.33Å; D145-K148 PolarHBondContact O-N 2.84Å; D145-K148 WeakPolarHBondContact OD1-CB 3.45Å; D145-K148 PolarHBondContact OD1-N 3.42Å; D145-K148 VanDerWaalsContact OD2-CB 3.3Å; D145-K148 WeakPolarHBondContact OD2-CB 3.41Å; W146-K148 VanDerWaalsContact C-N 3.3Å; W146-K148 PolarHBondContact O-N 3.49Å; K148-E150 VanDerWaalsContact C-N 3.33Å; K148-T151 WeakPolarHBondContact CA-OG1 3.39Å; K148-T151 PolarHBondContact O-N 3.45Å; K148-T151 PolarHBondContact O-OG1 3.13Å; K148-Q152 WeakPolarHBondContact O-CB 3.47Å; K148-Q152 WeakPolarHBondContact O-CG 3.26Å; K148-Q152 PolarHBondContact O-N 3.26Å
149	I	77.7	Confident	71.3	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-40.8	171.7	-71	172.1	0	0	0	111	L144 D145 W146 Q152 G153 V155 I238 L459	L144-I149 HydrophobicContact CD2-CD1 3.43Å; L144-I149 VanDerWaalsContact CD2-CD1 3.43Å; D145-I149 PolarHBondContact O-N 3.33Å; W146-I149 HydrophobicContact CE3-CD1 4.04Å; W146-I149 HydrophobicContact CZ3-CD1 4.23Å; W146-I149 PolarHBondContact O-N 2.96Å; I149-Q152 PolarHBondContact O-N 3.4Å; I149-G153 PolarHBondContact O-N 2.72Å; I149-V155 HydrophobicContact CD1-CG2 4.46Å; I149-V155 HydrophobicContact CG2-CG2 3.54Å; I149-I238 HydrophobicContact CG2-CD1 4.38Å; I149-I238 HydrophobicContact CG2-CG2 4.31Å; I149-L459 HydrophobicContact CD1-CB 4.44Å; I149-L459 HydrophobicContact CD1-CD2 4.02Å
150	E	77.8	Confident	73.9	Confident	49 Å²	49	46.4 Å²	46.4	23%	0.229	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-42.6	175	-172.3	177.2	151.4	0	0	111.8	W146 I147 K148 Q152 G153 Y212 P235	W146-E150 PolarHBondContact O-N 3.06Å; I147-E150 WeakPolarHBondContact O-CB 3.44Å; I147-E150 PolarHBondContact O-N 3.08Å; K148-E150 VanDerWaalsContact C-N 3.33Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.09Å; E150-G153 PolarHBondContact O-N 3.2Å; E150-Y212 WeakPolarHBondContact OE2-CE2 3.49Å; E150-Y212 PolarHBondContact OE2-OH 3.19Å; E150-P235 VanDerWaalsContact CD-CA 3.47Å; E150-P235 HydrophobicContact CG-CB 4.23Å; E150-P235 WeakPolarHBondContact OE1-CA 3.44Å; E150-P235 WeakPolarHBondContact OE2-CA 3.05Å; E150-P235 VanDerWaalsContact OE2-CB 3.31Å; E150-P235 WeakPolarHBondContact OE2-CB 3.27Å
151	T	77.9	Confident	76.3	Confident	117 Å²	117	39.4 Å²	39.4	72%	0.718	23%	0.225	S	C	*	.	H	α-helix	trans	-68.4	-24.4	175.5	58.1	0	0	0	0	114.1	I147 K148	I147-T151 PolarHBondContact O-N 2.78Å; K148-T151 WeakPolarHBondContact CA-OG1 3.39Å; K148-T151 PolarHBondContact O-N 3.45Å; K148-T151 PolarHBondContact O-OG1 3.13Å
152	Q	76.2	Confident	78.6	Confident	58 Å²	58	37.8 Å²	37.8	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-82.2	-25.4	173.6	-75.6	172.5	-23.3	0	0	112.9	K148 I149 E150 A154 R457 L458	K148-Q152 WeakPolarHBondContact O-CB 3.47Å; K148-Q152 WeakPolarHBondContact O-CG 3.26Å; K148-Q152 PolarHBondContact O-N 3.26Å; I149-Q152 PolarHBondContact O-N 3.4Å; E150-Q152 VanDerWaalsContact C-N 3.28Å; E150-Q152 PolarHBondContact O-N 3.09Å; Q152-A154 PolarHBondContact O-N 3.21Å; Q152-A154 VanDerWaalsContact O-N 3.09Å; Q152-R457 VanDerWaalsContact NE2-C 3.32Å; Q152-R457 PolarHBondContact NE2-O 2.85Å; Q152-R457 PolarHBondContact OE1-O 3.3Å; Q152-L458 HydrophobicContact CB-CD2 4.12Å; Q152-L458 HydrophobicContact CG-CD2 4.45Å
153	G	84.6	Confident	80.1	Confident	17 Å²	17	33.8 Å²	33.8	18%	0.175	19%	0.187	C	C	.	.			trans	66.6	5.8	178.9	0	0	0	0	0	115.4	I149 E150 I238 A239	I149-G153 PolarHBondContact O-N 2.72Å; E150-G153 PolarHBondContact O-N 3.2Å; G153-I238 CarbonylContact O-C 3.55Å; G153-I238 WeakPolarHBondContact O-CA 3.37Å; G153-A239 PolarHBondContact O-N 2.83Å
154	A	87.5	Confident	81.6	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.033	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.3	-176.7	0	0	0	0	0	112.8	Q152 A239 R241 L458	Q152-A154 PolarHBondContact O-N 3.21Å; Q152-A154 VanDerWaalsContact O-N 3.09Å; A154-A239 WeakPolarHBondContact CA-O 3.28Å; A154-A239 HydrophobicContact CB-CB 4.16Å; A154-R241 HydrophobicContact CB-CG 4.17Å; A154-L458 HydrophobicContact CB-CD2 4.22Å; A154-L458 WeakPolarHBondContact O-CD2 3.44Å
155	V	87.8	Confident	82.5	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.7	171.6	-178.9	0	0	0	0	109.2	I149 L203 I238 A239 R241 L459 L461	I149-V155 HydrophobicContact CD1-CG2 4.46Å; I149-V155 HydrophobicContact CG2-CG2 3.54Å; V155-L203 HydrophobicContact CB-CD1 3.77Å; V155-L203 HydrophobicContact CB-CD2 4.31Å; V155-L203 HydrophobicContact CG1-CD1 4.48Å; V155-L203 HydrophobicContact CG1-CD2 4.3Å; V155-L203 HydrophobicContact CG2-CD1 4.05Å; V155-L203 HydrophobicContact CG2-CD2 4.25Å; V155-I238 HydrophobicContact CG2-CG2 4.15Å; V155-A239 PolarHBondContact N-O 2.91Å; V155-R241 PolarHBondContact O-N 2.94Å; V155-L459 HydrophobicContact CG1-CB 4.43Å; V155-L459 HydrophobicContact CG1-CD2 4.22Å; V155-L461 HydrophobicContact CG1-CD1 3.82Å; V155-L461 HydrophobicContact CG1-CG 3.97Å
156	L	87.8	Confident	82.9	Confident	23 Å²	23	40.5 Å²	40.5	12%	0.12	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	130.1	176.6	-51.9	-176.3	0	0	0	109.4	R241 V243 L458 L459 I460 L461	L156-R241 CarbonylContact C-O 3.55Å; L156-R241 WeakPolarHBondContact CA-O 2.98Å; L156-R241 HydrophobicContact CD2-CB 3.7Å; L156-R241 HydrophobicContact CD2-CG 4.32Å; L156-V243 HydrophobicContact CB-CG1 4.16Å; L156-V243 HydrophobicContact CD1-CG1 4.41Å; L156-V243 HydrophobicContact CD2-CG1 4.12Å; L156-V243 HydrophobicContact CG-CG1 4.45Å; L156-L458 HydrophobicContact CD1-CB 4.29Å; L156-L458 HydrophobicContact CG-CB 4.42Å; L156-L459 PolarHBondContact N-O 3.11Å; L156-I460 HydrophobicContact CB-CG1 4.1Å; L156-I460 HydrophobicContact CD1-CG1 3.85Å; L156-I460 HydrophobicContact CG-CG1 4.49Å; L156-L461 PolarHBondContact O-N 2.82Å
157	I	89.2	Confident	83.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125	177	-51.7	171.9	0	0	0	108.2	L115 I162 F199 A240 R241 I242 V243	L115-I157 HydrophobicContact CD2-CD1 4.09Å; I157-I162 HydrophobicContact CB-CD1 4.45Å; I157-I162 HydrophobicContact CG2-CD1 3.81Å; I157-I162 HydrophobicContact CG2-CG1 3.86Å; I157-F199 HydrophobicContact CD1-CB 4.36Å; I157-F199 HydrophobicContact CD1-CD1 4.09Å; I157-F199 HydrophobicContact CD1-CG 4.38Å; I157-A240 HydrophobicContact CD1-CB 3.99Å; I157-R241 PolarHBondContact N-O 3.13Å; I157-I242 WeakPolarHBondContact O-CA 3.42Å; I157-V243 PolarHBondContact O-N 2.87Å
158	D	86	Confident	84	Confident	17 Å²	17	39 Å²	39	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.9	-178	-174.7	48.8	0	0	0	112.3	S160 S161 I162 V243 N244 L461	D158-S160 PolarHBondContact O-N 3.46Å; D158-S160 VanDerWaalsContact OD2-CB 3.26Å; D158-S160 WeakPolarHBondContact OD2-CB 3.39Å; D158-S160 PolarHBondContact OD2-OG 2.69Å; D158-S161 WeakPolarHBondContact O-CB 3.45Å; D158-S161 PolarHBondContact O-N 3.49Å; D158-I162 PolarHBondContact O-N 3.42Å; D158-V243 HydrophobicContact CB-CG2 4.43Å; D158-N244 WeakPolarHBondContact OD1-CB 3.29Å; D158-N244 PolarHBondContact OD1-ND2 2.84Å; D158-L461 PolarHBondContact N-O 3.37Å
159	Y	86.4	Confident	84.5	Confident	16 Å²	16	39.3 Å²	39.3	6%	0.063	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-33.8	-178.9	169.7	-114.6	0	0	0	113.2	S161 I162 I163 F178 V243 N244 H245 S246	Y159-S161 PolarHBondContact O-N 2.97Å; Y159-I162 WeakPolarHBondContact O-CB 3.4Å; Y159-I162 PolarHBondContact O-N 3.4Å; Y159-I162 VanDerWaalsContact O-N 3.11Å; Y159-I163 HydrophobicContact CE1-CD1 4.16Å; Y159-I163 HydrophobicContact CE2-CD1 3.65Å; Y159-I163 HydrophobicContact CE2-CG1 3.9Å; Y159-I163 PolarHBondContact O-N 3.08Å; Y159-I163 WeakPolarHBondContact OH-CD1 3.31Å; Y159-F178 HydrophobicContact CE2-CB 4.28Å; Y159-F178 PolarHBondContact OH-O 2.65Å; Y159-V243 WeakPolarHBondContact CB-O 3.48Å; Y159-V243 PolarHBondContact N-O 3.32Å; Y159-N244 VanDerWaalsContact CD1-O 3.28Å; Y159-N244 WeakPolarHBondContact CD1-O 3.38Å; Y159-H245 AromaticContact CD2-CD2 3.63Å; Y159-H245 AromaticContact CE2-CD2 3.3Å; Y159-H245 WeakPolarHBondContact CE2-CD2 3.37Å; Y159-H245 AromaticContact CE2-NE2 3.71Å; Y159-H245 HydrophobicContact CG-CB 4.4Å; Y159-H245 AromaticContact CZ-CD2 3.59Å; Y159-H245 AromaticContact CZ-NE2 3.73Å; Y159-S246 VanDerWaalsContact CE1-N 3.29Å; Y159-S246 WeakPolarHBondContact CE1-O 3.46Å; Y159-S246 VanDerWaalsContact CZ-O 3.29Å; Y159-S246 PolarHBondContact OH-O 3.04Å
160	S	83.8	Confident	84.7	Confident	46 Å²	46	45.3 Å²	45.3	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-39	176.8	85	0	0	0	0	111.5	D158 I162 H164	D158-S160 PolarHBondContact O-N 3.46Å; D158-S160 VanDerWaalsContact OD2-CB 3.26Å; D158-S160 WeakPolarHBondContact OD2-CB 3.39Å; D158-S160 PolarHBondContact OD2-OG 2.69Å; S160-I162 VanDerWaalsContact C-N 3.33Å; S160-H164 PolarHBondContact O-N 3Å; S160-H164 VanDerWaalsContact O-N 3.09Å; S160-H164 PolarHBondContact O-ND1 2.9Å
161	S	85.8	Confident	85	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-74.3	-26.5	-179.8	-54.2	0	0	0	0	112	F114 D158 Y159 S165 S462 S463	F114-S161 WeakPolarHBondContact CE2-O 3.18Å; F114-S161 WeakPolarHBondContact CZ-O 3.48Å; D158-S161 WeakPolarHBondContact O-CB 3.45Å; D158-S161 PolarHBondContact O-N 3.49Å; Y159-S161 PolarHBondContact O-N 2.97Å; S161-S165 WeakPolarHBondContact O-CB 3.47Å; S161-S462 WeakPolarHBondContact OG-CA 3.47Å; S161-S463 PolarHBondContact OG-N 2.94Å; S161-S463 PolarHBondContact OG-OG 2.86Å; S161-S463 VanDerWaalsContact OG-OG 3.13Å
162	I	87.1	Confident	85.2	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-72.3	-49.1	173.2	-62.7	177.9	0	0	0	110.5	F114 I157 D158 Y159 S160 L168 I174 F199 I242	F114-I162 HydrophobicContact CE1-CG1 4.41Å; F114-I162 HydrophobicContact CZ-CG1 4.34Å; I157-I162 HydrophobicContact CB-CD1 4.45Å; I157-I162 HydrophobicContact CG2-CD1 3.81Å; I157-I162 HydrophobicContact CG2-CG1 3.86Å; D158-I162 PolarHBondContact O-N 3.42Å; Y159-I162 WeakPolarHBondContact O-CB 3.4Å; Y159-I162 PolarHBondContact O-N 3.4Å; Y159-I162 VanDerWaalsContact O-N 3.11Å; S160-I162 VanDerWaalsContact C-N 3.33Å; I162-L168 HydrophobicContact CB-CD1 4.5Å; I162-L168 HydrophobicContact CG2-CD1 4.01Å; I162-I174 HydrophobicContact CG2-CD1 3.41Å; I162-I174 VanDerWaalsContact CG2-CD1 3.41Å; I162-I174 HydrophobicContact CG2-CG1 4.26Å; I162-F199 HydrophobicContact CD1-CZ 4.31Å; I162-F199 HydrophobicContact CG1-CZ 4.44Å; I162-F199 HydrophobicContact CG2-CZ 4.41Å; I162-I242 HydrophobicContact CD1-CD1 3.75Å; I162-I242 HydrophobicContact CD1-CG1 3.86Å; I162-I242 HydrophobicContact CD1-CG2 4.04Å
163	I	85.2	Confident	85.3	Confident	30 Å²	30	46.4 Å²	46.4	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-41.6	-176.2	-97.7	-169.2	0	0	0	113.1	Y159 S165 Q169	Y159-I163 HydrophobicContact CE1-CD1 4.16Å; Y159-I163 HydrophobicContact CE2-CD1 3.65Å; Y159-I163 HydrophobicContact CE2-CG1 3.9Å; Y159-I163 PolarHBondContact O-N 3.08Å; Y159-I163 WeakPolarHBondContact OH-CD1 3.31Å; I163-S165 PolarHBondContact O-N 2.76Å; I163-Q169 PolarHBondContact O-NE2 3.12Å
164	H	85.3	Confident	85.1	Confident	139 Å²	139	45.6 Å²	45.6	64%	0.644	22%	0.223	S	C	*	.	S	Bend	trans	-75.8	-7	-177.6	-63.9	101.9	0	0	0	113.5	S160 K166	S160-H164 PolarHBondContact O-N 3Å; S160-H164 VanDerWaalsContact O-N 3.09Å; S160-H164 PolarHBondContact O-ND1 2.9Å; H164-K166 PolarHBondContact O-N 2.81Å; H164-K166 VanDerWaalsContact O-N 3.1Å
165	S	85.3	Confident	84.7	Confident	16 Å²	16	48.9 Å²	48.9	11%	0.112	24%	0.24	C	C	.	.			trans	-72.7	101.7	177.9	-176.6	0	0	0	0	112.1	F114 S161 I163 L167 L168 Q169	F114-S165 VanDerWaalsContact CD2-OG 3.26Å; F114-S165 WeakPolarHBondContact CD2-OG 3.24Å; F114-S165 WeakPolarHBondContact CE2-OG 3.27Å; S161-S165 WeakPolarHBondContact O-CB 3.47Å; I163-S165 PolarHBondContact O-N 2.76Å; S165-L167 PolarHBondContact O-N 3.35Å; S165-L167 VanDerWaalsContact O-N 3.14Å; S165-L168 WeakPolarHBondContact O-CA 3.3Å; S165-L168 PolarHBondContact O-N 3.36Å; S165-Q169 PolarHBondContact O-N 2.97Å
166	K	84.2	Confident	84.1	Confident	159 Å²	159	53.2 Å²	53.2	69%	0.691	26%	0.259	S	S	*	.	H	α-helix	trans	-49.4	-38.9	172.9	-63.3	-179.3	-178.9	176.4	0	112.5	H164 L168 Q169 D170	H164-K166 PolarHBondContact O-N 2.81Å; H164-K166 VanDerWaalsContact O-N 3.1Å; K166-L168 VanDerWaalsContact C-N 3.28Å; K166-L168 PolarHBondContact O-N 3.1Å; K166-Q169 PolarHBondContact O-N 3.29Å; K166-D170 WeakPolarHBondContact O-CB 3.29Å; K166-D170 VanDerWaalsContact O-CG 3.24Å; K166-D170 PolarHBondContact O-N 2.72Å
167	L	87.1	Confident	83.5	Confident	56 Å²	56	52.7 Å²	52.7	29%	0.293	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-31	178.5	-178	145.6	0	0	0	113.1	I110 F114 S165 K171	I110-L167 HydrophobicContact CG2-CD2 3.66Å; I110-L167 WeakPolarHBondContact O-CD2 3.48Å; F114-L167 HydrophobicContact CB-CD2 3.95Å; S165-L167 PolarHBondContact O-N 3.35Å; S165-L167 VanDerWaalsContact O-N 3.14Å; L167-K171 WeakPolarHBondContact O-CB 3.46Å
168	L	86.5	Confident	82.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-85.5	-35.9	173.3	-58.8	-179.8	0	0	0	112.1	I110 F114 I162 S165 K166 L172 Q173 I174 F199	I110-L168 HydrophobicContact CG2-CD2 3.95Å; F114-L168 HydrophobicContact CB-CD2 3.98Å; F114-L168 HydrophobicContact CB-CG 4.38Å; F114-L168 HydrophobicContact CD1-CD1 3.87Å; F114-L168 HydrophobicContact CD1-CD2 4.45Å; F114-L168 HydrophobicContact CD2-CD1 3.87Å; F114-L168 HydrophobicContact CD2-CG 4.09Å; F114-L168 HydrophobicContact CE1-CD1 3.85Å; F114-L168 HydrophobicContact CE2-CD1 3.84Å; F114-L168 HydrophobicContact CE2-CG 4.48Å; F114-L168 HydrophobicContact CG-CD1 3.84Å; F114-L168 HydrophobicContact CG-CD2 4.09Å; F114-L168 HydrophobicContact CG-CG 4.07Å; F114-L168 HydrophobicContact CZ-CD1 3.79Å; I162-L168 HydrophobicContact CB-CD1 4.5Å; I162-L168 HydrophobicContact CG2-CD1 4.01Å; S165-L168 WeakPolarHBondContact O-CA 3.3Å; S165-L168 PolarHBondContact O-N 3.36Å; K166-L168 VanDerWaalsContact C-N 3.28Å; K166-L168 PolarHBondContact O-N 3.1Å; L168-L172 HydrophobicContact CD2-CD1 3.71Å; L168-L172 CarbonylContact O-C 3.59Å; L168-L172 WeakPolarHBondContact O-CA 3.4Å; L168-L172 VanDerWaalsContact O-CB 3.28Å; L168-L172 WeakPolarHBondContact O-CB 3.34Å; L168-L172 PolarHBondContact O-N 2.84Å; L168-Q173 PolarHBondContact O-N 3.42Å; L168-I174 HydrophobicContact CB-CB 4.32Å; L168-I174 HydrophobicContact CB-CD1 3.97Å; L168-I174 HydrophobicContact CB-CG2 4.05Å; L168-I174 HydrophobicContact CD1-CD1 3.97Å; L168-I174 HydrophobicContact CG-CD1 4.44Å; L168-F199 HydrophobicContact CD1-CZ 4.23Å
169	Q	84.7	Confident	82	Confident	68 Å²	68	52.4 Å²	52.4	32%	0.318	26%	0.256	S	S	.	.	H	α-helix	trans	-60.7	-56.5	173.7	-67.4	-173.3	-6.4	0	0	111.3	I163 S165 K166 K171 Q173 I174	I163-Q169 PolarHBondContact O-NE2 3.12Å; S165-Q169 PolarHBondContact O-N 2.97Å; K166-Q169 PolarHBondContact O-N 3.29Å; Q169-K171 PolarHBondContact O-N 2.9Å; Q169-Q173 VanDerWaalsContact O-CA 3.25Å; Q169-Q173 WeakPolarHBondContact O-CA 3.45Å; Q169-Q173 PolarHBondContact O-N 3.16Å; Q169-I174 HydrophobicContact CG-CG2 4.4Å
170	D	81.4	Confident	80.8	Confident	129 Å²	129	57.1 Å²	57.1	69%	0.69	28%	0.283	S	S	*	.	H	α-helix	trans	-66.6	-40	-172.2	-64.4	-24.6	0	0	0	112.9	K166	K166-D170 WeakPolarHBondContact O-CB 3.29Å; K166-D170 VanDerWaalsContact O-CG 3.24Å; K166-D170 PolarHBondContact O-N 2.72Å
171	K	84.7	Confident	79.6	Confident	123 Å²	123	63.3 Å²	63.3	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-102.1	-25	-170.5	-59.1	-176.4	-179.7	174	0	115	I110 L167 Q169	I110-K171 HydrophobicContact CD1-CB 3.75Å; I110-K171 HydrophobicContact CD1-CD 4.33Å; I110-K171 HydrophobicContact CG1-CB 4.3Å; I110-K171 HydrophobicContact CG1-CD 4.15Å; I110-K171 HydrophobicContact CG2-CB 4.3Å; L167-K171 WeakPolarHBondContact O-CB 3.46Å; Q169-K171 PolarHBondContact O-N 2.9Å
172	L	81.7	Confident	78.4	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-112.2	-7	179.7	-82.6	163.8	0	0	0	113.3	Y107 I110 T111 L168 I174 I195	Y107-L172 HydrophobicContact CD1-CD2 3.34Å; Y107-L172 HydrophobicContact CD2-CD2 3.76Å; Y107-L172 HydrophobicContact CE1-CD2 3.62Å; Y107-L172 HydrophobicContact CE2-CD2 4.02Å; Y107-L172 HydrophobicContact CG-CD2 3.42Å; Y107-L172 VanDerWaalsContact CG-CD2 3.42Å; I110-L172 HydrophobicContact CB-CD1 4.08Å; I110-L172 HydrophobicContact CB-CG 4.49Å; I110-L172 HydrophobicContact CD1-CG 4.31Å; I110-L172 HydrophobicContact CG2-CD1 3.52Å; I110-L172 HydrophobicContact CG2-CG 4Å; T111-L172 HydrophobicContact CG2-CD1 4.45Å; L168-L172 HydrophobicContact CD2-CD1 3.71Å; L168-L172 CarbonylContact O-C 3.59Å; L168-L172 WeakPolarHBondContact O-CA 3.4Å; L168-L172 VanDerWaalsContact O-CB 3.28Å; L168-L172 WeakPolarHBondContact O-CB 3.34Å; L168-L172 PolarHBondContact O-N 2.84Å; L172-I174 PolarHBondContact O-N 3.43Å; L172-I195 HydrophobicContact CD2-CD1 4.34Å; L172-I195 HydrophobicContact CD2-CG1 4.27Å
173	Q	79.6	Confident	77	Confident	120 Å²	120	70.3 Å²	70.3	56%	0.561	34%	0.343	S	S	*	.			trans	52.7	38.3	-174.9	-58.6	-177	-5.8	0	0	111.9	L168 Q169 N175 K176	L168-Q173 PolarHBondContact O-N 3.42Å; Q169-Q173 VanDerWaalsContact O-CA 3.25Å; Q169-Q173 WeakPolarHBondContact O-CA 3.45Å; Q169-Q173 PolarHBondContact O-N 3.16Å; Q173-N175 PolarHBondContact O-N 3.38Å; Q173-K176 VanDerWaalsContact O-CB 3.22Å; Q173-K176 WeakPolarHBondContact O-CB 3.39Å; Q173-K176 PolarHBondContact O-N 3.13Å
174	I	80.5	Confident	75.6	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.3	-160.3	-157.4	155.9	0	0	0	114.1	I162 L168 Q169 L172 K176 Y177 F178	I162-I174 HydrophobicContact CG2-CD1 3.41Å; I162-I174 VanDerWaalsContact CG2-CD1 3.41Å; I162-I174 HydrophobicContact CG2-CG1 4.26Å; L168-I174 HydrophobicContact CB-CB 4.32Å; L168-I174 HydrophobicContact CB-CD1 3.97Å; L168-I174 HydrophobicContact CB-CG2 4.05Å; L168-I174 HydrophobicContact CD1-CD1 3.97Å; L168-I174 HydrophobicContact CG-CD1 4.44Å; Q169-I174 HydrophobicContact CG-CG2 4.4Å; L172-I174 PolarHBondContact O-N 3.43Å; I174-K176 PolarHBondContact O-N 3.36Å; I174-Y177 PolarHBondContact O-N 2.91Å; I174-F178 HydrophobicContact CD1-CD2 4.39Å; I174-F178 HydrophobicContact CG1-CD2 3.62Å; I174-F178 HydrophobicContact CG1-CE2 4.18Å; I174-F178 HydrophobicContact CG1-CG 4.46Å; I174-F178 PolarHBondContact O-N 3.22Å
175	N	78.4	Confident	74.6	Confident	73 Å²	73	65.1 Å²	65.1	39%	0.39	33%	0.334	S	S	.	.	H	α-helix	trans	-59.5	-26.6	175.4	-58.8	3.3	0	0	0	113.1	Q173 Y177 G179	Q173-N175 PolarHBondContact O-N 3.38Å; N175-Y177 VanDerWaalsContact C-N 3.27Å; N175-Y177 PolarHBondContact O-N 3.2Å; N175-G179 WeakPolarHBondContact O-CA 3.42Å; N175-G179 PolarHBondContact O-N 3.04Å; N175-G179 VanDerWaalsContact O-N 3.09Å
176	K	75.5	Confident	73.7	Confident	92 Å²	92	67.7 Å²	67.7	40%	0.4	35%	0.346	S	S	.	.	H	α-helix	trans	-67.8	-26.6	175.2	-174	-179.7	176.7	-175.8	0	112.7	Q173 I174 V182	Q173-K176 VanDerWaalsContact O-CB 3.22Å; Q173-K176 WeakPolarHBondContact O-CB 3.39Å; Q173-K176 PolarHBondContact O-N 3.13Å; I174-K176 PolarHBondContact O-N 3.36Å; K176-V182 WeakPolarHBondContact O-CG1 3.4Å
177	Y	74.7	Confident	73	Confident	13 Å²	13	67.2 Å²	67.2	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-107.4	-30.2	-171.4	-63.2	-71	0	0	0	113.1	I174 N175 C188 Y191 I195	I174-Y177 PolarHBondContact O-N 2.91Å; N175-Y177 VanDerWaalsContact C-N 3.27Å; N175-Y177 PolarHBondContact O-N 3.2Å; Y177-C188 HydrophobicContact CD1-CB 4.37Å; Y177-Y191 AromaticContact CE1-CD2 3.88Å; Y177-Y191 HydrophobicContact CE1-CD2 3.88Å; Y177-Y191 AromaticContact CE1-CG 3.86Å; Y177-Y191 HydrophobicContact CE1-CG 3.86Å; Y177-Y191 AromaticContact CZ-CG 3.98Å; Y177-I195 HydrophobicContact CD2-CD1 4.3Å
178	F	77.1	Confident	72.4	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-123.6	-11.6	-174.1	-66.9	-91.9	0	0	0	115	Y159 I174 I195 L196 I242 H245 F262	Y159-F178 HydrophobicContact CE2-CB 4.28Å; Y159-F178 PolarHBondContact OH-O 2.65Å; I174-F178 HydrophobicContact CD1-CD2 4.39Å; I174-F178 HydrophobicContact CG1-CD2 3.62Å; I174-F178 HydrophobicContact CG1-CE2 4.18Å; I174-F178 HydrophobicContact CG1-CG 4.46Å; I174-F178 PolarHBondContact O-N 3.22Å; F178-I195 HydrophobicContact CE2-CB 4.41Å; F178-I195 HydrophobicContact CE2-CD1 4.25Å; F178-I195 HydrophobicContact CE2-CG2 3.91Å; F178-I195 HydrophobicContact CZ-CG2 4.09Å; F178-L196 HydrophobicContact CE1-CD2 4.42Å; F178-L196 HydrophobicContact CZ-CD2 4.44Å; F178-I242 HydrophobicContact CE1-CD1 3.93Å; F178-H245 PolarHBondContact O-NE2 3.3Å; F178-F262 HydrophobicContact CD1-CB 3.75Å; F178-F262 AromaticContact CD1-CD1 3.63Å; F178-F262 HydrophobicContact CD1-CD1 3.63Å; F178-F262 HydrophobicContact CD1-CD2 4.23Å; F178-F262 HydrophobicContact CD1-CE1 4.26Å; F178-F262 AromaticContact CD1-CG 3.6Å; F178-F262 HydrophobicContact CD1-CG 3.6Å; F178-F262 HydrophobicContact CE1-CB 3.85Å; F178-F262 AromaticContact CE1-CD1 3.9Å; F178-F262 HydrophobicContact CE1-CD1 3.9Å; F178-F262 AromaticContact CE1-CD2 3.67Å; F178-F262 HydrophobicContact CE1-CD2 3.67Å; F178-F262 HydrophobicContact CE1-CE1 4.36Å; F178-F262 HydrophobicContact CE1-CE2 4.15Å; F178-F262 AromaticContact CE1-CG 3.53Å; F178-F262 HydrophobicContact CE1-CG 3.53Å; F178-F262 HydrophobicContact CE1-CZ 4.48Å
179	G	66.8	Low	71.8	Confident	9 Å²	9	65.3 Å²	65.3	9%	0.093	34%	0.337	C	S	.	.	S	Bend	trans	-97.1	173	-175.2	0	0	0	0	0	114.9	N175 H181 V182	N175-G179 WeakPolarHBondContact O-CA 3.42Å; N175-G179 PolarHBondContact O-N 3.04Å; N175-G179 VanDerWaalsContact O-N 3.09Å; G179-H181 PolarHBondContact O-N 3.3Å; G179-V182 WeakPolarHBondContact O-CG2 3.12Å; G179-V182 PolarHBondContact O-N 3.18Å
180	D	60.8	Low	71.4	Confident	115 Å²	115	63.1 Å²	63.1	62%	0.615	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-17	-164.9	-56.4	17.8	0	0	0	117.2	P247	D180-P247 WeakPolarHBondContact OD1-CD 3.29Å
181	H	60.3	Low	71.6	Confident	175 Å²	175	59.2 Å²	59.2	81%	0.81	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	41.9	-174.3	-64.9	-13.2	0	0	0	112.5	G179 I183	G179-H181 PolarHBondContact O-N 3.3Å; H181-I183 PolarHBondContact O-N 3.01Å
182	V	60.6	Low	71.6	Confident	23 Å²	23	53.3 Å²	53.3	14%	0.139	28%	0.277	C	S	.	.			trans	-57.2	127.5	173.1	-177.5	0	0	0	0	111.1	K176 G179 G184 Q261	K176-V182 WeakPolarHBondContact O-CG1 3.4Å; G179-V182 WeakPolarHBondContact O-CG2 3.12Å; G179-V182 PolarHBondContact O-N 3.18Å; V182-G184 PolarHBondContact O-N 3.42Å; V182-Q261 HydrophobicContact CB-CG 4.18Å; V182-Q261 HydrophobicContact CG1-CB 4.32Å; V182-Q261 HydrophobicContact CG1-CG 3.69Å; V182-Q261 PolarHBondContact O-NE2 2.64Å
183	I	57.1	Low	71.7	Confident	131 Å²	131	54.5 Å²	54.5	67%	0.672	28%	0.283	S	S	*	.			trans	-79.4	101.5	164.3	-57.9	174.3	0	0	0	107	H181 C188	H181-I183 PolarHBondContact O-N 3.01Å; I183-C188 PolarHBondContact O-SG 2.84Å
184	G	56.2	Low	72.2	Confident	33 Å²	33	49.4 Å²	49.4	34%	0.34	26%	0.259	S	S	.	.			trans	-64.4	150.8	-175.8	0	0	0	0	0	114	V182 H257	V182-G184 PolarHBondContact O-N 3.42Å; G184-H257 WeakPolarHBondContact CA-O 3.43Å
185	G	64.4	Low	72.7	Confident	27 Å²	27	49.4 Å²	49.4	28%	0.278	26%	0.259	S	S	.	.	S	Bend	trans	161.5	163.7	-178.2	0	0	0	0	0	114.1	E187 C188 A189 L259	G185-E187 VanDerWaalsContact C-N 3.33Å; G185-E187 PolarHBondContact O-N 3.17Å; G185-C188 PolarHBondContact O-N 3.41Å; G185-A189 PolarHBondContact O-N 2.96Å; G185-L259 PolarHBondContact N-O 3.36Å
186	I	65.9	Low	73.3	Confident	69 Å²	69	47.1 Å²	47.1	35%	0.354	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-36.6	-175.6	-58.9	171.2	0	0	0	111.7	F69 L70 C188 A189 W417	F69-I186 HydrophobicContact CB-CG2 4.46Å; L70-I186 HydrophobicContact CD1-CG2 4.29Å; I186-C188 PolarHBondContact O-N 3.27Å; I186-A189 VanDerWaalsContact O-CB 3.26Å; I186-A189 WeakPolarHBondContact O-CB 3.4Å; I186-A189 PolarHBondContact O-N 3.47Å; I186-W417 HydrophobicContact CD1-CH2 4.36Å
187	E	68.2	Low	74	Confident	150 Å²	150	46.8 Å²	46.8	70%	0.701	24%	0.243	S	C	*	.	H	α-helix	trans	-63.3	-41.2	177.1	-63.4	-175.5	-172.6	0	0	112.3	G185 A189 E190 Y191	G185-E187 VanDerWaalsContact C-N 3.33Å; G185-E187 PolarHBondContact O-N 3.17Å; E187-A189 PolarHBondContact O-N 3.06Å; E187-E190 PolarHBondContact O-N 3.33Å; E187-Y191 WeakPolarHBondContact O-CD2 3.37Å; E187-Y191 PolarHBondContact O-N 3.33Å
188	C	74.6	Confident	74.9	Confident	15 Å²	15	46.2 Å²	46.2	10%	0.101	24%	0.241	C	C	.	.	H	α-helix	trans	-61.9	-36.3	178.3	-61.3	0	0	0	0	111.1	Y177 I183 G185 I186 E190 Y191 C192	Y177-C188 HydrophobicContact CD1-CB 4.37Å; I183-C188 PolarHBondContact O-SG 2.84Å; G185-C188 PolarHBondContact O-N 3.41Å; I186-C188 PolarHBondContact O-N 3.27Å; C188-E190 PolarHBondContact O-N 2.81Å; C188-Y191 PolarHBondContact O-N 2.9Å; C188-C192 PolarHBondContact O-N 2.78Å; C188-C192 PolarHBondContact O-SG 3.2Å
189	A	74.6	Confident	75.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.3	-49.2	176.4	0	0	0	0	0	112.5	F69 G185 I186 E187 C192 E193 G260	F69-A189 HydrophobicContact CD2-CB 3.91Å; F69-A189 HydrophobicContact CE1-CB 4.19Å; F69-A189 HydrophobicContact CE2-CB 3.5Å; F69-A189 HydrophobicContact CG-CB 4.43Å; F69-A189 HydrophobicContact CZ-CB 3.65Å; G185-A189 PolarHBondContact O-N 2.96Å; I186-A189 VanDerWaalsContact O-CB 3.26Å; I186-A189 WeakPolarHBondContact O-CB 3.4Å; I186-A189 PolarHBondContact O-N 3.47Å; E187-A189 PolarHBondContact O-N 3.06Å; A189-C192 PolarHBondContact O-N 3.17Å; A189-E193 WeakPolarHBondContact O-CB 3.33Å; A189-E193 PolarHBondContact O-N 3.13Å; A189-G260 WeakPolarHBondContact CA-O 3.42Å; A189-G260 VanDerWaalsContact CB-CA 3.42Å; A189-G260 PolarHBondContact N-O 2.91Å
190	E	77.4	Confident	77	Confident	23 Å²	23	45.7 Å²	45.7	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-39.8	-179.5	-166.4	-169.3	147.2	0	0	111.5	I65 S67 R96 E187 C188 C192 E193 I194	I65-E190 VanDerWaalsContact CG2-CD 3.5Å; I65-E190 WeakPolarHBondContact CG2-OE1 3.38Å; I65-E190 WeakPolarHBondContact CG2-OE2 3.46Å; S67-E190 WeakPolarHBondContact CA-OE2 3.46Å; S67-E190 WeakPolarHBondContact CB-OE2 3.46Å; R96-E190 IonicContact CZ-OE1 3.51Å; R96-E190 IonicContact NH1-OE1 3.4Å; R96-E190 PolarHBondContact NH1-OE1 3.4Å; R96-E190 IonicContact NH2-OE1 2.85Å; R96-E190 PolarHBondContact NH2-OE1 2.91Å; E187-E190 PolarHBondContact O-N 3.33Å; C188-E190 PolarHBondContact O-N 2.81Å; E190-C192 VanDerWaalsContact C-N 3.35Å; E190-C192 PolarHBondContact O-N 2.99Å; E190-E193 PolarHBondContact O-N 3Å; E190-I194 HydrophobicContact CG-CD1 3.96Å; E190-I194 HydrophobicContact CG-CG1 4.39Å; E190-I194 WeakPolarHBondContact O-CB 3.33Å; E190-I194 VanDerWaalsContact O-CG1 3.25Å; E190-I194 WeakPolarHBondContact O-CG1 3.42Å; E190-I194 PolarHBondContact O-N 2.77Å
191	Y	83.8	Confident	78.5	Confident	46 Å²	46	40.2 Å²	40.2	18%	0.18	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-42.7	175.6	-75.7	-62.7	0	0	0	111.8	K103 Y107 Y177 E187 C188 I194 I195	K103-Y191 HydrophobicContact CD-CE1 4.23Å; K103-Y191 PolarHBondContact NZ-OH 3.31Å; Y107-Y191 HydrophobicContact CE2-CD1 4.02Å; Y177-Y191 AromaticContact CE1-CD2 3.88Å; Y177-Y191 HydrophobicContact CE1-CD2 3.88Å; Y177-Y191 AromaticContact CE1-CG 3.86Å; Y177-Y191 HydrophobicContact CE1-CG 3.86Å; Y177-Y191 AromaticContact CZ-CG 3.98Å; E187-Y191 WeakPolarHBondContact O-CD2 3.37Å; E187-Y191 PolarHBondContact O-N 3.33Å; C188-Y191 PolarHBondContact O-N 2.9Å; Y191-I194 PolarHBondContact O-N 3Å; Y191-I195 WeakPolarHBondContact O-CB 3.47Å; Y191-I195 WeakPolarHBondContact O-CD1 3.32Å; Y191-I195 VanDerWaalsContact O-CG1 3.24Å; Y191-I195 WeakPolarHBondContact O-CG1 3.36Å; Y191-I195 PolarHBondContact O-N 3.25Å
192	C	85.6	Confident	80.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-45.9	172.9	-64.6	0	0	0	0	112.1	C188 A189 E190 I194 I195 L196 L393	C188-C192 PolarHBondContact O-N 2.78Å; C188-C192 PolarHBondContact O-SG 3.2Å; A189-C192 PolarHBondContact O-N 3.17Å; E190-C192 VanDerWaalsContact C-N 3.35Å; E190-C192 PolarHBondContact O-N 2.99Å; C192-I194 VanDerWaalsContact C-N 3.33Å; C192-I194 PolarHBondContact O-N 2.76Å; C192-I195 PolarHBondContact O-N 3.02Å; C192-I195 VanDerWaalsContact O-N 3.16Å; C192-L196 WeakPolarHBondContact O-CG 3.14Å; C192-L196 PolarHBondContact O-N 3.17Å; C192-L393 HydrophobicContact CB-CD1 4.04Å; C192-L393 HydrophobicContact CB-CD2 3.52Å; C192-L393 HydrophobicContact CB-CG 4.38Å
193	E	84.5	Confident	81.6	Confident	29 Å²	29	30.9 Å²	30.9	14%	0.136	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-40	178.9	-166.4	-171.8	161.6	0	0	112	A189 E190 R197 L393	A189-E193 WeakPolarHBondContact O-CB 3.33Å; A189-E193 PolarHBondContact O-N 3.13Å; E190-E193 PolarHBondContact O-N 3Å; E193-R197 WeakPolarHBondContact O-CB 3.33Å; E193-R197 WeakPolarHBondContact O-CG 3.5Å; E193-R197 PolarHBondContact O-N 3.49Å; E193-R197 VanDerWaalsContact O-N 3.13Å; E193-R197 IonicContact OE1-CZ 2.65Å; E193-R197 IonicContact OE1-NH1 3.01Å; E193-R197 PolarHBondContact OE1-NH1 2.91Å; E193-R197 IonicContact OE1-NH2 2.64Å; E193-R197 PolarHBondContact OE1-NH2 3.19Å; E193-L393 HydrophobicContact CB-CD1 4.34Å
194	I	88.7	Confident	83.2	Confident	12 Å²	12	24.7 Å²	24.7	6%	0.062	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-43.4	173.3	-68	164.9	0	0	0	111	F93 V104 Y107 E190 Y191 C192 R197 A198	F93-I194 HydrophobicContact CE1-CG2 4.22Å; F93-I194 HydrophobicContact CZ-CG2 4.33Å; V104-I194 HydrophobicContact CG1-CG2 4.25Å; V104-I194 HydrophobicContact CG2-CG2 4.21Å; Y107-I194 HydrophobicContact CD2-CG2 3.92Å; E190-I194 HydrophobicContact CG-CD1 3.96Å; E190-I194 HydrophobicContact CG-CG1 4.39Å; E190-I194 WeakPolarHBondContact O-CB 3.33Å; E190-I194 VanDerWaalsContact O-CG1 3.25Å; E190-I194 WeakPolarHBondContact O-CG1 3.42Å; E190-I194 PolarHBondContact O-N 2.77Å; Y191-I194 PolarHBondContact O-N 3Å; C192-I194 VanDerWaalsContact C-N 3.33Å; C192-I194 PolarHBondContact O-N 2.76Å; I194-R197 PolarHBondContact O-N 3.27Å; I194-A198 VanDerWaalsContact O-CB 3.29Å; I194-A198 WeakPolarHBondContact O-CB 3.43Å; I194-A198 PolarHBondContact O-N 3.3Å
195	I	91	Very high	84.9	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-44.7	179.9	-71.4	164.7	0	0	0	111	Y107 L172 Y177 F178 Y191 C192 R197 A198 F199	Y107-I195 HydrophobicContact CD2-CG1 4.09Å; Y107-I195 HydrophobicContact CE2-CG1 4.4Å; L172-I195 HydrophobicContact CD2-CD1 4.34Å; L172-I195 HydrophobicContact CD2-CG1 4.27Å; Y177-I195 HydrophobicContact CD2-CD1 4.3Å; F178-I195 HydrophobicContact CE2-CB 4.41Å; F178-I195 HydrophobicContact CE2-CD1 4.25Å; F178-I195 HydrophobicContact CE2-CG2 3.91Å; F178-I195 HydrophobicContact CZ-CG2 4.09Å; Y191-I195 WeakPolarHBondContact O-CB 3.47Å; Y191-I195 WeakPolarHBondContact O-CD1 3.32Å; Y191-I195 VanDerWaalsContact O-CG1 3.24Å; Y191-I195 WeakPolarHBondContact O-CG1 3.36Å; Y191-I195 PolarHBondContact O-N 3.25Å; C192-I195 PolarHBondContact O-N 3.02Å; C192-I195 VanDerWaalsContact O-N 3.16Å; I195-R197 VanDerWaalsContact C-N 3.34Å; I195-R197 PolarHBondContact O-N 3.23Å; I195-A198 WeakPolarHBondContact O-CB 3.35Å; I195-A198 PolarHBondContact O-N 3.34Å; I195-A198 VanDerWaalsContact O-N 3.12Å; I195-F199 HydrophobicContact CG2-CD2 3.9Å; I195-F199 HydrophobicContact CG2-CE2 3.54Å; I195-F199 VanDerWaalsContact O-CD2 3.24Å; I195-F199 WeakPolarHBondContact O-CD2 3.25Å; I195-F199 PolarHBondContact O-N 2.95Å
196	L	91	Very high	86	Confident	25 Å²	25	22.2 Å²	22.2	13%	0.131	10%	0.103	C	C	.	.	H	α-helix	trans	-59.9	-43.2	175.7	-68	172.4	0	0	0	111.8	F178 C192 F199 G200 I242 F262 L393 N433	F178-L196 HydrophobicContact CE1-CD2 4.42Å; F178-L196 HydrophobicContact CZ-CD2 4.44Å; C192-L196 WeakPolarHBondContact O-CG 3.14Å; C192-L196 PolarHBondContact O-N 3.17Å; L196-F199 PolarHBondContact O-N 2.52Å; L196-G200 PolarHBondContact O-N 2.74Å; L196-I242 HydrophobicContact CD2-CD1 3.55Å; L196-I242 HydrophobicContact CD2-CG1 4.2Å; L196-F262 HydrophobicContact CD1-CD2 4.17Å; L196-F262 HydrophobicContact CD1-CE2 4.01Å; L196-F262 HydrophobicContact CD2-CE2 4.1Å; L196-L393 HydrophobicContact CD1-CD1 4.04Å; L196-L393 HydrophobicContact CD1-CG 4.48Å; L196-N433 HydrophobicContact CD1-CB 4.46Å
197	R	91.4	Very high	87	Confident	86 Å²	86	18.9 Å²	18.9	33%	0.325	9%	0.086	S	C	.	.	H	α-helix	trans	-66.3	-34	173.8	-77	170.3	174.6	150.9	10.9	112.9	Y92 F93 E193 I194 I195 G200 L201	Y92-R197 WeakPolarHBondContact O-CD 3.48Å; F93-R197 HydrophobicContact CD1-CB 4.48Å; F93-R197 HydrophobicContact CE1-CB 3.62Å; F93-R197 HydrophobicContact CE2-CB 4.49Å; F93-R197 HydrophobicContact CZ-CB 3.62Å; E193-R197 WeakPolarHBondContact O-CB 3.33Å; E193-R197 WeakPolarHBondContact O-CG 3.5Å; E193-R197 PolarHBondContact O-N 3.49Å; E193-R197 VanDerWaalsContact O-N 3.13Å; E193-R197 IonicContact OE1-CZ 2.65Å; E193-R197 IonicContact OE1-NH1 3.01Å; E193-R197 PolarHBondContact OE1-NH1 2.91Å; E193-R197 IonicContact OE1-NH2 2.64Å; E193-R197 PolarHBondContact OE1-NH2 3.19Å; I194-R197 PolarHBondContact O-N 3.27Å; I195-R197 VanDerWaalsContact C-N 3.34Å; I195-R197 PolarHBondContact O-N 3.23Å; R197-G200 PolarHBondContact O-N 3.01Å; R197-L201 WeakPolarHBondContact O-CB 3.45Å; R197-L201 PolarHBondContact O-N 2.9Å
198	A	93.6	Very high	87.8	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69.6	-30.9	175.6	0	0	0	0	0	112.9	F93 T111 I194 I195 A202	F93-A198 HydrophobicContact CZ-CB 4.45Å; T111-A198 HydrophobicContact CG2-CB 3.96Å; T111-A198 PolarHBondContact OG1-O 3.2Å; I194-A198 VanDerWaalsContact O-CB 3.29Å; I194-A198 WeakPolarHBondContact O-CB 3.43Å; I194-A198 PolarHBondContact O-N 3.3Å; I195-A198 WeakPolarHBondContact O-CB 3.35Å; I195-A198 PolarHBondContact O-N 3.34Å; I195-A198 VanDerWaalsContact O-N 3.12Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.22Å; A198-A202 PolarHBondContact O-N 3.13Å; A198-A202 VanDerWaalsContact O-N 3.1Å
199	F	94.2	Very high	88.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.3	-46.5	169.1	-77.9	-69.4	0	0	0	111.8	T111 F114 L115 I157 I162 L168 I195 L196 L201 A202 L203 A240	T111-F199 HydrophobicContact CG2-CD1 3.94Å; T111-F199 HydrophobicContact CG2-CD2 4.26Å; T111-F199 HydrophobicContact CG2-CE1 3.98Å; T111-F199 HydrophobicContact CG2-CE2 4.3Å; T111-F199 HydrophobicContact CG2-CG 4.08Å; T111-F199 HydrophobicContact CG2-CZ 4.17Å; F114-F199 AromaticContact CD1-CE1 3.72Å; F114-F199 HydrophobicContact CD1-CE1 3.72Å; F114-F199 AromaticContact CE1-CE1 3.76Å; F114-F199 HydrophobicContact CE1-CE1 3.76Å; F114-F199 HydrophobicContact CE1-CZ 4.45Å; L115-F199 HydrophobicContact CD1-CD1 4.03Å; L115-F199 HydrophobicContact CG-CD1 4.37Å; I157-F199 HydrophobicContact CD1-CB 4.36Å; I157-F199 HydrophobicContact CD1-CD1 4.09Å; I157-F199 HydrophobicContact CD1-CG 4.38Å; I162-F199 HydrophobicContact CD1-CZ 4.31Å; I162-F199 HydrophobicContact CG1-CZ 4.44Å; I162-F199 HydrophobicContact CG2-CZ 4.41Å; L168-F199 HydrophobicContact CD1-CZ 4.23Å; I195-F199 HydrophobicContact CG2-CD2 3.9Å; I195-F199 HydrophobicContact CG2-CE2 3.54Å; I195-F199 VanDerWaalsContact O-CD2 3.24Å; I195-F199 WeakPolarHBondContact O-CD2 3.25Å; I195-F199 PolarHBondContact O-N 2.95Å; L196-F199 PolarHBondContact O-N 2.52Å; F199-L201 PolarHBondContact O-N 2.99Å; F199-A202 WeakPolarHBondContact O-CB 3.13Å; F199-A202 PolarHBondContact O-N 3.32Å; F199-L203 PolarHBondContact O-N 3.47Å; F199-A240 HydrophobicContact CB-CB 3.52Å
200	G	92.7	Very high	88.5	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-44.5	176.3	0	0	0	0	0	113	Y92 L196 R197 A202 L203 H204	Y92-G200 VanDerWaalsContact CE1-C 3.4Å; Y92-G200 VanDerWaalsContact CZ-C 3.44Å; Y92-G200 PolarHBondContact OH-O 3.11Å; L196-G200 PolarHBondContact O-N 2.74Å; R197-G200 PolarHBondContact O-N 3.01Å; G200-A202 VanDerWaalsContact C-N 3.29Å; G200-A202 PolarHBondContact O-N 3.31Å; G200-L203 PolarHBondContact O-N 3.18Å; G200-H204 WeakPolarHBondContact O-CB 3.09Å; G200-H204 PolarHBondContact O-N 2.89Å
201	L	93.8	Very high	88.3	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-36.4	175.1	-178.1	66	0	0	0	112.5	Y86 G88 W89 Y92 F93 R197 F199 T205	Y86-L201 HydrophobicContact CD1-CD2 4.39Å; Y86-L201 HydrophobicContact CD1-CG 4.47Å; Y86-L201 HydrophobicContact CD2-CD2 4.46Å; Y86-L201 HydrophobicContact CG-CD2 4.07Å; Y86-L201 HydrophobicContact CG-CG 4.42Å; G88-L201 VanDerWaalsContact C-CD1 3.46Å; W89-L201 HydrophobicContact CE3-CD2 3.63Å; W89-L201 HydrophobicContact CZ3-CD2 3.98Å; Y92-L201 HydrophobicContact CD2-CB 3.82Å; Y92-L201 HydrophobicContact CD2-CD1 3.63Å; Y92-L201 HydrophobicContact CD2-CG 4.34Å; Y92-L201 HydrophobicContact CE2-CB 4.37Å; Y92-L201 HydrophobicContact CE2-CD1 4.21Å; Y92-L201 HydrophobicContact CG-CB 3.94Å; Y92-L201 HydrophobicContact CG-CD1 4.42Å; F93-L201 HydrophobicContact CD2-CD2 4.03Å; F93-L201 HydrophobicContact CE2-CD2 3.82Å; R197-L201 WeakPolarHBondContact O-CB 3.45Å; R197-L201 PolarHBondContact O-N 2.9Å; F199-L201 PolarHBondContact O-N 2.99Å; L201-T205 VanDerWaalsContact O-CB 3.27Å; L201-T205 WeakPolarHBondContact O-CB 3.26Å; L201-T205 PolarHBondContact O-N 3.22Å; L201-T205 PolarHBondContact O-OG1 3.28Å
202	A	93.5	Very high	87.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-46.1	175.9	0	0	0	0	0	112	L112 L115 A198 F199 G200 H204 T205 L206	L112-A202 HydrophobicContact CB-CB 3.86Å; L112-A202 HydrophobicContact CD1-CB 4.18Å; L115-A202 HydrophobicContact CD1-CB 3.66Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.22Å; A198-A202 PolarHBondContact O-N 3.13Å; A198-A202 VanDerWaalsContact O-N 3.1Å; F199-A202 WeakPolarHBondContact O-CB 3.13Å; F199-A202 PolarHBondContact O-N 3.32Å; G200-A202 VanDerWaalsContact C-N 3.29Å; G200-A202 PolarHBondContact O-N 3.31Å; A202-H204 PolarHBondContact O-N 3.03Å; A202-T205 PolarHBondContact O-N 3.22Å; A202-L206 WeakPolarHBondContact O-CG 3.4Å; A202-L206 PolarHBondContact O-N 2.99Å
203	L	91	Very high	86.7	Confident	2 Å²	2	27 Å²	27	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-46.7	172.6	-71.7	173.2	0	0	0	112	L115 V155 F199 G200 T205 L206 C207 I238 A240 L461	L115-L203 HydrophobicContact CD1-CD2 3.98Å; L115-L203 HydrophobicContact CD1-CG 3.9Å; L115-L203 HydrophobicContact CD2-CD2 4.17Å; V155-L203 HydrophobicContact CB-CD1 3.77Å; V155-L203 HydrophobicContact CB-CD2 4.31Å; V155-L203 HydrophobicContact CG1-CD1 4.48Å; V155-L203 HydrophobicContact CG1-CD2 4.3Å; V155-L203 HydrophobicContact CG2-CD1 4.05Å; V155-L203 HydrophobicContact CG2-CD2 4.25Å; F199-L203 PolarHBondContact O-N 3.47Å; G200-L203 PolarHBondContact O-N 3.18Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 3.15Å; L203-L206 PolarHBondContact O-N 3.41Å; L203-C207 WeakPolarHBondContact O-CB 3.31Å; L203-C207 PolarHBondContact O-N 2.92Å; L203-I238 HydrophobicContact CB-CG2 4.21Å; L203-I238 HydrophobicContact CD1-CG2 4.26Å; L203-A240 HydrophobicContact CD1-CB 3.97Å; L203-L461 HydrophobicContact CD2-CD1 4.2Å
204	H	91.6	Very high	85.1	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.9	-43.9	174.6	-172.7	-90.4	0	0	0	112.2	G88 Y92 G200 A202 L206 C207 Y208 P235 G236	G88-H204 VanDerWaalsContact CA-CE1 3.46Å; G88-H204 WeakPolarHBondContact CA-CE1 3.33Å; G88-H204 WeakPolarHBondContact CA-ND1 3.39Å; G88-H204 PolarHBondContact N-ND1 3.48Å; Y92-H204 HydrophobicContact CE2-CB 3.79Å; G200-H204 WeakPolarHBondContact O-CB 3.09Å; G200-H204 PolarHBondContact O-N 2.89Å; A202-H204 PolarHBondContact O-N 3.03Å; H204-L206 VanDerWaalsContact C-N 3.35Å; H204-L206 PolarHBondContact O-N 3.23Å; H204-C207 PolarHBondContact O-N 3.31Å; H204-Y208 VanDerWaalsContact O-CB 3.28Å; H204-Y208 WeakPolarHBondContact O-CB 3.47Å; H204-Y208 PolarHBondContact O-N 2.98Å; H204-P235 PolarHBondContact NE2-O 2.99Å; H204-G236 PolarHBondContact CD2-O 3.45Å
205	T	90.8	Very high	82.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.3	-32.7	179.2	-60.5	0	0	0	0	112.2	Y86 L112 L201 A202 L203 R209	Y86-T205 HydrophobicContact CD1-CG2 4.15Å; L112-T205 HydrophobicContact CD1-CG2 4.33Å; L112-T205 HydrophobicContact CD2-CG2 3.82Å; L201-T205 VanDerWaalsContact O-CB 3.27Å; L201-T205 WeakPolarHBondContact O-CB 3.26Å; L201-T205 PolarHBondContact O-N 3.22Å; L201-T205 PolarHBondContact O-OG1 3.28Å; A202-T205 PolarHBondContact O-N 3.22Å; L203-T205 VanDerWaalsContact C-N 3.31Å; L203-T205 PolarHBondContact O-N 3.15Å; T205-R209 WeakPolarHBondContact O-CB 3.39Å; T205-R209 WeakPolarHBondContact O-CD 3.23Å; T205-R209 WeakPolarHBondContact O-CG 3.43Å; T205-R209 PolarHBondContact O-N 2.93Å; T205-R209 VanDerWaalsContact O-N 3.15Å
206	L	88	Confident	80.1	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-56.1	171.2	-72.3	172	0	0	0	111	L112 L115 L126 W146 A202 L203 H204 Y208 R209 T210	L112-L206 HydrophobicContact CD1-CD1 4.34Å; L112-L206 HydrophobicContact CD1-CD2 3.85Å; L112-L206 HydrophobicContact CD1-CG 3.68Å; L115-L206 HydrophobicContact CB-CD1 3.86Å; L126-L206 HydrophobicContact CD2-CD2 4.22Å; W146-L206 HydrophobicContact CH2-CB 3.79Å; W146-L206 HydrophobicContact CH2-CD1 4.38Å; W146-L206 HydrophobicContact CZ2-CB 4.46Å; W146-L206 HydrophobicContact CZ3-CB 4.06Å; A202-L206 WeakPolarHBondContact O-CG 3.4Å; A202-L206 PolarHBondContact O-N 2.99Å; L203-L206 PolarHBondContact O-N 3.41Å; H204-L206 VanDerWaalsContact C-N 3.35Å; H204-L206 PolarHBondContact O-N 3.23Å; L206-Y208 VanDerWaalsContact C-N 3.26Å; L206-Y208 PolarHBondContact O-N 3.37Å; L206-R209 WeakPolarHBondContact O-CA 3.34Å; L206-R209 PolarHBondContact O-N 3.35Å; L206-T210 PolarHBondContact O-N 3.39Å; L206-T210 PolarHBondContact O-OG1 3.42Å; L206-T210 VanDerWaalsContact O-OG1 3.12Å
207	C	87.3	Confident	77.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-52.3	-43.9	178.4	-169.2	0	0	0	0	112.1	W146 L203 H204 T210 A211 I238	W146-C207 HydrophobicContact CE3-CB 3.71Å; W146-C207 HydrophobicContact CZ3-CB 4.24Å; L203-C207 WeakPolarHBondContact O-CB 3.31Å; L203-C207 PolarHBondContact O-N 2.92Å; H204-C207 PolarHBondContact O-N 3.31Å; C207-T210 PolarHBondContact O-N 3.5Å; C207-T210 PolarHBondContact O-OG1 3.41Å; C207-A211 WeakPolarHBondContact O-CB 3.39Å; C207-A211 PolarHBondContact O-N 3.08Å; C207-I238 HydrophobicContact CB-CD1 3.9Å
208	Y	85.3	Confident	75	Confident	23 Å²	23	46.3 Å²	46.3	9%	0.09	24%	0.244	C	C	.	.	I	π-helix	trans	-62.8	-44.8	174.6	-177.1	-95.2	0	0	0	112.9	P87 H204 L206 T210 Y212 K213 P218 L234 P235	P87-Y208 HydrophobicContact CB-CD1 4.43Å; P87-Y208 HydrophobicContact CB-CG 4.46Å; P87-Y208 HydrophobicContact CG-CD1 3.65Å; P87-Y208 HydrophobicContact CG-CD2 4.29Å; P87-Y208 HydrophobicContact CG-CE1 4.28Å; P87-Y208 HydrophobicContact CG-CG 3.66Å; H204-Y208 VanDerWaalsContact O-CB 3.28Å; H204-Y208 WeakPolarHBondContact O-CB 3.47Å; H204-Y208 PolarHBondContact O-N 2.98Å; L206-Y208 VanDerWaalsContact C-N 3.26Å; L206-Y208 PolarHBondContact O-N 3.37Å; Y208-T210 VanDerWaalsContact C-N 3.32Å; Y208-T210 PolarHBondContact O-N 2.92Å; Y208-Y212 HydrophobicContact CD2-CD2 4.41Å; Y208-Y212 HydrophobicContact CD2-CG 4.25Å; Y208-Y212 HydrophobicContact CE2-CG 4.28Å; Y208-Y212 WeakPolarHBondContact O-CB 3.48Å; Y208-Y212 PolarHBondContact O-N 2.88Å; Y208-Y212 VanDerWaalsContact O-N 3.14Å; Y208-K213 PolarHBondContact O-N 3.22Å; Y208-P218 WeakPolarHBondContact OH-CG 3.17Å; Y208-L234 HydrophobicContact CD2-CD2 3.83Å; Y208-L234 HydrophobicContact CE2-CD2 3.68Å; Y208-P235 HydrophobicContact CD2-CG 4.32Å
209	R	84.8	Confident	72.3	Confident	109 Å²	109	50.4 Å²	50.4	41%	0.411	27%	0.266	S	S	.	.	I	π-helix	trans	-67.9	-29.6	-178.9	-76.7	171.2	-173.2	-172	7.1	113.1	T205 L206 K213	T205-R209 WeakPolarHBondContact O-CB 3.39Å; T205-R209 WeakPolarHBondContact O-CD 3.23Å; T205-R209 WeakPolarHBondContact O-CG 3.43Å; T205-R209 PolarHBondContact O-N 2.93Å; T205-R209 VanDerWaalsContact O-N 3.15Å; L206-R209 WeakPolarHBondContact O-CA 3.34Å; L206-R209 PolarHBondContact O-N 3.35Å; R209-K213 HydrophobicContact CG-CD 4.47Å; R209-K213 WeakPolarHBondContact O-CB 3.12Å
210	T	77.9	Confident	69.8	Low	28 Å²	28	53.8 Å²	53.8	17%	0.172	28%	0.284	C	S	.	.	I	π-helix	trans	-92.2	-42.1	-177.2	55.5	0	0	0	0	113.1	L126 W146 L206 C207 Y208	L126-T210 HydrophobicContact CD2-CG2 4.18Å; L126-T210 VanDerWaalsContact O-CG2 3.22Å; L126-T210 WeakPolarHBondContact O-CG2 3.34Å; W146-T210 HydrophobicContact CZ2-CG2 4.37Å; W146-T210 PolarHBondContact NE1-OG1 3.36Å; L206-T210 PolarHBondContact O-N 3.39Å; L206-T210 PolarHBondContact O-OG1 3.42Å; L206-T210 VanDerWaalsContact O-OG1 3.12Å; C207-T210 PolarHBondContact O-N 3.5Å; C207-T210 PolarHBondContact O-OG1 3.41Å; Y208-T210 VanDerWaalsContact C-N 3.32Å; Y208-T210 PolarHBondContact O-N 2.92Å
211	A	74.1	Confident	67	Low	37 Å²	37	58.7 Å²	58.7	31%	0.306	31%	0.305	S	S	.	.	I	π-helix	trans	-90.1	-31.4	-175.8	0	0	0	0	0	114.1	W146 C207	W146-A211 HydrophobicContact CB-CB 4.2Å; C207-A211 WeakPolarHBondContact O-CB 3.39Å; C207-A211 PolarHBondContact O-N 3.08Å
212	Y	72	Confident	64	Low	71 Å²	71	65.8 Å²	65.8	28%	0.278	34%	0.335	S	S	.	.	I	π-helix	trans	-112.5	-12.9	-169.3	-69.6	-91.7	0	0	0	115	E150 Y208 H214 R233 P235	E150-Y212 WeakPolarHBondContact OE2-CE2 3.49Å; E150-Y212 PolarHBondContact OE2-OH 3.19Å; Y208-Y212 HydrophobicContact CD2-CD2 4.41Å; Y208-Y212 HydrophobicContact CD2-CG 4.25Å; Y208-Y212 HydrophobicContact CE2-CG 4.28Å; Y208-Y212 WeakPolarHBondContact O-CB 3.48Å; Y208-Y212 PolarHBondContact O-N 2.88Å; Y208-Y212 VanDerWaalsContact O-N 3.14Å; Y212-H214 PolarHBondContact O-N 2.98Å; Y212-R233 WeakPolarHBondContact CE1-O 3.12Å; Y212-P235 HydrophobicContact CD2-CG 3.89Å; Y212-P235 HydrophobicContact CE2-CG 3.72Å
213	K	64.7	Low	60.9	Low	135 Å²	135	71.6 Å²	71.6	59%	0.587	37%	0.371	S	S	*	.			trans	-96.2	50.7	-167.3	-150.6	-173.6	178.4	-169.4	0	114.7	Y208 R209	Y208-K213 PolarHBondContact O-N 3.22Å; R209-K213 HydrophobicContact CG-CD 4.47Å; R209-K213 WeakPolarHBondContact O-CB 3.12Å
214	H	50.2	Low	57.8	Low	114 Å²	114	79.2 Å²	79.2	53%	0.528	41%	0.406	S	S	.	.	S	Bend	trans	-100.8	114.8	163.4	-81.2	-82.8	0	0	0	110.4	N129 Y212 S216	N129-H214 PolarHBondContact ND2-CD2 2.82Å; N129-H214 PolarHBondContact ND2-NE2 3.21Å; Y212-H214 PolarHBondContact O-N 2.98Å; H214-S216 PolarHBondContact O-N 3.04Å
215	D	37.3	Very low	54.7	Low	161 Å²	161	87 Å²	87	86%	0.861	45%	0.448	S	S	*	.	S	Bend	trans	48.8	48.7	157	-55	-28.8	0	0	0	119.6
216	S	37.8	Very low	51.6	Low	97 Å²	97	96 Å²	96	68%	0.678	49%	0.49	S	S	*	.			trans	-160.3	156.5	143.7	45.5	0	0	0	0	112.5	H214	H214-S216 PolarHBondContact O-N 3.04Å
217	V	35.7	Very low	48.7	Very low	130 Å²	130	100.8 Å²	100.8	79%	0.788	52%	0.524	S	S	*	.			trans	-77.8	126.5	171.1	178.1	0	0	0	0	108.4	D219	V217-D219 PolarHBondContact O-N 2.89Å; V217-D219 VanDerWaalsContact O-N 3.08Å
218	P	38.6	Very low	45.8	Very low	56 Å²	56	109.8 Å²	109.8	36%	0.364	57%	0.57	S	S	.	*			trans	-79.6	98.9	-174	-8	25.6	0	0	0	110.7	Y208 I220	Y208-P218 WeakPolarHBondContact OH-CG 3.17Å; P218-I220 HydrophobicContact CB-CD1 3.56Å; P218-I220 HydrophobicContact CB-CG1 3.76Å; P218-I220 PolarHBondContact O-N 2.92Å
219	D	36.7	Very low	43	Very low	87 Å²	87	111.4 Å²	111.4	47%	0.465	59%	0.594	S	S	.	*			trans	-79.2	43	179.6	-128.6	-10.4	0	0	0	112.1	V217 F221 K222	V217-D219 PolarHBondContact O-N 2.89Å; V217-D219 VanDerWaalsContact O-N 3.08Å; D219-F221 PolarHBondContact O-N 2.9Å; D219-K222 HydrophobicContact CB-CD 4.45Å; D219-K222 PolarHBondContact O-N 3.1Å; D219-K222 VanDerWaalsContact O-N 3.14Å; D219-K222 WeakPolarHBondContact OD2-CD 3.29Å; D219-K222 WeakPolarHBondContact OD2-CE 3.28Å; D219-K222 IonicContact OD2-NZ 3.08Å; D219-K222 PolarHBondContact OD2-NZ 2.84Å
220	I	41.4	Very low	40.5	Very low	71 Å²	71	112.5 Å²	112.5	36%	0.364	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	-10.1	-168.6	-72.8	173.6	0	0	0	114.3	P218 L234	P218-I220 HydrophobicContact CB-CD1 3.56Å; P218-I220 HydrophobicContact CB-CG1 3.76Å; P218-I220 PolarHBondContact O-N 2.92Å; I220-L234 HydrophobicContact CD1-CD1 4.21Å; I220-L234 HydrophobicContact CD1-CD2 3.83Å; I220-L234 HydrophobicContact CD1-CG 3.96Å; I220-L234 HydrophobicContact CG2-CD1 4.35Å
221	F	34.1	Very low	38.3	Very low	104 Å²	104	118.5 Å²	118.5	46%	0.456	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.2	43.6	178.2	-64.9	-78	0	0	0	112.7	F80 D219	F80-F221 HydrophobicContact CB-CD2 4.25Å; F80-F221 HydrophobicContact CB-CE1 4.09Å; F80-F221 HydrophobicContact CB-CE2 3.69Å; F80-F221 HydrophobicContact CB-CZ 3.6Å; F80-F221 AromaticContact CD1-CD2 3.64Å; F80-F221 HydrophobicContact CD1-CD2 3.64Å; F80-F221 AromaticContact CD1-CE2 3.32Å; F80-F221 HydrophobicContact CD1-CE2 3.32Å; F80-F221 HydrophobicContact CD1-CZ 4.14Å; F80-F221 AromaticContact CD2-CE2 3.88Å; F80-F221 HydrophobicContact CD2-CE2 3.88Å; F80-F221 HydrophobicContact CD2-CZ 4.08Å; F80-F221 HydrophobicContact CE1-CD2 4.23Å; F80-F221 AromaticContact CE1-CE2 3.87Å; F80-F221 HydrophobicContact CE1-CE2 3.87Å; F80-F221 HydrophobicContact CE2-CE2 4.37Å; F80-F221 HydrophobicContact CG-CD2 4.03Å; F80-F221 AromaticContact CG-CE2 3.33Å; F80-F221 HydrophobicContact CG-CE2 3.33Å; F80-F221 AromaticContact CG-CZ 3.67Å; F80-F221 HydrophobicContact CG-CZ 3.67Å; F80-F221 HydrophobicContact CZ-CE2 4.36Å; D219-F221 PolarHBondContact O-N 2.9Å
222	K	31.6	Very low	37	Very low	148 Å²	148	120.2 Å²	120.2	64%	0.643	65%	0.651	S	S	*	*			trans	-103.8	106	156.8	-81.9	-180	178.1	162.4	0	109.9	D219	D219-K222 HydrophobicContact CB-CD 4.45Å; D219-K222 PolarHBondContact O-N 3.1Å; D219-K222 VanDerWaalsContact O-N 3.14Å; D219-K222 WeakPolarHBondContact OD2-CD 3.29Å; D219-K222 WeakPolarHBondContact OD2-CE 3.28Å; D219-K222 IonicContact OD2-NZ 3.08Å; D219-K222 PolarHBondContact OD2-NZ 2.84Å
223	V	29.1	Very low	36.5	Very low	123 Å²	123	126.8 Å²	126.8	75%	0.745	68%	0.675	S	S	*	*			trans	-69.9	152.3	155.6	177.6	0	0	0	0	107.6
224	E	25.7	Very low	36.7	Very low	161 Å²	161	123 Å²	123	75%	0.752	66%	0.661	S	S	*	*			trans	63.1	91.3	178.5	-69.9	146	-125.6	0	0	116
225	N	25	Very low	37.8	Very low	164 Å²	164	117.7 Å²	117.7	88%	0.877	64%	0.636	S	S	*	*				-173.4	154.5	105.6	-92.4	-46.6	0	0	0	113
226	E	27.3	Very low	39.8	Very low	188 Å²	188	111.7 Å²	111.7	88%	0.879	61%	0.613	S	S	*	*			trans	-85.9	109.2	-179.2	-60.6	178.2	127.8	0	0	111.8
227	S	26	Very low	42.2	Very low	109 Å²	109	110.5 Å²	110.5	76%	0.762	59%	0.594	S	S	*	*	S	Bend	trans	179.8	124.9	144.4	28	0	0	0	0	112.6	G229	S227-G229 PolarHBondContact O-N 3.14Å
228	I	27.5	Very low	44.8	Very low	189 Å²	189	104.4 Å²	104.4	97%	0.969	56%	0.556	S	S	*	*			trans	17.1	71.5	155.4	-42.3	-179.1	0	0	0	115.8
229	G	26.6	Very low	47.3	Very low	57 Å²	57	101.8 Å²	101.8	59%	0.588	54%	0.54	S	S	*	.			trans	-115.7	142.8	167.7	0	0	0	0	0	110.5	S227 N231	S227-G229 PolarHBondContact O-N 3.14Å; G229-N231 PolarHBondContact O-N 3.14Å; G229-N231 VanDerWaalsContact O-N 3.13Å
230	V	30.2	Very low	50	Low	132 Å²	132	98 Å²	98	80%	0.8	52%	0.52	S	S	*	.			trans	-66.6	114.1	178.1	178.2	0	0	0	0	109.2	T232	V230-T232 VanDerWaalsContact C-N 3.29Å; V230-T232 HydrophobicContact CG1-CG2 4.42Å; V230-T232 PolarHBondContact O-N 2.89Å
231	N	32.3	Very low	52.4	Low	155 Å²	155	95.3 Å²	95.3	83%	0.829	51%	0.506	S	S	*	.			trans	-67.1	85.6	174	-82.9	-44.5	0	0	0	110.4	G229 R233	G229-N231 PolarHBondContact O-N 3.14Å; G229-N231 VanDerWaalsContact O-N 3.13Å; N231-R233 PolarHBondContact O-N 2.82Å
232	T	46.8	Very low	55.1	Low	73 Å²	73	90.4 Å²	90.4	45%	0.448	48%	0.484	S	S	.	.			trans	-69	79.7	170.8	40.4	0	0	0	0	109.9	V230 L234	V230-T232 VanDerWaalsContact C-N 3.29Å; V230-T232 HydrophobicContact CG1-CG2 4.42Å; V230-T232 PolarHBondContact O-N 2.89Å; T232-L234 PolarHBondContact O-N 2.9Å
233	R	60.9	Low	57.8	Low	208 Å²	208	83.4 Å²	83.4	79%	0.785	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-50.4	128.1	171.1	-76.9	-174.7	170.7	-173.9	-2.6	109.1	Y212 N231	Y212-R233 WeakPolarHBondContact CE1-O 3.12Å; N231-R233 PolarHBondContact O-N 2.82Å
234	L	69.7	Low	60.2	Low	57 Å²	57	78.7 Å²	78.7	30%	0.298	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-62.8	147.5	166.9	-75.2	169.7	0	0	0	109.5	P87 Y208 I220 T232	P87-L234 HydrophobicContact CB-CD2 3.9Å; Y208-L234 HydrophobicContact CD2-CD2 3.83Å; Y208-L234 HydrophobicContact CE2-CD2 3.68Å; I220-L234 HydrophobicContact CD1-CD1 4.21Å; I220-L234 HydrophobicContact CD1-CD2 3.83Å; I220-L234 HydrophobicContact CD1-CG 3.96Å; I220-L234 HydrophobicContact CG2-CD1 4.35Å; T232-L234 PolarHBondContact O-N 2.9Å
235	P	72.9	Confident	63	Low	2 Å²	2	71.4 Å²	71.4	1%	0.013	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-54.4	148.1	173.1	-25.5	31.6	0	0	0	112.1	E150 H204 Y208 Y212	E150-P235 VanDerWaalsContact CD-CA 3.47Å; E150-P235 HydrophobicContact CG-CB 4.23Å; E150-P235 WeakPolarHBondContact OE1-CA 3.44Å; E150-P235 WeakPolarHBondContact OE2-CA 3.05Å; E150-P235 VanDerWaalsContact OE2-CB 3.31Å; E150-P235 WeakPolarHBondContact OE2-CB 3.27Å; H204-P235 PolarHBondContact NE2-O 2.99Å; Y208-P235 HydrophobicContact CD2-CG 4.32Å; Y212-P235 HydrophobicContact CD2-CG 3.89Å; Y212-P235 HydrophobicContact CE2-CG 3.72Å
236	G	80.5	Confident	65.7	Low	35 Å²	35	66.6 Å²	66.6	36%	0.361	37%	0.37	S	S	.	.			trans	-58.9	178.5	173.1	0	0	0	0	0	114	H204 I238	H204-G236 PolarHBondContact CD2-O 3.45Å; G236-I238 PolarHBondContact O-N 3.45Å
237	Y	87.4	Confident	68.4	Low	72 Å²	72	60.5 Å²	60.5	28%	0.282	35%	0.346	S	S	.	.			trans	-66.7	129	169.6	-179	-85.8	0	0	0	109.5	Y92 A239	Y92-Y237 HydrophobicContact CD1-CD2 4.26Å; Y92-Y237 AromaticContact CD1-CE2 3.58Å; Y92-Y237 HydrophobicContact CD1-CE2 3.58Å; Y92-Y237 AromaticContact CE1-CD2 3.75Å; Y92-Y237 HydrophobicContact CE1-CD2 3.75Å; Y92-Y237 AromaticContact CE1-CE2 3.31Å; Y92-Y237 HydrophobicContact CE1-CE2 3.31Å; Y92-Y237 AromaticContact CE1-CZ 3.77Å; Y92-Y237 HydrophobicContact CG-CE2 4.45Å; Y92-Y237 AromaticContact CZ-CD2 3.98Å; Y237-A239 HydrophobicContact CE1-CB 4.07Å
238	I	91.1	Very high	71.3	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	33%	0.327	C	S	.	.			trans	-115.6	113.9	179.2	-54.6	179.4	0	0	0	108.4	Y92 I149 G153 V155 L203 C207 G236	Y92-I238 PolarHBondContact OH-N 3.23Å; Y92-I238 PolarHBondContact OH-O 3.27Å; Y92-I238 VanDerWaalsContact OH-O 3.1Å; I149-I238 HydrophobicContact CG2-CD1 4.38Å; I149-I238 HydrophobicContact CG2-CG2 4.31Å; G153-I238 CarbonylContact O-C 3.55Å; G153-I238 WeakPolarHBondContact O-CA 3.37Å; V155-I238 HydrophobicContact CG2-CG2 4.15Å; L203-I238 HydrophobicContact CB-CG2 4.21Å; L203-I238 HydrophobicContact CD1-CG2 4.26Å; C207-I238 HydrophobicContact CB-CD1 3.9Å; G236-I238 PolarHBondContact O-N 3.45Å
239	A	91	Very high	74.2	Confident	2 Å²	2	50.6 Å²	50.6	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129	179	0	0	0	0	0	111.6	G153 A154 V155 Y237 R241	G153-A239 PolarHBondContact O-N 2.83Å; A154-A239 WeakPolarHBondContact CA-O 3.28Å; A154-A239 HydrophobicContact CB-CB 4.16Å; V155-A239 PolarHBondContact N-O 2.91Å; Y237-A239 HydrophobicContact CE1-CB 4.07Å; A239-R241 HydrophobicContact CB-CG 4.23Å
240	A	92.5	Very high	77.1	Confident	6 Å²	6	49.5 Å²	49.5	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.1	164.5	0	0	0	0	0	109.1	I157 F199 L203 N433	I157-A240 HydrophobicContact CD1-CB 3.99Å; F199-A240 HydrophobicContact CB-CB 3.52Å; L203-A240 HydrophobicContact CD1-CB 3.97Å; A240-N433 PolarHBondContact O-ND2 3.04Å
241	R	92.4	Very high	79.8	Confident	16 Å²	16	43.6 Å²	43.6	6%	0.06	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.5	-174	-59.2	-66.8	-178.5	-166.1	-2	109.4	A154 V155 L156 I157 A239 D377 N433	A154-R241 HydrophobicContact CB-CG 4.17Å; V155-R241 PolarHBondContact O-N 2.94Å; L156-R241 CarbonylContact C-O 3.55Å; L156-R241 WeakPolarHBondContact CA-O 2.98Å; L156-R241 HydrophobicContact CD2-CB 3.7Å; L156-R241 HydrophobicContact CD2-CG 4.32Å; I157-R241 PolarHBondContact N-O 3.13Å; A239-R241 HydrophobicContact CB-CG 4.23Å; R241-D377 IonicContact CZ-OD1 3.95Å; R241-D377 IonicContact CZ-OD2 3.26Å; R241-D377 IonicContact NE-OD2 2.78Å; R241-D377 PolarHBondContact NE-OD2 2.73Å; R241-D377 IonicContact NH2-OD1 2.73Å; R241-D377 PolarHBondContact NH2-OD1 2.99Å; R241-D377 IonicContact NH2-OD2 2.87Å; R241-D377 PolarHBondContact NH2-OD2 3.29Å; R241-N433 WeakPolarHBondContact CD-O 3.18Å; R241-N433 PolarHBondContact NH1-O 3.04Å
242	I	91.2	Very high	82.4	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.3	-178	-59.3	-179.4	0	0	0	110.1	I157 I162 F178 L196 F262 T391 N433 S434	I157-I242 WeakPolarHBondContact O-CA 3.42Å; I162-I242 HydrophobicContact CD1-CD1 3.75Å; I162-I242 HydrophobicContact CD1-CG1 3.86Å; I162-I242 HydrophobicContact CD1-CG2 4.04Å; F178-I242 HydrophobicContact CE1-CD1 3.93Å; L196-I242 HydrophobicContact CD2-CD1 3.55Å; L196-I242 HydrophobicContact CD2-CG1 4.2Å; I242-F262 HydrophobicContact CB-CZ 4.14Å; I242-F262 HydrophobicContact CD1-CZ 4.34Å; I242-F262 HydrophobicContact CG2-CE1 4.5Å; I242-T391 PolarHBondContact O-OG1 2.87Å; I242-N433 PolarHBondContact N-OD1 2.87Å; I242-S434 WeakPolarHBondContact O-CB 3.34Å
243	V	87.1	Confident	84.3	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	162.9	178.4	-60.6	0	0	0	0	111.9	L156 I157 D158 Y159 H245 I436	L156-V243 HydrophobicContact CB-CG1 4.16Å; L156-V243 HydrophobicContact CD1-CG1 4.41Å; L156-V243 HydrophobicContact CD2-CG1 4.12Å; L156-V243 HydrophobicContact CG-CG1 4.45Å; I157-V243 PolarHBondContact O-N 2.87Å; D158-V243 HydrophobicContact CB-CG2 4.43Å; Y159-V243 WeakPolarHBondContact CB-O 3.48Å; Y159-V243 PolarHBondContact N-O 3.32Å; V243-H245 VanDerWaalsContact C-N 3.26Å; V243-H245 PolarHBondContact O-N 3.22Å; V243-I436 HydrophobicContact CB-CD1 4.09Å; V243-I436 HydrophobicContact CG1-CD1 4.02Å
244	N	79.8	Confident	85.5	Confident	23 Å²	23	34.4 Å²	34.4	12%	0.123	18%	0.184	C	C	.	.	S	Bend	trans	57	29.1	176.4	-52.8	-33	0	0	0	115.6	D158 Y159 S246 H389	D158-N244 WeakPolarHBondContact OD1-CB 3.29Å; D158-N244 PolarHBondContact OD1-ND2 2.84Å; Y159-N244 VanDerWaalsContact CD1-O 3.28Å; Y159-N244 WeakPolarHBondContact CD1-O 3.38Å; N244-S246 PolarHBondContact O-N 2.89Å; N244-H389 WeakPolarHBondContact CA-NE2 3.49Å; N244-H389 PolarHBondContact N-NE2 3.25Å
245	H	85.8	Confident	86.3	Confident	9 Å²	9	39 Å²	39	4%	0.042	20%	0.197	C	C	.	.			trans	-60.2	132	172.5	-176.3	-85.6	0	0	0	110.9	Y159 F178 V243 F262 S264 T391	Y159-H245 AromaticContact CD2-CD2 3.63Å; Y159-H245 AromaticContact CE2-CD2 3.3Å; Y159-H245 WeakPolarHBondContact CE2-CD2 3.37Å; Y159-H245 AromaticContact CE2-NE2 3.71Å; Y159-H245 HydrophobicContact CG-CB 4.4Å; Y159-H245 AromaticContact CZ-CD2 3.59Å; Y159-H245 AromaticContact CZ-NE2 3.73Å; F178-H245 PolarHBondContact O-NE2 3.3Å; V243-H245 VanDerWaalsContact C-N 3.26Å; V243-H245 PolarHBondContact O-N 3.22Å; H245-F262 HydrophobicContact CB-CE1 4.15Å; H245-F262 AromaticContact CD2-CD1 3.66Å; H245-F262 AromaticContact CD2-CE1 3.78Å; H245-F262 AromaticContact CG-CE1 3.9Å; H245-F262 AromaticContact NE2-CD1 3.95Å; H245-S264 PolarHBondContact ND1-N 3.36Å; H245-S264 VanDerWaalsContact O-CB 3.29Å; H245-S264 WeakPolarHBondContact O-CB 3.37Å; H245-T391 HydrophobicContact CB-CG2 3.7Å
