A0A5K4EUH5_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EUH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 979 aa.

						>A0A5K4EUH5_SCHMA|A0A5K4EUH5
MSTYSKLYSILKSPDKLKIPSVDSHMDKNPVVPAKRLHTEGILWQCWECGKSYETGFRLSEHLQNCKKDDEVCEQLPGCPFCPRVINQSNDAPFHIHSFNTHVHRFHPEIKSYMCSYCLNLIQSCKIEDLVSHIINIHKIPWRPSPGKLVFLIKLYSILKSPDKLKIPSVDSHMDKNPVVPAKRLHTEGILWQCWECGKSYETGFRLSEHLQNCKKDDEVCEQLPGCPFCPRVINQSNDAPFHIHSFNTHVHRFHPEIKSYMCSYCLNLIQSCKIEDLVSHIINIHKIPWRPSPASLAHLRENQLPHRVVTCLGCGWCTFVLRANNAAQPPTSLETHMNRCSFNGGQVHLTRLSEETCMSTLEKYKVLQESELISTTFARSFPHVRGFTGNSGLSNSPFRFHRYSGNTASRATDNDGNAPNTISNKISRLSTDHNNDKLSIKQKSKLETVLEKSDFQQKETFFDIPLTIPPPPPSSRTTTSQIKKKPTVGRLFVCPLCGDNALSSLRERDEHLQSSHNGELVFPCQICGMAYPLYIALRRHAALQHDSDFDTVRYGPSDLLECEPIECPECHLVAFQDSLVLKLHINRVHKKLQQNITPTSNDSQPVEDIEVSSKPPKISKTKSTNPSIQKKTSTKTTRRRDATPIVNRSRTQSKINKPKVKHKLSIIGGESDILTDSTTTTTNNNNNHPNPVSLQDTNSSEFERMLSSIDGKSAPASCRYCHIEVDNLKELHLHLELEHLNPDNDIEQLGCQACGRVFFGSGGRIDLIGHLRTLHQDDFLQNVLKCPRTEKLGQDSSNTDNDNHTCHESTKSCKAHFSSPRLRQLHISMTNNTTTNNNNNSSILSNSQFSCPILFNEKDYLSDQIKNLILHTEIAADQSGLMILAYCCPNCSRLFVGDNVHTRFESHRSICEAVAATTTTSDNMEESIHPMESDQSIASSPNSTEASDLPCSNVDLHLESLEPVKTSNDKYIDESQTS
					

Structure Viewer

Loading PAE data...

(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	27.1	Very low	29.3	Very low	243 Å²	243	166.6 Å²	166.6	100%	1.197	86%	0.857	S	S	*	*				0	131.4	0	-57.3	-53.6	-170	0	0	108
2	S	27	Very low	29.2	Very low	105 Å²	105	169.7 Å²	169.7	73%	0.734	86%	0.859	S	S	*	*			cis	-139.4	141.5	-11.1	58	0	0	0	0	108.7
3	T	34	Very low	29.1	Very low	135 Å²	135	165.1 Å²	165.1	83%	0.828	85%	0.852	S	S	*	*	S	Bend	trans	161.9	-36.4	167.7	27	0	0	0	0	111.3	S5	T3-S5 PolarHBondContact O-N 2.61Å
4	Y	26.1	Very low	29.1	Very low	236 Å²	236	161.6 Å²	161.6	93%	0.925	85%	0.845	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	14.6	-163.9	-111	-88.9	0	0	0	117.8
5	S	31	Very low	29	Very low	115 Å²	115	160.7 Å²	160.7	80%	0.804	84%	0.842	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	17.9	-162.8	-163.5	0	0	0	0	116.1	T3	T3-S5 PolarHBondContact O-N 2.61Å
6	K	30.9	Very low	28.9	Very low	187 Å²	187	162.7 Å²	162.7	81%	0.813	84%	0.842	S	S	*	*	S	Bend	trans	-126.2	5.4	-174	-84.1	-169.4	173.6	-175.9	0	117.4
7	L	29.9	Very low	29	Very low	158 Å²	158	163.7 Å²	163.7	83%	0.827	85%	0.848	S	S	*	*	S	Bend	trans	-123.4	8.2	-174.5	-71.4	174.2	0	0	0	115.8
8	Y	25.1	Very low	28.9	Very low	230 Å²	230	165.8 Å²	165.8	90%	0.902	85%	0.849	S	S	*	*	S	Bend	trans	-93.4	12	-174.6	-134	-91.6	0	0	0	115
9	S	31.9	Very low	28.9	Very low	110 Å²	110	165.5 Å²	165.5	77%	0.769	85%	0.847	S	S	*	*	S	Bend	trans	-123.7	4.1	-159.3	-43.6	0	0	0	0	116.4
10	I	30.9	Very low	28.8	Very low	136 Å²	136	163.5 Å²	163.5	70%	0.697	85%	0.846	S	S	*	*	S	Bend	trans	-116.4	-22.7	-163.3	-64.8	177.6	0	0	0	114.6	K12	I10-K12 PolarHBondContact O-N 3.13Å
11	L	28.2	Very low	28.6	Very low	178 Å²	178	160.9 Å²	160.9	93%	0.932	84%	0.842	S	S	*	*			trans	-93.2	65.3	-170.4	-65.2	174.7	0	0	0	113.6
12	K	28.1	Very low	28.8	Very low	203 Å²	203	156.1 Å²	156.1	88%	0.883	83%	0.826	S	S	*	*			trans	-146.7	44.2	179.9	-148.1	-172	-179.8	-174.7	0	117.6	I10	I10-K12 PolarHBondContact O-N 3.13Å
13	S	28.7	Very low	28.6	Very low	110 Å²	110	158 Å²	158	77%	0.769	83%	0.828	S	S	*	*			trans	-170.7	129	156	51.8	0	0	0	0	111.9
14	P	28.3	Very low	28.2	Very low	116 Å²	116	156.7 Å²	156.7	75%	0.753	82%	0.824	S	S	*	*			trans	-85.6	144.4	165.8	34.8	-31.8	0	0	0	111.4
15	D	27.6	Very low	28.5	Very low	148 Å²	148	154 Å²	154	79%	0.791	82%	0.82	S	S	*	*			trans	159.5	153.3	135.2	-90	-12.9	0	0	0	113.1
16	K	28.4	Very low	28.2	Very low	193 Å²	193	156.6 Å²	156.6	84%	0.839	82%	0.821	S	S	*	*			trans	65.9	108.9	170	-56.3	170.6	-169.2	176.9	0	117.7
17	L	29.1	Very low	28.2	Very low	180 Å²	180	155.2 Å²	155.2	94%	0.942	82%	0.823	S	S	*	*				-172.8	173.2	102.3	-95.5	162.8	0	0	0	111.2
18	K	27.6	Very low	28	Very low	202 Å²	202	156.6 Å²	156.6	88%	0.878	82%	0.822	S	S	*	*			trans	-110.4	158	-166.9	-76.3	-174.8	175.3	-177.8	0	114.7
19	I	29.2	Very low	28.2	Very low	159 Å²	159	153.5 Å²	153.5	82%	0.815	82%	0.821	S	S	*	*			trans	-59.3	160.3	169.4	-16.8	177.5	0	0	0	112.5
20	P	27.2	Very low	28.1	Very low	125 Å²	125	153.9 Å²	153.9	81%	0.812	82%	0.821	S	S	*	*				-141.9	175.2	107.7	39.6	-26.9	0	0	0	115.6