246	S	80.7	Confident	86.7	Confident	63 Å²	63	42.8 Å²	42.8	44%	0.441	23%	0.229	S	C	.	.	S	Bend	trans	-141.1	142.1	-175.8	-173.6	0	0	0	0	109.2	Y159 N244	Y159-S246 VanDerWaalsContact CE1-N 3.29Å; Y159-S246 WeakPolarHBondContact CE1-O 3.46Å; Y159-S246 VanDerWaalsContact CZ-O 3.29Å; Y159-S246 PolarHBondContact OH-O 3.04Å; N244-S246 PolarHBondContact O-N 2.89Å
247	P	85.2	Confident	86.8	Confident	60 Å²	60	46.8 Å²	46.8	39%	0.39	24%	0.238	S	C	.	.	S	Bend	cis	-75.3	153.3	4.2	30	-36.5	0	0	0	114.7	D180	D180-P247 WeakPolarHBondContact OD1-CD 3.29Å
248	I	85.5	Confident	86.8	Confident	69 Å²	69	44.2 Å²	44.2	35%	0.354	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-75.7	123.3	170	-53.3	-177.8	0	0	0	108.8	P250 K266 L486	I248-P250 WeakPolarHBondContact O-CD 3.49Å; I248-K266 HydrophobicContact CG2-CB 4.12Å; I248-L486 HydrophobicContact CD1-CD2 4.31Å
249	T	88.5	Confident	86.5	Confident	21 Å²	21	45.8 Å²	45.8	13%	0.129	24%	0.237	C	C	.	.			trans	-89.2	112.2	175.9	-61.4	0	0	0	0	110	K253 L254 S264	T249-K253 HydrophobicContact CG2-CB 4.48Å; T249-L254 HydrophobicContact CG2-CD2 3.66Å; T249-L254 HydrophobicContact CG2-CG 4.18Å; T249-S264 WeakPolarHBondContact CB-O 3.4Å; T249-S264 PolarHBondContact N-O 3.39Å
250	P	87.1	Confident	86	Confident	33 Å²	33	45.7 Å²	45.7	21%	0.214	24%	0.236	C	C	.	.			trans	-68.2	139.4	175.3	28.2	-34	0	0	0	109.9	I248 R252 K253	I248-P250 WeakPolarHBondContact O-CD 3.49Å; P250-R252 PolarHBondContact O-N 3.45Å; P250-K253 HydrophobicContact CG-CB 4.12Å; P250-K253 HydrophobicContact CG-CD 3.74Å; P250-K253 HydrophobicContact CG-CG 3.86Å; P250-K253 PolarHBondContact O-N 2.97Å
251	L	88.7	Confident	85.7	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.042	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23	-170.8	-55	-178.1	0	0	0	114	L254 V265 I338 E340 R368 L370	L251-L254 HydrophobicContact CB-CD1 4.28Å; L251-L254 HydrophobicContact CD2-CD1 3.69Å; L251-L254 WeakPolarHBondContact O-CB 3.31Å; L251-L254 PolarHBondContact O-N 2.75Å; L251-V265 HydrophobicContact CD2-CB 3.75Å; L251-V265 HydrophobicContact CD2-CG1 3.85Å; L251-V265 HydrophobicContact CD2-CG2 4.21Å; L251-I338 HydrophobicContact CD1-CD1 4.18Å; L251-I338 HydrophobicContact CD1-CG1 4.23Å; L251-I338 HydrophobicContact CD2-CD1 4.23Å; L251-E340 HydrophobicContact CB-CB 4.29Å; L251-E340 HydrophobicContact CD1-CB 4.28Å; L251-E340 HydrophobicContact CG-CB 4.49Å; L251-R368 HydrophobicContact CB-CB 4.09Å; L251-L370 HydrophobicContact CD1-CB 4.35Å; L251-L370 HydrophobicContact CD2-CB 4.1Å; L251-L370 HydrophobicContact CD2-CD2 3.82Å
252	R	85.4	Confident	85.6	Confident	83 Å²	83	45.9 Å²	45.9	31%	0.313	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.1	174.8	-157.4	175.6	-68	177.7	-9.3	114.7	P250 E340 N345	P250-R252 PolarHBondContact O-N 3.45Å; R252-E340 IonicContact CZ-OE1 3.18Å; R252-E340 IonicContact CZ-OE2 3.95Å; R252-E340 IonicContact NE-OE1 3.85Å; R252-E340 PolarHBondContact NE-OE1 3.49Å; R252-E340 IonicContact NE-OE2 2.8Å; R252-E340 PolarHBondContact NE-OE2 3.2Å; R252-E340 VanDerWaalsContact NE-OE2 3.12Å; R252-E340 IonicContact NH2-OE1 2.69Å; R252-E340 PolarHBondContact NH2-OE1 3.27Å; R252-E340 IonicContact NH2-OE2 3.65Å; R252-N345 PolarHBondContact NH1-ND2 3.09Å; R252-N345 PolarHBondContact NH1-OD1 3.16Å
253	K	86.3	Confident	85.6	Confident	141 Å²	141	46.1 Å²	46.1	61%	0.613	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.7	174.4	-70.9	-175.9	-175.5	177.8	0	112.3	T249 P250 R255 H258	T249-K253 HydrophobicContact CG2-CB 4.48Å; P250-K253 HydrophobicContact CG-CB 4.12Å; P250-K253 HydrophobicContact CG-CD 3.74Å; P250-K253 HydrophobicContact CG-CG 3.86Å; P250-K253 PolarHBondContact O-N 2.97Å; K253-R255 PolarHBondContact O-N 2.94Å; K253-H258 PolarHBondContact O-CE1 2.98Å; K253-H258 VanDerWaalsContact O-CE1 3.3Å
254	L	87.9	Confident	85.8	Confident	19 Å²	19	46 Å²	46	10%	0.099	24%	0.237	C	C	.	.			trans	-57.1	133.1	175.5	-67.7	174	0	0	0	112.1	T249 L251 H258 I263 L370	T249-L254 HydrophobicContact CG2-CD2 3.66Å; T249-L254 HydrophobicContact CG2-CG 4.18Å; L251-L254 HydrophobicContact CB-CD1 4.28Å; L251-L254 HydrophobicContact CD2-CD1 3.69Å; L251-L254 WeakPolarHBondContact O-CB 3.31Å; L251-L254 PolarHBondContact O-N 2.75Å; L254-H258 HydrophobicContact CD2-CB 4.48Å; L254-I263 HydrophobicContact CD2-CD1 3.47Å; L254-I263 VanDerWaalsContact CD2-CD1 3.47Å; L254-L370 HydrophobicContact CD1-CD2 3.91Å
255	R	85.3	Confident	86.3	Confident	153 Å²	153	45 Å²	45	58%	0.577	23%	0.231	S	C	*	.			trans	-154	162.9	-174	-73.1	-57.9	-138.6	-74.2	-4.6	109.6	K253 H257 H258	K253-R255 PolarHBondContact O-N 2.94Å; R255-H257 PolarHBondContact O-N 2.82Å; R255-H258 PolarHBondContact N-ND1 3.19Å; R255-H258 VanDerWaalsContact N-ND1 3.18Å; R255-H258 WeakPolarHBondContact O-CB 3.36Å; R255-H258 PolarHBondContact O-N 3.22Å; R255-H258 PolarHBondContact O-ND1 3.11Å
256	A	81.9	Confident	86.4	Confident	82 Å²	82	46 Å²	46	68%	0.678	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-54	-25.1	-177.8	0	0	0	0	0	115.6	H258 L259	A256-H258 PolarHBondContact O-N 3.05Å; A256-L259 WeakPolarHBondContact O-CB 3.48Å; A256-L259 PolarHBondContact O-N 2.81Å; A256-L259 VanDerWaalsContact O-N 3.12Å
257	H	82.8	Confident	86.8	Confident	120 Å²	120	43 Å²	43	56%	0.556	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-68.4	-16.7	174.3	58.9	-118.3	0	0	0	114.1	G184 R255 L259 Q261	G184-H257 WeakPolarHBondContact CA-O 3.43Å; R255-H257 PolarHBondContact O-N 2.82Å; H257-L259 PolarHBondContact O-N 2.89Å; H257-Q261 PolarHBondContact O-NE2 2.87Å
258	H	86.4	Confident	87	Confident	18 Å²	18	41 Å²	41	8%	0.083	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-75.8	-7.3	172.1	-59	82.1	0	0	0	112.6	K253 L254 R255 A256 G260 Q261 I394	K253-H258 PolarHBondContact O-CE1 2.98Å; K253-H258 VanDerWaalsContact O-CE1 3.3Å; L254-H258 HydrophobicContact CD2-CB 4.48Å; R255-H258 PolarHBondContact N-ND1 3.19Å; R255-H258 VanDerWaalsContact N-ND1 3.18Å; R255-H258 WeakPolarHBondContact O-CB 3.36Å; R255-H258 PolarHBondContact O-N 3.22Å; R255-H258 PolarHBondContact O-ND1 3.11Å; A256-H258 PolarHBondContact O-N 3.05Å; H258-G260 PolarHBondContact O-N 3.17Å; H258-Q261 WeakPolarHBondContact O-CB 3.43Å; H258-Q261 PolarHBondContact O-N 3.42Å; H258-I394 WeakPolarHBondContact O-CB 3.45Å
259	L	85	Confident	87.3	Confident	34 Å²	34	37.8 Å²	37.8	18%	0.178	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	124.9	179.1	-178.2	63.3	0	0	0	110.8	F69 G185 A256 H257 Q261 L396	F69-L259 HydrophobicContact CE1-CD1 4.14Å; G185-L259 PolarHBondContact N-O 3.36Å; A256-L259 WeakPolarHBondContact O-CB 3.48Å; A256-L259 PolarHBondContact O-N 2.81Å; A256-L259 VanDerWaalsContact O-N 3.12Å; H257-L259 PolarHBondContact O-N 2.89Å; L259-Q261 PolarHBondContact O-N 2.9Å; L259-L396 HydrophobicContact CD1-CD1 4.27Å; L259-L396 HydrophobicContact CD1-CD2 4.11Å; L259-L396 HydrophobicContact CD1-CG 3.74Å; L259-L396 HydrophobicContact CD2-CD1 4.02Å; L259-L396 HydrophobicContact CD2-CG 4.36Å
260	G	80.7	Confident	87.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	0.3	-176.3	0	0	0	0	0	115.4	A189 H258 I394	A189-G260 WeakPolarHBondContact CA-O 3.42Å; A189-G260 VanDerWaalsContact CB-CA 3.42Å; A189-G260 PolarHBondContact N-O 2.91Å; H258-G260 PolarHBondContact O-N 3.17Å; G260-I394 PolarHBondContact N-O 2.93Å
261	Q	86.2	Confident	87.7	Confident	21 Å²	21	38.8 Å²	38.8	10%	0.098	18%	0.183	C	C	.	.			trans	-84.2	146.4	174.2	-55.6	-169.7	-28	0	0	110.7	V182 H257 H258 L259 I263 I394	V182-Q261 HydrophobicContact CB-CG 4.18Å; V182-Q261 HydrophobicContact CG1-CB 4.32Å; V182-Q261 HydrophobicContact CG1-CG 3.69Å; V182-Q261 PolarHBondContact O-NE2 2.64Å; H257-Q261 PolarHBondContact O-NE2 2.87Å; H258-Q261 WeakPolarHBondContact O-CB 3.43Å; H258-Q261 PolarHBondContact O-N 3.42Å; L259-Q261 PolarHBondContact O-N 2.9Å; Q261-I263 HydrophobicContact CB-CG2 4Å; Q261-I394 PolarHBondContact O-N 3.32Å
262	F	89.5	Confident	87.8	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.8	164.9	-168.2	-83.9	0	0	0	108.5	F178 L196 I242 H245 G392 L393 N433	F178-F262 HydrophobicContact CD1-CB 3.75Å; F178-F262 AromaticContact CD1-CD1 3.63Å; F178-F262 HydrophobicContact CD1-CD1 3.63Å; F178-F262 HydrophobicContact CD1-CD2 4.23Å; F178-F262 HydrophobicContact CD1-CE1 4.26Å; F178-F262 AromaticContact CD1-CG 3.6Å; F178-F262 HydrophobicContact CD1-CG 3.6Å; F178-F262 HydrophobicContact CE1-CB 3.85Å; F178-F262 AromaticContact CE1-CD1 3.9Å; F178-F262 HydrophobicContact CE1-CD1 3.9Å; F178-F262 AromaticContact CE1-CD2 3.67Å; F178-F262 HydrophobicContact CE1-CD2 3.67Å; F178-F262 HydrophobicContact CE1-CE1 4.36Å; F178-F262 HydrophobicContact CE1-CE2 4.15Å; F178-F262 AromaticContact CE1-CG 3.53Å; F178-F262 HydrophobicContact CE1-CG 3.53Å; F178-F262 HydrophobicContact CE1-CZ 4.48Å; L196-F262 HydrophobicContact CD1-CD2 4.17Å; L196-F262 HydrophobicContact CD1-CE2 4.01Å; L196-F262 HydrophobicContact CD2-CE2 4.1Å; I242-F262 HydrophobicContact CB-CZ 4.14Å; I242-F262 HydrophobicContact CD1-CZ 4.34Å; I242-F262 HydrophobicContact CG2-CE1 4.5Å; H245-F262 HydrophobicContact CB-CE1 4.15Å; H245-F262 AromaticContact CD2-CD1 3.66Å; H245-F262 AromaticContact CD2-CE1 3.78Å; H245-F262 AromaticContact CG-CE1 3.9Å; H245-F262 AromaticContact NE2-CD1 3.95Å; F262-G392 WeakPolarHBondContact CA-O 3.41Å; F262-L393 HydrophobicContact CB-CD2 3.88Å; F262-L393 HydrophobicContact CD2-CD2 4.1Å; F262-L393 HydrophobicContact CD2-CG 4.12Å; F262-L393 HydrophobicContact CG-CD2 4.49Å; F262-N433 HydrophobicContact CE2-CB 3.69Å; F262-N433 HydrophobicContact CZ-CB 4.02Å
263	I	90.8	Very high	87.9	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162	-175.9	70.1	169.3	0	0	0	112	L254 Q261 V265 T391 G392 I394 M430	L254-I263 HydrophobicContact CD2-CD1 3.47Å; L254-I263 VanDerWaalsContact CD2-CD1 3.47Å; Q261-I263 HydrophobicContact CB-CG2 4Å; I263-V265 HydrophobicContact CD1-CG1 3.71Å; I263-V265 HydrophobicContact CG1-CG1 4.27Å; I263-T391 WeakPolarHBondContact O-CA 3.38Å; I263-G392 PolarHBondContact N-O 2.69Å; I263-G392 PolarHBondContact O-N 3.49Å; I263-I394 HydrophobicContact CD1-CD1 3.84Å; I263-I394 HydrophobicContact CD1-CG1 3.58Å; I263-I394 HydrophobicContact CG1-CD1 4.35Å; I263-I394 HydrophobicContact CG1-CG1 4Å; I263-M430 HydrophobicContact CG1-CE 4.43Å
264	S	91.4	Very high	88	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.4	161.3	167.5	0	0	0	0	111.4	H245 T249 H389 L390	H245-S264 PolarHBondContact ND1-N 3.36Å; H245-S264 VanDerWaalsContact O-CB 3.29Å; H245-S264 WeakPolarHBondContact O-CB 3.37Å; T249-S264 WeakPolarHBondContact CB-O 3.4Å; T249-S264 PolarHBondContact N-O 3.39Å; S264-H389 PolarHBondContact OG-CD2 3.47Å; S264-L390 CarbonylContact C-O 3.58Å; S264-L390 VanDerWaalsContact CA-O 3.29Å; S264-L390 WeakPolarHBondContact CA-O 3.48Å
265	V	91.7	Very high	88	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.4	167.8	-57.1	0	0	0	0	111.1	L251 I263 I338 L370 L390 M430	L251-V265 HydrophobicContact CD2-CB 3.75Å; L251-V265 HydrophobicContact CD2-CG1 3.85Å; L251-V265 HydrophobicContact CD2-CG2 4.21Å; I263-V265 HydrophobicContact CD1-CG1 3.71Å; I263-V265 HydrophobicContact CG1-CG1 4.27Å; V265-I338 HydrophobicContact CG2-CD1 3.77Å; V265-L370 HydrophobicContact CG1-CD2 4.43Å; V265-L370 HydrophobicContact CG2-CD2 4.33Å; V265-L390 HydrophobicContact CG2-CB 3.93Å; V265-L390 HydrophobicContact CG2-CD1 4.46Å; V265-L390 PolarHBondContact N-O 2.98Å; V265-L390 PolarHBondContact O-N 3.48Å; V265-M430 HydrophobicContact CG1-SD 4.4Å; V265-M430 HydrophobicContact CG2-CE 4.07Å; V265-M430 HydrophobicContact CG2-SD 3.55Å; V265-M430 VanDerWaalsContact CG2-SD 3.55Å
266	K	88.3	Confident	88	Confident	32 Å²	32	28 Å²	28	14%	0.139	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142	170.1	-170.4	179.7	-179.5	-178.4	0	109.2	I248 L388 L438 E489	I248-K266 HydrophobicContact CG2-CB 4.12Å; K266-L388 WeakPolarHBondContact CA-O 3.2Å; K266-L438 HydrophobicContact CD-CD1 4.39Å; K266-L438 HydrophobicContact CG-CD1 4.41Å; K266-E489 IonicContact NZ-OE1 3.24Å; K266-E489 PolarHBondContact NZ-OE1 3.06Å
267	G	88.7	Confident	88.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	170.3	178.3	0	0	0	0	0	114.4	Q339 L388	G267-Q339 CarbonylContact C-O 3.58Å; G267-Q339 WeakPolarHBondContact CA-O 3.43Å; G267-L388 PolarHBondContact N-O 3.35Å; G267-L388 PolarHBondContact O-N 3.05Å
268	I	89.1	Confident	88.5	Confident	18 Å²	18	23.5 Å²	23.5	9%	0.092	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.1	178	-56.3	174.5	0	0	0	109.2	V270 I338 Q339 D386 V387 L732	I268-V270 PolarHBondContact O-N 3.05Å; I268-I338 CarbonylContact O-C 3.52Å; I268-I338 WeakPolarHBondContact O-CA 3.37Å; I268-Q339 PolarHBondContact N-O 3.38Å; I268-Q339 PolarHBondContact O-N 2.91Å; I268-D386 CarbonylContact C-O 3.54Å; I268-D386 VanDerWaalsContact CA-O 3.27Å; I268-D386 WeakPolarHBondContact CA-O 3.13Å; I268-V387 HydrophobicContact CG1-CG2 4.38Å; I268-L732 HydrophobicContact CG2-CD2 3.85Å
269	V	92.4	Very high	88.6	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	116.8	172.6	-176.2	0	0	0	0	109.7	L272 V336 I338 C382 I383 G385 D386 L388	V269-L272 HydrophobicContact CG1-CD2 3.93Å; V269-L272 HydrophobicContact CG1-CG 4.43Å; V269-V336 HydrophobicContact CG1-CG1 3.85Å; V269-V336 HydrophobicContact CG2-CG1 4.27Å; V269-I338 HydrophobicContact CG2-CG2 4.45Å; V269-C382 HydrophobicContact CG2-CB 4.34Å; V269-I383 WeakPolarHBondContact CB-O 3.41Å; V269-G385 PolarHBondContact O-N 2.89Å; V269-D386 HydrophobicContact CG2-CB 4.11Å; V269-D386 PolarHBondContact N-O 2.95Å; V269-L388 HydrophobicContact CG2-CD1 3.39Å; V269-L388 HydrophobicContact CG2-CD2 4.48Å; V269-L388 HydrophobicContact CG2-CG 3.71Å
270	V	91	Very high	88.5	Confident	18 Å²	18	23.3 Å²	23.3	11%	0.109	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-42.1	172.8	-178.8	0	0	0	0	111.1	I268 T337 Q339 E726 A727 L732	I268-V270 PolarHBondContact O-N 3.05Å; V270-T337 PolarHBondContact N-O 3.3Å; V270-Q339 HydrophobicContact CG2-CB 3.44Å; V270-Q339 VanDerWaalsContact CG2-CB 3.44Å; V270-Q339 HydrophobicContact CG2-CG 4.39Å; V270-E726 CarbonylContact O-C 3.54Å; V270-E726 WeakPolarHBondContact O-CA 3.49Å; V270-A727 PolarHBondContact O-N 3.43Å; V270-L732 HydrophobicContact CB-CD2 4.47Å; V270-L732 HydrophobicContact CG2-CD2 3.99Å
271	R	91.8	Very high	88.9	Confident	58 Å²	58	24.9 Å²	24.9	22%	0.219	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.7	-175.7	176.8	-176.7	170.9	176	-8.3	112.2	V336 T337 I713 E715 L725 E726	R271-V336 WeakPolarHBondContact O-CA 3.49Å; R271-T337 PolarHBondContact N-O 2.83Å; R271-T337 PolarHBondContact O-N 2.83Å; R271-I713 HydrophobicContact CG-CD1 4.19Å; R271-E715 IonicContact CZ-OE1 3.12Å; R271-E715 IonicContact CZ-OE2 3.48Å; R271-E715 IonicContact NH2-OE1 3.74Å; R271-E715 PolarHBondContact NH2-OE1 3.39Å; R271-E715 IonicContact NH2-OE2 2.72Å; R271-E715 PolarHBondContact NH2-OE2 2.76Å; R271-L725 CarbonylContact C-O 3.59Å; R271-L725 WeakPolarHBondContact CA-O 3.47Å; R271-L725 WeakPolarHBondContact CG-O 3.4Å; R271-E726 HydrophobicContact CB-CB 4.44Å
272	L	90.5	Very high	89.1	Confident	15 Å²	15	24 Å²	24	8%	0.079	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.9	159.6	-60.2	-177.5	0	0	0	108.7	V269 V336 P384 G724 L725	V269-L272 HydrophobicContact CG1-CD2 3.93Å; V269-L272 HydrophobicContact CG1-CG 4.43Å; L272-V336 HydrophobicContact CD2-CB 4.29Å; L272-V336 HydrophobicContact CD2-CG1 3.91Å; L272-V336 HydrophobicContact CD2-CG2 3.51Å; L272-P384 HydrophobicContact CD1-CG 4.26Å; L272-P384 HydrophobicContact CG-CG 4.06Å; L272-G724 CarbonylContact O-C 3.59Å; L272-G724 WeakPolarHBondContact O-CA 3.43Å; L272-L725 PolarHBondContact N-O 2.99Å; L272-L725 PolarHBondContact O-N 3.44Å
273	G	89.1	Confident	89.2	Confident	6 Å²	6	23.9 Å²	23.9	6%	0.062	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	172.1	163.2	0	0	0	0	0	112	I335	G273-I335 WeakPolarHBondContact CA-O 3.25Å; G273-I335 PolarHBondContact N-O 2.85Å
274	P	87.7	Confident	89.2	Confident	20 Å²	20	23.6 Å²	23.6	13%	0.13	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	158.5	168.3	29.1	-35.1	0	0	0	111.1	E276 E715	P274-E276 HydrophobicContact CG-CG 4.28Å; P274-E715 WeakPolarHBondContact CD-OE2 3.29Å; P274-E715 HydrophobicContact CG-CB 4.13Å; P274-E715 HydrophobicContact CG-CG 4.45Å
275	V	88.1	Confident	89.4	Confident	59 Å²	59	26 Å²	26	36%	0.358	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.4	166.6	-176.9	0	0	0	0	108.4	D332 Q334 I379	V275-D332 HydrophobicContact CG1-CB 3.89Å; V275-Q334 HydrophobicContact CG2-CG 4.45Å; V275-I379 HydrophobicContact CG1-CD1 4.42Å; V275-I379 HydrophobicContact CG1-CG2 4.05Å; V275-I379 HydrophobicContact CG2-CG2 3.62Å
276	E	85.9	Confident	89.5	Confident	78 Å²	78	26 Å²	26	36%	0.364	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.1	-178.3	-64.7	-165.7	155.5	0	0	110.9	P274 V278 T333	P274-E276 HydrophobicContact CG-CG 4.28Å; E276-V278 PolarHBondContact O-N 3.29Å; E276-T333 PolarHBondContact N-O 2.88Å; E276-T333 PolarHBondContact O-N 2.89Å; E276-T333 PolarHBondContact O-OG1 3.19Å
277	P	88.2	Confident	89.7	Confident	87 Å²	87	27.8 Å²	27.8	57%	0.565	15%	0.154	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.2	178.3	28.2	-33.4	0	0	0	111.5	D332	P277-D332 WeakPolarHBondContact CB-OD1 3.41Å
278	V	86.5	Confident	89.8	Confident	20 Å²	20	36.5 Å²	36.5	12%	0.121	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.5	-179.6	-179.7	0	0	0	0	110.3	E276 H280 I331 T333	E276-V278 PolarHBondContact O-N 3.29Å; V278-H280 VanDerWaalsContact CG1-CE1 3.49Å; V278-H280 WeakPolarHBondContact CG1-CE1 3.22Å; V278-H280 PolarHBondContact O-N 3.24Å; V278-H280 PolarHBondContact O-ND1 3.36Å; V278-I331 PolarHBondContact N-O 3.05Å; V278-I331 PolarHBondContact O-N 2.77Å; V278-T333 HydrophobicContact CB-CG2 4.05Å; V278-T333 HydrophobicContact CG2-CG2 3.76Å; V278-T333 WeakPolarHBondContact CG2-OG1 3.38Å
279	C	87.5	Confident	90	Very high	28 Å²	28	38.1 Å²	38.1	19%	0.189	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	108.2	174.3	-169.4	0	0	0	0	110.5	R281 L297 T330	C279-R281 PolarHBondContact SG-O 2.77Å; C279-L297 HydrophobicContact CB-CD1 4.31Å; C279-L297 WeakPolarHBondContact O-CB 3.38Å; C279-T330 HydrophobicContact CB-CG2 4.23Å
280	H	84.5	Confident	90	Very high	20 Å²	20	45.1 Å²	45.1	9%	0.093	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-26.5	-179.7	-75	77.4	0	0	0	112.8	V278 I296 L297 D299 L329 I331	V278-H280 VanDerWaalsContact CG1-CE1 3.49Å; V278-H280 WeakPolarHBondContact CG1-CE1 3.22Å; V278-H280 PolarHBondContact O-N 3.24Å; V278-H280 PolarHBondContact O-ND1 3.36Å; H280-I296 CarbonylContact O-C 3.43Å; H280-I296 WeakPolarHBondContact O-CA 3.21Å; H280-L297 PolarHBondContact O-N 2.98Å; H280-D299 IonicContact CD2-OD1 2.67Å; H280-D299 IonicContact NE2-OD1 2.76Å; H280-L329 PolarHBondContact N-O 3.05Å; H280-I331 HydrophobicContact CB-CD1 4.24Å
281	R	88.6	Confident	89.9	Confident	33 Å²	33	48.8 Å²	48.8	13%	0.125	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.1	168.9	-67.6	169.2	39.8	158.6	-3.3	109.1	C279 V294 L295 I296 D327 T328 L329	C279-R281 PolarHBondContact SG-O 2.77Å; R281-V294 HydrophobicContact CB-CG1 4.15Å; R281-L295 CarbonylContact C-O 3.55Å; R281-L295 WeakPolarHBondContact CA-O 3.2Å; R281-I296 HydrophobicContact CG-CG1 4.29Å; R281-D327 IonicContact CZ-OD1 3.26Å; R281-D327 PolarHBondContact NE-O 2.97Å; R281-D327 VanDerWaalsContact NE-O 3.13Å; R281-D327 PolarHBondContact NH2-O 2.84Å; R281-D327 IonicContact NH2-OD1 2.86Å; R281-D327 PolarHBondContact NH2-OD1 3.12Å; R281-T328 CarbonylContact O-C 3.52Å; R281-T328 VanDerWaalsContact O-CA 3.27Å; R281-T328 WeakPolarHBondContact O-CA 3.29Å; R281-T328 WeakPolarHBondContact O-CG2 3.37Å; R281-L329 HydrophobicContact CB-CB 3.92Å; R281-L329 HydrophobicContact CG-CB 4.36Å; R281-L329 PolarHBondContact N-O 3.22Å; R281-L329 PolarHBondContact O-N 2.84Å
282	L	89.7	Confident	89.9	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.2	176.1	-177	54.7	0	0	0	110.8	F284 L295 L297 Y303 P321 L323 T328	L282-F284 HydrophobicContact CB-CE2 4.04Å; L282-F284 HydrophobicContact CD2-CE1 4.31Å; L282-F284 HydrophobicContact CD2-CE2 3.89Å; L282-F284 HydrophobicContact CD2-CZ 3.62Å; L282-F284 HydrophobicContact CG-CD2 4.35Å; L282-F284 HydrophobicContact CG-CE2 3.83Å; L282-F284 HydrophobicContact CG-CZ 4.03Å; L282-L295 PolarHBondContact N-O 2.74Å; L282-L295 PolarHBondContact O-N 2.98Å; L282-L297 HydrophobicContact CB-CD1 3.95Å; L282-L297 HydrophobicContact CB-CG 4.37Å; L282-L297 HydrophobicContact CD2-CD1 4.22Å; L282-Y303 HydrophobicContact CD2-CD2 3.89Å; L282-Y303 HydrophobicContact CD2-CE2 3.61Å; L282-P321 HydrophobicContact CD1-CB 4.24Å; L282-P321 HydrophobicContact CD2-CB 3.92Å; L282-P321 HydrophobicContact CG-CB 4.3Å; L282-L323 HydrophobicContact CD1-CD2 4.11Å; L282-T328 HydrophobicContact CD1-CG2 3.71Å
283	V	91.7	Very high	89.8	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.6	174.7	-176.5	0	0	0	0	109.8	K292 V294 L322 H325 D327 T328	V283-K292 HydrophobicContact CG1-CB 4.14Å; V283-K292 HydrophobicContact CG1-CG 4.45Å; V283-V294 HydrophobicContact CG2-CG1 4.47Å; V283-V294 HydrophobicContact CG2-CG2 4.18Å; V283-L322 HydrophobicContact CB-CB 4.18Å; V283-L322 HydrophobicContact CG1-CB 4.27Å; V283-L322 HydrophobicContact CG1-CD1 3.98Å; V283-L322 HydrophobicContact CG1-CG 4.39Å; V283-L322 PolarHBondContact O-N 3.12Å; V283-H325 HydrophobicContact CB-CB 3.95Å; V283-H325 HydrophobicContact CG1-CB 4.33Å; V283-H325 HydrophobicContact CG2-CB 3.81Å; V283-D327 HydrophobicContact CG2-CB 3.48Å; V283-D327 VanDerWaalsContact CG2-CB 3.48Å; V283-T328 WeakPolarHBondContact CG2-OG1 3.48Å; V283-T328 PolarHBondContact N-OG1 2.99Å; V283-T328 VanDerWaalsContact N-OG1 3.13Å
284	F	91.9	Very high	89.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.1	177.7	-77.1	-80.4	0	0	0	110.4	L282 K292 Q293 L295 Y303 A304 T305 P306 F319 E320 P321	L282-F284 HydrophobicContact CB-CE2 4.04Å; L282-F284 HydrophobicContact CD2-CE1 4.31Å; L282-F284 HydrophobicContact CD2-CE2 3.89Å; L282-F284 HydrophobicContact CD2-CZ 3.62Å; L282-F284 HydrophobicContact CG-CD2 4.35Å; L282-F284 HydrophobicContact CG-CE2 3.83Å; L282-F284 HydrophobicContact CG-CZ 4.03Å; F284-K292 CarbonylContact O-C 3.58Å; F284-K292 WeakPolarHBondContact O-CA 3.4Å; F284-Q293 HydrophobicContact CB-CG 4.14Å; F284-Q293 PolarHBondContact N-O 3.42Å; F284-Q293 PolarHBondContact O-N 3.5Å; F284-L295 HydrophobicContact CD2-CB 4.14Å; F284-L295 HydrophobicContact CD2-CD1 3.97Å; F284-L295 HydrophobicContact CD2-CG 3.91Å; F284-L295 HydrophobicContact CE2-CB 4.06Å; F284-L295 HydrophobicContact CE2-CD1 3.8Å; F284-L295 HydrophobicContact CE2-CG 4.09Å; F284-Y303 HydrophobicContact CE1-CE2 4.1Å; F284-Y303 AromaticContact CZ-CE2 3.87Å; F284-Y303 HydrophobicContact CZ-CE2 3.87Å; F284-A304 WeakPolarHBondContact CZ-O 3.3Å; F284-T305 HydrophobicContact CE1-CG2 3.93Å; F284-T305 HydrophobicContact CZ-CG2 4.37Å; F284-P306 HydrophobicContact CB-CG 3.63Å; F284-P306 HydrophobicContact CD1-CG 4.19Å; F284-P306 HydrophobicContact CD2-CG 3.85Å; F284-P306 VanDerWaalsContact CG-CD 3.5Å; F284-P306 HydrophobicContact CG-CG 3.62Å; F284-F319 HydrophobicContact CB-CB 4.2Å; F284-F319 HydrophobicContact CD1-CB 3.98Å; F284-F319 HydrophobicContact CG-CB 4.49Å; F284-E320 WeakPolarHBondContact CA-O 3.45Å; F284-P321 HydrophobicContact CD1-CB 4.26Å; F284-P321 HydrophobicContact CE1-CB 3.91Å
285	E	93.9	Very high	89.8	Confident	50 Å²	50	52.1 Å²	52.1	23%	0.234	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.3	174.7	-164.2	168.5	120.7	0	0	111.2	C287 E290 K292 F319 E320 L322	E285-C287 PolarHBondContact O-N 3.23Å; E285-E290 WeakPolarHBondContact CG-O 3.19Å; E285-K292 HydrophobicContact CB-CG 4.35Å; E285-K292 HydrophobicContact CG-CG 4.09Å; E285-K292 WeakPolarHBondContact OE2-CE 3.43Å; E285-K292 IonicContact OE2-NZ 3.77Å; E285-F319 CarbonylContact O-C 3.58Å; E285-F319 WeakPolarHBondContact O-CA 3.41Å; E285-E320 PolarHBondContact N-O 3.27Å; E285-E320 PolarHBondContact O-N 3.08Å; E285-L322 HydrophobicContact CB-CD1 4.1Å; E285-L322 HydrophobicContact CB-CD2 4.15Å; E285-L322 HydrophobicContact CB-CG 4.08Å; E285-L322 WeakPolarHBondContact OE2-CD1 3.47Å
286	C	94.4	Very high	89.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	110.4	176.9	175.8	0	0	0	0	111.5	R288 C289 E290 M291 C309 C314 S316 F319	C286-R288 PolarHBondContact O-N 2.88Å; C286-C289 PolarHBondContact O-N 2.92Å; C286-E290 WeakPolarHBondContact O-CA 3.19Å; C286-E290 PolarHBondContact O-N 3.14Å; C286-M291 HydrophobicContact CB-CB 4.43Å; C286-M291 WeakPolarHBondContact CB-O 3.42Å; C286-M291 PolarHBondContact N-O 2.96Å; C286-C309 VanDerWaalsContact SG-SG 3.64Å; C286-C314 VanDerWaalsContact SG-SG 3.66Å; C286-S316 WeakPolarHBondContact SG-CB 3.35Å; C286-F319 HydrophobicContact CB-CD1 4.07Å; C286-F319 HydrophobicContact CB-CE1 3.94Å
287	C	92.9	Very high	89.6	Confident	69 Å²	69	46.9 Å²	46.9	47%	0.466	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	25.8	-177.2	-34.1	0	0	0	0	115.6	E285 S318	E285-C287 PolarHBondContact O-N 3.23Å; C287-S318 PolarHBondContact N-O 3.47Å; C287-S318 PolarHBondContact SG-O 2.79Å
288	R	91	Very high	89	Confident	184 Å²	184	43.6 Å²	43.6	69%	0.694	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-148.7	-10.1	-175.9	-146.6	-174.2	-169.3	-162.5	1.7	114.6	C286	C286-R288 PolarHBondContact O-N 2.88Å
289	C	93.3	Very high	88.2	Confident	52 Å²	52	45.6 Å²	45.6	35%	0.351	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-158.2	15.3	176.3	73.1	0	0	0	0	112.6	C286 M291 C314	C286-C289 PolarHBondContact O-N 2.92Å; C289-M291 PolarHBondContact O-N 2.96Å; C289-C314 HydrophobicContact CB-CB 4.35Å; C289-C314 PolarHBondContact SG-SG 3.27Å
290	E	91.5	Very high	87.3	Confident	146 Å²	146	48 Å²	48	68%	0.682	24%	0.235	S	C	*	.			trans	52.4	7.7	177	-68.8	141.1	-137.4	0	0	116.5	E285 C286 K292	E285-E290 WeakPolarHBondContact CG-O 3.19Å; C286-E290 WeakPolarHBondContact O-CA 3.19Å; C286-E290 PolarHBondContact O-N 3.14Å; E290-K292 PolarHBondContact O-N 3.45Å
291	M	89.9	Confident	86.5	Confident	95 Å²	95	48.9 Å²	48.9	47%	0.468	25%	0.25	S	S	.	.			trans	-66.5	120.4	178.9	-169.5	70.5	169.3	0	0	110.4	C286 C289 P310 T311	C286-M291 HydrophobicContact CB-CB 4.43Å; C286-M291 WeakPolarHBondContact CB-O 3.42Å; C286-M291 PolarHBondContact N-O 2.96Å; C289-M291 PolarHBondContact O-N 2.96Å; M291-P310 HydrophobicContact CG-CG 4.17Å; M291-T311 WeakPolarHBondContact CB-OG1 3.49Å; M291-T311 VanDerWaalsContact CG-OG1 3.28Å; M291-T311 WeakPolarHBondContact CG-OG1 3.42Å
292	K	90.4	Very high	85.8	Confident	99 Å²	99	51.4 Å²	51.4	43%	0.43	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	140.9	177.5	-63.4	173.3	-177.3	177.6	0	110.6	V283 F284 E285 E290 L322 H325	V283-K292 HydrophobicContact CG1-CB 4.14Å; V283-K292 HydrophobicContact CG1-CG 4.45Å; F284-K292 CarbonylContact O-C 3.58Å; F284-K292 WeakPolarHBondContact O-CA 3.4Å; E285-K292 HydrophobicContact CB-CG 4.35Å; E285-K292 HydrophobicContact CG-CG 4.09Å; E285-K292 WeakPolarHBondContact OE2-CE 3.43Å; E285-K292 IonicContact OE2-NZ 3.77Å; E290-K292 PolarHBondContact O-N 3.45Å; K292-L322 HydrophobicContact CD-CD1 3.95Å; K292-L322 HydrophobicContact CG-CD1 4.21Å; K292-H325 PolarHBondContact NZ-NE2 3.48Å
293	Q	89.1	Confident	85.4	Confident	33 Å²	33	57.4 Å²	57.4	15%	0.154	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.9	171.7	61.5	-177.8	-43	0	0	110.2	F284 P306 K308 P310	F284-Q293 HydrophobicContact CB-CG 4.14Å; F284-Q293 PolarHBondContact N-O 3.42Å; F284-Q293 PolarHBondContact O-N 3.5Å; Q293-P306 HydrophobicContact CG-CG 4.09Å; Q293-K308 PolarHBondContact NE2-O 3.47Å; Q293-K308 VanDerWaalsContact NE2-O 3.17Å; Q293-P310 HydrophobicContact CB-CG 4.26Å
294	V	88	Confident	84.8	Confident	25 Å²	25	59.1 Å²	59.1	15%	0.152	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.2	178.3	-165.1	0	0	0	0	109.1	L77 R281 V283 D327	L77-V294 HydrophobicContact CB-CB 3.86Å; L77-V294 HydrophobicContact CB-CG1 4.34Å; L77-V294 HydrophobicContact CD2-CB 3.87Å; L77-V294 HydrophobicContact CD2-CG1 4.21Å; L77-V294 HydrophobicContact CD2-CG2 3.94Å; L77-V294 PolarHBondContact N-O 3.2Å; R281-V294 HydrophobicContact CB-CG1 4.15Å; V283-V294 HydrophobicContact CG2-CG1 4.47Å; V283-V294 HydrophobicContact CG2-CG2 4.18Å; V294-D327 HydrophobicContact CG2-CB 4.18Å
295	L	88.7	Confident	84.4	Confident	13 Å²	13	62.9 Å²	62.9	7%	0.068	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.9	165.7	-67	-170.9	0	0	0	110.1	A74 L75 P76 R281 L282 F284 P306	A74-L295 HydrophobicContact CB-CD1 4.39Å; L75-L295 WeakPolarHBondContact O-CA 3.31Å; P76-L295 HydrophobicContact CB-CD2 4.43Å; R281-L295 CarbonylContact C-O 3.55Å; R281-L295 WeakPolarHBondContact CA-O 3.2Å; L282-L295 PolarHBondContact N-O 2.74Å; L282-L295 PolarHBondContact O-N 2.98Å; F284-L295 HydrophobicContact CD2-CB 4.14Å; F284-L295 HydrophobicContact CD2-CD1 3.97Å; F284-L295 HydrophobicContact CD2-CG 3.91Å; F284-L295 HydrophobicContact CE2-CB 4.06Å; F284-L295 HydrophobicContact CE2-CD1 3.8Å; F284-L295 HydrophobicContact CE2-CG 4.09Å; L295-P306 HydrophobicContact CD1-CB 4.27Å; L295-P306 HydrophobicContact CD1-CG 3.76Å; L295-P306 HydrophobicContact CG-CG 4.15Å
296	I	86	Confident	84.1	Confident	21 Å²	21	61 Å²	61	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.4	167.7	-57.5	163.4	0	0	0	105.9	A74 L75 L77 P94 T95 H280 R281	A74-I296 CarbonylContact C-O 3.59Å; A74-I296 WeakPolarHBondContact CA-O 3.39Å; A74-I296 VanDerWaalsContact CB-O 3.32Å; A74-I296 WeakPolarHBondContact CB-O 3.22Å; L75-I296 PolarHBondContact N-O 2.86Å; L75-I296 PolarHBondContact O-N 2.84Å; L77-I296 HydrophobicContact CB-CD1 4.47Å; L77-I296 HydrophobicContact CD1-CD1 4.11Å; L77-I296 HydrophobicContact CD1-CG1 4.45Å; P94-I296 VanDerWaalsContact C-CD1 3.42Å; P94-I296 HydrophobicContact CB-CD1 3.61Å; P94-I296 HydrophobicContact CB-CG1 4.41Å; P94-I296 HydrophobicContact CG-CD1 4.02Å; P94-I296 WeakPolarHBondContact O-CD1 2.87Å; T95-I296 HydrophobicContact CG2-CB 4.44Å; T95-I296 HydrophobicContact CG2-CD1 3.5Å; T95-I296 VanDerWaalsContact CG2-CD1 3.5Å; T95-I296 HydrophobicContact CG2-CG2 4.31Å; H280-I296 CarbonylContact O-C 3.43Å; H280-I296 WeakPolarHBondContact O-CA 3.21Å; R281-I296 HydrophobicContact CG-CG1 4.29Å
297	L	84.2	Confident	83.7	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.031	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-90	148.9	179.3	-59.5	-178.8	0	0	0	109.4	A74 C279 H280 L282	A74-L297 HydrophobicContact CB-CD2 3.84Å; C279-L297 HydrophobicContact CB-CD1 4.31Å; C279-L297 WeakPolarHBondContact O-CB 3.38Å; H280-L297 PolarHBondContact O-N 2.98Å; L282-L297 HydrophobicContact CB-CD1 3.95Å; L282-L297 HydrophobicContact CB-CG 4.37Å; L282-L297 HydrophobicContact CD2-CD1 4.22Å
298	P	74.4	Confident	83.5	Confident	17 Å²	17	69 Å²	69	11%	0.11	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-70.1	148.1	178.4	29.1	-35.3	0	0	0	112.2	N300 G301 N302	P298-N300 WeakPolarHBondContact CG-OD1 3.35Å; P298-N300 PolarHBondContact O-N 2.89Å; P298-G301 PolarHBondContact O-N 3.13Å; P298-N302 HydrophobicContact CG-CB 4.12Å
299	D	69.6	Low	83.4	Confident	62 Å²	62	61 Å²	61	33%	0.332	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	14.9	-174	-34	-25	0	0	0	115.6	H280 R373	H280-D299 IonicContact CD2-OD1 2.67Å; H280-D299 IonicContact NE2-OD1 2.76Å; D299-R373 PolarHBondContact O-NH1 2.74Å
300	N	69	Low	82.9	Confident	78 Å²	78	61.9 Å²	61.9	42%	0.417	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	12.5	169.7	61.7	15.2	0	0	0	112.7	P298 N302	P298-N300 WeakPolarHBondContact CG-OD1 3.35Å; P298-N300 PolarHBondContact O-N 2.89Å; N300-N302 VanDerWaalsContact CG-ND2 3.26Å; N300-N302 PolarHBondContact ND2-ND2 2.92Å; N300-N302 PolarHBondContact O-N 2.91Å; N300-N302 WeakPolarHBondContact OD1-CB 3.42Å; N300-N302 PolarHBondContact OD1-N 3.32Å; N300-N302 PolarHBondContact OD1-ND2 2.91Å
301	G	68.6	Low	82.7	Confident	40 Å²	40	57.2 Å²	57.2	41%	0.412	32%	0.316	S	S	.	.			trans	72	7.1	173.9	0	0	0	0	0	115.2	P298 Y303	P298-G301 PolarHBondContact O-N 3.13Å; G301-Y303 PolarHBondContact O-N 2.78Å
302	N	74.2	Confident	82.4	Confident	86 Å²	86	62.3 Å²	62.3	46%	0.46	34%	0.336	S	S	.	.			trans	-67	103.9	-178.2	-81.1	-41.8	0	0	0	111.7	P298 N300 A304	P298-N302 HydrophobicContact CG-CB 4.12Å; N300-N302 VanDerWaalsContact CG-ND2 3.26Å; N300-N302 PolarHBondContact ND2-ND2 2.92Å; N300-N302 PolarHBondContact O-N 2.91Å; N300-N302 WeakPolarHBondContact OD1-CB 3.42Å; N300-N302 PolarHBondContact OD1-N 3.32Å; N300-N302 PolarHBondContact OD1-ND2 2.91Å; N302-A304 PolarHBondContact O-N 3.04Å
303	Y	79.7	Confident	82.2	Confident	128 Å²	128	64.7 Å²	64.7	50%	0.502	35%	0.353	S	S	.	.			trans	-59.6	125	172.9	178	-95.3	0	0	0	111.6	L282 F284 G301 T305 P321	L282-Y303 HydrophobicContact CD2-CD2 3.89Å; L282-Y303 HydrophobicContact CD2-CE2 3.61Å; F284-Y303 HydrophobicContact CE1-CE2 4.1Å; F284-Y303 AromaticContact CZ-CE2 3.87Å; F284-Y303 HydrophobicContact CZ-CE2 3.87Å; G301-Y303 PolarHBondContact O-N 2.78Å; Y303-T305 HydrophobicContact CE1-CG2 3.61Å; Y303-P321 HydrophobicContact CE2-CB 4.21Å; Y303-P321 HydrophobicContact CE2-CG 4.45Å
304	A	79.9	Confident	82.1	Confident	37 Å²	37	64.1 Å²	64.1	31%	0.306	35%	0.352	S	S	.	.			trans	-138.1	133	176.2	0	0	0	0	0	110.3	A74 F284 N302	A74-A304 HydrophobicContact CB-CB 3.83Å; F284-A304 WeakPolarHBondContact CZ-O 3.3Å; N302-A304 PolarHBondContact O-N 3.04Å
305	T	84.6	Confident	82.1	Confident	80 Å²	80	73.7 Å²	73.7	49%	0.491	39%	0.386	S	S	.	.			trans	-89.6	156.2	180	52.4	0	0	0	0	112.2	F284 Y303	F284-T305 HydrophobicContact CE1-CG2 3.93Å; F284-T305 HydrophobicContact CZ-CG2 4.37Å; Y303-T305 HydrophobicContact CE1-CG2 3.61Å
306	P	86	Confident	82.1	Confident	9 Å²	9	73.4 Å²	73.4	6%	0.058	39%	0.385	C	S	.	.			trans	-62.6	145.5	172.5	-16	27	0	0	0	111.8	F284 Q293 L295 F319	F284-P306 HydrophobicContact CB-CG 3.63Å; F284-P306 HydrophobicContact CD1-CG 4.19Å; F284-P306 HydrophobicContact CD2-CG 3.85Å; F284-P306 VanDerWaalsContact CG-CD 3.5Å; F284-P306 HydrophobicContact CG-CG 3.62Å; Q293-P306 HydrophobicContact CG-CG 4.09Å; L295-P306 HydrophobicContact CD1-CB 4.27Å; L295-P306 HydrophobicContact CD1-CG 3.76Å; L295-P306 HydrophobicContact CG-CG 4.15Å; P306-F319 HydrophobicContact CB-CD1 4.43Å; P306-F319 HydrophobicContact CB-CD2 3.76Å; P306-F319 HydrophobicContact CB-CE2 3.83Å; P306-F319 HydrophobicContact CB-CG 4.1Å; P306-F319 HydrophobicContact CB-CZ 4.25Å; P306-F319 HydrophobicContact CG-CB 4.25Å; P306-F319 HydrophobicContact CG-CD1 4.28Å; P306-F319 HydrophobicContact CG-CD2 3.94Å; P306-F319 HydrophobicContact CG-CE2 4.48Å; P306-F319 HydrophobicContact CG-CG 3.86Å; P306-F319 WeakPolarHBondContact O-CD2 3.39Å; P306-F319 WeakPolarHBondContact O-CE2 3.46Å
307	S	86.6	Confident	82.2	Confident	91 Å²	91	82.1 Å²	82.1	64%	0.636	42%	0.416	S	S	*	.	S	Bend	trans	-89	-19	179.4	63.9	0	0	0	0	114.2
308	K	88.1	Confident	82.6	Confident	147 Å²	147	84.7 Å²	84.7	64%	0.639	44%	0.435	S	S	*	.	S	Bend	trans	-152.7	158.2	-176.6	-59.9	179.2	-171.3	170.2	0	109.7	Q293 F319	Q293-K308 PolarHBondContact NE2-O 3.47Å; Q293-K308 VanDerWaalsContact NE2-O 3.17Å; K308-F319 WeakPolarHBondContact O-CZ 3.49Å
309	C	88.8	Confident	83.4	Confident	15 Å²	15	85 Å²	85	10%	0.101	43%	0.434	C	S	.	.			trans	-82	143.9	169.4	-172.8	0	0	0	0	109.8	C286 T311 C314 S316 F319	C286-C309 VanDerWaalsContact SG-SG 3.64Å; C309-T311 PolarHBondContact SG-OG1 3.2Å; C309-C314 HydrophobicContact CB-CB 4.12Å; C309-C314 WeakPolarHBondContact CB-O 3.43Å; C309-S316 PolarHBondContact N-O 2.8Å; C309-F319 HydrophobicContact CB-CE1 4.12Å; C309-F319 HydrophobicContact CB-CZ 4.26Å
310	P	84.3	Confident	84.5	Confident	72 Å²	72	88.1 Å²	88.1	47%	0.468	45%	0.447	S	S	.	.	S	Bend	trans	-74.5	-21.6	176	29.3	-36.6	0	0	0	113.7	M291 Q293 K312	M291-P310 HydrophobicContact CG-CG 4.17Å; Q293-P310 HydrophobicContact CB-CG 4.26Å; P310-K312 PolarHBondContact O-N 2.84Å
311	T	87	Confident	85.6	Confident	48 Å²	48	86.4 Å²	86.4	29%	0.294	44%	0.44	S	S	.	.	S	Bend	trans	-67.2	122	179.4	-41.3	0	0	0	0	110.3	M291 C309 D313 C314	M291-T311 WeakPolarHBondContact CB-OG1 3.49Å; M291-T311 VanDerWaalsContact CG-OG1 3.28Å; M291-T311 WeakPolarHBondContact CG-OG1 3.42Å; C309-T311 PolarHBondContact SG-OG1 3.2Å; T311-D313 PolarHBondContact O-N 2.8Å; T311-C314 PolarHBondContact O-N 3.42Å
312	K	82.4	Confident	86.7	Confident	202 Å²	202	86.4 Å²	86.4	88%	0.878	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-39.3	-171.5	-69.6	178.1	178.7	175	0	114	P310	P310-K312 PolarHBondContact O-N 2.84Å
313	D	86.4	Confident	87.3	Confident	149 Å²	149	88 Å²	88	80%	0.797	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.2	-175.9	-50.8	-72.6	0	0	0	113.3	T311 R315	T311-D313 PolarHBondContact O-N 2.8Å; D313-R315 PolarHBondContact O-N 3.26Å
314	C	87.4	Confident	87.7	Confident	20 Å²	20	89.7 Å²	89.7	14%	0.135	46%	0.456	C	S	.	.			trans	-90	104.5	-176.3	-170.6	0	0	0	0	112.5	C286 C289 C309 T311 S316	C286-C314 VanDerWaalsContact SG-SG 3.66Å; C289-C314 HydrophobicContact CB-CB 4.35Å; C289-C314 PolarHBondContact SG-SG 3.27Å; C309-C314 HydrophobicContact CB-CB 4.12Å; C309-C314 WeakPolarHBondContact CB-O 3.43Å; T311-C314 PolarHBondContact O-N 3.42Å; C314-S316 PolarHBondContact O-N 3.21Å; C314-S316 VanDerWaalsContact O-N 3.13Å; C314-S316 VanDerWaalsContact SG-CB 3.55Å
315	R	88.6	Confident	88.2	Confident	227 Å²	227	90 Å²	90	86%	0.857	45%	0.451	S	S	*	.			trans	-82.5	26.5	176	-58.3	-176.2	-177.5	178.3	1.4	114.1	D313	D313-R315 PolarHBondContact O-N 3.26Å
316	S	87.7	Confident	88.2	Confident	6 Å²	6	92 Å²	92	4%	0.042	47%	0.465	C	S	.	.			trans	-69.4	151.3	-180	-170.2	0	0	0	0	112.8	C286 C309 C314 S318	C286-S316 WeakPolarHBondContact SG-CB 3.35Å; C309-S316 PolarHBondContact N-O 2.8Å; C314-S316 PolarHBondContact O-N 3.21Å; C314-S316 VanDerWaalsContact O-N 3.13Å; C314-S316 VanDerWaalsContact SG-CB 3.55Å; S316-S318 PolarHBondContact OG-N 2.77Å; S316-S318 PolarHBondContact OG-O 3.41Å; S316-S318 PolarHBondContact OG-OG 3.41Å
317	R	89.6	Confident	88.1	Confident	204 Å²	204	94.7 Å²	94.7	77%	0.77	48%	0.479	S	S	*	.			trans	-131.8	6.4	167.3	-57.8	-170.5	-172.9	173.6	1.7	112.9
318	S	91.3	Very high	88.2	Confident	60 Å²	60	91.5 Å²	91.5	42%	0.42	46%	0.456	S	S	.	.			trans	-99.5	126.5	174.3	51.5	0	0	0	0	108.9	C287 S316	C287-S318 PolarHBondContact N-O 3.47Å; C287-S318 PolarHBondContact SG-O 2.79Å; S316-S318 PolarHBondContact OG-N 2.77Å; S316-S318 PolarHBondContact OG-O 3.41Å; S316-S318 PolarHBondContact OG-OG 3.41Å
319	F	92	Very high	88.2	Confident	24 Å²	24	88.2 Å²	88.2	11%	0.105	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.5	-178.9	-53.9	-76.3	0	0	0	110.5	F284 E285 C286 P306 K308 C309	F284-F319 HydrophobicContact CB-CB 4.2Å; F284-F319 HydrophobicContact CD1-CB 3.98Å; F284-F319 HydrophobicContact CG-CB 4.49Å; E285-F319 CarbonylContact O-C 3.58Å; E285-F319 WeakPolarHBondContact O-CA 3.41Å; C286-F319 HydrophobicContact CB-CD1 4.07Å; C286-F319 HydrophobicContact CB-CE1 3.94Å; P306-F319 HydrophobicContact CB-CD1 4.43Å; P306-F319 HydrophobicContact CB-CD2 3.76Å; P306-F319 HydrophobicContact CB-CE2 3.83Å; P306-F319 HydrophobicContact CB-CG 4.1Å; P306-F319 HydrophobicContact CB-CZ 4.25Å; P306-F319 HydrophobicContact CG-CB 4.25Å; P306-F319 HydrophobicContact CG-CD1 4.28Å; P306-F319 HydrophobicContact CG-CD2 3.94Å; P306-F319 HydrophobicContact CG-CE2 4.48Å; P306-F319 HydrophobicContact CG-CG 3.86Å; P306-F319 WeakPolarHBondContact O-CD2 3.39Å; P306-F319 WeakPolarHBondContact O-CE2 3.46Å; K308-F319 WeakPolarHBondContact O-CZ 3.49Å; C309-F319 HydrophobicContact CB-CE1 4.12Å; C309-F319 HydrophobicContact CB-CZ 4.26Å
320	E	91.9	Very high	88.2	Confident	127 Å²	127	91.4 Å²	91.4	59%	0.593	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	129	178.5	-169.6	160.4	177.3	0	0	109.9	F284 E285 L322	F284-E320 WeakPolarHBondContact CA-O 3.45Å; E285-E320 PolarHBondContact N-O 3.27Å; E285-E320 PolarHBondContact O-N 3.08Å; E320-L322 PolarHBondContact O-N 2.76Å
321	P	92	Very high	88.5	Confident	42 Å²	42	88.7 Å²	88.7	27%	0.273	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.9	-178.7	30.6	-34	0	0	0	111.4	L282 F284 Y303 L323	L282-P321 HydrophobicContact CD1-CB 4.24Å; L282-P321 HydrophobicContact CD2-CB 3.92Å; L282-P321 HydrophobicContact CG-CB 4.3Å; F284-P321 HydrophobicContact CD1-CB 4.26Å; F284-P321 HydrophobicContact CE1-CB 3.91Å; Y303-P321 HydrophobicContact CE2-CB 4.21Å; Y303-P321 HydrophobicContact CE2-CG 4.45Å; P321-L323 PolarHBondContact O-N 2.94Å; P321-L323 VanDerWaalsContact O-N 3.11Å
322	L	91.4	Very high	88.7	Confident	40 Å²	40	90.1 Å²	90.1	21%	0.209	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	83.5	176.6	-56.3	-173.8	0	0	0	110.6	V283 E285 K292 E320 N324 H325 T328	V283-L322 HydrophobicContact CB-CB 4.18Å; V283-L322 HydrophobicContact CG1-CB 4.27Å; V283-L322 HydrophobicContact CG1-CD1 3.98Å; V283-L322 HydrophobicContact CG1-CG 4.39Å; V283-L322 PolarHBondContact O-N 3.12Å; E285-L322 HydrophobicContact CB-CD1 4.1Å; E285-L322 HydrophobicContact CB-CD2 4.15Å; E285-L322 HydrophobicContact CB-CG 4.08Å; E285-L322 WeakPolarHBondContact OE2-CD1 3.47Å; K292-L322 HydrophobicContact CD-CD1 3.95Å; K292-L322 HydrophobicContact CG-CD1 4.21Å; E320-L322 PolarHBondContact O-N 2.76Å; L322-N324 PolarHBondContact O-N 2.74Å; L322-H325 HydrophobicContact CB-CB 3.93Å; L322-H325 PolarHBondContact O-N 2.7Å; L322-T328 PolarHBondContact O-OG1 2.78Å
323	L	88.5	Confident	89.1	Confident	119 Å²	119	81 Å²	81	62%	0.623	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-37.2	-178.8	-58.6	178.8	0	0	0	112.9	L282 P321 T328	L282-L323 HydrophobicContact CD1-CD2 4.11Å; P321-L323 PolarHBondContact O-N 2.94Å; P321-L323 VanDerWaalsContact O-N 3.11Å; L323-T328 WeakPolarHBondContact O-CG2 3.3Å
324	N	87.6	Confident	89.3	Confident	164 Å²	164	74.1 Å²	74.1	88%	0.877	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	14.6	-174.1	-58.7	5.5	0	0	0	113.7	L322	L322-N324 PolarHBondContact O-N 2.74Å
325	H	90.2	Very high	89.5	Confident	43 Å²	43	76.3 Å²	76.3	20%	0.199	39%	0.385	C	S	.	.			trans	-79.9	141	179.9	-156.1	-91.4	0	0	0	111	V283 K292 L322 D327 T328	V283-H325 HydrophobicContact CB-CB 3.95Å; V283-H325 HydrophobicContact CG1-CB 4.33Å; V283-H325 HydrophobicContact CG2-CB 3.81Å; K292-H325 PolarHBondContact NZ-NE2 3.48Å; L322-H325 HydrophobicContact CB-CB 3.93Å; L322-H325 PolarHBondContact O-N 2.7Å; H325-D327 IonicContact CE1-OD2 3.24Å; H325-D327 IonicContact ND1-OD2 2.92Å; H325-D327 PolarHBondContact O-N 3.38Å; H325-T328 VanDerWaalsContact O-CB 3.31Å; H325-T328 WeakPolarHBondContact O-CB 3.49Å; H325-T328 PolarHBondContact O-N 2.91Å
326	P	84.5	Confident	89.7	Confident	122 Å²	122	65.6 Å²	65.6	79%	0.792	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.7	-179.5	24.3	-35.8	0	0	0	115.3
327	D	84.3	Confident	90	Very high	67 Å²	67	67 Å²	67	36%	0.358	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.1	173.8	-80.9	-69.5	0	0	0	114.1	R281 V283 V294 H325	R281-D327 IonicContact CZ-OD1 3.26Å; R281-D327 PolarHBondContact NE-O 2.97Å; R281-D327 VanDerWaalsContact NE-O 3.13Å; R281-D327 PolarHBondContact NH2-O 2.84Å; R281-D327 IonicContact NH2-OD1 2.86Å; R281-D327 PolarHBondContact NH2-OD1 3.12Å; V283-D327 HydrophobicContact CG2-CB 3.48Å; V283-D327 VanDerWaalsContact CG2-CB 3.48Å; V294-D327 HydrophobicContact CG2-CB 4.18Å; H325-D327 IonicContact CE1-OD2 3.24Å; H325-D327 IonicContact ND1-OD2 2.92Å; H325-D327 PolarHBondContact O-N 3.38Å
328	T	88	Confident	90.2	Very high	23 Å²	23	57.3 Å²	57.3	14%	0.141	32%	0.317	C	S	.	.			trans	-80.1	121.4	171.6	-66.8	0	0	0	0	107.6	R281 L282 V283 L322 L323 H325	R281-T328 CarbonylContact O-C 3.52Å; R281-T328 VanDerWaalsContact O-CA 3.27Å; R281-T328 WeakPolarHBondContact O-CA 3.29Å; R281-T328 WeakPolarHBondContact O-CG2 3.37Å; L282-T328 HydrophobicContact CD1-CG2 3.71Å; V283-T328 WeakPolarHBondContact CG2-OG1 3.48Å; V283-T328 PolarHBondContact N-OG1 2.99Å; V283-T328 VanDerWaalsContact N-OG1 3.13Å; L322-T328 PolarHBondContact O-OG1 2.78Å; L323-T328 WeakPolarHBondContact O-CG2 3.3Å; H325-T328 VanDerWaalsContact O-CB 3.31Å; H325-T328 WeakPolarHBondContact O-CB 3.49Å; H325-T328 PolarHBondContact O-N 2.91Å
329	L	88	Confident	90.2	Very high	78 Å²	78	56.5 Å²	56.5	41%	0.408	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	106.3	-174.2	-178.9	64.4	0	0	0	109.8	H280 R281 I331	H280-L329 PolarHBondContact N-O 3.05Å; R281-L329 HydrophobicContact CB-CB 3.92Å; R281-L329 HydrophobicContact CG-CB 4.36Å; R281-L329 PolarHBondContact N-O 3.22Å; R281-L329 PolarHBondContact O-N 2.84Å; L329-I331 HydrophobicContact CD1-CG1 4.47Å; L329-I331 HydrophobicContact CD2-CD1 4.07Å; L329-I331 HydrophobicContact CD2-CG1 4.3Å; L329-I331 HydrophobicContact CG-CD1 4.39Å; L329-I331 HydrophobicContact CG-CG1 4.13Å
330	T	90.1	Very high	89.8	Confident	83 Å²	83	56.4 Å²	56.4	51%	0.509	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.3	157.7	46.4	0	0	0	0	109.3	C279	C279-T330 HydrophobicContact CB-CG2 4.23Å
331	I	89.8	Confident	88.8	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.072	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.1	166.6	-71.7	160.9	0	0	0	105.5	V278 H280 L329 E375 R376	V278-I331 PolarHBondContact N-O 3.05Å; V278-I331 PolarHBondContact O-N 2.77Å; H280-I331 HydrophobicContact CB-CD1 4.24Å; L329-I331 HydrophobicContact CD1-CG1 4.47Å; L329-I331 HydrophobicContact CD2-CD1 4.07Å; L329-I331 HydrophobicContact CD2-CG1 4.3Å; L329-I331 HydrophobicContact CG-CD1 4.39Å; L329-I331 HydrophobicContact CG-CG1 4.13Å; I331-E375 HydrophobicContact CG2-CB 4.46Å; I331-R376 HydrophobicContact CG2-CG 3.79Å
332	D	91.8	Very high	87.4	Confident	78 Å²	78	52 Å²	52	42%	0.417	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	144.8	172.5	-58.6	-48.8	0	0	0	109.8	V275 P277 R376 I379	V275-D332 HydrophobicContact CG1-CB 3.89Å; P277-D332 WeakPolarHBondContact CB-OD1 3.41Å; D332-R376 PolarHBondContact O-N 3.38Å; D332-I379 HydrophobicContact CB-CD1 3.51Å; D332-I379 WeakPolarHBondContact O-CD1 3.5Å
333	T	89.9	Confident	85.6	Confident	11 Å²	11	52.6 Å²	52.6	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.1	178.7	67.6	0	0	0	0	109.9	E276 V278 L374 E375	E276-T333 PolarHBondContact N-O 2.88Å; E276-T333 PolarHBondContact O-N 2.89Å; E276-T333 PolarHBondContact O-OG1 3.19Å; V278-T333 HydrophobicContact CB-CG2 4.05Å; V278-T333 HydrophobicContact CG2-CG2 3.76Å; V278-T333 WeakPolarHBondContact CG2-OG1 3.38Å; T333-L374 WeakPolarHBondContact CA-O 3.5Å; T333-E375 HydrophobicContact CG2-CG 4.25Å
334	Q	90.2	Very high	83.7	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.023	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.5	178.7	-170.7	177.4	44.4	0	0	109.2	V275 V336 L374 I379 D380	V275-Q334 HydrophobicContact CG2-CG 4.45Å; Q334-V336 HydrophobicContact CG-CG2 4.3Å; Q334-L374 HydrophobicContact CB-CB 4.44Å; Q334-L374 PolarHBondContact N-O 2.68Å; Q334-L374 PolarHBondContact O-N 2.82Å; Q334-I379 HydrophobicContact CB-CG1 4.06Å; Q334-I379 HydrophobicContact CB-CG2 4.26Å; Q334-D380 PolarHBondContact NE2-OD1 2.94Å
335	I	91.6	Very high	81.7	Confident	66 Å²	66	45 Å²	45	34%	0.338	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.3	174	-60	-179.9	0	0	0	108.7	G273 A371 C372	G273-I335 WeakPolarHBondContact CA-O 3.25Å; G273-I335 PolarHBondContact N-O 2.85Å; I335-A371 HydrophobicContact CG2-CB 4.36Å; I335-C372 WeakPolarHBondContact CA-O 3.29Å
336	V	93.2	Very high	79.5	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.6	178.4	177.6	0	0	0	0	109.3	V269 R271 L272 Q334 I338 C372 L374	V269-V336 HydrophobicContact CG1-CG1 3.85Å; V269-V336 HydrophobicContact CG2-CG1 4.27Å; R271-V336 WeakPolarHBondContact O-CA 3.49Å; L272-V336 HydrophobicContact CD2-CB 4.29Å; L272-V336 HydrophobicContact CD2-CG1 3.91Å; L272-V336 HydrophobicContact CD2-CG2 3.51Å; Q334-V336 HydrophobicContact CG-CG2 4.3Å; V336-I338 HydrophobicContact CG1-CG2 4.48Å; V336-C372 PolarHBondContact N-O 2.96Å; V336-C372 WeakPolarHBondContact O-CB 3.3Å; V336-C372 PolarHBondContact O-N 3.15Å; V336-L374 HydrophobicContact CB-CD1 4.29Å; V336-L374 HydrophobicContact CG2-CD1 3.49Å; V336-L374 VanDerWaalsContact CG2-CD1 3.49Å; V336-L374 HydrophobicContact CG2-CG 3.99Å
337	T	94.7	Very high	77.2	Confident	35 Å²	35	49.2 Å²	49.2	22%	0.215	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.9	176.5	-55.4	0	0	0	0	109.6	V270 R271 C369 L370	V270-T337 PolarHBondContact N-O 3.3Å; R271-T337 PolarHBondContact N-O 2.83Å; R271-T337 PolarHBondContact O-N 2.83Å; T337-C369 HydrophobicContact CG2-CB 3.9Å; T337-L370 WeakPolarHBondContact CA-O 2.96Å
338	I	93.8	Very high	74.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	155.6	171.1	62.9	164.8	0	0	0	111.4	L251 V265 I268 V269 V336 C369 L370 L388 L390	L251-I338 HydrophobicContact CD1-CD1 4.18Å; L251-I338 HydrophobicContact CD1-CG1 4.23Å; L251-I338 HydrophobicContact CD2-CD1 4.23Å; V265-I338 HydrophobicContact CG2-CD1 3.77Å; I268-I338 CarbonylContact O-C 3.52Å; I268-I338 WeakPolarHBondContact O-CA 3.37Å; V269-I338 HydrophobicContact CG2-CG2 4.45Å; V336-I338 HydrophobicContact CG1-CG2 4.48Å; I338-C369 CarbonylContact O-C 3.57Å; I338-C369 WeakPolarHBondContact O-CA 3.48Å; I338-C369 WeakPolarHBondContact O-CB 3.27Å; I338-L370 HydrophobicContact CG1-CB 4.11Å; I338-L370 PolarHBondContact N-O 3.48Å; I338-L370 PolarHBondContact O-N 3.13Å; I338-L388 HydrophobicContact CG2-CD1 4.36Å; I338-L390 HydrophobicContact CD1-CD1 3.95Å; I338-L390 HydrophobicContact CG2-CD1 4.32Å
339	Q	90.6	Very high	72.1	Confident	44 Å²	44	59.9 Å²	59.9	21%	0.206	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150.4	175.9	-179.2	-176.6	-62.4	0	0	110.8	G267 I268 V270 A341 A367 R368	G267-Q339 CarbonylContact C-O 3.58Å; G267-Q339 WeakPolarHBondContact CA-O 3.43Å; I268-Q339 PolarHBondContact N-O 3.38Å; I268-Q339 PolarHBondContact O-N 2.91Å; V270-Q339 HydrophobicContact CG2-CB 3.44Å; V270-Q339 VanDerWaalsContact CG2-CB 3.44Å; V270-Q339 HydrophobicContact CG2-CG 4.39Å; Q339-A341 PolarHBondContact O-N 3.25Å; Q339-A367 HydrophobicContact CG-CB 3.49Å; Q339-A367 VanDerWaalsContact CG-CB 3.49Å; Q339-R368 CarbonylContact C-O 3.56Å; Q339-R368 WeakPolarHBondContact CA-O 3.49Å
340	E	84.3	Confident	69.3	Low	21 Å²	21	59.8 Å²	59.8	10%	0.098	34%	0.34	C	S	.	.			trans	-57.7	132.9	175.8	60.4	-178.2	-166.7	0	0	111.8	L251 R252 A367 R368	L251-E340 HydrophobicContact CB-CB 4.29Å; L251-E340 HydrophobicContact CD1-CB 4.28Å; L251-E340 HydrophobicContact CG-CB 4.49Å; R252-E340 IonicContact CZ-OE1 3.18Å; R252-E340 IonicContact CZ-OE2 3.95Å; R252-E340 IonicContact NE-OE1 3.85Å; R252-E340 PolarHBondContact NE-OE1 3.49Å; R252-E340 IonicContact NE-OE2 2.8Å; R252-E340 PolarHBondContact NE-OE2 3.2Å; R252-E340 VanDerWaalsContact NE-OE2 3.12Å; R252-E340 IonicContact NH2-OE1 2.69Å; R252-E340 PolarHBondContact NH2-OE1 3.27Å; R252-E340 IonicContact NH2-OE2 3.65Å; E340-A367 HydrophobicContact CG-CB 3.89Å; E340-A367 WeakPolarHBondContact OE1-CA 3.44Å; E340-R368 HydrophobicContact CG-CB 4.33Å; E340-R368 PolarHBondContact N-O 3.34Å; E340-R368 PolarHBondContact OE1-N 3.45Å
341	A	69.6	Low	66.3	Low	9 Å²	9	62.9 Å²	62.9	7%	0.074	35%	0.354	C	S	.	.			trans	-70.2	137.2	170.8	0	0	0	0	0	109.5	Q339 S343 D344	Q339-A341 PolarHBondContact O-N 3.25Å; A341-S343 PolarHBondContact O-N 3.42Å; A341-D344 PolarHBondContact O-N 3.39Å
342	S	62.8	Low	63.5	Low	69 Å²	69	70.6 Å²	70.6	48%	0.483	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	1.2	-173.9	52.9	0	0	0	0	114.6
343	S	55.2	Low	60.5	Low	51 Å²	51	78.3 Å²	78.3	36%	0.357	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-30.6	178.1	37.1	0	0	0	0	114.9	A341 N345	A341-S343 PolarHBondContact O-N 3.42Å; S343-N345 PolarHBondContact O-N 3.45Å
344	D	48.5	Very low	57.6	Low	56 Å²	56	83 Å²	83	30%	0.299	44%	0.437	S	S	.	.			trans	-85.1	29.2	-150.2	-57.7	-1.9	0	0	0	114.8	A341	A341-D344 PolarHBondContact O-N 3.39Å
345	N	45.4	Very low	54.8	Low	68 Å²	68	87 Å²	87	36%	0.364	47%	0.471	S	S	.	.			trans	-111.6	16.6	-174.6	-67.3	-73.2	0	0	0	114.4	R252 S343	R252-N345 PolarHBondContact NH1-ND2 3.09Å; R252-N345 PolarHBondContact NH1-OD1 3.16Å; S343-N345 PolarHBondContact O-N 3.45Å
346	H	43.2	Very low	52.1	Low	97 Å²	97	89.3 Å²	89.3	45%	0.449	49%	0.493	S	S	.	.			trans	-126.9	42.3	-170	-74.9	-36.4	0	0	0	115.6
347	E	36.5	Very low	49.2	Very low	156 Å²	156	93 Å²	93	73%	0.729	52%	0.519	S	S	*	.	S	Bend	trans	-128.4	126.4	162.2	-74.6	-144.2	121.2	0	0	113.5
348	I	35.5	Very low	46.3	Very low	144 Å²	144	94.8 Å²	94.8	74%	0.738	53%	0.533	S	S	*	.			trans	55.1	95.1	150	-48.3	167.5	0	0	0	116.9
349	D	29.5	Very low	43.6	Very low	170 Å²	170	97.6 Å²	97.6	91%	0.909	55%	0.552	S	S	*	*			trans	-130.8	107.6	132.3	-113.1	-40.3	0	0	0	107.7	N351	D349-N351 PolarHBondContact O-N 3.24Å; D349-N351 VanDerWaalsContact O-N 3.08Å
350	G	28.2	Very low	41.1	Very low	76 Å²	76	99.7 Å²	99.7	78%	0.784	57%	0.568	S	S	*	*			trans	-80.3	16.4	-160.4	0	0	0	0	0	116.5
351	N	27.2	Very low	38.7	Very low	149 Å²	149	103.1 Å²	103.1	80%	0.797	59%	0.59	S	S	*	*			trans	-154.1	60.1	-162.6	-130.5	-3.1	0	0	0	115.6	D349	D349-N351 PolarHBondContact O-N 3.24Å; D349-N351 VanDerWaalsContact O-N 3.08Å
352	H	31	Very low	37.5	Very low	175 Å²	175	104.3 Å²	104.3	81%	0.81	60%	0.598	S	S	*	*			trans	-150.8	146.5	156.6	-95.1	-76.7	0	0	0	110.3
353	R	30.1	Very low	36.6	Very low	240 Å²	240	107.4 Å²	107.4	91%	0.906	61%	0.608	S	S	*	*	S	Bend	trans	-87.5	-4.5	-174.4	-80.3	-176.6	169.2	176.3	-3.5	114.5	A355	R353-A355 PolarHBondContact O-N 3.09Å
354	D	28.8	Very low	36.4	Very low	111 Å²	111	108.9 Å²	108.9	59%	0.594	63%	0.632	S	S	*	*			trans	-96.9	56.9	-166.3	-50.1	-65.2	0	0	0	112.4	S356	D354-S356 PolarHBondContact O-N 3.35Å
355	A	31.3	Very low	37	Very low	89 Å²	89	115.2 Å²	115.2	74%	0.736	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	10.9	-170.5	0	0	0	0	0	115.9	R353	R353-A355 PolarHBondContact O-N 3.09Å
356	S	33.9	Very low	38.2	Very low	113 Å²	113	117.6 Å²	117.6	79%	0.79	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-6.2	-171.4	54.8	0	0	0	0	115.5	D354	D354-S356 PolarHBondContact O-N 3.35Å
357	S	32.1	Very low	39.8	Very low	80 Å²	80	114.7 Å²	114.7	56%	0.559	67%	0.666	S	S	*	*	S	Bend	trans	-129	-20.5	-171	63.8	0	0	0	0	116.2
358	S	34.1	Very low	42.2	Very low	73 Å²	73	114.7 Å²	114.7	51%	0.51	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-77.4	-32.1	-167.6	55.1	0	0	0	0	114.9	V360 T361	S358-V360 PolarHBondContact O-N 3.08Å; S358-T361 WeakPolarHBondContact O-CB 3.44Å; S358-T361 VanDerWaalsContact O-CG2 3.3Å; S358-T361 WeakPolarHBondContact O-CG2 3.31Å; S358-T361 PolarHBondContact O-N 3.11Å; S358-T361 PolarHBondContact O-OG1 3.08Å
359	S	37.7	Very low	44.9	Very low	58 Å²	58	111.2 Å²	111.2	41%	0.406	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-67.3	-16.7	-176.5	55	0	0	0	0	114.7
360	V	38	Very low	47.9	Very low	89 Å²	89	103.4 Å²	103.4	54%	0.539	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-87.5	-13.7	-179.5	178.6	0	0	0	0	112.3	S358 S362 I363	S358-V360 PolarHBondContact O-N 3.08Å; V360-S362 PolarHBondContact O-N 2.69Å; V360-I363 HydrophobicContact CG1-CD1 4.39Å; V360-I363 PolarHBondContact O-N 2.85Å
361	T	34.9	Very low	51	Low	92 Å²	92	101 Å²	101	56%	0.564	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-4.8	-166	59.1	0	0	0	0	116.9	S358	S358-T361 WeakPolarHBondContact O-CB 3.44Å; S358-T361 VanDerWaalsContact O-CG2 3.3Å; S358-T361 WeakPolarHBondContact O-CG2 3.31Å; S358-T361 PolarHBondContact O-N 3.11Å; S358-T361 PolarHBondContact O-OG1 3.08Å
362	S	42.8	Very low	54.2	Low	34 Å²	34	94 Å²	94	24%	0.238	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-8.7	171.9	53.2	0	0	0	0	115	V360 G364 R365	V360-S362 PolarHBondContact O-N 2.69Å; S362-G364 PolarHBondContact O-N 3.47Å; S362-R365 PolarHBondContact O-N 3.11Å
363	I	45	Very low	57.2	Low	134 Å²	134	87.9 Å²	87.9	69%	0.687	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	117.3	177.7	-60.2	179.3	0	0	0	108.3	V360	V360-I363 HydrophobicContact CG1-CD1 4.39Å; V360-I363 PolarHBondContact O-N 2.85Å
364	G	51.6	Low	60.2	Low	83 Å²	83	76.5 Å²	76.5	86%	0.856	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	8.7	-179.6	0	0	0	0	0	116.2	S362	S362-G364 PolarHBondContact O-N 3.47Å
365	R	60.3	Low	63.2	Low	189 Å²	189	73.4 Å²	73.4	71%	0.713	45%	0.45	S	S	*	.	S	Bend	trans	-103.7	133.5	168.1	-74.2	178.7	170.6	164	-3.2	110.5	S362 A367	S362-R365 PolarHBondContact O-N 3.11Å; R365-A367 PolarHBondContact O-N 3.37Å
366	S	69.5	Low	65.9	Low	117 Å²	117	72.8 Å²	72.8	82%	0.818	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-58.4	132	174.8	-49.4	0	0	0	0	110.8
367	A	77.9	Confident	68.5	Low	37 Å²	37	70 Å²	70	31%	0.306	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61.5	144.2	-179.1	0	0	0	0	0	111.5	Q339 E340 R365	Q339-A367 HydrophobicContact CG-CB 3.49Å; Q339-A367 VanDerWaalsContact CG-CB 3.49Å; E340-A367 HydrophobicContact CG-CB 3.89Å; E340-A367 WeakPolarHBondContact OE1-CA 3.44Å; R365-A367 PolarHBondContact O-N 3.37Å
368	R	87.6	Confident	71.3	Confident	155 Å²	155	66.9 Å²	66.9	59%	0.585	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-75.6	131.7	174.6	-71.5	-78.7	167.5	156.8	-5.6	110.4	L251 Q339 E340	L251-R368 HydrophobicContact CB-CB 4.09Å; Q339-R368 CarbonylContact C-O 3.56Å; Q339-R368 WeakPolarHBondContact CA-O 3.49Å; E340-R368 HydrophobicContact CG-CB 4.33Å; E340-R368 PolarHBondContact N-O 3.34Å; E340-R368 PolarHBondContact OE1-N 3.45Å
369	C	91	Very high	73.9	Confident	71 Å²	71	64.7 Å²	64.7	48%	0.48	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.3	172.9	-56.1	0	0	0	0	111.4	T337 I338	T337-C369 HydrophobicContact CG2-CB 3.9Å; I338-C369 CarbonylContact O-C 3.57Å; I338-C369 WeakPolarHBondContact O-CA 3.48Å; I338-C369 WeakPolarHBondContact O-CB 3.27Å
370	L	93.1	Very high	76.2	Confident	7 Å²	7	66.5 Å²	66.5	4%	0.037	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.3	177.2	176.3	63.4	0	0	0	109.5	L251 L254 V265 T337 I338 I394 L428 M430	L251-L370 HydrophobicContact CD1-CB 4.35Å; L251-L370 HydrophobicContact CD2-CB 4.1Å; L251-L370 HydrophobicContact CD2-CD2 3.82Å; L254-L370 HydrophobicContact CD1-CD2 3.91Å; V265-L370 HydrophobicContact CG1-CD2 4.43Å; V265-L370 HydrophobicContact CG2-CD2 4.33Å; T337-L370 WeakPolarHBondContact CA-O 2.96Å; I338-L370 HydrophobicContact CG1-CB 4.11Å; I338-L370 PolarHBondContact N-O 3.48Å; I338-L370 PolarHBondContact O-N 3.13Å; L370-I394 HydrophobicContact CD2-CD1 4.46Å; L370-L428 HydrophobicContact CD1-CB 4.32Å; L370-M430 HydrophobicContact CD2-CB 4.09Å; L370-M430 HydrophobicContact CD2-SD 4.17Å; L370-M430 HydrophobicContact CG-CB 4.46Å
371	A	93.1	Very high	78.5	Confident	26 Å²	26	62.9 Å²	62.9	22%	0.215	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.8	168.4	0	0	0	0	0	109.7	I335 I429 M430	I335-A371 HydrophobicContact CG2-CB 4.36Å; A371-I429 HydrophobicContact CB-CD1 4.47Å; A371-I429 HydrophobicContact CB-CG1 4.35Å; A371-I429 WeakPolarHBondContact O-CA 3.1Å; A371-I429 WeakPolarHBondContact O-CG1 3.4Å; A371-M430 PolarHBondContact O-N 3.34Å
372	C	94.7	Very high	81	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130	-178.6	-58.6	0	0	0	0	108.7	I335 V336 L390 M430 V432	I335-C372 WeakPolarHBondContact CA-O 3.29Å; V336-C372 PolarHBondContact N-O 2.96Å; V336-C372 WeakPolarHBondContact O-CB 3.3Å; V336-C372 PolarHBondContact O-N 3.15Å; C372-L390 HydrophobicContact CB-CD1 4.01Å; C372-L390 VanDerWaalsContact SG-CD1 3.51Å; C372-M430 CarbonylContact C-O 3.56Å; C372-M430 VanDerWaalsContact CA-O 3.3Å; C372-M430 WeakPolarHBondContact CA-O 3.41Å; C372-M430 HydrophobicContact CB-CB 4.49Å; C372-V432 HydrophobicContact CB-CG2 3.79Å
373	R	93.2	Very high	83.2	Confident	46 Å²	46	58.4 Å²	58.4	17%	0.174	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.9	174.1	-178	-177.4	-68.9	-156.9	-7.4	109.3	D299 E375 I429 M430 V432	D299-R373 PolarHBondContact O-NH1 2.74Å; R373-E375 VanDerWaalsContact CD-OE1 3.25Å; R373-E375 WeakPolarHBondContact CD-OE1 3.36Å; R373-E375 HydrophobicContact CG-CG 4.08Å; R373-I429 HydrophobicContact CB-CD1 4.06Å; R373-M430 PolarHBondContact N-O 3.22Å; R373-V432 WeakPolarHBondContact O-CB 3.22Å; R373-V432 WeakPolarHBondContact O-CG2 3.38Å; R373-V432 PolarHBondContact O-N 2.84Å; R373-V432 VanDerWaalsContact O-N 3.08Å
374	L	93.6	Very high	85.3	Confident	1 Å²	1	52 Å²	52	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.3	168.7	-50.8	-174.3	0	0	0	108.9	T333 Q334 V336 L378 I379 V432 L435	T333-L374 WeakPolarHBondContact CA-O 3.5Å; Q334-L374 HydrophobicContact CB-CB 4.44Å; Q334-L374 PolarHBondContact N-O 2.68Å; Q334-L374 PolarHBondContact O-N 2.82Å; V336-L374 HydrophobicContact CB-CD1 4.29Å; V336-L374 HydrophobicContact CG2-CD1 3.49Å; V336-L374 VanDerWaalsContact CG2-CD1 3.49Å; V336-L374 HydrophobicContact CG2-CG 3.99Å; L374-L378 HydrophobicContact CB-CB 4Å; L374-L378 WeakPolarHBondContact CD1-O 3.46Å; L374-L378 HydrophobicContact CD2-CB 4.29Å; L374-L378 HydrophobicContact CD2-CD1 4.39Å; L374-I379 HydrophobicContact CB-CG1 4.43Å; L374-V432 HydrophobicContact CD2-CB 3.76Å; L374-V432 HydrophobicContact CD2-CG1 4.02Å; L374-V432 HydrophobicContact CD2-CG2 3.69Å; L374-L435 HydrophobicContact CD1-CD1 3.88Å; L374-L435 HydrophobicContact CD2-CD1 3.92Å
375	E	91.2	Very high	86.9	Confident	47 Å²	47	48.1 Å²	48.1	22%	0.22	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.6	-177.8	-57.5	-176.4	178.2	0	0	109.9	I331 T333 R373 D377 L378	I331-E375 HydrophobicContact CG2-CB 4.46Å; T333-E375 HydrophobicContact CG2-CG 4.25Å; R373-E375 VanDerWaalsContact CD-OE1 3.25Å; R373-E375 WeakPolarHBondContact CD-OE1 3.36Å; R373-E375 HydrophobicContact CG-CG 4.08Å; E375-D377 PolarHBondContact O-N 3.08Å; E375-L378 PolarHBondContact O-N 3.36Å
376	R	89.2	Confident	88.2	Confident	76 Å²	76	39.9 Å²	39.9	29%	0.287	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	52.8	-125.4	179	-54.5	177.8	-175.4	77.4	-6.7	111.9	I331 D332 L378 I379	I331-R376 HydrophobicContact CG2-CG 3.79Å; D332-R376 PolarHBondContact O-N 3.38Å; R376-L378 PolarHBondContact O-N 3.3Å; R376-I379 WeakPolarHBondContact O-CB 3.45Å; R376-I379 WeakPolarHBondContact O-CG1 3.35Å; R376-I379 PolarHBondContact O-N 2.85Å; R376-I379 VanDerWaalsContact O-N 3.1Å
377	D	87.7	Confident	88.9	Confident	55 Å²	55	35.5 Å²	35.5	29%	0.294	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-58.5	-10.5	-177.8	50.4	-67.8	0	0	0	115.7	R241 E375	R241-D377 IonicContact CZ-OD1 3.95Å; R241-D377 IonicContact CZ-OD2 3.26Å; R241-D377 IonicContact NE-OD2 2.78Å; R241-D377 PolarHBondContact NE-OD2 2.73Å; R241-D377 IonicContact NH2-OD1 2.73Å; R241-D377 PolarHBondContact NH2-OD1 2.99Å; R241-D377 IonicContact NH2-OD2 2.87Å; R241-D377 PolarHBondContact NH2-OD2 3.29Å; E375-D377 PolarHBondContact O-N 3.08Å
378	L	91.4	Very high	89.4	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.068	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-87.6	-9.3	174	-59.3	-171.3	0	0	0	114.1	L374 E375 R376 S381 V432 L435	L374-L378 HydrophobicContact CB-CB 4Å; L374-L378 WeakPolarHBondContact CD1-O 3.46Å; L374-L378 HydrophobicContact CD2-CB 4.29Å; L374-L378 HydrophobicContact CD2-CD1 4.39Å; E375-L378 PolarHBondContact O-N 3.36Å; R376-L378 PolarHBondContact O-N 3.3Å; L378-S381 WeakPolarHBondContact O-CB 3.24Å; L378-S381 PolarHBondContact O-OG 2.94Å; L378-V432 HydrophobicContact CD1-CB 4.14Å; L378-V432 HydrophobicContact CD1-CG1 3.72Å; L378-L435 HydrophobicContact CD2-CB 4.27Å
379	I	89.4	Confident	89.5	Confident	28 Å²	28	26.6 Å²	26.6	14%	0.144	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	142.3	-176.2	-66	169	0	0	0	110.8	V275 D332 Q334 L374 R376 S381	V275-I379 HydrophobicContact CG1-CD1 4.42Å; V275-I379 HydrophobicContact CG1-CG2 4.05Å; V275-I379 HydrophobicContact CG2-CG2 3.62Å; D332-I379 HydrophobicContact CB-CD1 3.51Å; D332-I379 WeakPolarHBondContact O-CD1 3.5Å; Q334-I379 HydrophobicContact CB-CG1 4.06Å; Q334-I379 HydrophobicContact CB-CG2 4.26Å; L374-I379 HydrophobicContact CB-CG1 4.43Å; R376-I379 WeakPolarHBondContact O-CB 3.45Å; R376-I379 WeakPolarHBondContact O-CG1 3.35Å; R376-I379 PolarHBondContact O-N 2.85Å; R376-I379 VanDerWaalsContact O-N 3.1Å; I379-S381 PolarHBondContact O-N 3.3Å
380	D	85.2	Confident	89.6	Confident	95 Å²	95	23.3 Å²	23.3	51%	0.508	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	11.5	-177.8	-61.1	-31.7	0	0	0	115.1	Q334 C382	Q334-D380 PolarHBondContact NE2-OD1 2.94Å; D380-C382 PolarHBondContact O-N 3.19Å
381	S	85.2	Confident	89.6	Confident	13 Å²	13	23 Å²	23	9%	0.091	12%	0.117	C	C	.	.	S	Bend	trans	-70.5	-6	176.6	65.9	0	0	0	0	114.5	L378 I379 L435	L378-S381 WeakPolarHBondContact O-CB 3.24Å; L378-S381 PolarHBondContact O-OG 2.94Å; I379-S381 PolarHBondContact O-N 3.3Å; S381-L435 WeakPolarHBondContact OG-CD1 3.48Å
382	C	88.6	Confident	89.6	Confident	4 Å²	4	21.8 Å²	21.8	3%	0.027	11%	0.107	C	C	.	.			trans	-145.8	157.3	-178.6	63.3	0	0	0	0	111.4	V269 D380 D386 L388 L435	V269-C382 HydrophobicContact CG2-CB 4.34Å; D380-C382 PolarHBondContact O-N 3.19Å; C382-D386 WeakPolarHBondContact CA-OD2 3.48Å; C382-L388 HydrophobicContact CB-CD1 3.95Å; C382-L388 HydrophobicContact CB-CD2 3.82Å; C382-L388 HydrophobicContact CB-CG 4.44Å; C382-L435 HydrophobicContact CB-CD1 4.46Å
383	I	88.5	Confident	89.4	Confident	29 Å²	29	22.4 Å²	22.4	15%	0.149	11%	0.11	C	C	.	.			trans	-121.5	158.1	178.4	61.3	178.5	0	0	0	111.7	V269 G385 D386 L773 P774	V269-I383 WeakPolarHBondContact CB-O 3.41Å; I383-G385 PolarHBondContact O-N 3.33Å; I383-D386 WeakPolarHBondContact CG1-OD1 3.21Å; I383-D386 WeakPolarHBondContact CG1-OD2 3.44Å; I383-D386 PolarHBondContact N-OD2 3.36Å; I383-D386 VanDerWaalsContact O-CB 3.32Å; I383-D386 WeakPolarHBondContact O-CB 3.46Å; I383-D386 PolarHBondContact O-N 3.39Å; I383-D386 VanDerWaalsContact O-N 3.07Å; I383-L773 HydrophobicContact CB-CD2 3.84Å; I383-L773 HydrophobicContact CD1-CD2 4.18Å; I383-L773 HydrophobicContact CG1-CD2 4.42Å; I383-L773 HydrophobicContact CG2-CD2 4.29Å; I383-P774 HydrophobicContact CD1-CG 3.93Å
384	P	89.7	Confident	89.2	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	133.9	170.3	-20.2	31.8	0	0	0	110.7	L272 L725 A727 V731 L773	L272-P384 HydrophobicContact CD1-CG 4.26Å; L272-P384 HydrophobicContact CG-CG 4.06Å; P384-L725 HydrophobicContact CG-CB 3.85Å; P384-L725 HydrophobicContact CG-CD1 4.48Å; P384-A727 HydrophobicContact CB-CB 3.64Å; P384-V731 WeakPolarHBondContact O-CG1 3.47Å; P384-L773 HydrophobicContact CB-CD1 4.11Å; P384-L773 HydrophobicContact CG-CD1 4.05Å
385	G	85.3	Confident	88.9	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-17.6	-172.2	0	0	0	0	0	115.3	V269 I383 R694	V269-G385 PolarHBondContact O-N 2.89Å; I383-G385 PolarHBondContact O-N 3.33Å; G385-R694 PolarHBondContact O-NH1 3.12Å; G385-R694 PolarHBondContact O-NH2 3.5Å
386	D	86.4	Confident	88.5	Confident	16 Å²	16	22 Å²	22	9%	0.086	11%	0.113	C	C	.	.			trans	-64.9	144.1	177	-81.7	-16.7	0	0	0	112.5	I268 V269 C382 I383 L388	I268-D386 CarbonylContact C-O 3.54Å; I268-D386 VanDerWaalsContact CA-O 3.27Å; I268-D386 WeakPolarHBondContact CA-O 3.13Å; V269-D386 HydrophobicContact CG2-CB 4.11Å; V269-D386 PolarHBondContact N-O 2.95Å; C382-D386 WeakPolarHBondContact CA-OD2 3.48Å; I383-D386 WeakPolarHBondContact CG1-OD1 3.21Å; I383-D386 WeakPolarHBondContact CG1-OD2 3.44Å; I383-D386 PolarHBondContact N-OD2 3.36Å; I383-D386 VanDerWaalsContact O-CB 3.32Å; I383-D386 WeakPolarHBondContact O-CB 3.46Å; I383-D386 PolarHBondContact O-N 3.39Å; I383-D386 VanDerWaalsContact O-N 3.07Å; D386-L388 HydrophobicContact CB-CD2 4.06Å
387	V	84.5	Confident	87.9	Confident	26 Å²	26	20.8 Å²	20.8	16%	0.158	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.4	166.8	-170.7	0	0	0	0	107.8	I268 L438	I268-V387 HydrophobicContact CG1-CG2 4.38Å; V387-L438 HydrophobicContact CB-CB 4.29Å; V387-L438 HydrophobicContact CG1-CB 4.37Å; V387-L438 HydrophobicContact CG1-CD1 4.23Å; V387-L438 WeakPolarHBondContact O-CB 3.48Å; V387-L438 PolarHBondContact O-N 2.96Å
388	L	88.3	Confident	87	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.7	-178.9	-57.6	-175.7	0	0	0	112	K266 G267 V269 I338 C382 D386 L390 L435 I436 C437	K266-L388 WeakPolarHBondContact CA-O 3.2Å; G267-L388 PolarHBondContact N-O 3.35Å; G267-L388 PolarHBondContact O-N 3.05Å; V269-L388 HydrophobicContact CG2-CD1 3.39Å; V269-L388 HydrophobicContact CG2-CD2 4.48Å; V269-L388 HydrophobicContact CG2-CG 3.71Å; I338-L388 HydrophobicContact CG2-CD1 4.36Å; C382-L388 HydrophobicContact CB-CD1 3.95Å; C382-L388 HydrophobicContact CB-CD2 3.82Å; C382-L388 HydrophobicContact CB-CG 4.44Å; D386-L388 HydrophobicContact CB-CD2 4.06Å; L388-L390 HydrophobicContact CB-CD2 4.04Å; L388-L390 HydrophobicContact CB-CG 4.24Å; L388-L390 HydrophobicContact CD1-CD2 4.06Å; L388-L435 HydrophobicContact CD1-CD1 3.88Å; L388-L435 HydrophobicContact CD1-CG 4.19Å; L388-L435 HydrophobicContact CD2-CD2 4.06Å; L388-L435 HydrophobicContact CD2-CG 4.34Å; L388-I436 WeakPolarHBondContact CA-O 3.43Å; L388-C437 HydrophobicContact CD2-CB 3.85Å
389	H	89.9	Confident	85.3	Confident	5 Å²	5	22.4 Å²	22.4	2%	0.023	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.2	159.2	175	-144.1	0	0	0	107.5	N244 S264 I436 L438 L486	N244-H389 WeakPolarHBondContact CA-NE2 3.49Å; N244-H389 PolarHBondContact N-NE2 3.25Å; S264-H389 PolarHBondContact OG-CD2 3.47Å; H389-I436 HydrophobicContact CB-CB 4.37Å; H389-I436 WeakPolarHBondContact CE1-CD1 3.47Å; H389-I436 PolarHBondContact N-O 2.99Å; H389-I436 PolarHBondContact O-N 3.27Å; H389-L438 HydrophobicContact CB-CD1 4.15Å; H389-L438 HydrophobicContact CB-CD2 4.27Å; H389-L438 HydrophobicContact CB-CG 4.29Å; H389-L486 WeakPolarHBondContact CE1-CD1 3.2Å
390	L	92.8	Very high	83.3	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.8	-177.1	-57.1	-177	0	0	0	110.3	S264 V265 I338 C372 L388 M430 V432 S434 L435	S264-L390 CarbonylContact C-O 3.58Å; S264-L390 VanDerWaalsContact CA-O 3.29Å; S264-L390 WeakPolarHBondContact CA-O 3.48Å; V265-L390 HydrophobicContact CG2-CB 3.93Å; V265-L390 HydrophobicContact CG2-CD1 4.46Å; V265-L390 PolarHBondContact N-O 2.98Å; V265-L390 PolarHBondContact O-N 3.48Å; I338-L390 HydrophobicContact CD1-CD1 3.95Å; I338-L390 HydrophobicContact CG2-CD1 4.32Å; C372-L390 HydrophobicContact CB-CD1 4.01Å; C372-L390 VanDerWaalsContact SG-CD1 3.51Å; L388-L390 HydrophobicContact CB-CD2 4.04Å; L388-L390 HydrophobicContact CB-CG 4.24Å; L388-L390 HydrophobicContact CD1-CD2 4.06Å; L390-M430 HydrophobicContact CB-CE 3.9Å; L390-M430 HydrophobicContact CB-SD 4.17Å; L390-V432 HydrophobicContact CD1-CG2 4.18Å; L390-V432 HydrophobicContact CD2-CG1 4.19Å; L390-S434 WeakPolarHBondContact CA-O 3.5Å; L390-L435 HydrophobicContact CD2-CB 3.74Å; L390-L435 HydrophobicContact CD2-CD1 3.79Å; L390-L435 HydrophobicContact CD2-CG 3.55Å
391	T	93.2	Very high	81.4	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.2	169.5	73.7	0	0	0	0	109.4	I242 H245 I263 N433 S434	I242-T391 PolarHBondContact O-OG1 2.87Å; H245-T391 HydrophobicContact CB-CG2 3.7Å; I263-T391 WeakPolarHBondContact O-CA 3.38Å; T391-N433 WeakPolarHBondContact O-CA 3.44Å; T391-N433 PolarHBondContact O-N 3.29Å; T391-S434 PolarHBondContact N-O 3.1Å; T391-S434 PolarHBondContact O-N 3.34Å; T391-S434 VanDerWaalsContact OG1-CB 3.22Å; T391-S434 WeakPolarHBondContact OG1-CB 3.45Å; T391-S434 PolarHBondContact OG1-N 3.35Å
392	G	92.9	Very high	79.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-177.2	-174	0	0	0	0	0	115.6	F262 I263 N431	F262-G392 WeakPolarHBondContact CA-O 3.41Å; I263-G392 PolarHBondContact N-O 2.69Å; I263-G392 PolarHBondContact O-N 3.49Å; G392-N431 VanDerWaalsContact CA-O 3.31Å; G392-N431 WeakPolarHBondContact CA-O 3.13Å
393	L	90.4	Very high	76.4	Confident	14 Å²	14	31.5 Å²	31.5	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.7	-176.6	-70.2	168.8	0	0	0	111.7	C192 E193 L196 F262 N431	C192-L393 HydrophobicContact CB-CD1 4.04Å; C192-L393 HydrophobicContact CB-CD2 3.52Å; C192-L393 HydrophobicContact CB-CG 4.38Å; E193-L393 HydrophobicContact CB-CD1 4.34Å; L196-L393 HydrophobicContact CD1-CD1 4.04Å; L196-L393 HydrophobicContact CD1-CG 4.48Å; F262-L393 HydrophobicContact CB-CD2 3.88Å; F262-L393 HydrophobicContact CD2-CD2 4.1Å; F262-L393 HydrophobicContact CD2-CG 4.12Å; F262-L393 HydrophobicContact CG-CD2 4.49Å; L393-N431 PolarHBondContact N-O 3.04Å; L393-N431 PolarHBondContact O-N 2.81Å
394	I	90.6	Very high	73.7	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.1	172.2	-62.7	-58.8	0	0	0	110.7	H258 G260 Q261 I263 L370 L428 M430	H258-I394 WeakPolarHBondContact O-CB 3.45Å; G260-I394 PolarHBondContact N-O 2.93Å; Q261-I394 PolarHBondContact O-N 3.32Å; I263-I394 HydrophobicContact CD1-CD1 3.84Å; I263-I394 HydrophobicContact CD1-CG1 3.58Å; I263-I394 HydrophobicContact CG1-CD1 4.35Å; I263-I394 HydrophobicContact CG1-CG1 4Å; L370-I394 HydrophobicContact CD2-CD1 4.46Å; I394-L428 HydrophobicContact CG2-CD2 3.8Å; I394-M430 HydrophobicContact CD1-CB 3.81Å; I394-M430 HydrophobicContact CD1-CG 4.03Å
395	G	86	Confident	70.8	Confident	4 Å²	4	38.6 Å²	38.6	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-163.3	172.4	0	0	0	0	0	112.5	I429	G395-I429 PolarHBondContact N-O 3.25Å; G395-I429 PolarHBondContact O-N 2.93Å; G395-I429 VanDerWaalsContact O-N 3.13Å
396	L	83.3	Confident	68.1	Low	80 Å²	80	44.3 Å²	44.3	42%	0.419	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.6	-178	-63.2	174.3	0	0	0	112.3	L259 Y426 S427 L428	L259-L396 HydrophobicContact CD1-CD1 4.27Å; L259-L396 HydrophobicContact CD1-CD2 4.11Å; L259-L396 HydrophobicContact CD1-CG 3.74Å; L259-L396 HydrophobicContact CD2-CD1 4.02Å; L259-L396 HydrophobicContact CD2-CG 4.36Å; L396-Y426 HydrophobicContact CB-CD1 4.33Å; L396-Y426 HydrophobicContact CD1-CD1 4.49Å; L396-Y426 HydrophobicContact CD1-CG 4.26Å; L396-S427 CarbonylContact C-O 3.58Å; L396-S427 WeakPolarHBondContact CA-O 3.42Å; L396-L428 HydrophobicContact CD2-CD2 3.85Å
397	I	76.8	Confident	65.5	Low	52 Å²	52	49.2 Å²	49.2	27%	0.267	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.8	160.4	-85.8	180	0	0	0	109.4	Y426 S427 I429	I397-Y426 WeakPolarHBondContact O-CA 3.46Å; I397-S427 PolarHBondContact N-O 2.97Å; I397-S427 PolarHBondContact O-N 2.97Å; I397-I429 HydrophobicContact CD1-CB 4.38Å; I397-I429 HydrophobicContact CD1-CD1 3.51Å; I397-I429 HydrophobicContact CD1-CG2 4.45Å; I397-I429 HydrophobicContact CG1-CB 4.39Å; I397-I429 HydrophobicContact CG1-CD1 4.27Å; I397-I429 HydrophobicContact CG1-CG2 4.03Å
398	S	68.1	Low	62.8	Low	47 Å²	47	53.3 Å²	53.3	33%	0.329	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.5	171.2	-163.1	0	0	0	0	109.6	D400 G401	S398-D400 PolarHBondContact O-N 3.22Å; S398-G401 PolarHBondContact O-N 3.19Å
399	S	56.1	Low	59.9	Low	54 Å²	54	58.3 Å²	58.3	38%	0.378	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-55.3	-36.2	177.8	52.2	0	0	0	0	112.8	G401 L402 A423	S399-G401 PolarHBondContact O-N 3.23Å; S399-L402 PolarHBondContact O-N 3.23Å; S399-L402 VanDerWaalsContact O-N 3.11Å; S399-A423 WeakPolarHBondContact OG-CB 3.38Å
400	D	48.5	Very low	56.8	Low	71 Å²	71	63.2 Å²	63.2	38%	0.38	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-66.3	-11	-175	-49.9	-21.6	0	0	0	113.4	S398 L402 G403 A404 A423	S398-D400 PolarHBondContact O-N 3.22Å; D400-L402 PolarHBondContact O-N 2.95Å; D400-G403 PolarHBondContact O-N 2.83Å; D400-A404 HydrophobicContact CB-CB 4.46Å; D400-A404 WeakPolarHBondContact O-CB 3.12Å; D400-A423 WeakPolarHBondContact OD2-CB 3.5Å; D400-A423 PolarHBondContact OD2-N 3.25Å
401	G	44.3	Very low	53.6	Low	60 Å²	60	69 Å²	69	62%	0.619	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-67	-9.9	170.9	0	0	0	0	0	114.4	S398 S399	S398-G401 PolarHBondContact O-N 3.19Å; S399-G401 PolarHBondContact O-N 3.23Å
402	L	40.3	Very low	50.4	Low	129 Å²	129	73.4 Å²	73.4	68%	0.675	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-107.7	5.8	-178.8	-73.2	159.9	0	0	0	114.1	S399 D400	S399-L402 PolarHBondContact O-N 3.23Å; S399-L402 VanDerWaalsContact O-N 3.11Å; D400-L402 PolarHBondContact O-N 2.95Å
403	G	28.9	Very low	47.3	Very low	72 Å²	72	85 Å²	85	74%	0.742	56%	0.562	S	S	*	*	S	Bend	trans	174.7	58.6	-178.9	0	0	0	0	0	117.8	D400	D400-G403 PolarHBondContact O-N 2.83Å
404	A	30.6	Very low	44.1	Very low	77 Å²	77	88.9 Å²	88.9	64%	0.636	59%	0.59	S	S	*	*			trans	-132.3	68	-178.9	0	0	0	0	0	114.3	D400	D400-A404 HydrophobicContact CB-CB 4.46Å; D400-A404 WeakPolarHBondContact O-CB 3.12Å
405	S	29.1	Very low	41.1	Very low	101 Å²	101	93.9 Å²	93.9	71%	0.706	63%	0.625	S	S	*	*			trans	-120.4	58.2	175.7	69.3	0	0	0	0	113.5
406	S	28.6	Very low	38.3	Very low	120 Å²	120	97.3 Å²	97.3	84%	0.839	65%	0.648	S	S	*	*			trans	-149.6	48.2	-178	58.5	0	0	0	0	115.9
407	S	32.1	Very low	35.8	Very low	119 Å²	119	103 Å²	103	83%	0.832	66%	0.664	S	S	*	*			trans	-148.2	124.2	158.9	61	0	0	0	0	112.3
408	S	27.1	Very low	33.7	Very low	111 Å²	111	105.1 Å²	105.1	78%	0.776	68%	0.683	S	S	*	*			trans	-80	172.8	172.7	45.9	0	0	0	0	112.2
409	S	28	Very low	32	Very low	106 Å²	106	107.5 Å²	107.5	74%	0.741	70%	0.7	S	S	*	*			trans	77.7	94.1	165.8	-52.2	0	0	0	0	118.2
410	S	25.9	Very low	31.1	Very low	107 Å²	107	114.2 Å²	114.2	75%	0.748	72%	0.717	S	S	*	*			trans	45.4	127.1	130.1	60.1	0	0	0	0	121.8
411	S	24.3	Very low	30.8	Very low	122 Å²	122	123.2 Å²	123.2	85%	0.853	75%	0.746	S	S	*	*			trans	82.8	120.4	160.3	81.9	0	0	0	0	118.1
412	A	25.8	Very low	31.1	Very low	94 Å²	94	122 Å²	122	78%	0.777	73%	0.733	S	S	*	*			trans	-175.8	71.1	149.2	0	0	0	0	0	111.6	S414	A412-S414 VanDerWaalsContact C-N 3.32Å; A412-S414 PolarHBondContact O-N 3.49Å
413	Y	27.8	Very low	31.8	Very low	244 Å²	244	116.6 Å²	116.6	96%	0.957	71%	0.707	S	S	*	*			trans	-80.1	86.5	157.2	-75.1	-84.4	0	0	0	108
414	S	25	Very low	33.8	Very low	96 Å²	96	120 Å²	120	67%	0.671	71%	0.714	S	S	*	*			trans	-135.3	136.7	175.1	-171.8	0	0	0	0	111.1	A412	A412-S414 VanDerWaalsContact C-N 3.32Å; A412-S414 PolarHBondContact O-N 3.49Å
415	S	26.7	Very low	35.8	Very low	106 Å²	106	123.3 Å²	123.3	74%	0.741	72%	0.718	S	S	*	*			trans	-110.5	86.2	178.3	49.1	0	0	0	0	110
416	S	28	Very low	38.1	Very low	75 Å²	75	124.4 Å²	124.4	52%	0.524	71%	0.708	S	S	.	*			trans	-152.3	144.5	158.8	-176.4	0	0	0	0	109.3	S418	S416-S418 PolarHBondContact O-N 2.89Å; S416-S418 PolarHBondContact OG-N 2.9Å; S416-S418 PolarHBondContact OG-OG 2.82Å
417	W	30.8	Very low	40.7	Very low	201 Å²	201	122 Å²	122	76%	0.761	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-13.8	176.3	-145.5	-34.8	0	0	0	112.1	L70 I186	L70-W417 HydrophobicContact CD1-CH2 3.25Å; L70-W417 HydrophobicContact CD1-CZ2 3.47Å; L70-W417 VanDerWaalsContact CD1-CZ2 3.47Å; L70-W417 HydrophobicContact CD1-CZ3 4Å; L70-W417 HydrophobicContact CD2-CH2 4.34Å; L70-W417 HydrophobicContact CD2-CZ2 3.66Å; L70-W417 HydrophobicContact CG-CH2 4.43Å; L70-W417 HydrophobicContact CG-CZ2 4.23Å; I186-W417 HydrophobicContact CD1-CH2 4.36Å
418	S	31.7	Very low	43.4	Very low	95 Å²	95	118.6 Å²	118.6	66%	0.664	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	6.4	-165	63.7	0	0	0	0	117	S416	S416-S418 PolarHBondContact O-N 2.89Å; S416-S418 PolarHBondContact OG-N 2.9Å; S416-S418 PolarHBondContact OG-OG 2.82Å
419	S	31.8	Very low	46.5	Very low	98 Å²	98	113.6 Å²	113.6	69%	0.685	63%	0.627	S	S	*	*	S	Bend	trans	-139.4	14.1	-167.5	-58.9	0	0	0	0	117.1
420	R	38.4	Very low	49.5	Very low	194 Å²	194	108.5 Å²	108.5	73%	0.732	59%	0.592	S	S	*	*			trans	-97.6	124.6	158.8	-72.4	-169.7	-177.4	174.6	4.9	109.2	G422	R420-G422 PolarHBondContact O-N 3.09Å
421	R	41.4	Very low	52.7	Low	261 Å²	261	106.3 Å²	106.3	99%	0.985	57%	0.572	S	S	*	*			trans	-74.5	70.4	155.4	-63.1	-171.3	-164.9	178.6	5.3	108.1
422	G	50.1	Low	56	Low	34 Å²	34	101.2 Å²	101.2	35%	0.351	54%	0.535	S	S	.	.			trans	-71.9	167.1	168.3	0	0	0	0	0	110.5	R420 T424	R420-G422 PolarHBondContact O-N 3.09Å; G422-T424 PolarHBondContact O-N 3.13Å
423	A	56	Low	59.3	Low	16 Å²	16	97.5 Å²	97.5	13%	0.132	50%	0.503	C	S	.	.			trans	-44	132.6	169.1	0	0	0	0	0	112.8	S399 D400 M425 Y426	S399-A423 WeakPolarHBondContact OG-CB 3.38Å; D400-A423 WeakPolarHBondContact OD2-CB 3.5Å; D400-A423 PolarHBondContact OD2-N 3.25Å; A423-M425 VanDerWaalsContact CB-O 3.25Å; A423-M425 WeakPolarHBondContact CB-O 3.41Å; A423-M425 PolarHBondContact O-N 2.84Å; A423-Y426 VanDerWaalsContact O-CE2 3.31Å; A423-Y426 WeakPolarHBondContact O-CE2 3.28Å
424	T	69.9	Low	62.3	Low	144 Å²	144	86.1 Å²	86.1	88%	0.883	46%	0.458	S	S	*	.	S	Bend	trans	-74.8	-8.5	168.6	50.6	0	0	0	0	112.4	G422	G422-T424 PolarHBondContact O-N 3.13Å
425	M	72.6	Confident	65.5	Low	146 Å²	146	82.7 Å²	82.7	72%	0.719	43%	0.432	S	S	*	.			trans	-117.6	133.3	175.3	-72.3	-177.8	60	0	0	110.7	A423	A423-M425 VanDerWaalsContact CB-O 3.25Å; A423-M425 WeakPolarHBondContact CB-O 3.41Å; A423-M425 PolarHBondContact O-N 2.84Å
426	Y	78.8	Confident	68.4	Low	124 Å²	124	79 Å²	79	49%	0.486	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.3	171	-67.2	-91.7	0	0	0	108.8	L396 I397 A423	L396-Y426 HydrophobicContact CB-CD1 4.33Å; L396-Y426 HydrophobicContact CD1-CD1 4.49Å; L396-Y426 HydrophobicContact CD1-CG 4.26Å; I397-Y426 WeakPolarHBondContact O-CA 3.46Å; A423-Y426 VanDerWaalsContact O-CE2 3.31Å; A423-Y426 WeakPolarHBondContact O-CE2 3.28Å
427	S	83.3	Confident	70.9	Confident	69 Å²	69	77.6 Å²	77.6	48%	0.483	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	144.6	169	-164	0	0	0	0	109.8	L396 I397	L396-S427 CarbonylContact C-O 3.58Å; L396-S427 WeakPolarHBondContact CA-O 3.42Å; I397-S427 PolarHBondContact N-O 2.97Å; I397-S427 PolarHBondContact O-N 2.97Å
428	L	88.2	Confident	73	Confident	48 Å²	48	70.9 Å²	70.9	25%	0.251	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.8	168.6	-64.3	171.4	0	0	0	109.1	L370 I394 L396	L370-L428 HydrophobicContact CD1-CB 4.32Å; I394-L428 HydrophobicContact CG2-CD2 3.8Å; L396-L428 HydrophobicContact CD2-CD2 3.85Å
429	I	91	Very high	74.5	Confident	5 Å²	5	67.1 Å²	67.1	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.7	168.4	-175.6	159.2	0	0	0	109.2	A371 R373 G395 I397	A371-I429 HydrophobicContact CB-CD1 4.47Å; A371-I429 HydrophobicContact CB-CG1 4.35Å; A371-I429 WeakPolarHBondContact O-CA 3.1Å; A371-I429 WeakPolarHBondContact O-CG1 3.4Å; R373-I429 HydrophobicContact CB-CD1 4.06Å; G395-I429 PolarHBondContact N-O 3.25Å; G395-I429 PolarHBondContact O-N 2.93Å; G395-I429 VanDerWaalsContact O-N 3.13Å; I397-I429 HydrophobicContact CD1-CB 4.38Å; I397-I429 HydrophobicContact CD1-CD1 3.51Å; I397-I429 HydrophobicContact CD1-CG2 4.45Å; I397-I429 HydrophobicContact CG1-CB 4.39Å; I397-I429 HydrophobicContact CG1-CD1 4.27Å; I397-I429 HydrophobicContact CG1-CG2 4.03Å
430	M	92.4	Very high	75.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119	171.4	-173	170.8	-177.5	0	0	110.2	I263 V265 L370 A371 C372 R373 L390 I394 V432	I263-M430 HydrophobicContact CG1-CE 4.43Å; V265-M430 HydrophobicContact CG1-SD 4.4Å; V265-M430 HydrophobicContact CG2-CE 4.07Å; V265-M430 HydrophobicContact CG2-SD 3.55Å; V265-M430 VanDerWaalsContact CG2-SD 3.55Å; L370-M430 HydrophobicContact CD2-CB 4.09Å; L370-M430 HydrophobicContact CD2-SD 4.17Å; L370-M430 HydrophobicContact CG-CB 4.46Å; A371-M430 PolarHBondContact O-N 3.34Å; C372-M430 CarbonylContact C-O 3.56Å; C372-M430 VanDerWaalsContact CA-O 3.3Å; C372-M430 WeakPolarHBondContact CA-O 3.41Å; C372-M430 HydrophobicContact CB-CB 4.49Å; R373-M430 PolarHBondContact N-O 3.22Å; L390-M430 HydrophobicContact CB-CE 3.9Å; L390-M430 HydrophobicContact CB-SD 4.17Å; I394-M430 HydrophobicContact CD1-CB 3.81Å; I394-M430 HydrophobicContact CD1-CG 4.03Å; M430-V432 HydrophobicContact CG-CG2 4.32Å; M430-V432 PolarHBondContact O-N 2.8Å
431	N	92.1	Very high	75.1	Confident	60 Å²	60	58.6 Å²	58.6	32%	0.321	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	107.5	167.8	-69.5	-5.9	0	0	0	107.4	G392 L393 N433	G392-N431 VanDerWaalsContact CA-O 3.31Å; G392-N431 WeakPolarHBondContact CA-O 3.13Å; L393-N431 PolarHBondContact N-O 3.04Å; L393-N431 PolarHBondContact O-N 2.81Å; N431-N433 PolarHBondContact O-N 3.42Å
432	V	94.9	Very high	74.8	Confident	15 Å²	15	47.9 Å²	47.9	9%	0.091	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.5	-167.7	-178.4	0	0	0	0	110.7	C372 R373 L374 L378 L390 M430 S434 L435	C372-V432 HydrophobicContact CB-CG2 3.79Å; R373-V432 WeakPolarHBondContact O-CB 3.22Å; R373-V432 WeakPolarHBondContact O-CG2 3.38Å; R373-V432 PolarHBondContact O-N 2.84Å; R373-V432 VanDerWaalsContact O-N 3.08Å; L374-V432 HydrophobicContact CD2-CB 3.76Å; L374-V432 HydrophobicContact CD2-CG1 4.02Å; L374-V432 HydrophobicContact CD2-CG2 3.69Å; L378-V432 HydrophobicContact CD1-CB 4.14Å; L378-V432 HydrophobicContact CD1-CG1 3.72Å; L390-V432 HydrophobicContact CD1-CG2 4.18Å; L390-V432 HydrophobicContact CD2-CG1 4.19Å; M430-V432 HydrophobicContact CG-CG2 4.32Å; M430-V432 PolarHBondContact O-N 2.8Å; V432-S434 WeakPolarHBondContact CG1-O 3.38Å; V432-L435 HydrophobicContact CG1-CB 4.36Å
433	N	93.5	Very high	73.8	Confident	17 Å²	17	49.5 Å²	49.5	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-39.8	168.9	177.2	-109.2	0	0	0	111.9	L196 A240 R241 I242 F262 T391 N431	L196-N433 HydrophobicContact CD1-CB 4.46Å; A240-N433 PolarHBondContact O-ND2 3.04Å; R241-N433 WeakPolarHBondContact CD-O 3.18Å; R241-N433 PolarHBondContact NH1-O 3.04Å; I242-N433 PolarHBondContact N-OD1 2.87Å; F262-N433 HydrophobicContact CE2-CB 3.69Å; F262-N433 HydrophobicContact CZ-CB 4.02Å; T391-N433 WeakPolarHBondContact O-CA 3.44Å; T391-N433 PolarHBondContact O-N 3.29Å; N431-N433 PolarHBondContact O-N 3.42Å
434	S	92.3	Very high	72.5	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.028	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.6	175	-158.7	0	0	0	0	112.1	I242 L390 T391 V432	I242-S434 WeakPolarHBondContact O-CB 3.34Å; L390-S434 WeakPolarHBondContact CA-O 3.5Å; T391-S434 PolarHBondContact N-O 3.1Å; T391-S434 PolarHBondContact O-N 3.34Å; T391-S434 VanDerWaalsContact OG1-CB 3.22Å; T391-S434 WeakPolarHBondContact OG1-CB 3.45Å; T391-S434 PolarHBondContact OG1-N 3.35Å; V432-S434 WeakPolarHBondContact CG1-O 3.38Å
435	L	91.8	Very high	70.5	Confident	24 Å²	24	49.4 Å²	49.4	13%	0.126	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.7	178.2	179.4	156.1	0	0	0	108.6	L374 L378 S381 C382 L388 L390 V432	L374-L435 HydrophobicContact CD1-CD1 3.88Å; L374-L435 HydrophobicContact CD2-CD1 3.92Å; L378-L435 HydrophobicContact CD2-CB 4.27Å; S381-L435 WeakPolarHBondContact OG-CD1 3.48Å; C382-L435 HydrophobicContact CB-CD1 4.46Å; L388-L435 HydrophobicContact CD1-CD1 3.88Å; L388-L435 HydrophobicContact CD1-CG 4.19Å; L388-L435 HydrophobicContact CD2-CD2 4.06Å; L388-L435 HydrophobicContact CD2-CG 4.34Å; L390-L435 HydrophobicContact CD2-CB 3.74Å; L390-L435 HydrophobicContact CD2-CD1 3.79Å; L390-L435 HydrophobicContact CD2-CG 3.55Å; V432-L435 HydrophobicContact CG1-CB 4.36Å
436	I	86.5	Confident	68.4	Low	29 Å²	29	48 Å²	48	15%	0.149	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.6	173.9	-57.2	172.9	0	0	0	107.6	V243 L388 H389 L438 V482	V243-I436 HydrophobicContact CB-CD1 4.09Å; V243-I436 HydrophobicContact CG1-CD1 4.02Å; L388-I436 WeakPolarHBondContact CA-O 3.43Å; H389-I436 HydrophobicContact CB-CB 4.37Å; H389-I436 WeakPolarHBondContact CE1-CD1 3.47Å; H389-I436 PolarHBondContact N-O 2.99Å; H389-I436 PolarHBondContact O-N 3.27Å; I436-L438 HydrophobicContact CG2-CD2 4.03Å; I436-V482 HydrophobicContact CD1-CG1 4.46Å
437	C	82.3	Confident	66	Low	45 Å²	45	48.2 Å²	48.2	30%	0.304	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.7	171.2	-173.3	0	0	0	0	110.3	L388	L388-C437 HydrophobicContact CD2-CB 3.85Å
438	L	74.2	Confident	63.3	Low	61 Å²	61	48.2 Å²	48.2	32%	0.319	36%	0.358	S	S	.	.			trans	-93.8	-10	178.7	-52.1	-179.5	0	0	0	112.3	K266 V387 H389 I436 G440 L486	K266-L438 HydrophobicContact CD-CD1 4.39Å; K266-L438 HydrophobicContact CG-CD1 4.41Å; V387-L438 HydrophobicContact CB-CB 4.29Å; V387-L438 HydrophobicContact CG1-CB 4.37Å; V387-L438 HydrophobicContact CG1-CD1 4.23Å; V387-L438 WeakPolarHBondContact O-CB 3.48Å; V387-L438 PolarHBondContact O-N 2.96Å; H389-L438 HydrophobicContact CB-CD1 4.15Å; H389-L438 HydrophobicContact CB-CD2 4.27Å; H389-L438 HydrophobicContact CB-CG 4.29Å; I436-L438 HydrophobicContact CG2-CD2 4.03Å; L438-G440 PolarHBondContact O-N 3.48Å; L438-L486 HydrophobicContact CD2-CD1 3.93Å
439	S	62	Low	60.7	Low	15 Å²	15	49 Å²	49	11%	0.105	36%	0.357	C	S	.	.			trans	-78.4	44.6	-179.6	-151.7	0	0	0	0	112.4	G441	S439-G441 PolarHBondContact O-N 3.3Å
440	G	45.9	Very low	58	Low	72 Å²	72	52.3 Å²	52.3	74%	0.742	37%	0.374	S	S	*	.			trans	-75	80.9	-168.3	0	0	0	0	0	114.4	L438	L438-G440 PolarHBondContact O-N 3.48Å
441	G	38.5	Very low	55.1	Low	41 Å²	41	56 Å²	56	42%	0.423	40%	0.397	S	S	.	.			trans	168.4	154.7	167	0	0	0	0	0	112.4	S439 R776	S439-G441 PolarHBondContact O-N 3.3Å; G441-R776 VanDerWaalsContact C-NH1 3.28Å; G441-R776 VanDerWaalsContact O-CZ 3.22Å; G441-R776 PolarHBondContact O-NH1 3.02Å; G441-R776 PolarHBondContact O-NH2 3.18Å
442	G	34.3	Very low	52.2	Low	37 Å²	37	55.4 Å²	55.4	38%	0.381	41%	0.406	S	S	.	.			trans	109.5	86.2	-175.8	0	0	0	0	0	111.4	G444	G442-G444 PolarHBondContact O-N 2.84Å
443	G	28.5	Very low	49.2	Very low	68 Å²	68	60.3 Å²	60.3	70%	0.701	43%	0.431	S	S	*	.			trans	-62.2	120.7	175.2	0	0	0	0	0	110.8
444	G	30	Very low	46.3	Very low	35 Å²	35	66.3 Å²	66.3	36%	0.361	46%	0.459	S	S	.	.			trans	-154.2	87.6	-178.9	0	0	0	0	0	109.5	G442 N446 R449	G442-G444 PolarHBondContact O-N 2.84Å; G444-N446 PolarHBondContact O-N 2.86Å; G444-N446 VanDerWaalsContact O-N 3.14Å; G444-R449 PolarHBondContact O-NH1 2.89Å
445	S	27.7	Very low	43.6	Very low	122 Å²	122	68 Å²	68	85%	0.853	47%	0.468	S	S	*	.			trans	-63.2	107.4	-173.4	-49.7	0	0	0	0	111.8
446	N	27.6	Very low	41.1	Very low	118 Å²	118	72.7 Å²	72.7	63%	0.631	49%	0.489	S	S	*	.			trans	-155.6	143.5	154.7	-101.1	-26.3	0	0	0	108.5	G444	G444-N446 PolarHBondContact O-N 2.86Å; G444-N446 VanDerWaalsContact O-N 3.14Å
447	S	28.2	Very low	39.4	Very low	128 Å²	128	79.5 Å²	79.5	90%	0.895	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	140.7	-164.3	-49.8	0	0	0	0	114.3
448	G	27.9	Very low	38	Very low	69 Å²	69	79.5 Å²	79.5	71%	0.711	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.6	-10.2	170.5	0	0	0	0	0	116.3	L450	G448-L450 PolarHBondContact O-N 2.85Å
449	R	32.8	Very low	37.3	Very low	64 Å²	64	77.8 Å²	77.8	24%	0.242	50%	0.5	C	S	.	.			trans	-67.8	112.6	179.1	-88	-175.3	169.5	143.9	4.6	113	G444 T451 N772	G444-R449 PolarHBondContact O-NH1 2.89Å; R449-T451 HydrophobicContact CB-CG2 4.19Å; R449-T451 PolarHBondContact O-N 3.35Å; R449-T451 PolarHBondContact O-OG1 3.28Å; R449-N772 PolarHBondContact NH2-O 2.95Å
450	L	35	Very low	37.5	Very low	74 Å²	74	78.6 Å²	78.6	39%	0.387	50%	0.503	S	S	.	.			trans	-70.4	43	160.9	-72.7	167.5	0	0	0	112.6	G448 E454	G448-L450 PolarHBondContact O-N 2.85Å; L450-E454 HydrophobicContact CD2-CB 4.33Å
451	T	30.3	Very low	38.6	Very low	77 Å²	77	75.3 Å²	75.3	47%	0.472	47%	0.468	S	S	.	.			trans	-63.8	152.5	165	36.7	0	0	0	0	110.2	R449 D453 E454	R449-T451 HydrophobicContact CB-CG2 4.19Å; R449-T451 PolarHBondContact O-N 3.35Å; R449-T451 PolarHBondContact O-OG1 3.28Å; T451-D453 PolarHBondContact O-N 2.85Å; T451-E454 PolarHBondContact O-N 3.41Å
452	G	32.8	Very low	40.1	Very low	49 Å²	49	74.8 Å²	74.8	51%	0.505	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-16.7	-161.1	0	0	0	0	0	118.9
453	D	30.4	Very low	41.2	Very low	118 Å²	118	74.8 Å²	74.8	63%	0.631	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-27.8	171.7	-83.8	-57.8	0	0	0	114.4	T451 N455 Q456	T451-D453 PolarHBondContact O-N 2.85Å; D453-N455 PolarHBondContact O-N 2.82Å; D453-Q456 WeakPolarHBondContact O-CB 3.45Å; D453-Q456 WeakPolarHBondContact O-CG 3.45Å; D453-Q456 PolarHBondContact O-N 2.93Å; D453-Q456 PolarHBondContact OD1-NE2 2.8Å
454	E	32.5	Very low	42.3	Very low	142 Å²	142	75.8 Å²	75.8	66%	0.664	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.4	170.5	-75.5	-74.7	125.3	0	0	111.2	L450 T451 Q456	L450-E454 HydrophobicContact CD2-CB 4.33Å; T451-E454 PolarHBondContact O-N 3.41Å; E454-Q456 PolarHBondContact O-N 3.27Å; E454-Q456 VanDerWaalsContact O-N 3.17Å
455	N	35.7	Very low	42.5	Very low	41 Å²	41	82 Å²	82	22%	0.219	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	2.9	163.8	-94.1	-13	0	0	0	113.2	D453 R457 M479	D453-N455 PolarHBondContact O-N 2.82Å; N455-R457 VanDerWaalsContact C-N 3.28Å; N455-R457 PolarHBondContact O-N 2.95Å; N455-M479 HydrophobicContact CB-CE 4.26Å; N455-M479 HydrophobicContact CB-SD 4.34Å
456	Q	39.9	Very low	42.6	Very low	121 Å²	121	80.7 Å²	80.7	57%	0.565	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	96.2	155	-67.9	177.2	37.1	0	0	109.3	D453 E454	D453-Q456 WeakPolarHBondContact O-CB 3.45Å; D453-Q456 WeakPolarHBondContact O-CG 3.45Å; D453-Q456 PolarHBondContact O-N 2.93Å; D453-Q456 PolarHBondContact OD1-NE2 2.8Å; E454-Q456 PolarHBondContact O-N 3.27Å; E454-Q456 VanDerWaalsContact O-N 3.17Å
457	R	50.4	Low	42.5	Very low	173 Å²	173	84.3 Å²	84.3	65%	0.653	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.4	12.3	158.9	-52.2	140.3	152.7	-155.8	-1.1	118	Q152 N455 L459	Q152-R457 VanDerWaalsContact NE2-C 3.32Å; Q152-R457 PolarHBondContact NE2-O 2.85Å; Q152-R457 PolarHBondContact OE1-O 3.3Å; N455-R457 VanDerWaalsContact C-N 3.28Å; N455-R457 PolarHBondContact O-N 2.95Å; R457-L459 PolarHBondContact O-N 2.66Å
458	L	52.9	Low	42.3	Very low	44 Å²	44	86.6 Å²	86.6	23%	0.23	46%	0.462	C	S	.	.			trans	-65.9	124.7	158.4	-95	172.8	0	0	0	108.4	Q152 A154 L156 I460	Q152-L458 HydrophobicContact CB-CD2 4.12Å; Q152-L458 HydrophobicContact CG-CD2 4.45Å; A154-L458 HydrophobicContact CB-CD2 4.22Å; A154-L458 WeakPolarHBondContact O-CD2 3.44Å; L156-L458 HydrophobicContact CD1-CB 4.29Å; L156-L458 HydrophobicContact CG-CB 4.42Å; L458-I460 PolarHBondContact O-N 3.49Å
459	L	58.9	Low	42.1	Very low	25 Å²	25	89.8 Å²	89.8	13%	0.131	47%	0.47	C	S	.	.			trans	-70.9	125.6	-173.9	-169.1	92.2	0	0	0	110.6	Y124 L144 I149 V155 L156 R457 L461	Y124-L459 HydrophobicContact CE1-CD1 4.45Å; Y124-L459 HydrophobicContact CE2-CD1 4.37Å; L144-L459 HydrophobicContact CD1-CD2 4.25Å; L144-L459 HydrophobicContact CD2-CD1 3.96Å; L144-L459 HydrophobicContact CD2-CD2 3.97Å; L144-L459 HydrophobicContact CG-CD1 4.48Å; I149-L459 HydrophobicContact CD1-CB 4.44Å; I149-L459 HydrophobicContact CD1-CD2 4.02Å; V155-L459 HydrophobicContact CG1-CB 4.43Å; V155-L459 HydrophobicContact CG1-CD2 4.22Å; L156-L459 PolarHBondContact N-O 3.11Å; R457-L459 PolarHBondContact O-N 2.66Å; L459-L461 HydrophobicContact CD2-CD2 3.58Å; L459-L461 HydrophobicContact CD2-CG 3.91Å; L459-L461 HydrophobicContact CG-CD2 4.48Å
460	I	67.1	Low	41.6	Very low	33 Å²	33	94 Å²	94	17%	0.169	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.1	172.7	-61.3	153.5	0	0	0	109	L156 L458 M479 V482	L156-I460 HydrophobicContact CB-CG1 4.1Å; L156-I460 HydrophobicContact CD1-CG1 3.85Å; L156-I460 HydrophobicContact CG-CG1 4.49Å; L458-I460 PolarHBondContact O-N 3.49Å; I460-M479 HydrophobicContact CD1-SD 4.34Å; I460-V482 HydrophobicContact CD1-CG2 3.69Å; I460-V482 HydrophobicContact CG1-CG2 4.41Å; I460-V482 HydrophobicContact CG2-CG2 4.36Å
461	L	68.4	Low	41.1	Very low	2 Å²	2	95.4 Å²	95.4	1%	0.01	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.8	172	-69.7	-179.1	0	0	0	109.8	L115 L118 V119 V155 L156 D158 L203 L459	L115-L461 HydrophobicContact CD2-CD1 3.68Å; L118-L461 HydrophobicContact CD1-CB 4.35Å; L118-L461 HydrophobicContact CD2-CB 3.73Å; L118-L461 HydrophobicContact CD2-CD2 4.2Å; L118-L461 HydrophobicContact CD2-CG 4.48Å; V119-L461 HydrophobicContact CG2-CD1 4.31Å; V119-L461 HydrophobicContact CG2-CD2 3.9Å; V155-L461 HydrophobicContact CG1-CD1 3.82Å; V155-L461 HydrophobicContact CG1-CG 3.97Å; L156-L461 PolarHBondContact O-N 2.82Å; D158-L461 PolarHBondContact N-O 3.37Å; L203-L461 HydrophobicContact CD2-CD1 4.2Å; L459-L461 HydrophobicContact CD2-CD2 3.58Å; L459-L461 HydrophobicContact CD2-CG 3.91Å; L459-L461 HydrophobicContact CG-CD2 4.48Å
462	S	70	Confident	40.8	Very low	30 Å²	30	101.2 Å²	101.2	21%	0.21	54%	0.535	C	S	.	.			trans	-135.4	152	172.7	59.3	0	0	0	0	111.8	S161	S161-S462 WeakPolarHBondContact OG-CA 3.47Å
463	S	58.1	Low	40.4	Very low	38 Å²	38	107 Å²	107	27%	0.266	55%	0.553	S	S	.	*			trans	-83.2	118.6	173.2	50.5	0	0	0	0	111.3	S161 E465	S161-S463 PolarHBondContact OG-N 2.94Å; S161-S463 PolarHBondContact OG-OG 2.86Å; S161-S463 VanDerWaalsContact OG-OG 3.13Å; S463-E465 PolarHBondContact O-N 2.87Å
464	N	51.4	Low	40.2	Very low	89 Å²	89	110.2 Å²	110.2	48%	0.476	56%	0.561	S	S	.	*			trans	-76.9	64.9	176.9	-77.7	-48.7	0	0	0	112.4	K481	N464-K481 PolarHBondContact OD1-NZ 2.96Å
465	E	34.8	Very low	39.9	Very low	165 Å²	165	108.7 Å²	108.7	77%	0.771	57%	0.566	S	S	*	*			trans	-106.1	77.9	170.8	-71.6	-176.5	-165	0	0	110.1	S463	S463-E465 PolarHBondContact O-N 2.87Å
466	S	29.9	Very low	39.4	Very low	94 Å²	94	112.6 Å²	112.6	66%	0.657	59%	0.587	S	S	*	*			trans	-142.6	128.1	167.1	60.5	0	0	0	0	108.4
467	E	25.4	Very low	38.8	Very low	194 Å²	194	108.5 Å²	108.5	91%	0.907	58%	0.577	S	S	*	*			trans	-74.5	143	-163.1	-59.1	177.9	121.8	0	0	114.1
468	Q	22.7	Very low	38.1	Very low	177 Å²	177	106 Å²	106	83%	0.827	58%	0.577	S	S	*	*			trans	51	104.6	166.9	-61.2	-169.4	-0.1	0	0	119.1
469	P	24.6	Very low	37.2	Very low	136 Å²	136	106.8 Å²	106.8	88%	0.883	58%	0.58	S	S	*	*			trans	-95.9	93	170.3	35.5	-30	0	0	0	112.6
470	D	21.6	Very low	36	Very low	152 Å²	152	108.9 Å²	108.9	81%	0.813	60%	0.597	S	S	*	*			trans	-81.1	118.3	171.2	-111.4	-21.1	0	0	0	112
471	S	24.8	Very low	34.4	Very low	104 Å²	104	112.2 Å²	112.2	73%	0.727	61%	0.61	S	S	*	*	S	Bend	trans	66.5	110.7	167.1	73.2	0	0	0	0	120.4
472	Q	24.1	Very low	32.9	Very low	198 Å²	198	112.7 Å²	112.7	93%	0.925	61%	0.613	S	S	*	*			trans	26.5	88.9	142.9	-56.9	-174	10.9	0	0	120.2
473	I	25.5	Very low	31.3	Very low	171 Å²	171	115.7 Å²	115.7	88%	0.877	63%	0.626	S	S	*	*			trans	-128.6	137.5	147.7	-62.2	-176.1	0	0	0	109.3
474	K	25.8	Very low	30.3	Very low	186 Å²	186	117.6 Å²	117.6	81%	0.809	64%	0.639	S	S	*	*			trans	-91.4	134	-177.6	-67.8	-179	177	179	0	112	D476	K474-D476 PolarHBondContact O-N 2.78Å
475	S	24.8	Very low	29.5	Very low	110 Å²	110	116 Å²	116	77%	0.769	64%	0.635	S	S	*	*	S	Bend	trans	29.7	83.1	147	63.1	0	0	0	0	117.7
476	D	27	Very low	29.7	Very low	123 Å²	123	109.5 Å²	109.5	66%	0.658	61%	0.605	S	S	*	*			trans	-160	15.2	162.1	-105.1	-5.4	0	0	0	110.4	K474 R548	K474-D476 PolarHBondContact O-N 2.78Å; D476-R548 IonicContact OD2-CZ 2.74Å; D476-R548 IonicContact OD2-NH1 2.7Å; D476-R548 IonicContact OD2-NH2 2.68Å; D476-R548 PolarHBondContact OD2-NH2 3.17Å
477	G	26.9	Very low	30.4	Very low	34 Å²	34	107.6 Å²	107.6	35%	0.351	59%	0.588	S	S	.	*			trans	-98.9	-34	-147.7	0	0	0	0	0	118.7	M479 S480 K481	G477-M479 PolarHBondContact O-N 2.73Å; G477-S480 PolarHBondContact O-N 3.39Å; G477-S480 VanDerWaalsContact O-N 3.14Å; G477-S480 PolarHBondContact O-OG 3.48Å; G477-K481 PolarHBondContact O-N 3.27Å
478	D	36	Very low	31.6	Very low	120 Å²	120	104.8 Å²	104.8	64%	0.642	58%	0.579	S	S	*	*	H	α-helix	trans	-74.5	-34.7	-157.7	-59.1	-47.8	0	0	0	114.3	S480	D478-S480 VanDerWaalsContact C-N 3.34Å
479	M	33.3	Very low	33.5	Very low	61 Å²	61	99.9 Å²	99.9	30%	0.3	56%	0.556	S	S	.	*	H	α-helix	trans	-70.2	-27.5	172.1	-88.8	-66.1	-66.4	0	0	113	N455 I460 G477 K481 V482 I483	N455-M479 HydrophobicContact CB-CE 4.26Å; N455-M479 HydrophobicContact CB-SD 4.34Å; I460-M479 HydrophobicContact CD1-SD 4.34Å; G477-M479 PolarHBondContact O-N 2.73Å; M479-K481 VanDerWaalsContact C-N 3.33Å; M479-K481 PolarHBondContact O-N 3.26Å; M479-V482 PolarHBondContact O-N 2.88Å; M479-I483 HydrophobicContact CE-CD1 4.5Å; M479-I483 WeakPolarHBondContact O-CG1 3.4Å; M479-I483 PolarHBondContact O-N 2.86Å
480	S	33.6	Very low	35.8	Very low	70 Å²	70	94.5 Å²	94.5	49%	0.49	52%	0.519	S	S	.	.	H	α-helix	trans	-71.4	-29.3	-179.2	77.1	0	0	0	0	112.1	G477 D478 I483 S484	G477-S480 PolarHBondContact O-N 3.39Å; G477-S480 VanDerWaalsContact O-N 3.14Å; G477-S480 PolarHBondContact O-OG 3.48Å; D478-S480 VanDerWaalsContact C-N 3.34Å; S480-I483 PolarHBondContact O-N 2.88Å; S480-S484 WeakPolarHBondContact O-CB 3.34Å; S480-S484 PolarHBondContact O-N 2.94Å
481	K	32.7	Very low	38.6	Very low	103 Å²	103	90 Å²	90	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-58.9	-49.6	169.5	-78.8	-173.6	172.4	-175.8	0	112	N464 G477 M479 I483 S484 S485	N464-K481 PolarHBondContact OD1-NZ 2.96Å; G477-K481 PolarHBondContact O-N 3.27Å; M479-K481 VanDerWaalsContact C-N 3.33Å; M479-K481 PolarHBondContact O-N 3.26Å; K481-I483 VanDerWaalsContact C-N 3.29Å; K481-I483 PolarHBondContact O-N 3.05Å; K481-S484 PolarHBondContact O-N 2.8Å; K481-S484 VanDerWaalsContact O-N 3.11Å; K481-S484 PolarHBondContact O-OG 3.41Å; K481-S485 PolarHBondContact O-N 3.47Å; K481-S485 PolarHBondContact O-OG 3.48Å
482	V	37	Very low	41.2	Very low	12 Å²	12	90.8 Å²	90.8	7%	0.073	49%	0.493	C	S	.	.	H	α-helix	trans	-62.6	-36.5	-179.9	179.1	0	0	0	0	111.8	I436 I460 M479 S485	I436-V482 HydrophobicContact CD1-CG1 4.46Å; I460-V482 HydrophobicContact CD1-CG2 3.69Å; I460-V482 HydrophobicContact CG1-CG2 4.41Å; I460-V482 HydrophobicContact CG2-CG2 4.36Å; M479-V482 PolarHBondContact O-N 2.88Å; V482-S485 PolarHBondContact O-OG 3.44Å
483	I	37.4	Very low	44	Very low	93 Å²	93	89.5 Å²	89.5	48%	0.477	48%	0.484	S	S	.	.	H	α-helix	trans	-70.9	-38.8	174.6	-63.5	167	0	0	0	110.9	M479 S480 K481 S485 L486 D487	M479-I483 HydrophobicContact CE-CD1 4.5Å; M479-I483 WeakPolarHBondContact O-CG1 3.4Å; M479-I483 PolarHBondContact O-N 2.86Å; S480-I483 PolarHBondContact O-N 2.88Å; K481-I483 VanDerWaalsContact C-N 3.29Å; K481-I483 PolarHBondContact O-N 3.05Å; I483-S485 VanDerWaalsContact C-N 3.31Å; I483-S485 PolarHBondContact O-N 3.14Å; I483-L486 WeakPolarHBondContact O-CA 3.43Å; I483-L486 WeakPolarHBondContact O-CB 3.24Å; I483-L486 PolarHBondContact O-N 2.82Å; I483-D487 PolarHBondContact O-N 2.67Å
484	S	36.7	Very low	46.8	Very low	78 Å²	78	82.2 Å²	82.2	55%	0.545	45%	0.447	S	S	.	.	H	α-helix	trans	-62.9	-32.1	-177.1	72.7	0	0	0	0	114.1	S480 K481 L486 D487	S480-S484 WeakPolarHBondContact O-CB 3.34Å; S480-S484 PolarHBondContact O-N 2.94Å; K481-S484 PolarHBondContact O-N 2.8Å; K481-S484 VanDerWaalsContact O-N 3.11Å; K481-S484 PolarHBondContact O-OG 3.41Å; S484-L486 PolarHBondContact O-N 3Å; S484-D487 PolarHBondContact O-N 2.84Å
485	S	35.6	Very low	49.7	Very low	55 Å²	55	76.3 Å²	76.3	39%	0.385	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.1	172.7	38.4	0	0	0	0	114.3	K481 V482 I483	K481-S485 PolarHBondContact O-N 3.47Å; K481-S485 PolarHBondContact O-OG 3.48Å; V482-S485 PolarHBondContact O-OG 3.44Å; I483-S485 VanDerWaalsContact C-N 3.31Å; I483-S485 PolarHBondContact O-N 3.14Å
486	L	37.8	Very low	52.8	Low	29 Å²	29	78.7 Å²	78.7	15%	0.152	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-5.4	176.6	-78.7	153	0	0	0	112.9	I248 H389 L438 I483 S484 N488	I248-L486 HydrophobicContact CD1-CD2 4.31Å; H389-L486 WeakPolarHBondContact CE1-CD1 3.2Å; L438-L486 HydrophobicContact CD2-CD1 3.93Å; I483-L486 WeakPolarHBondContact O-CA 3.43Å; I483-L486 WeakPolarHBondContact O-CB 3.24Å; I483-L486 PolarHBondContact O-N 2.82Å; S484-L486 PolarHBondContact O-N 3Å; L486-N488 PolarHBondContact O-N 3.31Å; L486-N488 VanDerWaalsContact O-N 3.08Å
487	D	44.7	Very low	55.8	Low	53 Å²	53	73.8 Å²	73.8	28%	0.283	39%	0.394	S	S	.	.			trans	-78.7	20.2	179.6	-106.9	34.3	0	0	0	114	I483 S484 E489 K913 Y914	I483-D487 PolarHBondContact O-N 2.67Å; S484-D487 PolarHBondContact O-N 2.84Å; D487-E489 PolarHBondContact O-N 2.85Å; D487-K913 IonicContact OD1-NZ 3.59Å; D487-K913 PolarHBondContact OD1-NZ 3.06Å; D487-K913 IonicContact OD2-NZ 3.73Å; D487-K913 PolarHBondContact OD2-NZ 2.91Å; D487-Y914 PolarHBondContact OD2-OH 2.96Å
488	N	51.3	Low	58.8	Low	136 Å²	136	72.6 Å²	72.6	73%	0.727	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	9.9	170.2	-75.5	-14.8	0	0	0	114.5	L486 F490	L486-N488 PolarHBondContact O-N 3.31Å; L486-N488 VanDerWaalsContact O-N 3.08Å; N488-F490 PolarHBondContact O-N 3.23Å
489	E	61.8	Low	61.5	Low	73 Å²	73	74 Å²	74	34%	0.341	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.4	175	-71.8	-179.2	159.5	0	0	113.2	K266 D487 L909 K913	K266-E489 IonicContact NZ-OE1 3.24Å; K266-E489 PolarHBondContact NZ-OE1 3.06Å; D487-E489 PolarHBondContact O-N 2.85Å; E489-L909 HydrophobicContact CB-CD2 4.47Å; E489-K913 IonicContact OE2-NZ 3.48Å
490	F	73.1	Confident	64.2	Low	24 Å²	24	77.1 Å²	77.1	11%	0.105	39%	0.389	C	S	.	.	S	Bend	trans	-129.5	114.8	178.9	-60.8	-76.9	0	0	0	112.2	N488 D494 L495 I498 K906 L909 Y910 Y914	N488-F490 PolarHBondContact O-N 3.23Å; F490-D494 HydrophobicContact CD1-CB 4.32Å; F490-L495 HydrophobicContact CB-CD2 3.98Å; F490-L495 HydrophobicContact CB-CG 4.27Å; F490-L495 HydrophobicContact CG-CD2 4.34Å; F490-I498 HydrophobicContact CD1-CD1 3.87Å; F490-I498 HydrophobicContact CE1-CD1 3.85Å; F490-K906 HydrophobicContact CE1-CB 4.16Å; F490-K906 WeakPolarHBondContact CE1-O 3.43Å; F490-L909 HydrophobicContact CE1-CD2 4.48Å; F490-L909 HydrophobicContact CE2-CD2 4.24Å; F490-L909 HydrophobicContact CE2-CG 4.4Å; F490-L909 HydrophobicContact CZ-CB 4.06Å; F490-L909 HydrophobicContact CZ-CD2 3.75Å; F490-L909 HydrophobicContact CZ-CG 3.79Å; F490-Y910 HydrophobicContact CE1-CD2 4.44Å; F490-Y910 HydrophobicContact CZ-CD2 4.34Å; F490-Y914 HydrophobicContact CD2-CE2 4.48Å; F490-Y914 HydrophobicContact CE2-CE2 4.1Å
491	S	79.8	Confident	67	Low	58 Å²	58	74.6 Å²	74.6	41%	0.406	37%	0.37	S	S	.	.			trans	-69.5	154	164.6	-173.2	0	0	0	0	110.2	K493 D494 L495	S491-K493 PolarHBondContact O-N 2.97Å; S491-K493 VanDerWaalsContact O-N 3.08Å; S491-D494 VanDerWaalsContact CB-OD2 3.29Å; S491-D494 WeakPolarHBondContact CB-OD2 3.44Å; S491-D494 PolarHBondContact N-OD2 2.85Å; S491-D494 WeakPolarHBondContact O-CA 3.3Å; S491-D494 WeakPolarHBondContact O-CB 3.49Å; S491-D494 PolarHBondContact O-N 3.01Å; S491-L495 PolarHBondContact O-N 3.26Å; S491-L495 VanDerWaalsContact O-N 3.11Å
492	M	79.8	Confident	69.9	Low	120 Å²	120	71.5 Å²	71.5	59%	0.591	36%	0.362	S	S	*	.	H	α-helix	trans	-51	-33.6	168.4	-74.1	-60.5	-60.3	0	0	112.4	L495 Y496	M492-L495 PolarHBondContact O-N 3.17Å; M492-L495 HydrophobicContact SD-CD1 4.1Å; M492-Y496 HydrophobicContact CE-CE2 4.05Å; M492-Y496 WeakPolarHBondContact O-CD2 3.37Å; M492-Y496 PolarHBondContact O-N 3.16Å; M492-Y496 VanDerWaalsContact O-N 3.09Å
493	K	83.9	Confident	72.5	Confident	170 Å²	170	76.5 Å²	76.5	74%	0.739	38%	0.384	S	S	*	.	H	α-helix	trans	-64.5	-37.6	174.4	-67.3	-177	178.9	178.7	0	113	S491 A497	S491-K493 PolarHBondContact O-N 2.97Å; S491-K493 VanDerWaalsContact O-N 3.08Å; K493-A497 WeakPolarHBondContact O-CB 3.37Å; K493-A497 PolarHBondContact O-N 2.95Å; K493-A497 VanDerWaalsContact O-N 3.08Å
494	D	83.2	Confident	74.9	Confident	18 Å²	18	76 Å²	76	10%	0.096	38%	0.38	C	S	.	.	H	α-helix	trans	-68.4	-39.7	176.3	-57.3	-55.6	0	0	0	110.7	F490 S491 A497 I498 K906	F490-D494 HydrophobicContact CD1-CB 4.32Å; S491-D494 VanDerWaalsContact CB-OD2 3.29Å; S491-D494 WeakPolarHBondContact CB-OD2 3.44Å; S491-D494 PolarHBondContact N-OD2 2.85Å; S491-D494 WeakPolarHBondContact O-CA 3.3Å; S491-D494 WeakPolarHBondContact O-CB 3.49Å; S491-D494 PolarHBondContact O-N 3.01Å; D494-A497 PolarHBondContact O-N 2.98Å; D494-I498 WeakPolarHBondContact O-CB 3.4Å; D494-I498 WeakPolarHBondContact O-CD1 3.32Å; D494-I498 WeakPolarHBondContact O-CG1 3.43Å; D494-I498 PolarHBondContact O-N 3.22Å; D494-K906 HydrophobicContact CB-CD 4.06Å; D494-K906 VanDerWaalsContact CG-CD 3.47Å; D494-K906 VanDerWaalsContact OD1-CD 3.24Å; D494-K906 WeakPolarHBondContact OD1-CD 3.48Å; D494-K906 IonicContact OD1-NZ 3.5Å; D494-K906 PolarHBondContact OD1-NZ 3.08Å; D494-K906 IonicContact OD2-NZ 3.56Å; D494-K906 PolarHBondContact OD2-NZ 3.36Å
495	L	87.3	Confident	77.3	Confident	63 Å²	63	76.4 Å²	76.4	33%	0.33	38%	0.381	S	S	.	.	H	α-helix	trans	-64.1	-40.9	177.7	-62.6	178.1	0	0	0	112.1	F490 S491 M492 R499 Y910	F490-L495 HydrophobicContact CB-CD2 3.98Å; F490-L495 HydrophobicContact CB-CG 4.27Å; F490-L495 HydrophobicContact CG-CD2 4.34Å; S491-L495 PolarHBondContact O-N 3.26Å; S491-L495 VanDerWaalsContact O-N 3.11Å; M492-L495 PolarHBondContact O-N 3.17Å; M492-L495 HydrophobicContact SD-CD1 4.1Å; L495-R499 WeakPolarHBondContact O-CB 3.37Å; L495-R499 PolarHBondContact O-N 2.97Å; L495-Y910 HydrophobicContact CD2-CD2 4.13Å; L495-Y910 HydrophobicContact CD2-CE2 3.84Å
496	Y	90.3	Very high	79.7	Confident	160 Å²	160	76.4 Å²	76.4	63%	0.627	38%	0.377	S	S	*	.	H	α-helix	trans	-63.2	-44.8	171.7	-75.9	-64.5	0	0	0	112	M492 R499 E500	M492-Y496 HydrophobicContact CE-CE2 4.05Å; M492-Y496 WeakPolarHBondContact O-CD2 3.37Å; M492-Y496 PolarHBondContact O-N 3.16Å; M492-Y496 VanDerWaalsContact O-N 3.09Å; Y496-R499 WeakPolarHBondContact O-CB 3.27Å; Y496-R499 PolarHBondContact O-N 3.44Å; Y496-E500 WeakPolarHBondContact O-CB 3.32Å; Y496-E500 PolarHBondContact O-N 2.98Å
497	A	89	Confident	82.3	Confident	20 Å²	20	75.4 Å²	75.4	17%	0.165	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-38.7	178.3	0	0	0	0	0	113	K493 D494 R499 E500 I501 L903	K493-A497 WeakPolarHBondContact O-CB 3.37Å; K493-A497 PolarHBondContact O-N 2.95Å; K493-A497 VanDerWaalsContact O-N 3.08Å; D494-A497 PolarHBondContact O-N 2.98Å; A497-R499 VanDerWaalsContact C-N 3.3Å; A497-R499 PolarHBondContact O-N 3.41Å; A497-E500 PolarHBondContact O-N 3.45Å; A497-I501 WeakPolarHBondContact O-CB 3.29Å; A497-I501 WeakPolarHBondContact O-CD1 3.49Å; A497-I501 VanDerWaalsContact O-CG1 3.24Å; A497-I501 WeakPolarHBondContact O-CG1 3.41Å; A497-I501 PolarHBondContact O-N 2.94Å; A497-L903 HydrophobicContact CB-CD2 4.27Å
498	I	90.5	Very high	84.6	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-41.2	174.3	-74.5	162.9	0	0	0	110.3	F490 D494 S502 Y907 Y910 L966	F490-I498 HydrophobicContact CD1-CD1 3.87Å; F490-I498 HydrophobicContact CE1-CD1 3.85Å; D494-I498 WeakPolarHBondContact O-CB 3.4Å; D494-I498 WeakPolarHBondContact O-CD1 3.32Å; D494-I498 WeakPolarHBondContact O-CG1 3.43Å; D494-I498 PolarHBondContact O-N 3.22Å; I498-S502 WeakPolarHBondContact O-CB 3.37Å; I498-S502 PolarHBondContact O-N 3.39Å; I498-Y907 HydrophobicContact CB-CD2 4.39Å; I498-Y907 HydrophobicContact CG1-CD2 4.38Å; I498-Y907 HydrophobicContact CG2-CD2 3.94Å; I498-Y907 HydrophobicContact CG2-CE2 4.33Å; I498-Y910 HydrophobicContact CD1-CD2 4.23Å; I498-Y910 HydrophobicContact CD1-CG 4.08Å; I498-Y910 HydrophobicContact CG2-CD1 3.79Å; I498-Y910 HydrophobicContact CG2-CE1 4.14Å; I498-Y910 HydrophobicContact CG2-CG 4.08Å; I498-L966 HydrophobicContact CG2-CD1 4.41Å
499	R	92	Very high	86.5	Confident	149 Å²	149	68.3 Å²	68.3	56%	0.562	33%	0.33	S	S	*	.	H	α-helix	trans	-65.1	-49.1	174.9	-179.3	178	171.5	164	3.5	111.9	L495 Y496 A497 I501 S502 E503	L495-R499 WeakPolarHBondContact O-CB 3.37Å; L495-R499 PolarHBondContact O-N 2.97Å; Y496-R499 WeakPolarHBondContact O-CB 3.27Å; Y496-R499 PolarHBondContact O-N 3.44Å; A497-R499 VanDerWaalsContact C-N 3.3Å; A497-R499 PolarHBondContact O-N 3.41Å; R499-I501 VanDerWaalsContact C-N 3.26Å; R499-I501 PolarHBondContact O-N 3.32Å; R499-S502 WeakPolarHBondContact CA-OG 3.49Å; R499-S502 WeakPolarHBondContact O-CA 3.36Å; R499-S502 PolarHBondContact O-N 2.79Å; R499-S502 PolarHBondContact O-OG 3.39Å; R499-E503 HydrophobicContact CG-CG 4.45Å; R499-E503 IonicContact CZ-OE1 2.74Å; R499-E503 IonicContact NE-OE1 2.7Å; R499-E503 PolarHBondContact NE-OE1 2.84Å; R499-E503 IonicContact NE-OE2 3.5Å; R499-E503 IonicContact NH2-OE1 3.73Å; R499-E503 PolarHBondContact NH2-OE1 3.32Å; R499-E503 WeakPolarHBondContact O-CG 3.34Å; R499-E503 PolarHBondContact O-N 2.89Å
500	E	91.8	Very high	88	Confident	127 Å²	127	66.2 Å²	66.2	59%	0.593	32%	0.321	S	S	*	.	H	α-helix	trans	-59.5	-35.5	178.4	-175.9	177	-169.3	0	0	112.2	Y496 A497 Q504	Y496-E500 WeakPolarHBondContact O-CB 3.32Å; Y496-E500 PolarHBondContact O-N 2.98Å; A497-E500 PolarHBondContact O-N 3.45Å; E500-Q504 WeakPolarHBondContact O-CG 3.45Å; E500-Q504 PolarHBondContact O-NE2 3.42Å
501	I	92.2	Very high	89	Confident	17 Å²	17	65 Å²	65	9%	0.087	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-45.9	169.5	-70	163.5	0	0	0	110.8	A497 R499 E503 Q504 L507 I899 L903 Y907	A497-I501 WeakPolarHBondContact O-CB 3.29Å; A497-I501 WeakPolarHBondContact O-CD1 3.49Å; A497-I501 VanDerWaalsContact O-CG1 3.24Å; A497-I501 WeakPolarHBondContact O-CG1 3.41Å; A497-I501 PolarHBondContact O-N 2.94Å; R499-I501 VanDerWaalsContact C-N 3.26Å; R499-I501 PolarHBondContact O-N 3.32Å; I501-E503 PolarHBondContact O-N 2.79Å; I501-Q504 WeakPolarHBondContact O-CB 3.39Å; I501-Q504 WeakPolarHBondContact O-CG 3.21Å; I501-Q504 PolarHBondContact O-N 3.47Å; I501-L507 HydrophobicContact CG2-CD1 3.85Å; I501-L507 WeakPolarHBondContact O-CD1 3.41Å; I501-I899 HydrophobicContact CD1-CG2 3.78Å; I501-I899 HydrophobicContact CG1-CD1 4.41Å; I501-I899 HydrophobicContact CG2-CD1 3.78Å; I501-L903 HydrophobicContact CD1-CB 4.36Å; I501-Y907 HydrophobicContact CB-CD2 4.17Å; I501-Y907 HydrophobicContact CB-CE2 4.23Å; I501-Y907 HydrophobicContact CG2-CD2 3.72Å; I501-Y907 HydrophobicContact CG2-CE2 3.64Å; I501-Y907 HydrophobicContact CG2-CG 4.39Å
502	S	92.3	Very high	89.6	Confident	39 Å²	39	62.3 Å²	62.3	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-23.2	-178.6	72	0	0	0	0	114.5	I498 R499 Q504	I498-S502 WeakPolarHBondContact O-CB 3.37Å; I498-S502 PolarHBondContact O-N 3.39Å; R499-S502 WeakPolarHBondContact CA-OG 3.49Å; R499-S502 WeakPolarHBondContact O-CA 3.36Å; R499-S502 PolarHBondContact O-N 2.79Å; R499-S502 PolarHBondContact O-OG 3.39Å; S502-Q504 VanDerWaalsContact C-N 3.34Å
503	E	92.1	Very high	90.1	Very high	116 Å²	116	57 Å²	57	54%	0.542	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.6	178.6	-69.6	175.4	168.6	0	0	113.1	R499 I501	R499-E503 HydrophobicContact CG-CG 4.45Å; R499-E503 IonicContact CZ-OE1 2.74Å; R499-E503 IonicContact NE-OE1 2.7Å; R499-E503 PolarHBondContact NE-OE1 2.84Å; R499-E503 IonicContact NE-OE2 3.5Å; R499-E503 IonicContact NH2-OE1 3.73Å; R499-E503 PolarHBondContact NH2-OE1 3.32Å; R499-E503 WeakPolarHBondContact O-CG 3.34Å; R499-E503 PolarHBondContact O-N 2.89Å; I501-E503 PolarHBondContact O-N 2.79Å
504	Q	88.7	Confident	90.4	Very high	83 Å²	83	49.3 Å²	49.3	39%	0.388	24%	0.24	S	C	.	.	S	Bend	trans	-74.1	138.6	-179.6	-63.2	-56.5	-48.8	0	0	113.6	E500 I501 S502 L510	E500-Q504 WeakPolarHBondContact O-CG 3.45Å; E500-Q504 PolarHBondContact O-NE2 3.42Å; I501-Q504 WeakPolarHBondContact O-CB 3.39Å; I501-Q504 WeakPolarHBondContact O-CG 3.21Å; I501-Q504 PolarHBondContact O-N 3.47Å; S502-Q504 VanDerWaalsContact C-N 3.34Å; Q504-L510 HydrophobicContact CB-CD2 4.18Å; Q504-L510 HydrophobicContact CG-CD2 4.06Å
505	P	85.8	Confident	90.8	Very high	87 Å²	87	48.7 Å²	48.7	57%	0.565	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	146.2	170.8	29.8	-34.8	0	0	0	110.9	L507	P505-L507 PolarHBondContact O-N 3.22Å
506	N	86	Confident	90.9	Very high	55 Å²	55	45.9 Å²	45.9	29%	0.294	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	31.3	179.9	-61.2	-25.2	0	0	0	114.1	F508 R509 L510 F878	N506-F508 VanDerWaalsContact C-N 3.29Å; N506-F508 PolarHBondContact O-N 3.5Å; N506-R509 HydrophobicContact CB-CB 4.44Å; N506-R509 WeakPolarHBondContact O-CA 3.32Å; N506-R509 VanDerWaalsContact O-CB 3.25Å; N506-R509 WeakPolarHBondContact O-CB 3.13Å; N506-R509 PolarHBondContact O-N 2.91Å; N506-L510 PolarHBondContact O-N 2.92Å; N506-F878 WeakPolarHBondContact OD1-CD2 3.36Å
507	L	92.4	Very high	90.6	Very high	8 Å²	8	40 Å²	40	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-43.3	-43.7	-175.2	176.8	53.5	0	0	0	115.4	I501 P505 R509 L510 L511 E965	I501-L507 HydrophobicContact CG2-CD1 3.85Å; I501-L507 WeakPolarHBondContact O-CD1 3.41Å; P505-L507 PolarHBondContact O-N 3.22Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 2.95Å; L507-L510 WeakPolarHBondContact O-CB 3.49Å; L507-L510 PolarHBondContact O-N 2.83Å; L507-L510 VanDerWaalsContact O-N 3.11Å; L507-L511 HydrophobicContact CD1-CD1 4.01Å; L507-L511 HydrophobicContact CD1-CD2 4.36Å; L507-L511 HydrophobicContact CD1-CG 3.91Å; L507-L511 HydrophobicContact CG-CD1 3.98Å; L507-L511 HydrophobicContact CG-CG 4.37Å; L507-L511 WeakPolarHBondContact O-CG 3.48Å; L507-L511 PolarHBondContact O-N 3.44Å; L507-E965 HydrophobicContact CB-CG 4.48Å; L507-E965 HydrophobicContact CD2-CB 4.46Å; L507-E965 HydrophobicContact CD2-CG 4.22Å; L507-E965 HydrophobicContact CG-CG 4.43Å
508	F	94.2	Very high	90.3	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-40.4	177.7	-171.2	-113.1	0	0	0	112.8	N506 L510 L511 V512 A527 I530 L531 L884 L888 R961 A964	N506-F508 VanDerWaalsContact C-N 3.29Å; N506-F508 PolarHBondContact O-N 3.5Å; F508-L510 PolarHBondContact O-N 3.19Å; F508-L511 PolarHBondContact O-N 2.63Å; F508-V512 HydrophobicContact CD1-CG2 4.29Å; F508-V512 HydrophobicContact CD2-CG2 4.48Å; F508-V512 HydrophobicContact CE1-CG2 4Å; F508-V512 HydrophobicContact CE2-CG2 4.19Å; F508-V512 HydrophobicContact CZ-CG2 3.94Å; F508-V512 WeakPolarHBondContact O-CB 3.42Å; F508-V512 VanDerWaalsContact O-CG2 3.23Å; F508-V512 WeakPolarHBondContact O-CG2 3.27Å; F508-V512 PolarHBondContact O-N 3.36Å; F508-A527 HydrophobicContact CE1-CB 4.09Å; F508-A527 HydrophobicContact CZ-CB 3.95Å; F508-I530 HydrophobicContact CE2-CG2 3.99Å; F508-L531 HydrophobicContact CE2-CD2 3.77Å; F508-L531 HydrophobicContact CE2-CG 4.18Å; F508-L531 HydrophobicContact CZ-CD1 4.27Å; F508-L531 HydrophobicContact CZ-CD2 4.03Å; F508-L531 HydrophobicContact CZ-CG 4.07Å; F508-L884 HydrophobicContact CD1-CD1 4.25Å; F508-L884 HydrophobicContact CE1-CD1 4.1Å; F508-L888 HydrophobicContact CD1-CD2 4.45Å; F508-R961 VanDerWaalsContact CG-CZ 3.46Å; F508-A964 HydrophobicContact CD2-CB 4.16Å; F508-A964 HydrophobicContact CE2-CB 4.47Å