21	S	24.1	Very low	28	Very low	110 Å²	110	153.9 Å²	153.9	77%	0.769	83%	0.827	S	S	*	*			trans	-110.6	155.2	-174.1	51.8	0	0	0	0	113.9
22	V	31.7	Very low	28.1	Very low	143 Å²	143	151.6 Å²	151.6	87%	0.867	82%	0.82	S	S	*	*			trans	-145.1	148.5	167.3	-174.9	0	0	0	0	110.3
23	D	23.6	Very low	28.5	Very low	143 Å²	143	147.8 Å²	147.8	77%	0.765	82%	0.816	S	S	*	*			trans	-95.5	169.1	-170.6	-72.8	-76.8	0	0	0	116.6
24	S	25.1	Very low	28.3	Very low	108 Å²	108	146.7 Å²	146.7	76%	0.755	81%	0.814	S	S	*	*			trans	48.5	112.2	146.2	64.9	0	0	0	0	121.1
25	H	31.2	Very low	28.2	Very low	181 Å²	181	150.5 Å²	150.5	84%	0.838	82%	0.819	S	S	*	*				-152.3	156.8	106.3	-147.7	-93.9	0	0	0	111.5
26	M	26	Very low	28.2	Very low	169 Å²	169	154.8 Å²	154.8	83%	0.833	82%	0.824	S	S	*	*			trans	-88.5	139.2	169.2	-79.6	-76.6	177.5	0	0	110.1
27	D	29.3	Very low	28.2	Very low	158 Å²	158	153.3 Å²	153.3	85%	0.845	82%	0.824	S	S	*	*			trans	-153.1	161.8	150.4	-138.6	-29.9	0	0	0	112.5
28	K	27.3	Very low	28	Very low	186 Å²	186	153.6 Å²	153.6	81%	0.809	82%	0.82	S	S	*	*			trans	-110.5	111.3	-161	-58.3	170.3	-174.4	172.7	0	112.3
29	N	28.2	Very low	27.9	Very low	165 Å²	165	149.5 Å²	149.5	88%	0.882	81%	0.812	S	S	*	*			trans	-176.1	136.2	143.9	-100.1	-42.4	0	0	0	112.4
30	P	30.7	Very low	27.9	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	81%	0.814	S	S	*	*			trans	-102.3	109.2	176.8	35.1	-28.5	0	0	0	113.1
31	V	29.2	Very low	28.3	Very low	136 Å²	136	147.7 Å²	147.7	82%	0.824	81%	0.807	S	S	*	*			trans	-163.2	131	157.8	120.7	0	0	0	0	113.8
32	V	28.8	Very low	29.2	Very low	129 Å²	129	147.9 Å²	147.9	78%	0.782	80%	0.798	S	S	*	*			trans	63.2	134.8	159	176.6	0	0	0	0	119.7
33	P	36.3	Very low	29.9	Very low	123 Å²	123	146.5 Å²	146.5	80%	0.799	79%	0.785	S	S	*	*			trans	-106.9	150.5	-172.1	39.6	-34.1	0	0	0	116
34	A	24.9	Very low	31.5	Very low	87 Å²	87	141.4 Å²	141.4	72%	0.719	76%	0.755	S	S	*	*			trans	-157	135.1	167.5	0	0	0	0	0	116.1
35	K	26.1	Very low	33	Very low	196 Å²	196	142.4 Å²	142.4	85%	0.852	75%	0.748	S	S	*	*			trans	49.6	99	143.3	-58.9	172.2	-177	174.1	0	120.2
36	R	28.1	Very low	34.7	Very low	239 Å²	239	133.9 Å²	133.9	90%	0.902	71%	0.708	S	S	*	*			trans	-164.5	150.8	139.1	-81.3	118.4	-169.5	-114.4	7.8	106.7
37	L	27.9	Very low	36.4	Very low	161 Å²	161	129.7 Å²	129.7	84%	0.843	68%	0.683	S	S	*	*			cis	-158.1	172.2	-32.2	-120.2	164.2	0	0	0	105.5	T39	L37-T39 PolarHBondContact O-N 2.79Å
38	H	24.9	Very low	38	Very low	187 Å²	187	122.7 Å²	122.7	87%	0.866	65%	0.645	S	S	*	*	S	Bend	trans	-83.1	99.3	-175.8	-102.5	-81.4	0	0	0	113.2
39	T	26	Very low	39.9	Very low	116 Å²	116	115.8 Å²	115.8	71%	0.712	62%	0.62	S	S	*	*	S	Bend	trans	174.4	153.3	140.7	36.6	0	0	0	0	110.3	L37	L37-T39 PolarHBondContact O-N 2.79Å
40	E	28.7	Very low	41.8	Very low	183 Å²	183	109.6 Å²	109.6	86%	0.855	60%	0.596	S	S	*	*	S	Bend	trans	64	152	167	-66.6	147.8	-127.3	0	0	118.7
41	G	37	Very low	43.7	Very low	63 Å²	63	109.7 Å²	109.7	65%	0.649	58%	0.584	S	S	*	*			trans	58.3	117.8	161.9	0	0	0	0	0	120.3	L43	G41-L43 PolarHBondContact O-N 3.36Å
42	I	42.8	Very low	45.5	Very low	114 Å²	114	106.2 Å²	106.2	59%	0.585	57%	0.565	S	S	*	*			trans	-78.9	100.5	151.2	-62.4	179.1	0	0	0	107	W44	I42-W44 PolarHBondContact O-NE1 2.59Å
43	L	46.6	Very low	47.5	Very low	114 Å²	114	102.4 Å²	102.4	60%	0.597	54%	0.537	S	S	*	.			trans	-72.7	129.9	174.2	-71.5	169.7	0	0	0	111	G41	G41-L43 PolarHBondContact O-N 3.36Å
44	W	57.2	Low	48.5	Very low	36 Å²	36	104.4 Å²	104.4	14%	0.136	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	102.2	-179.8	-66.8	79.3	0	0	0	109.3	I42 Y53 G56 L59 I135 K139 P141	I42-W44 PolarHBondContact O-NE1 2.59Å; W44-Y53 PolarHBondContact N-O 3.41Å; W44-Y53 PolarHBondContact O-N 3.25Å; W44-G56 VanDerWaalsContact CD1-N 3.28Å; W44-G56 VanDerWaalsContact CD2-CA 3.46Å; W44-L59 HydrophobicContact CB-CB 3.88Å; W44-L59 HydrophobicContact CB-CD2 3.92Å; W44-L59 HydrophobicContact CB-CG 4.47Å; W44-L59 HydrophobicContact CE3-CD2 4.12Å; W44-I135 HydrophobicContact CE3-CG2 4.24Å; W44-I135 HydrophobicContact CZ3-CG2 3.95Å; W44-K139 HydrophobicContact CH2-CB 4.5Å; W44-P141 HydrophobicContact CE3-CG 4.44Å; W44-P141 HydrophobicContact CH2-CG 4.47Å; W44-P141 HydrophobicContact CZ3-CB 4.35Å; W44-P141 HydrophobicContact CZ3-CG 3.91Å