509	R	91.4	Very high	89.9	Confident	35 Å²	35	42 Å²	42	13%	0.132	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-43.8	174.6	-171.6	-177	-174.2	-131	-2.4	110.8	N506 L507 V512 C513 R887 L888 E889 E894	N506-R509 HydrophobicContact CB-CB 4.44Å; N506-R509 WeakPolarHBondContact O-CA 3.32Å; N506-R509 VanDerWaalsContact O-CB 3.25Å; N506-R509 WeakPolarHBondContact O-CB 3.13Å; N506-R509 PolarHBondContact O-N 2.91Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 2.95Å; R509-V512 PolarHBondContact O-N 2.82Å; R509-C513 VanDerWaalsContact O-CB 3.31Å; R509-C513 WeakPolarHBondContact O-CB 3.44Å; R509-C513 PolarHBondContact O-N 3.12Å; R509-C513 PolarHBondContact O-SG 2.78Å; R509-R887 WeakPolarHBondContact CD-O 3.05Å; R509-R887 WeakPolarHBondContact CG-O 3.43Å; R509-R887 PolarHBondContact NE-O 2.82Å; R509-R887 VanDerWaalsContact NE-O 3.12Å; R509-L888 HydrophobicContact CB-CD2 4.18Å; R509-L888 HydrophobicContact CG-CD2 4.2Å; R509-E889 PolarHBondContact NH2-O 3.04Å; R509-E894 IonicContact CZ-OE1 2.84Å; R509-E894 IonicContact CZ-OE2 2.73Å; R509-E894 IonicContact NH1-OE1 3.81Å; R509-E894 PolarHBondContact NH1-OE1 3.38Å; R509-E894 IonicContact NH1-OE2 3.37Å; R509-E894 IonicContact NH2-OE1 3.85Å; R509-E894 PolarHBondContact NH2-OE1 2.81Å; R509-E894 IonicContact NH2-OE2 3.52Å; R509-E894 PolarHBondContact NH2-OE2 2.81Å
510	L	91.7	Very high	89.2	Confident	29 Å²	29	36.4 Å²	36.4	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-44.8	177.3	179.9	61.2	0	0	0	112.2	Q504 N506 L507 F508 C513 S514 I896 I899	Q504-L510 HydrophobicContact CB-CD2 4.18Å; Q504-L510 HydrophobicContact CG-CD2 4.06Å; N506-L510 PolarHBondContact O-N 2.92Å; L507-L510 WeakPolarHBondContact O-CB 3.49Å; L507-L510 PolarHBondContact O-N 2.83Å; L507-L510 VanDerWaalsContact O-N 3.11Å; F508-L510 PolarHBondContact O-N 3.19Å; L510-C513 PolarHBondContact O-N 3.24Å; L510-S514 VanDerWaalsContact O-CB 3.25Å; L510-S514 WeakPolarHBondContact O-CB 3.5Å; L510-S514 PolarHBondContact O-N 2.86Å; L510-S514 PolarHBondContact O-OG 2.69Å; L510-I896 HydrophobicContact CD1-CG2 3.66Å; L510-I899 HydrophobicContact CD1-CG1 4.41Å; L510-I899 HydrophobicContact CD2-CD1 3.97Å; L510-I899 HydrophobicContact CD2-CG1 4.07Å; L510-I899 HydrophobicContact CG-CD1 3.87Å; L510-I899 HydrophobicContact CG-CG1 4.01Å
511	L	94.2	Very high	88.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-46.1	175.9	-67.4	167.3	0	0	0	111.5	L507 F508 S514 L515 F534 I899 L904 Y907 A964	L507-L511 HydrophobicContact CD1-CD1 4.01Å; L507-L511 HydrophobicContact CD1-CD2 4.36Å; L507-L511 HydrophobicContact CD1-CG 3.91Å; L507-L511 HydrophobicContact CG-CD1 3.98Å; L507-L511 HydrophobicContact CG-CG 4.37Å; L507-L511 WeakPolarHBondContact O-CG 3.48Å; L507-L511 PolarHBondContact O-N 3.44Å; F508-L511 PolarHBondContact O-N 2.63Å; L511-S514 PolarHBondContact O-N 2.85Å; L511-L515 PolarHBondContact O-N 2.9Å; L511-F534 HydrophobicContact CD1-CE2 4.13Å; L511-F534 HydrophobicContact CD1-CZ 4.1Å; L511-F534 HydrophobicContact CD2-CZ 4.46Å; L511-I899 HydrophobicContact CD2-CD1 3.88Å; L511-L904 HydrophobicContact CD2-CD1 3.42Å; L511-L904 VanDerWaalsContact CD2-CD1 3.42Å; L511-Y907 HydrophobicContact CD1-CE1 4.2Å; L511-Y907 HydrophobicContact CD2-CD1 4.14Å; L511-Y907 HydrophobicContact CD2-CE1 4.05Å; L511-A964 HydrophobicContact CD1-CB 4.16Å; L511-A964 WeakPolarHBondContact CD1-O 3.36Å
512	V	93.9	Very high	88.1	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-43.5	179	170.8	0	0	0	0	112.2	F508 R509 S514 L515 G523 K526 A527 I530 L888	F508-V512 HydrophobicContact CD1-CG2 4.29Å; F508-V512 HydrophobicContact CD2-CG2 4.48Å; F508-V512 HydrophobicContact CE1-CG2 4Å; F508-V512 HydrophobicContact CE2-CG2 4.19Å; F508-V512 HydrophobicContact CZ-CG2 3.94Å; F508-V512 WeakPolarHBondContact O-CB 3.42Å; F508-V512 VanDerWaalsContact O-CG2 3.23Å; F508-V512 WeakPolarHBondContact O-CG2 3.27Å; F508-V512 PolarHBondContact O-N 3.36Å; R509-V512 PolarHBondContact O-N 2.82Å; V512-S514 VanDerWaalsContact C-N 3.3Å; V512-S514 PolarHBondContact O-N 2.95Å; V512-L515 PolarHBondContact O-N 2.88Å; V512-G523 WeakPolarHBondContact CG1-O 3.45Å; V512-K526 HydrophobicContact CG1-CB 3.67Å; V512-A527 HydrophobicContact CG1-CB 4.27Å; V512-A527 HydrophobicContact CG2-CB 3.84Å; V512-I530 HydrophobicContact CG2-CB 4.33Å; V512-I530 HydrophobicContact CG2-CG1 4.27Å; V512-I530 HydrophobicContact CG2-CG2 4.37Å; V512-L888 HydrophobicContact CB-CD2 4.01Å; V512-L888 HydrophobicContact CG1-CD1 4.28Å; V512-L888 HydrophobicContact CG1-CD2 3.95Å; V512-L888 HydrophobicContact CG2-CD2 4.26Å
513	C	89.2	Confident	87.9	Confident	9 Å²	9	32.6 Å²	32.6	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-36.4	175.3	-68	0	0	0	0	111.8	R509 L510 L515 I896 Y898	R509-C513 VanDerWaalsContact O-CB 3.31Å; R509-C513 WeakPolarHBondContact O-CB 3.44Å; R509-C513 PolarHBondContact O-N 3.12Å; R509-C513 PolarHBondContact O-SG 2.78Å; L510-C513 PolarHBondContact O-N 3.24Å; C513-L515 PolarHBondContact O-N 2.9Å; C513-I896 HydrophobicContact CB-CD1 4.28Å; C513-Y898 HydrophobicContact CB-CD1 4.29Å; C513-Y898 HydrophobicContact CB-CE1 3.96Å; C513-Y898 WeakPolarHBondContact O-CE1 3.4Å
514	S	91.1	Very high	87.8	Confident	8 Å²	8	28 Å²	28	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-76	-14.8	-179.4	-56.2	0	0	0	0	114.5	L510 L511 V512 C516 I899	L510-S514 VanDerWaalsContact O-CB 3.25Å; L510-S514 WeakPolarHBondContact O-CB 3.5Å; L510-S514 PolarHBondContact O-N 2.86Å; L510-S514 PolarHBondContact O-OG 2.69Å; L511-S514 PolarHBondContact O-N 2.85Å; V512-S514 VanDerWaalsContact C-N 3.3Å; V512-S514 PolarHBondContact O-N 2.95Å; S514-C516 PolarHBondContact O-N 3.06Å; S514-I899 PolarHBondContact OG-N 2.9Å
515	L	91.1	Very high	88	Confident	5 Å²	5	24 Å²	24	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-60	-43.4	179.8	177.9	133.8	0	0	0	112.6	L511 V512 C513 K526 L529 I530 L533 L684 A687 A688 L691	L511-L515 PolarHBondContact O-N 2.9Å; V512-L515 PolarHBondContact O-N 2.88Å; C513-L515 PolarHBondContact O-N 2.9Å; L515-K526 HydrophobicContact CD2-CB 4.36Å; L515-K526 HydrophobicContact CD2-CG 4.09Å; L515-L529 HydrophobicContact CD1-CB 3.77Å; L515-L529 HydrophobicContact CD2-CB 4.49Å; L515-L529 HydrophobicContact CD2-CD1 4.1Å; L515-I530 HydrophobicContact CB-CD1 4.04Å; L515-I530 HydrophobicContact CB-CG1 3.99Å; L515-I530 HydrophobicContact CD1-CD1 3.8Å; L515-I530 HydrophobicContact CD1-CG1 3.7Å; L515-I530 HydrophobicContact CG-CG1 4.46Å; L515-L533 HydrophobicContact CD1-CD1 3.96Å; L515-L684 HydrophobicContact CD2-CD2 4.38Å; L515-A687 WeakPolarHBondContact O-CB 3.46Å; L515-A688 HydrophobicContact CD1-CB 4.4Å; L515-L691 HydrophobicContact CB-CD1 4.28Å; L515-L691 HydrophobicContact CD1-CD1 4.4Å; L515-L691 HydrophobicContact CG-CD1 4.05Å
516	C	89.4	Confident	88.4	Confident	4 Å²	4	20.4 Å²	20.4	3%	0.027	12%	0.121	C	C	.	.			trans	-152.2	87.8	177.1	-169.4	0	0	0	0	110.6	S514 S518 I519 K526 L684 A687	S514-C516 PolarHBondContact O-N 3.06Å; C516-S518 PolarHBondContact O-N 2.97Å; C516-S518 PolarHBondContact SG-OG 3.43Å; C516-I519 PolarHBondContact O-N 2.78Å; C516-K526 WeakPolarHBondContact O-CE 3.37Å; C516-K526 PolarHBondContact O-NZ 3.27Å; C516-L684 HydrophobicContact CB-CD2 4.2Å; C516-A687 HydrophobicContact CB-CB 3.71Å
517	P	84.2	Confident	88.8	Confident	35 Å²	35	17.8 Å²	17.8	23%	0.227	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.7	178.7	-22.5	34.9	0	0	0	113.5	I519 H831 W840 Y898	P517-I519 VanDerWaalsContact C-N 3.26Å; P517-I519 PolarHBondContact O-N 2.97Å; P517-H831 PolarHBondContact O-CE1 3.17Å; P517-H831 PolarHBondContact O-NE2 3.47Å; P517-W840 HydrophobicContact CB-CH2 3.75Å; P517-W840 HydrophobicContact CB-CZ2 3.89Å; P517-Y898 HydrophobicContact CB-CD1 4.15Å; P517-Y898 HydrophobicContact CB-CD2 4.25Å; P517-Y898 HydrophobicContact CB-CE1 4.09Å; P517-Y898 HydrophobicContact CB-CE2 4.2Å; P517-Y898 HydrophobicContact CB-CG 4.22Å; P517-Y898 HydrophobicContact CG-CD1 3.86Å; P517-Y898 HydrophobicContact CG-CD2 4.42Å; P517-Y898 HydrophobicContact CG-CE1 4.25Å; P517-Y898 HydrophobicContact CG-CG 3.94Å
518	S	81.9	Confident	88.9	Confident	49 Å²	49	17.4 Å²	17.4	34%	0.343	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-5.2	179.5	63.4	0	0	0	0	114.5	C516 H831	C516-S518 PolarHBondContact O-N 2.97Å; C516-S518 PolarHBondContact SG-OG 3.43Å; S518-H831 WeakPolarHBondContact CA-NE2 3.39Å; S518-H831 PolarHBondContact O-NE2 3.29Å
519	I	83.6	Confident	89	Confident	22 Å²	22	17.3 Å²	17.3	11%	0.113	10%	0.104	C	C	.	.	S	Bend	trans	-114.4	122.1	175.2	-66.5	176.4	0	0	0	108.7	C516 P517 K526 Q683 L684 H831	C516-I519 PolarHBondContact O-N 2.78Å; P517-I519 VanDerWaalsContact C-N 3.26Å; P517-I519 PolarHBondContact O-N 2.97Å; I519-K526 PolarHBondContact O-NZ 2.99Å; I519-Q683 HydrophobicContact CD1-CB 4.04Å; I519-Q683 HydrophobicContact CD1-CG 4.06Å; I519-L684 HydrophobicContact CD1-CD2 3.8Å; I519-L684 HydrophobicContact CD1-CG 3.67Å; I519-L684 HydrophobicContact CG2-CD2 4.5Å; I519-H831 PolarHBondContact N-NE2 3.34Å
520	C	77.3	Confident	89.2	Confident	31 Å²	31	15.6 Å²	15.6	21%	0.209	10%	0.098	C	C	.	.			trans	-68.6	147.6	178.7	-164.3	0	0	0	0	111.8	L828 H831	C520-L828 HydrophobicContact CB-CD1 4.2Å; C520-H831 HydrophobicContact CB-CB 4.37Å
521	G	77.2	Confident	89.4	Confident	32 Å²	32	14.3 Å²	14.3	33%	0.33	9%	0.091	S	C	.	.	S	Bend	trans	56.3	-142.3	174.3	0	0	0	0	0	115.4	G523 K526	G521-G523 PolarHBondContact O-N 3.25Å; G521-K526 VanDerWaalsContact O-CE 3.31Å; G521-K526 WeakPolarHBondContact O-CE 3.43Å; G521-K526 PolarHBondContact O-NZ 2.96Å
522	R	83.1	Confident	89.5	Confident	59 Å²	59	14.5 Å²	14.5	22%	0.223	9%	0.093	C	C	.	.			trans	57.8	42.2	174.4	-60.7	-179.1	-179	-176.3	-0.2	114.5	L524 I525 K526 L679	R522-L524 PolarHBondContact O-N 2.89Å; R522-I525 HydrophobicContact CB-CD1 4.24Å; R522-I525 HydrophobicContact CG-CD1 4.46Å; R522-I525 PolarHBondContact O-N 3.42Å; R522-K526 PolarHBondContact O-N 3.33Å; R522-L679 PolarHBondContact NH1-O 3.35Å
523	G	87.1	Confident	89.5	Confident	13 Å²	13	14.5 Å²	14.5	13%	0.134	9%	0.093	C	C	.	.	H	α-helix	trans	-53.1	-48.9	-176.6	0	0	0	0	0	114.1	V512 G521 I525 K526 A527	V512-G523 WeakPolarHBondContact CG1-O 3.45Å; G521-G523 PolarHBondContact O-N 3.25Å; G523-I525 PolarHBondContact O-N 2.89Å; G523-K526 CarbonylContact O-C 3.57Å; G523-K526 PolarHBondContact O-N 3.2Å; G523-A527 WeakPolarHBondContact O-CB 3.43Å; G523-A527 PolarHBondContact O-N 2.97Å
524	L	90.2	Very high	89.7	Confident	18 Å²	18	14 Å²	14	9%	0.094	9%	0.09	C	C	.	.	H	α-helix	trans	-59.4	-43	-178.7	-64.2	172	0	0	0	112.9	R522 A527 G528 L884 L981	R522-L524 PolarHBondContact O-N 2.89Å; L524-A527 WeakPolarHBondContact O-CB 3.35Å; L524-A527 PolarHBondContact O-N 3.32Å; L524-G528 PolarHBondContact O-N 3.1Å; L524-L884 HydrophobicContact CD2-CD2 4.3Å; L524-L884 HydrophobicContact CD2-CG 4.34Å; L524-L981 HydrophobicContact CB-CD1 4.09Å; L524-L981 HydrophobicContact CD2-CD1 4.14Å; L524-L981 WeakPolarHBondContact O-CD1 3.33Å
525	I	92.4	Very high	89.7	Confident	1 Å²	1	14 Å²	14	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-68.4	-41.1	-180	-57.8	160	0	0	0	110.3	R522 G523 A527 G528 L529 I673 L684 F814 L816	R522-I525 HydrophobicContact CB-CD1 4.24Å; R522-I525 HydrophobicContact CG-CD1 4.46Å; R522-I525 PolarHBondContact O-N 3.42Å; G523-I525 PolarHBondContact O-N 2.89Å; I525-A527 VanDerWaalsContact C-N 3.31Å; I525-A527 PolarHBondContact O-N 2.7Å; I525-G528 PolarHBondContact O-N 2.98Å; I525-L529 WeakPolarHBondContact O-CG 3.06Å; I525-L529 PolarHBondContact O-N 3.26Å; I525-L529 VanDerWaalsContact O-N 3.07Å; I525-I673 HydrophobicContact CG2-CD1 4.01Å; I525-I673 HydrophobicContact CG2-CG1 4.46Å; I525-L684 HydrophobicContact CG2-CD1 3.99Å; I525-F814 HydrophobicContact CB-CG 4.41Å; I525-F814 HydrophobicContact CG1-CB 4.09Å; I525-F814 HydrophobicContact CG1-CD1 3.79Å; I525-F814 HydrophobicContact CG1-CE1 4.36Å; I525-F814 HydrophobicContact CG1-CG 3.88Å; I525-F814 HydrophobicContact CG2-CD2 4.18Å; I525-F814 HydrophobicContact CG2-CG 4.27Å; I525-L816 HydrophobicContact CD1-CD1 3.73Å; I525-L816 HydrophobicContact CD1-CD2 3.88Å; I525-L816 HydrophobicContact CD1-CG 3.63Å; I525-L816 HydrophobicContact CG1-CD1 4.49Å
526	K	94.1	Very high	89.5	Confident	10 Å²	10	13.9 Å²	13.9	4%	0.043	9%	0.09	C	C	.	.	H	α-helix	trans	-64	-35.3	172.9	-69.1	173.4	178.4	169.5	0	111.7	V512 L515 C516 I519 G521 R522 G523 L529 I530 L684	V512-K526 HydrophobicContact CG1-CB 3.67Å; L515-K526 HydrophobicContact CD2-CB 4.36Å; L515-K526 HydrophobicContact CD2-CG 4.09Å; C516-K526 WeakPolarHBondContact O-CE 3.37Å; C516-K526 PolarHBondContact O-NZ 3.27Å; I519-K526 PolarHBondContact O-NZ 2.99Å; G521-K526 VanDerWaalsContact O-CE 3.31Å; G521-K526 WeakPolarHBondContact O-CE 3.43Å; G521-K526 PolarHBondContact O-NZ 2.96Å; R522-K526 PolarHBondContact O-N 3.33Å; G523-K526 CarbonylContact O-C 3.57Å; G523-K526 PolarHBondContact O-N 3.2Å; K526-L529 PolarHBondContact O-N 2.95Å; K526-I530 WeakPolarHBondContact O-CB 3.09Å; K526-I530 WeakPolarHBondContact O-CG1 3.42Å; K526-I530 PolarHBondContact O-N 3.49Å; K526-L684 HydrophobicContact CG-CD2 4.08Å
527	A	95	Very high	89.2	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-46.7	174.2	0	0	0	0	0	112.1	F508 V512 G523 L524 I525 L529 I530 L531 L888	F508-A527 HydrophobicContact CE1-CB 4.09Å; F508-A527 HydrophobicContact CZ-CB 3.95Å; V512-A527 HydrophobicContact CG1-CB 4.27Å; V512-A527 HydrophobicContact CG2-CB 3.84Å; G523-A527 WeakPolarHBondContact O-CB 3.43Å; G523-A527 PolarHBondContact O-N 2.97Å; L524-A527 WeakPolarHBondContact O-CB 3.35Å; L524-A527 PolarHBondContact O-N 3.32Å; I525-A527 VanDerWaalsContact C-N 3.31Å; I525-A527 PolarHBondContact O-N 2.7Å; A527-L529 VanDerWaalsContact C-N 3.32Å; A527-L529 PolarHBondContact O-N 3.11Å; A527-I530 PolarHBondContact O-N 2.89Å; A527-L531 WeakPolarHBondContact O-CB 3.41Å; A527-L531 VanDerWaalsContact O-CG 3.25Å; A527-L531 WeakPolarHBondContact O-CG 3.48Å; A527-L531 PolarHBondContact O-N 3.17Å; A527-L888 HydrophobicContact CB-CD1 3.83Å
528	G	94.5	Very high	88.8	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.2	-41.7	173.7	0	0	0	0	0	113.1	L524 I525 A532	L524-G528 PolarHBondContact O-N 3.1Å; I525-G528 PolarHBondContact O-N 2.98Å; G528-A532 WeakPolarHBondContact O-CB 3.4Å; G528-A532 PolarHBondContact O-N 3.4Å
529	L	95.8	Very high	87.7	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-64.5	-47.3	173.5	-73.1	173	0	0	0	112.5	L515 I525 K526 A527 L531 A532 L533 V671 I673 L684 A688 L780	L515-L529 HydrophobicContact CD1-CB 3.77Å; L515-L529 HydrophobicContact CD2-CB 4.49Å; L515-L529 HydrophobicContact CD2-CD1 4.1Å; I525-L529 WeakPolarHBondContact O-CG 3.06Å; I525-L529 PolarHBondContact O-N 3.26Å; I525-L529 VanDerWaalsContact O-N 3.07Å; K526-L529 PolarHBondContact O-N 2.95Å; A527-L529 VanDerWaalsContact C-N 3.32Å; A527-L529 PolarHBondContact O-N 3.11Å; L529-L531 PolarHBondContact O-N 3Å; L529-A532 PolarHBondContact O-N 3.3Å; L529-L533 WeakPolarHBondContact O-CG 3.25Å; L529-L533 PolarHBondContact O-N 2.85Å; L529-V671 HydrophobicContact CD2-CG1 4.38Å; L529-I673 HydrophobicContact CD1-CD1 3.92Å; L529-I673 HydrophobicContact CD2-CD1 4.07Å; L529-I673 HydrophobicContact CG-CD1 4.19Å; L529-L684 HydrophobicContact CD1-CB 4.04Å; L529-A688 HydrophobicContact CD1-CB 4.42Å; L529-A688 HydrophobicContact CD2-CB 4.21Å; L529-L780 HydrophobicContact CD2-CD1 4.42Å; L529-L780 HydrophobicContact CD2-CD2 4.29Å
530	I	95.7	Very high	86.2	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.9	-47.2	176	-85.1	-64.8	0	0	0	111.3	F508 V512 L515 K526 A527 A532 L533 F534	F508-I530 HydrophobicContact CE2-CG2 3.99Å; V512-I530 HydrophobicContact CG2-CB 4.33Å; V512-I530 HydrophobicContact CG2-CG1 4.27Å; V512-I530 HydrophobicContact CG2-CG2 4.37Å; L515-I530 HydrophobicContact CB-CD1 4.04Å; L515-I530 HydrophobicContact CB-CG1 3.99Å; L515-I530 HydrophobicContact CD1-CD1 3.8Å; L515-I530 HydrophobicContact CD1-CG1 3.7Å; L515-I530 HydrophobicContact CG-CG1 4.46Å; K526-I530 WeakPolarHBondContact O-CB 3.09Å; K526-I530 WeakPolarHBondContact O-CG1 3.42Å; K526-I530 PolarHBondContact O-N 3.49Å; A527-I530 PolarHBondContact O-N 2.89Å; I530-A532 VanDerWaalsContact C-N 3.3Å; I530-A532 PolarHBondContact O-N 3.07Å; I530-L533 WeakPolarHBondContact O-CB 3.37Å; I530-L533 PolarHBondContact O-N 2.69Å; I530-L533 VanDerWaalsContact O-N 3.15Å; I530-F534 HydrophobicContact CG2-CD2 3.78Å; I530-F534 HydrophobicContact CG2-CE2 3.67Å; I530-F534 VanDerWaalsContact O-CD2 3.24Å; I530-F534 WeakPolarHBondContact O-CD2 3.3Å; I530-F534 PolarHBondContact O-N 3.29Å; I530-F534 VanDerWaalsContact O-N 3.08Å
531	L	96.3	Very high	84.6	Confident	2 Å²	2	21.2 Å²	21.2	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-36.8	179.3	-67.8	172.7	0	0	0	111.7	F508 A527 L529 F534 G535 L957 A960 R961 V978 L981	F508-L531 HydrophobicContact CE2-CD2 3.77Å; F508-L531 HydrophobicContact CE2-CG 4.18Å; F508-L531 HydrophobicContact CZ-CD1 4.27Å; F508-L531 HydrophobicContact CZ-CD2 4.03Å; F508-L531 HydrophobicContact CZ-CG 4.07Å; A527-L531 WeakPolarHBondContact O-CB 3.41Å; A527-L531 VanDerWaalsContact O-CG 3.25Å; A527-L531 WeakPolarHBondContact O-CG 3.48Å; A527-L531 PolarHBondContact O-N 3.17Å; L529-L531 PolarHBondContact O-N 3Å; L531-F534 PolarHBondContact O-N 2.95Å; L531-G535 PolarHBondContact O-N 2.94Å; L531-L957 HydrophobicContact CB-CD2 3.9Å; L531-L957 HydrophobicContact CD1-CD2 4.34Å; L531-A960 HydrophobicContact CB-CB 4.21Å; L531-A960 HydrophobicContact CD2-CB 4.04Å; L531-A960 VanDerWaalsContact O-CB 3.31Å; L531-A960 WeakPolarHBondContact O-CB 3.16Å; L531-R961 HydrophobicContact CD2-CB 3.7Å; L531-V978 HydrophobicContact CD1-CG2 4.43Å; L531-L981 HydrophobicContact CD1-CD2 3.55Å
532	A	95.4	Very high	82.9	Confident	4 Å²	4	23.9 Å²	23.9	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-69.4	-31.9	174.4	0	0	0	0	0	113.5	G528 L529 I530 V671 L780	G528-A532 WeakPolarHBondContact O-CB 3.4Å; G528-A532 PolarHBondContact O-N 3.4Å; L529-A532 PolarHBondContact O-N 3.3Å; I530-A532 VanDerWaalsContact C-N 3.3Å; I530-A532 PolarHBondContact O-N 3.07Å; A532-V671 HydrophobicContact CB-CG2 3.6Å; A532-L780 HydrophobicContact CB-CD2 3.76Å
533	L	94.4	Very high	80.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.3	-36	173	-68.6	176.7	0	0	0	112.7	L515 L529 I530 A688 L691 A692 L780 I908 R912	L515-L533 HydrophobicContact CD1-CD1 3.96Å; L529-L533 WeakPolarHBondContact O-CG 3.25Å; L529-L533 PolarHBondContact O-N 2.85Å; I530-L533 WeakPolarHBondContact O-CB 3.37Å; I530-L533 PolarHBondContact O-N 2.69Å; I530-L533 VanDerWaalsContact O-N 3.15Å; L533-A688 HydrophobicContact CD1-CB 4.39Å; L533-L691 HydrophobicContact CD1-CB 4.06Å; L533-A692 HydrophobicContact CD2-CB 3.74Å; L533-L780 HydrophobicContact CD2-CD1 4.31Å; L533-I908 HydrophobicContact CB-CD1 4.34Å; L533-I908 HydrophobicContact CD1-CD1 4.23Å; L533-R912 WeakPolarHBondContact O-CD 3.45Å
534	F	94.7	Very high	78.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-77.3	-41.4	174.5	-75.8	-65.9	0	0	0	112.9	L511 I530 L531 Y907 I908 S911 R912 A960 R963 A964	L511-F534 HydrophobicContact CD1-CE2 4.13Å; L511-F534 HydrophobicContact CD1-CZ 4.1Å; L511-F534 HydrophobicContact CD2-CZ 4.46Å; I530-F534 HydrophobicContact CG2-CD2 3.78Å; I530-F534 HydrophobicContact CG2-CE2 3.67Å; I530-F534 VanDerWaalsContact O-CD2 3.24Å; I530-F534 WeakPolarHBondContact O-CD2 3.3Å; I530-F534 PolarHBondContact O-N 3.29Å; I530-F534 VanDerWaalsContact O-N 3.08Å; L531-F534 PolarHBondContact O-N 2.95Å; F534-Y907 AromaticContact CE1-CD1 3.94Å; F534-Y907 HydrophobicContact CE1-CD1 3.94Å; F534-Y907 AromaticContact CE1-CE1 3.89Å; F534-Y907 HydrophobicContact CE1-CE1 3.89Å; F534-Y907 AromaticContact CZ-CD1 3.86Å; F534-Y907 HydrophobicContact CZ-CD1 3.86Å; F534-Y907 AromaticContact CZ-CE1 3.71Å; F534-Y907 HydrophobicContact CZ-CE1 3.71Å; F534-I908 HydrophobicContact CD1-CG1 4.33Å; F534-I908 HydrophobicContact CE1-CB 4.33Å; F534-I908 HydrophobicContact CE1-CG1 3.79Å; F534-I908 HydrophobicContact CZ-CG1 3.9Å; F534-S911 WeakPolarHBondContact CD1-OG 3.43Å; F534-S911 WeakPolarHBondContact CE1-OG 3.32Å; F534-R912 WeakPolarHBondContact O-CD 3.11Å; F534-R912 VanDerWaalsContact O-CG 3.29Å; F534-R912 WeakPolarHBondContact O-CG 3.33Å; F534-A960 HydrophobicContact CB-CB 4.37Å; F534-R963 HydrophobicContact CB-CG 4.4Å; F534-R963 HydrophobicContact CD1-CG 4.2Å; F534-R963 WeakPolarHBondContact O-CD 3.3Å; F534-R963 PolarHBondContact O-NH1 3.47Å; F534-A964 HydrophobicContact CD2-CB 3.62Å; F534-A964 HydrophobicContact CE2-CB 3.49Å; F534-A964 VanDerWaalsContact CE2-CB 3.49Å; F534-A964 HydrophobicContact CG-CB 4.24Å; F534-A964 HydrophobicContact CZ-CB 4.02Å
535	G	90.4	Very high	76.2	Confident	7 Å²	7	36.6 Å²	36.6	7%	0.072	20%	0.197	C	C	.	.			trans	64.8	165.1	-179.2	0	0	0	0	0	115.1	L531 A960 R963	L531-G535 PolarHBondContact O-N 2.94Å; G535-A960 WeakPolarHBondContact O-CA 3.46Å; G535-A960 WeakPolarHBondContact O-CB 3.25Å; G535-R963 PolarHBondContact O-NH1 2.75Å
536	G	85.7	Confident	73.7	Confident	2 Å²	2	44.3 Å²	44.3	2%	0.021	23%	0.231	C	C	.	.			trans	-77.3	-173.5	173.7	0	0	0	0	0	113.5	S667 R956 R963	G536-S667 WeakPolarHBondContact CA-O 3.31Å; G536-S667 PolarHBondContact N-O 2.81Å; G536-R956 WeakPolarHBondContact CA-O 3.41Å; G536-R963 PolarHBondContact O-NH1 2.98Å
537	T	84.8	Confident	71.1	Confident	20 Å²	20	52.1 Å²	52.1	12%	0.123	26%	0.26	C	S	.	.			trans	-84.9	143	175.5	63.6	0	0	0	0	112.1	S539 S667 M916 P917 Q959	T537-S539 PolarHBondContact O-N 2.87Å; T537-S667 WeakPolarHBondContact O-CB 3.48Å; T537-M916 HydrophobicContact CG2-CB 4.05Å; T537-P917 HydrophobicContact CG2-CG 4.2Å; T537-P917 WeakPolarHBondContact CG2-O 3.38Å; T537-Q959 PolarHBondContact OG1-NE2 2.96Å; T537-Q959 VanDerWaalsContact OG1-NE2 3.11Å; T537-Q959 PolarHBondContact OG1-OE1 3.49Å
538	Q	74.2	Confident	68.6	Low	53 Å²	53	60 Å²	60	25%	0.248	29%	0.29	C	S	.	.			trans	-83	100.5	162.3	-73.8	178.8	78.2	0	0	107.1	T540 S667	Q538-T540 PolarHBondContact O-N 3.2Å; Q538-S667 VanDerWaalsContact CG-OG 3.29Å; Q538-S667 WeakPolarHBondContact CG-OG 3.4Å
539	S	59.1	Low	66.5	Low	69 Å²	69	64 Å²	64	48%	0.483	31%	0.31	S	S	.	.			trans	-76.6	74.4	174.4	171.8	0	0	0	0	110.1	T537 T541	T537-S539 PolarHBondContact O-N 2.87Å; S539-T541 PolarHBondContact O-N 2.41Å
540	T	51.9	Low	63.9	Low	68 Å²	68	72.9 Å²	72.9	42%	0.417	34%	0.344	S	S	.	.			trans	-61.5	126	161.9	61.6	0	0	0	0	107.8	Q538 D542	Q538-T540 PolarHBondContact O-N 3.2Å; T540-D542 WeakPolarHBondContact CB-OD2 3.45Å; T540-D542 PolarHBondContact O-N 3.36Å; T540-D542 PolarHBondContact OG1-OD2 3.49Å
541	T	44.4	Very low	61.6	Low	85 Å²	85	78.7 Å²	78.7	52%	0.521	37%	0.374	S	S	.	.			trans	-81	39.4	-176.9	37.2	0	0	0	0	112.4	S539 R543	S539-T541 PolarHBondContact O-N 2.41Å; T541-R543 PolarHBondContact O-N 3.41Å
542	D	41.5	Very low	59.2	Low	88 Å²	88	85.9 Å²	85.9	47%	0.471	41%	0.405	S	S	.	.			trans	-60.1	106.2	174.8	-71.7	-59.2	0	0	0	110	T540 N544 V545	T540-D542 WeakPolarHBondContact CB-OD2 3.45Å; T540-D542 PolarHBondContact O-N 3.36Å; T540-D542 PolarHBondContact OG1-OD2 3.49Å; D542-N544 PolarHBondContact O-N 2.74Å; D542-V545 HydrophobicContact CB-CG2 4.16Å; D542-V545 PolarHBondContact O-N 3.15Å
543	R	36.9	Very low	56.8	Low	175 Å²	175	91.1 Å²	91.1	66%	0.66	43%	0.429	S	S	*	.	H	α-helix	trans	-53.1	-22.1	180	-66.8	178.3	170	179.7	-6.2	111.9	T541 R547 N658	T541-R543 PolarHBondContact O-N 3.41Å; R543-R547 PolarHBondContact O-N 3.4Å; R543-N658 PolarHBondContact NH2-OD1 3.42Å
544	N	40.6	Very low	54.5	Low	105 Å²	105	97.6 Å²	97.6	56%	0.561	46%	0.459	S	S	*	.	H	α-helix	trans	-70.6	-32.9	175.7	-68.1	-24.2	0	0	0	115	D542 R547 R548	D542-N544 PolarHBondContact O-N 2.74Å; N544-R547 WeakPolarHBondContact O-CB 3.22Å; N544-R547 PolarHBondContact O-N 3.36Å; N544-R548 PolarHBondContact O-N 3.13Å
545	V	42.7	Very low	52	Low	77 Å²	77	104.1 Å²	104.1	47%	0.467	49%	0.488	S	S	.	.	H	α-helix	trans	-69.8	-42.9	179.5	180	0	0	0	0	110.5	D542 R547 R548 I549	D542-V545 HydrophobicContact CB-CG2 4.16Å; D542-V545 PolarHBondContact O-N 3.15Å; V545-R547 PolarHBondContact O-N 3.44Å; V545-R548 PolarHBondContact O-N 2.85Å; V545-R548 VanDerWaalsContact O-N 3.11Å; V545-I549 HydrophobicContact CG1-CD1 4.01Å; V545-I549 HydrophobicContact CG1-CG1 4.48Å; V545-I549 WeakPolarHBondContact O-CG1 2.83Å; V545-I549 PolarHBondContact O-N 3.34Å
546	K	39.1	Very low	49.7	Very low	164 Å²	164	112.2 Å²	112.2	71%	0.713	52%	0.516	S	S	*	.	H	α-helix	trans	-60.5	-32.1	172.9	-75.1	-174.5	175.5	-179.7	0	112.6	R550	K546-R550 WeakPolarHBondContact O-CB 3.38Å; K546-R550 PolarHBondContact O-N 3.04Å; K546-R550 VanDerWaalsContact O-N 3.09Å
547	R	40.2	Very low	47.6	Very low	174 Å²	174	117.4 Å²	117.4	66%	0.657	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-48.8	169.9	-79.4	178.6	166.5	164.8	-4.8	112	R543 N544 V545 I549 R550 L551	R543-R547 PolarHBondContact O-N 3.4Å; N544-R547 WeakPolarHBondContact O-CB 3.22Å; N544-R547 PolarHBondContact O-N 3.36Å; V545-R547 PolarHBondContact O-N 3.44Å; R547-I549 VanDerWaalsContact C-N 3.33Å; R547-I549 PolarHBondContact O-N 2.87Å; R547-R550 PolarHBondContact O-N 3.41Å; R547-L551 WeakPolarHBondContact O-CB 3.4Å; R547-L551 WeakPolarHBondContact O-CG 3.34Å; R547-L551 PolarHBondContact O-N 3.47Å
548	R	42.2	Very low	45.7	Very low	164 Å²	164	122 Å²	122	62%	0.619	56%	0.559	S	S	*	*	H	α-helix	trans	-60.4	-37.9	177.3	-82.4	-176.2	169.2	148.9	5.4	112.7	D476 N544 V545 K552	D476-R548 IonicContact OD2-CZ 2.74Å; D476-R548 IonicContact OD2-NH1 2.7Å; D476-R548 IonicContact OD2-NH2 2.68Å; D476-R548 PolarHBondContact OD2-NH2 3.17Å; N544-R548 PolarHBondContact O-N 3.13Å; V545-R548 PolarHBondContact O-N 2.85Å; V545-R548 VanDerWaalsContact O-N 3.11Å; R548-K552 PolarHBondContact O-N 3.47Å
549	I	50.4	Low	44.1	Very low	84 Å²	84	123.1 Å²	123.1	43%	0.431	57%	0.567	S	S	.	*	H	α-helix	trans	-69.2	-48.5	176.8	-65	170.8	0	0	0	111.6	V545 R547 L551 K552 Q553	V545-I549 HydrophobicContact CG1-CD1 4.01Å; V545-I549 HydrophobicContact CG1-CG1 4.48Å; V545-I549 WeakPolarHBondContact O-CG1 2.83Å; V545-I549 PolarHBondContact O-N 3.34Å; R547-I549 VanDerWaalsContact C-N 3.33Å; R547-I549 PolarHBondContact O-N 2.87Å; I549-L551 VanDerWaalsContact C-N 3.28Å; I549-L551 PolarHBondContact O-N 3.38Å; I549-K552 PolarHBondContact O-N 2.89Å; I549-K552 VanDerWaalsContact O-N 3.11Å; I549-Q553 PolarHBondContact O-N 2.34Å
550	R	42.1	Very low	43.3	Very low	190 Å²	190	125.9 Å²	125.9	72%	0.717	57%	0.573	S	S	*	*	H	α-helix	trans	-59.1	-38.4	175.8	-80.3	-176.9	170.3	174.7	-3.6	112.3	K546 R547 Q553 H554	K546-R550 WeakPolarHBondContact O-CB 3.38Å; K546-R550 PolarHBondContact O-N 3.04Å; K546-R550 VanDerWaalsContact O-N 3.09Å; R547-R550 PolarHBondContact O-N 3.41Å; R550-Q553 PolarHBondContact O-N 3.42Å; R550-H554 PolarHBondContact O-N 3.4Å
551	L	45.8	Very low	42.8	Very low	122 Å²	122	127.7 Å²	127.7	64%	0.639	58%	0.58	S	S	*	*	H	α-helix	trans	-65.1	-41.2	174	-76.4	164.7	0	0	0	112.6	R547 I549 K555	R547-L551 WeakPolarHBondContact O-CB 3.4Å; R547-L551 WeakPolarHBondContact O-CG 3.34Å; R547-L551 PolarHBondContact O-N 3.47Å; I549-L551 VanDerWaalsContact C-N 3.28Å; I549-L551 PolarHBondContact O-N 3.38Å; L551-K555 WeakPolarHBondContact O-CB 3.14Å; L551-K555 PolarHBondContact O-N 3.48Å
552	K	46.9	Very low	42.6	Very low	152 Å²	152	127.1 Å²	127.1	66%	0.661	57%	0.573	S	S	*	*	H	α-helix	trans	-64.2	-37.7	172.9	-82.7	-172.1	173	-174.3	0	112.6	R548 I549 R556	R548-K552 PolarHBondContact O-N 3.47Å; I549-K552 PolarHBondContact O-N 2.89Å; I549-K552 VanDerWaalsContact O-N 3.11Å; K552-R556 WeakPolarHBondContact O-CB 3.21Å; K552-R556 PolarHBondContact O-N 3.49Å
553	Q	44.8	Very low	42.4	Very low	115 Å²	115	127 Å²	127	54%	0.537	58%	0.575	S	S	.	*	H	α-helix	trans	-68.4	-49.2	177.3	-74.6	175	-33.5	0	0	111.8	I549 R550 K555 R556 Q557	I549-Q553 PolarHBondContact O-N 2.34Å; R550-Q553 PolarHBondContact O-N 3.42Å; Q553-K555 VanDerWaalsContact C-N 3.27Å; Q553-K555 PolarHBondContact O-N 3.35Å; Q553-R556 PolarHBondContact O-N 3.42Å; Q553-Q557 PolarHBondContact O-N 3.39Å
554	H	46.5	Very low	42.3	Very low	136 Å²	136	127.7 Å²	127.7	63%	0.63	58%	0.579	S	S	*	*	H	α-helix	trans	-57.5	-40.3	173.6	-108.9	-67.1	0	0	0	112.2	R550 Q557 H558	R550-H554 PolarHBondContact O-N 3.4Å; H554-Q557 PolarHBondContact O-N 3.4Å; H554-H558 WeakPolarHBondContact O-CB 3.39Å; H554-H558 PolarHBondContact O-N 3.23Å
555	K	42.8	Very low	42	Very low	137 Å²	137	129.4 Å²	129.4	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-67.8	-42	177.4	-162.2	176.5	-180	-177.8	0	112	L551 Q553 Q557 H558 D559	L551-K555 WeakPolarHBondContact O-CB 3.14Å; L551-K555 PolarHBondContact O-N 3.48Å; Q553-K555 VanDerWaalsContact C-N 3.27Å; Q553-K555 PolarHBondContact O-N 3.35Å; K555-Q557 VanDerWaalsContact C-N 3.33Å; K555-Q557 PolarHBondContact O-N 2.92Å; K555-H558 PolarHBondContact O-N 3.5Å; K555-D559 WeakPolarHBondContact O-CB 3.48Å; K555-D559 PolarHBondContact O-N 3.05Å
556	R	41.6	Very low	41.4	Very low	176 Å²	176	131.4 Å²	131.4	66%	0.664	59%	0.592	S	S	*	*	H	α-helix	trans	-60.4	-38.1	173.8	-84.7	-174.2	171.5	170.7	-0	113.2	K552 Q553 Q560	K552-R556 WeakPolarHBondContact O-CB 3.21Å; K552-R556 PolarHBondContact O-N 3.49Å; Q553-R556 PolarHBondContact O-N 3.42Å; R556-Q560 WeakPolarHBondContact O-CB 3.43Å; R556-Q560 VanDerWaalsContact O-CG 3.29Å; R556-Q560 WeakPolarHBondContact O-CG 3.43Å; R556-Q560 PolarHBondContact O-N 3.4Å
557	Q	42.2	Very low	41	Very low	111 Å²	111	130.4 Å²	130.4	52%	0.519	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-50.1	173.8	-71.7	178.2	-62.7	0	0	111	Q553 H554 K555 D559 Q560 D561	Q553-Q557 PolarHBondContact O-N 3.39Å; H554-Q557 PolarHBondContact O-N 3.4Å; K555-Q557 VanDerWaalsContact C-N 3.33Å; K555-Q557 PolarHBondContact O-N 2.92Å; Q557-D559 VanDerWaalsContact C-N 3.29Å; Q557-D559 PolarHBondContact O-N 3.03Å; Q557-Q560 WeakPolarHBondContact O-CA 3.28Å; Q557-Q560 WeakPolarHBondContact O-CB 3.41Å; Q557-Q560 PolarHBondContact O-N 3.45Å; Q557-D561 PolarHBondContact O-N 3.4Å
558	H	43.3	Very low	40.5	Very low	116 Å²	116	128.4 Å²	128.4	54%	0.537	60%	0.597	S	S	.	*	H	α-helix	trans	-61.1	-34.6	178.4	-166.1	-47.7	0	0	0	113.1	H554 K555 L562	H554-H558 WeakPolarHBondContact O-CB 3.39Å; H554-H558 PolarHBondContact O-N 3.23Å; K555-H558 PolarHBondContact O-N 3.5Å; H558-L562 WeakPolarHBondContact ND1-CD1 3.27Å; H558-L562 WeakPolarHBondContact O-CB 3.23Å; H558-L562 VanDerWaalsContact O-CG 3.24Å; H558-L562 WeakPolarHBondContact O-CG 3.49Å; H558-L562 PolarHBondContact O-N 3.49Å
559	D	42.1	Very low	39.9	Very low	77 Å²	77	125.9 Å²	125.9	41%	0.412	60%	0.6	S	S	.	*	H	α-helix	trans	-72.9	-30.9	174.3	-67	-24.4	0	0	0	111.4	K555 Q557 T563	K555-D559 WeakPolarHBondContact O-CB 3.48Å; K555-D559 PolarHBondContact O-N 3.05Å; Q557-D559 VanDerWaalsContact C-N 3.29Å; Q557-D559 PolarHBondContact O-N 3.03Å; D559-T563 WeakPolarHBondContact O-CG2 3.11Å; D559-T563 PolarHBondContact O-N 2.94Å; D559-T563 PolarHBondContact O-OG1 2.82Å
560	Q	40.6	Very low	38.9	Very low	128 Å²	128	131.2 Å²	131.2	60%	0.598	62%	0.623	S	S	*	*	H	α-helix	trans	-71.1	-44.3	173.2	-79.9	177.4	-30.8	0	0	112.2	R556 Q557 L562 T563 Y564	R556-Q560 WeakPolarHBondContact O-CB 3.43Å; R556-Q560 VanDerWaalsContact O-CG 3.29Å; R556-Q560 WeakPolarHBondContact O-CG 3.43Å; R556-Q560 PolarHBondContact O-N 3.4Å; Q557-Q560 WeakPolarHBondContact O-CA 3.28Å; Q557-Q560 WeakPolarHBondContact O-CB 3.41Å; Q557-Q560 PolarHBondContact O-N 3.45Å; Q560-L562 PolarHBondContact O-N 2.89Å; Q560-T563 WeakPolarHBondContact CA-OG1 3.49Å; Q560-T563 PolarHBondContact O-N 3.37Å; Q560-T563 VanDerWaalsContact O-N 3.09Å; Q560-T563 PolarHBondContact O-OG1 3.35Å; Q560-Y564 PolarHBondContact O-N 3.13Å; Q560-Y564 VanDerWaalsContact O-N 3.15Å
561	D	41.7	Very low	38.2	Very low	106 Å²	106	133 Å²	133	57%	0.567	63%	0.629	S	S	*	*	H	α-helix	trans	-59.5	-45.9	176.1	-63.5	-36.6	0	0	0	110.9	Q557 T563 Y564 E565	Q557-D561 PolarHBondContact O-N 3.4Å; D561-T563 PolarHBondContact O-N 3.08Å; D561-Y564 PolarHBondContact O-N 2.88Å; D561-E565 PolarHBondContact O-N 2.78Å; D561-E565 VanDerWaalsContact O-N 3.15Å
562	L	40.4	Very low	37.2	Very low	72 Å²	72	136.1 Å²	136.1	38%	0.377	64%	0.641	S	S	.	*	H	α-helix	trans	-61	-27.7	174.9	-75.6	172.4	0	0	0	113.9	H558 Q560 N566	H558-L562 WeakPolarHBondContact ND1-CD1 3.27Å; H558-L562 WeakPolarHBondContact O-CB 3.23Å; H558-L562 VanDerWaalsContact O-CG 3.24Å; H558-L562 WeakPolarHBondContact O-CG 3.49Å; H558-L562 PolarHBondContact O-N 3.49Å; Q560-L562 PolarHBondContact O-N 2.89Å; L562-N566 PolarHBondContact O-ND2 2.82Å
563	T	36.5	Very low	36.1	Very low	85 Å²	85	135.6 Å²	135.6	52%	0.521	65%	0.65	S	S	.	*	H	α-helix	trans	-83.7	-17.3	175	54.2	0	0	0	0	114.2	D559 Q560 D561 N567	D559-T563 WeakPolarHBondContact O-CG2 3.11Å; D559-T563 PolarHBondContact O-N 2.94Å; D559-T563 PolarHBondContact O-OG1 2.82Å; Q560-T563 WeakPolarHBondContact CA-OG1 3.49Å; Q560-T563 PolarHBondContact O-N 3.37Å; Q560-T563 VanDerWaalsContact O-N 3.09Å; Q560-T563 PolarHBondContact O-OG1 3.35Å; D561-T563 PolarHBondContact O-N 3.08Å; T563-N567 PolarHBondContact O-ND2 2.89Å; T563-N567 VanDerWaalsContact O-ND2 3.08Å
564	Y	35.5	Very low	35.1	Very low	190 Å²	190	138.6 Å²	138.6	75%	0.745	66%	0.661	S	S	*	*	H	α-helix	trans	-82.9	-36.8	171.4	-106	-90.1	0	0	0	112.9	Q560 D561	Q560-Y564 PolarHBondContact O-N 3.13Å; Q560-Y564 VanDerWaalsContact O-N 3.15Å; D561-Y564 PolarHBondContact O-N 2.88Å
565	E	34	Very low	34.1	Very low	142 Å²	142	142 Å²	142	66%	0.664	67%	0.674	S	S	*	*	H	α-helix	trans	-68.2	-38.9	177.7	-68.5	-158.9	125.4	0	0	113.1	D561 N567 N568	D561-E565 PolarHBondContact O-N 2.78Å; D561-E565 VanDerWaalsContact O-N 3.15Å; E565-N567 PolarHBondContact O-N 3.49Å; E565-N567 VanDerWaalsContact O-N 3.16Å; E565-N568 PolarHBondContact O-N 3.07Å
566	N	31.4	Very low	33.2	Very low	119 Å²	119	147.5 Å²	147.5	64%	0.636	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-13.9	-175.4	-85	-65.2	0	0	0	115.1	L562	L562-N566 PolarHBondContact O-ND2 2.82Å
567	N	30.6	Very low	32.2	Very low	142 Å²	142	151 Å²	151	76%	0.759	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-2.9	-179.9	-77.3	-60.6	0	0	0	114.6	T563 E565	T563-N567 PolarHBondContact O-ND2 2.89Å; T563-N567 VanDerWaalsContact O-ND2 3.08Å; E565-N567 PolarHBondContact O-N 3.49Å; E565-N567 VanDerWaalsContact O-N 3.16Å
568	N	30.1	Very low	31.4	Very low	133 Å²	133	157.4 Å²	157.4	71%	0.711	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-8.4	-178.5	-102.5	-43.7	0	0	0	115	E565 H570	E565-N568 PolarHBondContact O-N 3.07Å; N568-H570 PolarHBondContact O-N 2.82Å
569	T	27.9	Very low	30.5	Very low	111 Å²	111	156.8 Å²	156.8	68%	0.681	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	6.9	-168.6	46.9	0	0	0	0	115.7
570	H	30.2	Very low	29.6	Very low	195 Å²	195	161.1 Å²	161.1	90%	0.903	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	1.7	174.8	-124.8	-53.8	0	0	0	115	N568	N568-H570 PolarHBondContact O-N 2.82Å
571	R	26.3	Very low	28.7	Very low	227 Å²	227	160 Å²	160	86%	0.857	76%	0.762	S	S	*	*	S	Bend	trans	-130.8	79	175.2	-84.3	-175.5	165.3	-179.3	-2.7	113.3
572	Q	25.1	Very low	27.9	Very low	188 Å²	188	163 Å²	163	88%	0.879	77%	0.773	S	S	*	*				174	99.9	128	-97.5	174.6	74.8	0	0	113
573	V	23.9	Very low	27.1	Very low	141 Å²	141	168.9 Å²	168.9	86%	0.855	80%	0.798	S	S	*	*			trans	-92.8	96	165.6	178.3	0	0	0	0	109.4
574	K	25.1	Very low	26.5	Very low	179 Å²	179	170.4 Å²	170.4	78%	0.778	81%	0.808	S	S	*	*			trans	164.4	145.1	145.7	-92	153.4	-172.6	173.6	0	113.6
575	K	25.5	Very low	26.1	Very low	208 Å²	208	169.3 Å²	169.3	90%	0.904	81%	0.813	S	S	*	*			trans	72.6	124.3	175	-52.2	172.4	-176.8	174.8	0	113
576	R	24.1	Very low	25.7	Very low	252 Å²	252	169.7 Å²	169.7	95%	0.951	82%	0.819	S	S	*	*			cis	-139.5	156.9	27.3	-97.3	169.5	160.9	150.6	-7.4	113.3
577	R	20.2	Very low	25.9	Very low	248 Å²	248	169.6 Å²	169.6	94%	0.936	83%	0.825	S	S	*	*			trans	-112.6	132.2	159.6	-93.3	-177.6	166	-179.5	-4.8	109.1
578	R	24.9	Very low	25.7	Very low	246 Å²	246	170.7 Å²	170.7	93%	0.928	83%	0.829	S	S	*	*			trans	169.1	140.2	161.5	-99.6	176.7	-173.1	-169.9	0.4	106.7
579	S	25.4	Very low	25.6	Very low	103 Å²	103	171.5 Å²	171.5	72%	0.72	83%	0.834	S	S	*	*			cis	-173.9	135	-21.8	33.5	0	0	0	0	107.7
580	N	21.7	Very low	25.6	Very low	168 Å²	168	169.3 Å²	169.3	90%	0.898	83%	0.833	S	S	*	*			trans	-81.4	140.3	174.4	-75.5	9.2	0	0	0	111.6
581	S	23.2	Very low	25.4	Very low	106 Å²	106	165.6 Å²	165.6	74%	0.741	83%	0.829	S	S	*	*				179	127.8	125.2	55	0	0	0	0	112.9
582	H	24.1	Very low	25.2	Very low	169 Å²	169	161.1 Å²	161.1	78%	0.782	83%	0.827	S	S	*	*			trans	38.7	128.2	148.7	-71.7	-88.3	0	0	0	122.2
583	E	24.2	Very low	25	Very low	195 Å²	195	156.8 Å²	156.8	91%	0.911	82%	0.818	S	S	*	*				-149.6	161.8	99.8	-120.4	171.7	-157.4	0	0	110.9
584	T	22.4	Very low	24.9	Very low	117 Å²	117	160.4 Å²	160.4	72%	0.718	82%	0.817	S	S	*	*			trans	-153.9	132.4	-171.5	45.2	0	0	0	0	111.5
585	I	28	Very low	24.8	Very low	166 Å²	166	163.2 Å²	163.2	85%	0.851	82%	0.823	S	S	*	*			trans	-137.7	147.6	166.7	-60.3	-176.8	0	0	0	109.7
586	D	25.4	Very low	24.6	Very low	150 Å²	150	160.9 Å²	160.9	80%	0.802	82%	0.819	S	S	*	*			trans	-68	167.8	-154.3	-54.2	-56.6	0	0	0	119.9
587	P	35.5	Very low	24.5	Very low	117 Å²	117	152 Å²	152	76%	0.76	81%	0.807	S	S	*	*			trans	-109	167.5	176.2	41.5	-34.5	0	0	0	115.3
588	I	26.9	Very low	24.6	Very low	166 Å²	166	148.8 Å²	148.8	85%	0.851	80%	0.8	S	S	*	*			trans	-172	153.1	158.3	-113.2	162.1	0	0	0	109.2
589	D	28.6	Very low	24.5	Very low	150 Å²	150	146.7 Å²	146.7	80%	0.802	80%	0.798	S	S	*	*			cis	-105.8	-121.3	-7.9	-172.3	27.7	0	0	0	109.6
590	G	27.1	Very low	24.4	Very low	64 Å²	64	148.7 Å²	148.7	66%	0.66	80%	0.796	S	S	*	*			cis	142.5	137.1	-5.5	0	0	0	0	0	113.4
591	S	26	Very low	24.6	Very low	117 Å²	117	147.4 Å²	147.4	82%	0.818	79%	0.789	S	S	*	*			cis	-146.6	-173.5	-22	68.9	0	0	0	0	108.8
592	T	21.3	Very low	24.6	Very low	134 Å²	134	147.5 Å²	147.5	82%	0.822	78%	0.781	S	S	*	*			trans	-119	164	-162.5	55.2	0	0	0	0	116.3
593	S	21.1	Very low	24.7	Very low	97 Å²	97	147.6 Å²	147.6	68%	0.678	78%	0.779	S	S	*	*			trans	89.4	114.6	144.6	-177	0	0	0	0	121.9
594	Y	21.8	Very low	24.8	Very low	216 Å²	216	146.6 Å²	146.6	85%	0.847	78%	0.78	S	S	*	*			trans	18.3	132.4	140.3	-51.3	-82.6	0	0	0	122.8
595	R	22.9	Very low	25.1	Very low	238 Å²	238	147.1 Å²	147.1	90%	0.898	78%	0.779	S	S	*	*				-169.6	176.7	112.8	-112.1	179.4	179.8	166.2	3.1	115.4
596	L	21.3	Very low	24.9	Very low	159 Å²	159	144 Å²	144	83%	0.832	77%	0.767	S	S	*	*			trans	-88.7	173.2	-174	-73.9	78.8	0	0	0	113.8
597	G	22.5	Very low	25	Very low	66 Å²	66	146.2 Å²	146.2	68%	0.68	77%	0.77	S	S	*	*			trans	-66.8	-168.3	162.8	0	0	0	0	0	113.8
598	F	22.4	Very low	24.6	Very low	180 Å²	180	146.8 Å²	146.8	79%	0.789	77%	0.767	S	S	*	*			cis	-143.9	168.4	25.8	-82.6	-109.8	0	0	0	111.2
599	F	23.7	Very low	24.8	Very low	202 Å²	202	142.6 Å²	142.6	89%	0.886	77%	0.765	S	S	*	*				-168.9	155.3	113.8	-115.4	-80.2	0	0	0	112.5
600	Q	22.5	Very low	24.6	Very low	146 Å²	146	143.7 Å²	143.7	68%	0.682	77%	0.771	S	S	*	*			trans	-97.5	154.3	174.6	-62.9	160.1	-94.1	0	0	110.7
601	N	25.2	Very low	24.7	Very low	140 Å²	140	144.2 Å²	144.2	75%	0.749	78%	0.776	S	S	*	*				179	123.4	112.4	-91.4	-10.4	0	0	0	114.4
602	D	24	Very low	24.7	Very low	109 Å²	109	146 Å²	146	58%	0.583	78%	0.776	S	S	*	*				52.3	125.6	127.1	-78	23.1	0	0	0	124.4
603	K	25.4	Very low	24.9	Very low	170 Å²	170	146.9 Å²	146.9	74%	0.739	78%	0.776	S	S	*	*			trans	79.4	116.6	134.3	-67.2	166.2	-179.1	132.4	0	119.9
604	N	27.1	Very low	25.2	Very low	174 Å²	174	150 Å²	150	93%	0.93	79%	0.786	S	S	*	*				-125.3	160.4	124.5	-104.1	-31.6	0	0	0	108.6
605	N	27.9	Very low	25.3	Very low	129 Å²	129	148.7 Å²	148.7	69%	0.69	79%	0.787	S	S	*	*			trans	-140	146.5	-159.2	-160.8	64.4	0	0	0	112.6
606	T	25	Very low	25.5	Very low	100 Å²	100	147 Å²	147	61%	0.613	79%	0.79	S	S	*	*			trans	46.3	124.3	156.3	49.3	0	0	0	0	120.8
607	F	27.8	Very low	25.5	Very low	197 Å²	197	146.8 Å²	146.8	86%	0.864	78%	0.784	S	S	*	*				-142.2	158.3	119.4	-151	-96	0	0	0	110.5
608	D	26	Very low	25.6	Very low	128 Å²	128	152.9 Å²	152.9	68%	0.684	80%	0.795	S	S	*	*			trans	-94.3	171.2	-164.4	-48.7	-79.1	0	0	0	114.4
609	G	30.7	Very low	25.6	Very low	79 Å²	79	150.8 Å²	150.8	81%	0.814	79%	0.785	S	S	*	*			trans	-179.1	96.2	173.3	0	0	0	0	0	112.8
610	D	25.4	Very low	25.7	Very low	172 Å²	172	149.6 Å²	149.6	92%	0.92	78%	0.783	S	S	*	*			trans	-78.8	159.4	177.4	-61.3	-61.2	0	0	0	113.1
611	G	29.7	Very low	25.6	Very low	76 Å²	76	150 Å²	150	78%	0.784	79%	0.785	S	S	*	*			trans	176.6	102.3	169.8	0	0	0	0	0	113
612	D	25.4	Very low	25.7	Very low	153 Å²	153	152 Å²	152	82%	0.818	78%	0.783	S	S	*	*			trans	-108	164.2	171.7	-78.8	-41.5	0	0	0	110.4
613	D	26	Very low	25.6	Very low	153 Å²	153	154 Å²	154	82%	0.818	79%	0.79	S	S	*	*			trans	66.9	152.2	171.9	-51.8	-31.7	0	0	0	115.5
614	D	27.2	Very low	25.5	Very low	164 Å²	164	152.2 Å²	152.2	88%	0.877	79%	0.789	S	S	*	*			cis	-126.2	172.9	16.8	-80	-64.4	0	0	0	114.4
615	E	23.6	Very low	25.5	Very low	188 Å²	188	151.8 Å²	151.8	88%	0.879	79%	0.787	S	S	*	*			trans	-91.8	148.6	171	-55	175.7	135.8	0	0	112.1
616	E	26.4	Very low	25.4	Very low	203 Å²	203	153 Å²	153	95%	0.949	79%	0.794	S	S	*	*			trans	-159.4	144.6	147.2	-122.5	165.8	-155.6	0	0	112.9
617	E	21.7	Very low	25.3	Very low	154 Å²	154	153 Å²	153	72%	0.72	80%	0.798	S	S	*	*			trans	-115.2	145.6	173.5	-61	-174.6	98.9	0	0	110.3	K619	E617-K619 IonicContact OE1-NZ 3.4Å; E617-K619 PolarHBondContact OE1-NZ 2.89Å; E617-K619 IonicContact OE2-NZ 3.72Å; E617-K619 PolarHBondContact OE2-NZ 2.96Å
618	E	25.6	Very low	25.3	Very low	193 Å²	193	151 Å²	151	90%	0.902	79%	0.794	S	S	*	*			trans	-150.3	162.3	157	-128.7	175.4	-150.7	0	0	114.5
619	K	22.1	Very low	25.3	Very low	136 Å²	136	152 Å²	152	59%	0.591	80%	0.799	S	S	*	*			trans	-146.4	174.9	-169.6	-54.9	97.5	-175.5	-171.4	0	108.7	E617	E617-K619 IonicContact OE1-NZ 3.4Å; E617-K619 PolarHBondContact OE1-NZ 2.89Å; E617-K619 IonicContact OE2-NZ 3.72Å; E617-K619 PolarHBondContact OE2-NZ 2.96Å
620	E	25.5	Very low	24.8	Very low	177 Å²	177	155.3 Å²	155.3	83%	0.827	80%	0.798	S	S	*	*			cis	-134.7	144	15.6	-66.8	176.5	158	0	0	108.3
621	E	20.7	Very low	24.9	Very low	156 Å²	156	152.8 Å²	152.8	73%	0.729	80%	0.795	S	S	*	*				76.8	142.2	78.1	-136.5	-172.6	-160.5	0	0	115.8
622	Y	25.7	Very low	24.7	Very low	181 Å²	181	157.8 Å²	157.8	71%	0.71	80%	0.797	S	S	*	*			trans	70.7	119.6	171.7	-74.2	-86.6	0	0	0	123.1
623	M	22.9	Very low	24.5	Very low	150 Å²	150	155 Å²	155	74%	0.739	79%	0.79	S	S	*	*				40.1	151.2	118.9	-56.4	-49.1	-165.2	0	0	121.5
624	D	23.6	Very low	24.4	Very low	134 Å²	134	156 Å²	156	72%	0.717	80%	0.795	S	S	*	*			cis	-149.3	168.3	10.5	-99.7	-41.5	0	0	0	110.1
625	N	27	Very low	24.1	Very low	165 Å²	165	156 Å²	156	88%	0.882	79%	0.79	S	S	*	*			trans	-176.1	151.6	132.8	-100.7	-63.1	0	0	0	113.3
626	D	25.7	Very low	24.1	Very low	155 Å²	155	154 Å²	154	83%	0.829	79%	0.786	S	S	*	*			trans	-88.6	169.4	-160.8	-82.6	-56.9	0	0	0	118
627	S	22.8	Very low	24	Very low	100 Å²	100	154.1 Å²	154.1	70%	0.699	79%	0.786	S	S	*	*			trans	-59.9	-170.5	177.2	58.1	0	0	0	0	118.4
628	I	27.9	Very low	24	Very low	153 Å²	153	155.5 Å²	155.5	79%	0.785	79%	0.793	S	S	*	*			trans	110.6	130.6	176.5	-64.3	164	0	0	0	111
629	D	25.6	Very low	24	Very low	149 Å²	149	154.1 Å²	154.1	80%	0.797	79%	0.791	S	S	*	*			cis	-144.4	175.9	8.5	-138.4	-21.9	0	0	0	113.8
630	D	21.5	Very low	24.1	Very low	149 Å²	149	153 Å²	153	80%	0.797	80%	0.8	S	S	*	*			trans	-76.1	148.8	173.5	-85	-54.4	0	0	0	114.3
631	S	26.5	Very low	23.9	Very low	120 Å²	120	149.7 Å²	149.7	84%	0.839	80%	0.796	S	S	*	*				-177	139.7	124.3	30.2	0	0	0	0	116.5
632	Q	24.7	Very low	24	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	80%	0.797	S	S	*	*			trans	-40.8	162.2	154.7	-75.3	159.4	-6.4	0	0	114.5
633	S	21.6	Very low	23.9	Very low	96 Å²	96	148.4 Å²	148.4	67%	0.671	80%	0.803	S	S	*	*			cis	158.2	134.6	-17.4	57.3	0	0	0	0	105.4
634	D	23.8	Very low	23.9	Very low	173 Å²	173	149.2 Å²	149.2	93%	0.925	81%	0.805	S	S	*	*			trans	-125.2	142.5	168.6	-95.3	-47	0	0	0	110.1
635	E	21.9	Very low	23.8	Very low	165 Å²	165	148 Å²	148	77%	0.771	81%	0.807	S	S	*	*			trans	-107.4	169	-174.6	-66	-175.3	143.3	0	0	112.7
636	N	23.9	Very low	23.7	Very low	146 Å²	146	146.9 Å²	146.9	78%	0.781	80%	0.801	S	S	*	*			trans	94.7	104.4	162.4	-53.2	-80.1	0	0	0	118
637	E	24	Very low	23.7	Very low	205 Å²	205	146.4 Å²	146.4	96%	0.958	80%	0.799	S	S	*	*				-151.8	99.4	112.9	-118.2	-179.9	-161.8	0	0	110.1
638	E	20.9	Very low	23.7	Very low	183 Å²	183	149 Å²	149	86%	0.855	80%	0.804	S	S	*	*			trans	-108.9	123.5	164.9	-80.3	-159.2	152.2	0	0	109.9
639	N	25.3	Very low	23.5	Very low	164 Å²	164	149.5 Å²	149.5	88%	0.877	81%	0.808	S	S	*	*			trans	162.9	144.4	146.4	-94.8	-69.8	0	0	0	108
640	S	24.9	Very low	23.5	Very low	111 Å²	111	153 Å²	153	78%	0.776	81%	0.81	S	S	*	*			cis	-147.6	175.3	15.1	51.9	0	0	0	0	111.1
641	C	21.8	Very low	23.7	Very low	109 Å²	109	154 Å²	154	74%	0.736	81%	0.814	S	S	*	*			trans	-119.5	176.4	-179.4	64.2	0	0	0	0	112.7
642	M	21.3	Very low	23.4	Very low	153 Å²	153	153.2 Å²	153.2	75%	0.754	81%	0.809	S	S	*	*			trans	74.1	99.7	174.8	-57.6	-66.9	-177.2	0	0	117.6
643	N	25.2	Very low	23.3	Very low	156 Å²	156	152.1 Å²	152.1	83%	0.834	81%	0.809	S	S	*	*				-158.9	176.7	96.2	-103.1	-47.4	0	0	0	112.6
644	Q	22	Very low	23.4	Very low	168 Å²	168	158.3 Å²	158.3	79%	0.785	82%	0.819	S	S	*	*			trans	-99	178.2	-158.4	-62.2	176.4	-16	0	0	114.8
645	S	21.7	Very low	23.4	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	81%	0.807	S	S	*	*			trans	80.6	149.8	168.7	63.1	0	0	0	0	118.9
646	D	24	Very low	23.5	Very low	141 Å²	141	155.3 Å²	155.3	75%	0.754	81%	0.807	S	S	*	*			trans	60.3	85.1	164.9	-56	-11	0	0	0	118.9
647	N	26.1	Very low	23.4	Very low	146 Å²	146	157.5 Å²	157.5	78%	0.781	81%	0.81	S	S	*	*			trans	-163.3	62.8	138.3	-104.6	-72	0	0	0	112.1
648	D	22.7	Very low	23.3	Very low	153 Å²	153	151.7 Å²	151.7	82%	0.818	79%	0.786	S	S	*	*			trans	-62.1	159.1	143.4	-95.9	-49.5	0	0	0	109.1
649	L	24.8	Very low	23.7	Very low	164 Å²	164	153.1 Å²	153.1	86%	0.859	79%	0.785	S	S	*	*	S	Bend	trans	71.7	52.6	176.8	-58.3	152.2	0	0	0	117.5
650	R	24.6	Very low	23.9	Very low	222 Å²	222	153.3 Å²	153.3	84%	0.838	78%	0.78	S	S	*	*			trans	-158.6	52.5	154.3	-114.4	156.9	-161.5	-168.9	5.1	117.8
651	L	25.1	Very low	24.3	Very low	170 Å²	170	151.6 Å²	151.6	89%	0.89	77%	0.769	S	S	*	*			trans	-131.8	38.8	164.2	-146	79.6	0	0	0	114.2
652	S	21.5	Very low	25.6	Very low	104 Å²	104	150.8 Å²	150.8	73%	0.727	76%	0.764	S	S	*	*			trans	-129.9	60.1	179.5	62.4	0	0	0	0	111.4
653	N	23.1	Very low	27.1	Very low	157 Å²	157	151.1 Å²	151.1	84%	0.84	76%	0.762	S	S	*	*			trans	-160.7	42.2	171.1	-104.3	-15.1	0	0	0	113.1
654	Y	23.1	Very low	29	Very low	226 Å²	226	146.9 Å²	146.9	89%	0.886	74%	0.741	S	S	*	*			trans	-89.3	117.4	151.5	-88.5	-79.9	0	0	0	107.5
655	T	23.9	Very low	31.5	Very low	109 Å²	109	145.8 Å²	145.8	67%	0.669	73%	0.73	S	S	*	*			trans	-66.2	137.6	-175.4	36.7	0	0	0	0	111.6	F657	T655-F657 PolarHBondContact O-N 3.42Å
656	E	22.5	Very low	34.6	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	70%	0.696	S	S	*	*			trans	-68.7	92.7	175.2	-70.8	-172.5	125	0	0	110.6	N658	E656-N658 PolarHBondContact O-N 2.85Å
657	F	22.9	Very low	37.6	Very low	191 Å²	191	135.3 Å²	135.3	84%	0.838	67%	0.665	S	S	*	*			trans	-64.8	90.6	157.2	-88.7	-87.6	0	0	0	108.5	T655 Y659	T655-F657 PolarHBondContact O-N 3.42Å; F657-Y659 VanDerWaalsContact C-N 3.26Å; F657-Y659 PolarHBondContact O-N 3.11Å
658	N	22.8	Very low	40.7	Very low	84 Å²	84	128.8 Å²	128.8	45%	0.449	63%	0.632	S	S	.	*			trans	-66.3	85.5	172.8	-82.5	-70.4	0	0	0	109.6	R543 E656 E660	R543-N658 PolarHBondContact NH2-OD1 3.42Å; E656-N658 PolarHBondContact O-N 2.85Å; N658-E660 VanDerWaalsContact C-N 3.32Å; N658-E660 PolarHBondContact O-N 3.04Å; N658-E660 VanDerWaalsContact O-N 3.11Å
659	Y	27.9	Very low	44.1	Very low	213 Å²	213	121.5 Å²	121.5	84%	0.835	59%	0.593	S	S	*	*			trans	-76.9	91.6	161.2	-138.2	-92.1	0	0	0	107.8	F657 S661	F657-Y659 VanDerWaalsContact C-N 3.26Å; F657-Y659 PolarHBondContact O-N 3.11Å; Y659-S661 PolarHBondContact O-N 3.33Å
660	E	29	Very low	47.5	Very low	167 Å²	167	113.8 Å²	113.8	78%	0.78	55%	0.552	S	S	*	*			trans	-82.7	61.4	-163.6	-158.8	153.5	-129.1	0	0	112.3	N658	N658-E660 VanDerWaalsContact C-N 3.32Å; N658-E660 PolarHBondContact O-N 3.04Å; N658-E660 VanDerWaalsContact O-N 3.11Å
661	S	34.4	Very low	50.9	Low	76 Å²	76	103.2 Å²	103.2	53%	0.531	51%	0.513	S	S	.	.			trans	-136.9	111.9	172.6	53.7	0	0	0	0	111.6	Y659 F663	Y659-S661 PolarHBondContact O-N 3.33Å; S661-F663 VanDerWaalsContact C-N 3.26Å; S661-F663 PolarHBondContact O-N 3.22Å
662	S	48.3	Very low	54.2	Low	91 Å²	91	95.1 Å²	95.1	64%	0.636	47%	0.47	S	S	*	.			trans	-75.3	73.3	177.8	40	0	0	0	0	111.3	V664	S662-V664 PolarHBondContact O-N 3.36Å
663	F	54.3	Low	57.7	Low	161 Å²	161	90.3 Å²	90.3	71%	0.706	44%	0.436	S	S	*	.			trans	-60.5	105.4	-175.3	-163.3	-82.1	0	0	0	112.5	S661 R665	S661-F663 VanDerWaalsContact C-N 3.26Å; S661-F663 PolarHBondContact O-N 3.22Å; F663-R665 HydrophobicContact CD1-CG 4.25Å; F663-R665 PolarHBondContact O-N 3.03Å; F663-R665 VanDerWaalsContact O-N 3.15Å
664	V	64.3	Low	60.9	Low	66 Å²	66	82.8 Å²	82.8	40%	0.4	40%	0.396	S	S	.	.			trans	-69.9	107.5	178.4	-178.7	0	0	0	0	109.3	S662	S662-V664 PolarHBondContact O-N 3.36Å
665	R	74.6	Confident	64.1	Low	145 Å²	145	72 Å²	72	55%	0.547	35%	0.354	S	S	.	.			trans	-80.1	131.8	175.2	-63.3	-169.8	-176.7	-163.2	0.8	110.6	F663 S667	F663-R665 HydrophobicContact CD1-CG 4.25Å; F663-R665 PolarHBondContact O-N 3.03Å; F663-R665 VanDerWaalsContact O-N 3.15Å; R665-S667 PolarHBondContact O-N 2.65Å
666	R	87.2	Confident	67.3	Low	13 Å²	13	67.5 Å²	67.5	5%	0.049	33%	0.326	C	S	.	.			trans	-58.6	134.4	176.5	74.2	171.3	178.8	85.3	-3.9	111.7	A668 M757 Q760 R809 D811 R956	R666-A668 PolarHBondContact NH1-O 2.83Å; R666-M757 WeakPolarHBondContact CD-O 3.43Å; R666-M757 PolarHBondContact NE-O 2.98Å; R666-Q760 VanDerWaalsContact CA-OE1 3.27Å; R666-Q760 VanDerWaalsContact CB-CD 3.41Å; R666-Q760 HydrophobicContact CB-CG 3.53Å; R666-R809 PolarHBondContact NH2-O 3.41Å; R666-D811 IonicContact CZ-OD1 3.56Å; R666-D811 IonicContact CZ-OD2 2.92Å; R666-D811 IonicContact NH1-OD1 3.84Å; R666-D811 PolarHBondContact NH1-OD1 3.22Å; R666-D811 IonicContact NH1-OD2 2.87Å; R666-D811 PolarHBondContact NH1-OD2 3.24Å; R666-D811 IonicContact NH2-OD1 3.99Å; R666-D811 PolarHBondContact NH2-OD1 3.22Å; R666-D811 IonicContact NH2-OD2 3.84Å; R666-D811 PolarHBondContact NH2-OD2 3.14Å; R666-R956 VanDerWaalsContact CG-NH2 3.34Å; R666-R956 PolarHBondContact O-NE 3.05Å
667	S	86.6	Confident	70.6	Confident	16 Å²	16	63.1 Å²	63.1	11%	0.112	31%	0.312	C	S	.	.			trans	-105	-21.1	179.9	78.5	0	0	0	0	113.8	G536 T537 Q538 R665	G536-S667 WeakPolarHBondContact CA-O 3.31Å; G536-S667 PolarHBondContact N-O 2.81Å; T537-S667 WeakPolarHBondContact O-CB 3.48Å; Q538-S667 VanDerWaalsContact CG-OG 3.29Å; Q538-S667 WeakPolarHBondContact CG-OG 3.4Å; R665-S667 PolarHBondContact O-N 2.65Å
668	A	91.3	Very high	73.7	Confident	10 Å²	10	58.1 Å²	58.1	8%	0.083	31%	0.314	C	S	.	.			trans	-69.5	140.6	176.4	0	0	0	0	0	110.3	R666 A778	R666-A668 PolarHBondContact NH1-O 2.83Å; A668-A778 HydrophobicContact CB-CB 4.12Å
669	S	93.7	Very high	76.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.296	C	S	.	.			trans	-102.4	135.8	172.1	-67	0	0	0	0	110	D811	S669-D811 VanDerWaalsContact CA-OD2 3.28Å; S669-D811 WeakPolarHBondContact CA-OD2 3.49Å
670	H	95.8	Very high	79.7	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.27	C	S	.	.			trans	-105.5	133.9	-178.3	-57.4	-44.1	0	0	0	110.3	M757 A777 V779 F810 D811 L812	H670-M757 HydrophobicContact CB-CE 3.87Å; H670-M757 WeakPolarHBondContact NE2-CA 3.4Å; H670-M757 PolarHBondContact NE2-O 2.98Å; H670-A777 PolarHBondContact CE1-O 3.11Å; H670-V779 VanDerWaalsContact CA-O 3.32Å; H670-V779 WeakPolarHBondContact CA-O 3.14Å; H670-V779 PolarHBondContact ND1-N 3.13Å; H670-F810 HydrophobicContact CB-CD1 3.88Å; H670-F810 HydrophobicContact CB-CE1 4.44Å; H670-D811 PolarHBondContact N-OD2 2.99Å; H670-D811 PolarHBondContact O-N 2.91Å; H670-L812 PolarHBondContact O-N 3.44Å
671	V	95.6	Very high	82.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.3	-175.2	-176.5	0	0	0	0	110.4	L529 A532 I673 V779 L780 A781 L812 F814	L529-V671 HydrophobicContact CD2-CG1 4.38Å; A532-V671 HydrophobicContact CB-CG2 3.6Å; V671-I673 HydrophobicContact CG1-CG1 4.34Å; V671-V779 PolarHBondContact N-O 3.19Å; V671-L780 HydrophobicContact CB-CD2 3.95Å; V671-L780 HydrophobicContact CG2-CD2 4.08Å; V671-L780 WeakPolarHBondContact O-CA 3.39Å; V671-A781 PolarHBondContact O-N 3.12Å; V671-L812 WeakPolarHBondContact CA-O 3.48Å; V671-L812 HydrophobicContact CG1-CB 4.39Å; V671-L812 HydrophobicContact CG2-CB 4.39Å; V671-L812 HydrophobicContact CG2-CD1 4.4Å; V671-F814 HydrophobicContact CG1-CD2 3.83Å; V671-F814 HydrophobicContact CG1-CE2 3.83Å
672	L	95	Very high	85.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.3	172.3	178.6	63	0	0	0	110	V674 A781 A783 I802 L807 F810 L812 I813 F814	L672-V674 HydrophobicContact CD2-CG2 4.05Å; L672-V674 HydrophobicContact CG-CG2 3.92Å; L672-A781 CarbonylContact C-O 3.51Å; L672-A781 WeakPolarHBondContact CA-O 3.35Å; L672-A781 HydrophobicContact CD1-CB 3.58Å; L672-A783 HydrophobicContact CD1-CB 4.01Å; L672-I802 HydrophobicContact CD2-CD1 4.13Å; L672-L807 HydrophobicContact CD2-CD2 3.74Å; L672-F810 HydrophobicContact CB-CB 4.39Å; L672-F810 HydrophobicContact CB-CD1 3.68Å; L672-F810 HydrophobicContact CB-CD2 4.13Å; L672-F810 HydrophobicContact CB-CE1 3.89Å; L672-F810 HydrophobicContact CB-CE2 4.32Å; L672-F810 HydrophobicContact CB-CG 3.8Å; L672-F810 HydrophobicContact CB-CZ 4.21Å; L672-F810 HydrophobicContact CD1-CZ 4.44Å; L672-F810 HydrophobicContact CD2-CD2 4.17Å; L672-F810 HydrophobicContact CD2-CE2 4.17Å; L672-L812 PolarHBondContact N-O 2.46Å; L672-I813 HydrophobicContact CB-CG1 4.28Å; L672-I813 HydrophobicContact CB-CG2 4.19Å; L672-I813 HydrophobicContact CD2-CG1 4.5Å; L672-I813 HydrophobicContact CD2-CG2 3.99Å; L672-I813 HydrophobicContact CG-CG2 4.17Å; L672-I813 WeakPolarHBondContact O-CA 3.39Å; L672-F814 PolarHBondContact O-N 3.14Å
673	I	94.4	Very high	87.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.4	178.4	-60.8	-176.8	0	0	0	108.2	I525 L529 V671 K681 A781 A782 A783 L816	I525-I673 HydrophobicContact CG2-CD1 4.01Å; I525-I673 HydrophobicContact CG2-CG1 4.46Å; L529-I673 HydrophobicContact CD1-CD1 3.92Å; L529-I673 HydrophobicContact CD2-CD1 4.07Å; L529-I673 HydrophobicContact CG-CD1 4.19Å; V671-I673 HydrophobicContact CG1-CG1 4.34Å; I673-K681 HydrophobicContact CG2-CB 4.07Å; I673-K681 HydrophobicContact CG2-CD 4.14Å; I673-K681 HydrophobicContact CG2-CG 3.99Å; I673-A781 PolarHBondContact N-O 2.87Å; I673-A782 WeakPolarHBondContact O-CA 3.25Å; I673-A783 PolarHBondContact O-N 3.33Å; I673-L816 HydrophobicContact CG2-CD1 3.63Å; I673-L816 HydrophobicContact CG2-CD2 4.45Å
674	V	92.2	Very high	89.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.1	-179.5	177.5	0	0	0	0	109.3	L672 A783 Y790 L800 I813 F814 V815 L816	L672-V674 HydrophobicContact CD2-CG2 4.05Å; L672-V674 HydrophobicContact CG-CG2 3.92Å; V674-A783 WeakPolarHBondContact CA-O 3.25Å; V674-Y790 HydrophobicContact CG1-CD2 3.98Å; V674-Y790 HydrophobicContact CG1-CE2 4.09Å; V674-L800 HydrophobicContact CG1-CD1 4.29Å; V674-L800 HydrophobicContact CG1-CD2 3.87Å; V674-L800 HydrophobicContact CG1-CG 4.4Å; V674-L800 HydrophobicContact CG2-CD1 3.71Å; V674-L800 HydrophobicContact CG2-CD2 4.18Å; V674-I813 HydrophobicContact CG2-CG2 3.92Å; V674-F814 PolarHBondContact N-O 3.04Å; V674-V815 HydrophobicContact CB-CG2 4.43Å; V674-L816 WeakPolarHBondContact O-CB 3.23Å; V674-L816 VanDerWaalsContact O-CD1 3.32Å; V674-L816 WeakPolarHBondContact O-CD1 3.49Å; V674-L816 PolarHBondContact O-N 3.08Å
675	G	90.4	Very high	91	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159	-177	166.4	0	0	0	0	0	113	K681 A783 P785 L816	G675-K681 WeakPolarHBondContact O-CE 3.35Å; G675-K681 PolarHBondContact O-NZ 2.85Å; G675-A783 PolarHBondContact N-O 2.86Å; G675-P785 WeakPolarHBondContact O-CD 3.31Å; G675-L816 WeakPolarHBondContact CA-O 3.35Å
676	D	90.5	Very high	91.9	Very high	14 Å²	14	23.7 Å²	23.7	8%	0.075	15%	0.15	C	C	.	.			trans	-66.4	157.3	-176.5	-69.3	26.1	0	0	0	112.3	L679 K681 H789 Y790	D676-L679 HydrophobicContact CB-CD1 3.92Å; D676-L679 HydrophobicContact CB-CG 4.31Å; D676-K681 PolarHBondContact O-NZ 3.19Å; D676-H789 IonicContact OD2-CE1 3.58Å; D676-H789 IonicContact OD2-CG 2.68Å; D676-H789 IonicContact OD2-ND1 2.72Å; D676-H789 PolarHBondContact OD2-ND1 2.64Å; D676-Y790 PolarHBondContact OD1-N 2.81Å
677	P	91.5	Very high	92.1	Very high	75 Å²	75	23.6 Å²	23.6	49%	0.487	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	163.7	174.2	28.5	-35.9	0	0	0	111.2	L679 G788	P677-L679 PolarHBondContact O-N 2.87Å; P677-G788 WeakPolarHBondContact CD-O 3.28Å
678	G	87.5	Confident	92.4	Very high	86 Å²	86	22.9 Å²	22.9	89%	0.887	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	-28.8	-176	0	0	0	0	0	114.8	G680	G678-G680 PolarHBondContact O-N 2.88Å
679	L	89	Confident	92.4	Very high	13 Å²	13	22.8 Å²	22.8	7%	0.068	15%	0.146	C	C	.	.	S	Bend	trans	-67.4	28.9	-178.2	-57.6	-175.9	0	0	0	116.2	R522 D676 P677 K681 L816 D818	R522-L679 PolarHBondContact NH1-O 3.35Å; D676-L679 HydrophobicContact CB-CD1 3.92Å; D676-L679 HydrophobicContact CB-CG 4.31Å; P677-L679 PolarHBondContact O-N 2.87Å; L679-K681 PolarHBondContact O-N 2.63Å; L679-L816 HydrophobicContact CD1-CB 3.99Å; L679-L816 WeakPolarHBondContact CD1-O 3.37Å; L679-D818 HydrophobicContact CD1-CB 4.23Å; L679-D818 HydrophobicContact CD2-CB 3.99Å
680	G	89.2	Confident	92	Very high	28 Å²	28	25.8 Å²	25.8	29%	0.289	17%	0.167	S	C	.	.	S	Bend	trans	65.6	4.9	167.3	0	0	0	0	0	117.1	G678 S682 Q683 L684	G678-G680 PolarHBondContact O-N 2.88Å; G680-S682 PolarHBondContact O-N 3.04Å; G680-Q683 WeakPolarHBondContact O-CA 3.16Å; G680-Q683 WeakPolarHBondContact O-CB 3.41Å; G680-Q683 PolarHBondContact O-N 3.44Å; G680-L684 PolarHBondContact O-N 3.11Å
681	K	93	Very high	91.7	Very high	10 Å²	10	25.8 Å²	25.8	4%	0.043	17%	0.168	C	C	.	.	H	α-helix	trans	-50.6	-53.4	-172.6	-53.3	-171.2	-59.1	-89.1	0	113	I673 G675 D676 L679 Q683 L684 L685 A782 A783 N784	I673-K681 HydrophobicContact CG2-CB 4.07Å; I673-K681 HydrophobicContact CG2-CD 4.14Å; I673-K681 HydrophobicContact CG2-CG 3.99Å; G675-K681 WeakPolarHBondContact O-CE 3.35Å; G675-K681 PolarHBondContact O-NZ 2.85Å; D676-K681 PolarHBondContact O-NZ 3.19Å; L679-K681 PolarHBondContact O-N 2.63Å; K681-Q683 PolarHBondContact O-N 2.96Å; K681-L684 WeakPolarHBondContact O-CB 3.44Å; K681-L684 PolarHBondContact O-N 2.72Å; K681-L685 PolarHBondContact O-N 2.94Å; K681-A782 HydrophobicContact CB-CB 4.25Å; K681-A783 VanDerWaalsContact CE-O 3.24Å; K681-A783 WeakPolarHBondContact CE-O 3.37Å; K681-N784 WeakPolarHBondContact CE-OD1 3.28Å; K681-N784 PolarHBondContact NZ-OD1 2.84Å
682	S	94	Very high	91.3	Very high	33 Å²	33	25.8 Å²	25.8	23%	0.231	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-26.5	178.5	-46.7	0	0	0	0	113.2	G680 R686 D741	G680-S682 PolarHBondContact O-N 3.04Å; S682-R686 VanDerWaalsContact O-CG 3.23Å; S682-R686 WeakPolarHBondContact O-CG 3.47Å; S682-R686 PolarHBondContact O-N 3.02Å; S682-R686 PolarHBondContact O-NE 2.68Å; S682-D741 WeakPolarHBondContact CB-OD1 3.5Å; S682-D741 VanDerWaalsContact CB-OD2 3.25Å; S682-D741 WeakPolarHBondContact CB-OD2 3.37Å; S682-D741 PolarHBondContact OG-OD1 2.9Å; S682-D741 PolarHBondContact OG-OD2 3.18Å
683	Q	92.1	Very high	90.5	Very high	78 Å²	78	26.8 Å²	26.8	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-80.1	-34.9	177.4	-172.1	64.4	14.7	0	0	112	I519 G680 K681 L685 A687	I519-Q683 HydrophobicContact CD1-CB 4.04Å; I519-Q683 HydrophobicContact CD1-CG 4.06Å; G680-Q683 WeakPolarHBondContact O-CA 3.16Å; G680-Q683 WeakPolarHBondContact O-CB 3.41Å; G680-Q683 PolarHBondContact O-N 3.44Å; K681-Q683 PolarHBondContact O-N 2.96Å; Q683-L685 VanDerWaalsContact C-N 3.32Å; Q683-A687 WeakPolarHBondContact O-CB 3.39Å; Q683-A687 PolarHBondContact O-N 3.11Å
684	L	93.4	Very high	90	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-45	164.7	-74.9	172.1	0	0	0	110.8	L515 C516 I519 I525 K526 L529 G680 K681 A687 A688	L515-L684 HydrophobicContact CD2-CD2 4.38Å; C516-L684 HydrophobicContact CB-CD2 4.2Å; I519-L684 HydrophobicContact CD1-CD2 3.8Å; I519-L684 HydrophobicContact CD1-CG 3.67Å; I519-L684 HydrophobicContact CG2-CD2 4.5Å; I525-L684 HydrophobicContact CG2-CD1 3.99Å; K526-L684 HydrophobicContact CG-CD2 4.08Å; L529-L684 HydrophobicContact CD1-CB 4.04Å; G680-L684 PolarHBondContact O-N 3.11Å; K681-L684 WeakPolarHBondContact O-CB 3.44Å; K681-L684 PolarHBondContact O-N 2.72Å; L684-A687 PolarHBondContact O-N 3.34Å; L684-A688 PolarHBondContact O-N 2.87Å
685	L	93.9	Very high	89.7	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-42.5	-179.7	-172.2	62.9	0	0	0	112.2	K681 Q683 A687 A688 A689 Y697 C739 D741 L780 A782	K681-L685 PolarHBondContact O-N 2.94Å; Q683-L685 VanDerWaalsContact C-N 3.32Å; L685-A687 VanDerWaalsContact C-N 3.35Å; L685-A687 PolarHBondContact O-N 3.5Å; L685-A688 PolarHBondContact O-N 3.2Å; L685-A689 VanDerWaalsContact O-CB 3.27Å; L685-A689 WeakPolarHBondContact O-CB 3.36Å; L685-A689 PolarHBondContact O-N 3.15Å; L685-Y697 HydrophobicContact CB-CE2 4.43Å; L685-Y697 HydrophobicContact CD2-CE2 4.09Å; L685-Y697 HydrophobicContact CG-CE2 3.95Å; L685-C739 HydrophobicContact CD1-CB 3.82Å; L685-C739 HydrophobicContact CD2-CB 4.29Å; L685-C739 HydrophobicContact CG-CB 3.95Å; L685-D741 HydrophobicContact CD2-CB 4.07Å; L685-L780 HydrophobicContact CD1-CB 3.6Å; L685-A782 HydrophobicContact CD2-CB 4.05Å
686	R	92.8	Very high	89.6	Confident	116 Å²	116	32.1 Å²	32.1	44%	0.438	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-36	173.4	-71.4	167.3	-146.8	148.2	-0.7	113.1	S682 A689 S690 Y697 D741	S682-R686 VanDerWaalsContact O-CG 3.23Å; S682-R686 WeakPolarHBondContact O-CG 3.47Å; S682-R686 PolarHBondContact O-N 3.02Å; S682-R686 PolarHBondContact O-NE 2.68Å; R686-A689 PolarHBondContact O-N 2.68Å; R686-S690 PolarHBondContact O-N 3.39Å; R686-Y697 HydrophobicContact CB-CE2 4.39Å; R686-Y697 HydrophobicContact CG-CD2 4.39Å; R686-Y697 HydrophobicContact CG-CE2 3.5Å; R686-Y697 WeakPolarHBondContact CG-OH 3.25Å; R686-Y697 PolarHBondContact NE-OH 2.98Å; R686-D741 IonicContact NH2-OD2 3.93Å
687	A	91.6	Very high	89.7	Confident	12 Å²	12	35.4 Å²	35.4	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-44.5	177.5	0	0	0	0	0	111.6	L515 C516 Q683 L684 L685 A689 S690 L691	L515-A687 WeakPolarHBondContact O-CB 3.46Å; C516-A687 HydrophobicContact CB-CB 3.71Å; Q683-A687 WeakPolarHBondContact O-CB 3.39Å; Q683-A687 PolarHBondContact O-N 3.11Å; L684-A687 PolarHBondContact O-N 3.34Å; L685-A687 VanDerWaalsContact C-N 3.35Å; L685-A687 PolarHBondContact O-N 3.5Å; A687-A689 VanDerWaalsContact C-N 3.28Å; A687-A689 PolarHBondContact O-N 3.07Å; A687-S690 PolarHBondContact O-N 3.34Å; A687-S690 PolarHBondContact O-OG 3.26Å; A687-S690 VanDerWaalsContact O-OG 3.04Å; A687-L691 WeakPolarHBondContact O-CG 3.18Å; A687-L691 PolarHBondContact O-N 2.91Å
688	A	93.3	Very high	89.7	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-40	170.4	0	0	0	0	0	111.6	L515 L529 L533 L684 L685 S690 L691 A692 L780	L515-A688 HydrophobicContact CD1-CB 4.4Å; L529-A688 HydrophobicContact CD1-CB 4.42Å; L529-A688 HydrophobicContact CD2-CB 4.21Å; L533-A688 HydrophobicContact CD1-CB 4.39Å; L684-A688 PolarHBondContact O-N 2.87Å; L685-A688 PolarHBondContact O-N 3.2Å; A688-S690 PolarHBondContact O-N 2.69Å; A688-L691 PolarHBondContact O-N 2.98Å; A688-A692 PolarHBondContact O-N 3.15Å; A688-A692 VanDerWaalsContact O-N 3.13Å; A688-L780 HydrophobicContact CB-CD1 4.12Å
689	A	90.6	Very high	89.9	Confident	8 Å²	8	30.5 Å²	30.5	7%	0.066	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-41.3	178.6	0	0	0	0	0	113.4	L685 R686 A687 L691 A692 V695 Y697 C739	L685-A689 VanDerWaalsContact O-CB 3.27Å; L685-A689 WeakPolarHBondContact O-CB 3.36Å; L685-A689 PolarHBondContact O-N 3.15Å; R686-A689 PolarHBondContact O-N 2.68Å; A687-A689 VanDerWaalsContact C-N 3.28Å; A687-A689 PolarHBondContact O-N 3.07Å; A689-L691 VanDerWaalsContact C-N 3.31Å; A689-L691 PolarHBondContact O-N 3.38Å; A689-A692 PolarHBondContact O-N 2.9Å; A689-V695 HydrophobicContact CB-CG2 3.86Å; A689-V695 WeakPolarHBondContact O-CG1 3.3Å; A689-Y697 HydrophobicContact CB-CD2 4.09Å; A689-C739 HydrophobicContact CB-CB 4.42Å
690	S	87.1	Confident	89.9	Confident	63 Å²	63	29.9 Å²	29.9	44%	0.441	16%	0.162	S	C	.	.	H	α-helix	trans	-68.7	-31.5	-179.2	67.3	0	0	0	0	112.9	R686 A687 A688 R905	R686-S690 PolarHBondContact O-N 3.39Å; A687-S690 PolarHBondContact O-N 3.34Å; A687-S690 PolarHBondContact O-OG 3.26Å; A687-S690 VanDerWaalsContact O-OG 3.04Å; A688-S690 PolarHBondContact O-N 2.69Å; S690-R905 PolarHBondContact O-NH1 3.35Å
691	L	89.6	Confident	89.9	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-79.3	-24.6	178.4	-64.1	174.7	0	0	0	113.8	L515 L533 A687 A688 A689 P901 L904 R905 I908	L515-L691 HydrophobicContact CB-CD1 4.28Å; L515-L691 HydrophobicContact CD1-CD1 4.4Å; L515-L691 HydrophobicContact CG-CD1 4.05Å; L533-L691 HydrophobicContact CD1-CB 4.06Å; A687-L691 WeakPolarHBondContact O-CG 3.18Å; A687-L691 PolarHBondContact O-N 2.91Å; A688-L691 PolarHBondContact O-N 2.98Å; A689-L691 VanDerWaalsContact C-N 3.31Å; A689-L691 PolarHBondContact O-N 3.38Å; L691-P901 HydrophobicContact CD2-CB 3.62Å; L691-L904 HydrophobicContact CD1-CD2 3.78Å; L691-L904 HydrophobicContact CD1-CG 4.46Å; L691-L904 HydrophobicContact CD2-CB 4.01Å; L691-L904 HydrophobicContact CD2-CD2 3.81Å; L691-L904 HydrophobicContact CD2-CG 3.95Å; L691-L904 HydrophobicContact CG-CD2 4.43Å; L691-R905 WeakPolarHBondContact O-CG 3.26Å; L691-I908 HydrophobicContact CB-CD1 4.27Å
692	A	87	Confident	89.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-63.1	132.7	177.7	0	0	0	0	0	111.6	L533 A688 A689 R694 V695 C737 R905	L533-A692 HydrophobicContact CD2-CB 3.74Å; A688-A692 PolarHBondContact O-N 3.15Å; A688-A692 VanDerWaalsContact O-N 3.13Å; A689-A692 PolarHBondContact O-N 2.9Å; A692-R694 VanDerWaalsContact C-N 3.33Å; A692-R694 PolarHBondContact O-N 3.09Å; A692-V695 HydrophobicContact CB-CB 3.99Å; A692-V695 HydrophobicContact CB-CG2 4.21Å; A692-C737 HydrophobicContact CB-CB 4.06Å; A692-R905 PolarHBondContact O-NE 3.37Å; A692-R905 PolarHBondContact O-NH1 2.8Å; A692-R905 VanDerWaalsContact O-NH1 3.15Å; A692-R905 PolarHBondContact O-NH2 2.84Å
693	P	78.4	Confident	89.5	Confident	21 Å²	21	35.3 Å²	35.3	14%	0.136	19%	0.186	C	C	.	.	S	Bend	trans	-66	-33.4	-175	23.7	-33	0	0	0	113.6	R905 I908 L909	P693-R905 PolarHBondContact O-NH2 3.22Å; P693-I908 HydrophobicContact CG-CG2 4.43Å; P693-L909 HydrophobicContact CB-CB 4.18Å; P693-L909 HydrophobicContact CB-CD1 3.88Å
694	R	82.7	Confident	89.5	Confident	34 Å²	34	35 Å²	35	13%	0.128	19%	0.189	C	C	.	.	S	Bend	trans	-132.2	130.3	169.4	179.4	-178.9	180	170.1	11.2	107.3	G385 A692 L732 D734 G736 C737	G385-R694 PolarHBondContact O-NH1 3.12Å; G385-R694 PolarHBondContact O-NH2 3.5Å; A692-R694 VanDerWaalsContact C-N 3.33Å; A692-R694 PolarHBondContact O-N 3.09Å; R694-L732 VanDerWaalsContact CZ-O 3.22Å; R694-L732 PolarHBondContact NE-O 3.21Å; R694-L732 PolarHBondContact NH2-O 2.88Å; R694-D734 WeakPolarHBondContact CD-O 3.27Å; R694-D734 VanDerWaalsContact CZ-O 3.29Å; R694-D734 PolarHBondContact NE-O 2.94Å; R694-D734 PolarHBondContact NH1-O 3.32Å; R694-G736 CarbonylContact O-C 3.49Å; R694-G736 WeakPolarHBondContact O-CA 3.18Å; R694-C737 PolarHBondContact O-N 3.03Å
695	V	86.2	Confident	89.4	Confident	27 Å²	27	36.7 Å²	36.7	16%	0.164	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.2	-173.6	72.4	0	0	0	0	112.5	A689 A692 C737	A689-V695 HydrophobicContact CB-CG2 3.86Å; A689-V695 WeakPolarHBondContact O-CG1 3.3Å; A692-V695 HydrophobicContact CB-CB 3.99Å; A692-V695 HydrophobicContact CB-CG2 4.21Å; V695-C737 WeakPolarHBondContact CA-O 3.44Å; V695-C737 HydrophobicContact CG2-CB 4.46Å
696	L	88.8	Confident	89.1	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.277	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.8	155.4	-74.7	175.4	0	0	0	110.3	A729 L732 C737 C739	L696-A729 HydrophobicContact CD1-CB 4.1Å; L696-A729 WeakPolarHBondContact CD1-O 3.41Å; L696-L732 HydrophobicContact CD1-CB 3.44Å; L696-L732 VanDerWaalsContact CD1-CB 3.44Å; L696-L732 HydrophobicContact CD1-CD1 4.22Å; L696-L732 HydrophobicContact CD1-CG 4.48Å; L696-C737 PolarHBondContact N-O 2.89Å; L696-C737 VanDerWaalsContact N-O 3.11Å; L696-C739 PolarHBondContact O-N 3.38Å
697	Y	91.2	Very high	89	Confident	83 Å²	83	35 Å²	35	33%	0.325	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.9	179.6	-170	-76.9	0	0	0	108.6	L685 R686 A689 C739 D741	L685-Y697 HydrophobicContact CB-CE2 4.43Å; L685-Y697 HydrophobicContact CD2-CE2 4.09Å; L685-Y697 HydrophobicContact CG-CE2 3.95Å; R686-Y697 HydrophobicContact CB-CE2 4.39Å; R686-Y697 HydrophobicContact CG-CD2 4.39Å; R686-Y697 HydrophobicContact CG-CE2 3.5Å; R686-Y697 WeakPolarHBondContact CG-OH 3.25Å; R686-Y697 PolarHBondContact NE-OH 2.98Å; A689-Y697 HydrophobicContact CB-CD2 4.09Å; Y697-C739 CarbonylContact C-O 3.56Å; Y697-C739 WeakPolarHBondContact CA-O 3.31Å; Y697-C739 HydrophobicContact CD2-CB 3.66Å; Y697-C739 HydrophobicContact CE2-CB 4.35Å; Y697-C739 HydrophobicContact CG-CB 4.25Å; Y697-D741 HydrophobicContact CE1-CB 3.94Å; Y697-D741 VanDerWaalsContact OH-CG 3.28Å; Y697-D741 PolarHBondContact OH-OD2 3.17Å
698	V	91.8	Very high	88.9	Confident	24 Å²	24	34.4 Å²	34.4	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146	-173.3	-169.3	0	0	0	0	108.7	A703 A729 C739 I740 D741	V698-A703 HydrophobicContact CG1-CB 3.8Å; V698-A729 HydrophobicContact CG2-CB 3.75Å; V698-C739 PolarHBondContact N-O 3.39Å; V698-I740 WeakPolarHBondContact O-CA 3.39Å; V698-D741 PolarHBondContact O-N 2.66Å
699	C	92.4	Very high	88.9	Confident	35 Å²	35	35.3 Å²	35.3	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.7	171	178.8	0	0	0	0	109.6	N701 T702 A703 D741	C699-N701 VanDerWaalsContact C-N 3.25Å; C699-N701 PolarHBondContact O-N 3.04Å; C699-T702 PolarHBondContact O-N 2.94Å; C699-T702 PolarHBondContact O-OG1 2.74Å; C699-T702 VanDerWaalsContact O-OG1 3.04Å; C699-A703 PolarHBondContact O-N 3.34Å; C699-D741 CarbonylContact C-O 3.47Å; C699-D741 WeakPolarHBondContact CA-O 3.39Å
700	G	88.1	Confident	88.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-53.9	-40.1	-176.6	0	0	0	0	0	113.6	T702 A703 D741 K745 T747	G700-T702 PolarHBondContact O-N 2.85Å; G700-A703 PolarHBondContact O-N 3.3Å; G700-A703 VanDerWaalsContact O-N 3.14Å; G700-D741 PolarHBondContact N-O 2.92Å; G700-K745 CarbonylContact C-O 3.6Å; G700-K745 VanDerWaalsContact C-O 3.3Å; G700-T747 PolarHBondContact O-N 3.17Å
701	N	89.9	Confident	89.1	Confident	80 Å²	80	33.5 Å²	33.5	43%	0.428	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-60.7	-25.5	177	-53.8	-41.8	0	0	0	113.8	C699 E742 K745 T747	C699-N701 VanDerWaalsContact C-N 3.25Å; C699-N701 PolarHBondContact O-N 3.04Å; N701-E742 PolarHBondContact ND2-OE2 3.48Å; N701-K745 WeakPolarHBondContact OD1-CB 3.23Å; N701-K745 VanDerWaalsContact OD1-CD 3.31Å; N701-K745 WeakPolarHBondContact OD1-CD 3.41Å; N701-T747 VanDerWaalsContact O-CG2 3.25Å; N701-T747 WeakPolarHBondContact O-CG2 3.39Å
702	T	88.2	Confident	89.1	Confident	103 Å²	103	35.4 Å²	35.4	63%	0.632	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-106	-7.1	179.2	61.3	0	0	0	0	112.7	C699 G700 T704	C699-T702 PolarHBondContact O-N 2.94Å; C699-T702 PolarHBondContact O-OG1 2.74Å; C699-T702 VanDerWaalsContact O-OG1 3.04Å; G700-T702 PolarHBondContact O-N 2.85Å; T702-T704 PolarHBondContact O-N 3.08Å
703	A	90.3	Very high	89	Confident	1 Å²	1	37 Å²	37	1%	0.008	23%	0.226	C	C	.	.			trans	-79.6	107.2	178.8	0	0	0	0	0	110.5	V698 C699 G700 L708 L746 T747	V698-A703 HydrophobicContact CG1-CB 3.8Å; C699-A703 PolarHBondContact O-N 3.34Å; G700-A703 PolarHBondContact O-N 3.3Å; G700-A703 VanDerWaalsContact O-N 3.14Å; A703-L708 HydrophobicContact CB-CD1 3.99Å; A703-L708 HydrophobicContact CB-CD2 4.13Å; A703-L708 HydrophobicContact CB-CG 4.04Å; A703-L746 HydrophobicContact CB-CD2 3.77Å; A703-T747 PolarHBondContact O-OG1 2.94Å
704	T	92.7	Very high	89.2	Confident	71 Å²	71	43.9 Å²	43.9	44%	0.436	25%	0.249	S	C	.	.			trans	-96.4	160.7	166.5	66.9	0	0	0	0	110	T702 A706 G707 L708	T702-T704 PolarHBondContact O-N 3.08Å; T704-A706 VanDerWaalsContact C-N 3.33Å; T704-A706 PolarHBondContact O-N 3.41Å; T704-G707 PolarHBondContact O-N 3.15Å; T704-G707 VanDerWaalsContact O-N 3.13Å; T704-G707 PolarHBondContact OG1-N 2.99Å; T704-G707 VanDerWaalsContact OG1-N 3.16Å; T704-L708 PolarHBondContact O-N 2.93Å
705	A	90.1	Very high	88.5	Confident	36 Å²	36	44.2 Å²	44.2	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-54.1	-49.5	178.1	0	0	0	0	0	111.8	G707 L708 T709 C748 V752	A705-G707 PolarHBondContact O-N 3.4Å; A705-L708 PolarHBondContact O-N 2.72Å; A705-T709 PolarHBondContact O-N 2.9Å; A705-T709 PolarHBondContact O-OG1 2.73Å; A705-C748 HydrophobicContact CB-CB 3.91Å; A705-V752 HydrophobicContact CB-CG1 4.19Å; A705-V752 HydrophobicContact CB-CG2 4Å
706	A	88.1	Confident	87.1	Confident	43 Å²	43	46.4 Å²	46.4	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-40	177.6	0	0	0	0	0	112.8	T704 L708 V710	T704-A706 VanDerWaalsContact C-N 3.33Å; T704-A706 PolarHBondContact O-N 3.41Å; A706-L708 VanDerWaalsContact C-N 3.26Å; A706-L708 PolarHBondContact O-N 2.71Å; A706-V710 PolarHBondContact O-N 3.4Å
707	G	89.9	Confident	85.4	Confident	39 Å²	39	47.3 Å²	47.3	40%	0.402	29%	0.285	S	S	.	.	H	α-helix	trans	-69.7	-19.1	177	0	0	0	0	0	114.4	T704 A705 G728 A729	T704-G707 PolarHBondContact O-N 3.15Å; T704-G707 VanDerWaalsContact O-N 3.13Å; T704-G707 PolarHBondContact OG1-N 2.99Å; T704-G707 VanDerWaalsContact OG1-N 3.16Å; A705-G707 PolarHBondContact O-N 3.4Å; G707-G728 CarbonylContact O-C 3.3Å; G707-G728 VanDerWaalsContact O-CA 3.31Å; G707-G728 WeakPolarHBondContact O-CA 3.45Å; G707-A729 PolarHBondContact O-N 2.8Å
708	L	91.4	Very high	83.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-90.1	-44.4	173.3	-73.3	171.5	0	0	0	112.3	A703 T704 A705 A706 G728 A729 L730 I740 L746 L753	A703-L708 HydrophobicContact CB-CD1 3.99Å; A703-L708 HydrophobicContact CB-CD2 4.13Å; A703-L708 HydrophobicContact CB-CG 4.04Å; T704-L708 PolarHBondContact O-N 2.93Å; A705-L708 PolarHBondContact O-N 2.72Å; A706-L708 VanDerWaalsContact C-N 3.26Å; A706-L708 PolarHBondContact O-N 2.71Å; L708-G728 CarbonylContact O-C 3.55Å; L708-A729 PolarHBondContact O-N 2.82Å; L708-L730 HydrophobicContact CB-CD1 4.43Å; L708-L730 WeakPolarHBondContact O-CB 3.34Å; L708-L730 WeakPolarHBondContact O-CG 3.24Å; L708-L730 PolarHBondContact O-N 2.79Å; L708-I740 HydrophobicContact CD2-CD1 4.34Å; L708-L746 HydrophobicContact CD1-CD2 4.19Å; L708-L753 HydrophobicContact CD1-CD2 4.2Å
709	T	91.7	Very high	81	Confident	18 Å²	18	54.9 Å²	54.9	11%	0.11	34%	0.34	C	S	.	.	S	Bend	trans	-102.2	-90.6	-174.5	57.6	0	0	0	0	112.8	A705 G728 L730 V752 V762	A705-T709 PolarHBondContact O-N 2.9Å; A705-T709 PolarHBondContact O-OG1 2.73Å; T709-G728 VanDerWaalsContact O-CA 3.25Å; T709-G728 WeakPolarHBondContact O-CA 3.28Å; T709-G728 PolarHBondContact O-N 2.77Å; T709-L730 HydrophobicContact CG2-CD1 4.16Å; T709-V752 HydrophobicContact CG2-CG1 3.53Å; T709-V762 HydrophobicContact CG2-CG1 4.36Å; T709-V762 HydrophobicContact CG2-CG2 4.1Å
710	V	91.4	Very high	79.1	Confident	12 Å²	12	56.7 Å²	56.7	7%	0.073	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	136.9	-174.7	-172.6	0	0	0	0	110.3	A706 L725 E726 V731 V762 V764 L773	A706-V710 PolarHBondContact O-N 3.4Å; V710-L725 HydrophobicContact CG1-CD2 4.39Å; V710-E726 CarbonylContact C-O 3.48Å; V710-E726 WeakPolarHBondContact CA-O 3.39Å; V710-E726 VanDerWaalsContact CG1-O 3.28Å; V710-E726 WeakPolarHBondContact CG1-O 3.48Å; V710-V731 HydrophobicContact CG2-CG2 4.02Å; V710-V762 HydrophobicContact CG2-CB 4.43Å; V710-V762 HydrophobicContact CG2-CG1 3.87Å; V710-V764 HydrophobicContact CB-CG2 3.7Å; V710-V764 HydrophobicContact CG1-CG2 3.91Å; V710-V764 HydrophobicContact CG2-CG2 3.82Å; V710-L773 HydrophobicContact CG1-CD1 4.16Å; V710-L773 HydrophobicContact CG2-CD1 3.82Å
711	S	90.5	Very high	78	Confident	22 Å²	22	57 Å²	57	15%	0.154	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140.8	169.2	20.3	0	0	0	0	111.2	E726	S711-E726 PolarHBondContact N-O 3.44Å; S711-E726 PolarHBondContact O-N 2.84Å; S711-E726 WeakPolarHBondContact OG-CB 3.24Å; S711-E726 WeakPolarHBondContact OG-CG 3.27Å; S711-E726 PolarHBondContact OG-O 2.92Å; S711-E726 PolarHBondContact OG-OE2 2.89Å
712	T	89.3	Confident	77.3	Confident	42 Å²	42	54.3 Å²	54.3	26%	0.258	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.1	159.4	50	0	0	0	0	109.1	G724 L725 V764 R766	T712-G724 CarbonylContact C-O 3.57Å; T712-G724 WeakPolarHBondContact CA-O 3.36Å; T712-L725 HydrophobicContact CG2-CD2 4.03Å; T712-V764 HydrophobicContact CG2-CG1 4.18Å; T712-R766 HydrophobicContact CG2-CB 3.55Å
713	I	84.9	Confident	77.1	Confident	34 Å²	34	52.8 Å²	52.8	17%	0.174	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	146.5	172.5	-61.8	171.4	0	0	0	108.4	R271 F723 G724 E726	R271-I713 HydrophobicContact CG-CD1 4.19Å; I713-F723 CarbonylContact O-C 3.58Å; I713-F723 VanDerWaalsContact O-CA 3.28Å; I713-F723 WeakPolarHBondContact O-CA 3.49Å; I713-G724 PolarHBondContact N-O 2.85Å; I713-G724 PolarHBondContact O-N 3.31Å; I713-E726 HydrophobicContact CD1-CB 3.62Å; I713-E726 HydrophobicContact CD1-CG 4.22Å; I713-E726 HydrophobicContact CG1-CB 4.12Å
714	R	82.6	Confident	76.9	Confident	164 Å²	164	52.9 Å²	52.9	62%	0.619	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.5	166.3	-167.8	179.2	-177.8	-172.7	0.2	109.9	G716 G721 G722 F723	R714-G716 PolarHBondContact O-N 3.23Å; R714-G721 WeakPolarHBondContact CG-O 3.32Å; R714-G721 PolarHBondContact NE-O 2.85Å; R714-G722 WeakPolarHBondContact CA-O 3.48Å; R714-F723 HydrophobicContact CB-CD1 3.99Å; R714-F723 HydrophobicContact CB-CE1 3.91Å; R714-F723 HydrophobicContact CG-CD1 4.2Å; R714-F723 HydrophobicContact CG-CE1 3.99Å; R714-F723 HydrophobicContact CG-CZ 4.36Å
715	E	69.3	Low	76.9	Confident	42 Å²	42	50.2 Å²	50.2	20%	0.196	33%	0.327	C	S	.	.			trans	-70.3	127.3	-179.2	-150.6	68.1	-106.8	0	0	110.2	R271 P274 N717 G721 G722	R271-E715 IonicContact CZ-OE1 3.12Å; R271-E715 IonicContact CZ-OE2 3.48Å; R271-E715 IonicContact NH2-OE1 3.74Å; R271-E715 PolarHBondContact NH2-OE1 3.39Å; R271-E715 IonicContact NH2-OE2 2.72Å; R271-E715 PolarHBondContact NH2-OE2 2.76Å; P274-E715 WeakPolarHBondContact CD-OE2 3.29Å; P274-E715 HydrophobicContact CG-CB 4.13Å; P274-E715 HydrophobicContact CG-CG 4.45Å; E715-N717 VanDerWaalsContact C-N 3.25Å; E715-N717 PolarHBondContact O-N 2.86Å; E715-G721 VanDerWaalsContact O-CA 3.27Å; E715-G721 WeakPolarHBondContact O-CA 3.31Å; E715-G722 PolarHBondContact N-O 3.27Å
716	G	55.9	Low	76.9	Confident	72 Å²	72	51.8 Å²	51.8	74%	0.742	33%	0.328	S	S	*	.			trans	-78.4	26.7	-161.9	0	0	0	0	0	117.5	R714	R714-G716 PolarHBondContact O-N 3.23Å
717	N	54	Low	77	Confident	73 Å²	73	50.1 Å²	50.1	39%	0.39	31%	0.314	S	S	.	.			trans	-90.5	137	-174.5	-81.7	-26.5	0	0	0	113.7	E715 S719 G721	E715-N717 VanDerWaalsContact C-N 3.25Å; E715-N717 PolarHBondContact O-N 2.86Å; N717-S719 PolarHBondContact O-N 2.86Å; N717-G721 PolarHBondContact O-N 3.42Å
718	N	43.9	Very low	77.1	Confident	147 Å²	147	48.5 Å²	48.5	79%	0.786	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	17.1	-176.4	-88.4	-27.9	0	0	0	115.5
719	S	45.7	Very low	77.1	Confident	119 Å²	119	48.9 Å²	48.9	83%	0.832	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.4	69.9	-176	-67.4	0	0	0	0	110.9	N717	N717-S719 PolarHBondContact O-N 2.86Å
720	G	53.9	Low	77.1	Confident	72 Å²	72	48.1 Å²	48.1	74%	0.742	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	21.3	172.2	0	0	0	0	0	115.9	G722	G720-G722 PolarHBondContact O-N 3.43Å
721	G	63.4	Low	77.1	Confident	8 Å²	8	47.5 Å²	47.5	8%	0.082	29%	0.292	C	S	.	.			trans	-39.2	110.3	-178	0	0	0	0	0	114.5	R714 E715 N717	R714-G721 WeakPolarHBondContact CG-O 3.32Å; R714-G721 PolarHBondContact NE-O 2.85Å; E715-G721 VanDerWaalsContact O-CA 3.27Å; E715-G721 WeakPolarHBondContact O-CA 3.31Å; N717-G721 PolarHBondContact O-N 3.42Å
722	G	75	Confident	77.1	Confident	23 Å²	23	47.5 Å²	47.5	24%	0.237	29%	0.29	C	S	.	.			trans	-77.1	-178.9	-175.3	0	0	0	0	0	113.5	R714 E715 G720	R714-G722 WeakPolarHBondContact CA-O 3.48Å; E715-G722 PolarHBondContact N-O 3.27Å; G720-G722 PolarHBondContact O-N 3.43Å
723	F	85.7	Confident	77.1	Confident	71 Å²	71	45.5 Å²	45.5	31%	0.311	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.1	177.7	-64.5	-85.3	0	0	0	111	I713 R714 G767 L769	I713-F723 CarbonylContact O-C 3.58Å; I713-F723 VanDerWaalsContact O-CA 3.28Å; I713-F723 WeakPolarHBondContact O-CA 3.49Å; R714-F723 HydrophobicContact CB-CD1 3.99Å; R714-F723 HydrophobicContact CB-CE1 3.91Å; R714-F723 HydrophobicContact CG-CD1 4.2Å; R714-F723 HydrophobicContact CG-CE1 3.99Å; R714-F723 HydrophobicContact CG-CZ 4.36Å; F723-G767 WeakPolarHBondContact CD2-O 3.25Å; F723-L769 HydrophobicContact CB-CD1 3.71Å; F723-L769 HydrophobicContact CB-CG 4.06Å
724	G	86.3	Confident	77.2	Confident	3 Å²	3	43.9 Å²	43.9	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	171.3	169.1	0	0	0	0	0	111.2	L272 T712 I713	L272-G724 CarbonylContact O-C 3.59Å; L272-G724 WeakPolarHBondContact O-CA 3.43Å; T712-G724 CarbonylContact C-O 3.57Å; T712-G724 WeakPolarHBondContact CA-O 3.36Å; I713-G724 PolarHBondContact N-O 2.85Å; I713-G724 PolarHBondContact O-N 3.31Å
725	L	90.9	Very high	77.3	Confident	14 Å²	14	39 Å²	39	7%	0.073	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.8	178.3	-61.7	178.7	0	0	0	110.8	R271 L272 P384 V710 T712 V764 L769 A771	R271-L725 CarbonylContact C-O 3.59Å; R271-L725 WeakPolarHBondContact CA-O 3.47Å; R271-L725 WeakPolarHBondContact CG-O 3.4Å; L272-L725 PolarHBondContact N-O 2.99Å; L272-L725 PolarHBondContact O-N 3.44Å; P384-L725 HydrophobicContact CG-CB 3.85Å; P384-L725 HydrophobicContact CG-CD1 4.48Å; V710-L725 HydrophobicContact CG1-CD2 4.39Å; T712-L725 HydrophobicContact CG2-CD2 4.03Å; L725-V764 HydrophobicContact CD2-CG1 4.38Å; L725-L769 HydrophobicContact CD2-CB 4.38Å; L725-L769 HydrophobicContact CD2-CD1 3.63Å; L725-L769 HydrophobicContact CG-CD1 3.92Å; L725-A771 HydrophobicContact CD1-CB 3.76Å
726	E	91.2	Very high	78.2	Confident	70 Å²	70	37 Å²	37	33%	0.327	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.4	172.1	166.9	-175.9	-111	0	0	109.6	V270 R271 V710 S711 I713	V270-E726 CarbonylContact O-C 3.54Å; V270-E726 WeakPolarHBondContact O-CA 3.49Å; R271-E726 HydrophobicContact CB-CB 4.44Å; V710-E726 CarbonylContact C-O 3.48Å; V710-E726 WeakPolarHBondContact CA-O 3.39Å; V710-E726 VanDerWaalsContact CG1-O 3.28Å; V710-E726 WeakPolarHBondContact CG1-O 3.48Å; S711-E726 PolarHBondContact N-O 3.44Å; S711-E726 PolarHBondContact O-N 2.84Å; S711-E726 WeakPolarHBondContact OG-CB 3.24Å; S711-E726 WeakPolarHBondContact OG-CG 3.27Å; S711-E726 PolarHBondContact OG-O 2.92Å; S711-E726 PolarHBondContact OG-OE2 2.89Å; I713-E726 HydrophobicContact CD1-CB 3.62Å; I713-E726 HydrophobicContact CD1-CG 4.22Å; I713-E726 HydrophobicContact CG1-CB 4.12Å
727	A	90.5	Very high	79.8	Confident	7 Å²	7	33.7 Å²	33.7	6%	0.058	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.5	-178	0	0	0	0	0	112.2	V270 P384 V731 L732	V270-A727 PolarHBondContact O-N 3.43Å; P384-A727 HydrophobicContact CB-CB 3.64Å; A727-V731 HydrophobicContact CB-CB 3.98Å; A727-V731 HydrophobicContact CB-CG1 3.77Å; A727-L732 HydrophobicContact CB-CD2 3.73Å; A727-L732 HydrophobicContact CB-CG 3.73Å; A727-L732 WeakPolarHBondContact O-CD1 3.46Å
728	G	91.5	Very high	81.7	Confident	5 Å²	5	30.2 Å²	30.2	5%	0.052	19%	0.192	C	C	.	.			trans	-80.2	-179.8	164.4	0	0	0	0	0	112.7	G707 L708 T709 L730 V731 L732	G707-G728 CarbonylContact O-C 3.3Å; G707-G728 VanDerWaalsContact O-CA 3.31Å; G707-G728 WeakPolarHBondContact O-CA 3.45Å; L708-G728 CarbonylContact O-C 3.55Å; T709-G728 VanDerWaalsContact O-CA 3.25Å; T709-G728 WeakPolarHBondContact O-CA 3.28Å; T709-G728 PolarHBondContact O-N 2.77Å; G728-L730 VanDerWaalsContact C-N 3.32Å; G728-L730 PolarHBondContact O-N 3.43Å; G728-V731 PolarHBondContact O-N 2.97Å; G728-L732 WeakPolarHBondContact O-CG 3.2Å; G728-L732 PolarHBondContact O-N 2.86Å
729	A	91.2	Very high	84.2	Confident	8 Å²	8	23.2 Å²	23.2	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-31.9	-167.2	0	0	0	0	0	115.4	L696 V698 G707 L708 A733	L696-A729 HydrophobicContact CD1-CB 4.1Å; L696-A729 WeakPolarHBondContact CD1-O 3.41Å; V698-A729 HydrophobicContact CG2-CB 3.75Å; G707-A729 PolarHBondContact O-N 2.8Å; L708-A729 PolarHBondContact O-N 2.82Å; A729-A733 WeakPolarHBondContact O-CB 3.45Å; A729-A733 PolarHBondContact O-N 3.23Å
730	L	92.2	Very high	86.5	Confident	2 Å²	2	17.5 Å²	17.5	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-72.8	-40.3	-179.3	-66.3	166.1	0	0	0	112.3	L708 T709 G728 A733 D734 C738 L753 A756 A775 V779	L708-L730 HydrophobicContact CB-CD1 4.43Å; L708-L730 WeakPolarHBondContact O-CB 3.34Å; L708-L730 WeakPolarHBondContact O-CG 3.24Å; L708-L730 PolarHBondContact O-N 2.79Å; T709-L730 HydrophobicContact CG2-CD1 4.16Å; G728-L730 VanDerWaalsContact C-N 3.32Å; G728-L730 PolarHBondContact O-N 3.43Å; L730-A733 CarbonylContact O-C 3.48Å; L730-A733 PolarHBondContact O-N 3.01Å; L730-D734 PolarHBondContact O-N 2.91Å; L730-C738 HydrophobicContact CD2-CB 3.77Å; L730-L753 HydrophobicContact CD1-CD2 3.73Å; L730-A756 HydrophobicContact CD1-CB 3.97Å; L730-A775 HydrophobicContact CB-CB 4.38Å; L730-V779 HydrophobicContact CD2-CG2 4.14Å
731	V	91.9	Very high	88.5	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-73.8	-41.3	178	175.5	0	0	0	0	110.2	P384 V710 A727 G728 A733 D734 V762 L773 A775	P384-V731 WeakPolarHBondContact O-CG1 3.47Å; V710-V731 HydrophobicContact CG2-CG2 4.02Å; A727-V731 HydrophobicContact CB-CB 3.98Å; A727-V731 HydrophobicContact CB-CG1 3.77Å; G728-V731 PolarHBondContact O-N 2.97Å; V731-A733 PolarHBondContact O-N 3.26Å; V731-D734 WeakPolarHBondContact O-CB 3.03Å; V731-D734 PolarHBondContact O-N 3.01Å; V731-D734 VanDerWaalsContact O-N 3.13Å; V731-V762 HydrophobicContact CG2-CG2 4.33Å; V731-L773 HydrophobicContact CG1-CB 4.23Å; V731-L773 HydrophobicContact CG1-CD1 4.43Å; V731-L773 HydrophobicContact CG2-CB 4.23Å; V731-A775 HydrophobicContact CG2-CB 4.36Å
732	L	89.1	Confident	89.9	Confident	21 Å²	21	16.8 Å²	16.8	11%	0.11	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-18.8	171.7	-68.5	-179.7	0	0	0	113.7	I268 V270 R694 L696 A727 G728	I268-L732 HydrophobicContact CG2-CD2 3.85Å; V270-L732 HydrophobicContact CB-CD2 4.47Å; V270-L732 HydrophobicContact CG2-CD2 3.99Å; R694-L732 VanDerWaalsContact CZ-O 3.22Å; R694-L732 PolarHBondContact NE-O 3.21Å; R694-L732 PolarHBondContact NH2-O 2.88Å; L696-L732 HydrophobicContact CD1-CB 3.44Å; L696-L732 VanDerWaalsContact CD1-CB 3.44Å; L696-L732 HydrophobicContact CD1-CD1 4.22Å; L696-L732 HydrophobicContact CD1-CG 4.48Å; A727-L732 HydrophobicContact CB-CD2 3.73Å; A727-L732 HydrophobicContact CB-CG 3.73Å; A727-L732 WeakPolarHBondContact O-CD1 3.46Å; G728-L732 WeakPolarHBondContact O-CG 3.2Å; G728-L732 PolarHBondContact O-N 2.86Å
733	A	89	Confident	90.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	17.3	173.9	0	0	0	0	0	113.9	A729 L730 V731 Q735 G736 C738 A777	A729-A733 WeakPolarHBondContact O-CB 3.45Å; A729-A733 PolarHBondContact O-N 3.23Å; L730-A733 CarbonylContact O-C 3.48Å; L730-A733 PolarHBondContact O-N 3.01Å; V731-A733 PolarHBondContact O-N 3.26Å; A733-Q735 PolarHBondContact O-N 3.26Å; A733-G736 CarbonylContact O-C 3.53Å; A733-G736 VanDerWaalsContact O-CA 3.24Å; A733-G736 WeakPolarHBondContact O-CA 3.33Å; A733-G736 PolarHBondContact O-N 2.82Å; A733-C738 HydrophobicContact CB-CB 4.3Å; A733-A777 HydrophobicContact CB-CB 3.9Å; A733-A777 WeakPolarHBondContact O-CB 3.41Å
734	D	88.3	Confident	91	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	135.4	178.6	-178	49.7	0	0	0	112.7	R694 L730 V731 G736 R776	R694-D734 WeakPolarHBondContact CD-O 3.27Å; R694-D734 VanDerWaalsContact CZ-O 3.29Å; R694-D734 PolarHBondContact NE-O 2.94Å; R694-D734 PolarHBondContact NH1-O 3.32Å; L730-D734 PolarHBondContact O-N 2.91Å; V731-D734 WeakPolarHBondContact O-CB 3.03Å; V731-D734 PolarHBondContact O-N 3.01Å; V731-D734 VanDerWaalsContact O-N 3.13Å; D734-G736 PolarHBondContact O-N 2.94Å; D734-G736 VanDerWaalsContact O-N 3.08Å; D734-R776 WeakPolarHBondContact OD1-CA 3.46Å; D734-R776 WeakPolarHBondContact OD1-CB 3.29Å; D734-R776 WeakPolarHBondContact OD1-CG 3.46Å; D734-R776 IonicContact OD1-CZ 2.82Å; D734-R776 PolarHBondContact OD1-N 2.93Å; D734-R776 IonicContact OD1-NE 3.91Å; D734-R776 PolarHBondContact OD1-NE 3.4Å; D734-R776 IonicContact OD1-NH2 3.79Å; D734-R776 IonicContact OD2-CZ 3.17Å; D734-R776 IonicContact OD2-NE 3.21Å; D734-R776 PolarHBondContact OD2-NE 3.11Å; D734-R776 IonicContact OD2-NH2 2.66Å; D734-R776 PolarHBondContact OD2-NH2 3.4Å
735	Q	84.2	Confident	91.2	Very high	61 Å²	61	17.5 Å²	17.5	29%	0.285	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	2.8	-166.7	-44.7	-171.8	32.6	0	0	115.9	A733 R776 R912	A733-Q735 PolarHBondContact O-N 3.26Å; Q735-R776 VanDerWaalsContact NE2-NH2 3.16Å; Q735-R912 VanDerWaalsContact O-CZ 3.26Å; Q735-R912 PolarHBondContact O-NH1 3.04Å; Q735-R912 PolarHBondContact O-NH2 2.63Å
736	G	87.8	Confident	91.2	Very high	2 Å²	2	17.9 Å²	17.9	2%	0.021	9%	0.089	C	C	.	.	S	Bend	trans	-103.2	-149.8	178.5	0	0	0	0	0	113.3	R694 A733 D734 A777 A778	R694-G736 CarbonylContact O-C 3.49Å; R694-G736 WeakPolarHBondContact O-CA 3.18Å; A733-G736 CarbonylContact O-C 3.53Å; A733-G736 VanDerWaalsContact O-CA 3.24Å; A733-G736 WeakPolarHBondContact O-CA 3.33Å; A733-G736 PolarHBondContact O-N 2.82Å; D734-G736 PolarHBondContact O-N 2.94Å; D734-G736 VanDerWaalsContact O-N 3.08Å; G736-A777 WeakPolarHBondContact O-CA 3.25Å; G736-A778 PolarHBondContact O-N 3Å
737	C	91.1	Very high	91	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.6	171.9	-53.8	0	0	0	0	110.2	A692 R694 V695 L696 A778 L780	A692-C737 HydrophobicContact CB-CB 4.06Å; R694-C737 PolarHBondContact O-N 3.03Å; V695-C737 WeakPolarHBondContact CA-O 3.44Å; V695-C737 HydrophobicContact CG2-CB 4.46Å; L696-C737 PolarHBondContact N-O 2.89Å; L696-C737 VanDerWaalsContact N-O 3.11Å; C737-A778 CarbonylContact C-O 3.45Å; C737-A778 VanDerWaalsContact CA-O 3.28Å; C737-A778 WeakPolarHBondContact CA-O 3.14Å; C737-L780 HydrophobicContact CB-CD1 4.27Å
738	C	93.7	Very high	90.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.4	169.9	-171.1	0	0	0	0	108.2	L730 A733 A777 A778 V779 L780	L730-C738 HydrophobicContact CD2-CB 3.77Å; A733-C738 HydrophobicContact CB-CB 4.3Å; C738-A777 HydrophobicContact CB-CB 4.09Å; C738-A778 PolarHBondContact N-O 2.69Å; C738-V779 WeakPolarHBondContact O-CA 3.25Å; C738-L780 PolarHBondContact O-N 2.75Å
739	C	95	Very high	90.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.7	-178.4	-64.2	0	0	0	0	109.6	L685 A689 L696 Y697 V698 L780	L685-C739 HydrophobicContact CD1-CB 3.82Å; L685-C739 HydrophobicContact CD2-CB 4.29Å; L685-C739 HydrophobicContact CG-CB 3.95Å; A689-C739 HydrophobicContact CB-CB 4.42Å; L696-C739 PolarHBondContact O-N 3.38Å; Y697-C739 CarbonylContact C-O 3.56Å; Y697-C739 WeakPolarHBondContact CA-O 3.31Å; Y697-C739 HydrophobicContact CD2-CB 3.66Å; Y697-C739 HydrophobicContact CE2-CB 4.35Å; Y697-C739 HydrophobicContact CG-CB 4.25Å; V698-C739 PolarHBondContact N-O 3.39Å; C739-L780 CarbonylContact C-O 3.6Å; C739-L780 VanDerWaalsContact CA-O 3.29Å; C739-L780 WeakPolarHBondContact CA-O 3.32Å
740	I	95.1	Very high	90.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	106.9	-179.2	-54.3	176.7	0	0	0	109.4	V698 L708 F743 L746 V779 L780 A781 A782	V698-I740 WeakPolarHBondContact O-CA 3.39Å; L708-I740 HydrophobicContact CD2-CD1 4.34Å; I740-F743 HydrophobicContact CB-CD2 3.99Å; I740-F743 HydrophobicContact CD1-CD2 4.24Å; I740-F743 HydrophobicContact CD1-CE2 4.17Å; I740-F743 HydrophobicContact CG2-CB 4.29Å; I740-F743 HydrophobicContact CG2-CD2 3.72Å; I740-F743 HydrophobicContact CG2-CG 4.43Å; I740-L746 HydrophobicContact CG2-CD2 4.32Å; I740-V779 HydrophobicContact CD1-CG1 4.25Å; I740-L780 PolarHBondContact N-O 2.75Å; I740-A781 WeakPolarHBondContact O-CA 3.23Å; I740-A782 PolarHBondContact O-N 3.25Å
741	D	94.6	Very high	90.1	Very high	16 Å²	16	26.9 Å²	26.9	9%	0.086	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	149.3	173.4	-155	6.9	0	0	0	109.7	S682 L685 R686 Y697 V698 C699 G700 F743	S682-D741 WeakPolarHBondContact CB-OD1 3.5Å; S682-D741 VanDerWaalsContact CB-OD2 3.25Å; S682-D741 WeakPolarHBondContact CB-OD2 3.37Å; S682-D741 PolarHBondContact OG-OD1 2.9Å; S682-D741 PolarHBondContact OG-OD2 3.18Å; L685-D741 HydrophobicContact CD2-CB 4.07Å; R686-D741 IonicContact NH2-OD2 3.93Å; Y697-D741 HydrophobicContact CE1-CB 3.94Å; Y697-D741 VanDerWaalsContact OH-CG 3.28Å; Y697-D741 PolarHBondContact OH-OD2 3.17Å; V698-D741 PolarHBondContact O-N 2.66Å; C699-D741 CarbonylContact C-O 3.47Å; C699-D741 WeakPolarHBondContact CA-O 3.39Å; G700-D741 PolarHBondContact N-O 2.92Å; D741-F743 PolarHBondContact O-N 2.93Å
742	E	93.3	Very high	90	Very high	48 Å²	48	29 Å²	29	22%	0.224	16%	0.161	C	C	.	.	S	Bend	trans	51.5	47.1	-174.6	-49.1	-153	123.2	0	0	114.1	N701 D744 K745 A782	N701-E742 PolarHBondContact ND2-OE2 3.48Å; E742-D744 PolarHBondContact O-N 2.94Å; E742-K745 HydrophobicContact CB-CB 4.44Å; E742-K745 HydrophobicContact CB-CD 4.08Å; E742-K745 HydrophobicContact CB-CG 4.24Å; E742-K745 PolarHBondContact O-N 2.91Å; E742-K745 IonicContact OE1-NZ 2.87Å; E742-K745 PolarHBondContact OE1-NZ 2.88Å; E742-K745 WeakPolarHBondContact OE2-CD 3.28Å; E742-K745 IonicContact OE2-NZ 2.67Å; E742-K745 PolarHBondContact OE2-NZ 3.42Å; E742-A782 PolarHBondContact N-O 2.72Å
743	F	93.6	Very high	90.2	Very high	4 Å²	4	28 Å²	28	2%	0.018	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-59.5	-25.8	-178.8	-168.8	-80.8	0	0	0	113.2	I740 D741 K745 L746 L753 A781 A782 A783 I802 L806 F810	I740-F743 HydrophobicContact CB-CD2 3.99Å; I740-F743 HydrophobicContact CD1-CD2 4.24Å; I740-F743 HydrophobicContact CD1-CE2 4.17Å; I740-F743 HydrophobicContact CG2-CB 4.29Å; I740-F743 HydrophobicContact CG2-CD2 3.72Å; I740-F743 HydrophobicContact CG2-CG 4.43Å; D741-F743 PolarHBondContact O-N 2.93Å; F743-K745 PolarHBondContact O-N 2.67Å; F743-L746 HydrophobicContact CD1-CD1 4.04Å; F743-L746 HydrophobicContact CD2-CD1 4.04Å; F743-L746 HydrophobicContact CE1-CD1 3.96Å; F743-L746 HydrophobicContact CE2-CD1 3.96Å; F743-L746 HydrophobicContact CG-CD1 4.09Å; F743-L746 HydrophobicContact CZ-CD1 3.93Å; F743-L746 WeakPolarHBondContact O-CG 3.46Å; F743-L753 HydrophobicContact CE2-CD1 3.62Å; F743-L753 HydrophobicContact CZ-CD1 3.65Å; F743-A781 HydrophobicContact CB-CB 4.26Å; F743-A781 HydrophobicContact CD2-CB 3.59Å; F743-A781 HydrophobicContact CE2-CB 4.1Å; F743-A781 HydrophobicContact CG-CB 4.05Å; F743-A782 WeakPolarHBondContact CB-O 3.48Å; F743-A782 PolarHBondContact N-O 3.24Å; F743-A783 HydrophobicContact CB-CB 4.27Å; F743-I802 HydrophobicContact CD1-CD1 3.62Å; F743-I802 HydrophobicContact CD1-CG1 4.11Å; F743-I802 HydrophobicContact CE1-CD1 3.86Å; F743-I802 HydrophobicContact CE1-CG1 4.16Å; F743-I802 HydrophobicContact CE1-CG2 4.17Å; F743-L806 HydrophobicContact CE1-CD2 4.1Å; F743-L806 HydrophobicContact CZ-CD2 3.88Å; F743-F810 HydrophobicContact CE2-CZ 4.07Å; F743-F810 HydrophobicContact CZ-CE2 4.18Å; F743-F810 AromaticContact CZ-CZ 3.91Å; F743-F810 HydrophobicContact CZ-CZ 3.91Å
744	D	90.9	Very high	90.3	Very high	26 Å²	26	30.2 Å²	30.2	14%	0.139	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-61.9	-15.2	170.7	51.1	-70.8	0	0	0	114.3	E742 A783 N784	E742-D744 PolarHBondContact O-N 2.94Å; D744-A783 HydrophobicContact CB-CB 4.43Å; D744-A783 WeakPolarHBondContact OD1-CA 3.31Å; D744-N784 PolarHBondContact OD1-N 2.96Å; D744-N784 PolarHBondContact OD1-ND2 3.36Å; D744-N784 VanDerWaalsContact OD1-ND2 3.11Å; D744-N784 PolarHBondContact OD2-ND2 2.93Å
745	K	90.1	Very high	90.5	Very high	82 Å²	82	32.6 Å²	32.6	36%	0.357	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-117.4	20.7	-174.5	-45.3	-176.6	-170	168.1	0	114	G700 N701 E742 F743 T747	G700-K745 CarbonylContact C-O 3.6Å; G700-K745 VanDerWaalsContact C-O 3.3Å; N701-K745 WeakPolarHBondContact OD1-CB 3.23Å; N701-K745 VanDerWaalsContact OD1-CD 3.31Å; N701-K745 WeakPolarHBondContact OD1-CD 3.41Å; E742-K745 HydrophobicContact CB-CB 4.44Å; E742-K745 HydrophobicContact CB-CD 4.08Å; E742-K745 HydrophobicContact CB-CG 4.24Å; E742-K745 PolarHBondContact O-N 2.91Å; E742-K745 IonicContact OE1-NZ 2.87Å; E742-K745 PolarHBondContact OE1-NZ 2.88Å; E742-K745 WeakPolarHBondContact OE2-CD 3.28Å; E742-K745 IonicContact OE2-NZ 2.67Å; E742-K745 PolarHBondContact OE2-NZ 3.42Å; F743-K745 PolarHBondContact O-N 2.67Å; K745-T747 PolarHBondContact O-N 2.8Å
746	L	90.2	Very high	90.9	Very high	23 Å²	23	29.8 Å²	29.8	12%	0.12	17%	0.166	C	C	.	.			trans	-51.9	127	173.7	-77.8	168.3	0	0	0	111	A703 L708 I740 F743 C748 P750 L753	A703-L746 HydrophobicContact CB-CD2 3.77Å; L708-L746 HydrophobicContact CD1-CD2 4.19Å; I740-L746 HydrophobicContact CG2-CD2 4.32Å; F743-L746 HydrophobicContact CD1-CD1 4.04Å; F743-L746 HydrophobicContact CD2-CD1 4.04Å; F743-L746 HydrophobicContact CE1-CD1 3.96Å; F743-L746 HydrophobicContact CE2-CD1 3.96Å; F743-L746 HydrophobicContact CG-CD1 4.09Å; F743-L746 HydrophobicContact CZ-CD1 3.93Å; F743-L746 WeakPolarHBondContact O-CG 3.46Å; L746-C748 VanDerWaalsContact C-N 3.33Å; L746-P750 HydrophobicContact CD1-CG 4.47Å; L746-L753 HydrophobicContact CD1-CD1 4.16Å
747	T	88.2	Confident	91.1	Very high	87 Å²	87	29.7 Å²	29.7	53%	0.534	17%	0.165	S	C	.	.	S	Bend	trans	-78.2	-19.5	-179.1	71.8	0	0	0	0	113.6	G700 N701 A703 K745	G700-T747 PolarHBondContact O-N 3.17Å; N701-T747 VanDerWaalsContact O-CG2 3.25Å; N701-T747 WeakPolarHBondContact O-CG2 3.39Å; A703-T747 PolarHBondContact O-OG1 2.94Å; K745-T747 PolarHBondContact O-N 2.8Å
748	C	86.9	Confident	91	Very high	20 Å²	20	32.3 Å²	32.3	14%	0.135	18%	0.177	C	C	.	.	S	Bend	trans	-99.9	160.8	175.7	60.2	0	0	0	0	112.2	A705 L746 P750	A705-C748 HydrophobicContact CB-CB 3.91Å; L746-C748 VanDerWaalsContact C-N 3.33Å; C748-P750 WeakPolarHBondContact O-CD 3.36Å
749	D	88.6	Confident	90.7	Very high	105 Å²	105	38.6 Å²	38.6	56%	0.561	21%	0.206	S	C	*	.			trans	-53.7	121.2	168.2	-176.4	-7	0	0	0	110.7	A751 V752	D749-A751 PolarHBondContact O-N 3.21Å; D749-A751 VanDerWaalsContact O-N 3.08Å; D749-A751 VanDerWaalsContact OD1-CB 3.24Å; D749-A751 WeakPolarHBondContact OD1-CB 3.07Å; D749-A751 PolarHBondContact OD1-N 3.02Å; D749-V752 WeakPolarHBondContact O-CB 3.13Å; D749-V752 WeakPolarHBondContact O-CG2 3.31Å; D749-V752 PolarHBondContact O-N 3.14Å; D749-V752 VanDerWaalsContact O-N 3.16Å
750	P	84.9	Confident	90.5	Very high	27 Å²	27	39.1 Å²	39.1	18%	0.175	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-59.6	-16	176.2	-23	34.3	0	0	0	114.1	L746 C748 V752 L753 L806	L746-P750 HydrophobicContact CD1-CG 4.47Å; C748-P750 WeakPolarHBondContact O-CD 3.36Å; P750-V752 PolarHBondContact O-N 2.97Å; P750-V752 VanDerWaalsContact O-N 3.17Å; P750-L753 WeakPolarHBondContact O-CB 3.25Å; P750-L753 PolarHBondContact O-N 3.38Å; P750-L806 HydrophobicContact CB-CD2 3.35Å
751	A	86.4	Confident	90.3	Very high	42 Å²	42	40 Å²	40	35%	0.347	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-56	-27.8	172.7	0	0	0	0	0	113.4	D749 L753 L754	D749-A751 PolarHBondContact O-N 3.21Å; D749-A751 VanDerWaalsContact O-N 3.08Å; D749-A751 VanDerWaalsContact OD1-CB 3.24Å; D749-A751 WeakPolarHBondContact OD1-CB 3.07Å; D749-A751 PolarHBondContact OD1-N 3.02Å; A751-L753 PolarHBondContact O-N 3.21Å; A751-L753 VanDerWaalsContact O-N 3.11Å; A751-L754 HydrophobicContact CB-CD1 4.05Å; A751-L754 WeakPolarHBondContact O-CB 3.49Å; A751-L754 PolarHBondContact O-N 3.16Å
752	V	89.4	Confident	90.2	Very high	43 Å²	43	39.4 Å²	39.4	26%	0.261	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-57.8	-24.1	175.3	175.9	0	0	0	0	112.5	A705 T709 D749 P750	A705-V752 HydrophobicContact CB-CG1 4.19Å; A705-V752 HydrophobicContact CB-CG2 4Å; T709-V752 HydrophobicContact CG2-CG1 3.53Å; D749-V752 WeakPolarHBondContact O-CB 3.13Å; D749-V752 WeakPolarHBondContact O-CG2 3.31Å; D749-V752 PolarHBondContact O-N 3.14Å; D749-V752 VanDerWaalsContact O-N 3.16Å; P750-V752 PolarHBondContact O-N 2.97Å; P750-V752 VanDerWaalsContact O-N 3.17Å
753	L	92.7	Very high	90.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-84.2	-16.4	177.6	-60.4	178	0	0	0	113.7	L708 L730 F743 L746 P750 A751 E755 A756 M757 L806	L708-L753 HydrophobicContact CD1-CD2 4.2Å; L730-L753 HydrophobicContact CD1-CD2 3.73Å; F743-L753 HydrophobicContact CE2-CD1 3.62Å; F743-L753 HydrophobicContact CZ-CD1 3.65Å; L746-L753 HydrophobicContact CD1-CD1 4.16Å; P750-L753 WeakPolarHBondContact O-CB 3.25Å; P750-L753 PolarHBondContact O-N 3.38Å; A751-L753 PolarHBondContact O-N 3.21Å; A751-L753 VanDerWaalsContact O-N 3.11Å; L753-E755 PolarHBondContact O-N 3.13Å; L753-A756 PolarHBondContact O-N 3.46Å; L753-M757 HydrophobicContact CB-CG 4.46Å; L753-M757 HydrophobicContact CB-SD 4.08Å; L753-M757 WeakPolarHBondContact O-CB 3.47Å; L753-M757 WeakPolarHBondContact O-CG 3.44Å; L753-M757 PolarHBondContact O-N 3.35Å; L753-L806 HydrophobicContact CB-CD1 4.09Å; L753-L806 HydrophobicContact CD1-CD2 4.43Å
754	L	92.3	Very high	89.9	Confident	46 Å²	46	41.1 Å²	41.1	24%	0.241	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-33.9	-170.5	-68.7	170.6	0	0	0	113.6	A751 E758 L806 R809	A751-L754 HydrophobicContact CB-CD1 4.05Å; A751-L754 WeakPolarHBondContact O-CB 3.49Å; A751-L754 PolarHBondContact O-N 3.16Å; L754-E758 PolarHBondContact O-N 3.19Å; L754-L806 HydrophobicContact CD2-CB 4.12Å; L754-L806 HydrophobicContact CD2-CD1 3.71Å; L754-L806 HydrophobicContact CG-CD1 4.32Å; L754-R809 HydrophobicContact CD2-CG 3.93Å
755	E	91.7	Very high	89.8	Confident	50 Å²	50	43.8 Å²	43.8	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-58.1	176.2	-167.7	-170.2	-169.8	0	0	109.9	L753 M757 E758 Q759 S761 S763	L753-E755 PolarHBondContact O-N 3.13Å; E755-M757 PolarHBondContact O-N 3.33Å; E755-E758 PolarHBondContact O-N 2.96Å; E755-Q759 WeakPolarHBondContact O-CB 3.24Å; E755-Q759 PolarHBondContact O-N 2.73Å; E755-S761 WeakPolarHBondContact CG-O 3.33Å; E755-S763 VanDerWaalsContact OE1-CB 3.25Å; E755-S763 WeakPolarHBondContact OE1-CB 3.43Å; E755-S763 PolarHBondContact OE1-N 3.16Å; E755-S763 PolarHBondContact OE1-OG 2.81Å; E755-S763 PolarHBondContact OE2-N 2.83Å
756	A	92.4	Very high	89.6	Confident	3 Å²	3	48 Å²	48	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-38.4	-178.4	0	0	0	0	0	113.4	L730 L753 Q760 S761 V762 A775	L730-A756 HydrophobicContact CD1-CB 3.97Å; L753-A756 PolarHBondContact O-N 3.46Å; A756-Q760 VanDerWaalsContact O-CA 3.23Å; A756-Q760 WeakPolarHBondContact O-CA 3.45Å; A756-Q760 PolarHBondContact O-N 3.36Å; A756-S761 WeakPolarHBondContact CA-O 3.32Å; A756-S761 PolarHBondContact N-O 3.08Å; A756-V762 HydrophobicContact CB-CG2 4.15Å; A756-A775 HydrophobicContact CB-CB 4.16Å
757	M	93	Very high	89	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-72.9	-26.4	-179.2	-72.4	-178.2	75.3	0	0	114	R666 H670 L753 E755 V779 L806 R809 F810	R666-M757 WeakPolarHBondContact CD-O 3.43Å; R666-M757 PolarHBondContact NE-O 2.98Å; H670-M757 HydrophobicContact CB-CE 3.87Å; H670-M757 WeakPolarHBondContact NE2-CA 3.4Å; H670-M757 PolarHBondContact NE2-O 2.98Å; L753-M757 HydrophobicContact CB-CG 4.46Å; L753-M757 HydrophobicContact CB-SD 4.08Å; L753-M757 WeakPolarHBondContact O-CB 3.47Å; L753-M757 WeakPolarHBondContact O-CG 3.44Å; L753-M757 PolarHBondContact O-N 3.35Å; E755-M757 PolarHBondContact O-N 3.33Å; M757-V779 HydrophobicContact CE-CB 4.24Å; M757-V779 HydrophobicContact CE-CG1 4.49Å; M757-V779 HydrophobicContact CG-CG2 3.86Å; M757-V779 HydrophobicContact SD-CG2 4.31Å; M757-L806 HydrophobicContact SD-CD1 3.68Å; M757-R809 HydrophobicContact CB-CB 4.18Å; M757-R809 HydrophobicContact CB-CG 4.47Å; M757-R809 HydrophobicContact CE-CB 3.74Å; M757-R809 HydrophobicContact SD-CB 4.28Å; M757-F810 HydrophobicContact CE-CD1 3.98Å; M757-F810 HydrophobicContact CE-CD2 4.23Å; M757-F810 HydrophobicContact CE-CE1 3.79Å; M757-F810 HydrophobicContact CE-CE2 4.04Å; M757-F810 HydrophobicContact CE-CG 4.22Å; M757-F810 HydrophobicContact CE-CZ 3.82Å
758	E	88	Confident	88.7	Confident	56 Å²	56	48.5 Å²	48.5	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-99.3	-56.7	178.6	-172.4	85.2	136.7	0	0	112.5	L754 E755 Q760 R809 R949	L754-E758 PolarHBondContact O-N 3.19Å; E755-E758 PolarHBondContact O-N 2.96Å; E758-Q760 VanDerWaalsContact C-N 3.33Å; E758-R809 IonicContact OE1-CZ 3.5Å; E758-R809 IonicContact OE1-NH1 2.74Å; E758-R809 PolarHBondContact OE1-NH1 3.18Å; E758-R809 IonicContact OE2-CZ 3.9Å; E758-R809 IonicContact OE2-NH1 3.3Å; E758-R809 PolarHBondContact OE2-NH1 3.19Å; E758-R949 IonicContact OE1-CZ 3.8Å; E758-R949 IonicContact OE1-NE 3.56Å; E758-R949 PolarHBondContact OE1-NE 2.72Å; E758-R949 IonicContact OE1-NH2 2.66Å
759	Q	88.3	Confident	88.5	Confident	131 Å²	131	50 Å²	50	61%	0.612	30%	0.303	S	S	*	.	H	α-helix	trans	-82.2	-14.7	-173.5	-59.5	-178.1	-2.7	0	0	112.5	E755 S761	E755-Q759 WeakPolarHBondContact O-CB 3.24Å; E755-Q759 PolarHBondContact O-N 2.73Å; Q759-S761 PolarHBondContact O-N 3.42Å
760	Q	90.4	Very high	88.5	Confident	11 Å²	11	51 Å²	51	5%	0.051	31%	0.313	C	S	.	.	S	Bend	trans	57.6	30	-173.6	-48.1	-150.7	-86.6	0	0	114.3	R666 A756 E758 A775 R776	R666-Q760 VanDerWaalsContact CA-OE1 3.27Å; R666-Q760 VanDerWaalsContact CB-CD 3.41Å; R666-Q760 HydrophobicContact CB-CG 3.53Å; A756-Q760 VanDerWaalsContact O-CA 3.23Å; A756-Q760 WeakPolarHBondContact O-CA 3.45Å; A756-Q760 PolarHBondContact O-N 3.36Å; E758-Q760 VanDerWaalsContact C-N 3.33Å; Q760-A775 CarbonylContact O-C 3.48Å; Q760-A775 PolarHBondContact O-N 3.19Å; Q760-R776 HydrophobicContact CB-CB 4.18Å; Q760-R776 HydrophobicContact CB-CG 3.54Å; Q760-R776 HydrophobicContact CG-CG 4.34Å
761	S	91.1	Very high	88.5	Confident	18 Å²	18	51 Å²	51	13%	0.126	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	165.9	177.9	60.3	0	0	0	0	111.2	E755 A756 Q759 N772 L773	E755-S761 WeakPolarHBondContact CG-O 3.33Å; A756-S761 WeakPolarHBondContact CA-O 3.32Å; A756-S761 PolarHBondContact N-O 3.08Å; Q759-S761 PolarHBondContact O-N 3.42Å; S761-N772 WeakPolarHBondContact CB-OD1 3.44Å; S761-L773 CarbonylContact C-O 3.47Å; S761-L773 VanDerWaalsContact CA-O 3.25Å; S761-L773 WeakPolarHBondContact CA-O 3.17Å
762	V	91.8	Very high	88.7	Confident	4 Å²	4	52 Å²	52	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	119	171.5	176.1	0	0	0	0	108.6	T709 V710 V731 A756 V764 N772 L773 A775	T709-V762 HydrophobicContact CG2-CG1 4.36Å; T709-V762 HydrophobicContact CG2-CG2 4.1Å; V710-V762 HydrophobicContact CG2-CB 4.43Å; V710-V762 HydrophobicContact CG2-CG1 3.87Å; V731-V762 HydrophobicContact CG2-CG2 4.33Å; A756-V762 HydrophobicContact CB-CG2 4.15Å; V762-V764 HydrophobicContact CG1-CG2 4.15Å; V762-N772 PolarHBondContact O-OD1 2.98Å; V762-L773 PolarHBondContact N-O 2.81Å; V762-L773 PolarHBondContact O-N 3.28Å; V762-A775 HydrophobicContact CG2-CB 4Å
763	S	90.6	Very high	88.7	Confident	73 Å²	73	50.1 Å²	50.1	51%	0.51	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	139.1	172.9	60.6	0	0	0	0	111.7	E755 A771	E755-S763 VanDerWaalsContact OE1-CB 3.25Å; E755-S763 WeakPolarHBondContact OE1-CB 3.43Å; E755-S763 PolarHBondContact OE1-N 3.16Å; E755-S763 PolarHBondContact OE1-OG 2.81Å; E755-S763 PolarHBondContact OE2-N 2.83Å; S763-A771 WeakPolarHBondContact CA-O 3.37Å
764	V	89.7	Confident	88.5	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.097	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	117.6	-178.8	-176.3	0	0	0	0	108.9	V710 T712 L725 V762 R766 V770 A771	V710-V764 HydrophobicContact CB-CG2 3.7Å; V710-V764 HydrophobicContact CG1-CG2 3.91Å; V710-V764 HydrophobicContact CG2-CG2 3.82Å; T712-V764 HydrophobicContact CG2-CG1 4.18Å; L725-V764 HydrophobicContact CD2-CG1 4.38Å; V762-V764 HydrophobicContact CG1-CG2 4.15Å; V764-R766 HydrophobicContact CG1-CB 4.4Å; V764-V770 CarbonylContact O-C 3.45Å; V764-V770 VanDerWaalsContact O-CA 3.28Å; V764-V770 WeakPolarHBondContact O-CA 3.35Å; V764-A771 PolarHBondContact N-O 3.04Å; V764-A771 PolarHBondContact O-N 3.27Å
765	A	88.2	Confident	88.4	Confident	81 Å²	81	49.1 Å²	49.1	67%	0.669	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	85.8	174	0	0	0	0	0	109.3	L769 V770	A765-L769 CarbonylContact C-O 3.49Å; A765-L769 WeakPolarHBondContact CA-O 3.05Å; A765-V770 HydrophobicContact CB-CG2 4.4Å
766	R	86.8	Confident	88.3	Confident	171 Å²	171	47.9 Å²	47.9	65%	0.645	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150	141.9	-173.2	-75.5	-171.6	180	-169.1	1	111.7	T712 V764 G768 L769	T712-R766 HydrophobicContact CG2-CB 3.55Å; V764-R766 HydrophobicContact CG1-CB 4.4Å; R766-G768 PolarHBondContact O-N 3.28Å; R766-L769 PolarHBondContact N-O 3.09Å; R766-L769 WeakPolarHBondContact O-CB 3.48Å; R766-L769 PolarHBondContact O-N 3.25Å
767	G	78.6	Confident	88.2	Confident	42 Å²	42	47.8 Å²	47.8	43%	0.433	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	15.7	177.9	0	0	0	0	0	115	F723 L769	F723-G767 WeakPolarHBondContact CD2-O 3.25Å; G767-L769 VanDerWaalsContact C-N 3.27Å
768	G	81.4	Confident	88.3	Confident	78 Å²	78	48 Å²	48	80%	0.804	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-9.6	-170	0	0	0	0	0	114.2	R766	R766-G768 PolarHBondContact O-N 3.28Å
769	L	81.8	Confident	88.7	Confident	53 Å²	53	45.4 Å²	45.4	28%	0.277	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.4	170.8	-55.2	175.6	0	0	0	109.6	F723 L725 A765 R766 G767	F723-L769 HydrophobicContact CB-CD1 3.71Å; F723-L769 HydrophobicContact CB-CG 4.06Å; L725-L769 HydrophobicContact CD2-CB 4.38Å; L725-L769 HydrophobicContact CD2-CD1 3.63Å; L725-L769 HydrophobicContact CG-CD1 3.92Å; A765-L769 CarbonylContact C-O 3.49Å; A765-L769 WeakPolarHBondContact CA-O 3.05Å; R766-L769 PolarHBondContact N-O 3.09Å; R766-L769 WeakPolarHBondContact O-CB 3.48Å; R766-L769 PolarHBondContact O-N 3.25Å; G767-L769 VanDerWaalsContact C-N 3.27Å
770	V	88.1	Confident	89	Confident	126 Å²	126	39.1 Å²	39.1	76%	0.764	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.7	170.5	-178.2	0	0	0	0	108	V764 A765	V764-V770 CarbonylContact O-C 3.45Å; V764-V770 VanDerWaalsContact O-CA 3.28Å; V764-V770 WeakPolarHBondContact O-CA 3.35Å; A765-V770 HydrophobicContact CB-CG2 4.4Å
771	A	85.9	Confident	89.3	Confident	25 Å²	25	38.7 Å²	38.7	21%	0.207	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151	-177.6	0	0	0	0	0	111.3	L725 S763 V764 L773	L725-A771 HydrophobicContact CD1-CB 3.76Å; S763-A771 WeakPolarHBondContact CA-O 3.37Å; V764-A771 PolarHBondContact N-O 3.04Å; V764-A771 PolarHBondContact O-N 3.27Å; A771-L773 HydrophobicContact CB-CD2 4.43Å; A771-L773 HydrophobicContact CB-CG 4.48Å
772	N	89.7	Confident	89.5	Confident	65 Å²	65	37.9 Å²	37.9	35%	0.348	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	108	171	-173.3	11.6	0	0	0	109.4	R449 S761 V762	R449-N772 PolarHBondContact NH2-O 2.95Å; S761-N772 WeakPolarHBondContact CB-OD1 3.44Å; V762-N772 PolarHBondContact O-OD1 2.98Å
773	L	89.9	Confident	89.7	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.4	-169	-60.3	-176	0	0	0	111.2	I383 P384 V710 V731 S761 V762 A771	I383-L773 HydrophobicContact CB-CD2 3.84Å; I383-L773 HydrophobicContact CD1-CD2 4.18Å; I383-L773 HydrophobicContact CG1-CD2 4.42Å; I383-L773 HydrophobicContact CG2-CD2 4.29Å; P384-L773 HydrophobicContact CB-CD1 4.11Å; P384-L773 HydrophobicContact CG-CD1 4.05Å; V710-L773 HydrophobicContact CG1-CD1 4.16Å; V710-L773 HydrophobicContact CG2-CD1 3.82Å; V731-L773 HydrophobicContact CG1-CB 4.23Å; V731-L773 HydrophobicContact CG1-CD1 4.43Å; V731-L773 HydrophobicContact CG2-CB 4.23Å; S761-L773 CarbonylContact C-O 3.47Å; S761-L773 VanDerWaalsContact CA-O 3.25Å; S761-L773 WeakPolarHBondContact CA-O 3.17Å; V762-L773 PolarHBondContact N-O 2.81Å; V762-L773 PolarHBondContact O-N 3.28Å; A771-L773 HydrophobicContact CB-CD2 4.43Å; A771-L773 HydrophobicContact CB-CG 4.48Å
774	P	88.6	Confident	89.8	Confident	24 Å²	24	35.6 Å²	35.6	16%	0.156	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	140.1	-180	31.6	-35.1	0	0	0	110.8	I383	I383-P774 HydrophobicContact CD1-CG 3.93Å
775	A	91	Very high	89.9	Confident	2 Å²	2	35 Å²	35	2%	0.017	22%	0.223	C	C	.	.			trans	-142.5	47.3	-176.7	0	0	0	0	0	110.4	L730 V731 A756 Q760 V762 A777	L730-A775 HydrophobicContact CB-CB 4.38Å; V731-A775 HydrophobicContact CG2-CB 4.36Å; A756-A775 HydrophobicContact CB-CB 4.16Å; Q760-A775 CarbonylContact O-C 3.48Å; Q760-A775 PolarHBondContact O-N 3.19Å; V762-A775 HydrophobicContact CG2-CB 4Å; A775-A777 PolarHBondContact O-N 2.93Å
776	R	89.4	Confident	89.9	Confident	23 Å²	23	36 Å²	36	9%	0.087	22%	0.216	C	C	.	.			trans	-77.1	34.2	-177	-55.9	162.9	-69.2	-172.8	-12.8	113.3	G441 D734 Q735 Q760	G441-R776 VanDerWaalsContact C-NH1 3.28Å; G441-R776 VanDerWaalsContact O-CZ 3.22Å; G441-R776 PolarHBondContact O-NH1 3.02Å; G441-R776 PolarHBondContact O-NH2 3.18Å; D734-R776 WeakPolarHBondContact OD1-CA 3.46Å; D734-R776 WeakPolarHBondContact OD1-CB 3.29Å; D734-R776 WeakPolarHBondContact OD1-CG 3.46Å; D734-R776 IonicContact OD1-CZ 2.82Å; D734-R776 PolarHBondContact OD1-N 2.93Å; D734-R776 IonicContact OD1-NE 3.91Å; D734-R776 PolarHBondContact OD1-NE 3.4Å; D734-R776 IonicContact OD1-NH2 3.79Å; D734-R776 IonicContact OD2-CZ 3.17Å; D734-R776 IonicContact OD2-NE 3.21Å; D734-R776 PolarHBondContact OD2-NE 3.11Å; D734-R776 IonicContact OD2-NH2 2.66Å; D734-R776 PolarHBondContact OD2-NH2 3.4Å; Q735-R776 VanDerWaalsContact NE2-NH2 3.16Å; Q760-R776 HydrophobicContact CB-CB 4.18Å; Q760-R776 HydrophobicContact CB-CG 3.54Å; Q760-R776 HydrophobicContact CG-CG 4.34Å
777	A	90.7	Very high	89.9	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.008	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72.9	137.6	175.2	0	0	0	0	0	110.4	H670 A733 G736 C738 A775 V779	H670-A777 PolarHBondContact CE1-O 3.11Å; A733-A777 HydrophobicContact CB-CB 3.9Å; A733-A777 WeakPolarHBondContact O-CB 3.41Å; G736-A777 WeakPolarHBondContact O-CA 3.25Å; C738-A777 HydrophobicContact CB-CB 4.09Å; A775-A777 PolarHBondContact O-N 2.93Å; A777-V779 PolarHBondContact O-N 2.93Å
778	A	94.1	Very high	90.2	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.033	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.7	163.5	0	0	0	0	0	109.1	A668 G736 C737 C738 L780	A668-A778 HydrophobicContact CB-CB 4.12Å; G736-A778 PolarHBondContact O-N 3Å; C737-A778 CarbonylContact C-O 3.45Å; C737-A778 VanDerWaalsContact CA-O 3.28Å; C737-A778 WeakPolarHBondContact CA-O 3.14Å; C738-A778 PolarHBondContact N-O 2.69Å; A778-L780 PolarHBondContact O-N 2.92Å
779	V	95.7	Very high	90.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.7	174.9	-179.6	0	0	0	0	108.7	H670 V671 L730 C738 I740 M757 A777 F810	H670-V779 VanDerWaalsContact CA-O 3.32Å; H670-V779 WeakPolarHBondContact CA-O 3.14Å; H670-V779 PolarHBondContact ND1-N 3.13Å; V671-V779 PolarHBondContact N-O 3.19Å; L730-V779 HydrophobicContact CD2-CG2 4.14Å; C738-V779 WeakPolarHBondContact O-CA 3.25Å; I740-V779 HydrophobicContact CD1-CG1 4.25Å; M757-V779 HydrophobicContact CE-CB 4.24Å; M757-V779 HydrophobicContact CE-CG1 4.49Å; M757-V779 HydrophobicContact CG-CG2 3.86Å; M757-V779 HydrophobicContact SD-CG2 4.31Å; A777-V779 PolarHBondContact O-N 2.93Å; V779-F810 HydrophobicContact CG1-CE1 4.15Å; V779-F810 HydrophobicContact CG1-CZ 4.45Å
780	L	96.1	Very high	90.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.3	171.9	-56.3	-179.5	0	0	0	107.3	L529 A532 L533 V671 L685 A688 C737 C738 C739 I740 A778	L529-L780 HydrophobicContact CD2-CD1 4.42Å; L529-L780 HydrophobicContact CD2-CD2 4.29Å; A532-L780 HydrophobicContact CB-CD2 3.76Å; L533-L780 HydrophobicContact CD2-CD1 4.31Å; V671-L780 HydrophobicContact CB-CD2 3.95Å; V671-L780 HydrophobicContact CG2-CD2 4.08Å; V671-L780 WeakPolarHBondContact O-CA 3.39Å; L685-L780 HydrophobicContact CD1-CB 3.6Å; A688-L780 HydrophobicContact CB-CD1 4.12Å; C737-L780 HydrophobicContact CB-CD1 4.27Å; C738-L780 PolarHBondContact O-N 2.75Å; C739-L780 CarbonylContact C-O 3.6Å; C739-L780 VanDerWaalsContact CA-O 3.29Å; C739-L780 WeakPolarHBondContact CA-O 3.32Å; I740-L780 PolarHBondContact N-O 2.75Å; A778-L780 PolarHBondContact O-N 2.92Å