45	Q	55.5	Low	50.1	Low	128 Å²	128	103.3 Å²	103.3	60%	0.598	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	133.8	-176.8	-162.2	174	22.3	0	0	112.2	G50 K51	Q45-G50 WeakPolarHBondContact CG-O 3.32Å; Q45-G50 PolarHBondContact NE2-O 3.02Å; Q45-K51 CarbonylContact C-O 3.59Å; Q45-K51 WeakPolarHBondContact CA-O 3.39Å
46	C	67	Low	51.8	Low	2 Å²	2	94.4 Å²	94.4	1%	0.014	48%	0.484	C	S	.	.			trans	-72.4	127.8	168.8	-178.4	0	0	0	0	110.5	E48 G50 K51 Y53 L59 H62	C46-E48 PolarHBondContact SG-N 3.18Å; C46-G50 WeakPolarHBondContact O-CA 3.5Å; C46-G50 PolarHBondContact O-N 3.3Å; C46-K51 PolarHBondContact N-O 3.32Å; C46-Y53 HydrophobicContact CB-CE2 4.5Å; C46-L59 HydrophobicContact CB-CD1 3.77Å; C46-H62 VanDerWaalsContact CB-CD2 3.49Å; C46-H62 WeakPolarHBondContact CB-CD2 3.3Å; C46-H62 WeakPolarHBondContact CB-NE2 3.38Å; C46-H62 VanDerWaalsContact SG-CD2 3.6Å; C46-H62 PolarHBondContact SG-NE2 3.48Å
47	W	62.1	Low	53.7	Low	82 Å²	82	87.3 Å²	87.3	31%	0.311	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-26.9	-179.1	95.2	-86.1	0	0	0	112.9	P93 F94 R143 P144	W47-P93 HydrophobicContact CE3-CB 4.37Å; W47-P93 HydrophobicContact CE3-CG 4.28Å; W47-P93 HydrophobicContact CH2-CB 3.53Å; W47-P93 HydrophobicContact CH2-CG 3.6Å; W47-P93 HydrophobicContact CZ2-CB 3.91Å; W47-P93 HydrophobicContact CZ2-CG 4.46Å; W47-P93 HydrophobicContact CZ3-CB 3.78Å; W47-P93 HydrophobicContact CZ3-CG 3.49Å; W47-P93 VanDerWaalsContact CZ3-CG 3.49Å; W47-F94 WeakPolarHBondContact CZ2-O 3.35Å; W47-R143 HydrophobicContact CD2-CG 4.49Å; W47-R143 HydrophobicContact CG-CG 4.39Å; W47-P144 HydrophobicContact CZ2-CG 4.01Å
48	E	62.1	Low	55.8	Low	10 Å²	10	85.7 Å²	85.7	5%	0.047	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-40.9	-174.9	-59	-169	-175.6	0	0	112.6	C46 K68 H95 I96	C46-E48 PolarHBondContact SG-N 3.18Å; E48-K68 VanDerWaalsContact O-CE 3.25Å; E48-K68 WeakPolarHBondContact O-CE 3.36Å; E48-K68 PolarHBondContact O-NZ 3.07Å; E48-H95 IonicContact OE1-ND1 2.86Å; E48-H95 IonicContact OE2-CE1 3.71Å; E48-H95 IonicContact OE2-CG 2.65Å; E48-H95 IonicContact OE2-ND1 2.72Å; E48-H95 PolarHBondContact OE2-ND1 3.23Å; E48-I96 PolarHBondContact OE1-N 2.83Å
49	C	69	Low	58	Low	41 Å²	41	77.2 Å²	77.2	28%	0.277	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-0.6	-177.6	79.3	0	0	0	0	115.4	K51 H62	C49-K51 VanDerWaalsContact C-N 3.26Å; C49-K51 PolarHBondContact O-N 3.27Å; C49-K51 VanDerWaalsContact SG-CG 3.55Å; C49-H62 PolarHBondContact SG-CE1 3.08Å; C49-H62 PolarHBondContact SG-NE2 3Å
50	G	67	Low	59.9	Low	36 Å²	36	72 Å²	72	37%	0.371	37%	0.372	S	S	.	.			trans	75.9	-3.7	176.1	0	0	0	0	0	116.5	Q45 C46	Q45-G50 WeakPolarHBondContact CG-O 3.32Å; Q45-G50 PolarHBondContact NE2-O 3.02Å; C46-G50 WeakPolarHBondContact O-CA 3.5Å; C46-G50 PolarHBondContact O-N 3.3Å
51	K	70.9	Confident	62	Low	121 Å²	121	66.8 Å²	66.8	53%	0.526	35%	0.347	S	S	.	.			trans	-65.8	136	179.6	-68.4	175.5	-173.3	175	0	111.9	Q45 C46 C49 Y53	Q45-K51 CarbonylContact C-O 3.59Å; Q45-K51 WeakPolarHBondContact CA-O 3.39Å; C46-K51 PolarHBondContact N-O 3.32Å; C49-K51 VanDerWaalsContact C-N 3.26Å; C49-K51 PolarHBondContact O-N 3.27Å; C49-K51 VanDerWaalsContact SG-CG 3.55Å; K51-Y53 HydrophobicContact CB-CE2 3.71Å; K51-Y53 WeakPolarHBondContact O-CE2 3.4Å
52	S	67.1	Low	63.8	Low	62 Å²	62	64.9 Å²	64.9	43%	0.434	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.3	-180	-67.2	0	0	0	0	112.1
53	Y	69.8	Low	65	Low	50 Å²	50	60.2 Å²	60.2	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.9	-175.6	-64.3	-80.4	0	0	0	111.9	W44 C46 K51 T55 R58 L59 H62	W44-Y53 PolarHBondContact N-O 3.41Å; W44-Y53 PolarHBondContact O-N 3.25Å; C46-Y53 HydrophobicContact CB-CE2 4.5Å; K51-Y53 HydrophobicContact CB-CE2 3.71Å; K51-Y53 WeakPolarHBondContact O-CE2 3.4Å; Y53-T55 PolarHBondContact O-N 2.95Å; Y53-R58 HydrophobicContact CD1-CB 3.81Å; Y53-R58 HydrophobicContact CG-CB 4.13Å; Y53-L59 HydrophobicContact CD2-CB 4.27Å; Y53-L59 HydrophobicContact CD2-CD1 4Å; Y53-L59 HydrophobicContact CE2-CD1 4.38Å; Y53-H62 HydrophobicContact CE1-CB 4.13Å; Y53-H62 HydrophobicContact CE2-CB 3.75Å; Y53-H62 AromaticContact CE2-CD2 3.49Å; Y53-H62 VanDerWaalsContact CE2-CD2 3.49Å; Y53-H62 WeakPolarHBondContact CE2-CD2 3.39Å; Y53-H62 AromaticContact CE2-CG 3.62Å; Y53-H62 AromaticContact CZ-CD2 3.87Å; Y53-H62 AromaticContact CZ-CG 3.51Å; Y53-H62 PolarHBondContact OH-ND1 3.03Å
54	E	56.9	Low	65.9	Low	164 Å²	164	59 Å²	59	77%	0.766	29%	0.289	S	S	*	.	S	Bend	trans	-64.9	-23.3	-179	-65.9	157.9	-159.8	0	0	113.7
55	T	60.4	Low	66.4	Low	65 Å²	65	62.9 Å²	62.9	40%	0.399	31%	0.313	S	S	.	.	S	Bend	trans	-141.2	150.5	-177.6	64.3	0	0	0	0	112	Y53 F57 R58 L59	Y53-T55 PolarHBondContact O-N 2.95Å; T55-F57 PolarHBondContact O-N 3.49Å; T55-R58 PolarHBondContact O-N 3.08Å; T55-R58 VanDerWaalsContact O-N 3.14Å; T55-R58 PolarHBondContact OG1-N 3.33Å; T55-L59 PolarHBondContact O-N 3.49Å; T55-L59 VanDerWaalsContact O-N 3.11Å
56	G	60.9	Low	66.9	Low	8 Å²	8	57.7 Å²	57.7	8%	0.082	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-26.8	174.3	0	0	0	0	0	113.3	W44 L59 S60 I135	W44-G56 VanDerWaalsContact CD1-N 3.28Å; W44-G56 VanDerWaalsContact CD2-CA 3.46Å; G56-L59 PolarHBondContact O-N 3.33Å; G56-S60 PolarHBondContact O-N 3.43Å; G56-S60 PolarHBondContact O-OG 2.95Å; G56-I135 VanDerWaalsContact O-CG2 3.3Å; G56-I135 WeakPolarHBondContact O-CG2 3.44Å
57	F	67.9	Low	66.5	Low	90 Å²	90	66.6 Å²	66.6	40%	0.395	33%	0.328	S	S	.	.	H	α-helix	trans	-62.9	-49.2	173.3	178.6	-96.8	0	0	0	111.7	T55 L59 S60 E61 N136	T55-F57 PolarHBondContact O-N 3.49Å; F57-L59 VanDerWaalsContact C-N 3.3Å; F57-L59 PolarHBondContact O-N 2.86Å; F57-S60 WeakPolarHBondContact CA-OG 3.36Å; F57-S60 PolarHBondContact O-N 3.23Å; F57-S60 VanDerWaalsContact O-N 3.14Å; F57-S60 PolarHBondContact O-OG 3.19Å; F57-E61 PolarHBondContact O-N 3.26Å; F57-N136 WeakPolarHBondContact CA-OD1 3.49Å
58	R	72.9	Confident	66	Low	128 Å²	128	68 Å²	68	48%	0.483	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-34.6	174.9	-73	-60.3	-160.4	-174.7	3.2	112.3	Y53 T55 E61 H62	Y53-R58 HydrophobicContact CD1-CB 3.81Å; Y53-R58 HydrophobicContact CG-CB 4.13Å; T55-R58 PolarHBondContact O-N 3.08Å; T55-R58 VanDerWaalsContact O-N 3.14Å; T55-R58 PolarHBondContact OG1-N 3.33Å; R58-E61 WeakPolarHBondContact CD-OE2 3.46Å; R58-E61 IonicContact CZ-OE2 3.31Å; R58-E61 IonicContact NE-OE2 3.74Å; R58-E61 IonicContact NH1-OE1 3.89Å; R58-E61 PolarHBondContact NH1-OE1 3.37Å; R58-E61 IonicContact NH1-OE2 3.73Å; R58-E61 PolarHBondContact NH1-OE2 3.21Å; R58-H62 WeakPolarHBondContact O-CB 3.32Å; R58-H62 PolarHBondContact O-N 3.41Å
59	L	71	Confident	64.8	Low	9 Å²	9	75.4 Å²	75.4	5%	0.047	38%	0.377	C	S	.	.	H	α-helix	trans	-64.4	-44.2	170.8	177.4	62.3	0	0	0	111.9	W44 C46 Y53 T55 G56 F57 H62 L63 I135	W44-L59 HydrophobicContact CB-CB 3.88Å; W44-L59 HydrophobicContact CB-CD2 3.92Å; W44-L59 HydrophobicContact CB-CG 4.47Å; W44-L59 HydrophobicContact CE3-CD2 4.12Å; C46-L59 HydrophobicContact CB-CD1 3.77Å; Y53-L59 HydrophobicContact CD2-CB 4.27Å; Y53-L59 HydrophobicContact CD2-CD1 4Å; Y53-L59 HydrophobicContact CE2-CD1 4.38Å; T55-L59 PolarHBondContact O-N 3.49Å; T55-L59 VanDerWaalsContact O-N 3.11Å; G56-L59 PolarHBondContact O-N 3.33Å; F57-L59 VanDerWaalsContact C-N 3.3Å; F57-L59 PolarHBondContact O-N 2.86Å; L59-H62 PolarHBondContact O-N 2.85Å; L59-L63 HydrophobicContact CD1-CD1 4.12Å; L59-L63 HydrophobicContact CD1-CD2 4.45Å; L59-L63 HydrophobicContact CD1-CG 3.98Å; L59-L63 HydrophobicContact CD2-CD1 4.4Å; L59-L63 HydrophobicContact CG-CD1 3.87Å; L59-L63 HydrophobicContact CG-CG 4.21Å; L59-L63 WeakPolarHBondContact O-CG 3.18Å; L59-L63 PolarHBondContact O-N 3.28Å; L59-I135 HydrophobicContact CD2-CD1 4.24Å
60	S	64.3	Low	63.6	Low	5 Å²	5	78.8 Å²	78.8	4%	0.035	39%	0.392	C	S	.	.	H	α-helix	trans	-64.3	-40.7	177.3	47.5	0	0	0	0	113.2	G56 F57 H62 L63 Q64 N136	G56-S60 PolarHBondContact O-N 3.43Å; G56-S60 PolarHBondContact O-OG 2.95Å; F57-S60 WeakPolarHBondContact CA-OG 3.36Å; F57-S60 PolarHBondContact O-N 3.23Å; F57-S60 VanDerWaalsContact O-N 3.14Å; F57-S60 PolarHBondContact O-OG 3.19Å; S60-H62 VanDerWaalsContact C-N 3.27Å; S60-H62 PolarHBondContact O-N 2.84Å; S60-L63 PolarHBondContact O-N 2.94Å; S60-Q64 PolarHBondContact O-N 3.45Å; S60-N136 PolarHBondContact OG-ND2 2.76Å