781	A	95.9	Very high	90.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.1	-171.2	0	0	0	0	0	112.2	V671 L672 I673 I740 F743 F810	V671-A781 PolarHBondContact O-N 3.12Å; L672-A781 CarbonylContact C-O 3.51Å; L672-A781 WeakPolarHBondContact CA-O 3.35Å; L672-A781 HydrophobicContact CD1-CB 3.58Å; I673-A781 PolarHBondContact N-O 2.87Å; I740-A781 WeakPolarHBondContact O-CA 3.23Å; F743-A781 HydrophobicContact CB-CB 4.26Å; F743-A781 HydrophobicContact CD2-CB 3.59Å; F743-A781 HydrophobicContact CE2-CB 4.1Å; F743-A781 HydrophobicContact CG-CB 4.05Å; A781-F810 HydrophobicContact CB-CE1 3.91Å; A781-F810 HydrophobicContact CB-CZ 3.96Å
782	A	95.8	Very high	90	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.9	168.3	0	0	0	0	0	110	I673 K681 L685 I740 E742 F743	I673-A782 WeakPolarHBondContact O-CA 3.25Å; K681-A782 HydrophobicContact CB-CB 4.25Å; L685-A782 HydrophobicContact CD2-CB 4.05Å; I740-A782 PolarHBondContact O-N 3.25Å; E742-A782 PolarHBondContact N-O 2.72Å; F743-A782 WeakPolarHBondContact CB-O 3.48Å; F743-A782 PolarHBondContact N-O 3.24Å
783	A	94.7	Very high	89.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.7	-178.4	0	0	0	0	0	112	L672 I673 V674 G675 K681 F743 D744 L800 I802	L672-A783 HydrophobicContact CD1-CB 4.01Å; I673-A783 PolarHBondContact O-N 3.33Å; V674-A783 WeakPolarHBondContact CA-O 3.25Å; G675-A783 PolarHBondContact N-O 2.86Å; K681-A783 VanDerWaalsContact CE-O 3.24Å; K681-A783 WeakPolarHBondContact CE-O 3.37Å; F743-A783 HydrophobicContact CB-CB 4.27Å; D744-A783 HydrophobicContact CB-CB 4.43Å; D744-A783 WeakPolarHBondContact OD1-CA 3.31Å; A783-L800 HydrophobicContact CB-CD2 4.25Å; A783-I802 HydrophobicContact CB-CD1 4.36Å
784	N	92.9	Very high	88.7	Confident	29 Å²	29	39.8 Å²	39.8	16%	0.155	21%	0.207	C	C	.	.			trans	-101.5	149.1	170.6	-48.1	-79.1	0	0	0	110.2	K681 D744	K681-N784 WeakPolarHBondContact CE-OD1 3.28Å; K681-N784 PolarHBondContact NZ-OD1 2.84Å; D744-N784 PolarHBondContact OD1-N 2.96Å; D744-N784 PolarHBondContact OD1-ND2 3.36Å; D744-N784 VanDerWaalsContact OD1-ND2 3.11Å; D744-N784 PolarHBondContact OD2-ND2 2.93Å
785	P	91.7	Very high	88.1	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.026	21%	0.212	C	C	.	.			trans	-68.8	152.1	170.1	30.4	-34.9	0	0	0	110.8	G675 N787 G788 Y790 N799	G675-P785 WeakPolarHBondContact O-CD 3.31Å; P785-N787 VanDerWaalsContact C-N 3.26Å; P785-N787 PolarHBondContact O-N 3.27Å; P785-N787 VanDerWaalsContact O-N 3.13Å; P785-G788 PolarHBondContact O-N 3.34Å; P785-Y790 HydrophobicContact CB-CD2 4.45Å; P785-N799 CarbonylContact C-O 3.45Å; P785-N799 VanDerWaalsContact CA-O 3.27Å; P785-N799 WeakPolarHBondContact CA-O 3.46Å
786	I	88.8	Confident	87.6	Confident	103 Å²	103	42.2 Å²	42.2	53%	0.528	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-38.9	-169.4	-66.8	167.5	0	0	0	113.1	N799 R801	I786-N799 WeakPolarHBondContact CG1-O 3.41Å; I786-N799 PolarHBondContact N-O 3.33Å; I786-R801 HydrophobicContact CG1-CB 4.29Å
787	N	86.3	Confident	87.1	Confident	109 Å²	109	43.9 Å²	43.9	58%	0.583	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	11.5	-177.3	-64.3	-26.6	0	0	0	113.5	P785 H789	P785-N787 VanDerWaalsContact C-N 3.26Å; P785-N787 PolarHBondContact O-N 3.27Å; P785-N787 VanDerWaalsContact O-N 3.13Å; N787-H789 PolarHBondContact O-N 3.39Å
788	G	85.7	Confident	86.7	Confident	26 Å²	26	48.5 Å²	48.5	27%	0.268	25%	0.245	S	C	.	.	S	Bend	trans	78.4	-32.2	-171.1	0	0	0	0	0	113.9	P677 P785	P677-G788 WeakPolarHBondContact CD-O 3.28Å; P785-G788 PolarHBondContact O-N 3.34Å
789	H	86.6	Confident	86.4	Confident	129 Å²	129	48.6 Å²	48.6	60%	0.597	25%	0.245	S	C	*	.	S	Bend	trans	-109.9	143.4	173.8	-64.6	-69.4	0	0	0	112.4	D676 N787	D676-H789 IonicContact OD2-CE1 3.58Å; D676-H789 IonicContact OD2-CG 2.68Å; D676-H789 IonicContact OD2-ND1 2.72Å; D676-H789 PolarHBondContact OD2-ND1 2.64Å; N787-H789 PolarHBondContact O-N 3.39Å
790	Y	84.9	Confident	85.8	Confident	39 Å²	39	48.7 Å²	48.7	15%	0.153	25%	0.246	C	C	.	.			trans	-79.1	116	176.5	-168.9	-78.2	0	0	0	111.3	V674 D676 P785 I792 L796 N799 V815 L817	V674-Y790 HydrophobicContact CG1-CD2 3.98Å; V674-Y790 HydrophobicContact CG1-CE2 4.09Å; D676-Y790 PolarHBondContact OD1-N 2.81Å; P785-Y790 HydrophobicContact CB-CD2 4.45Å; Y790-I792 HydrophobicContact CD1-CG1 4.33Å; Y790-I792 PolarHBondContact O-N 3.19Å; Y790-L796 HydrophobicContact CE2-CD1 3.88Å; Y790-N799 HydrophobicContact CD2-CB 4.17Å; Y790-N799 HydrophobicContact CE2-CB 3.85Å; Y790-V815 HydrophobicContact CD1-CG1 4.33Å; Y790-V815 HydrophobicContact CD2-CG1 3.78Å; Y790-V815 HydrophobicContact CE1-CG1 4.2Å; Y790-V815 HydrophobicContact CE2-CG1 3.62Å; Y790-V815 HydrophobicContact CE2-CG2 4.25Å; Y790-V815 HydrophobicContact CG-CG1 4.14Å; Y790-L817 HydrophobicContact CD1-CD2 3.47Å; Y790-L817 VanDerWaalsContact CD1-CD2 3.47Å; Y790-L817 HydrophobicContact CE1-CD2 4.29Å; Y790-L817 HydrophobicContact CG-CD2 3.61Å
791	D	82.6	Confident	85.3	Confident	45 Å²	45	57.9 Å²	57.9	24%	0.241	28%	0.28	C	S	.	.			trans	-82.9	103.5	178	-170.9	-18.9	0	0	0	110.3	T793 R794 N799	D791-T793 PolarHBondContact O-N 3.14Å; D791-T793 VanDerWaalsContact O-N 3.11Å; D791-T793 WeakPolarHBondContact OD1-CB 3.45Å; D791-T793 PolarHBondContact OD1-N 2.84Å; D791-T793 PolarHBondContact OD1-OG1 3.09Å; D791-R794 HydrophobicContact CB-CB 4.29Å; D791-R794 HydrophobicContact CB-CG 4.04Å; D791-R794 PolarHBondContact O-N 2.87Å; D791-R794 IonicContact OD2-CZ 3.28Å; D791-R794 IonicContact OD2-NE 2.67Å; D791-R794 PolarHBondContact OD2-NE 2.94Å; D791-R794 IonicContact OD2-NH2 3.88Å; D791-N799 PolarHBondContact N-OD1 3.17Å; D791-N799 PolarHBondContact O-ND2 3.4Å
792	I	78.7	Confident	84.8	Confident	69 Å²	69	58.1 Å²	58.1	35%	0.354	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.8	179.8	-62.4	171.5	0	0	0	112.5	Y790 L817 A993	Y790-I792 HydrophobicContact CD1-CG1 4.33Å; Y790-I792 PolarHBondContact O-N 3.19Å; I792-L817 HydrophobicContact CD1-CD1 3.91Å; I792-L817 HydrophobicContact CG1-CD1 4.04Å; I792-L817 HydrophobicContact CG1-CD2 4.44Å; I792-A993 HydrophobicContact CG2-CB 4.39Å
793	T	75.6	Confident	84.4	Confident	114 Å²	114	61.1 Å²	61.1	70%	0.699	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.8	177	73.1	0	0	0	0	113.7	D791	D791-T793 PolarHBondContact O-N 3.14Å; D791-T793 VanDerWaalsContact O-N 3.11Å; D791-T793 WeakPolarHBondContact OD1-CB 3.45Å; D791-T793 PolarHBondContact OD1-N 2.84Å; D791-T793 PolarHBondContact OD1-OG1 3.09Å
794	R	77.1	Confident	83.8	Confident	110 Å²	110	64.3 Å²	64.3	42%	0.415	32%	0.323	S	S	.	.	S	Bend	trans	-102.5	162.6	-179	-64.2	-178.8	-156.1	-137.7	-3.1	112.1	D791 E798 N799	D791-R794 HydrophobicContact CB-CB 4.29Å; D791-R794 HydrophobicContact CB-CG 4.04Å; D791-R794 PolarHBondContact O-N 2.87Å; D791-R794 IonicContact OD2-CZ 3.28Å; D791-R794 IonicContact OD2-NE 2.67Å; D791-R794 PolarHBondContact OD2-NE 2.94Å; D791-R794 IonicContact OD2-NH2 3.88Å; R794-E798 HydrophobicContact CB-CB 4.08Å; R794-N799 WeakPolarHBondContact CB-ND2 3.41Å; R794-N799 PolarHBondContact O-ND2 2.8Å
795	R	76.5	Confident	83.4	Confident	69 Å²	69	65.5 Å²	65.5	26%	0.26	34%	0.337	S	S	.	.			trans	-71.3	163.3	173.5	-56.6	171.4	175.1	-138.2	-3	111.6	D797 E798 N799 R941 D942 I992	R795-D797 VanDerWaalsContact C-N 3.34Å; R795-D797 WeakPolarHBondContact CB-OD1 3.5Å; R795-D797 PolarHBondContact O-N 3.18Å; R795-E798 HydrophobicContact CB-CB 4.23Å; R795-E798 HydrophobicContact CB-CG 3.98Å; R795-E798 HydrophobicContact CG-CG 4.45Å; R795-E798 WeakPolarHBondContact CG-OE2 3.43Å; R795-E798 PolarHBondContact N-OE2 2.88Å; R795-E798 PolarHBondContact O-N 2.98Å; R795-N799 WeakPolarHBondContact O-CB 3.29Å; R795-N799 PolarHBondContact O-N 3.44Å; R795-N799 PolarHBondContact O-ND2 3.18Å; R795-R941 VanDerWaalsContact CZ-O 3.24Å; R795-R941 PolarHBondContact NH1-O 2.84Å; R795-R941 VanDerWaalsContact NH1-O 3.1Å; R795-R941 VanDerWaalsContact NH2-C 3.28Å; R795-R941 PolarHBondContact NH2-O 3.46Å; R795-D942 IonicContact CZ-OD1 2.71Å; R795-D942 VanDerWaalsContact CZ-OD1 3.28Å; R795-D942 IonicContact NE-OD1 2.82Å; R795-D942 PolarHBondContact NE-OD1 3.25Å; R795-D942 IonicContact NH2-OD1 2.75Å; R795-D942 PolarHBondContact NH2-OD1 3.15Å; R795-I992 HydrophobicContact CB-CD1 4.34Å; R795-I992 HydrophobicContact CG-CD1 4.01Å
796	L	79	Confident	83.3	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.042	34%	0.336	C	S	.	.	H	α-helix	trans	-66.9	-34.9	179.3	-178.8	63.6	0	0	0	112.3	Y790 L800 I813 V815 F944	Y790-L796 HydrophobicContact CE2-CD1 3.88Å; L796-L800 HydrophobicContact CD1-CD1 3.66Å; L796-L800 HydrophobicContact CD1-CG 4.49Å; L796-L800 HydrophobicContact CG-CD1 4Å; L796-L800 WeakPolarHBondContact O-CB 3.48Å; L796-L800 WeakPolarHBondContact O-CD1 3.46Å; L796-L800 VanDerWaalsContact O-CG 3.3Å; L796-L800 WeakPolarHBondContact O-CG 3.46Å; L796-L800 PolarHBondContact O-N 2.95Å; L796-I813 HydrophobicContact CD2-CB 4.49Å; L796-I813 HydrophobicContact CD2-CD1 4.13Å; L796-I813 HydrophobicContact CD2-CG2 4.02Å; L796-V815 HydrophobicContact CD1-CG2 3.78Å; L796-F944 HydrophobicContact CB-CE2 3.68Å; L796-F944 HydrophobicContact CB-CZ 4.01Å; L796-F944 HydrophobicContact CD2-CE2 4.24Å; L796-F944 HydrophobicContact CD2-CZ 4.27Å; L796-F944 HydrophobicContact CG-CE2 4.45Å; L796-F944 HydrophobicContact CG-CZ 4.43Å
797	D	80.8	Confident	83.3	Confident	58 Å²	58	60.5 Å²	60.5	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-78.5	-18.8	174	54.4	-28.2	0	0	0	113.8	R795 L800 L807 F944	R795-D797 VanDerWaalsContact C-N 3.34Å; R795-D797 WeakPolarHBondContact CB-OD1 3.5Å; R795-D797 PolarHBondContact O-N 3.18Å; D797-L800 VanDerWaalsContact O-O 3.08Å; D797-L807 HydrophobicContact CB-CD1 3.86Å; D797-F944 HydrophobicContact CB-CZ 4.03Å
798	E	82.2	Confident	83.3	Confident	98 Å²	98	56.8 Å²	56.8	46%	0.458	29%	0.294	S	S	.	.	H	α-helix	trans	-84.1	-28.6	168.9	-67.5	170.9	163.2	0	0	112.4	R794 R795	R794-E798 HydrophobicContact CB-CB 4.08Å; R795-E798 HydrophobicContact CB-CB 4.23Å; R795-E798 HydrophobicContact CB-CG 3.98Å; R795-E798 HydrophobicContact CG-CG 4.45Å; R795-E798 WeakPolarHBondContact CG-OE2 3.43Å; R795-E798 PolarHBondContact N-OE2 2.88Å; R795-E798 PolarHBondContact O-N 2.98Å
799	N	86.2	Confident	83.5	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.032	29%	0.288	C	S	.	.	H	α-helix	trans	-77	-19.2	175	-89.2	-68.9	0	0	0	113.4	P785 I786 Y790 D791 R794 R795	P785-N799 CarbonylContact C-O 3.45Å; P785-N799 VanDerWaalsContact CA-O 3.27Å; P785-N799 WeakPolarHBondContact CA-O 3.46Å; I786-N799 WeakPolarHBondContact CG1-O 3.41Å; I786-N799 PolarHBondContact N-O 3.33Å; Y790-N799 HydrophobicContact CD2-CB 4.17Å; Y790-N799 HydrophobicContact CE2-CB 3.85Å; D791-N799 PolarHBondContact N-OD1 3.17Å; D791-N799 PolarHBondContact O-ND2 3.4Å; R794-N799 WeakPolarHBondContact CB-ND2 3.41Å; R794-N799 PolarHBondContact O-ND2 2.8Å; R795-N799 WeakPolarHBondContact O-CB 3.29Å; R795-N799 PolarHBondContact O-N 3.44Å; R795-N799 PolarHBondContact O-ND2 3.18Å
800	L	84.8	Confident	83.8	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-124.3	141.4	-170.6	-68.3	170.7	0	0	0	112.1	V674 A783 L796 D797 I802 L807	V674-L800 HydrophobicContact CG1-CD1 4.29Å; V674-L800 HydrophobicContact CG1-CD2 3.87Å; V674-L800 HydrophobicContact CG1-CG 4.4Å; V674-L800 HydrophobicContact CG2-CD1 3.71Å; V674-L800 HydrophobicContact CG2-CD2 4.18Å; A783-L800 HydrophobicContact CB-CD2 4.25Å; L796-L800 HydrophobicContact CD1-CD1 3.66Å; L796-L800 HydrophobicContact CD1-CG 4.49Å; L796-L800 HydrophobicContact CG-CD1 4Å; L796-L800 WeakPolarHBondContact O-CB 3.48Å; L796-L800 WeakPolarHBondContact O-CD1 3.46Å; L796-L800 VanDerWaalsContact O-CG 3.3Å; L796-L800 WeakPolarHBondContact O-CG 3.46Å; L796-L800 PolarHBondContact O-N 2.95Å; D797-L800 VanDerWaalsContact O-O 3.08Å; L800-I802 HydrophobicContact CB-CB 4.34Å; L800-I802 HydrophobicContact CB-CD1 4.26Å; L800-I802 HydrophobicContact CB-CG1 4.19Å; L800-I802 HydrophobicContact CD1-CD1 4.31Å; L800-I802 HydrophobicContact CD2-CD1 4.49Å; L800-I802 PolarHBondContact O-N 2.81Å; L800-L807 HydrophobicContact CD1-CD2 4.2Å
801	R	84.7	Confident	84.2	Confident	193 Å²	193	49.6 Å²	49.6	73%	0.728	25%	0.253	S	S	*	.	S	Bend	trans	-79.2	45	174	-158.4	-175.2	179.5	-172.8	-0.8	112.3	I786	I786-R801 HydrophobicContact CG1-CB 4.29Å
802	I	85.8	Confident	84.6	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.036	24%	0.242	C	C	.	.	S	Bend	trans	-132.1	125.3	-171	-53.7	173.3	0	0	0	109.3	L672 F743 A783 L800 L806 L807	L672-I802 HydrophobicContact CD2-CD1 4.13Å; F743-I802 HydrophobicContact CD1-CD1 3.62Å; F743-I802 HydrophobicContact CD1-CG1 4.11Å; F743-I802 HydrophobicContact CE1-CD1 3.86Å; F743-I802 HydrophobicContact CE1-CG1 4.16Å; F743-I802 HydrophobicContact CE1-CG2 4.17Å; A783-I802 HydrophobicContact CB-CD1 4.36Å; L800-I802 HydrophobicContact CB-CB 4.34Å; L800-I802 HydrophobicContact CB-CD1 4.26Å; L800-I802 HydrophobicContact CB-CG1 4.19Å; L800-I802 HydrophobicContact CD1-CD1 4.31Å; L800-I802 HydrophobicContact CD2-CD1 4.49Å; L800-I802 PolarHBondContact O-N 2.81Å; I802-L806 HydrophobicContact CG2-CB 4.22Å; I802-L806 HydrophobicContact CG2-CD2 4.17Å; I802-L806 HydrophobicContact CG2-CG 4.38Å; I802-L807 HydrophobicContact CB-CD2 4.01Å; I802-L807 HydrophobicContact CB-CG 4.26Å; I802-L807 HydrophobicContact CD1-CD2 4.23Å; I802-L807 HydrophobicContact CG2-CD2 3.71Å; I802-L807 HydrophobicContact CG2-CG 3.87Å
803	P	86.1	Confident	85.2	Confident	64 Å²	64	44.2 Å²	44.2	42%	0.416	23%	0.225	S	C	.	.			trans	-65.5	140.4	-179.9	26.4	-33.7	0	0	0	111.7	A805 L806 L807	P803-A805 PolarHBondContact O-N 3.2Å; P803-A805 VanDerWaalsContact O-N 3.11Å; P803-L806 HydrophobicContact CG-CB 4.05Å; P803-L806 WeakPolarHBondContact O-CA 3.43Å; P803-L806 WeakPolarHBondContact O-CB 3.32Å; P803-L806 PolarHBondContact O-N 3.48Å; P803-L807 PolarHBondContact O-N 3.38Å; P803-L807 VanDerWaalsContact O-N 3.1Å
804	S	82.4	Confident	86	Confident	67 Å²	67	38.8 Å²	38.8	47%	0.469	19%	0.192	S	C	.	.	H	α-helix	trans	-55.1	-31.9	-179.1	59.2	0	0	0	0	113.6	L806 L807 S808	S804-L806 VanDerWaalsContact C-N 3.3Å; S804-L806 PolarHBondContact O-N 3.25Å; S804-L807 PolarHBondContact O-N 2.87Å; S804-S808 PolarHBondContact O-N 2.88Å
805	A	85.7	Confident	86.5	Confident	54 Å²	54	34.4 Å²	34.4	45%	0.446	18%	0.177	S	C	.	.	H	α-helix	trans	-56.7	-40.2	171.8	0	0	0	0	0	112.9	P803 S808	P803-A805 PolarHBondContact O-N 3.2Å; P803-A805 VanDerWaalsContact O-N 3.11Å; A805-S808 PolarHBondContact O-OG 3.47Å
806	L	89.3	Confident	86.9	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-81.9	-36.5	178.5	-172.5	61.5	0	0	0	112.1	F743 P750 L753 L754 M757 I802 P803 S804 S808 R809	F743-L806 HydrophobicContact CE1-CD2 4.1Å; F743-L806 HydrophobicContact CZ-CD2 3.88Å; P750-L806 HydrophobicContact CB-CD2 3.35Å; L753-L806 HydrophobicContact CB-CD1 4.09Å; L753-L806 HydrophobicContact CD1-CD2 4.43Å; L754-L806 HydrophobicContact CD2-CB 4.12Å; L754-L806 HydrophobicContact CD2-CD1 3.71Å; L754-L806 HydrophobicContact CG-CD1 4.32Å; M757-L806 HydrophobicContact SD-CD1 3.68Å; I802-L806 HydrophobicContact CG2-CB 4.22Å; I802-L806 HydrophobicContact CG2-CD2 4.17Å; I802-L806 HydrophobicContact CG2-CG 4.38Å; P803-L806 HydrophobicContact CG-CB 4.05Å; P803-L806 WeakPolarHBondContact O-CA 3.43Å; P803-L806 WeakPolarHBondContact O-CB 3.32Å; P803-L806 PolarHBondContact O-N 3.48Å; S804-L806 VanDerWaalsContact C-N 3.3Å; S804-L806 PolarHBondContact O-N 3.25Å; L806-S808 PolarHBondContact O-N 3.39Å; L806-R809 HydrophobicContact CD1-CB 4.47Å; L806-R809 HydrophobicContact CD1-CG 4.18Å; L806-R809 VanDerWaalsContact O-CB 3.31Å; L806-R809 WeakPolarHBondContact O-CB 3.24Å; L806-R809 PolarHBondContact O-N 3.07Å
807	L	87.8	Confident	87.1	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.2	-39.6	169.8	-65.7	176	0	0	0	110.8	L672 D797 L800 I802 P803 S804 R809 F810 I813 F944	L672-L807 HydrophobicContact CD2-CD2 3.74Å; D797-L807 HydrophobicContact CB-CD1 3.86Å; L800-L807 HydrophobicContact CD1-CD2 4.2Å; I802-L807 HydrophobicContact CB-CD2 4.01Å; I802-L807 HydrophobicContact CB-CG 4.26Å; I802-L807 HydrophobicContact CD1-CD2 4.23Å; I802-L807 HydrophobicContact CG2-CD2 3.71Å; I802-L807 HydrophobicContact CG2-CG 3.87Å; P803-L807 PolarHBondContact O-N 3.38Å; P803-L807 VanDerWaalsContact O-N 3.1Å; S804-L807 PolarHBondContact O-N 2.87Å; L807-R809 PolarHBondContact O-N 3.44Å; L807-R809 VanDerWaalsContact O-N 3.08Å; L807-F810 PolarHBondContact O-N 3.24Å; L807-F810 VanDerWaalsContact O-N 3.15Å; L807-I813 HydrophobicContact CB-CD1 4.24Å; L807-I813 HydrophobicContact CD2-CD1 4.23Å; L807-F944 HydrophobicContact CB-CE1 3.98Å; L807-F944 HydrophobicContact CD1-CE1 3.91Å; L807-F944 HydrophobicContact CD1-CZ 3.82Å
808	S	86.2	Confident	87.1	Confident	31 Å²	31	33.7 Å²	33.7	22%	0.217	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-0.5	175.3	85.3	0	0	0	0	116	S804 A805 L806 R949	S804-S808 PolarHBondContact O-N 2.88Å; A805-S808 PolarHBondContact O-OG 3.47Å; L806-S808 PolarHBondContact O-N 3.39Å; S808-R949 VanDerWaalsContact O-CD 3.26Å; S808-R949 WeakPolarHBondContact O-CD 3.5Å; S808-R949 PolarHBondContact OG-NH1 3.07Å
809	R	90.7	Very high	86.9	Confident	37 Å²	37	33.6 Å²	33.6	14%	0.14	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-21.4	172	-56.5	-57.4	-169	-175.9	5	113	R666 L754 M757 E758 L806 L807 R949	R666-R809 PolarHBondContact NH2-O 3.41Å; L754-R809 HydrophobicContact CD2-CG 3.93Å; M757-R809 HydrophobicContact CB-CB 4.18Å; M757-R809 HydrophobicContact CB-CG 4.47Å; M757-R809 HydrophobicContact CE-CB 3.74Å; M757-R809 HydrophobicContact SD-CB 4.28Å; E758-R809 IonicContact OE1-CZ 3.5Å; E758-R809 IonicContact OE1-NH1 2.74Å; E758-R809 PolarHBondContact OE1-NH1 3.18Å; E758-R809 IonicContact OE2-CZ 3.9Å; E758-R809 IonicContact OE2-NH1 3.3Å; E758-R809 PolarHBondContact OE2-NH1 3.19Å; L806-R809 HydrophobicContact CD1-CB 4.47Å; L806-R809 HydrophobicContact CD1-CG 4.18Å; L806-R809 VanDerWaalsContact O-CB 3.31Å; L806-R809 WeakPolarHBondContact O-CB 3.24Å; L806-R809 PolarHBondContact O-N 3.07Å; L807-R809 PolarHBondContact O-N 3.44Å; L807-R809 VanDerWaalsContact O-N 3.08Å; R809-R949 VanDerWaalsContact NH1-NH2 3.19Å
810	F	92.5	Very high	86.6	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.026	22%	0.216	C	C	.	.			trans	-75.9	135	174.5	-69.6	-80.5	0	0	0	110	H670 L672 F743 M757 V779 A781 L807 I813	H670-F810 HydrophobicContact CB-CD1 3.88Å; H670-F810 HydrophobicContact CB-CE1 4.44Å; L672-F810 HydrophobicContact CB-CB 4.39Å; L672-F810 HydrophobicContact CB-CD1 3.68Å; L672-F810 HydrophobicContact CB-CD2 4.13Å; L672-F810 HydrophobicContact CB-CE1 3.89Å; L672-F810 HydrophobicContact CB-CE2 4.32Å; L672-F810 HydrophobicContact CB-CG 3.8Å; L672-F810 HydrophobicContact CB-CZ 4.21Å; L672-F810 HydrophobicContact CD1-CZ 4.44Å; L672-F810 HydrophobicContact CD2-CD2 4.17Å; L672-F810 HydrophobicContact CD2-CE2 4.17Å; F743-F810 HydrophobicContact CE2-CZ 4.07Å; F743-F810 HydrophobicContact CZ-CE2 4.18Å; F743-F810 AromaticContact CZ-CZ 3.91Å; F743-F810 HydrophobicContact CZ-CZ 3.91Å; M757-F810 HydrophobicContact CE-CD1 3.98Å; M757-F810 HydrophobicContact CE-CD2 4.23Å; M757-F810 HydrophobicContact CE-CE1 3.79Å; M757-F810 HydrophobicContact CE-CE2 4.04Å; M757-F810 HydrophobicContact CE-CG 4.22Å; M757-F810 HydrophobicContact CE-CZ 3.82Å; V779-F810 HydrophobicContact CG1-CE1 4.15Å; V779-F810 HydrophobicContact CG1-CZ 4.45Å; A781-F810 HydrophobicContact CB-CE1 3.91Å; A781-F810 HydrophobicContact CB-CZ 3.96Å; L807-F810 PolarHBondContact O-N 3.24Å; L807-F810 VanDerWaalsContact O-N 3.15Å; F810-I813 HydrophobicContact CB-CD1 4.34Å; F810-I813 HydrophobicContact CB-CG1 3.86Å
811	D	92.7	Very high	86.4	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.235	C	C	.	.	S	Bend	trans	-83.3	-25.8	178.8	-60.9	-74.6	0	0	0	111.6	R666 S669 H670 S953 R956 M982	R666-D811 IonicContact CZ-OD1 3.56Å; R666-D811 IonicContact CZ-OD2 2.92Å; R666-D811 IonicContact NH1-OD1 3.84Å; R666-D811 PolarHBondContact NH1-OD1 3.22Å; R666-D811 IonicContact NH1-OD2 2.87Å; R666-D811 PolarHBondContact NH1-OD2 3.24Å; R666-D811 IonicContact NH2-OD1 3.99Å; R666-D811 PolarHBondContact NH2-OD1 3.22Å; R666-D811 IonicContact NH2-OD2 3.84Å; R666-D811 PolarHBondContact NH2-OD2 3.14Å; S669-D811 VanDerWaalsContact CA-OD2 3.28Å; S669-D811 WeakPolarHBondContact CA-OD2 3.49Å; H670-D811 PolarHBondContact N-OD2 2.99Å; H670-D811 PolarHBondContact O-N 2.91Å; D811-S953 WeakPolarHBondContact OD1-CA 3.44Å; D811-S953 VanDerWaalsContact OD1-CB 3.22Å; D811-S953 WeakPolarHBondContact OD1-CB 3.49Å; D811-S953 PolarHBondContact OD1-OG 3.03Å; D811-R956 IonicContact OD1-NH1 3.48Å; D811-R956 PolarHBondContact OD1-NH1 3.37Å; D811-M982 WeakPolarHBondContact O-CE 3.48Å
812	L	92.2	Very high	86.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.3	173.8	-63.3	170.9	0	0	0	109.9	H670 V671 L672 F814 L957 L981 M982 T985	H670-L812 PolarHBondContact O-N 3.44Å; V671-L812 WeakPolarHBondContact CA-O 3.48Å; V671-L812 HydrophobicContact CG1-CB 4.39Å; V671-L812 HydrophobicContact CG2-CB 4.39Å; V671-L812 HydrophobicContact CG2-CD1 4.4Å; L672-L812 PolarHBondContact N-O 2.46Å; L812-F814 HydrophobicContact CB-CE2 3.93Å; L812-F814 HydrophobicContact CB-CZ 4.28Å; L812-F814 HydrophobicContact CD1-CE2 4.05Å; L812-F814 HydrophobicContact CD1-CZ 3.99Å; L812-L957 HydrophobicContact CD1-CD1 4.03Å; L812-L957 HydrophobicContact CD1-CD2 3.95Å; L812-L957 HydrophobicContact CD2-CD1 3.8Å; L812-L957 HydrophobicContact CG-CD1 3.87Å; L812-L981 HydrophobicContact CD1-CD2 3.95Å; L812-L981 HydrophobicContact CD1-CG 4.46Å; L812-L981 HydrophobicContact CD2-CG 4.36Å; L812-M982 HydrophobicContact CD2-CE 4.21Å; L812-T985 HydrophobicContact CB-CG2 4.12Å; L812-T985 HydrophobicContact CD2-CG2 3.65Å
813	I	91.6	Very high	86.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.1	171.4	-50.2	173.6	0	0	0	109.3	L672 V674 L796 L807 F810 T985 G986 L987	L672-I813 HydrophobicContact CB-CG1 4.28Å; L672-I813 HydrophobicContact CB-CG2 4.19Å; L672-I813 HydrophobicContact CD2-CG1 4.5Å; L672-I813 HydrophobicContact CD2-CG2 3.99Å; L672-I813 HydrophobicContact CG-CG2 4.17Å; L672-I813 WeakPolarHBondContact O-CA 3.39Å; V674-I813 HydrophobicContact CG2-CG2 3.92Å; L796-I813 HydrophobicContact CD2-CB 4.49Å; L796-I813 HydrophobicContact CD2-CD1 4.13Å; L796-I813 HydrophobicContact CD2-CG2 4.02Å; L807-I813 HydrophobicContact CB-CD1 4.24Å; L807-I813 HydrophobicContact CD2-CD1 4.23Å; F810-I813 HydrophobicContact CB-CD1 4.34Å; F810-I813 HydrophobicContact CB-CG1 3.86Å; I813-T985 WeakPolarHBondContact O-CA 3.43Å; I813-T985 VanDerWaalsContact O-CB 3.25Å; I813-T985 WeakPolarHBondContact O-CB 3.37Å; I813-G986 PolarHBondContact O-N 2.73Å; I813-G986 VanDerWaalsContact O-N 3.09Å; I813-L987 HydrophobicContact CD1-CD1 4.04Å; I813-L987 HydrophobicContact CD1-CD2 4.14Å; I813-L987 HydrophobicContact CD1-CG 4.16Å; I813-L987 HydrophobicContact CG1-CD1 4.03Å; I813-L987 HydrophobicContact CG1-CG 4.4Å
814	F	91.1	Very high	85.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.7	177	-64.9	-72.6	0	0	0	110.1	I525 V671 L672 V674 L812 L816 L981 T985	I525-F814 HydrophobicContact CB-CG 4.41Å; I525-F814 HydrophobicContact CG1-CB 4.09Å; I525-F814 HydrophobicContact CG1-CD1 3.79Å; I525-F814 HydrophobicContact CG1-CE1 4.36Å; I525-F814 HydrophobicContact CG1-CG 3.88Å; I525-F814 HydrophobicContact CG2-CD2 4.18Å; I525-F814 HydrophobicContact CG2-CG 4.27Å; V671-F814 HydrophobicContact CG1-CD2 3.83Å; V671-F814 HydrophobicContact CG1-CE2 3.83Å; L672-F814 PolarHBondContact O-N 3.14Å; V674-F814 PolarHBondContact N-O 3.04Å; L812-F814 HydrophobicContact CB-CE2 3.93Å; L812-F814 HydrophobicContact CB-CZ 4.28Å; L812-F814 HydrophobicContact CD1-CE2 4.05Å; L812-F814 HydrophobicContact CD1-CZ 3.99Å; F814-L816 HydrophobicContact CB-CD1 3.99Å; F814-L981 HydrophobicContact CE1-CD1 4.02Å; F814-L981 HydrophobicContact CZ-CD1 3.92Å; F814-L981 HydrophobicContact CZ-CG 4.42Å; F814-T985 HydrophobicContact CD1-CG2 4.29Å; F814-T985 HydrophobicContact CE1-CG2 4.1Å
815	V	87.4	Confident	86	Confident	18 Å²	18	43.7 Å²	43.7	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.3	171.8	-178.9	0	0	0	0	108.5	V674 Y790 L796 L817	V674-V815 HydrophobicContact CB-CG2 4.43Å; Y790-V815 HydrophobicContact CD1-CG1 4.33Å; Y790-V815 HydrophobicContact CD2-CG1 3.78Å; Y790-V815 HydrophobicContact CE1-CG1 4.2Å; Y790-V815 HydrophobicContact CE2-CG1 3.62Å; Y790-V815 HydrophobicContact CE2-CG2 4.25Å; Y790-V815 HydrophobicContact CG-CG1 4.14Å; L796-V815 HydrophobicContact CD1-CG2 3.78Å; V815-L817 HydrophobicContact CG1-CD2 3.76Å; V815-L817 HydrophobicContact CG1-CG 4.19Å
816	L	86	Confident	85.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	104.8	177.1	-70.2	75.4	0	0	0	108	I525 I673 V674 G675 L679 F814	I525-L816 HydrophobicContact CD1-CD1 3.73Å; I525-L816 HydrophobicContact CD1-CD2 3.88Å; I525-L816 HydrophobicContact CD1-CG 3.63Å; I525-L816 HydrophobicContact CG1-CD1 4.49Å; I673-L816 HydrophobicContact CG2-CD1 3.63Å; I673-L816 HydrophobicContact CG2-CD2 4.45Å; V674-L816 WeakPolarHBondContact O-CB 3.23Å; V674-L816 VanDerWaalsContact O-CD1 3.32Å; V674-L816 WeakPolarHBondContact O-CD1 3.49Å; V674-L816 PolarHBondContact O-N 3.08Å; G675-L816 WeakPolarHBondContact CA-O 3.35Å; L679-L816 HydrophobicContact CD1-CB 3.99Å; L679-L816 WeakPolarHBondContact CD1-O 3.37Å; F814-L816 HydrophobicContact CB-CD1 3.99Å
817	L	82.5	Confident	85.4	Confident	25 Å²	25	48.8 Å²	48.8	13%	0.131	26%	0.258	C	S	.	.			trans	-88.6	140	170.2	-54.9	179.7	0	0	0	108.7	Y790 I792 V815 P996	Y790-L817 HydrophobicContact CD1-CD2 3.47Å; Y790-L817 VanDerWaalsContact CD1-CD2 3.47Å; Y790-L817 HydrophobicContact CE1-CD2 4.29Å; Y790-L817 HydrophobicContact CG-CD2 3.61Å; I792-L817 HydrophobicContact CD1-CD1 3.91Å; I792-L817 HydrophobicContact CG1-CD1 4.04Å; I792-L817 HydrophobicContact CG1-CD2 4.44Å; V815-L817 HydrophobicContact CG1-CD2 3.76Å; V815-L817 HydrophobicContact CG1-CG 4.19Å; L817-P996 HydrophobicContact CD1-CB 4.14Å; L817-P996 HydrophobicContact CD1-CG 4.1Å
818	D	81.1	Confident	85.2	Confident	94 Å²	94	52.3 Å²	52.3	50%	0.503	28%	0.276	S	S	.	.			trans	-80.2	134.2	167.4	-157.7	11.5	0	0	0	108.9	L679	L679-D818 HydrophobicContact CD1-CB 4.23Å; L679-D818 HydrophobicContact CD2-CB 3.99Å
819	H	78.7	Confident	85.1	Confident	95 Å²	95	54.2 Å²	54.2	44%	0.44	29%	0.29	S	S	.	.			trans	-138.1	115.3	-175.3	-85.4	32.5	0	0	0	108.3	D821 P996	H819-D821 PolarHBondContact O-N 2.83Å; H819-P996 WeakPolarHBondContact NE2-CG 3.45Å
820	P	79.9	Confident	84.7	Confident	130 Å²	130	55.7 Å²	55.7	84%	0.844	30%	0.298	S	S	*	.			trans	-70.5	105.4	-177.3	28.2	-33.8	0	0	0	110.3
821	D	80.9	Confident	84.2	Confident	76 Å²	76	55.6 Å²	55.6	41%	0.406	30%	0.298	S	S	.	.			trans	-132	110	175	167.4	18.5	0	0	0	108.2	H819 V823 A824 D825	H819-D821 PolarHBondContact O-N 2.83Å; D821-V823 PolarHBondContact O-N 2.83Å; D821-V823 VanDerWaalsContact O-N 3.08Å; D821-V823 WeakPolarHBondContact OD1-CB 3.35Å; D821-V823 PolarHBondContact OD1-N 2.74Å; D821-A824 HydrophobicContact CB-CB 4.01Å; D821-A824 PolarHBondContact O-N 2.85Å; D821-A824 VanDerWaalsContact O-N 3.14Å; D821-A824 VanDerWaalsContact OD2-CB 3.24Å; D821-A824 WeakPolarHBondContact OD2-CB 3.5Å; D821-A824 PolarHBondContact OD2-N 2.84Å; D821-D825 WeakPolarHBondContact O-CB 3.5Å; D821-D825 PolarHBondContact O-N 3.44Å
822	E	84.7	Confident	83.7	Confident	171 Å²	171	58.4 Å²	58.4	80%	0.799	32%	0.315	S	S	*	.	H	α-helix	trans	-53.2	-31.9	-180	-170.4	-175	165.5	0	0	112.5	R826	E822-R826 WeakPolarHBondContact O-CB 3.32Å; E822-R826 PolarHBondContact O-N 3.47Å
823	V	81.9	Confident	83.3	Confident	56 Å²	56	62 Å²	62	34%	0.339	34%	0.337	S	S	.	.	H	α-helix	trans	-75.4	-48.9	179.6	-173.2	0	0	0	0	110.8	D821 L827	D821-V823 PolarHBondContact O-N 2.83Å; D821-V823 VanDerWaalsContact O-N 3.08Å; D821-V823 WeakPolarHBondContact OD1-CB 3.35Å; D821-V823 PolarHBondContact OD1-N 2.74Å; V823-L827 HydrophobicContact CG1-CD1 4.15Å; V823-L827 WeakPolarHBondContact O-CB 3.37Å; V823-L827 VanDerWaalsContact O-CG 3.27Å; V823-L827 WeakPolarHBondContact O-CG 3.45Å; V823-L827 PolarHBondContact O-N 3.22Å
824	A	77.9	Confident	82.6	Confident	45 Å²	45	62.7 Å²	62.7	37%	0.372	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-43.9	176.5	0	0	0	0	0	112.4	D821 L827 L828	D821-A824 HydrophobicContact CB-CB 4.01Å; D821-A824 PolarHBondContact O-N 2.85Å; D821-A824 VanDerWaalsContact O-N 3.14Å; D821-A824 VanDerWaalsContact OD2-CB 3.24Å; D821-A824 WeakPolarHBondContact OD2-CB 3.5Å; D821-A824 PolarHBondContact OD2-N 2.84Å; A824-L827 PolarHBondContact O-N 2.88Å; A824-L828 VanDerWaalsContact O-CB 3.32Å; A824-L828 WeakPolarHBondContact O-CB 3.42Å; A824-L828 PolarHBondContact O-N 3.43Å
825	D	85.8	Confident	82	Confident	76 Å²	76	65.1 Å²	65.1	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-40.3	178.5	-74.7	-32.8	0	0	0	111.6	D821 L828 S829	D821-D825 WeakPolarHBondContact O-CB 3.5Å; D821-D825 PolarHBondContact O-N 3.44Å; D825-L828 PolarHBondContact O-N 2.82Å; D825-S829 VanDerWaalsContact O-CB 3.27Å; D825-S829 WeakPolarHBondContact O-CB 3.45Å; D825-S829 PolarHBondContact O-N 2.86Å
826	R	83.9	Confident	81.5	Confident	121 Å²	121	71.6 Å²	71.6	46%	0.457	39%	0.386	S	S	.	.	H	α-helix	trans	-64.1	-47.1	173.4	179.6	173.2	170.5	-160.1	-15.4	111.8	E822 L828 S829 E830 S848	E822-R826 WeakPolarHBondContact O-CB 3.32Å; E822-R826 PolarHBondContact O-N 3.47Å; R826-L828 VanDerWaalsContact C-N 3.29Å; R826-L828 PolarHBondContact O-N 3.02Å; R826-S829 PolarHBondContact O-N 2.78Å; R826-E830 HydrophobicContact CG-CG 4.37Å; R826-E830 IonicContact CZ-OE1 2.73Å; R826-E830 VanDerWaalsContact CZ-OE1 3.26Å; R826-E830 IonicContact NE-OE1 3Å; R826-E830 PolarHBondContact NE-OE1 2.77Å; R826-E830 IonicContact NH2-OE1 3.67Å; R826-E830 PolarHBondContact NH2-OE1 2.88Å; R826-E830 WeakPolarHBondContact O-CB 3.24Å; R826-E830 WeakPolarHBondContact O-CG 3.33Å; R826-E830 PolarHBondContact O-N 2.71Å; R826-S848 PolarHBondContact NH1-OG 3.37Å
827	L	78.8	Confident	81.3	Confident	40 Å²	40	75.6 Å²	75.6	21%	0.209	41%	0.411	C	S	.	.	H	α-helix	trans	-63.1	-36	177.5	-72.5	169.7	0	0	0	112	V823 A824 H831 C847	V823-L827 HydrophobicContact CG1-CD1 4.15Å; V823-L827 WeakPolarHBondContact O-CB 3.37Å; V823-L827 VanDerWaalsContact O-CG 3.27Å; V823-L827 WeakPolarHBondContact O-CG 3.45Å; V823-L827 PolarHBondContact O-N 3.22Å; A824-L827 PolarHBondContact O-N 2.88Å; L827-H831 VanDerWaalsContact O-CB 3.22Å; L827-H831 WeakPolarHBondContact O-CB 3.4Å; L827-H831 PolarHBondContact O-N 3.11Å; L827-C847 HydrophobicContact CD2-CB 4.45Å
828	L	82.6	Confident	80.5	Confident	74 Å²	74	77.6 Å²	77.6	39%	0.387	44%	0.437	S	S	.	.	H	α-helix	trans	-66.3	-44.8	173.3	-179.9	61.6	0	0	0	111.4	C520 A824 D825 R826 H831 V832	C520-L828 HydrophobicContact CB-CD1 4.2Å; A824-L828 VanDerWaalsContact O-CB 3.32Å; A824-L828 WeakPolarHBondContact O-CB 3.42Å; A824-L828 PolarHBondContact O-N 3.43Å; D825-L828 PolarHBondContact O-N 2.82Å; R826-L828 VanDerWaalsContact C-N 3.29Å; R826-L828 PolarHBondContact O-N 3.02Å; L828-H831 PolarHBondContact O-N 2.86Å; L828-V832 HydrophobicContact CD1-CG2 4.2Å; L828-V832 WeakPolarHBondContact O-CB 3.25Å; L828-V832 VanDerWaalsContact O-CG2 3.28Å; L828-V832 WeakPolarHBondContact O-CG2 3.5Å; L828-V832 PolarHBondContact O-N 3.15Å
829	S	84.5	Confident	79.4	Confident	71 Å²	71	79.2 Å²	79.2	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-64	-46.8	178	-174.7	0	0	0	0	112.4	D825 R826 H831 V832 T833	D825-S829 VanDerWaalsContact O-CB 3.27Å; D825-S829 WeakPolarHBondContact O-CB 3.45Å; D825-S829 PolarHBondContact O-N 2.86Å; R826-S829 PolarHBondContact O-N 2.78Å; S829-H831 VanDerWaalsContact C-N 3.35Å; S829-H831 PolarHBondContact O-N 3.2Å; S829-V832 PolarHBondContact O-N 3.06Å; S829-T833 WeakPolarHBondContact O-CB 2.96Å; S829-T833 PolarHBondContact O-N 3.15Å; S829-T833 PolarHBondContact O-OG1 3.18Å
830	E	83	Confident	78.2	Confident	68 Å²	68	78.4 Å²	78.4	32%	0.318	44%	0.439	S	S	.	.	H	α-helix	trans	-60.2	-43.3	174.9	-73.1	179.2	-176.7	0	0	111.1	R826 T833 A834	R826-E830 HydrophobicContact CG-CG 4.37Å; R826-E830 IonicContact CZ-OE1 2.73Å; R826-E830 VanDerWaalsContact CZ-OE1 3.26Å; R826-E830 IonicContact NE-OE1 3Å; R826-E830 PolarHBondContact NE-OE1 2.77Å; R826-E830 IonicContact NH2-OE1 3.67Å; R826-E830 PolarHBondContact NH2-OE1 2.88Å; R826-E830 WeakPolarHBondContact O-CB 3.24Å; R826-E830 WeakPolarHBondContact O-CG 3.33Å; R826-E830 PolarHBondContact O-N 2.71Å; E830-T833 PolarHBondContact O-N 3.43Å; E830-A834 WeakPolarHBondContact O-CB 3.41Å; E830-A834 PolarHBondContact O-N 2.89Å
831	H	80.4	Confident	76.9	Confident	5 Å²	5	80.7 Å²	80.7	2%	0.023	43%	0.431	C	S	.	.	H	α-helix	trans	-63.5	-48.1	175.4	176.8	83	0	0	0	112.8	P517 S518 I519 C520 L827 L828 S829 T833 A834 V835 W840 F845	P517-H831 PolarHBondContact O-CE1 3.17Å; P517-H831 PolarHBondContact O-NE2 3.47Å; S518-H831 WeakPolarHBondContact CA-NE2 3.39Å; S518-H831 PolarHBondContact O-NE2 3.29Å; I519-H831 PolarHBondContact N-NE2 3.34Å; C520-H831 HydrophobicContact CB-CB 4.37Å; L827-H831 VanDerWaalsContact O-CB 3.22Å; L827-H831 WeakPolarHBondContact O-CB 3.4Å; L827-H831 PolarHBondContact O-N 3.11Å; L828-H831 PolarHBondContact O-N 2.86Å; S829-H831 VanDerWaalsContact C-N 3.35Å; S829-H831 PolarHBondContact O-N 3.2Å; H831-T833 VanDerWaalsContact C-N 3.31Å; H831-T833 PolarHBondContact O-N 2.91Å; H831-A834 WeakPolarHBondContact O-CB 3.35Å; H831-A834 PolarHBondContact O-N 2.99Å; H831-V835 WeakPolarHBondContact O-CG2 3.46Å; H831-V835 PolarHBondContact O-N 3.01Å; H831-W840 AromaticContact CE1-CE2 3.84Å; H831-W840 AromaticContact CE1-CZ2 3.76Å; H831-W840 AromaticContact CE1-NE1 3.32Å; H831-W840 PolarHBondContact CE1-NE1 3.27Å; H831-W840 VanDerWaalsContact CE1-NE1 3.32Å; H831-W840 AromaticContact ND1-NE1 3.95Å; H831-F845 HydrophobicContact CB-CE1 4.34Å; H831-F845 AromaticContact ND1-CZ 3.63Å
832	V	82.6	Confident	75.2	Confident	59 Å²	59	78.5 Å²	78.5	36%	0.358	42%	0.421	S	S	.	.	H	α-helix	trans	-63.2	-38.4	178.5	169.6	0	0	0	0	111.1	L828 S829 V835 H836	L828-V832 HydrophobicContact CD1-CG2 4.2Å; L828-V832 WeakPolarHBondContact O-CB 3.25Å; L828-V832 VanDerWaalsContact O-CG2 3.28Å; L828-V832 WeakPolarHBondContact O-CG2 3.5Å; L828-V832 PolarHBondContact O-N 3.15Å; S829-V832 PolarHBondContact O-N 3.06Å; V832-V835 PolarHBondContact O-N 3.33Å; V832-H836 PolarHBondContact O-N 2.93Å; V832-H836 VanDerWaalsContact O-N 3.12Å; V832-H836 PolarHBondContact O-ND1 2.91Å
833	T	83.7	Confident	73.2	Confident	77 Å²	77	72 Å²	72	47%	0.472	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-42.3	174.5	-57.5	0	0	0	0	111.5	S829 E830 H831 V835 H836 T837	S829-T833 WeakPolarHBondContact O-CB 2.96Å; S829-T833 PolarHBondContact O-N 3.15Å; S829-T833 PolarHBondContact O-OG1 3.18Å; E830-T833 PolarHBondContact O-N 3.43Å; H831-T833 VanDerWaalsContact C-N 3.31Å; H831-T833 PolarHBondContact O-N 2.91Å; T833-V835 PolarHBondContact O-N 2.97Å; T833-H836 PolarHBondContact O-N 3.46Å; T833-T837 HydrophobicContact CG2-CG2 4.12Å; T833-T837 WeakPolarHBondContact O-CB 3.29Å; T833-T837 VanDerWaalsContact O-CG2 3.28Å; T833-T837 WeakPolarHBondContact O-CG2 3.42Å; T833-T837 PolarHBondContact O-N 3.36Å; T833-T837 PolarHBondContact O-OG1 3.33Å
834	A	78	Confident	71.3	Confident	14 Å²	14	71.9 Å²	71.9	12%	0.116	40%	0.396	C	S	.	.	H	α-helix	trans	-60	-46.2	174.8	0	0	0	0	0	111.6	E830 H831 H836 T837 W840	E830-A834 WeakPolarHBondContact O-CB 3.41Å; E830-A834 PolarHBondContact O-N 2.89Å; H831-A834 WeakPolarHBondContact O-CB 3.35Å; H831-A834 PolarHBondContact O-N 2.99Å; A834-H836 PolarHBondContact O-N 3.29Å; A834-T837 PolarHBondContact O-N 3.44Å; A834-T837 PolarHBondContact O-OG1 2.97Å; A834-W840 WeakPolarHBondContact O-CB 3.43Å; A834-W840 PolarHBondContact O-N 3.09Å
835	V	77.3	Confident	69.5	Low	52 Å²	52	71.1 Å²	71.1	32%	0.315	38%	0.384	S	S	.	.	H	α-helix	trans	-56.7	-45.7	176.6	170.7	0	0	0	0	111.8	H831 V832 T833 W840	H831-V835 WeakPolarHBondContact O-CG2 3.46Å; H831-V835 PolarHBondContact O-N 3.01Å; V832-V835 PolarHBondContact O-N 3.33Å; T833-V835 PolarHBondContact O-N 2.97Å; V835-W840 VanDerWaalsContact CG2-CD1 3.44Å; V835-W840 HydrophobicContact CG2-CG 4.15Å
836	H	78.3	Confident	67.1	Low	153 Å²	153	73.5 Å²	73.5	71%	0.708	40%	0.396	S	S	*	.	H	α-helix	trans	-78.7	-28.6	-175.9	-73.6	86.2	0	0	0	114.4	V832 T833 A834 G838	V832-H836 PolarHBondContact O-N 2.93Å; V832-H836 VanDerWaalsContact O-N 3.12Å; V832-H836 PolarHBondContact O-ND1 2.91Å; T833-H836 PolarHBondContact O-N 3.46Å; A834-H836 PolarHBondContact O-N 3.29Å; H836-G838 PolarHBondContact O-N 3.4Å
837	T	81.5	Confident	64.7	Low	85 Å²	85	69.6 Å²	69.6	52%	0.521	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.3	-177.9	50.6	0	0	0	0	114.1	T833 A834 N839	T833-T837 HydrophobicContact CG2-CG2 4.12Å; T833-T837 WeakPolarHBondContact O-CB 3.29Å; T833-T837 VanDerWaalsContact O-CG2 3.28Å; T833-T837 WeakPolarHBondContact O-CG2 3.42Å; T833-T837 PolarHBondContact O-N 3.36Å; T833-T837 PolarHBondContact O-OG1 3.33Å; A834-T837 PolarHBondContact O-N 3.44Å; A834-T837 PolarHBondContact O-OG1 2.97Å; T837-N839 PolarHBondContact O-N 2.61Å
838	G	65.4	Low	62.3	Low	67 Å²	67	70.8 Å²	70.8	69%	0.691	40%	0.399	S	S	*	.	S	Bend	trans	70.7	-13.1	-175.9	0	0	0	0	0	114.5	H836 W840	H836-G838 PolarHBondContact O-N 3.4Å; G838-W840 PolarHBondContact O-N 3.3Å
839	N	57.7	Low	59.8	Low	129 Å²	129	74.6 Å²	74.6	69%	0.69	41%	0.414	S	S	*	.			trans	-75.6	8.5	170.2	-81.3	-25.5	0	0	0	113.2	T837 R841	T837-N839 PolarHBondContact O-N 2.61Å; N839-R841 PolarHBondContact O-N 3.4Å
840	W	54.4	Low	57.2	Low	78 Å²	78	75.5 Å²	75.5	30%	0.295	43%	0.426	S	S	.	.			trans	-56.5	107.6	175.7	-167	75.8	0	0	0	111.1	P517 H831 A834 V835 G838 P842 Y898	P517-W840 HydrophobicContact CB-CH2 3.75Å; P517-W840 HydrophobicContact CB-CZ2 3.89Å; H831-W840 AromaticContact CE1-CE2 3.84Å; H831-W840 AromaticContact CE1-CZ2 3.76Å; H831-W840 AromaticContact CE1-NE1 3.32Å; H831-W840 PolarHBondContact CE1-NE1 3.27Å; H831-W840 VanDerWaalsContact CE1-NE1 3.32Å; H831-W840 AromaticContact ND1-NE1 3.95Å; A834-W840 WeakPolarHBondContact O-CB 3.43Å; A834-W840 PolarHBondContact O-N 3.09Å; V835-W840 VanDerWaalsContact CG2-CD1 3.44Å; V835-W840 HydrophobicContact CG2-CG 4.15Å; G838-W840 PolarHBondContact O-N 3.3Å; W840-P842 HydrophobicContact CH2-CG 4.42Å; W840-P842 HydrophobicContact CZ3-CG 4.48Å; W840-Y898 AromaticContact CH2-CD2 3.63Å; W840-Y898 HydrophobicContact CH2-CD2 3.63Å; W840-Y898 AromaticContact CH2-CE2 3.42Å; W840-Y898 HydrophobicContact CH2-CE2 3.42Å; W840-Y898 VanDerWaalsContact CH2-CE2 3.42Å; W840-Y898 HydrophobicContact CZ2-CD2 4.44Å; W840-Y898 AromaticContact CZ2-CE2 3.79Å; W840-Y898 HydrophobicContact CZ2-CE2 3.79Å; W840-Y898 HydrophobicContact CZ3-CD2 4.44Å; W840-Y898 HydrophobicContact CZ3-CE2 4.48Å
841	R	51.5	Low	54.6	Low	177 Å²	177	78 Å²	78	67%	0.668	45%	0.446	S	S	*	.			trans	-123.2	138.4	166.3	-63.3	-177.2	-179	-163.9	-1	105.7	N839 S843 S844	N839-R841 PolarHBondContact O-N 3.4Å; R841-S843 PolarHBondContact O-N 2.83Å; R841-S844 PolarHBondContact O-N 3.36Å; R841-S844 PolarHBondContact O-OG 3.44Å
842	P	45.5	Very low	52.1	Low	30 Å²	30	85 Å²	85	20%	0.195	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-18	-178.8	-26.9	34.3	0	0	0	114.5	W840 F845 Y898	W840-P842 HydrophobicContact CH2-CG 4.42Å; W840-P842 HydrophobicContact CZ3-CG 4.48Å; P842-F845 WeakPolarHBondContact O-CD2 3.45Å; P842-Y898 HydrophobicContact CB-CE2 3.95Å; P842-Y898 HydrophobicContact CG-CD2 4.13Å; P842-Y898 HydrophobicContact CG-CE2 3.79Å
843	S	43	Very low	49.6	Very low	36 Å²	36	91.7 Å²	91.7	25%	0.252	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.6	-174.9	73.4	0	0	0	0	116.4	R841 R895	R841-S843 PolarHBondContact O-N 2.83Å; S843-R895 VanDerWaalsContact CB-NE 3.26Å
844	S	42	Very low	46.8	Very low	53 Å²	53	99.1 Å²	99.1	37%	0.371	53%	0.53	S	S	.	.			trans	-86.6	-1.6	-174.2	60.8	0	0	0	0	115.3	R841 I846	R841-S844 PolarHBondContact O-N 3.36Å; R841-S844 PolarHBondContact O-OG 3.44Å; S844-I846 PolarHBondContact O-N 3.42Å
845	F	40.3	Very low	44.4	Very low	28 Å²	28	105.6 Å²	105.6	12%	0.123	56%	0.563	C	S	.	*			trans	-72.2	106.7	-178.6	-64	-76.9	0	0	0	112.3	H831 P842 V892 G893	H831-F845 HydrophobicContact CB-CE1 4.34Å; H831-F845 AromaticContact ND1-CZ 3.63Å; P842-F845 WeakPolarHBondContact O-CD2 3.45Å; F845-V892 WeakPolarHBondContact O-CG1 3.32Å; F845-G893 PolarHBondContact O-N 2.69Å
846	I	34.7	Very low	42	Very low	127 Å²	127	111.9 Å²	111.9	65%	0.651	59%	0.589	S	S	*	*			trans	-121.2	85.3	170.7	-56	176.3	0	0	0	108.6	S844 S848	S844-I846 PolarHBondContact O-N 3.42Å; I846-S848 PolarHBondContact O-N 2.7Å
847	C	34	Very low	39.9	Very low	38 Å²	38	110.9 Å²	110.9	26%	0.257	60%	0.597	S	S	.	*			trans	-70.1	110.6	169	-171.6	0	0	0	0	109.1	L827 Q849 V892	L827-C847 HydrophobicContact CD2-CB 4.45Å; C847-Q849 PolarHBondContact O-N 2.74Å; C847-V892 HydrophobicContact CB-CB 4.36Å; C847-V892 HydrophobicContact CB-CG1 3.75Å; C847-V892 HydrophobicContact CB-CG2 3.64Å; C847-V892 VanDerWaalsContact N-CG1 3.31Å
848	S	28.9	Very low	37.3	Very low	66 Å²	66	115.9 Å²	115.9	46%	0.462	62%	0.617	S	S	.	*			trans	-81.7	47.6	-175.9	64.4	0	0	0	0	113.6	R826 I846 A850	R826-S848 PolarHBondContact NH1-OG 3.37Å; I846-S848 PolarHBondContact O-N 2.7Å; S848-A850 VanDerWaalsContact C-N 3.27Å; S848-A850 PolarHBondContact O-N 2.73Å
849	Q	29.9	Very low	35.8	Very low	153 Å²	153	119.2 Å²	119.2	72%	0.715	62%	0.619	S	S	*	*			trans	-86.7	65.9	169	-72.7	-164.5	6.2	0	0	111.2	C847	C847-Q849 PolarHBondContact O-N 2.74Å
850	A	30.3	Very low	34.4	Very low	91 Å²	91	119 Å²	119	75%	0.752	62%	0.618	S	S	*	*			trans	-138.7	39.6	174.8	0	0	0	0	0	111.6	S848	S848-A850 VanDerWaalsContact C-N 3.27Å; S848-A850 PolarHBondContact O-N 2.73Å
851	V	28.3	Very low	33.3	Very low	121 Å²	121	122.1 Å²	122.1	73%	0.733	64%	0.64	S	S	*	*			trans	-127.7	84.3	179	-173.8	0	0	0	0	109.3
852	N	27.4	Very low	32.4	Very low	152 Å²	152	121 Å²	121	81%	0.813	65%	0.648	S	S	*	*	S	Bend	trans	171.5	55.4	144.2	-86.2	-16.8	0	0	0	111.9
853	Q	30.7	Very low	31.7	Very low	199 Å²	199	128.5 Å²	128.5	93%	0.93	68%	0.68	S	S	*	*			trans	-159.8	67.4	158.8	-119.1	162.4	83.7	0	0	110.6
854	R	24.3	Very low	31	Very low	232 Å²	232	134.9 Å²	134.9	88%	0.875	71%	0.711	S	S	*	*			trans	-127.4	81.6	163.8	-81	-168.2	179	129	0.8	109
855	D	27.1	Very low	30.3	Very low	151 Å²	151	137.5 Å²	137.5	81%	0.807	73%	0.728	S	S	*	*			trans	-158.9	154.4	149.6	-99.6	-39.1	0	0	0	109.5
856	H	27.8	Very low	29.5	Very low	184 Å²	184	144.2 Å²	144.2	85%	0.852	77%	0.766	S	S	*	*			trans	54.5	77.3	176.7	-60	-56.3	0	0	0	118.5
857	C	34.2	Very low	29.3	Very low	131 Å²	131	144.6 Å²	144.6	89%	0.885	77%	0.774	S	S	*	*				-151.2	146.5	112.3	55.8	0	0	0	0	111.1
858	M	26.7	Very low	28.9	Very low	190 Å²	190	145.6 Å²	145.6	94%	0.936	79%	0.79	S	S	*	*			trans	-117	158.9	171.4	-89.5	-161.3	170.3	0	0	110.2
859	N	32.4	Very low	28.8	Very low	137 Å²	137	147.7 Å²	147.7	73%	0.733	81%	0.812	S	S	*	*			trans	101.4	120	148.7	-155.3	23.7	0	0	0	117.4
860	N	29.9	Very low	28.6	Very low	124 Å²	124	151.8 Å²	151.8	66%	0.663	82%	0.82	S	S	*	*			trans	51.2	136.4	155	-70.4	-11.1	0	0	0	119.7
861	N	31.3	Very low	28.5	Very low	144 Å²	144	151.4 Å²	151.4	77%	0.77	83%	0.825	S	S	*	*			cis	-161	173.4	22	-127.8	-25.7	0	0	0	112.5	Q863	N861-Q863 PolarHBondContact O-N 3.08Å
862	N	31.6	Very low	28.3	Very low	154 Å²	154	148.7 Å²	148.7	82%	0.824	82%	0.822	S	S	*	*			trans	-54.2	129	174.4	-83.9	-27.4	0	0	0	113.7
863	Q	31.7	Very low	28.6	Very low	188 Å²	188	147 Å²	147	88%	0.879	82%	0.817	S	S	*	*			trans	-153	142.2	149	-115.1	168.8	63.8	0	0	110.9	N861	N861-Q863 PolarHBondContact O-N 3.08Å
864	N	27.6	Very low	28.9	Very low	170 Å²	170	144.4 Å²	144.4	91%	0.909	81%	0.808	S	S	*	*			trans	-72.6	131.1	-171.8	-69.9	-22.8	0	0	0	112.5
865	C	26.6	Very low	29.7	Very low	108 Å²	108	138 Å²	138	73%	0.73	80%	0.795	S	S	*	*			trans	-128.8	89.3	163.1	52.7	0	0	0	0	111.2	V867	C865-V867 HydrophobicContact CB-CG2 4.31Å; C865-V867 PolarHBondContact O-N 3.02Å
866	N	25.1	Very low	30.6	Very low	169 Å²	169	135.1 Å²	135.1	90%	0.904	78%	0.776	S	S	*	*			trans	-67.4	84.3	162.9	-91.6	-13.6	0	0	0	108.9	G868	N866-G868 PolarHBondContact O-N 2.83Å
867	V	29.1	Very low	31.6	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	77%	0.774	S	S	*	*			trans	-74.5	77.8	171.2	-174.6	0	0	0	0	108.5	C865	C865-V867 HydrophobicContact CB-CG2 4.31Å; C865-V867 PolarHBondContact O-N 3.02Å
868	G	25.8	Very low	32.5	Very low	58 Å²	58	133.2 Å²	133.2	60%	0.598	75%	0.753	S	S	*	*			trans	-60.6	139.9	171.5	0	0	0	0	0	110.4	N866 R870	N866-G868 PolarHBondContact O-N 2.83Å; G868-R870 VanDerWaalsContact C-N 3.34Å; G868-R870 PolarHBondContact O-N 2.9Å
869	A	28	Very low	34.3	Very low	111 Å²	111	127.9 Å²	127.9	92%	0.917	73%	0.729	S	S	*	*			trans	-67.4	85.2	-173.7	0	0	0	0	0	112.8
870	R	24.8	Very low	35.9	Very low	239 Å²	239	125 Å²	125	90%	0.902	72%	0.719	S	S	*	*			trans	-112.9	92.2	158.7	-76	-172.5	171.5	-167.8	-3	108.2	G868 G872	G868-R870 VanDerWaalsContact C-N 3.34Å; G868-R870 PolarHBondContact O-N 2.9Å; R870-G872 PolarHBondContact O-N 2.98Å
871	G	27.9	Very low	37.8	Very low	83 Å²	83	123.3 Å²	123.3	86%	0.856	72%	0.717	S	S	*	*			trans	-68.4	85.1	166.6	0	0	0	0	0	109.1	T873	G871-T873 PolarHBondContact O-N 3.24Å
872	G	25.3	Very low	40.1	Very low	64 Å²	64	118.2 Å²	118.2	66%	0.66	69%	0.69	S	S	*	*			trans	-67.1	118.7	169.2	0	0	0	0	0	108.7	R870 I874	R870-G872 PolarHBondContact O-N 2.98Å; G872-I874 PolarHBondContact O-N 3Å
873	T	32.3	Very low	42.5	Very low	117 Å²	117	112.2 Å²	112.2	72%	0.718	66%	0.659	S	S	*	*			trans	-53.9	125.8	166.8	-49.9	0	0	0	0	108	G871 V875	G871-T873 PolarHBondContact O-N 3.24Å; T873-V875 HydrophobicContact CG2-CG2 4.33Å; T873-V875 PolarHBondContact O-N 3.3Å
874	I	37.5	Very low	45	Very low	143 Å²	143	103.4 Å²	103.4	73%	0.733	62%	0.618	S	S	*	*			trans	-72.1	87.6	170.3	-59.3	177.7	0	0	0	106.2	G872 Q876	G872-I874 PolarHBondContact O-N 3Å; I874-Q876 PolarHBondContact O-N 2.84Å
875	V	40.9	Very low	47.5	Very low	98 Å²	98	96 Å²	96	59%	0.594	58%	0.579	S	S	*	*			trans	-71.2	88.1	169.9	-178.2	0	0	0	0	106.4	T873 E877	T873-V875 HydrophobicContact CG2-CG2 4.33Å; T873-V875 PolarHBondContact O-N 3.3Å; V875-E877 PolarHBondContact O-N 2.87Å
876	Q	47	Very low	50.1	Low	91 Å²	91	94.4 Å²	94.4	43%	0.425	56%	0.561	S	S	.	*			trans	-64.6	113.7	168.4	-157.4	171	9.4	0	0	106.8	I874	I874-Q876 PolarHBondContact O-N 2.84Å
877	E	48.6	Very low	53	Low	171 Å²	171	88.1 Å²	88.1	80%	0.799	53%	0.525	S	S	*	.			trans	-58.1	147.3	178.7	-66.6	-173.8	130.3	0	0	110	V875 D879	V875-E877 PolarHBondContact O-N 2.87Å; E877-D879 VanDerWaalsContact C-N 3.28Å; E877-D879 PolarHBondContact O-N 2.74Å
878	F	53.4	Low	55.6	Low	104 Å²	104	82 Å²	82	46%	0.456	49%	0.488	S	S	.	.			trans	-74.9	81.5	-174.8	-170.9	-89.3	0	0	0	110.5	N506 S880 Q973	N506-F878 WeakPolarHBondContact OD1-CD2 3.36Å; F878-S880 PolarHBondContact O-N 3.19Å; F878-Q973 HydrophobicContact CE1-CG 4.3Å; F878-Q973 HydrophobicContact CZ-CG 4.4Å
879	D	63.2	Low	58.1	Low	78 Å²	78	83 Å²	83	42%	0.417	48%	0.476	S	S	.	.			trans	-80.1	109.5	172.4	-172.9	-13.7	0	0	0	110	E877 S881 I882	E877-D879 VanDerWaalsContact C-N 3.28Å; E877-D879 PolarHBondContact O-N 2.74Å; D879-S881 PolarHBondContact O-N 3.43Å; D879-S881 VanDerWaalsContact OD1-CB 3.23Å; D879-S881 WeakPolarHBondContact OD1-CB 3.4Å; D879-S881 PolarHBondContact OD1-N 3Å; D879-S881 PolarHBondContact OD1-OG 3.49Å; D879-S881 PolarHBondContact OD2-OG 3.47Å; D879-S881 VanDerWaalsContact OD2-OG 3.08Å; D879-I882 HydrophobicContact CB-CD1 3.95Å; D879-I882 HydrophobicContact CB-CG1 4.04Å; D879-I882 PolarHBondContact O-N 2.87Å
880	S	65.5	Low	60.1	Low	75 Å²	75	80.3 Å²	80.3	52%	0.524	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.5	177.1	49.5	0	0	0	0	114.5	F878 I882	F878-S880 PolarHBondContact O-N 3.19Å; S880-I882 VanDerWaalsContact C-N 3.34Å
881	S	71.4	Confident	62.2	Low	90 Å²	90	72.5 Å²	72.5	63%	0.629	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.3	173.4	75.5	0	0	0	0	113.2	D879 P883	D879-S881 PolarHBondContact O-N 3.43Å; D879-S881 VanDerWaalsContact OD1-CB 3.23Å; D879-S881 WeakPolarHBondContact OD1-CB 3.4Å; D879-S881 PolarHBondContact OD1-N 3Å; D879-S881 PolarHBondContact OD1-OG 3.49Å; D879-S881 PolarHBondContact OD2-OG 3.47Å; D879-S881 VanDerWaalsContact OD2-OG 3.08Å; S881-P883 WeakPolarHBondContact O-CD 3.32Å
882	I	78.7	Confident	63.7	Low	37 Å²	37	72.9 Å²	72.9	19%	0.19	41%	0.408	C	S	.	.	S	Bend	trans	-80	125.2	175.9	-54.7	177.1	0	0	0	108.9	D879 S880 Q886 R887	D879-I882 HydrophobicContact CB-CD1 3.95Å; D879-I882 HydrophobicContact CB-CG1 4.04Å; D879-I882 PolarHBondContact O-N 2.87Å; S880-I882 VanDerWaalsContact C-N 3.34Å; I882-Q886 HydrophobicContact CG2-CB 3.94Å; I882-Q886 HydrophobicContact CG2-CG 4.08Å; I882-R887 HydrophobicContact CB-CG 4.22Å; I882-R887 HydrophobicContact CG2-CG 4.01Å; I882-R887 WeakPolarHBondContact O-CD 3.07Å
883	P	82.2	Confident	65.3	Low	28 Å²	28	71.8 Å²	71.8	18%	0.182	40%	0.396	C	S	.	.			trans	-61.4	152.6	177.6	-27.8	39.3	0	0	0	113.8	S881 S885 Q886 R887 E980 L1001	S881-P883 WeakPolarHBondContact O-CD 3.32Å; P883-S885 VanDerWaalsContact C-N 3.26Å; P883-S885 PolarHBondContact O-N 3.44Å; P883-Q886 PolarHBondContact O-N 3.11Å; P883-R887 PolarHBondContact O-N 2.71Å; P883-E980 WeakPolarHBondContact CA-OE2 3.49Å; P883-E980 WeakPolarHBondContact CB-OE1 3.43Å; P883-E980 WeakPolarHBondContact CB-OE2 3.5Å; P883-L1001 HydrophobicContact CB-CD1 3.62Å; P883-L1001 HydrophobicContact CG-CD1 3.58Å; P883-L1001 HydrophobicContact CG-CD2 3.9Å; P883-L1001 HydrophobicContact CG-CG 4.28Å
884	L	84.7	Confident	66.9	Low	3 Å²	3	68.3 Å²	68.3	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-56.2	-39.6	-178.2	-179.2	64.4	0	0	0	112.1	F508 L524 R887 L888 D977 E980	F508-L884 HydrophobicContact CD1-CD1 4.25Å; F508-L884 HydrophobicContact CE1-CD1 4.1Å; L524-L884 HydrophobicContact CD2-CD2 4.3Å; L524-L884 HydrophobicContact CD2-CG 4.34Å; L884-R887 CarbonylContact O-C 3.54Å; L884-R887 PolarHBondContact O-N 3.28Å; L884-L888 HydrophobicContact CD1-CD1 3.83Å; L884-L888 HydrophobicContact CD1-CD2 4.48Å; L884-L888 HydrophobicContact CD1-CG 3.92Å; L884-L888 HydrophobicContact CD2-CD1 4.31Å; L884-L888 HydrophobicContact CG-CD1 3.75Å; L884-L888 HydrophobicContact CG-CG 4.22Å; L884-L888 WeakPolarHBondContact O-CB 3.46Å; L884-L888 VanDerWaalsContact O-CG 3.23Å; L884-L888 WeakPolarHBondContact O-CG 3.32Å; L884-L888 PolarHBondContact O-N 2.88Å; L884-D977 HydrophobicContact CD2-CB 4.13Å; L884-D977 VanDerWaalsContact CD2-O 3.26Å; L884-D977 WeakPolarHBondContact CD2-O 3.48Å; L884-E980 WeakPolarHBondContact CB-OE2 3.29Å; L884-E980 VanDerWaalsContact N-CD 3.29Å; L884-E980 PolarHBondContact N-OE1 3.29Å; L884-E980 VanDerWaalsContact N-OE1 3.17Å; L884-E980 PolarHBondContact N-OE2 2.93Å
885	S	80.5	Confident	68.3	Low	13 Å²	13	70.1 Å²	70.1	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-47.2	-61.2	172.5	40.5	0	0	0	0	112.2	P883 L888 E889 E980 L1001 M1004	P883-S885 VanDerWaalsContact C-N 3.26Å; P883-S885 PolarHBondContact O-N 3.44Å; S885-L888 CarbonylContact O-C 3.59Å; S885-L888 PolarHBondContact O-N 3.42Å; S885-L888 VanDerWaalsContact O-N 3.09Å; S885-E889 PolarHBondContact O-N 2.9Å; S885-E980 VanDerWaalsContact CB-OE1 3.28Å; S885-E980 WeakPolarHBondContact CB-OE1 3.26Å; S885-E980 PolarHBondContact N-OE1 3.3Å; S885-E980 PolarHBondContact OG-OE1 3.04Å; S885-L1001 WeakPolarHBondContact OG-CD1 3.38Å; S885-M1004 WeakPolarHBondContact OG-CE 3.43Å
886	Q	80.6	Confident	69.9	Low	75 Å²	75	66.4 Å²	66.4	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-35.7	178.2	-173.9	177.8	5.6	0	0	112.5	I882 P883 L888 E889 L1001	I882-Q886 HydrophobicContact CG2-CB 3.94Å; I882-Q886 HydrophobicContact CG2-CG 4.08Å; P883-Q886 PolarHBondContact O-N 3.11Å; Q886-L888 PolarHBondContact O-N 3.2Å; Q886-L888 VanDerWaalsContact O-N 3.14Å; Q886-E889 PolarHBondContact O-N 3.5Å; Q886-L1001 HydrophobicContact CB-CB 4.33Å; Q886-L1001 HydrophobicContact CB-CD1 3.91Å
887	R	85.2	Confident	71.5	Confident	37 Å²	37	68.9 Å²	68.9	14%	0.14	36%	0.362	C	S	.	.	H	α-helix	trans	-61.8	-16.5	171.4	-79.5	163.4	51.6	-145.7	-10.4	113.6	R509 I882 P883 L884 D977	R509-R887 WeakPolarHBondContact CD-O 3.05Å; R509-R887 WeakPolarHBondContact CG-O 3.43Å; R509-R887 PolarHBondContact NE-O 2.82Å; R509-R887 VanDerWaalsContact NE-O 3.12Å; I882-R887 HydrophobicContact CB-CG 4.22Å; I882-R887 HydrophobicContact CG2-CG 4.01Å; I882-R887 WeakPolarHBondContact O-CD 3.07Å; P883-R887 PolarHBondContact O-N 2.71Å; L884-R887 CarbonylContact O-C 3.54Å; L884-R887 PolarHBondContact O-N 3.28Å; R887-D977 IonicContact CZ-OD1 3.72Å; R887-D977 IonicContact CZ-OD2 3.77Å; R887-D977 IonicContact NH1-OD1 2.72Å; R887-D977 PolarHBondContact NH1-OD1 3.04Å; R887-D977 IonicContact NH1-OD2 3.58Å; R887-D977 IonicContact NH2-OD1 3.63Å; R887-D977 PolarHBondContact NH2-OD1 2.93Å; R887-D977 IonicContact NH2-OD2 2.74Å; R887-D977 PolarHBondContact NH2-OD2 2.74Å
888	L	84.6	Confident	73.3	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.042	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-1.1	177.3	-65.9	177.2	0	0	0	113.7	F508 R509 V512 A527 L884 S885 Q886	F508-L888 HydrophobicContact CD1-CD2 4.45Å; R509-L888 HydrophobicContact CB-CD2 4.18Å; R509-L888 HydrophobicContact CG-CD2 4.2Å; V512-L888 HydrophobicContact CB-CD2 4.01Å; V512-L888 HydrophobicContact CG1-CD1 4.28Å; V512-L888 HydrophobicContact CG1-CD2 3.95Å; V512-L888 HydrophobicContact CG2-CD2 4.26Å; A527-L888 HydrophobicContact CB-CD1 3.83Å; L884-L888 HydrophobicContact CD1-CD1 3.83Å; L884-L888 HydrophobicContact CD1-CD2 4.48Å; L884-L888 HydrophobicContact CD1-CG 3.92Å; L884-L888 HydrophobicContact CD2-CD1 4.31Å; L884-L888 HydrophobicContact CG-CD1 3.75Å; L884-L888 HydrophobicContact CG-CG 4.22Å; L884-L888 WeakPolarHBondContact O-CB 3.46Å; L884-L888 VanDerWaalsContact O-CG 3.23Å; L884-L888 WeakPolarHBondContact O-CG 3.32Å; L884-L888 PolarHBondContact O-N 2.88Å; S885-L888 CarbonylContact O-C 3.59Å; S885-L888 PolarHBondContact O-N 3.42Å; S885-L888 VanDerWaalsContact O-N 3.09Å; Q886-L888 PolarHBondContact O-N 3.2Å; Q886-L888 VanDerWaalsContact O-N 3.14Å
889	E	78.3	Confident	74.9	Confident	78 Å²	78	58.3 Å²	58.3	36%	0.364	31%	0.313	S	S	.	.	S	Bend	trans	-69.2	155	169.2	-74.8	174.4	171.5	0	0	110.7	R509 S885 Q886	R509-E889 PolarHBondContact NH2-O 3.04Å; S885-E889 PolarHBondContact O-N 2.9Å; Q886-E889 PolarHBondContact O-N 3.5Å
890	L	70.5	Confident	76.1	Confident	54 Å²	54	58 Å²	58	28%	0.283	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-99.3	123.5	175.4	-64.9	175.8	0	0	0	108.5	I896	L890-I896 HydrophobicContact CD2-CD1 3.44Å; L890-I896 VanDerWaalsContact CD2-CD1 3.44Å
891	L	68.7	Low	77	Confident	75 Å²	75	58.2 Å²	58.2	39%	0.393	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-77.2	145.2	179	-58.6	175.9	0	0	0	110.4	G893 E894	L891-G893 PolarHBondContact O-N 2.94Å; L891-E894 HydrophobicContact CB-CB 4.05Å; L891-E894 WeakPolarHBondContact CB-OE2 3.26Å; L891-E894 PolarHBondContact N-OE2 3.43Å; L891-E894 WeakPolarHBondContact O-CB 3.4Å; L891-E894 PolarHBondContact O-N 3.46Å
892	V	58.6	Low	77.4	Confident	91 Å²	91	57.3 Å²	57.3	55%	0.552	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	121	-177	-179.9	0	0	0	0	110.1	F845 C847 E894	F845-V892 WeakPolarHBondContact O-CG1 3.32Å; C847-V892 HydrophobicContact CB-CB 4.36Å; C847-V892 HydrophobicContact CB-CG1 3.75Å; C847-V892 HydrophobicContact CB-CG2 3.64Å; C847-V892 VanDerWaalsContact N-CG1 3.31Å; V892-E894 VanDerWaalsContact C-N 3.32Å
893	G	58	Low	77.8	Confident	41 Å²	41	58.2 Å²	58.2	42%	0.423	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-1.7	-177.2	0	0	0	0	0	115.3	F845 L891	F845-G893 PolarHBondContact O-N 2.69Å; L891-G893 PolarHBondContact O-N 2.94Å
894	E	66.8	Low	78.2	Confident	44 Å²	44	56.9 Å²	56.9	21%	0.206	30%	0.299	C	S	.	.			trans	-64.2	147	174.7	-171	173.7	-163.5	0	0	111.5	R509 L891 V892	R509-E894 IonicContact CZ-OE1 2.84Å; R509-E894 IonicContact CZ-OE2 2.73Å; R509-E894 IonicContact NH1-OE1 3.81Å; R509-E894 PolarHBondContact NH1-OE1 3.38Å; R509-E894 IonicContact NH1-OE2 3.37Å; R509-E894 IonicContact NH2-OE1 3.85Å; R509-E894 PolarHBondContact NH2-OE1 2.81Å; R509-E894 IonicContact NH2-OE2 3.52Å; R509-E894 PolarHBondContact NH2-OE2 2.81Å; L891-E894 HydrophobicContact CB-CB 4.05Å; L891-E894 WeakPolarHBondContact CB-OE2 3.26Å; L891-E894 PolarHBondContact N-OE2 3.43Å; L891-E894 WeakPolarHBondContact O-CB 3.4Å; L891-E894 PolarHBondContact O-N 3.46Å; V892-E894 VanDerWaalsContact C-N 3.32Å
895	R	66.2	Low	78.4	Confident	182 Å²	182	59.2 Å²	59.2	69%	0.687	31%	0.307	S	S	*	.			trans	-114.1	121.1	177.4	-60.6	-167.8	179	-156.9	-3.3	109.7	S843	S843-R895 VanDerWaalsContact CB-NE 3.26Å
896	I	74.8	Confident	78.6	Confident	19 Å²	19	60.9 Å²	60.9	10%	0.097	31%	0.313	C	S	.	.			trans	-116.3	119.2	172.2	-58.4	-174	0	0	0	108	L510 C513 L890 Y898	L510-I896 HydrophobicContact CD1-CG2 3.66Å; C513-I896 HydrophobicContact CB-CD1 4.28Å; L890-I896 HydrophobicContact CD2-CD1 3.44Å; L890-I896 VanDerWaalsContact CD2-CD1 3.44Å; I896-Y898 HydrophobicContact CB-CE1 4.44Å; I896-Y898 HydrophobicContact CG2-CD1 4.13Å; I896-Y898 HydrophobicContact CG2-CE1 4.21Å; I896-Y898 WeakPolarHBondContact O-CD2 3.39Å; I896-Y898 PolarHBondContact O-N 2.99Å
897	D	80.5	Confident	79.2	Confident	143 Å²	143	57.4 Å²	57.4	77%	0.765	30%	0.296	S	S	*	.			trans	-83.8	91.1	172	-68	-40.1	0	0	0	108.6
898	Y	86.5	Confident	79.6	Confident	39 Å²	39	55.6 Å²	55.6	15%	0.153	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-60.3	140	-174.1	-57.9	-83	0	0	0	113	C513 P517 W840 P842 I896 P900	C513-Y898 HydrophobicContact CB-CD1 4.29Å; C513-Y898 HydrophobicContact CB-CE1 3.96Å; C513-Y898 WeakPolarHBondContact O-CE1 3.4Å; P517-Y898 HydrophobicContact CB-CD1 4.15Å; P517-Y898 HydrophobicContact CB-CD2 4.25Å; P517-Y898 HydrophobicContact CB-CE1 4.09Å; P517-Y898 HydrophobicContact CB-CE2 4.2Å; P517-Y898 HydrophobicContact CB-CG 4.22Å; P517-Y898 HydrophobicContact CG-CD1 3.86Å; P517-Y898 HydrophobicContact CG-CD2 4.42Å; P517-Y898 HydrophobicContact CG-CE1 4.25Å; P517-Y898 HydrophobicContact CG-CG 3.94Å; W840-Y898 AromaticContact CH2-CD2 3.63Å; W840-Y898 HydrophobicContact CH2-CD2 3.63Å; W840-Y898 AromaticContact CH2-CE2 3.42Å; W840-Y898 HydrophobicContact CH2-CE2 3.42Å; W840-Y898 VanDerWaalsContact CH2-CE2 3.42Å; W840-Y898 HydrophobicContact CZ2-CD2 4.44Å; W840-Y898 AromaticContact CZ2-CE2 3.79Å; W840-Y898 HydrophobicContact CZ2-CE2 3.79Å; W840-Y898 HydrophobicContact CZ3-CD2 4.44Å; W840-Y898 HydrophobicContact CZ3-CE2 4.48Å; P842-Y898 HydrophobicContact CB-CE2 3.95Å; P842-Y898 HydrophobicContact CG-CD2 4.13Å; P842-Y898 HydrophobicContact CG-CE2 3.79Å; I896-Y898 HydrophobicContact CB-CE1 4.44Å; I896-Y898 HydrophobicContact CG2-CD1 4.13Å; I896-Y898 HydrophobicContact CG2-CE1 4.21Å; I896-Y898 WeakPolarHBondContact O-CD2 3.39Å; I896-Y898 PolarHBondContact O-N 2.99Å; Y898-P900 WeakPolarHBondContact O-CD 3.17Å