61	E	72.9	Confident	62.5	Low	74 Å²	74	85.7 Å²	85.7	35%	0.346	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-37.5	173.5	178.7	-178.6	-127.8	0	0	111.9	F57 R58 N65	F57-E61 PolarHBondContact O-N 3.26Å; R58-E61 WeakPolarHBondContact CD-OE2 3.46Å; R58-E61 IonicContact CZ-OE2 3.31Å; R58-E61 IonicContact NE-OE2 3.74Å; R58-E61 IonicContact NH1-OE1 3.89Å; R58-E61 PolarHBondContact NH1-OE1 3.37Å; R58-E61 IonicContact NH1-OE2 3.73Å; R58-E61 PolarHBondContact NH1-OE2 3.21Å; E61-N65 PolarHBondContact O-ND2 2.69Å
62	H	76	Confident	61.2	Low	23 Å²	23	85 Å²	85	11%	0.106	42%	0.42	C	S	.	.	H	α-helix	trans	-73.9	-42.1	174	168.5	55.8	0	0	0	113.4	C46 C49 Y53 R58 L59 S60 Q64 N65 C66	C46-H62 VanDerWaalsContact CB-CD2 3.49Å; C46-H62 WeakPolarHBondContact CB-CD2 3.3Å; C46-H62 WeakPolarHBondContact CB-NE2 3.38Å; C46-H62 VanDerWaalsContact SG-CD2 3.6Å; C46-H62 PolarHBondContact SG-NE2 3.48Å; C49-H62 PolarHBondContact SG-CE1 3.08Å; C49-H62 PolarHBondContact SG-NE2 3Å; Y53-H62 HydrophobicContact CE1-CB 4.13Å; Y53-H62 HydrophobicContact CE2-CB 3.75Å; Y53-H62 AromaticContact CE2-CD2 3.49Å; Y53-H62 VanDerWaalsContact CE2-CD2 3.49Å; Y53-H62 WeakPolarHBondContact CE2-CD2 3.39Å; Y53-H62 AromaticContact CE2-CG 3.62Å; Y53-H62 AromaticContact CZ-CD2 3.87Å; Y53-H62 AromaticContact CZ-CG 3.51Å; Y53-H62 PolarHBondContact OH-ND1 3.03Å; R58-H62 WeakPolarHBondContact O-CB 3.32Å; R58-H62 PolarHBondContact O-N 3.41Å; L59-H62 PolarHBondContact O-N 2.85Å; S60-H62 VanDerWaalsContact C-N 3.27Å; S60-H62 PolarHBondContact O-N 2.84Å; H62-Q64 PolarHBondContact O-N 3.21Å; H62-N65 CarbonylContact O-C 3.3Å; H62-N65 VanDerWaalsContact O-C 3.3Å; H62-N65 WeakPolarHBondContact O-CA 3.39Å; H62-N65 PolarHBondContact O-N 3.24Å; H62-C66 PolarHBondContact O-N 3.03Å
63	L	66.7	Low	60.1	Low	17 Å²	17	86.8 Å²	86.8	9%	0.089	43%	0.432	C	S	.	.	H	α-helix	trans	-60.9	-33.1	-178.5	-75.3	169	0	0	0	112.4	L59 S60 N65 I96 V131 I135	L59-L63 HydrophobicContact CD1-CD1 4.12Å; L59-L63 HydrophobicContact CD1-CD2 4.45Å; L59-L63 HydrophobicContact CD1-CG 3.98Å; L59-L63 HydrophobicContact CD2-CD1 4.4Å; L59-L63 HydrophobicContact CG-CD1 3.87Å; L59-L63 HydrophobicContact CG-CG 4.21Å; L59-L63 WeakPolarHBondContact O-CG 3.18Å; L59-L63 PolarHBondContact O-N 3.28Å; S60-L63 PolarHBondContact O-N 2.94Å; L63-N65 PolarHBondContact O-N 3.27Å; L63-I96 HydrophobicContact CB-CD1 4.44Å; L63-I96 HydrophobicContact CD2-CD1 4.25Å; L63-V131 HydrophobicContact CD1-CG1 3.93Å; L63-I135 HydrophobicContact CD1-CD1 3.72Å
64	Q	66	Low	59.3	Low	88 Å²	88	90.8 Å²	90.8	41%	0.411	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.6	171.8	-71	177.7	-28.9	0	0	113.8	S60 H62 E128	S60-Q64 PolarHBondContact O-N 3.45Å; H62-Q64 PolarHBondContact O-N 3.21Å; Q64-E128 HydrophobicContact CG-CB 4.31Å; Q64-E128 HydrophobicContact CG-CG 4.23Å
65	N	67.7	Low	59.2	Low	118 Å²	118	90.6 Å²	90.6	63%	0.631	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	12.3	-174.2	-66.8	-71.7	0	0	0	112.8	E61 H62 L63 K67	E61-N65 PolarHBondContact O-ND2 2.69Å; H62-N65 CarbonylContact O-C 3.3Å; H62-N65 VanDerWaalsContact O-C 3.3Å; H62-N65 WeakPolarHBondContact O-CA 3.39Å; H62-N65 PolarHBondContact O-N 3.24Å; L63-N65 PolarHBondContact O-N 3.27Å; N65-K67 PolarHBondContact O-N 3.44Å
66	C	66.2	Low	59.2	Low	18 Å²	18	88.4 Å²	88.4	12%	0.122	44%	0.437	C	S	.	.			trans	-78.7	87.2	-175.7	-173.5	0	0	0	0	110.6	H62	H62-C66 PolarHBondContact O-N 3.03Å
67	K	58.3	Low	59	Low	189 Å²	189	91.9 Å²	91.9	82%	0.822	46%	0.458	S	S	*	.			trans	-88.3	122.9	168	-62.9	-172.5	179.5	-173.8	0	110.1	N65	N65-K67 PolarHBondContact O-N 3.44Å
68	K	51.5	Low	58.4	Low	112 Å²	112	88.9 Å²	88.9	49%	0.487	45%	0.452	S	S	.	.			trans	-114.7	151.1	149.4	-97	-178	165.9	174.6	0	107.4	E48 D70	E48-K68 VanDerWaalsContact O-CE 3.25Å; E48-K68 WeakPolarHBondContact O-CE 3.36Å; E48-K68 PolarHBondContact O-NZ 3.07Å; K68-D70 WeakPolarHBondContact CB-OD2 3.46Å; K68-D70 PolarHBondContact O-N 3.09Å
69	D	38.1	Very low	58	Low	166 Å²	166	83.1 Å²	83.1	89%	0.888	43%	0.431	S	S	*	.			trans	-89.4	81.2	-177.6	-47.3	-73.6	0	0	0	109.1
70	D	43.1	Very low	57.4	Low	111 Å²	111	84.6 Å²	84.6	59%	0.594	44%	0.442	S	S	*	.			trans	-128.4	151.5	-177.7	-74.3	-67.1	0	0	0	111	K68	K68-D70 WeakPolarHBondContact CB-OD2 3.46Å; K68-D70 PolarHBondContact O-N 3.09Å
71	E	43.4	Very low	57.5	Low	182 Å²	182	86.7 Å²	86.7	85%	0.85	45%	0.45	S	S	*	.			trans	-73.9	157.3	-160.2	-60.9	177	129.5	0	0	116	C73	E71-C73 PolarHBondContact O-N 2.85Å
72	V	44.5	Very low	57.1	Low	106 Å²	106	84.9 Å²	84.9	64%	0.642	45%	0.446	S	S	*	.			trans	-76.7	83.6	179.2	-174.7	0	0	0	0	110.8	E74	V72-E74 PolarHBondContact O-N 2.96Å; V72-E74 VanDerWaalsContact O-N 3.15Å
73	C	44.5	Very low	56	Low	100 Å²	100	89.5 Å²	89.5	68%	0.676	48%	0.477	S	S	*	.			trans	-63.7	110.8	167.5	-91.2	0	0	0	0	111	E71 Q75	E71-C73 PolarHBondContact O-N 2.85Å; C73-Q75 VanDerWaalsContact C-N 3.29Å; C73-Q75 PolarHBondContact O-N 3.33Å
74	E	51.5	Low	55	Low	133 Å²	133	100.1 Å²	100.1	62%	0.621	52%	0.516	S	S	*	.	S	Bend	trans	-72.7	-20.9	-177.1	-57.6	-153.3	114	0	0	114	V72 R105 F106	V72-E74 PolarHBondContact O-N 2.96Å; V72-E74 VanDerWaalsContact O-N 3.15Å; E74-R105 IonicContact OE1-NH1 3.76Å; E74-F106 WeakPolarHBondContact O-CE2 3.44Å
75	Q	56.3	Low	54	Low	161 Å²	161	98.9 Å²	98.9	75%	0.752	52%	0.515	S	S	*	.	S	Bend	trans	-120.9	130	173.9	-59.9	-175.5	15.7	0	0	109.2	C73 P77	C73-Q75 VanDerWaalsContact C-N 3.29Å; C73-Q75 PolarHBondContact O-N 3.33Å; Q75-P77 WeakPolarHBondContact O-CD 3.23Å
76	L	60.8	Low	52.7	Low	19 Å²	19	100.1 Å²	100.1	10%	0.099	52%	0.52	C	S	.	.			trans	-106.5	105.4	-175.3	-152.6	167.9	0	0	0	109	G78 C79 F94 F99 H102	L76-G78 PolarHBondContact O-N 3.4Å; L76-C79 PolarHBondContact O-N 3.28Å; L76-F94 HydrophobicContact CD2-CB 4.09Å; L76-F94 HydrophobicContact CD2-CD1 3.84Å; L76-F94 HydrophobicContact CD2-CE1 4.43Å; L76-F94 HydrophobicContact CD2-CG 3.98Å; L76-F99 HydrophobicContact CD1-CB 4.14Å; L76-F99 HydrophobicContact CD1-CD2 4.24Å; L76-H102 HydrophobicContact CB-CB 4.15Å; L76-H102 HydrophobicContact CD1-CB 3.69Å
77	P	55.6	Low	51.2	Low	81 Å²	81	106.8 Å²	106.8	53%	0.526	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.8	131	-169.4	-26.2	35.8	0	0	0	112.8	Q75 C79	Q75-P77 WeakPolarHBondContact O-CD 3.23Å; P77-C79 VanDerWaalsContact C-N 3.33Å; P77-C79 PolarHBondContact O-N 2.89Å
78	G	55.8	Low	50.5	Low	26 Å²	26	104.7 Å²	104.7	27%	0.268	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	15.3	178.7	0	0	0	0	0	115.6	L76 P146	L76-G78 PolarHBondContact O-N 3.4Å; G78-P146 WeakPolarHBondContact O-CB 3.44Å
79	C	64	Low	50	Low	7 Å²	7	105.1 Å²	105.1	5%	0.047	57%	0.565	C	S	.	*			trans	-47.5	124.8	175.9	173.6	0	0	0	0	111.4	L76 P77 F81 C82 H102	L76-C79 PolarHBondContact O-N 3.28Å; P77-C79 VanDerWaalsContact C-N 3.33Å; P77-C79 PolarHBondContact O-N 2.89Å; C79-F81 PolarHBondContact O-N 2.85Å; C79-C82 HydrophobicContact CB-CB 4.05Å; C79-C82 PolarHBondContact O-N 2.83Å; C79-C82 VanDerWaalsContact O-N 3.12Å; C79-H102 WeakPolarHBondContact CB-NE2 3.46Å; C79-H102 PolarHBondContact SG-CD2 3Å; C79-H102 PolarHBondContact SG-NE2 2.95Å
80	P	59.4	Low	50.3	Low	41 Å²	41	101.9 Å²	101.9	27%	0.266	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-1.8	-170.5	29.8	-38.5	0	0	0	114.9	L149 V150	P80-L149 HydrophobicContact CG-CB 4.14Å; P80-L149 HydrophobicContact CG-CD2 4.38Å; P80-V150 HydrophobicContact CB-CG2 3.64Å
81	F	65.9	Low	50.7	Low	48 Å²	48	100.6 Å²	100.6	21%	0.211	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-8.6	-178.5	-42.1	-49.1	0	0	0	112.5	C79 P83 F99 V103 H107 I110 L155	C79-F81 PolarHBondContact O-N 2.85Å; F81-P83 WeakPolarHBondContact O-CD 3.21Å; F81-F99 HydrophobicContact CE2-CE2 4.45Å; F81-F99 AromaticContact CE2-CZ 3.75Å; F81-F99 HydrophobicContact CE2-CZ 3.75Å; F81-F99 HydrophobicContact CZ-CZ 4.39Å; F81-V103 HydrophobicContact CD2-CG2 4.22Å; F81-V103 HydrophobicContact CE2-CG2 3.96Å; F81-H107 VanDerWaalsContact C-CE1 3.47Å; F81-H107 WeakPolarHBondContact CB-CE1 3.27Å; F81-H107 WeakPolarHBondContact CB-ND1 3.43Å; F81-H107 HydrophobicContact CD2-CB 4.41Å; F81-H107 PolarHBondContact O-CE1 3.18Å; F81-I110 HydrophobicContact CD1-CD1 4.29Å; F81-I110 HydrophobicContact CD2-CD1 3.39Å; F81-I110 HydrophobicContact CE1-CD1 4.19Å; F81-I110 HydrophobicContact CE2-CD1 3.23Å; F81-I110 HydrophobicContact CG-CD1 3.93Å; F81-I110 HydrophobicContact CZ-CD1 3.68Å; F81-L155 HydrophobicContact CD1-CD1 4.03Å; F81-L155 HydrophobicContact CE1-CD1 3.49Å; F81-L155 VanDerWaalsContact CE1-CD1 3.49Å; F81-L155 HydrophobicContact CE1-CG 4.48Å; F81-L155 HydrophobicContact CZ-CD1 3.89Å