899	I	88.6	Confident	79.7	Confident	15 Å²	15	57.6 Å²	57.6	8%	0.077	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-67.3	125.5	177.4	-57.6	167.9	0	0	0	109.2	I501 L510 L511 S514 L903 L904	I501-I899 HydrophobicContact CD1-CG2 3.78Å; I501-I899 HydrophobicContact CG1-CD1 4.41Å; I501-I899 HydrophobicContact CG2-CD1 3.78Å; L510-I899 HydrophobicContact CD1-CG1 4.41Å; L510-I899 HydrophobicContact CD2-CD1 3.97Å; L510-I899 HydrophobicContact CD2-CG1 4.07Å; L510-I899 HydrophobicContact CG-CD1 3.87Å; L510-I899 HydrophobicContact CG-CG1 4.01Å; L511-I899 HydrophobicContact CD2-CD1 3.88Å; S514-I899 PolarHBondContact OG-N 2.9Å; I899-L903 HydrophobicContact CG2-CB 4.17Å; I899-L904 HydrophobicContact CB-CB 4.49Å; I899-L904 HydrophobicContact CG2-CB 3.89Å
900	P	87.6	Confident	80.3	Confident	71 Å²	71	57 Å²	57	46%	0.461	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-56.6	137.5	176	-27	35.1	0	0	0	112.1	Y898 I902 L903 L904	Y898-P900 WeakPolarHBondContact O-CD 3.17Å; P900-I902 PolarHBondContact O-N 2.96Å; P900-I902 VanDerWaalsContact O-N 3.08Å; P900-L903 HydrophobicContact CB-CD1 4.48Å; P900-L903 HydrophobicContact CG-CD1 4.23Å; P900-L903 PolarHBondContact O-N 3.29Å; P900-L904 PolarHBondContact O-N 2.85Å
901	P	83.3	Confident	81.3	Confident	80 Å²	80	54.4 Å²	54.4	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-61.9	-27.5	-169.8	22.5	-34	0	0	0	113.9	L691 R905	L691-P901 HydrophobicContact CD2-CB 3.62Å; P901-R905 VanDerWaalsContact O-CB 3.29Å; P901-R905 WeakPolarHBondContact O-CB 3.34Å; P901-R905 PolarHBondContact O-N 3.05Å
902	I	81.3	Confident	82.2	Confident	70 Å²	70	53.8 Å²	53.8	36%	0.359	27%	0.274	S	S	.	.	H	α-helix	trans	-66.7	-43.4	175	-59.6	172	0	0	0	110.8	P900 K906	P900-I902 PolarHBondContact O-N 2.96Å; P900-I902 VanDerWaalsContact O-N 3.08Å; I902-K906 PolarHBondContact O-N 2.04Å; I902-K906 VanDerWaalsContact O-N 3.16Å
903	L	87.1	Confident	83.3	Confident	56 Å²	56	53 Å²	53	29%	0.293	26%	0.263	S	S	.	.	H	α-helix	trans	-71.2	-41.4	177	-65.1	178.9	0	0	0	111.1	A497 I501 I899 P900 R905 K906 Y907	A497-L903 HydrophobicContact CB-CD2 4.27Å; I501-L903 HydrophobicContact CD1-CB 4.36Å; I899-L903 HydrophobicContact CG2-CB 4.17Å; P900-L903 HydrophobicContact CB-CD1 4.48Å; P900-L903 HydrophobicContact CG-CD1 4.23Å; P900-L903 PolarHBondContact O-N 3.29Å; L903-R905 VanDerWaalsContact C-N 3.33Å; L903-R905 PolarHBondContact O-N 2.8Å; L903-K906 PolarHBondContact O-N 3.38Å; L903-Y907 WeakPolarHBondContact O-CB 3.27Å; L903-Y907 PolarHBondContact O-N 3.32Å
904	L	90.3	Very high	84.7	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-40.5	175.9	-176.6	52.7	0	0	0	111.9	L511 L691 I899 P900 Y907 I908	L511-L904 HydrophobicContact CD2-CD1 3.42Å; L511-L904 VanDerWaalsContact CD2-CD1 3.42Å; L691-L904 HydrophobicContact CD1-CD2 3.78Å; L691-L904 HydrophobicContact CD1-CG 4.46Å; L691-L904 HydrophobicContact CD2-CB 4.01Å; L691-L904 HydrophobicContact CD2-CD2 3.81Å; L691-L904 HydrophobicContact CD2-CG 3.95Å; L691-L904 HydrophobicContact CG-CD2 4.43Å; I899-L904 HydrophobicContact CB-CB 4.49Å; I899-L904 HydrophobicContact CG2-CB 3.89Å; P900-L904 PolarHBondContact O-N 2.85Å; L904-Y907 PolarHBondContact O-N 2.84Å; L904-I908 HydrophobicContact CD1-CD1 4.33Å; L904-I908 HydrophobicContact CG-CD1 4.22Å; L904-I908 VanDerWaalsContact O-CG1 3.3Å; L904-I908 WeakPolarHBondContact O-CG1 3.02Å; L904-I908 PolarHBondContact O-N 2.93Å
905	R	87.4	Confident	85.8	Confident	52 Å²	52	54.7 Å²	54.7	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-42.7	172.8	178.9	170.4	179.8	145.1	-4	112.8	S690 L691 A692 P693 P901 L903 I908 L909	S690-R905 PolarHBondContact O-NH1 3.35Å; L691-R905 WeakPolarHBondContact O-CG 3.26Å; A692-R905 PolarHBondContact O-NE 3.37Å; A692-R905 PolarHBondContact O-NH1 2.8Å; A692-R905 VanDerWaalsContact O-NH1 3.15Å; A692-R905 PolarHBondContact O-NH2 2.84Å; P693-R905 PolarHBondContact O-NH2 3.22Å; P901-R905 VanDerWaalsContact O-CB 3.29Å; P901-R905 WeakPolarHBondContact O-CB 3.34Å; P901-R905 PolarHBondContact O-N 3.05Å; L903-R905 VanDerWaalsContact C-N 3.33Å; L903-R905 PolarHBondContact O-N 2.8Å; R905-I908 PolarHBondContact O-N 2.73Å; R905-L909 PolarHBondContact O-N 3.26Å
906	K	86.8	Confident	87	Confident	49 Å²	49	51.9 Å²	51.9	21%	0.213	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-40.7	174.7	-74.2	-169.3	179.3	-173.9	0	111.8	F490 D494 I902 L903 L909 Y910	F490-K906 HydrophobicContact CE1-CB 4.16Å; F490-K906 WeakPolarHBondContact CE1-O 3.43Å; D494-K906 HydrophobicContact CB-CD 4.06Å; D494-K906 VanDerWaalsContact CG-CD 3.47Å; D494-K906 VanDerWaalsContact OD1-CD 3.24Å; D494-K906 WeakPolarHBondContact OD1-CD 3.48Å; D494-K906 IonicContact OD1-NZ 3.5Å; D494-K906 PolarHBondContact OD1-NZ 3.08Å; D494-K906 IonicContact OD2-NZ 3.56Å; D494-K906 PolarHBondContact OD2-NZ 3.36Å; I902-K906 PolarHBondContact O-N 2.04Å; I902-K906 VanDerWaalsContact O-N 3.16Å; L903-K906 PolarHBondContact O-N 3.38Å; K906-L909 PolarHBondContact O-N 3.22Å; K906-Y910 WeakPolarHBondContact O-CB 3.47Å; K906-Y910 PolarHBondContact O-N 3.28Å
907	Y	92.9	Very high	87.9	Confident	1 Å²	1	51 Å²	51	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-44.5	174.6	-175.8	-86	0	0	0	112.3	I498 I501 L511 F534 L903 L904 Y910 S911 A964 L966	I498-Y907 HydrophobicContact CB-CD2 4.39Å; I498-Y907 HydrophobicContact CG1-CD2 4.38Å; I498-Y907 HydrophobicContact CG2-CD2 3.94Å; I498-Y907 HydrophobicContact CG2-CE2 4.33Å; I501-Y907 HydrophobicContact CB-CD2 4.17Å; I501-Y907 HydrophobicContact CB-CE2 4.23Å; I501-Y907 HydrophobicContact CG2-CD2 3.72Å; I501-Y907 HydrophobicContact CG2-CE2 3.64Å; I501-Y907 HydrophobicContact CG2-CG 4.39Å; L511-Y907 HydrophobicContact CD1-CE1 4.2Å; L511-Y907 HydrophobicContact CD2-CD1 4.14Å; L511-Y907 HydrophobicContact CD2-CE1 4.05Å; F534-Y907 AromaticContact CE1-CD1 3.94Å; F534-Y907 HydrophobicContact CE1-CD1 3.94Å; F534-Y907 AromaticContact CE1-CE1 3.89Å; F534-Y907 HydrophobicContact CE1-CE1 3.89Å; F534-Y907 AromaticContact CZ-CD1 3.86Å; F534-Y907 HydrophobicContact CZ-CD1 3.86Å; F534-Y907 AromaticContact CZ-CE1 3.71Å; F534-Y907 HydrophobicContact CZ-CE1 3.71Å; L903-Y907 WeakPolarHBondContact O-CB 3.27Å; L903-Y907 PolarHBondContact O-N 3.32Å; L904-Y907 PolarHBondContact O-N 2.84Å; Y907-Y910 PolarHBondContact O-N 3.05Å; Y907-S911 WeakPolarHBondContact O-CB 3.28Å; Y907-S911 PolarHBondContact O-N 2.8Å; Y907-S911 PolarHBondContact O-OG 2.83Å; Y907-S911 VanDerWaalsContact O-OG 3.1Å; Y907-A964 WeakPolarHBondContact CE1-O 3.48Å; Y907-A964 PolarHBondContact OH-O 3.37Å; Y907-L966 HydrophobicContact CE1-CD2 4.43Å; Y907-L966 HydrophobicContact CE2-CD1 4.14Å; Y907-L966 HydrophobicContact CE2-CD2 4.31Å; Y907-L966 HydrophobicContact CE2-CG 4.28Å; Y907-L966 WeakPolarHBondContact OH-CG 3.35Å
908	I	92	Very high	88.4	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-45.2	173.5	-67.3	162.1	0	0	0	110.9	L533 F534 L691 P693 L904 R905 Y910 S911 R912	L533-I908 HydrophobicContact CB-CD1 4.34Å; L533-I908 HydrophobicContact CD1-CD1 4.23Å; F534-I908 HydrophobicContact CD1-CG1 4.33Å; F534-I908 HydrophobicContact CE1-CB 4.33Å; F534-I908 HydrophobicContact CE1-CG1 3.79Å; F534-I908 HydrophobicContact CZ-CG1 3.9Å; L691-I908 HydrophobicContact CB-CD1 4.27Å; P693-I908 HydrophobicContact CG-CG2 4.43Å; L904-I908 HydrophobicContact CD1-CD1 4.33Å; L904-I908 HydrophobicContact CG-CD1 4.22Å; L904-I908 VanDerWaalsContact O-CG1 3.3Å; L904-I908 WeakPolarHBondContact O-CG1 3.02Å; L904-I908 PolarHBondContact O-N 2.93Å; R905-I908 PolarHBondContact O-N 2.73Å; I908-Y910 PolarHBondContact O-N 3.48Å; I908-S911 PolarHBondContact O-OG 2.99Å; I908-R912 WeakPolarHBondContact O-CB 3.32Å; I908-R912 VanDerWaalsContact O-CG 3.31Å; I908-R912 WeakPolarHBondContact O-CG 3.16Å; I908-R912 PolarHBondContact O-N 3.4Å; I908-R912 VanDerWaalsContact O-N 3.15Å
909	L	87.4	Confident	88.7	Confident	49 Å²	49	50.3 Å²	50.3	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-47.7	176.4	-178	65.3	0	0	0	112	E489 F490 P693 R905 K906 R912 K913	E489-L909 HydrophobicContact CB-CD2 4.47Å; F490-L909 HydrophobicContact CE1-CD2 4.48Å; F490-L909 HydrophobicContact CE2-CD2 4.24Å; F490-L909 HydrophobicContact CE2-CG 4.4Å; F490-L909 HydrophobicContact CZ-CB 4.06Å; F490-L909 HydrophobicContact CZ-CD2 3.75Å; F490-L909 HydrophobicContact CZ-CG 3.79Å; P693-L909 HydrophobicContact CB-CB 4.18Å; P693-L909 HydrophobicContact CB-CD1 3.88Å; R905-L909 PolarHBondContact O-N 3.26Å; K906-L909 PolarHBondContact O-N 3.22Å; L909-R912 PolarHBondContact O-N 3.11Å; L909-K913 WeakPolarHBondContact O-CB 3.06Å; L909-K913 PolarHBondContact O-N 2.74Å
910	Y	90.4	Very high	89.1	Confident	65 Å²	65	50.1 Å²	50.1	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-53.3	-179.3	-179.6	-89.7	0	0	0	111.8	F490 L495 I498 K906 Y907 I908 R912 K913 Y914 L966	F490-Y910 HydrophobicContact CE1-CD2 4.44Å; F490-Y910 HydrophobicContact CZ-CD2 4.34Å; L495-Y910 HydrophobicContact CD2-CD2 4.13Å; L495-Y910 HydrophobicContact CD2-CE2 3.84Å; I498-Y910 HydrophobicContact CD1-CD2 4.23Å; I498-Y910 HydrophobicContact CD1-CG 4.08Å; I498-Y910 HydrophobicContact CG2-CD1 3.79Å; I498-Y910 HydrophobicContact CG2-CE1 4.14Å; I498-Y910 HydrophobicContact CG2-CG 4.08Å; K906-Y910 WeakPolarHBondContact O-CB 3.47Å; K906-Y910 PolarHBondContact O-N 3.28Å; Y907-Y910 PolarHBondContact O-N 3.05Å; I908-Y910 PolarHBondContact O-N 3.48Å; Y910-R912 VanDerWaalsContact C-N 3.25Å; Y910-R912 PolarHBondContact O-N 2.93Å; Y910-K913 PolarHBondContact O-N 3.35Å; Y910-K913 VanDerWaalsContact O-N 3.11Å; Y910-Y914 HydrophobicContact CD1-CD2 4.42Å; Y910-Y914 AromaticContact CD2-CD2 3.44Å; Y910-Y914 HydrophobicContact CD2-CD2 3.44Å; Y910-Y914 VanDerWaalsContact CD2-CD2 3.44Å; Y910-Y914 AromaticContact CD2-CE2 3.63Å; Y910-Y914 HydrophobicContact CD2-CE2 3.63Å; Y910-Y914 HydrophobicContact CE1-CD2 4.46Å; Y910-Y914 AromaticContact CE2-CD2 3.48Å; Y910-Y914 HydrophobicContact CE2-CD2 3.48Å; Y910-Y914 VanDerWaalsContact CE2-CD2 3.48Å; Y910-Y914 AromaticContact CE2-CE2 3.81Å; Y910-Y914 HydrophobicContact CE2-CE2 3.81Å; Y910-Y914 HydrophobicContact CE2-CG 4.34Å; Y910-Y914 AromaticContact CG-CD2 3.93Å; Y910-Y914 HydrophobicContact CG-CD2 3.93Å; Y910-Y914 HydrophobicContact CG-CE2 4.42Å; Y910-Y914 WeakPolarHBondContact O-CD2 3.32Å; Y910-Y914 PolarHBondContact O-N 3.49Å; Y910-L966 HydrophobicContact CD1-CD1 4.5Å; Y910-L966 HydrophobicContact CD1-CD2 4.32Å; Y910-L966 HydrophobicContact CE1-CD1 4.27Å
911	S	91.8	Very high	89.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-35.5	179.7	64	0	0	0	0	112.8	F534 Y907 I908 V915 R963 L966	F534-S911 WeakPolarHBondContact CD1-OG 3.43Å; F534-S911 WeakPolarHBondContact CE1-OG 3.32Å; Y907-S911 WeakPolarHBondContact O-CB 3.28Å; Y907-S911 PolarHBondContact O-N 2.8Å; Y907-S911 PolarHBondContact O-OG 2.83Å; Y907-S911 VanDerWaalsContact O-OG 3.1Å; I908-S911 PolarHBondContact O-OG 2.99Å; S911-V915 VanDerWaalsContact O-CB 3.3Å; S911-V915 WeakPolarHBondContact O-CB 3.47Å; S911-V915 PolarHBondContact O-N 3.37Å; S911-V915 VanDerWaalsContact O-N 3.09Å; S911-R963 PolarHBondContact O-NE 2.94Å; S911-L966 VanDerWaalsContact CB-CD2 3.46Å
912	R	87.7	Confident	90.1	Very high	63 Å²	63	55.2 Å²	55.2	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-73.2	-32.7	177	-75.6	-169.5	58.9	-160.8	-14.7	113.8	L533 F534 Q735 I908 L909 Y910	L533-R912 WeakPolarHBondContact O-CD 3.45Å; F534-R912 WeakPolarHBondContact O-CD 3.11Å; F534-R912 VanDerWaalsContact O-CG 3.29Å; F534-R912 WeakPolarHBondContact O-CG 3.33Å; Q735-R912 VanDerWaalsContact O-CZ 3.26Å; Q735-R912 PolarHBondContact O-NH1 3.04Å; Q735-R912 PolarHBondContact O-NH2 2.63Å; I908-R912 WeakPolarHBondContact O-CB 3.32Å; I908-R912 VanDerWaalsContact O-CG 3.31Å; I908-R912 WeakPolarHBondContact O-CG 3.16Å; I908-R912 PolarHBondContact O-N 3.4Å; I908-R912 VanDerWaalsContact O-N 3.15Å; L909-R912 PolarHBondContact O-N 3.11Å; Y910-R912 VanDerWaalsContact C-N 3.25Å; Y910-R912 PolarHBondContact O-N 2.93Å
913	K	83.1	Confident	90.8	Very high	74 Å²	74	51.9 Å²	51.9	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-80.5	-40.8	-178.7	-169.4	172.3	-179.9	-173.7	0	112.3	D487 E489 L909 Y910	D487-K913 IonicContact OD1-NZ 3.59Å; D487-K913 PolarHBondContact OD1-NZ 3.06Å; D487-K913 IonicContact OD2-NZ 3.73Å; D487-K913 PolarHBondContact OD2-NZ 2.91Å; E489-K913 IonicContact OE2-NZ 3.48Å; L909-K913 WeakPolarHBondContact O-CB 3.06Å; L909-K913 PolarHBondContact O-N 2.74Å; Y910-K913 PolarHBondContact O-N 3.35Å; Y910-K913 VanDerWaalsContact O-N 3.11Å
914	Y	86.9	Confident	91.2	Very high	104 Å²	104	51.2 Å²	51.2	41%	0.408	24%	0.24	S	C	.	.	H	α-helix	trans	-112.2	-17.1	-169.8	-55	-71.8	0	0	0	115.5	D487 F490 Y910	D487-Y914 PolarHBondContact OD2-OH 2.96Å; F490-Y914 HydrophobicContact CD2-CE2 4.48Å; F490-Y914 HydrophobicContact CE2-CE2 4.1Å; Y910-Y914 HydrophobicContact CD1-CD2 4.42Å; Y910-Y914 AromaticContact CD2-CD2 3.44Å; Y910-Y914 HydrophobicContact CD2-CD2 3.44Å; Y910-Y914 VanDerWaalsContact CD2-CD2 3.44Å; Y910-Y914 AromaticContact CD2-CE2 3.63Å; Y910-Y914 HydrophobicContact CD2-CE2 3.63Å; Y910-Y914 HydrophobicContact CE1-CD2 4.46Å; Y910-Y914 AromaticContact CE2-CD2 3.48Å; Y910-Y914 HydrophobicContact CE2-CD2 3.48Å; Y910-Y914 VanDerWaalsContact CE2-CD2 3.48Å; Y910-Y914 AromaticContact CE2-CE2 3.81Å; Y910-Y914 HydrophobicContact CE2-CE2 3.81Å; Y910-Y914 HydrophobicContact CE2-CG 4.34Å; Y910-Y914 AromaticContact CG-CD2 3.93Å; Y910-Y914 HydrophobicContact CG-CD2 3.93Å; Y910-Y914 HydrophobicContact CG-CE2 4.42Å; Y910-Y914 WeakPolarHBondContact O-CD2 3.32Å; Y910-Y914 PolarHBondContact O-N 3.49Å
915	V	89.4	Confident	91.5	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.097	26%	0.26	C	S	.	.			trans	-110.3	122.9	-176.1	-168.8	0	0	0	0	111.5	S911 R963 L966 R967	S911-V915 VanDerWaalsContact O-CB 3.3Å; S911-V915 WeakPolarHBondContact O-CB 3.47Å; S911-V915 PolarHBondContact O-N 3.37Å; S911-V915 VanDerWaalsContact O-N 3.09Å; V915-R963 PolarHBondContact O-NE 2.89Å; V915-R963 PolarHBondContact O-NH2 3.13Å; V915-L966 HydrophobicContact CG2-CB 4.14Å; V915-L966 HydrophobicContact CG2-CD2 3.97Å; V915-R967 WeakPolarHBondContact CG1-O 3.43Å
916	M	90.7	Very high	91.9	Very high	123 Å²	123	53.7 Å²	53.7	61%	0.606	26%	0.257	S	S	*	.			trans	-130.4	86.4	178.7	-64.2	-160.4	-176.8	0	0	111.3	T537	T537-M916 HydrophobicContact CG2-CB 4.05Å
917	P	93.7	Very high	92.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.013	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70	132.9	-174.9	22.7	-30.1	0	0	0	113.6	T537 Q959 A962 R963 E968	T537-P917 HydrophobicContact CG2-CG 4.2Å; T537-P917 WeakPolarHBondContact CG2-O 3.38Å; P917-Q959 HydrophobicContact CG-CB 4.14Å; P917-Q959 WeakPolarHBondContact CG-O 3.46Å; P917-Q959 PolarHBondContact O-NE2 3.29Å; P917-A962 HydrophobicContact CB-CB 3.93Å; P917-A962 HydrophobicContact CG-CB 4.21Å; P917-R963 HydrophobicContact CG-CB 4.12Å; P917-E968 VanDerWaalsContact CA-O 3.25Å; P917-E968 WeakPolarHBondContact CA-O 3.33Å
918	Y	92.6	Very high	92.4	Very high	122 Å²	122	57.5 Å²	57.5	48%	0.478	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	156.6	166.1	62.9	-92.6	0	0	0	111.3	E968 E969 A970	Y918-E968 WeakPolarHBondContact CD1-O 3.49Å; Y918-E968 VanDerWaalsContact CE1-O 3.29Å; Y918-E968 WeakPolarHBondContact CE1-O 3.27Å; Y918-E968 PolarHBondContact N-O 2.76Å; Y918-E969 HydrophobicContact CD2-CB 4.48Å; Y918-E969 HydrophobicContact CD2-CG 4.1Å; Y918-E969 HydrophobicContact CE1-CB 4.21Å; Y918-E969 HydrophobicContact CE2-CB 3.88Å; Y918-E969 HydrophobicContact CE2-CG 3.51Å; Y918-E969 WeakPolarHBondContact CE2-OE2 3.42Å; Y918-E969 VanDerWaalsContact CZ-OE2 3.26Å; Y918-E969 PolarHBondContact OH-OE2 3.21Å; Y918-A970 PolarHBondContact O-N 3.01Å
919	L	92.5	Very high	92.5	Very high	45 Å²	45	60.8 Å²	60.8	24%	0.236	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.6	179	-169.6	68.7	0	0	0	109.8	A923 A924 L927 I955 T958 A970	L919-A923 HydrophobicContact CD1-CB 3.55Å; L919-A923 HydrophobicContact CG-CB 4.11Å; L919-A924 HydrophobicContact CD2-CB 3.85Å; L919-A924 HydrophobicContact CG-CB 4.33Å; L919-L927 HydrophobicContact CD1-CD1 4.39Å; L919-I955 HydrophobicContact CD2-CG1 4.35Å; L919-T958 HydrophobicContact CD1-CG2 3.76Å; L919-A970 HydrophobicContact CD1-CB 4.3Å
920	S	95.8	Very high	92.7	Very high	10 Å²	10	59.3 Å²	59.3	7%	0.07	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-67.6	155.3	172.4	64.5	0	0	0	0	111.8	E922 A923 A924 E969 A970	S920-E922 VanDerWaalsContact C-N 3.27Å; S920-E922 PolarHBondContact O-N 3.17Å; S920-A923 PolarHBondContact O-N 3.16Å; S920-A923 WeakPolarHBondContact OG-CB 3.1Å; S920-A923 PolarHBondContact OG-N 3.08Å; S920-A924 PolarHBondContact O-N 2.87Å; S920-E969 WeakPolarHBondContact CB-OE1 3.49Å; S920-A970 WeakPolarHBondContact CB-O 3.48Å; S920-A970 PolarHBondContact N-O 3.11Å; S920-A970 PolarHBondContact OG-O 3.29Å
921	N	95.4	Very high	92.8	Very high	137 Å²	137	56.7 Å²	56.7	73%	0.733	27%	0.269	S	S	*	.	H	α-helix	trans	-61.1	-36.9	177.2	-69.6	-26.5	0	0	0	112.1	A924 I925	N921-A924 PolarHBondContact O-N 3.08Å; N921-I925 WeakPolarHBondContact O-CG1 3.35Å; N921-I925 PolarHBondContact O-N 2.68Å
922	E	96.4	Very high	92.7	Very high	122 Å²	122	60.5 Å²	60.5	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-68.4	-40.3	178	-62.2	-173.7	-168	0	0	112.6	S920 I925 T926 K972	S920-E922 VanDerWaalsContact C-N 3.27Å; S920-E922 PolarHBondContact O-N 3.17Å; E922-I925 PolarHBondContact O-N 2.82Å; E922-T926 WeakPolarHBondContact O-CB 3.24Å; E922-T926 PolarHBondContact O-N 3.21Å; E922-T926 PolarHBondContact O-OG1 3Å; E922-K972 HydrophobicContact CB-CB 4.07Å; E922-K972 HydrophobicContact CB-CD 4.5Å
923	A	96.6	Very high	92.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-43.5	172.6	0	0	0	0	0	110.9	L919 S920 I925 T926 L927 T971 A975	L919-A923 HydrophobicContact CD1-CB 3.55Å; L919-A923 HydrophobicContact CG-CB 4.11Å; S920-A923 PolarHBondContact O-N 3.16Å; S920-A923 WeakPolarHBondContact OG-CB 3.1Å; S920-A923 PolarHBondContact OG-N 3.08Å; A923-I925 PolarHBondContact O-N 3.17Å; A923-T926 PolarHBondContact O-N 3.37Å; A923-L927 WeakPolarHBondContact O-CG 3.45Å; A923-L927 PolarHBondContact O-N 3.22Å; A923-T971 WeakPolarHBondContact CB-O 3.41Å; A923-A975 HydrophobicContact CB-CB 4.08Å
924	A	95.3	Very high	92.6	Very high	41 Å²	41	58.7 Å²	58.7	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-41	177.6	0	0	0	0	0	112.9	L919 S920 N921 R928	L919-A924 HydrophobicContact CD2-CB 3.85Å; L919-A924 HydrophobicContact CG-CB 4.33Å; S920-A924 PolarHBondContact O-N 2.87Å; N921-A924 PolarHBondContact O-N 3.08Å; A924-R928 VanDerWaalsContact O-CB 3.31Å; A924-R928 WeakPolarHBondContact O-CB 3.23Å; A924-R928 PolarHBondContact O-N 3.32Å
925	I	97	Very high	92.4	Very high	82 Å²	82	59.1 Å²	59.1	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-49.9	173	-71.7	164.7	0	0	0	110.5	N921 E922 A923 L927 R928 D929	N921-I925 WeakPolarHBondContact O-CG1 3.35Å; N921-I925 PolarHBondContact O-N 2.68Å; E922-I925 PolarHBondContact O-N 2.82Å; A923-I925 PolarHBondContact O-N 3.17Å; I925-L927 PolarHBondContact O-N 3.36Å; I925-R928 WeakPolarHBondContact O-CB 3.49Å; I925-R928 PolarHBondContact O-N 3.3Å; I925-D929 WeakPolarHBondContact CG2-OD2 3.47Å; I925-D929 VanDerWaalsContact O-CG 3.29Å; I925-D929 PolarHBondContact O-N 2.9Å
926	T	96.2	Very high	92	Very high	22 Å²	22	66 Å²	66	14%	0.135	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-44.9	-178	-55.2	0	0	0	0	111.8	E922 A923 D929 F930 A975 L976	E922-T926 WeakPolarHBondContact O-CB 3.24Å; E922-T926 PolarHBondContact O-N 3.21Å; E922-T926 PolarHBondContact O-OG1 3Å; A923-T926 PolarHBondContact O-N 3.37Å; T926-D929 PolarHBondContact O-N 3.19Å; T926-F930 WeakPolarHBondContact O-CB 3.19Å; T926-F930 PolarHBondContact O-N 2.71Å; T926-F930 VanDerWaalsContact O-N 3.14Å; T926-A975 HydrophobicContact CG2-CB 4.19Å; T926-L976 HydrophobicContact CG2-CD2 3.78Å; T926-L976 HydrophobicContact CG2-CG 4.27Å
927	L	95.5	Very high	90.8	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-37.1	176.7	-66.5	-174.7	0	0	0	113	L919 A923 I925 Y931 L954 I955 T958 A975	L919-L927 HydrophobicContact CD1-CD1 4.39Å; A923-L927 WeakPolarHBondContact O-CG 3.45Å; A923-L927 PolarHBondContact O-N 3.22Å; I925-L927 PolarHBondContact O-N 3.36Å; L927-Y931 WeakPolarHBondContact O-CB 3.19Å; L927-Y931 PolarHBondContact O-N 2.98Å; L927-L954 HydrophobicContact CD1-CB 4.26Å; L927-L954 HydrophobicContact CD2-CB 4Å; L927-L954 HydrophobicContact CD2-CD2 4.45Å; L927-I955 HydrophobicContact CD1-CG1 3.97Å; L927-T958 HydrophobicContact CD1-CG2 4.41Å; L927-A975 HydrophobicContact CD2-CB 3.7Å; L927-A975 HydrophobicContact CG-CB 3.9Å
928	R	94.5	Very high	89.1	Confident	128 Å²	128	71.4 Å²	71.4	48%	0.483	33%	0.332	S	S	.	.	H	α-helix	trans	-61.4	-47.4	175.1	178.3	-161.4	69.7	-166.7	-4.1	110.8	A924 I925 Y931 L932	A924-R928 VanDerWaalsContact O-CB 3.31Å; A924-R928 WeakPolarHBondContact O-CB 3.23Å; A924-R928 PolarHBondContact O-N 3.32Å; I925-R928 WeakPolarHBondContact O-CB 3.49Å; I925-R928 PolarHBondContact O-N 3.3Å; R928-Y931 PolarHBondContact O-N 2.84Å; R928-L932 HydrophobicContact CG-CD1 4.21Å; R928-L932 WeakPolarHBondContact O-CG 3.39Å; R928-L932 PolarHBondContact O-N 3.24Å
929	D	94.6	Very high	87.3	Confident	69 Å²	69	74.2 Å²	74.2	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-72.1	-42	-171.7	-64.8	-17.5	0	0	0	111.1	I925 T926 Y931 L932 E933	I925-D929 WeakPolarHBondContact CG2-OD2 3.47Å; I925-D929 VanDerWaalsContact O-CG 3.29Å; I925-D929 PolarHBondContact O-N 2.9Å; T926-D929 PolarHBondContact O-N 3.19Å; D929-Y931 VanDerWaalsContact C-N 3.35Å; D929-Y931 PolarHBondContact O-N 3.27Å; D929-L932 PolarHBondContact O-N 3.2Å; D929-E933 PolarHBondContact O-N 3.23Å
930	F	91.7	Very high	85.7	Confident	18 Å²	18	74.5 Å²	74.5	8%	0.079	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-40.8	169	176.3	-107.8	0	0	0	112.8	T926 L932 E933 L934 L954 C979 M982 Q983	T926-F930 WeakPolarHBondContact O-CB 3.19Å; T926-F930 PolarHBondContact O-N 2.71Å; T926-F930 VanDerWaalsContact O-N 3.14Å; F930-L932 VanDerWaalsContact C-N 3.35Å; F930-L932 PolarHBondContact O-N 3.13Å; F930-E933 WeakPolarHBondContact O-CB 3.47Å; F930-E933 PolarHBondContact O-N 3.07Å; F930-L934 HydrophobicContact CD1-CD1 4.08Å; F930-L934 HydrophobicContact CE1-CD1 3.55Å; F930-L934 HydrophobicContact CE1-CG 4.16Å; F930-L934 HydrophobicContact CE2-CG 4.42Å; F930-L934 HydrophobicContact CZ-CD1 3.87Å; F930-L934 HydrophobicContact CZ-CD2 4.24Å; F930-L934 HydrophobicContact CZ-CG 4.1Å; F930-L934 PolarHBondContact O-N 3.23Å; F930-L954 HydrophobicContact CD1-CD1 3.74Å; F930-L954 HydrophobicContact CD1-CD2 4.3Å; F930-L954 HydrophobicContact CE1-CD1 3.96Å; F930-L954 HydrophobicContact CE1-CD2 3.98Å; F930-C979 HydrophobicContact CD1-CB 4.2Å; F930-C979 WeakPolarHBondContact CD1-SG 3.26Å; F930-C979 HydrophobicContact CD2-CB 4.18Å; F930-C979 HydrophobicContact CE1-CB 4.18Å; F930-C979 HydrophobicContact CE2-CB 4.17Å; F930-C979 HydrophobicContact CG-CB 4.18Å; F930-C979 WeakPolarHBondContact CG-SG 3.41Å; F930-C979 HydrophobicContact CZ-CB 4.16Å; F930-M982 HydrophobicContact CE1-CB 4.18Å; F930-M982 HydrophobicContact CE1-CG 4.11Å; F930-M982 HydrophobicContact CZ-CB 4.23Å; F930-M982 HydrophobicContact CZ-CG 4.26Å; F930-Q983 HydrophobicContact CE2-CG 3.85Å; F930-Q983 HydrophobicContact CZ-CG 3.98Å
931	Y	90.7	Very high	83.6	Confident	10 Å²	10	84.7 Å²	84.7	4%	0.039	39%	0.392	C	S	.	.	H	α-helix	trans	-65.7	-36.1	177	179.2	-107.7	0	0	0	113	L927 R928 D929 R935 V946 T947 L948 Q950 L951	L927-Y931 WeakPolarHBondContact O-CB 3.19Å; L927-Y931 PolarHBondContact O-N 2.98Å; R928-Y931 PolarHBondContact O-N 2.84Å; D929-Y931 VanDerWaalsContact C-N 3.35Å; D929-Y931 PolarHBondContact O-N 3.27Å; Y931-R935 HydrophobicContact CE1-CG 4.39Å; Y931-R935 VanDerWaalsContact CE1-NE 3.26Å; Y931-R935 VanDerWaalsContact CZ-NE 3.33Å; Y931-R935 PolarHBondContact O-N 3.22Å; Y931-R935 VanDerWaalsContact O-N 3.12Å; Y931-R935 PolarHBondContact OH-NE 3.07Å; Y931-R935 PolarHBondContact OH-NH2 3.14Å; Y931-V946 HydrophobicContact CD2-CG1 4.41Å; Y931-V946 HydrophobicContact CE2-CG1 3.73Å; Y931-T947 VanDerWaalsContact CE2-O 3.25Å; Y931-T947 WeakPolarHBondContact CE2-O 3.39Å; Y931-T947 PolarHBondContact OH-O 3.46Å; Y931-L948 HydrophobicContact CE1-CD2 4.5Å; Y931-L948 WeakPolarHBondContact OH-CA 3.28Å; Y931-L948 PolarHBondContact OH-N 3.41Å; Y931-Q950 HydrophobicContact CE2-CB 4.38Å; Y931-L951 HydrophobicContact CD1-CB 4.23Å; Y931-L951 HydrophobicContact CD1-CD1 4.48Å; Y931-L951 HydrophobicContact CD1-CD2 4.05Å; Y931-L951 HydrophobicContact CD1-CG 4.49Å; Y931-L951 HydrophobicContact CD2-CB 3.82Å; Y931-L951 HydrophobicContact CE1-CB 4.31Å; Y931-L951 HydrophobicContact CE1-CD2 4.27Å; Y931-L951 HydrophobicContact CE2-CB 3.92Å; Y931-L951 HydrophobicContact CG-CB 3.98Å; Y931-L951 HydrophobicContact CG-CD1 4.13Å; Y931-L951 HydrophobicContact CG-CD2 4.45Å; Y931-L951 HydrophobicContact CG-CG 4.41Å
932	L	90.5	Very high	81.6	Confident	81 Å²	81	81.3 Å²	81.3	42%	0.424	37%	0.374	S	S	.	.	H	α-helix	trans	-69.4	-33.7	172.8	-69.2	172.2	0	0	0	111.9	R928 D929 F930 R935 K936	R928-L932 HydrophobicContact CG-CD1 4.21Å; R928-L932 WeakPolarHBondContact O-CG 3.39Å; R928-L932 PolarHBondContact O-N 3.24Å; D929-L932 PolarHBondContact O-N 3.2Å; F930-L932 VanDerWaalsContact C-N 3.35Å; F930-L932 PolarHBondContact O-N 3.13Å; L932-R935 PolarHBondContact O-N 2.72Å; L932-K936 WeakPolarHBondContact O-CG 3.27Å; L932-K936 PolarHBondContact O-N 2.93Å
933	E	86.7	Confident	79.8	Confident	83 Å²	83	77 Å²	77	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-65.7	-46.2	172.6	-175.5	172.4	-156.1	0	0	112.4	D929 F930 R935 K936 H937	D929-E933 PolarHBondContact O-N 3.23Å; F930-E933 WeakPolarHBondContact O-CB 3.47Å; F930-E933 PolarHBondContact O-N 3.07Å; E933-R935 VanDerWaalsContact C-N 3.27Å; E933-R935 PolarHBondContact O-N 2.69Å; E933-K936 WeakPolarHBondContact O-CB 3.45Å; E933-K936 PolarHBondContact O-N 3.17Å; E933-K936 VanDerWaalsContact O-N 3.1Å; E933-H937 PolarHBondContact O-ND1 2.68Å
934	L	81.8	Confident	78.4	Confident	16 Å²	16	78.1 Å²	78.1	8%	0.084	36%	0.361	C	S	.	.	H	α-helix	trans	-56	-42.4	172.3	-72.8	176.6	0	0	0	111.5	F930 K936 H937 V946 G988	F930-L934 HydrophobicContact CD1-CD1 4.08Å; F930-L934 HydrophobicContact CE1-CD1 3.55Å; F930-L934 HydrophobicContact CE1-CG 4.16Å; F930-L934 HydrophobicContact CE2-CG 4.42Å; F930-L934 HydrophobicContact CZ-CD1 3.87Å; F930-L934 HydrophobicContact CZ-CD2 4.24Å; F930-L934 HydrophobicContact CZ-CG 4.1Å; F930-L934 PolarHBondContact O-N 3.23Å; L934-K936 VanDerWaalsContact C-N 3.31Å; L934-K936 PolarHBondContact O-N 3.47Å; L934-H937 PolarHBondContact O-N 3.2Å; L934-V946 HydrophobicContact CB-CG1 4.34Å; L934-V946 HydrophobicContact CB-CG2 4.16Å; L934-G988 WeakPolarHBondContact CD2-O 3.47Å
935	R	82.6	Confident	77.2	Confident	112 Å²	112	79.8 Å²	79.8	42%	0.423	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-31	176.8	-81.3	-169.2	174.3	-154.9	3.7	114.1	Y931 L932 E933 R938 V946	Y931-R935 HydrophobicContact CE1-CG 4.39Å; Y931-R935 VanDerWaalsContact CE1-NE 3.26Å; Y931-R935 VanDerWaalsContact CZ-NE 3.33Å; Y931-R935 PolarHBondContact O-N 3.22Å; Y931-R935 VanDerWaalsContact O-N 3.12Å; Y931-R935 PolarHBondContact OH-NE 3.07Å; Y931-R935 PolarHBondContact OH-NH2 3.14Å; L932-R935 PolarHBondContact O-N 2.72Å; E933-R935 VanDerWaalsContact C-N 3.27Å; E933-R935 PolarHBondContact O-N 2.69Å; R935-R938 WeakPolarHBondContact O-CB 3.24Å; R935-V946 HydrophobicContact CB-CG1 4.49Å; R935-V946 HydrophobicContact CG-CB 4.39Å; R935-V946 HydrophobicContact CG-CG1 3.55Å
936	K	80.7	Confident	76.4	Confident	161 Å²	161	76.3 Å²	76.3	70%	0.7	35%	0.351	S	S	*	.	H	α-helix	trans	-68.7	-36.6	-179.7	-72.7	168.3	-175.9	174.9	0	112.4	L932 E933 L934 R938	L932-K936 WeakPolarHBondContact O-CG 3.27Å; L932-K936 PolarHBondContact O-N 2.93Å; E933-K936 WeakPolarHBondContact O-CB 3.45Å; E933-K936 PolarHBondContact O-N 3.17Å; E933-K936 VanDerWaalsContact O-N 3.1Å; L934-K936 VanDerWaalsContact C-N 3.31Å; L934-K936 PolarHBondContact O-N 3.47Å; K936-R938 PolarHBondContact O-N 3.3Å; K936-R938 VanDerWaalsContact O-N 3.13Å
937	H	66.8	Low	75.9	Confident	108 Å²	108	77.3 Å²	77.3	50%	0.5	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-2.1	-175.2	-68.6	91	0	0	0	114.7	E933 L934 H939	E933-H937 PolarHBondContact O-ND1 2.68Å; L934-H937 PolarHBondContact O-N 3.2Å; H937-H939 PolarHBondContact O-N 3.23Å
938	R	58.1	Low	75.5	Confident	131 Å²	131	82.7 Å²	82.7	49%	0.494	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	2	-170.9	-156.6	-180	-167.7	-110.8	6.7	116	R935 K936	R935-R938 WeakPolarHBondContact O-CB 3.24Å; K936-R938 PolarHBondContact O-N 3.3Å; K936-R938 VanDerWaalsContact O-N 3.13Å
939	H	53.3	Low	75.2	Confident	181 Å²	181	80.1 Å²	80.1	84%	0.838	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-12.2	-178.8	-75.5	40.1	0	0	0	113.8	H937 R941	H937-H939 PolarHBondContact O-N 3.23Å; H939-R941 PolarHBondContact O-N 2.88Å
940	S	58.7	Low	74.9	Confident	51 Å²	51	77.5 Å²	77.5	36%	0.357	36%	0.361	S	S	.	.	S	Bend	trans	-68	124.3	164.1	-178.4	0	0	0	0	109.2	D942 T943	S940-D942 PolarHBondContact O-N 3.12Å; S940-T943 PolarHBondContact O-N 2.89Å
941	R	52.1	Low	75	Confident	224 Å²	224	78.9 Å²	78.9	85%	0.845	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.9	-178.3	-78.7	-174.9	171.3	-177.9	-2.9	113.2	R795 H939	R795-R941 VanDerWaalsContact CZ-O 3.24Å; R795-R941 PolarHBondContact NH1-O 2.84Å; R795-R941 VanDerWaalsContact NH1-O 3.1Å; R795-R941 VanDerWaalsContact NH2-C 3.28Å; R795-R941 PolarHBondContact NH2-O 3.46Å; H939-R941 PolarHBondContact O-N 2.88Å
942	D	53.4	Low	75	Confident	66 Å²	66	80.8 Å²	80.8	35%	0.353	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.7	-167.4	-57.5	-46.9	0	0	0	114.6	R795 S940 I992	R795-D942 IonicContact CZ-OD1 2.71Å; R795-D942 VanDerWaalsContact CZ-OD1 3.28Å; R795-D942 IonicContact NE-OD1 2.82Å; R795-D942 PolarHBondContact NE-OD1 3.25Å; R795-D942 IonicContact NH2-OD1 2.75Å; R795-D942 PolarHBondContact NH2-OD1 3.15Å; S940-D942 PolarHBondContact O-N 3.12Å; D942-I992 HydrophobicContact CB-CB 4.25Å; D942-I992 HydrophobicContact CB-CD1 3.83Å; D942-I992 HydrophobicContact CB-CG1 3.74Å
943	T	59.6	Low	75.1	Confident	32 Å²	32	77.1 Å²	77.1	20%	0.196	36%	0.359	C	S	.	.	S	Bend	trans	-91.4	145.8	-178.1	-51.1	0	0	0	0	112.2	S940	S940-T943 PolarHBondContact O-N 2.89Å
944	F	66.4	Low	75.5	Confident	23 Å²	23	73.1 Å²	73.1	10%	0.101	34%	0.341	C	S	.	.			trans	-60.5	141.1	176.1	-91	-109.8	0	0	0	111.9	L796 D797 L807 V946 L987	L796-F944 HydrophobicContact CB-CE2 3.68Å; L796-F944 HydrophobicContact CB-CZ 4.01Å; L796-F944 HydrophobicContact CD2-CE2 4.24Å; L796-F944 HydrophobicContact CD2-CZ 4.27Å; L796-F944 HydrophobicContact CG-CE2 4.45Å; L796-F944 HydrophobicContact CG-CZ 4.43Å; D797-F944 HydrophobicContact CB-CZ 4.03Å; L807-F944 HydrophobicContact CB-CE1 3.98Å; L807-F944 HydrophobicContact CD1-CE1 3.91Å; L807-F944 HydrophobicContact CD1-CZ 3.82Å; F944-V946 PolarHBondContact O-N 2.89Å; F944-L987 HydrophobicContact CB-CD2 3.87Å; F944-L987 HydrophobicContact CD1-CD2 3.87Å; F944-L987 HydrophobicContact CG-CD2 3.82Å
945	P	71.1	Confident	76.1	Confident	76 Å²	76	74.7 Å²	74.7	49%	0.494	35%	0.348	S	S	.	.			trans	-67.4	105.8	-179	26.5	-33.8	0	0	0	110.4	T947	P945-T947 WeakPolarHBondContact O-CG2 3.48Å; P945-T947 PolarHBondContact O-N 3.39Å; P945-T947 VanDerWaalsContact O-N 3.13Å
946	V	80.6	Confident	76.7	Confident	9 Å²	9	69.9 Å²	69.9	6%	0.055	33%	0.33	C	S	.	.			trans	-55.2	118.2	170.8	173.7	0	0	0	0	109.3	Y931 L934 R935 F944 Q950	Y931-V946 HydrophobicContact CD2-CG1 4.41Å; Y931-V946 HydrophobicContact CE2-CG1 3.73Å; L934-V946 HydrophobicContact CB-CG1 4.34Å; L934-V946 HydrophobicContact CB-CG2 4.16Å; R935-V946 HydrophobicContact CB-CG1 4.49Å; R935-V946 HydrophobicContact CG-CB 4.39Å; R935-V946 HydrophobicContact CG-CG1 3.55Å; F944-V946 PolarHBondContact O-N 2.89Å; V946-Q950 VanDerWaalsContact CA-OE1 3.29Å
947	T	84.4	Confident	77.4	Confident	43 Å²	43	62.2 Å²	62.2	26%	0.264	30%	0.297	S	S	.	.			trans	-119.1	174.2	180	59.8	0	0	0	0	110.7	Y931 P945 R949	Y931-T947 VanDerWaalsContact CE2-O 3.25Å; Y931-T947 WeakPolarHBondContact CE2-O 3.39Å; Y931-T947 PolarHBondContact OH-O 3.46Å; P945-T947 WeakPolarHBondContact O-CG2 3.48Å; P945-T947 PolarHBondContact O-N 3.39Å; P945-T947 VanDerWaalsContact O-N 3.13Å; T947-R949 PolarHBondContact O-N 3.02Å; T947-R949 PolarHBondContact OG1-N 2.69Å
948	L	88.1	Confident	78.8	Confident	115 Å²	115	57.1 Å²	57.1	60%	0.602	27%	0.273	S	S	*	.	H	α-helix	trans	-62.2	-24.1	174.4	-70.9	170.4	0	0	0	113	Y931 Q950 L951 E952	Y931-L948 HydrophobicContact CE1-CD2 4.5Å; Y931-L948 WeakPolarHBondContact OH-CA 3.28Å; Y931-L948 PolarHBondContact OH-N 3.41Å; L948-Q950 VanDerWaalsContact C-N 3.3Å; L948-Q950 PolarHBondContact O-N 3.19Å; L948-L951 WeakPolarHBondContact O-CB 3.33Å; L948-L951 PolarHBondContact O-N 3.32Å; L948-L951 VanDerWaalsContact O-N 3.11Å; L948-E952 PolarHBondContact O-N 3.16Å
949	R	87.6	Confident	80.6	Confident	73 Å²	73	52 Å²	52	28%	0.275	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-41.9	-179.6	-63.7	179.2	-174.3	129.3	14.2	112.1	E758 S808 R809 T947 L951 E952 S953	E758-R949 IonicContact OE1-CZ 3.8Å; E758-R949 IonicContact OE1-NE 3.56Å; E758-R949 PolarHBondContact OE1-NE 2.72Å; E758-R949 IonicContact OE1-NH2 2.66Å; S808-R949 VanDerWaalsContact O-CD 3.26Å; S808-R949 WeakPolarHBondContact O-CD 3.5Å; S808-R949 PolarHBondContact OG-NH1 3.07Å; R809-R949 VanDerWaalsContact NH1-NH2 3.19Å; T947-R949 PolarHBondContact O-N 3.02Å; T947-R949 PolarHBondContact OG1-N 2.69Å; R949-L951 VanDerWaalsContact C-N 3.32Å; R949-L951 PolarHBondContact O-N 2.96Å; R949-E952 CarbonylContact O-C 3.55Å; R949-E952 WeakPolarHBondContact O-CA 3.46Å; R949-E952 WeakPolarHBondContact O-CB 3.39Å; R949-E952 PolarHBondContact O-N 3.32Å; R949-S953 PolarHBondContact O-N 3.36Å; R949-S953 PolarHBondContact O-OG 3.25Å
950	Q	89.1	Confident	82.7	Confident	15 Å²	15	43.3 Å²	43.3	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-34.8	178.9	-74.6	173.5	-31.3	0	0	113	Y931 V946 L948 E952 S953 L954	Y931-Q950 HydrophobicContact CE2-CB 4.38Å; V946-Q950 VanDerWaalsContact CA-OE1 3.29Å; L948-Q950 VanDerWaalsContact C-N 3.3Å; L948-Q950 PolarHBondContact O-N 3.19Å; Q950-E952 VanDerWaalsContact C-N 3.33Å; Q950-S953 WeakPolarHBondContact O-CB 3.3Å; Q950-S953 PolarHBondContact O-N 2.69Å; Q950-L954 VanDerWaalsContact O-CG 3.26Å; Q950-L954 WeakPolarHBondContact O-CG 3.47Å; Q950-L954 PolarHBondContact O-N 3.33Å
951	L	92.1	Very high	84.5	Confident	46 Å²	46	41.1 Å²	41.1	24%	0.241	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-39.2	173.4	179.7	59.2	0	0	0	111	Y931 L948 R949 I955	Y931-L951 HydrophobicContact CD1-CB 4.23Å; Y931-L951 HydrophobicContact CD1-CD1 4.48Å; Y931-L951 HydrophobicContact CD1-CD2 4.05Å; Y931-L951 HydrophobicContact CD1-CG 4.49Å; Y931-L951 HydrophobicContact CD2-CB 3.82Å; Y931-L951 HydrophobicContact CE1-CB 4.31Å; Y931-L951 HydrophobicContact CE1-CD2 4.27Å; Y931-L951 HydrophobicContact CE2-CB 3.92Å; Y931-L951 HydrophobicContact CG-CB 3.98Å; Y931-L951 HydrophobicContact CG-CD1 4.13Å; Y931-L951 HydrophobicContact CG-CD2 4.45Å; Y931-L951 HydrophobicContact CG-CG 4.41Å; L948-L951 WeakPolarHBondContact O-CB 3.33Å; L948-L951 PolarHBondContact O-N 3.32Å; L948-L951 VanDerWaalsContact O-N 3.11Å; R949-L951 VanDerWaalsContact C-N 3.32Å; R949-L951 PolarHBondContact O-N 2.96Å; L951-I955 HydrophobicContact CD1-CD1 4.49Å; L951-I955 HydrophobicContact CG-CD1 4.31Å; L951-I955 WeakPolarHBondContact O-CD1 3.49Å; L951-I955 VanDerWaalsContact O-CG1 3.3Å; L951-I955 WeakPolarHBondContact O-CG1 3.46Å; L951-I955 PolarHBondContact O-N 2.95Å; L951-I955 VanDerWaalsContact O-N 3.12Å
952	E	91.5	Very high	86.6	Confident	50 Å²	50	30.4 Å²	30.4	23%	0.234	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-37.3	173.1	-53.8	-167.8	132.6	0	0	112.7	L948 R949 Q950 I955 R956	L948-E952 PolarHBondContact O-N 3.16Å; R949-E952 CarbonylContact O-C 3.55Å; R949-E952 WeakPolarHBondContact O-CA 3.46Å; R949-E952 WeakPolarHBondContact O-CB 3.39Å; R949-E952 PolarHBondContact O-N 3.32Å; Q950-E952 VanDerWaalsContact C-N 3.33Å; E952-I955 PolarHBondContact O-N 2.95Å; E952-R956 VanDerWaalsContact CB-NH1 3.31Å; E952-R956 VanDerWaalsContact O-CG 3.27Å; E952-R956 WeakPolarHBondContact O-CG 3.42Å; E952-R956 PolarHBondContact O-N 2.8Å; E952-R956 IonicContact OE2-CZ 3.44Å; E952-R956 IonicContact OE2-NH1 3.39Å; E952-R956 IonicContact OE2-NH2 3.7Å; E952-R956 PolarHBondContact OE2-NH2 2.72Å
953	S	92.8	Very high	88.6	Confident	4 Å²	4	27.8 Å²	27.8	3%	0.028	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-49.5	173	-55.2	0	0	0	0	110.8	D811 R949 Q950 I955 R956 L957	D811-S953 WeakPolarHBondContact OD1-CA 3.44Å; D811-S953 VanDerWaalsContact OD1-CB 3.22Å; D811-S953 WeakPolarHBondContact OD1-CB 3.49Å; D811-S953 PolarHBondContact OD1-OG 3.03Å; R949-S953 PolarHBondContact O-N 3.36Å; R949-S953 PolarHBondContact O-OG 3.25Å; Q950-S953 WeakPolarHBondContact O-CB 3.3Å; Q950-S953 PolarHBondContact O-N 2.69Å; S953-I955 PolarHBondContact O-N 2.58Å; S953-R956 PolarHBondContact O-N 3.3Å; S953-L957 WeakPolarHBondContact O-CB 3.36Å; S953-L957 VanDerWaalsContact O-CG 3.26Å; S953-L957 WeakPolarHBondContact O-CG 3.22Å; S953-L957 PolarHBondContact O-N 2.91Å
954	L	94.4	Very high	90.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-45.2	176	-70.9	168.7	0	0	0	111.7	L927 F930 Q950 L957 T958 V978 M982	L927-L954 HydrophobicContact CD1-CB 4.26Å; L927-L954 HydrophobicContact CD2-CB 4Å; L927-L954 HydrophobicContact CD2-CD2 4.45Å; F930-L954 HydrophobicContact CD1-CD1 3.74Å; F930-L954 HydrophobicContact CD1-CD2 4.3Å; F930-L954 HydrophobicContact CE1-CD1 3.96Å; F930-L954 HydrophobicContact CE1-CD2 3.98Å; Q950-L954 VanDerWaalsContact O-CG 3.26Å; Q950-L954 WeakPolarHBondContact O-CG 3.47Å; Q950-L954 PolarHBondContact O-N 3.33Å; L954-L957 PolarHBondContact O-N 3.33Å; L954-T958 VanDerWaalsContact O-CB 3.24Å; L954-T958 WeakPolarHBondContact O-CB 3.46Å; L954-T958 PolarHBondContact O-N 2.92Å; L954-T958 PolarHBondContact O-OG1 3.09Å; L954-V978 HydrophobicContact CD2-CG1 3.8Å; L954-M982 HydrophobicContact CD2-CB 4.02Å; L954-M982 HydrophobicContact CD2-CE 3.98Å; L954-M982 HydrophobicContact CD2-CG 4.24Å; L954-M982 HydrophobicContact CG-CE 4.27Å
955	I	94.7	Very high	91.7	Very high	48 Å²	48	27.6 Å²	27.6	25%	0.246	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-45.6	177.4	-67	163.7	0	0	0	111.3	L919 L927 L951 E952 S953 L957 T958 Q959	L919-I955 HydrophobicContact CD2-CG1 4.35Å; L927-I955 HydrophobicContact CD1-CG1 3.97Å; L951-I955 HydrophobicContact CD1-CD1 4.49Å; L951-I955 HydrophobicContact CG-CD1 4.31Å; L951-I955 WeakPolarHBondContact O-CD1 3.49Å; L951-I955 VanDerWaalsContact O-CG1 3.3Å; L951-I955 WeakPolarHBondContact O-CG1 3.46Å; L951-I955 PolarHBondContact O-N 2.95Å; L951-I955 VanDerWaalsContact O-N 3.12Å; E952-I955 PolarHBondContact O-N 2.95Å; S953-I955 PolarHBondContact O-N 2.58Å; I955-L957 PolarHBondContact O-N 3.34Å; I955-T958 PolarHBondContact O-N 3.3Å; I955-Q959 WeakPolarHBondContact O-CG 3.4Å; I955-Q959 PolarHBondContact O-N 3.15Å
956	R	94.6	Very high	92.8	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.045	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-47.8	177.3	-69.9	164.8	-170.1	120.5	12.9	111.6	G536 R666 D811 E952 S953 Q959 A960	G536-R956 WeakPolarHBondContact CA-O 3.41Å; R666-R956 VanDerWaalsContact CG-NH2 3.34Å; R666-R956 PolarHBondContact O-NE 3.05Å; D811-R956 IonicContact OD1-NH1 3.48Å; D811-R956 PolarHBondContact OD1-NH1 3.37Å; E952-R956 VanDerWaalsContact CB-NH1 3.31Å; E952-R956 VanDerWaalsContact O-CG 3.27Å; E952-R956 WeakPolarHBondContact O-CG 3.42Å; E952-R956 PolarHBondContact O-N 2.8Å; E952-R956 IonicContact OE2-CZ 3.44Å; E952-R956 IonicContact OE2-NH1 3.39Å; E952-R956 IonicContact OE2-NH2 3.7Å; E952-R956 PolarHBondContact OE2-NH2 2.72Å; S953-R956 PolarHBondContact O-N 3.3Å; R956-Q959 PolarHBondContact O-N 3.08Å; R956-A960 WeakPolarHBondContact O-CB 3.47Å; R956-A960 PolarHBondContact O-N 3.1Å
957	L	95.7	Very high	93.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.1	-39.2	-179.1	-69.4	168.1	0	0	0	111.8	L531 L812 S953 L954 I955 Q959 A960 R961 V978 M982	L531-L957 HydrophobicContact CB-CD2 3.9Å; L531-L957 HydrophobicContact CD1-CD2 4.34Å; L812-L957 HydrophobicContact CD1-CD1 4.03Å; L812-L957 HydrophobicContact CD1-CD2 3.95Å; L812-L957 HydrophobicContact CD2-CD1 3.8Å; L812-L957 HydrophobicContact CG-CD1 3.87Å; S953-L957 WeakPolarHBondContact O-CB 3.36Å; S953-L957 VanDerWaalsContact O-CG 3.26Å; S953-L957 WeakPolarHBondContact O-CG 3.22Å; S953-L957 PolarHBondContact O-N 2.91Å; L954-L957 PolarHBondContact O-N 3.33Å; I955-L957 PolarHBondContact O-N 3.34Å; L957-Q959 VanDerWaalsContact C-N 3.35Å; L957-Q959 PolarHBondContact O-N 2.95Å; L957-A960 WeakPolarHBondContact O-CB 3.14Å; L957-A960 PolarHBondContact O-N 2.87Å; L957-R961 WeakPolarHBondContact O-CB 3.31Å; L957-R961 PolarHBondContact O-N 3.37Å; L957-V978 HydrophobicContact CB-CB 4.49Å; L957-V978 HydrophobicContact CB-CG1 3.62Å; L957-V978 HydrophobicContact CB-CG2 3.97Å; L957-V978 HydrophobicContact CD1-CG1 4.31Å; L957-M982 HydrophobicContact CD1-CE 4.46Å
958	T	97.1	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-39.2	176.3	-57.9	0	0	0	0	111.2	L919 L927 L954 I955 R961 A962 A970 D974 A975	L919-T958 HydrophobicContact CD1-CG2 3.76Å; L927-T958 HydrophobicContact CD1-CG2 4.41Å; L954-T958 VanDerWaalsContact O-CB 3.24Å; L954-T958 WeakPolarHBondContact O-CB 3.46Å; L954-T958 PolarHBondContact O-N 2.92Å; L954-T958 PolarHBondContact O-OG1 3.09Å; I955-T958 PolarHBondContact O-N 3.3Å; T958-R961 PolarHBondContact O-N 2.66Å; T958-A962 PolarHBondContact O-N 3.37Å; T958-A970 HydrophobicContact CG2-CB 4.11Å; T958-D974 HydrophobicContact CG2-CB 3.92Å; T958-A975 HydrophobicContact CG2-CB 4.17Å
959	Q	95.7	Very high	94.1	Very high	23 Å²	23	30.5 Å²	30.5	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-42.5	170.4	-73.5	-178.3	-13.9	0	0	112.5	T537 P917 I955 R956 L957 R961 A962 R963	T537-Q959 PolarHBondContact OG1-NE2 2.96Å; T537-Q959 VanDerWaalsContact OG1-NE2 3.11Å; T537-Q959 PolarHBondContact OG1-OE1 3.49Å; P917-Q959 HydrophobicContact CG-CB 4.14Å; P917-Q959 WeakPolarHBondContact CG-O 3.46Å; P917-Q959 PolarHBondContact O-NE2 3.29Å; I955-Q959 WeakPolarHBondContact O-CG 3.4Å; I955-Q959 PolarHBondContact O-N 3.15Å; R956-Q959 PolarHBondContact O-N 3.08Å; L957-Q959 VanDerWaalsContact C-N 3.35Å; L957-Q959 PolarHBondContact O-N 2.95Å; Q959-R961 VanDerWaalsContact C-N 3.27Å; Q959-R961 PolarHBondContact O-N 3.29Å; Q959-A962 PolarHBondContact O-N 3.11Å; Q959-R963 WeakPolarHBondContact O-CB 3.4Å; Q959-R963 PolarHBondContact O-N 2.84Å
960	A	96.3	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.3	-37.1	176	0	0	0	0	0	112.2	L531 F534 G535 R956 L957 R963 A964	L531-A960 HydrophobicContact CB-CB 4.21Å; L531-A960 HydrophobicContact CD2-CB 4.04Å; L531-A960 VanDerWaalsContact O-CB 3.31Å; L531-A960 WeakPolarHBondContact O-CB 3.16Å; F534-A960 HydrophobicContact CB-CB 4.37Å; G535-A960 WeakPolarHBondContact O-CA 3.46Å; G535-A960 WeakPolarHBondContact O-CB 3.25Å; R956-A960 WeakPolarHBondContact O-CB 3.47Å; R956-A960 PolarHBondContact O-N 3.1Å; L957-A960 WeakPolarHBondContact O-CB 3.14Å; L957-A960 PolarHBondContact O-N 2.87Å; A960-R963 PolarHBondContact O-N 3.28Å; A960-A964 PolarHBondContact O-N 3.46Å
961	R	96.5	Very high	94.8	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-39.6	178.9	177.9	68	-165	85.3	-0.4	112.1	F508 L531 L957 T958 Q959 E965 D974 D977 V978	F508-R961 VanDerWaalsContact CG-CZ 3.46Å; L531-R961 HydrophobicContact CD2-CB 3.7Å; L957-R961 WeakPolarHBondContact O-CB 3.31Å; L957-R961 PolarHBondContact O-N 3.37Å; T958-R961 PolarHBondContact O-N 2.66Å; Q959-R961 VanDerWaalsContact C-N 3.27Å; Q959-R961 PolarHBondContact O-N 3.29Å; R961-E965 IonicContact CZ-OE1 3.26Å; R961-E965 VanDerWaalsContact CZ-OE1 3.26Å; R961-E965 VanDerWaalsContact NH1-CD 3.26Å; R961-E965 IonicContact NH1-OE1 3.35Å; R961-E965 PolarHBondContact NH1-OE1 3.46Å; R961-E965 IonicContact NH1-OE2 3.19Å; R961-E965 IonicContact NH2-OE1 3.47Å; R961-E965 PolarHBondContact NH2-OE1 3.14Å; R961-D974 HydrophobicContact CB-CB 4.27Å; R961-D974 HydrophobicContact CG-CB 3.86Å; R961-D974 WeakPolarHBondContact CG-OD1 3.47Å; R961-D977 IonicContact CZ-OD2 2.69Å; R961-D977 IonicContact NE-OD2 3.33Å; R961-D977 PolarHBondContact NE-OD2 2.97Å; R961-D977 IonicContact NH2-OD2 2.78Å; R961-D977 PolarHBondContact NH2-OD2 2.85Å; R961-V978 HydrophobicContact CB-CG2 4.19Å
962	A	96.2	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73.7	-40.4	172.7	0	0	0	0	0	112.9	P917 T958 Q959 A964 E965 L966 R967 A970	P917-A962 HydrophobicContact CB-CB 3.93Å; P917-A962 HydrophobicContact CG-CB 4.21Å; T958-A962 PolarHBondContact O-N 3.37Å; Q959-A962 PolarHBondContact O-N 3.11Å; A962-A964 VanDerWaalsContact C-N 3.26Å; A962-A964 PolarHBondContact O-N 3.01Å; A962-E965 PolarHBondContact O-N 3.3Å; A962-E965 VanDerWaalsContact O-N 3.15Å; A962-L966 PolarHBondContact O-N 3.06Å; A962-R967 PolarHBondContact O-N 3.06Å; A962-R967 VanDerWaalsContact O-N 3.13Å; A962-A970 HydrophobicContact CB-CB 3.69Å
963	R	95.4	Very high	95	Very high	11 Å²	11	31 Å²	31	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-59.1	-36.2	175.1	170.6	178.3	-80.8	154.9	-1.1	112.2	F534 G535 G536 S911 V915 P917 Q959 A960 E965 L966	F534-R963 HydrophobicContact CB-CG 4.4Å; F534-R963 HydrophobicContact CD1-CG 4.2Å; F534-R963 WeakPolarHBondContact O-CD 3.3Å; F534-R963 PolarHBondContact O-NH1 3.47Å; G535-R963 PolarHBondContact O-NH1 2.75Å; G536-R963 PolarHBondContact O-NH1 2.98Å; S911-R963 PolarHBondContact O-NE 2.94Å; V915-R963 PolarHBondContact O-NE 2.89Å; V915-R963 PolarHBondContact O-NH2 3.13Å; P917-R963 HydrophobicContact CG-CB 4.12Å; Q959-R963 WeakPolarHBondContact O-CB 3.4Å; Q959-R963 PolarHBondContact O-N 2.84Å; A960-R963 PolarHBondContact O-N 3.28Å; R963-E965 PolarHBondContact O-N 2.89Å; R963-L966 PolarHBondContact O-N 2.89Å
964	A	95.4	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28	178.4	0	0	0	0	0	113.1	F508 L511 F534 Y907 A960 A962	F508-A964 HydrophobicContact CD2-CB 4.16Å; F508-A964 HydrophobicContact CE2-CB 4.47Å; L511-A964 HydrophobicContact CD1-CB 4.16Å; L511-A964 WeakPolarHBondContact CD1-O 3.36Å; F534-A964 HydrophobicContact CD2-CB 3.62Å; F534-A964 HydrophobicContact CE2-CB 3.49Å; F534-A964 VanDerWaalsContact CE2-CB 3.49Å; F534-A964 HydrophobicContact CG-CB 4.24Å; F534-A964 HydrophobicContact CZ-CB 4.02Å; Y907-A964 WeakPolarHBondContact CE1-O 3.48Å; Y907-A964 PolarHBondContact OH-O 3.37Å; A960-A964 PolarHBondContact O-N 3.46Å; A962-A964 VanDerWaalsContact C-N 3.26Å; A962-A964 PolarHBondContact O-N 3.01Å
965	E	95.5	Very high	95.2	Very high	50 Å²	50	30.8 Å²	30.8	23%	0.234	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	18.2	176.2	-66.7	172.5	-169.4	0	0	112.5	L507 R961 A962 R963 R967	L507-E965 HydrophobicContact CB-CG 4.48Å; L507-E965 HydrophobicContact CD2-CB 4.46Å; L507-E965 HydrophobicContact CD2-CG 4.22Å; L507-E965 HydrophobicContact CG-CG 4.43Å; R961-E965 IonicContact CZ-OE1 3.26Å; R961-E965 VanDerWaalsContact CZ-OE1 3.26Å; R961-E965 VanDerWaalsContact NH1-CD 3.26Å; R961-E965 IonicContact NH1-OE1 3.35Å; R961-E965 PolarHBondContact NH1-OE1 3.46Å; R961-E965 IonicContact NH1-OE2 3.19Å; R961-E965 IonicContact NH2-OE1 3.47Å; R961-E965 PolarHBondContact NH2-OE1 3.14Å; A962-E965 PolarHBondContact O-N 3.3Å; A962-E965 VanDerWaalsContact O-N 3.15Å; R963-E965 PolarHBondContact O-N 2.89Å; E965-R967 HydrophobicContact CB-CG 4.32Å; E965-R967 PolarHBondContact O-N 3.4Å; E965-R967 VanDerWaalsContact O-N 3.11Å; E965-R967 IonicContact OE2-CZ 2.74Å; E965-R967 VanDerWaalsContact OE2-CZ 3.24Å; E965-R967 IonicContact OE2-NE 2.73Å; E965-R967 PolarHBondContact OE2-NE 3.22Å; E965-R967 IonicContact OE2-NH2 3.43Å; E965-R967 PolarHBondContact OE2-NH2 3.42Å
966	L	94.5	Very high	95.2	Very high	39 Å²	39	32 Å²	32	20%	0.204	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	20.1	-178.4	-48.2	-176.6	0	0	0	115.6	I498 Y907 Y910 S911 V915 A962 R963	I498-L966 HydrophobicContact CG2-CD1 4.41Å; Y907-L966 HydrophobicContact CE1-CD2 4.43Å; Y907-L966 HydrophobicContact CE2-CD1 4.14Å; Y907-L966 HydrophobicContact CE2-CD2 4.31Å; Y907-L966 HydrophobicContact CE2-CG 4.28Å; Y907-L966 WeakPolarHBondContact OH-CG 3.35Å; Y910-L966 HydrophobicContact CD1-CD1 4.5Å; Y910-L966 HydrophobicContact CD1-CD2 4.32Å; Y910-L966 HydrophobicContact CE1-CD1 4.27Å; S911-L966 VanDerWaalsContact CB-CD2 3.46Å; V915-L966 HydrophobicContact CG2-CB 4.14Å; V915-L966 HydrophobicContact CG2-CD2 3.97Å; A962-L966 PolarHBondContact O-N 3.06Å; R963-L966 PolarHBondContact O-N 2.89Å
967	R	93.3	Very high	95.2	Very high	62 Å²	62	31.5 Å²	31.5	23%	0.234	15%	0.149	C	C	.	.			trans	-78.3	142	-176.5	-69.2	-171.8	-83.1	106.2	-10.6	112.8	V915 A962 E965 E969 D974	V915-R967 WeakPolarHBondContact CG1-O 3.43Å; A962-R967 PolarHBondContact O-N 3.06Å; A962-R967 VanDerWaalsContact O-N 3.13Å; E965-R967 HydrophobicContact CB-CG 4.32Å; E965-R967 PolarHBondContact O-N 3.4Å; E965-R967 VanDerWaalsContact O-N 3.11Å; E965-R967 IonicContact OE2-CZ 2.74Å; E965-R967 VanDerWaalsContact OE2-CZ 3.24Å; E965-R967 IonicContact OE2-NE 2.73Å; E965-R967 PolarHBondContact OE2-NE 3.22Å; E965-R967 IonicContact OE2-NH2 3.43Å; E965-R967 PolarHBondContact OE2-NH2 3.42Å; R967-E969 VanDerWaalsContact C-N 3.32Å; R967-E969 PolarHBondContact NH1-O 2.93Å; R967-E969 VanDerWaalsContact NH1-O 3.08Å; R967-D974 IonicContact CZ-OD1 3.86Å; R967-D974 IonicContact CZ-OD2 3.22Å; R967-D974 IonicContact NH1-OD1 2.68Å; R967-D974 IonicContact NH1-OD2 3.56Å; R967-D974 PolarHBondContact NH1-OD2 2.9Å; R967-D974 IonicContact NH2-OD1 3.81Å; R967-D974 PolarHBondContact NH2-OD1 2.92Å; R967-D974 IonicContact NH2-OD2 3.69Å; R967-D974 PolarHBondContact NH2-OD2 3.31Å
968	E	92.1	Very high	95.1	Very high	126 Å²	126	31.5 Å²	31.5	59%	0.589	15%	0.149	S	C	*	.	S	Bend	trans	-75.7	-17.3	172.8	-66.2	-168.9	148.6	0	0	113.1	P917 Y918	P917-E968 VanDerWaalsContact CA-O 3.25Å; P917-E968 WeakPolarHBondContact CA-O 3.33Å; Y918-E968 WeakPolarHBondContact CD1-O 3.49Å; Y918-E968 VanDerWaalsContact CE1-O 3.29Å; Y918-E968 WeakPolarHBondContact CE1-O 3.27Å; Y918-E968 PolarHBondContact N-O 2.76Å
969	E	94.7	Very high	94.8	Very high	77 Å²	77	32 Å²	32	36%	0.36	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.5	-177.7	-175.6	160.2	-174.4	0	0	111.8	Y918 S920 R967	Y918-E969 HydrophobicContact CD2-CB 4.48Å; Y918-E969 HydrophobicContact CD2-CG 4.1Å; Y918-E969 HydrophobicContact CE1-CB 4.21Å; Y918-E969 HydrophobicContact CE2-CB 3.88Å; Y918-E969 HydrophobicContact CE2-CG 3.51Å; Y918-E969 WeakPolarHBondContact CE2-OE2 3.42Å; Y918-E969 VanDerWaalsContact CZ-OE2 3.26Å; Y918-E969 PolarHBondContact OH-OE2 3.21Å; S920-E969 WeakPolarHBondContact CB-OE1 3.49Å; R967-E969 VanDerWaalsContact C-N 3.32Å; R967-E969 PolarHBondContact NH1-O 2.93Å; R967-E969 VanDerWaalsContact NH1-O 3.08Å
970	A	95.9	Very high	94.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.7	173.2	0	0	0	0	0	110.4	Y918 L919 S920 T958 A962	Y918-A970 PolarHBondContact O-N 3.01Å; L919-A970 HydrophobicContact CD1-CB 4.3Å; S920-A970 WeakPolarHBondContact CB-O 3.48Å; S920-A970 PolarHBondContact N-O 3.11Å; S920-A970 PolarHBondContact OG-O 3.29Å; T958-A970 HydrophobicContact CG2-CB 4.11Å; A962-A970 HydrophobicContact CB-CB 3.69Å
971	T	96.1	Very high	94.2	Very high	52 Å²	52	32.6 Å²	32.6	32%	0.319	16%	0.155	S	C	.	.			trans	-86.2	171.3	-169.6	69.3	0	0	0	0	112.5	A923 Q973 D974 A975	A923-T971 WeakPolarHBondContact CB-O 3.41Å; T971-Q973 PolarHBondContact O-N 2.88Å; T971-Q973 PolarHBondContact OG1-N 3.32Å; T971-D974 WeakPolarHBondContact CB-OD2 3.48Å; T971-D974 PolarHBondContact N-OD2 3.32Å; T971-D974 WeakPolarHBondContact O-CB 3.35Å; T971-D974 PolarHBondContact O-N 3.4Å; T971-D974 PolarHBondContact OG1-N 3.11Å; T971-D974 PolarHBondContact OG1-OD2 3.31Å; T971-A975 PolarHBondContact O-N 2.93Å
972	K	95.7	Very high	93.8	Very high	100 Å²	100	32.5 Å²	32.5	44%	0.435	16%	0.155	S	C	.	.	H	α-helix	trans	-55.1	-38.1	170.8	-172.3	178.6	-179.9	-175.8	0	113.1	E922 D974 A975 L976	E922-K972 HydrophobicContact CB-CB 4.07Å; E922-K972 HydrophobicContact CB-CD 4.5Å; K972-D974 VanDerWaalsContact C-N 3.33Å; K972-D974 PolarHBondContact O-N 3.27Å; K972-A975 WeakPolarHBondContact O-CB 3.35Å; K972-A975 PolarHBondContact O-N 3.1Å; K972-L976 HydrophobicContact CG-CD1 4.45Å; K972-L976 WeakPolarHBondContact O-CG 3.44Å; K972-L976 PolarHBondContact O-N 2.61Å; K972-L976 VanDerWaalsContact O-N 3.07Å
973	Q	93.2	Very high	93.2	Very high	42 Å²	42	37.1 Å²	37.1	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-35	179.9	-171.1	59.9	45.5	0	0	112.1	F878 T971 A975 L976 D977	F878-Q973 HydrophobicContact CE1-CG 4.3Å; F878-Q973 HydrophobicContact CZ-CG 4.4Å; T971-Q973 PolarHBondContact O-N 2.88Å; T971-Q973 PolarHBondContact OG1-N 3.32Å; Q973-A975 VanDerWaalsContact C-N 3.27Å; Q973-A975 PolarHBondContact O-N 3.49Å; Q973-L976 PolarHBondContact O-N 2.89Å; Q973-D977 PolarHBondContact NE2-OD1 3.26Å; Q973-D977 WeakPolarHBondContact O-CB 3.17Å; Q973-D977 PolarHBondContact O-N 2.93Å
974	D	95.7	Very high	92.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-63.1	-36.9	175.4	-59	-62.6	0	0	0	111.8	T958 R961 R967 T971 K972 V978	T958-D974 HydrophobicContact CG2-CB 3.92Å; R961-D974 HydrophobicContact CB-CB 4.27Å; R961-D974 HydrophobicContact CG-CB 3.86Å; R961-D974 WeakPolarHBondContact CG-OD1 3.47Å; R967-D974 IonicContact CZ-OD1 3.86Å; R967-D974 IonicContact CZ-OD2 3.22Å; R967-D974 IonicContact NH1-OD1 2.68Å; R967-D974 IonicContact NH1-OD2 3.56Å; R967-D974 PolarHBondContact NH1-OD2 2.9Å; R967-D974 IonicContact NH2-OD1 3.81Å; R967-D974 PolarHBondContact NH2-OD1 2.92Å; R967-D974 IonicContact NH2-OD2 3.69Å; R967-D974 PolarHBondContact NH2-OD2 3.31Å; T971-D974 WeakPolarHBondContact CB-OD2 3.48Å; T971-D974 PolarHBondContact N-OD2 3.32Å; T971-D974 WeakPolarHBondContact O-CB 3.35Å; T971-D974 PolarHBondContact O-N 3.4Å; T971-D974 PolarHBondContact OG1-N 3.11Å; T971-D974 PolarHBondContact OG1-OD2 3.31Å; K972-D974 VanDerWaalsContact C-N 3.33Å; K972-D974 PolarHBondContact O-N 3.27Å; D974-V978 WeakPolarHBondContact O-CB 3.31Å; D974-V978 VanDerWaalsContact O-CG2 3.27Å; D974-V978 WeakPolarHBondContact O-CG2 3.42Å; D974-V978 PolarHBondContact O-N 2.74Å
975	A	95.9	Very high	91.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-42.4	174.4	0	0	0	0	0	111.6	A923 T926 L927 T958 T971 K972 Q973 V978 C979	A923-A975 HydrophobicContact CB-CB 4.08Å; T926-A975 HydrophobicContact CG2-CB 4.19Å; L927-A975 HydrophobicContact CD2-CB 3.7Å; L927-A975 HydrophobicContact CG-CB 3.9Å; T958-A975 HydrophobicContact CG2-CB 4.17Å; T971-A975 PolarHBondContact O-N 2.93Å; K972-A975 WeakPolarHBondContact O-CB 3.35Å; K972-A975 PolarHBondContact O-N 3.1Å; Q973-A975 VanDerWaalsContact C-N 3.27Å; Q973-A975 PolarHBondContact O-N 3.49Å; A975-V978 PolarHBondContact O-N 3.49Å; A975-C979 WeakPolarHBondContact O-CB 3.39Å; A975-C979 PolarHBondContact O-N 2.94Å; A975-C979 PolarHBondContact O-SG 3.11Å
976	L	94.3	Very high	89.6	Confident	73 Å²	73	37.1 Å²	37.1	38%	0.382	19%	0.189	S	C	.	.	H	α-helix	trans	-64.8	-47.8	177.6	-67.4	173	0	0	0	112.3	T926 K972 Q973 V978 C979 E980	T926-L976 HydrophobicContact CG2-CD2 3.78Å; T926-L976 HydrophobicContact CG2-CG 4.27Å; K972-L976 HydrophobicContact CG-CD1 4.45Å; K972-L976 WeakPolarHBondContact O-CG 3.44Å; K972-L976 PolarHBondContact O-N 2.61Å; K972-L976 VanDerWaalsContact O-N 3.07Å; Q973-L976 PolarHBondContact O-N 2.89Å; L976-V978 PolarHBondContact O-N 3.18Å; L976-C979 PolarHBondContact O-N 2.89Å; L976-C979 VanDerWaalsContact O-N 3.14Å; L976-E980 PolarHBondContact O-N 2.81Å
977	D	93.6	Very high	87.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-52.4	-38.9	173.2	-80.3	18.6	0	0	0	110.9	L884 R887 R961 Q973 L981	L884-D977 HydrophobicContact CD2-CB 4.13Å; L884-D977 VanDerWaalsContact CD2-O 3.26Å; L884-D977 WeakPolarHBondContact CD2-O 3.48Å; R887-D977 IonicContact CZ-OD1 3.72Å; R887-D977 IonicContact CZ-OD2 3.77Å; R887-D977 IonicContact NH1-OD1 2.72Å; R887-D977 PolarHBondContact NH1-OD1 3.04Å; R887-D977 IonicContact NH1-OD2 3.58Å; R887-D977 IonicContact NH2-OD1 3.63Å; R887-D977 PolarHBondContact NH2-OD1 2.93Å; R887-D977 IonicContact NH2-OD2 2.74Å; R887-D977 PolarHBondContact NH2-OD2 2.74Å; R961-D977 IonicContact CZ-OD2 2.69Å; R961-D977 IonicContact NE-OD2 3.33Å; R961-D977 PolarHBondContact NE-OD2 2.97Å; R961-D977 IonicContact NH2-OD2 2.78Å; R961-D977 PolarHBondContact NH2-OD2 2.85Å; Q973-D977 PolarHBondContact NE2-OD1 3.26Å; Q973-D977 WeakPolarHBondContact O-CB 3.17Å; Q973-D977 PolarHBondContact O-N 2.93Å; D977-L981 WeakPolarHBondContact O-CB 3.41Å; D977-L981 PolarHBondContact O-N 2.84Å
978	V	94.2	Very high	85.4	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-81.4	-30.5	-179.6	166	0	0	0	0	113.4	L531 L954 L957 R961 D974 A975 L976 L981 M982	L531-V978 HydrophobicContact CD1-CG2 4.43Å; L954-V978 HydrophobicContact CD2-CG1 3.8Å; L957-V978 HydrophobicContact CB-CB 4.49Å; L957-V978 HydrophobicContact CB-CG1 3.62Å; L957-V978 HydrophobicContact CB-CG2 3.97Å; L957-V978 HydrophobicContact CD1-CG1 4.31Å; R961-V978 HydrophobicContact CB-CG2 4.19Å; D974-V978 WeakPolarHBondContact O-CB 3.31Å; D974-V978 VanDerWaalsContact O-CG2 3.27Å; D974-V978 WeakPolarHBondContact O-CG2 3.42Å; D974-V978 PolarHBondContact O-N 2.74Å; A975-V978 PolarHBondContact O-N 3.49Å; L976-V978 PolarHBondContact O-N 3.18Å; V978-L981 PolarHBondContact O-N 2.84Å; V978-M982 WeakPolarHBondContact O-CB 3.43Å; V978-M982 PolarHBondContact O-N 2.91Å