82	C	64.9	Low	51.2	Low	37 Å²	37	94.8 Å²	94.8	25%	0.25	52%	0.524	C	S	.	.			trans	-92.2	117.1	-176.6	-93.6	0	0	0	0	111.9	C79 R84 H102 H107	C79-C82 HydrophobicContact CB-CB 4.05Å; C79-C82 PolarHBondContact O-N 2.83Å; C79-C82 VanDerWaalsContact O-N 3.12Å; C82-R84 PolarHBondContact O-N 3.41Å; C82-H102 PolarHBondContact SG-NE2 2.88Å; C82-H107 PolarHBondContact SG-NE2 3.35Å; C82-H107 VanDerWaalsContact SG-NE2 3.37Å
83	P	50.9	Low	51.8	Low	119 Å²	119	91.8 Å²	91.8	77%	0.773	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-7	-174.2	-24.5	35.2	0	0	0	117.2	F81	F81-P83 WeakPolarHBondContact O-CD 3.21Å
84	R	47.8	Very low	52.6	Low	240 Å²	240	88 Å²	88	91%	0.906	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-1.6	-164.9	-75.8	-174.1	170.5	-179.3	-2.9	116.4	C82	C82-R84 PolarHBondContact O-N 3.41Å
85	V	43.8	Very low	53.3	Low	62 Å²	62	83.9 Å²	83.9	38%	0.376	46%	0.459	S	S	.	.			trans	-136.5	72.5	-173.5	-165.1	0	0	0	0	112.7
86	I	39.6	Very low	54	Low	144 Å²	144	76.6 Å²	76.6	74%	0.738	43%	0.425	S	S	*	.			trans	-103.9	-23.3	177.3	-63.3	177.8	0	0	0	112.6
87	N	35.5	Very low	54.5	Low	158 Å²	158	82.1 Å²	82.1	85%	0.845	45%	0.45	S	S	*	.	S	Bend	trans	-104	31.4	-166.5	-68.2	-3.9	0	0	0	115.4
88	Q	43.2	Very low	55.1	Low	145 Å²	145	80.4 Å²	80.4	68%	0.678	44%	0.44	S	S	*	.			trans	-135.7	128.7	171.6	-68.8	-172.4	1.3	0	0	111.5	N90	Q88-N90 PolarHBondContact O-N 3.38Å
89	S	41.2	Very low	56	Low	122 Å²	122	79.2 Å²	79.2	85%	0.853	43%	0.427	S	S	*	.			trans	-80.2	39.2	-169.2	60.5	0	0	0	0	114.7	D91	S89-D91 PolarHBondContact O-N 2.94Å
90	N	43.9	Very low	56.6	Low	97 Å²	97	79.9 Å²	79.9	52%	0.519	43%	0.431	S	S	.	.			trans	-89.2	80.9	-175.8	-73.9	-19.1	0	0	0	111.3	Q88 A92	Q88-N90 PolarHBondContact O-N 3.38Å; N90-A92 PolarHBondContact O-N 3.02Å
91	D	52.4	Low	57.4	Low	85 Å²	85	80 Å²	80	46%	0.455	43%	0.431	S	S	.	.			trans	-71.3	27.3	176.1	-142.4	-4.6	0	0	0	113	S89	S89-D91 PolarHBondContact O-N 2.94Å
92	A	54.1	Low	57.8	Low	60 Å²	60	78.3 Å²	78.3	50%	0.496	42%	0.424	S	S	.	.			trans	-70.9	133.7	-171.5	0	0	0	0	0	111.4	N90 P146	N90-A92 PolarHBondContact O-N 3.02Å; A92-P146 WeakPolarHBondContact O-CD 3.36Å
93	P	57.1	Low	58.3	Low	43 Å²	43	76.8 Å²	76.8	28%	0.279	41%	0.413	S	S	.	.			trans	-74.8	140.5	174.5	33.5	-36	0	0	0	110.6	W47 R143 P144	W47-P93 HydrophobicContact CE3-CB 4.37Å; W47-P93 HydrophobicContact CE3-CG 4.28Å; W47-P93 HydrophobicContact CH2-CB 3.53Å; W47-P93 HydrophobicContact CH2-CG 3.6Å; W47-P93 HydrophobicContact CZ2-CB 3.91Å; W47-P93 HydrophobicContact CZ2-CG 4.46Å; W47-P93 HydrophobicContact CZ3-CB 3.78Å; W47-P93 HydrophobicContact CZ3-CG 3.49Å; W47-P93 VanDerWaalsContact CZ3-CG 3.49Å; P93-R143 HydrophobicContact CB-CG 4.49Å; P93-P144 WeakPolarHBondContact CA-O 3.49Å; P93-P144 WeakPolarHBondContact CB-O 3.41Å
94	F	61.7	Low	59.6	Low	19 Å²	19	78.2 Å²	78.2	8%	0.083	41%	0.409	C	S	.	.			trans	-117.7	155.7	-177	54.5	-108.5	0	0	0	111.8	W47 L76 F99 P144 P146 L149	W47-F94 WeakPolarHBondContact CZ2-O 3.35Å; L76-F94 HydrophobicContact CD2-CB 4.09Å; L76-F94 HydrophobicContact CD2-CD1 3.84Å; L76-F94 HydrophobicContact CD2-CE1 4.43Å; L76-F94 HydrophobicContact CD2-CG 3.98Å; F94-F99 HydrophobicContact CD2-CB 3.71Å; F94-F99 HydrophobicContact CD2-CD2 4.29Å; F94-F99 HydrophobicContact CD2-CG 4.29Å; F94-F99 HydrophobicContact CE1-CD2 4.39Å; F94-F99 HydrophobicContact CE2-CB 3.46Å; F94-F99 VanDerWaalsContact CE2-CB 3.46Å; F94-F99 AromaticContact CE2-CD2 3.53Å; F94-F99 HydrophobicContact CE2-CD2 3.53Å; F94-F99 HydrophobicContact CE2-CE2 4.45Å; F94-F99 AromaticContact CE2-CG 3.57Å; F94-F99 HydrophobicContact CE2-CG 3.57Å; F94-F99 HydrophobicContact CZ-CB 4.38Å; F94-F99 AromaticContact CZ-CD2 3.57Å; F94-F99 HydrophobicContact CZ-CD2 3.57Å; F94-F99 HydrophobicContact CZ-CE2 4.13Å; F94-F99 HydrophobicContact CZ-CG 4.07Å; F94-P144 HydrophobicContact CD2-CB 3.84Å; F94-P144 HydrophobicContact CE2-CB 3.61Å; F94-P144 HydrophobicContact CG-CB 4.45Å; F94-P144 HydrophobicContact CZ-CB 4.08Å; F94-P144 WeakPolarHBondContact O-CB 3.2Å; F94-P144 WeakPolarHBondContact O-CG 3.24Å; F94-P146 HydrophobicContact CD1-CG 4.01Å; F94-P146 HydrophobicContact CE1-CB 4.29Å; F94-P146 HydrophobicContact CE1-CG 3.82Å; F94-L149 HydrophobicContact CE1-CD1 4.35Å; F94-L149 HydrophobicContact CE2-CD1 4.43Å; F94-L149 HydrophobicContact CE2-CD2 4.45Å; F94-L149 HydrophobicContact CZ-CD1 3.6Å; F94-L149 HydrophobicContact CZ-CD2 3.7Å; F94-L149 HydrophobicContact CZ-CG 4.28Å