979	C	91.6	Very high	83.2	Confident	9 Å²	9	30 Å²	30	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-45.4	172.7	-75.3	0	0	0	0	111.6	F930 A975 L976 L981 M982 Q983	F930-C979 HydrophobicContact CD1-CB 4.2Å; F930-C979 WeakPolarHBondContact CD1-SG 3.26Å; F930-C979 HydrophobicContact CD2-CB 4.18Å; F930-C979 HydrophobicContact CE1-CB 4.18Å; F930-C979 HydrophobicContact CE2-CB 4.17Å; F930-C979 HydrophobicContact CG-CB 4.18Å; F930-C979 WeakPolarHBondContact CG-SG 3.41Å; F930-C979 HydrophobicContact CZ-CB 4.16Å; A975-C979 WeakPolarHBondContact O-CB 3.39Å; A975-C979 PolarHBondContact O-N 2.94Å; A975-C979 PolarHBondContact O-SG 3.11Å; L976-C979 PolarHBondContact O-N 2.89Å; L976-C979 VanDerWaalsContact O-N 3.14Å; C979-L981 VanDerWaalsContact C-N 3.34Å; C979-M982 PolarHBondContact O-N 3.46Å; C979-Q983 WeakPolarHBondContact O-CG 3.46Å; C979-Q983 PolarHBondContact O-N 3.46Å
980	E	88.9	Confident	80.5	Confident	36 Å²	36	27.5 Å²	27.5	17%	0.168	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-43.3	173.4	-176.7	-177.4	157	0	0	111.1	P883 L884 S885 L976 M982 Q983 S984	P883-E980 WeakPolarHBondContact CA-OE2 3.49Å; P883-E980 WeakPolarHBondContact CB-OE1 3.43Å; P883-E980 WeakPolarHBondContact CB-OE2 3.5Å; L884-E980 WeakPolarHBondContact CB-OE2 3.29Å; L884-E980 VanDerWaalsContact N-CD 3.29Å; L884-E980 PolarHBondContact N-OE1 3.29Å; L884-E980 VanDerWaalsContact N-OE1 3.17Å; L884-E980 PolarHBondContact N-OE2 2.93Å; S885-E980 VanDerWaalsContact CB-OE1 3.28Å; S885-E980 WeakPolarHBondContact CB-OE1 3.26Å; S885-E980 PolarHBondContact N-OE1 3.3Å; S885-E980 PolarHBondContact OG-OE1 3.04Å; L976-E980 PolarHBondContact O-N 2.81Å; E980-M982 VanDerWaalsContact C-N 3.3Å; E980-M982 PolarHBondContact O-N 3.42Å; E980-Q983 WeakPolarHBondContact O-CB 3.49Å; E980-Q983 PolarHBondContact O-N 3.24Å; E980-Q983 VanDerWaalsContact O-N 3.16Å; E980-S984 PolarHBondContact O-N 3.27Å
981	L	90	Very high	77.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-42.3	175.8	-171.6	66.8	0	0	0	111.7	L524 L531 L812 F814 D977 V978 C979 S984	L524-L981 HydrophobicContact CB-CD1 4.09Å; L524-L981 HydrophobicContact CD2-CD1 4.14Å; L524-L981 WeakPolarHBondContact O-CD1 3.33Å; L531-L981 HydrophobicContact CD1-CD2 3.55Å; L812-L981 HydrophobicContact CD1-CD2 3.95Å; L812-L981 HydrophobicContact CD1-CG 4.46Å; L812-L981 HydrophobicContact CD2-CG 4.36Å; F814-L981 HydrophobicContact CE1-CD1 4.02Å; F814-L981 HydrophobicContact CZ-CD1 3.92Å; F814-L981 HydrophobicContact CZ-CG 4.42Å; D977-L981 WeakPolarHBondContact O-CB 3.41Å; D977-L981 PolarHBondContact O-N 2.84Å; V978-L981 PolarHBondContact O-N 2.84Å; C979-L981 VanDerWaalsContact C-N 3.34Å; L981-S984 PolarHBondContact O-N 3.2Å; L981-S984 PolarHBondContact O-OG 2.98Å
982	M	87.5	Confident	74.3	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-43.6	174.9	-175.3	63.5	66.2	0	0	111.8	D811 L812 F930 L954 L957 V978 C979 E980 S984 T985 G988	D811-M982 WeakPolarHBondContact O-CE 3.48Å; L812-M982 HydrophobicContact CD2-CE 4.21Å; F930-M982 HydrophobicContact CE1-CB 4.18Å; F930-M982 HydrophobicContact CE1-CG 4.11Å; F930-M982 HydrophobicContact CZ-CB 4.23Å; F930-M982 HydrophobicContact CZ-CG 4.26Å; L954-M982 HydrophobicContact CD2-CB 4.02Å; L954-M982 HydrophobicContact CD2-CE 3.98Å; L954-M982 HydrophobicContact CD2-CG 4.24Å; L954-M982 HydrophobicContact CG-CE 4.27Å; L957-M982 HydrophobicContact CD1-CE 4.46Å; V978-M982 WeakPolarHBondContact O-CB 3.43Å; V978-M982 PolarHBondContact O-N 2.91Å; C979-M982 PolarHBondContact O-N 3.46Å; E980-M982 VanDerWaalsContact C-N 3.3Å; E980-M982 PolarHBondContact O-N 3.42Å; M982-S984 PolarHBondContact O-N 2.94Å; M982-T985 WeakPolarHBondContact O-CB 3.14Å; M982-T985 PolarHBondContact O-N 3.27Å; M982-T985 PolarHBondContact O-OG1 2.97Å; M982-G988 WeakPolarHBondContact O-CA 3.36Å
983	Q	82.9	Confident	71.1	Confident	97 Å²	97	34.3 Å²	34.3	45%	0.453	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-34.2	175.1	-74.3	173	-26.2	0	0	112.6	F930 C979 E980 T985	F930-Q983 HydrophobicContact CE2-CG 3.85Å; F930-Q983 HydrophobicContact CZ-CG 3.98Å; C979-Q983 WeakPolarHBondContact O-CG 3.46Å; C979-Q983 PolarHBondContact O-N 3.46Å; E980-Q983 WeakPolarHBondContact O-CB 3.49Å; E980-Q983 PolarHBondContact O-N 3.24Å; E980-Q983 VanDerWaalsContact O-N 3.16Å; Q983-T985 PolarHBondContact O-N 2.64Å
984	S	75.3	Confident	68.2	Low	21 Å²	21	35.1 Å²	35.1	15%	0.147	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.8	175.7	79.7	0	0	0	0	114.9	E980 L981 M982 A997	E980-S984 PolarHBondContact O-N 3.27Å; L981-S984 PolarHBondContact O-N 3.2Å; L981-S984 PolarHBondContact O-OG 2.98Å; M982-S984 PolarHBondContact O-N 2.94Å; S984-A997 WeakPolarHBondContact O-CB 3.36Å
985	T	76.6	Confident	65.1	Low	4 Å²	4	39.8 Å²	39.8	3%	0.025	25%	0.251	C	S	.	.	S	Bend	trans	-88.7	159.3	175.5	70.6	0	0	0	0	112.1	L812 I813 F814 M982 Q983 L987 G988	L812-T985 HydrophobicContact CB-CG2 4.12Å; L812-T985 HydrophobicContact CD2-CG2 3.65Å; I813-T985 WeakPolarHBondContact O-CA 3.43Å; I813-T985 VanDerWaalsContact O-CB 3.25Å; I813-T985 WeakPolarHBondContact O-CB 3.37Å; F814-T985 HydrophobicContact CD1-CG2 4.29Å; F814-T985 HydrophobicContact CE1-CG2 4.1Å; M982-T985 WeakPolarHBondContact O-CB 3.14Å; M982-T985 PolarHBondContact O-N 3.27Å; M982-T985 PolarHBondContact O-OG1 2.97Å; Q983-T985 PolarHBondContact O-N 2.64Å; T985-L987 PolarHBondContact O-N 3.12Å; T985-L987 PolarHBondContact OG1-N 3.03Å; T985-G988 PolarHBondContact O-N 2.91Å; T985-G988 VanDerWaalsContact O-N 3.1Å
986	G	59	Low	62.2	Low	36 Å²	36	40.8 Å²	40.8	37%	0.371	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	6.7	171.4	0	0	0	0	0	115.3	I813	I813-G986 PolarHBondContact O-N 2.73Å; I813-G986 VanDerWaalsContact O-N 3.09Å
987	L	56.2	Low	59.5	Low	13 Å²	13	38.1 Å²	38.1	7%	0.068	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-19	175.3	-63.8	173.4	0	0	0	113.4	I813 F944 T985	I813-L987 HydrophobicContact CD1-CD1 4.04Å; I813-L987 HydrophobicContact CD1-CD2 4.14Å; I813-L987 HydrophobicContact CD1-CG 4.16Å; I813-L987 HydrophobicContact CG1-CD1 4.03Å; I813-L987 HydrophobicContact CG1-CG 4.4Å; F944-L987 HydrophobicContact CB-CD2 3.87Å; F944-L987 HydrophobicContact CD1-CD2 3.87Å; F944-L987 HydrophobicContact CG-CD2 3.82Å; T985-L987 PolarHBondContact O-N 3.12Å; T985-L987 PolarHBondContact OG1-N 3.03Å
988	G	44.2	Very low	56.7	Low	11 Å²	11	41.7 Å²	41.7	11%	0.113	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-20.8	-168.4	0	0	0	0	0	115.6	L934 M982 T985	L934-G988 WeakPolarHBondContact CD2-O 3.47Å; M982-G988 WeakPolarHBondContact O-CA 3.36Å; T985-G988 PolarHBondContact O-N 2.91Å; T985-G988 VanDerWaalsContact O-N 3.1Å
989	S	45.2	Very low	53.8	Low	53 Å²	53	43.7 Å²	43.7	37%	0.371	28%	0.277	S	S	.	.			trans	-101.4	124.8	176.7	-173.6	0	0	0	0	111.1	F991	S989-F991 PolarHBondContact O-N 3.33Å; S989-F991 VanDerWaalsContact O-N 3.11Å
990	G	37.5	Very low	51	Low	26 Å²	26	45.5 Å²	45.5	27%	0.268	29%	0.29	S	S	.	.	S	Bend	trans	-73.6	11.1	175.6	0	0	0	0	0	114.9
991	F	34	Very low	48.4	Very low	167 Å²	167	44.7 Å²	44.7	73%	0.732	29%	0.286	S	S	*	.			trans	-108	109.1	179.8	-85.2	-91.4	0	0	0	111.4	S989	S989-F991 PolarHBondContact O-N 3.33Å; S989-F991 VanDerWaalsContact O-N 3.11Å
992	I	29.7	Very low	45.6	Very low	57 Å²	57	48.5 Å²	48.5	29%	0.292	31%	0.314	S	S	.	.			trans	-74.1	149.6	153.6	-69.9	-134.4	0	0	0	108.8	R795 D942	R795-I992 HydrophobicContact CB-CD1 4.34Å; R795-I992 HydrophobicContact CG-CD1 4.01Å; D942-I992 HydrophobicContact CB-CB 4.25Å; D942-I992 HydrophobicContact CB-CD1 3.83Å; D942-I992 HydrophobicContact CB-CG1 3.74Å
993	A	27.3	Very low	43.1	Very low	71 Å²	71	54 Å²	54	59%	0.587	34%	0.339	S	S	*	.	S	Bend	trans	65.8	86.1	-177.1	0	0	0	0	0	116.7	I792	I792-A993 HydrophobicContact CG2-CB 4.39Å
994	G	31.9	Very low	40.7	Very low	58 Å²	58	51.5 Å²	51.5	60%	0.598	33%	0.328	S	S	*	.	S	Bend	trans	135.7	5.6	136.9	0	0	0	0	0	120.5
995	T	32.2	Very low	38.5	Very low	99 Å²	99	54.4 Å²	54.4	61%	0.607	34%	0.342	S	S	*	.			trans	-125.9	114.3	175.6	36.9	0	0	0	0	112.3
996	P	33.9	Very low	36.4	Very low	22 Å²	22	60.1 Å²	60.1	14%	0.143	37%	0.372	C	S	.	.			trans	-76.2	161.1	174.9	-9.2	22.2	0	0	0	113.6	L817 H819 N998	L817-P996 HydrophobicContact CD1-CB 4.14Å; L817-P996 HydrophobicContact CD1-CG 4.1Å; H819-P996 WeakPolarHBondContact NE2-CG 3.45Å; P996-N998 PolarHBondContact O-N 3.11Å
997	A	36.9	Very low	35.1	Very low	17 Å²	17	62 Å²	62	14%	0.14	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	15.4	174.9	0	0	0	0	0	115.9	S984	S984-A997 WeakPolarHBondContact O-CB 3.36Å
998	N	34.9	Very low	33.9	Very low	76 Å²	76	65.4 Å²	65.4	41%	0.406	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.1	14	-171.7	-59.8	-58.5	0	0	0	113.7	P996	P996-N998 PolarHBondContact O-N 3.11Å
999	V	34.5	Very low	33.3	Very low	42 Å²	42	69 Å²	69	26%	0.255	41%	0.411	S	S	.	.			trans	-75.2	127.1	179.5	173.8	0	0	0	0	110.4	E1003	V999-E1003 HydrophobicContact CG1-CB 3.5Å; V999-E1003 VanDerWaalsContact CG1-CB 3.5Å; V999-E1003 HydrophobicContact CG1-CG 4.44Å; V999-E1003 WeakPolarHBondContact CG1-OE2 3.4Å
1000	S	32.7	Very low	32.5	Very low	47 Å²	47	69.3 Å²	69.3	33%	0.329	41%	0.41	S	S	.	.			trans	-77.4	163.3	-173.7	57.1	0	0	0	0	113.3	S1002 E1003 M1004	S1000-S1002 PolarHBondContact O-N 2.7Å; S1000-S1002 VanDerWaalsContact O-N 3.13Å; S1000-S1002 PolarHBondContact OG-OG 3.39Å; S1000-E1003 PolarHBondContact O-N 2.96Å; S1000-M1004 PolarHBondContact O-N 3.13Å
1001	L	33.8	Very low	32.1	Very low	19 Å²	19	72.6 Å²	72.6	10%	0.099	43%	0.426	C	S	.	.	H	α-helix	trans	-68.9	-17.5	-166.1	-132	99.5	0	0	0	115.5	P883 S885 Q886 E1003 M1004 N1005	P883-L1001 HydrophobicContact CB-CD1 3.62Å; P883-L1001 HydrophobicContact CG-CD1 3.58Å; P883-L1001 HydrophobicContact CG-CD2 3.9Å; P883-L1001 HydrophobicContact CG-CG 4.28Å; S885-L1001 WeakPolarHBondContact OG-CD1 3.38Å; Q886-L1001 HydrophobicContact CB-CB 4.33Å; Q886-L1001 HydrophobicContact CB-CD1 3.91Å; L1001-E1003 VanDerWaalsContact C-N 3.29Å; L1001-M1004 HydrophobicContact CD1-CE 3.65Å; L1001-M1004 HydrophobicContact CG-CB 4.41Å; L1001-M1004 HydrophobicContact CG-CE 4.38Å; L1001-N1005 WeakPolarHBondContact O-CB 3.39Å; L1001-N1005 PolarHBondContact O-N 3.45Å; L1001-N1005 PolarHBondContact O-ND2 3.34Å
1002	S	32.5	Very low	31.8	Very low	82 Å²	82	73 Å²	73	57%	0.573	43%	0.428	S	S	*	.	H	α-helix	trans	-64	-34.2	171.4	41.9	0	0	0	0	112.1	S1000 N1006	S1000-S1002 PolarHBondContact O-N 2.7Å; S1000-S1002 VanDerWaalsContact O-N 3.13Å; S1000-S1002 PolarHBondContact OG-OG 3.39Å; S1002-N1006 PolarHBondContact O-ND2 3.41Å
1003	E	34	Very low	31.7	Very low	115 Å²	115	75.9 Å²	75.9	54%	0.537	45%	0.452	S	S	.	.	H	α-helix	trans	-87.7	-35.3	175.4	-68.5	-167.9	168.9	0	0	112.1	V999 S1000 L1001 N1005 N1006 V1007	V999-E1003 HydrophobicContact CG1-CB 3.5Å; V999-E1003 VanDerWaalsContact CG1-CB 3.5Å; V999-E1003 HydrophobicContact CG1-CG 4.44Å; V999-E1003 WeakPolarHBondContact CG1-OE2 3.4Å; S1000-E1003 PolarHBondContact O-N 2.96Å; L1001-E1003 VanDerWaalsContact C-N 3.29Å; E1003-N1005 PolarHBondContact O-N 2.88Å; E1003-N1006 WeakPolarHBondContact O-CA 3.49Å; E1003-N1006 WeakPolarHBondContact O-CB 3.25Å; E1003-N1006 PolarHBondContact O-N 3.35Å; E1003-V1007 PolarHBondContact O-N 3.1Å
1004	M	32	Very low	31.8	Very low	45 Å²	45	77.8 Å²	77.8	22%	0.222	45%	0.448	C	S	.	.	H	α-helix	trans	-61.3	-30.5	169	-89.6	-166.8	-78.5	0	0	112.7	S885 S1000 L1001 N1006 V1007 L1008	S885-M1004 WeakPolarHBondContact OG-CE 3.43Å; S1000-M1004 PolarHBondContact O-N 3.13Å; L1001-M1004 HydrophobicContact CD1-CE 3.65Å; L1001-M1004 HydrophobicContact CG-CB 4.41Å; L1001-M1004 HydrophobicContact CG-CE 4.38Å; M1004-N1006 PolarHBondContact O-N 3.33Å; M1004-V1007 CarbonylContact O-C 3.55Å; M1004-V1007 PolarHBondContact O-N 3.38Å; M1004-L1008 HydrophobicContact CB-CD1 4.12Å; M1004-L1008 HydrophobicContact CB-CG 4.39Å; M1004-L1008 WeakPolarHBondContact O-CB 3.43Å; M1004-L1008 PolarHBondContact O-N 2.9Å; M1004-L1008 HydrophobicContact SD-CD1 4.21Å
1005	N	30.4	Very low	31.7	Very low	82 Å²	82	87.4 Å²	87.4	44%	0.439	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.1	170.7	-91.8	-61.8	0	0	0	114	L1001 E1003 N1009	L1001-N1005 WeakPolarHBondContact O-CB 3.39Å; L1001-N1005 PolarHBondContact O-N 3.45Å; L1001-N1005 PolarHBondContact O-ND2 3.34Å; E1003-N1005 PolarHBondContact O-N 2.88Å; N1005-N1009 WeakPolarHBondContact O-CB 3.47Å; N1005-N1009 PolarHBondContact O-ND2 3.1Å; N1005-N1009 PolarHBondContact OD1-ND2 3.23Å
1006	N	30.9	Very low	31.6	Very low	124 Å²	124	88.1 Å²	88.1	66%	0.663	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-3.8	168.5	-67.6	-51.3	0	0	0	113.4	S1002 E1003 M1004 T1010	S1002-N1006 PolarHBondContact O-ND2 3.41Å; E1003-N1006 WeakPolarHBondContact O-CA 3.49Å; E1003-N1006 WeakPolarHBondContact O-CB 3.25Å; E1003-N1006 PolarHBondContact O-N 3.35Å; M1004-N1006 PolarHBondContact O-N 3.33Å; N1006-T1010 WeakPolarHBondContact O-CG2 3.37Å
1007	V	32.6	Very low	31.4	Very low	75 Å²	75	92.9 Å²	92.9	46%	0.455	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-50	-177.8	178.6	0	0	0	0	112	E1003 M1004 N1009 T1010 T1011	E1003-V1007 PolarHBondContact O-N 3.1Å; M1004-V1007 CarbonylContact O-C 3.55Å; M1004-V1007 PolarHBondContact O-N 3.38Å; V1007-N1009 VanDerWaalsContact C-N 3.32Å; V1007-N1009 PolarHBondContact O-N 3.13Å; V1007-T1010 WeakPolarHBondContact O-CA 3.48Å; V1007-T1010 WeakPolarHBondContact O-CB 3.42Å; V1007-T1010 PolarHBondContact O-N 2.99Å; V1007-T1010 PolarHBondContact O-OG1 3.1Å; V1007-T1011 PolarHBondContact O-N 3.41Å
1008	L	30.2	Very low	31.6	Very low	85 Å²	85	94.6 Å²	94.6	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-33.7	176.6	-64.8	174.6	0	0	0	112.1	M1004 T1010 T1011	M1004-L1008 HydrophobicContact CB-CD1 4.12Å; M1004-L1008 HydrophobicContact CB-CG 4.39Å; M1004-L1008 WeakPolarHBondContact O-CB 3.43Å; M1004-L1008 PolarHBondContact O-N 2.9Å; M1004-L1008 HydrophobicContact SD-CD1 4.21Å; L1008-T1010 PolarHBondContact O-N 3.29Å; L1008-T1011 PolarHBondContact O-N 3.12Å; L1008-T1011 PolarHBondContact O-OG1 3.11Å
1009	N	31.5	Very low	32.2	Very low	87 Å²	87	95.3 Å²	95.3	47%	0.465	51%	0.511	S	S	.	.	H	α-helix	trans	-70.3	7.9	168.5	-74.9	-55.3	0	0	0	114.1	N1005 V1007 K1014	N1005-N1009 WeakPolarHBondContact O-CB 3.47Å; N1005-N1009 PolarHBondContact O-ND2 3.1Å; N1005-N1009 PolarHBondContact OD1-ND2 3.23Å; V1007-N1009 VanDerWaalsContact C-N 3.32Å; V1007-N1009 PolarHBondContact O-N 3.13Å; N1009-K1014 WeakPolarHBondContact O-CD 3.43Å; N1009-K1014 PolarHBondContact O-NZ 3.42Å
1010	T	29.7	Very low	33.2	Very low	59 Å²	59	94.3 Å²	94.3	36%	0.362	51%	0.506	S	S	.	.	H	α-helix	trans	-115.1	-18.8	171.7	75.2	0	0	0	0	113.8	N1006 V1007 L1008	N1006-T1010 WeakPolarHBondContact O-CG2 3.37Å; V1007-T1010 WeakPolarHBondContact O-CA 3.48Å; V1007-T1010 WeakPolarHBondContact O-CB 3.42Å; V1007-T1010 PolarHBondContact O-N 2.99Å; V1007-T1010 PolarHBondContact O-OG1 3.1Å; L1008-T1010 PolarHBondContact O-N 3.29Å
1011	T	27.8	Very low	34.4	Very low	96 Å²	96	95.3 Å²	95.3	59%	0.589	51%	0.51	S	S	*	.	H	α-helix	trans	-91.3	-27.5	-172.3	50.1	0	0	0	0	115.6	V1007 L1008	V1007-T1011 PolarHBondContact O-N 3.41Å; L1008-T1011 PolarHBondContact O-N 3.12Å; L1008-T1011 PolarHBondContact O-OG1 3.11Å
1012	F	29.4	Very low	36	Very low	176 Å²	176	95 Å²	95	77%	0.772	51%	0.512	S	S	*	.	S	Bend	trans	-115.1	0.2	-175.8	-124.1	-89.9	0	0	0	116.3
1013	S	26.8	Very low	37.6	Very low	116 Å²	116	95.8 Å²	95.8	81%	0.811	52%	0.515	S	S	*	.	S	Bend	trans	-151	12.1	-178.7	-70.5	0	0	0	0	115.9
1014	K	29.1	Very low	39	Very low	112 Å²	112	92.4 Å²	92.4	49%	0.487	51%	0.511	S	S	.	.			trans	-134.5	96.7	-176.9	-86.7	-178.1	-168.1	144.5	0	114.1	N1009 I1016	N1009-K1014 WeakPolarHBondContact O-CD 3.43Å; N1009-K1014 PolarHBondContact O-NZ 3.42Å; K1014-I1016 WeakPolarHBondContact CB-O 3.42Å; K1014-I1016 WeakPolarHBondContact CD-O 3.5Å; K1014-I1016 WeakPolarHBondContact CG-O 3.42Å; K1014-I1016 PolarHBondContact O-N 3.45Å
1015	R	29.3	Very low	41	Very low	259 Å²	259	90.3 Å²	90.3	98%	0.977	50%	0.501	S	S	*	.	S	Bend	trans	-71.9	10.7	153.6	-75.3	-175.6	171.7	-178.7	-2.4	112.9
1016	I	30.4	Very low	43.4	Very low	114 Å²	114	86.9 Å²	86.9	59%	0.585	48%	0.484	S	S	*	.	S	Bend	trans	-143.7	133.4	-168.1	-53.8	178.3	0	0	0	108.6	K1014	K1014-I1016 WeakPolarHBondContact CB-O 3.42Å; K1014-I1016 WeakPolarHBondContact CD-O 3.5Å; K1014-I1016 WeakPolarHBondContact CG-O 3.42Å; K1014-I1016 PolarHBondContact O-N 3.45Å
1017	N	29.8	Very low	45.6	Very low	122 Å²	122	88.8 Å²	88.8	65%	0.652	49%	0.486	S	S	*	.			trans	75.2	78	-178.4	-56.9	-14.6	0	0	0	116.7
1018	S	42.2	Very low	47.8	Very low	54 Å²	54	89.7 Å²	89.7	38%	0.378	48%	0.481	S	S	.	.			trans	-64.2	150.1	152.2	65.9	0	0	0	0	111.2	S1020 R1028	S1018-S1020 PolarHBondContact O-N 3.13Å; S1018-S1020 VanDerWaalsContact O-N 3.12Å; S1018-R1028 PolarHBondContact OG-NH1 2.88Å; S1018-R1028 PolarHBondContact OG-NH2 2.85Å
1019	S	47.3	Very low	50.5	Low	90 Å²	90	85.6 Å²	85.6	63%	0.629	46%	0.46	S	S	*	.			trans	-60.4	114.5	178.6	52	0	0	0	0	112.4	T1021	S1019-T1021 VanDerWaalsContact C-N 3.27Å; S1019-T1021 PolarHBondContact O-N 3.19Å
1020	S	55.8	Low	53.2	Low	21 Å²	21	83.2 Å²	83.2	15%	0.147	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-2.3	-169.8	50.8	0	0	0	0	115.1	S1018 C1063 L1067	S1018-S1020 PolarHBondContact O-N 3.13Å; S1018-S1020 VanDerWaalsContact O-N 3.12Å; S1020-C1063 VanDerWaalsContact O-CB 3.29Å; S1020-C1063 WeakPolarHBondContact O-CB 3.4Å; S1020-C1063 PolarHBondContact OG-SG 2.87Å; S1020-L1067 WeakPolarHBondContact O-CD1 3.29Å
1021	T	57.8	Low	55.7	Low	68 Å²	68	83.2 Å²	83.2	42%	0.417	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-1.4	-177	52.1	0	0	0	0	113.6	S1019 C1063 R1070	S1019-T1021 VanDerWaalsContact C-N 3.27Å; S1019-T1021 PolarHBondContact O-N 3.19Å; T1021-C1063 HydrophobicContact CG2-CB 3.76Å; T1021-C1063 VanDerWaalsContact CG2-SG 3.54Å; T1021-R1070 PolarHBondContact O-NH1 2.82Å
1022	G	66.8	Low	58.5	Low	14 Å²	14	79.7 Å²	79.7	14%	0.144	43%	0.434	C	S	.	.	S	Bend	trans	-80.1	163.4	-172	0	0	0	0	0	114.7	G1024 A1025 A1026	G1022-G1024 PolarHBondContact O-N 3.02Å; G1022-A1025 WeakPolarHBondContact O-CA 3.32Å; G1022-A1025 WeakPolarHBondContact O-CB 3.47Å; G1022-A1025 PolarHBondContact O-N 3.44Å; G1022-A1026 PolarHBondContact O-N 2.87Å; G1022-A1026 VanDerWaalsContact O-N 3.13Å
1023	P	64.9	Low	61.3	Low	97 Å²	97	71.3 Å²	71.3	63%	0.63	40%	0.397	S	S	*	.	H	α-helix	trans	-55.8	-31.8	171.7	-25.5	35.1	0	0	0	113.5	A1025 A1026 K1027	P1023-A1025 VanDerWaalsContact C-N 3.34Å; P1023-A1026 PolarHBondContact O-N 3.12Å; P1023-K1027 PolarHBondContact O-N 3.35Å
1024	G	65.3	Low	64.2	Low	44 Å²	44	69.6 Å²	69.6	45%	0.454	38%	0.376	S	S	.	.	H	α-helix	trans	-69.4	-24.8	172.1	0	0	0	0	0	114.4	G1022 R1028	G1022-G1024 PolarHBondContact O-N 3.02Å; G1024-R1028 WeakPolarHBondContact O-CB 3.41Å; G1024-R1028 WeakPolarHBondContact O-CG 3.3Å; G1024-R1028 PolarHBondContact O-N 3.45Å; G1024-R1028 PolarHBondContact O-NE 2.75Å
1025	A	73.8	Confident	66.9	Low	2 Å²	2	68.8 Å²	68.8	2%	0.017	38%	0.376	C	S	.	.	H	α-helix	trans	-75.3	-40.8	169.6	0	0	0	0	0	110.9	G1022 P1023 R1028 L1029 L1067	G1022-A1025 WeakPolarHBondContact O-CA 3.32Å; G1022-A1025 WeakPolarHBondContact O-CB 3.47Å; G1022-A1025 PolarHBondContact O-N 3.44Å; P1023-A1025 VanDerWaalsContact C-N 3.34Å; A1025-R1028 PolarHBondContact O-N 2.97Å; A1025-L1029 WeakPolarHBondContact O-CB 3.36Å; A1025-L1029 PolarHBondContact O-N 3.18Å; A1025-L1067 HydrophobicContact CB-CD1 3.99Å; A1025-L1067 HydrophobicContact CB-CD2 4.02Å
1026	A	80.1	Confident	69.6	Low	10 Å²	10	58 Å²	58	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-45.8	173.4	0	0	0	0	0	112.1	G1022 P1023 L1029 L1030 L1067 L1071	G1022-A1026 PolarHBondContact O-N 2.87Å; G1022-A1026 VanDerWaalsContact O-N 3.13Å; P1023-A1026 PolarHBondContact O-N 3.12Å; A1026-L1029 PolarHBondContact O-N 2.94Å; A1026-L1030 WeakPolarHBondContact O-CB 3.45Å; A1026-L1030 PolarHBondContact O-N 3.34Å; A1026-L1067 HydrophobicContact CB-CD2 4.15Å; A1026-L1071 HydrophobicContact CB-CD2 4.09Å; A1026-L1071 HydrophobicContact CB-CG 4.3Å
1027	K	77.8	Confident	72.4	Confident	164 Å²	164	53 Å²	53	71%	0.713	32%	0.315	S	S	*	.	H	α-helix	trans	-62.4	-40.8	175.1	-76	-174.2	175.4	-177	0	113.2	P1023 L1030 A1031	P1023-K1027 PolarHBondContact O-N 3.35Å; K1027-L1030 PolarHBondContact O-N 2.67Å; K1027-A1031 WeakPolarHBondContact O-CB 3.37Å; K1027-A1031 PolarHBondContact O-N 3.21Å
1028	R	78.7	Confident	75.1	Confident	93 Å²	93	54.5 Å²	54.5	35%	0.351	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-43.6	175.2	-78.7	-175.4	-64.4	158.5	-0.3	112.2	S1018 G1024 A1025 A1031 A1032 I1057	S1018-R1028 PolarHBondContact OG-NH1 2.88Å; S1018-R1028 PolarHBondContact OG-NH2 2.85Å; G1024-R1028 WeakPolarHBondContact O-CB 3.41Å; G1024-R1028 WeakPolarHBondContact O-CG 3.3Å; G1024-R1028 PolarHBondContact O-N 3.45Å; G1024-R1028 PolarHBondContact O-NE 2.75Å; A1025-R1028 PolarHBondContact O-N 2.97Å; R1028-A1031 PolarHBondContact O-N 2.86Å; R1028-A1032 WeakPolarHBondContact O-CB 3.41Å; R1028-A1032 PolarHBondContact O-N 3.41Å; R1028-A1032 VanDerWaalsContact O-N 3.07Å; R1028-I1057 HydrophobicContact CB-CG2 4.23Å
1029	L	86.6	Confident	77.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-44.7	176.3	-175.4	61	0	0	0	111.1	A1025 A1026 A1032 L1033 A1054 I1057 I1059 L1067 L1071	A1025-L1029 WeakPolarHBondContact O-CB 3.36Å; A1025-L1029 PolarHBondContact O-N 3.18Å; A1026-L1029 PolarHBondContact O-N 2.94Å; L1029-A1032 PolarHBondContact O-N 3.44Å; L1029-L1033 HydrophobicContact CD1-CD1 4.26Å; L1029-L1033 HydrophobicContact CD1-CG 4.45Å; L1029-L1033 HydrophobicContact CG-CD1 3.93Å; L1029-L1033 WeakPolarHBondContact O-CB 3.11Å; L1029-L1033 VanDerWaalsContact O-CG 3.25Å; L1029-L1033 WeakPolarHBondContact O-CG 3.48Å; L1029-L1033 PolarHBondContact O-N 3.41Å; L1029-A1054 HydrophobicContact CD1-CB 4.12Å; L1029-I1057 HydrophobicContact CD1-CD1 4.19Å; L1029-I1059 HydrophobicContact CB-CD1 3.97Å; L1029-I1059 HydrophobicContact CD1-CD1 4.39Å; L1029-L1067 HydrophobicContact CD2-CB 4.1Å; L1029-L1067 HydrophobicContact CD2-CD1 4.19Å; L1029-L1071 HydrophobicContact CD2-CD1 4.26Å
1030	L	87.3	Confident	79	Confident	36 Å²	36	61.7 Å²	61.7	19%	0.188	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-48.4	176.4	-173.2	70.7	0	0	0	112.2	A1026 K1027 A1032 L1033 E1034 L1071 A1076 M1077 L1087	A1026-L1030 WeakPolarHBondContact O-CB 3.45Å; A1026-L1030 PolarHBondContact O-N 3.34Å; K1027-L1030 PolarHBondContact O-N 2.67Å; L1030-A1032 VanDerWaalsContact C-N 3.29Å; L1030-A1032 PolarHBondContact O-N 3.45Å; L1030-L1033 PolarHBondContact O-N 3.41Å; L1030-E1034 PolarHBondContact O-N 3.23Å; L1030-L1071 HydrophobicContact CB-CD2 4.21Å; L1030-L1071 HydrophobicContact CD1-CD2 4.39Å; L1030-A1076 HydrophobicContact CD1-CB 3.9Å; L1030-A1076 HydrophobicContact CD2-CB 4.05Å; L1030-M1077 HydrophobicContact CD1-CG 4.35Å; L1030-L1087 HydrophobicContact CD1-CD1 3.58Å
1031	A	83.2	Confident	80.5	Confident	59 Å²	59	68.3 Å²	68.3	49%	0.488	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-35.1	179.9	0	0	0	0	0	112.8	K1027 R1028 L1035	K1027-A1031 WeakPolarHBondContact O-CB 3.37Å; K1027-A1031 PolarHBondContact O-N 3.21Å; R1028-A1031 PolarHBondContact O-N 2.86Å; A1031-L1035 WeakPolarHBondContact O-CB 3.37Å; A1031-L1035 PolarHBondContact O-N 3.48Å; A1031-L1035 VanDerWaalsContact O-N 3.12Å
1032	A	85.4	Confident	82	Confident	22 Å²	22	67.2 Å²	67.2	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-72.3	-41.2	173.8	0	0	0	0	0	112.5	R1028 L1029 L1030 E1034 L1035 T1036 I1053 I1057	R1028-A1032 WeakPolarHBondContact O-CB 3.41Å; R1028-A1032 PolarHBondContact O-N 3.41Å; R1028-A1032 VanDerWaalsContact O-N 3.07Å; L1029-A1032 PolarHBondContact O-N 3.44Å; L1030-A1032 VanDerWaalsContact C-N 3.29Å; L1030-A1032 PolarHBondContact O-N 3.45Å; A1032-E1034 VanDerWaalsContact C-N 3.33Å; A1032-E1034 PolarHBondContact O-N 2.95Å; A1032-L1035 CarbonylContact O-C 3.5Å; A1032-L1035 PolarHBondContact O-N 2.95Å; A1032-T1036 PolarHBondContact O-N 2.87Å; A1032-T1036 PolarHBondContact O-OG1 2.89Å; A1032-I1053 HydrophobicContact CB-CG2 3.99Å; A1032-I1057 HydrophobicContact CB-CD1 3.25Å; A1032-I1057 HydrophobicContact CB-CG1 3.94Å
1033	L	88.7	Confident	83.1	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.8	-38	175	-73.5	166.4	0	0	0	112	L1029 L1030 T1036 S1037 F1045 I1050 I1053 M1077 L1087	L1029-L1033 HydrophobicContact CD1-CD1 4.26Å; L1029-L1033 HydrophobicContact CD1-CG 4.45Å; L1029-L1033 HydrophobicContact CG-CD1 3.93Å; L1029-L1033 WeakPolarHBondContact O-CB 3.11Å; L1029-L1033 VanDerWaalsContact O-CG 3.25Å; L1029-L1033 WeakPolarHBondContact O-CG 3.48Å; L1029-L1033 PolarHBondContact O-N 3.41Å; L1030-L1033 PolarHBondContact O-N 3.41Å; L1033-T1036 WeakPolarHBondContact CA-OG1 3.39Å; L1033-T1036 PolarHBondContact O-OG1 3.16Å; L1033-S1037 WeakPolarHBondContact O-CB 3.49Å; L1033-S1037 PolarHBondContact O-N 3.18Å; L1033-F1045 HydrophobicContact CD2-CD1 4.23Å; L1033-F1045 HydrophobicContact CD2-CD2 4.15Å; L1033-F1045 HydrophobicContact CD2-CE1 4.38Å; L1033-F1045 HydrophobicContact CD2-CE2 4.3Å; L1033-F1045 HydrophobicContact CD2-CG 4.11Å; L1033-F1045 HydrophobicContact CD2-CZ 4.41Å; L1033-F1045 WeakPolarHBondContact O-CZ 3.47Å; L1033-I1050 HydrophobicContact CD2-CG1 4.14Å; L1033-I1053 HydrophobicContact CD2-CD1 3.88Å; L1033-I1053 HydrophobicContact CD2-CG2 4.38Å; L1033-M1077 HydrophobicContact CD1-CE 3.65Å; L1033-M1077 HydrophobicContact CD1-SD 4.01Å; L1033-L1087 HydrophobicContact CB-CD1 4.42Å
1034	E	87.9	Confident	84.4	Confident	80 Å²	80	71.9 Å²	71.9	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-59.3	-45.4	167.9	-87.2	-168.6	-134.5	0	0	112.3	L1030 A1032 S1037 K1038 L1087	L1030-E1034 PolarHBondContact O-N 3.23Å; A1032-E1034 VanDerWaalsContact C-N 3.33Å; A1032-E1034 PolarHBondContact O-N 2.95Å; E1034-S1037 WeakPolarHBondContact O-CB 3.4Å; E1034-S1037 PolarHBondContact O-N 3.25Å; E1034-K1038 WeakPolarHBondContact O-CD 3.49Å; E1034-K1038 VanDerWaalsContact O-CG 3.25Å; E1034-K1038 WeakPolarHBondContact O-CG 3.33Å; E1034-K1038 PolarHBondContact O-N 3.22Å; E1034-K1038 IonicContact OE2-NZ 2.73Å; E1034-K1038 PolarHBondContact OE2-NZ 3.47Å; E1034-L1087 HydrophobicContact CG-CD2 4.12Å
1035	L	85.2	Confident	85.7	Confident	95 Å²	95	70 Å²	70	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-67.5	-38.7	-178.6	-171.6	147.9	0	0	0	111.5	A1031 A1032 R1039	A1031-L1035 WeakPolarHBondContact O-CB 3.37Å; A1031-L1035 PolarHBondContact O-N 3.48Å; A1031-L1035 VanDerWaalsContact O-N 3.12Å; A1032-L1035 CarbonylContact O-C 3.5Å; A1032-L1035 PolarHBondContact O-N 2.95Å; L1035-R1039 VanDerWaalsContact O-CG 3.32Å; L1035-R1039 WeakPolarHBondContact O-CG 3.43Å; L1035-R1039 PolarHBondContact O-N 3.05Å
1036	T	86.8	Confident	86.6	Confident	32 Å²	32	72 Å²	72	20%	0.196	36%	0.357	C	S	.	.	H	α-helix	trans	-69.4	-38	171.3	50.5	0	0	0	0	111.9	A1032 L1033 K1038 R1039 T1040 I1053	A1032-T1036 PolarHBondContact O-N 2.87Å; A1032-T1036 PolarHBondContact O-OG1 2.89Å; L1033-T1036 WeakPolarHBondContact CA-OG1 3.39Å; L1033-T1036 PolarHBondContact O-OG1 3.16Å; T1036-K1038 VanDerWaalsContact C-N 3.32Å; T1036-K1038 PolarHBondContact O-N 3.2Å; T1036-R1039 CarbonylContact O-C 3.47Å; T1036-R1039 PolarHBondContact O-N 2.96Å; T1036-T1040 PolarHBondContact O-N 3.27Å; T1036-T1040 PolarHBondContact O-OG1 3.28Å; T1036-T1040 VanDerWaalsContact O-OG1 3.09Å; T1036-I1053 HydrophobicContact CG2-CD1 3.8Å; T1036-I1053 HydrophobicContact CG2-CG1 4.04Å
1037	S	89.9	Confident	87.1	Confident	11 Å²	11	73.2 Å²	73.2	8%	0.077	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-43.2	175.6	-174.4	0	0	0	0	111.6	L1033 E1034 R1039 N1041 S1042	L1033-S1037 WeakPolarHBondContact O-CB 3.49Å; L1033-S1037 PolarHBondContact O-N 3.18Å; E1034-S1037 WeakPolarHBondContact O-CB 3.4Å; E1034-S1037 PolarHBondContact O-N 3.25Å; S1037-R1039 PolarHBondContact O-N 3.19Å; S1037-N1041 VanDerWaalsContact O-CA 3.27Å; S1037-N1041 WeakPolarHBondContact O-CA 3.39Å; S1037-N1041 PolarHBondContact O-N 3.17Å; S1037-S1042 WeakPolarHBondContact CA-O 3.34Å; S1037-S1042 VanDerWaalsContact CB-O 3.29Å; S1037-S1042 WeakPolarHBondContact CB-O 3.42Å; S1037-S1042 PolarHBondContact OG-O 3.2Å
1038	K	85.1	Confident	87.6	Confident	153 Å²	153	69 Å²	69	67%	0.665	35%	0.353	S	S	*	.	H	α-helix	trans	-63.6	-25.7	174.3	-69.8	159.9	-168.1	162.5	0	113.1	E1034 T1036	E1034-K1038 WeakPolarHBondContact O-CD 3.49Å; E1034-K1038 VanDerWaalsContact O-CG 3.25Å; E1034-K1038 WeakPolarHBondContact O-CG 3.33Å; E1034-K1038 PolarHBondContact O-N 3.22Å; E1034-K1038 IonicContact OE2-NZ 2.73Å; E1034-K1038 PolarHBondContact OE2-NZ 3.47Å; T1036-K1038 VanDerWaalsContact C-N 3.32Å; T1036-K1038 PolarHBondContact O-N 3.2Å
1039	R	85.7	Confident	88.1	Confident	206 Å²	206	68.7 Å²	68.7	78%	0.777	36%	0.355	S	S	*	.	H	α-helix	trans	-92	-33.5	179.9	-68	174.4	85	172.2	7.9	113.9	L1035 T1036 S1037	L1035-R1039 VanDerWaalsContact O-CG 3.32Å; L1035-R1039 WeakPolarHBondContact O-CG 3.43Å; L1035-R1039 PolarHBondContact O-N 3.05Å; T1036-R1039 CarbonylContact O-C 3.47Å; T1036-R1039 PolarHBondContact O-N 2.96Å; S1037-R1039 PolarHBondContact O-N 3.19Å
1040	T	86	Confident	88.3	Confident	89 Å²	89	68.7 Å²	68.7	55%	0.546	36%	0.355	S	S	.	.	H	α-helix	trans	-94.6	-13	179	62.1	0	0	0	0	113.4	T1036 S1042	T1036-T1040 PolarHBondContact O-N 3.27Å; T1036-T1040 PolarHBondContact O-OG1 3.28Å; T1036-T1040 VanDerWaalsContact O-OG1 3.09Å; T1040-S1042 PolarHBondContact O-N 3.43Å; T1040-S1042 PolarHBondContact OG1-N 2.86Å
1041	N	86.6	Confident	88.4	Confident	159 Å²	159	69.7 Å²	69.7	85%	0.85	36%	0.361	S	S	*	.			trans	56.7	22.4	-171.1	-149.9	11.8	0	0	0	113.7	S1037	S1037-N1041 VanDerWaalsContact O-CA 3.27Å; S1037-N1041 WeakPolarHBondContact O-CA 3.39Å; S1037-N1041 PolarHBondContact O-N 3.17Å
1042	S	89.6	Confident	88.7	Confident	46 Å²	46	70.7 Å²	70.7	32%	0.322	36%	0.361	S	S	.	.			trans	-107.8	141.4	172.2	-179.3	0	0	0	0	110.7	S1037 T1040 L1044	S1037-S1042 WeakPolarHBondContact CA-O 3.34Å; S1037-S1042 VanDerWaalsContact CB-O 3.29Å; S1037-S1042 WeakPolarHBondContact CB-O 3.42Å; S1037-S1042 PolarHBondContact OG-O 3.2Å; T1040-S1042 PolarHBondContact O-N 3.43Å; T1040-S1042 PolarHBondContact OG1-N 2.86Å; S1042-L1044 PolarHBondContact OG-N 2.9Å; S1042-L1044 PolarHBondContact OG-O 3.31Å
1043	R	90.2	Very high	88.8	Confident	130 Å²	130	70.4 Å²	70.4	49%	0.491	36%	0.356	S	S	.	.	S	Bend	trans	-100.5	-3.2	166	-92.9	-179.8	150.3	82.8	0.6	113.2	K1086 L1087 V1088	R1043-K1086 CarbonylContact O-C 3.59Å; R1043-K1086 WeakPolarHBondContact O-CA 3.4Å; R1043-L1087 WeakPolarHBondContact CD-O 3.32Å; R1043-L1087 HydrophobicContact CG-CB 4.37Å; R1043-L1087 PolarHBondContact O-N 3.32Å; R1043-V1088 VanDerWaalsContact NE-C 3.34Å; R1043-V1088 PolarHBondContact NE-O 3.41Å; R1043-V1088 PolarHBondContact NE-OXT 2.88Å; R1043-V1088 PolarHBondContact NH2-O 3.2Å
1044	L	92.5	Very high	88.7	Confident	78 Å²	78	70.4 Å²	70.4	41%	0.408	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	132.2	176.7	-70.1	169.4	0	0	0	109.6	S1042 K1086	S1042-L1044 PolarHBondContact OG-N 2.9Å; S1042-L1044 PolarHBondContact OG-O 3.31Å; L1044-K1086 HydrophobicContact CD2-CB 3.79Å; L1044-K1086 HydrophobicContact CD2-CG 3.94Å
1045	F	93	Very high	88.5	Confident	6 Å²	6	71 Å²	71	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.1	178.5	-63.1	-81.4	0	0	0	110.4	L1033 I1050 I1053 Y1085 L1087	L1033-F1045 HydrophobicContact CD2-CD1 4.23Å; L1033-F1045 HydrophobicContact CD2-CD2 4.15Å; L1033-F1045 HydrophobicContact CD2-CE1 4.38Å; L1033-F1045 HydrophobicContact CD2-CE2 4.3Å; L1033-F1045 HydrophobicContact CD2-CG 4.11Å; L1033-F1045 HydrophobicContact CD2-CZ 4.41Å; L1033-F1045 WeakPolarHBondContact O-CZ 3.47Å; F1045-I1050 HydrophobicContact CB-CD1 4.06Å; F1045-I1050 HydrophobicContact CB-CG1 3.85Å; F1045-I1053 HydrophobicContact CD1-CD1 4.36Å; F1045-I1053 HydrophobicContact CE1-CD1 4.31Å; F1045-Y1085 PolarHBondContact N-O 3.29Å; F1045-Y1085 PolarHBondContact O-N 3Å; F1045-L1087 HydrophobicContact CD2-CB 4.49Å; F1045-L1087 HydrophobicContact CE2-CB 4.1Å; F1045-L1087 HydrophobicContact CE2-CD2 4.46Å
1046	T	92.6	Very high	88.3	Confident	43 Å²	43	73 Å²	73	26%	0.264	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	156.1	168.9	63.6	0	0	0	0	111	S1048 E1049 I1050 N1083 L1084	T1046-S1048 WeakPolarHBondContact CB-OG 3.19Å; T1046-S1048 PolarHBondContact O-N 2.88Å; T1046-S1048 PolarHBondContact OG1-OG 2.92Å; T1046-E1049 VanDerWaalsContact CB-OE2 3.28Å; T1046-E1049 WeakPolarHBondContact CB-OE2 3.41Å; T1046-E1049 WeakPolarHBondContact CG2-OE2 3.33Å; T1046-E1049 PolarHBondContact N-OE2 3.01Å; T1046-E1049 PolarHBondContact O-N 3.38Å; T1046-E1049 VanDerWaalsContact O-N 3.07Å; T1046-E1049 VanDerWaalsContact OG1-CD 3.29Å; T1046-E1049 WeakPolarHBondContact OG1-CG 3.49Å; T1046-E1049 PolarHBondContact OG1-N 3.34Å; T1046-E1049 PolarHBondContact OG1-OE2 3.19Å; T1046-I1050 WeakPolarHBondContact O-CG1 3.37Å; T1046-I1050 PolarHBondContact O-N 3.49Å; T1046-N1083 CarbonylContact C-O 3.6Å; T1046-N1083 WeakPolarHBondContact CA-O 3.29Å; T1046-L1084 HydrophobicContact CG2-CD2 3.95Å
1047	I	89.9	Confident	87.9	Confident	36 Å²	36	73.3 Å²	73.3	19%	0.185	37%	0.373	C	S	.	.	H	α-helix	trans	-57.7	-30.4	174.9	-122.5	167.1	0	0	0	112.1	N1051 M1065 L1068 N1083 Y1085	I1047-N1051 WeakPolarHBondContact O-CB 3.22Å; I1047-N1051 PolarHBondContact O-N 2.8Å; I1047-N1051 PolarHBondContact O-ND2 2.75Å; I1047-N1051 PolarHBondContact O-OD1 2.82Å; I1047-M1065 HydrophobicContact CD1-CE 4.14Å; I1047-M1065 HydrophobicContact CD1-SD 3.7Å; I1047-L1068 HydrophobicContact CG1-CD1 4.28Å; I1047-N1083 PolarHBondContact N-O 3.4Å; I1047-Y1085 HydrophobicContact CD1-CE2 3.88Å; I1047-Y1085 HydrophobicContact CG1-CE2 3.97Å
1048	S	88.6	Confident	87.2	Confident	74 Å²	74	80 Å²	80	52%	0.517	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-46.9	172.5	23.3	0	0	0	0	113.2	T1046 N1051 T1052	T1046-S1048 WeakPolarHBondContact CB-OG 3.19Å; T1046-S1048 PolarHBondContact O-N 2.88Å; T1046-S1048 PolarHBondContact OG1-OG 2.92Å; S1048-N1051 PolarHBondContact O-N 2.83Å; S1048-T1052 PolarHBondContact O-N 3.2Å; S1048-T1052 PolarHBondContact O-OG1 3.27Å
1049	E	89.8	Confident	86.8	Confident	88 Å²	88	73 Å²	73	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-68.8	-38.3	178.7	-69.1	157.8	129.2	0	0	111.3	T1046 N1051 T1052 I1053	T1046-E1049 VanDerWaalsContact CB-OE2 3.28Å; T1046-E1049 WeakPolarHBondContact CB-OE2 3.41Å; T1046-E1049 WeakPolarHBondContact CG2-OE2 3.33Å; T1046-E1049 PolarHBondContact N-OE2 3.01Å; T1046-E1049 PolarHBondContact O-N 3.38Å; T1046-E1049 VanDerWaalsContact O-N 3.07Å; T1046-E1049 VanDerWaalsContact OG1-CD 3.29Å; T1046-E1049 WeakPolarHBondContact OG1-CG 3.49Å; T1046-E1049 PolarHBondContact OG1-N 3.34Å; T1046-E1049 PolarHBondContact OG1-OE2 3.19Å; E1049-N1051 VanDerWaalsContact C-N 3.31Å; E1049-N1051 PolarHBondContact O-N 3.27Å; E1049-T1052 WeakPolarHBondContact CA-OG1 3.13Å; E1049-T1052 PolarHBondContact O-N 3.06Å; E1049-T1052 PolarHBondContact O-OG1 2.9Å; E1049-I1053 WeakPolarHBondContact O-CB 3.18Å; E1049-I1053 WeakPolarHBondContact O-CD1 3.25Å; E1049-I1053 VanDerWaalsContact O-CG1 3.22Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.37Å; E1049-I1053 PolarHBondContact O-N 3.27Å
1050	I	90.8	Very high	86.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-41.1	173.8	-63	160.7	0	0	0	110.3	L1033 F1045 T1046 I1053 A1054 I1064 L1068 M1077 Y1085	L1033-I1050 HydrophobicContact CD2-CG1 4.14Å; F1045-I1050 HydrophobicContact CB-CD1 4.06Å; F1045-I1050 HydrophobicContact CB-CG1 3.85Å; T1046-I1050 WeakPolarHBondContact O-CG1 3.37Å; T1046-I1050 PolarHBondContact O-N 3.49Å; I1050-I1053 PolarHBondContact O-N 3.31Å; I1050-A1054 VanDerWaalsContact O-CB 3.22Å; I1050-A1054 WeakPolarHBondContact O-CB 3.43Å; I1050-A1054 PolarHBondContact O-N 3.41Å; I1050-I1064 HydrophobicContact CG2-CG2 3.9Å; I1050-L1068 HydrophobicContact CD1-CD1 4.24Å; I1050-L1068 HydrophobicContact CD1-CD2 4.04Å; I1050-L1068 HydrophobicContact CG2-CD1 4.14Å; I1050-L1068 HydrophobicContact CG2-CD2 4.11Å; I1050-L1068 HydrophobicContact CG2-CG 4.41Å; I1050-M1077 HydrophobicContact CD1-CE 3.93Å; I1050-Y1085 HydrophobicContact CD1-CD2 3.87Å; I1050-Y1085 HydrophobicContact CD1-CG 4.12Å
1051	N	88.6	Confident	85.4	Confident	57 Å²	57	65.8 Å²	65.8	31%	0.305	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-39.8	176.3	-72.5	-15.4	0	0	0	112.4	I1047 S1048 E1049 N1055 I1064	I1047-N1051 WeakPolarHBondContact O-CB 3.22Å; I1047-N1051 PolarHBondContact O-N 2.8Å; I1047-N1051 PolarHBondContact O-ND2 2.75Å; I1047-N1051 PolarHBondContact O-OD1 2.82Å; S1048-N1051 PolarHBondContact O-N 2.83Å; E1049-N1051 VanDerWaalsContact C-N 3.31Å; E1049-N1051 PolarHBondContact O-N 3.27Å; N1051-N1055 WeakPolarHBondContact O-CB 3.47Å; N1051-N1055 PolarHBondContact O-N 2.97Å; N1051-N1055 PolarHBondContact O-ND2 3.4Å; N1051-I1064 HydrophobicContact CB-CD1 4.41Å; N1051-I1064 WeakPolarHBondContact OD1-CD1 3.39Å
1052	T	88.9	Confident	84.6	Confident	79 Å²	79	65 Å²	65	49%	0.485	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-46.3	173.5	46.5	0	0	0	0	111.6	S1048 E1049 A1054 N1055 D1056	S1048-T1052 PolarHBondContact O-N 3.2Å; S1048-T1052 PolarHBondContact O-OG1 3.27Å; E1049-T1052 WeakPolarHBondContact CA-OG1 3.13Å; E1049-T1052 PolarHBondContact O-N 3.06Å; E1049-T1052 PolarHBondContact O-OG1 2.9Å; T1052-A1054 VanDerWaalsContact C-N 3.34Å; T1052-A1054 PolarHBondContact O-N 2.96Å; T1052-N1055 WeakPolarHBondContact O-CB 3.29Å; T1052-N1055 PolarHBondContact O-N 3.47Å; T1052-D1056 PolarHBondContact O-N 3.37Å
1053	I	87.8	Confident	83.8	Confident	16 Å²	16	63.6 Å²	63.6	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-39.9	179.4	-68	163.9	0	0	0	111.2	A1032 L1033 T1036 F1045 E1049 I1050 D1056 I1057	A1032-I1053 HydrophobicContact CB-CG2 3.99Å; L1033-I1053 HydrophobicContact CD2-CD1 3.88Å; L1033-I1053 HydrophobicContact CD2-CG2 4.38Å; T1036-I1053 HydrophobicContact CG2-CD1 3.8Å; T1036-I1053 HydrophobicContact CG2-CG1 4.04Å; F1045-I1053 HydrophobicContact CD1-CD1 4.36Å; F1045-I1053 HydrophobicContact CE1-CD1 4.31Å; E1049-I1053 WeakPolarHBondContact O-CB 3.18Å; E1049-I1053 WeakPolarHBondContact O-CD1 3.25Å; E1049-I1053 VanDerWaalsContact O-CG1 3.22Å; E1049-I1053 WeakPolarHBondContact O-CG1 3.37Å; E1049-I1053 PolarHBondContact O-N 3.27Å; I1050-I1053 PolarHBondContact O-N 3.31Å; I1053-D1056 PolarHBondContact O-N 2.91Å; I1053-I1057 HydrophobicContact CG2-CD1 3.89Å; I1053-I1057 WeakPolarHBondContact O-CD1 3.35Å; I1053-I1057 WeakPolarHBondContact O-CG1 3.36Å; I1053-I1057 PolarHBondContact O-N 2.92Å
1054	A	86.1	Confident	83.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-39.4	176.1	0	0	0	0	0	112.6	L1029 I1050 T1052 I1057 Q1058 I1059 I1064	L1029-A1054 HydrophobicContact CD1-CB 4.12Å; I1050-A1054 VanDerWaalsContact O-CB 3.22Å; I1050-A1054 WeakPolarHBondContact O-CB 3.43Å; I1050-A1054 PolarHBondContact O-N 3.41Å; T1052-A1054 VanDerWaalsContact C-N 3.34Å; T1052-A1054 PolarHBondContact O-N 2.96Å; A1054-I1057 PolarHBondContact O-N 3.29Å; A1054-Q1058 PolarHBondContact O-N 3.42Å; A1054-I1059 HydrophobicContact CB-CB 4.21Å; A1054-I1059 WeakPolarHBondContact O-CB 3.49Å; A1054-I1059 PolarHBondContact O-N 3.3Å; A1054-I1064 HydrophobicContact CB-CD1 3.34Å; A1054-I1064 HydrophobicContact CB-CG1 3.86Å
1055	N	84.1	Confident	83.1	Confident	93 Å²	93	57.9 Å²	57.9	50%	0.497	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-42.4	174.2	-70.6	-23.9	0	0	0	111.4	N1051 T1052 I1057 Q1058	N1051-N1055 WeakPolarHBondContact O-CB 3.47Å; N1051-N1055 PolarHBondContact O-N 2.97Å; N1051-N1055 PolarHBondContact O-ND2 3.4Å; T1052-N1055 WeakPolarHBondContact O-CB 3.29Å; T1052-N1055 PolarHBondContact O-N 3.47Å; N1055-I1057 PolarHBondContact O-N 2.82Å; N1055-Q1058 PolarHBondContact O-N 3.19Å
1056	D	80.9	Confident	82.5	Confident	136 Å²	136	61.4 Å²	61.4	73%	0.727	34%	0.337	S	S	*	.	H	α-helix	trans	-60.3	-30.9	177.3	-64.7	-23.9	0	0	0	112.5	T1052 I1053 Q1058	T1052-D1056 PolarHBondContact O-N 3.37Å; I1053-D1056 PolarHBondContact O-N 2.91Å; D1056-Q1058 VanDerWaalsContact C-N 3.32Å
1057	I	78.7	Confident	82.2	Confident	40 Å²	40	59.3 Å²	59.3	21%	0.205	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4	177.7	-47.2	150.3	0	0	0	111.8	R1028 L1029 A1032 I1053 A1054 N1055 I1059	R1028-I1057 HydrophobicContact CB-CG2 4.23Å; L1029-I1057 HydrophobicContact CD1-CD1 4.19Å; A1032-I1057 HydrophobicContact CB-CD1 3.25Å; A1032-I1057 HydrophobicContact CB-CG1 3.94Å; I1053-I1057 HydrophobicContact CG2-CD1 3.89Å; I1053-I1057 WeakPolarHBondContact O-CD1 3.35Å; I1053-I1057 WeakPolarHBondContact O-CG1 3.36Å; I1053-I1057 PolarHBondContact O-N 2.92Å; A1054-I1057 PolarHBondContact O-N 3.29Å; N1055-I1057 PolarHBondContact O-N 2.82Å; I1057-I1059 VanDerWaalsContact C-N 3.3Å; I1057-I1059 HydrophobicContact CB-CD1 4.2Å; I1057-I1059 HydrophobicContact CB-CG1 4.19Å; I1057-I1059 HydrophobicContact CD1-CD1 4.35Å; I1057-I1059 HydrophobicContact CG2-CD1 4.08Å; I1057-I1059 HydrophobicContact CG2-CG1 4.18Å; I1057-I1059 PolarHBondContact O-N 3.38Å
1058	Q	76.5	Confident	82	Confident	152 Å²	152	57.6 Å²	57.6	71%	0.71	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	35.4	-175.4	-52.1	180	-1	0	0	113.8	A1054 N1055 D1056	A1054-Q1058 PolarHBondContact O-N 3.42Å; N1055-Q1058 PolarHBondContact O-N 3.19Å; D1056-Q1058 VanDerWaalsContact C-N 3.32Å
1059	I	76.5	Confident	81.9	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	31%	0.306	C	S	.	.			trans	-88.8	125.3	172.4	-61.9	175.5	0	0	0	108.7	L1029 A1054 I1057 S1061 L1067	L1029-I1059 HydrophobicContact CB-CD1 3.97Å; L1029-I1059 HydrophobicContact CD1-CD1 4.39Å; A1054-I1059 HydrophobicContact CB-CB 4.21Å; A1054-I1059 WeakPolarHBondContact O-CB 3.49Å; A1054-I1059 PolarHBondContact O-N 3.3Å; I1057-I1059 VanDerWaalsContact C-N 3.3Å; I1057-I1059 HydrophobicContact CB-CD1 4.2Å; I1057-I1059 HydrophobicContact CB-CG1 4.19Å; I1057-I1059 HydrophobicContact CD1-CD1 4.35Å; I1057-I1059 HydrophobicContact CG2-CD1 4.08Å; I1057-I1059 HydrophobicContact CG2-CG1 4.18Å; I1057-I1059 PolarHBondContact O-N 3.38Å; I1059-S1061 PolarHBondContact O-N 3.35Å; I1059-L1067 HydrophobicContact CD1-CD1 4.47Å; I1059-L1067 HydrophobicContact CG2-CD1 3.67Å
1060	N	72.2	Confident	81.5	Confident	79 Å²	79	58.1 Å²	58.1	42%	0.422	31%	0.307	S	S	.	.			trans	-58.3	124.3	-179.9	-174.6	-14.2	0	0	0	111.5	N1062 C1063	N1060-N1062 PolarHBondContact O-N 3.12Å; N1060-N1062 PolarHBondContact OD1-N 3.07Å; N1060-C1063 WeakPolarHBondContact O-CB 3.47Å; N1060-C1063 PolarHBondContact O-N 2.82Å
1061	S	68.7	Low	81.2	Confident	65 Å²	65	58.4 Å²	58.4	46%	0.455	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-55.2	-35.7	-177.1	53.3	0	0	0	0	113.7	I1059 C1063 I1064	I1059-S1061 PolarHBondContact O-N 3.35Å; S1061-C1063 PolarHBondContact O-N 2.9Å; S1061-I1064 PolarHBondContact O-N 3.44Å
1062	N	70.9	Confident	81.2	Confident	143 Å²	143	58.4 Å²	58.4	77%	0.765	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-65	-10.1	178.2	-67	-11.4	0	0	0	113.7	N1060	N1060-N1062 PolarHBondContact O-N 3.12Å; N1060-N1062 PolarHBondContact OD1-N 3.07Å
1063	C	72.2	Confident	80.8	Confident	16 Å²	16	62.1 Å²	62.1	11%	0.108	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-109.3	-4.1	-177	-56.6	0	0	0	0	113.7	S1020 T1021 N1060 S1061 M1065 T1066 L1067	S1020-C1063 VanDerWaalsContact O-CB 3.29Å; S1020-C1063 WeakPolarHBondContact O-CB 3.4Å; S1020-C1063 PolarHBondContact OG-SG 2.87Å; T1021-C1063 HydrophobicContact CG2-CB 3.76Å; T1021-C1063 VanDerWaalsContact CG2-SG 3.54Å; N1060-C1063 WeakPolarHBondContact O-CB 3.47Å; N1060-C1063 PolarHBondContact O-N 2.82Å; S1061-C1063 PolarHBondContact O-N 2.9Å; C1063-M1065 PolarHBondContact O-N 2.85Å; C1063-T1066 PolarHBondContact O-N 3Å; C1063-T1066 PolarHBondContact O-OG1 3.37Å; C1063-T1066 VanDerWaalsContact O-OG1 3.11Å; C1063-L1067 WeakPolarHBondContact O-CG 3.49Å; C1063-L1067 PolarHBondContact O-N 2.9Å
1064	I	83.5	Confident	80.4	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-39.5	-171.2	-65.8	173	0	0	0	111.8	I1050 N1051 A1054 S1061 T1066 L1067 L1068	I1050-I1064 HydrophobicContact CG2-CG2 3.9Å; N1051-I1064 HydrophobicContact CB-CD1 4.41Å; N1051-I1064 WeakPolarHBondContact OD1-CD1 3.39Å; A1054-I1064 HydrophobicContact CB-CD1 3.34Å; A1054-I1064 HydrophobicContact CB-CG1 3.86Å; S1061-I1064 PolarHBondContact O-N 3.44Å; I1064-T1066 PolarHBondContact O-N 3.2Å; I1064-L1067 PolarHBondContact O-N 3.04Å; I1064-L1068 HydrophobicContact CG2-CD1 3.82Å; I1064-L1068 HydrophobicContact CG2-CG 4.16Å; I1064-L1068 WeakPolarHBondContact O-CG 3.35Å; I1064-L1068 PolarHBondContact O-N 2.73Å
1065	M	84.1	Confident	80.2	Confident	87 Å²	87	67.1 Å²	67.1	43%	0.429	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-47.5	178.7	-63.8	-55.4	-60.5	0	0	112	I1047 C1063 L1067 L1068 D1069	I1047-M1065 HydrophobicContact CD1-CE 4.14Å; I1047-M1065 HydrophobicContact CD1-SD 3.7Å; C1063-M1065 PolarHBondContact O-N 2.85Å; M1065-L1067 VanDerWaalsContact C-N 3.28Å; M1065-L1067 PolarHBondContact O-N 3.21Å; M1065-L1068 PolarHBondContact O-N 2.84Å; M1065-L1068 VanDerWaalsContact O-N 3.12Å; M1065-D1069 PolarHBondContact O-N 3.29Å
1066	T	82.1	Confident	80.1	Confident	79 Å²	79	63.7 Å²	63.7	49%	0.485	35%	0.348	S	S	.	.	H	α-helix	trans	-70.3	-20.3	178.1	35.2	0	0	0	0	113.9	C1063 I1064 R1070	C1063-T1066 PolarHBondContact O-N 3Å; C1063-T1066 PolarHBondContact O-OG1 3.37Å; C1063-T1066 VanDerWaalsContact O-OG1 3.11Å; I1064-T1066 PolarHBondContact O-N 3.2Å; T1066-R1070 WeakPolarHBondContact O-CG 3.4Å
1067	L	84.7	Confident	80.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-76.7	-40.8	166.6	-66.1	-178.7	0	0	0	112	S1020 A1025 A1026 L1029 I1059 C1063 I1064 M1065 R1070 L1071	S1020-L1067 WeakPolarHBondContact O-CD1 3.29Å; A1025-L1067 HydrophobicContact CB-CD1 3.99Å; A1025-L1067 HydrophobicContact CB-CD2 4.02Å; A1026-L1067 HydrophobicContact CB-CD2 4.15Å; L1029-L1067 HydrophobicContact CD2-CB 4.1Å; L1029-L1067 HydrophobicContact CD2-CD1 4.19Å; I1059-L1067 HydrophobicContact CD1-CD1 4.47Å; I1059-L1067 HydrophobicContact CG2-CD1 3.67Å; C1063-L1067 WeakPolarHBondContact O-CG 3.49Å; C1063-L1067 PolarHBondContact O-N 2.9Å; I1064-L1067 PolarHBondContact O-N 3.04Å; M1065-L1067 VanDerWaalsContact C-N 3.28Å; M1065-L1067 PolarHBondContact O-N 3.21Å; L1067-R1070 PolarHBondContact O-N 3.06Å; L1067-L1071 WeakPolarHBondContact O-CG 3.44Å; L1067-L1071 PolarHBondContact O-N 3.26Å
1068	L	87.3	Confident	80.8	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-43	179.1	-75.4	173.6	0	0	0	112.6	I1047 I1050 I1064 M1065 R1070 L1071 N1072 M1077 Y1085	I1047-L1068 HydrophobicContact CG1-CD1 4.28Å; I1050-L1068 HydrophobicContact CD1-CD1 4.24Å; I1050-L1068 HydrophobicContact CD1-CD2 4.04Å; I1050-L1068 HydrophobicContact CG2-CD1 4.14Å; I1050-L1068 HydrophobicContact CG2-CD2 4.11Å; I1050-L1068 HydrophobicContact CG2-CG 4.41Å; I1064-L1068 HydrophobicContact CG2-CD1 3.82Å; I1064-L1068 HydrophobicContact CG2-CG 4.16Å; I1064-L1068 WeakPolarHBondContact O-CG 3.35Å; I1064-L1068 PolarHBondContact O-N 2.73Å; M1065-L1068 PolarHBondContact O-N 2.84Å; M1065-L1068 VanDerWaalsContact O-N 3.12Å; L1068-R1070 VanDerWaalsContact C-N 3.3Å; L1068-R1070 PolarHBondContact O-N 3.3Å; L1068-L1071 PolarHBondContact O-N 3.18Å; L1068-N1072 WeakPolarHBondContact O-CB 3.45Å; L1068-N1072 PolarHBondContact O-N 3.19Å; L1068-M1077 HydrophobicContact CD2-CE 3.45Å; L1068-M1077 VanDerWaalsContact CD2-CE 3.45Å; L1068-Y1085 HydrophobicContact CB-CD1 4.47Å; L1068-Y1085 HydrophobicContact CB-CE1 3.83Å; L1068-Y1085 HydrophobicContact CD1-CD2 4.35Å; L1068-Y1085 HydrophobicContact CD1-CE1 4.23Å; L1068-Y1085 HydrophobicContact CD1-CE2 3.94Å; L1068-Y1085 HydrophobicContact CD2-CD1 4.15Å; L1068-Y1085 HydrophobicContact CD2-CE1 4.3Å; L1068-Y1085 HydrophobicContact CD2-CG 4.4Å; L1068-Y1085 HydrophobicContact CG-CE1 4.36Å
1069	D	85.1	Confident	81.4	Confident	59 Å²	59	56.6 Å²	56.6	32%	0.316	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-38	177.6	-65	-34.8	0	0	0	110.4	M1065 N1072 E1073 K1079	M1065-D1069 PolarHBondContact O-N 3.29Å; D1069-N1072 WeakPolarHBondContact O-CB 3.38Å; D1069-N1072 PolarHBondContact O-N 3.43Å; D1069-E1073 WeakPolarHBondContact O-CG 3.41Å; D1069-E1073 PolarHBondContact O-N 2.81Å; D1069-K1079 IonicContact OD1-NZ 3.21Å
1070	R	82.3	Confident	81.8	Confident	113 Å²	113	62.1 Å²	62.1	43%	0.426	34%	0.336	S	S	.	.	H	α-helix	trans	-66	-38.6	171.2	-78.7	-177.2	-179.7	169.3	6.1	114.5	T1021 T1066 L1067 L1068 N1072 E1073 S1074	T1021-R1070 PolarHBondContact O-NH1 2.82Å; T1066-R1070 WeakPolarHBondContact O-CG 3.4Å; L1067-R1070 PolarHBondContact O-N 3.06Å; L1068-R1070 VanDerWaalsContact C-N 3.3Å; L1068-R1070 PolarHBondContact O-N 3.3Å; R1070-N1072 PolarHBondContact O-N 3.03Å; R1070-E1073 PolarHBondContact O-N 3.47Å; R1070-S1074 WeakPolarHBondContact O-CB 3.28Å; R1070-S1074 PolarHBondContact O-N 2.89Å; R1070-S1074 PolarHBondContact O-OG 2.95Å
1071	L	84.2	Confident	82.4	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-69.7	-23	175	-70.9	173.4	0	0	0	111.9	A1026 L1029 L1030 L1067 L1068 S1074 G1075 A1076 M1077	A1026-L1071 HydrophobicContact CB-CD2 4.09Å; A1026-L1071 HydrophobicContact CB-CG 4.3Å; L1029-L1071 HydrophobicContact CD2-CD1 4.26Å; L1030-L1071 HydrophobicContact CB-CD2 4.21Å; L1030-L1071 HydrophobicContact CD1-CD2 4.39Å; L1067-L1071 WeakPolarHBondContact O-CG 3.44Å; L1067-L1071 PolarHBondContact O-N 3.26Å; L1068-L1071 PolarHBondContact O-N 3.18Å; L1071-S1074 PolarHBondContact O-OG 2.62Å; L1071-G1075 PolarHBondContact O-N 3.26Å; L1071-A1076 HydrophobicContact CD2-CB 4.26Å; L1071-A1076 PolarHBondContact O-N 3.01Å; L1071-M1077 HydrophobicContact CB-CB 4.01Å; L1071-M1077 PolarHBondContact O-N 3.07Å
1072	N	87.5	Confident	82.9	Confident	56 Å²	56	63.3 Å²	63.3	30%	0.299	35%	0.353	S	S	.	.	H	α-helix	trans	-78.8	-42.6	171.4	179.6	92.2	0	0	0	111.9	L1068 D1069 R1070 S1074 G1075 M1077 K1079	L1068-N1072 WeakPolarHBondContact O-CB 3.45Å; L1068-N1072 PolarHBondContact O-N 3.19Å; D1069-N1072 WeakPolarHBondContact O-CB 3.38Å; D1069-N1072 PolarHBondContact O-N 3.43Å; R1070-N1072 PolarHBondContact O-N 3.03Å; N1072-S1074 VanDerWaalsContact C-N 3.32Å; N1072-S1074 PolarHBondContact O-N 3.3Å; N1072-G1075 PolarHBondContact O-N 2.94Å; N1072-G1075 VanDerWaalsContact O-N 3.16Å; N1072-M1077 WeakPolarHBondContact CA-O 3.22Å; N1072-M1077 VanDerWaalsContact CB-O 3.3Å; N1072-M1077 WeakPolarHBondContact CB-O 3.4Å; N1072-M1077 PolarHBondContact N-O 2.84Å; N1072-K1079 WeakPolarHBondContact OD1-CB 3.21Å; N1072-K1079 PolarHBondContact OD1-N 3.07Å
1073	E	81.8	Confident	83.6	Confident	157 Å²	157	61.3 Å²	61.3	73%	0.734	34%	0.342	S	S	*	.	H	α-helix	trans	-60.4	-39.3	170	-71.8	169.1	167.7	0	0	112.1	D1069 R1070 G1075	D1069-E1073 WeakPolarHBondContact O-CG 3.41Å; D1069-E1073 PolarHBondContact O-N 2.81Å; R1070-E1073 PolarHBondContact O-N 3.47Å; E1073-G1075 PolarHBondContact O-N 2.76Å
1074	S	79.6	Confident	84.5	Confident	82 Å²	82	63.9 Å²	63.9	57%	0.573	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	4	176.6	87	0	0	0	0	114.1	R1070 L1071 N1072 A1076	R1070-S1074 WeakPolarHBondContact O-CB 3.28Å; R1070-S1074 PolarHBondContact O-N 2.89Å; R1070-S1074 PolarHBondContact O-OG 2.95Å; L1071-S1074 PolarHBondContact O-OG 2.62Å; N1072-S1074 VanDerWaalsContact C-N 3.32Å; N1072-S1074 PolarHBondContact O-N 3.3Å; S1074-A1076 PolarHBondContact O-N 2.84Å
1075	G	82.1	Confident	84.9	Confident	39 Å²	39	63.8 Å²	63.8	40%	0.402	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	19.2	179.2	0	0	0	0	0	115.8	L1071 N1072 E1073 V1088	L1071-G1075 PolarHBondContact O-N 3.26Å; N1072-G1075 PolarHBondContact O-N 2.94Å; N1072-G1075 VanDerWaalsContact O-N 3.16Å; E1073-G1075 PolarHBondContact O-N 2.76Å; G1075-V1088 WeakPolarHBondContact O-CG2 3.27Å
1076	A	81.4	Confident	85.2	Confident	22 Å²	22	63.8 Å²	63.8	18%	0.182	35%	0.352	C	S	.	.	S	Bend	trans	-95	-27.8	-178.2	0	0	0	0	0	113.2	L1030 L1071 S1074 V1088	L1030-A1076 HydrophobicContact CD1-CB 3.9Å; L1030-A1076 HydrophobicContact CD2-CB 4.05Å; L1071-A1076 HydrophobicContact CD2-CB 4.26Å; L1071-A1076 PolarHBondContact O-N 3.01Å; S1074-A1076 PolarHBondContact O-N 2.84Å; A1076-V1088 PolarHBondContact O-N 3.02Å
1077	M	86.6	Confident	85.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	110.4	172.2	-84.5	-105.1	-70.1	0	0	110	L1030 L1033 I1050 L1068 L1071 N1072 Y1085 K1086 L1087	L1030-M1077 HydrophobicContact CD1-CG 4.35Å; L1033-M1077 HydrophobicContact CD1-CE 3.65Å; L1033-M1077 HydrophobicContact CD1-SD 4.01Å; I1050-M1077 HydrophobicContact CD1-CE 3.93Å; L1068-M1077 HydrophobicContact CD2-CE 3.45Å; L1068-M1077 VanDerWaalsContact CD2-CE 3.45Å; L1071-M1077 HydrophobicContact CB-CB 4.01Å; L1071-M1077 PolarHBondContact O-N 3.07Å; N1072-M1077 WeakPolarHBondContact CA-O 3.22Å; N1072-M1077 VanDerWaalsContact CB-O 3.3Å; N1072-M1077 WeakPolarHBondContact CB-O 3.4Å; N1072-M1077 PolarHBondContact N-O 2.84Å; M1077-Y1085 HydrophobicContact CE-CD1 4.43Å; M1077-Y1085 HydrophobicContact CE-CG 4.23Å; M1077-K1086 CarbonylContact C-O 3.57Å; M1077-K1086 WeakPolarHBondContact CA-O 3.48Å; M1077-L1087 HydrophobicContact CG-CD1 4Å; M1077-L1087 HydrophobicContact SD-CB 4.07Å; M1077-L1087 HydrophobicContact SD-CD1 4.16Å
1078	L	88.1	Confident	85.6	Confident	86 Å²	86	65 Å²	65	45%	0.45	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	128.1	179.4	-66.5	172.1	0	0	0	111.3	H1080 K1086 V1088	L1078-H1080 PolarHBondContact O-N 3.09Å; L1078-K1086 PolarHBondContact N-O 2.64Å; L1078-K1086 PolarHBondContact O-N 3.36Å; L1078-V1088 HydrophobicContact CD1-CG2 4.07Å; L1078-V1088 HydrophobicContact CG-CG2 3.89Å
1079	K	88.2	Confident	85.5	Confident	93 Å²	93	68.2 Å²	68.2	40%	0.404	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.8	173.6	-167.2	169.1	-168.7	165.7	0	110.1	D1069 N1072 Y1085	D1069-K1079 IonicContact OD1-NZ 3.21Å; N1072-K1079 WeakPolarHBondContact OD1-CB 3.21Å; N1072-K1079 PolarHBondContact OD1-N 3.07Å; K1079-Y1085 HydrophobicContact CB-CD1 4.13Å; K1079-Y1085 HydrophobicContact CB-CE1 3.92Å; K1079-Y1085 HydrophobicContact CD-CE1 4.1Å; K1079-Y1085 WeakPolarHBondContact CE-OH 3.25Å; K1079-Y1085 HydrophobicContact CG-CD1 4.29Å; K1079-Y1085 HydrophobicContact CG-CE1 3.8Å
1080	H	85.6	Confident	85.6	Confident	119 Å²	119	68.7 Å²	68.7	55%	0.551	38%	0.379	S	S	*	.			trans	-123.2	55.9	-170.2	-164.7	66.6	0	0	0	111.6	L1078 L1084 K1086	L1078-H1080 PolarHBondContact O-N 3.09Å; H1080-L1084 CarbonylContact C-O 3.44Å; H1080-L1084 PolarHBondContact N-O 2.85Å; H1080-L1084 VanDerWaalsContact O-CB 3.29Å; H1080-L1084 WeakPolarHBondContact O-CB 3.33Å; H1080-K1086 HydrophobicContact CB-CB 4.34Å
1081	G	84	Confident	85.7	Confident	49 Å²	49	66.2 Å²	66.2	51%	0.505	38%	0.377	S	S	.	.	S	Bend	trans	123.8	-162.1	-176.5	0	0	0	0	0	112
1082	T	80.2	Confident	85.8	Confident	121 Å²	121	69.7 Å²	69.7	74%	0.742	40%	0.397	S	S	*	.	S	Bend	trans	-75.6	-48.4	179.7	45.6	0	0	0	0	112.5
1083	N	85.4	Confident	85.7	Confident	100 Å²	100	70.6 Å²	70.6	54%	0.535	40%	0.403	S	S	.	.	S	Bend	trans	-121.2	18.8	-173.5	-66	-12	0	0	0	113.4	T1046 I1047	T1046-N1083 CarbonylContact C-O 3.6Å; T1046-N1083 WeakPolarHBondContact CA-O 3.29Å; I1047-N1083 PolarHBondContact N-O 3.4Å
1084	L	90.1	Very high	86	Confident	70 Å²	70	64.8 Å²	64.8	37%	0.366	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.9	-173.4	-88	161.5	0	0	0	110.7	T1046 H1080	T1046-L1084 HydrophobicContact CG2-CD2 3.95Å; H1080-L1084 CarbonylContact C-O 3.44Å; H1080-L1084 PolarHBondContact N-O 2.85Å; H1080-L1084 VanDerWaalsContact O-CB 3.29Å; H1080-L1084 WeakPolarHBondContact O-CB 3.33Å
1085	Y	92.4	Very high	86.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.9	177.5	-67.9	-104.3	0	0	0	109.7	F1045 I1047 I1050 L1068 M1077 K1079	F1045-Y1085 PolarHBondContact N-O 3.29Å; F1045-Y1085 PolarHBondContact O-N 3Å; I1047-Y1085 HydrophobicContact CD1-CE2 3.88Å; I1047-Y1085 HydrophobicContact CG1-CE2 3.97Å; I1050-Y1085 HydrophobicContact CD1-CD2 3.87Å; I1050-Y1085 HydrophobicContact CD1-CG 4.12Å; L1068-Y1085 HydrophobicContact CB-CD1 4.47Å; L1068-Y1085 HydrophobicContact CB-CE1 3.83Å; L1068-Y1085 HydrophobicContact CD1-CD2 4.35Å; L1068-Y1085 HydrophobicContact CD1-CE1 4.23Å; L1068-Y1085 HydrophobicContact CD1-CE2 3.94Å; L1068-Y1085 HydrophobicContact CD2-CD1 4.15Å; L1068-Y1085 HydrophobicContact CD2-CE1 4.3Å; L1068-Y1085 HydrophobicContact CD2-CG 4.4Å; L1068-Y1085 HydrophobicContact CG-CE1 4.36Å; M1077-Y1085 HydrophobicContact CE-CD1 4.43Å; M1077-Y1085 HydrophobicContact CE-CG 4.23Å; K1079-Y1085 HydrophobicContact CB-CD1 4.13Å; K1079-Y1085 HydrophobicContact CB-CE1 3.92Å; K1079-Y1085 HydrophobicContact CD-CE1 4.1Å; K1079-Y1085 WeakPolarHBondContact CE-OH 3.25Å; K1079-Y1085 HydrophobicContact CG-CD1 4.29Å; K1079-Y1085 HydrophobicContact CG-CE1 3.8Å
1086	K	91.4	Very high	86.8	Confident	87 Å²	87	65.5 Å²	65.5	38%	0.378	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117	-179.6	-172.1	-169.4	170.8	-168	0	110	R1043 L1044 M1077 L1078 H1080	R1043-K1086 CarbonylContact O-C 3.59Å; R1043-K1086 WeakPolarHBondContact O-CA 3.4Å; L1044-K1086 HydrophobicContact CD2-CB 3.79Å; L1044-K1086 HydrophobicContact CD2-CG 3.94Å; M1077-K1086 CarbonylContact C-O 3.57Å; M1077-K1086 WeakPolarHBondContact CA-O 3.48Å; L1078-K1086 PolarHBondContact N-O 2.64Å; L1078-K1086 PolarHBondContact O-N 3.36Å; H1080-K1086 HydrophobicContact CB-CB 4.34Å
1087	L	90	Very high	87.2	Confident	9 Å²	9	69.1 Å²	69.1	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.8	165.8	-172.3	75.1	0	0	0	108.9	L1030 L1033 E1034 R1043 F1045 M1077	L1030-L1087 HydrophobicContact CD1-CD1 3.58Å; L1033-L1087 HydrophobicContact CB-CD1 4.42Å; E1034-L1087 HydrophobicContact CG-CD2 4.12Å; R1043-L1087 WeakPolarHBondContact CD-O 3.32Å; R1043-L1087 HydrophobicContact CG-CB 4.37Å; R1043-L1087 PolarHBondContact O-N 3.32Å; F1045-L1087 HydrophobicContact CD2-CB 4.49Å; F1045-L1087 HydrophobicContact CE2-CB 4.1Å; F1045-L1087 HydrophobicContact CE2-CD2 4.46Å; M1077-L1087 HydrophobicContact CG-CD1 4Å; M1077-L1087 HydrophobicContact SD-CB 4.07Å; M1077-L1087 HydrophobicContact SD-CD1 4.16Å
1088	V	84.9	Confident	87.3	Confident	95 Å²	95	75.4 Å²	75.4	58%	0.576	41%	0.414	S	S	*	.			trans	-72.5	0	-173.1	178.8	0	0	0	0	111.9	R1043 G1075 A1076 L1078	R1043-V1088 VanDerWaalsContact NE-C 3.34Å; R1043-V1088 PolarHBondContact NE-O 3.41Å; R1043-V1088 PolarHBondContact NE-OXT 2.88Å; R1043-V1088 PolarHBondContact NH2-O 3.2Å; G1075-V1088 WeakPolarHBondContact O-CG2 3.27Å; A1076-V1088 PolarHBondContact O-N 3.02Å; L1078-V1088 HydrophobicContact CD1-CG2 4.07Å; L1078-V1088 HydrophobicContact CG-CG2 3.89Å

Retrieved 1,088 of 1,088 residues in 297.8 ms (Link to these results)

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