95	H	66.5	Low	61	Low	48 Å²	48	73.4 Å²	73.4	22%	0.222	39%	0.391	C	S	.	.			trans	-69	141.2	176.8	-74.3	-88.7	0	0	0	112.2	E48 H97 S98 F99	E48-H95 IonicContact OE1-ND1 2.86Å; E48-H95 IonicContact OE2-CE1 3.71Å; E48-H95 IonicContact OE2-CG 2.65Å; E48-H95 IonicContact OE2-ND1 2.72Å; E48-H95 PolarHBondContact OE2-ND1 3.23Å; H95-H97 PolarHBondContact O-N 3.46Å; H95-S98 PolarHBondContact O-N 2.92Å; H95-F99 PolarHBondContact O-N 2.83Å; H95-F99 VanDerWaalsContact O-N 3.15Å
96	I	70.7	Confident	62.4	Low	7 Å²	7	75.6 Å²	75.6	4%	0.036	40%	0.395	C	S	.	.	H	α-helix	trans	-56.3	-40.4	177.8	-74.4	169.3	0	0	0	111.3	E48 L63 F99 N100 I127 E128 V131 W142	E48-I96 PolarHBondContact OE1-N 2.83Å; L63-I96 HydrophobicContact CB-CD1 4.44Å; L63-I96 HydrophobicContact CD2-CD1 4.25Å; I96-F99 PolarHBondContact O-N 3.19Å; I96-N100 PolarHBondContact O-N 3.1Å; I96-N100 PolarHBondContact O-ND2 2.83Å; I96-I127 HydrophobicContact CG2-CG2 3.94Å; I96-E128 HydrophobicContact CG2-CB 4Å; I96-V131 HydrophobicContact CD1-CG2 4.3Å; I96-W142 HydrophobicContact CD1-CZ3 4.31Å; I96-W142 HydrophobicContact CG1-CZ3 4.24Å
97	H	71.5	Confident	63.9	Low	136 Å²	136	69.3 Å²	69.3	63%	0.63	36%	0.363	S	S	*	.	H	α-helix	trans	-65	-46.3	179.3	-172.4	62.7	0	0	0	112.7	H95 F99 N100 T101	H95-H97 PolarHBondContact O-N 3.46Å; H97-F99 VanDerWaalsContact C-N 3.28Å; H97-F99 PolarHBondContact O-N 3.37Å; H97-N100 PolarHBondContact O-N 3.39Å; H97-T101 WeakPolarHBondContact O-CB 3.2Å; H97-T101 PolarHBondContact O-N 3.38Å; H97-T101 PolarHBondContact O-OG1 3.31Å; H97-T101 VanDerWaalsContact O-OG1 3.11Å
98	S	67.2	Low	65.8	Low	45 Å²	45	66.2 Å²	66.2	32%	0.315	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-39.4	177.3	-45.8	0	0	0	0	111.6	H95 T101 H102	H95-S98 PolarHBondContact O-N 2.92Å; S98-T101 PolarHBondContact O-N 2.82Å; S98-H102 WeakPolarHBondContact O-CB 3.34Å; S98-H102 PolarHBondContact O-N 3.32Å
99	F	73.8	Confident	66.7	Low	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.9	-46.9	176.6	-176	-94	0	0	0	113.1	L76 F81 F94 H95 I96 H97 T101 H102 V103 I127 L149	L76-F99 HydrophobicContact CD1-CB 4.14Å; L76-F99 HydrophobicContact CD1-CD2 4.24Å; F81-F99 HydrophobicContact CE2-CE2 4.45Å; F81-F99 AromaticContact CE2-CZ 3.75Å; F81-F99 HydrophobicContact CE2-CZ 3.75Å; F81-F99 HydrophobicContact CZ-CZ 4.39Å; F94-F99 HydrophobicContact CD2-CB 3.71Å; F94-F99 HydrophobicContact CD2-CD2 4.29Å; F94-F99 HydrophobicContact CD2-CG 4.29Å; F94-F99 HydrophobicContact CE1-CD2 4.39Å; F94-F99 HydrophobicContact CE2-CB 3.46Å; F94-F99 VanDerWaalsContact CE2-CB 3.46Å; F94-F99 AromaticContact CE2-CD2 3.53Å; F94-F99 HydrophobicContact CE2-CD2 3.53Å; F94-F99 HydrophobicContact CE2-CE2 4.45Å; F94-F99 AromaticContact CE2-CG 3.57Å; F94-F99 HydrophobicContact CE2-CG 3.57Å; F94-F99 HydrophobicContact CZ-CB 4.38Å; F94-F99 AromaticContact CZ-CD2 3.57Å; F94-F99 HydrophobicContact CZ-CD2 3.57Å; F94-F99 HydrophobicContact CZ-CE2 4.13Å; F94-F99 HydrophobicContact CZ-CG 4.07Å; H95-F99 PolarHBondContact O-N 2.83Å; H95-F99 VanDerWaalsContact O-N 3.15Å; I96-F99 PolarHBondContact O-N 3.19Å; H97-F99 VanDerWaalsContact C-N 3.28Å; H97-F99 PolarHBondContact O-N 3.37Å; F99-T101 VanDerWaalsContact C-N 3.29Å; F99-T101 PolarHBondContact O-N 3.46Å; F99-H102 PolarHBondContact O-N 3.07Å; F99-V103 HydrophobicContact CD1-CG2 4.06Å; F99-V103 HydrophobicContact CE1-CG2 3.52Å; F99-V103 HydrophobicContact CE2-CG2 4.06Å; F99-V103 HydrophobicContact CZ-CG2 3.52Å; F99-V103 WeakPolarHBondContact O-CG2 3.26Å; F99-V103 PolarHBondContact O-N 3.4Å; F99-I127 HydrophobicContact CD1-CB 3.96Å; F99-I127 HydrophobicContact CD1-CD1 3.91Å; F99-I127 HydrophobicContact CD1-CG2 3.78Å; F99-I127 HydrophobicContact CE1-CB 4.1Å; F99-I127 HydrophobicContact CE1-CD1 3.69Å; F99-I127 HydrophobicContact CE1-CG1 4.44Å; F99-I127 HydrophobicContact CE1-CG2 4.42Å; F99-I127 HydrophobicContact CZ-CD1 4.38Å; F99-L149 HydrophobicContact CD1-CD2 4.38Å; F99-L149 HydrophobicContact CD2-CD2 3.98Å; F99-L149 HydrophobicContact CE1-CD2 3.77Å; F99-L149 HydrophobicContact CE2-CD2 3.31Å; F99-L149 HydrophobicContact CG-CD2 4.47Å; F99-L149 HydrophobicContact CZ-CD2 3.18Å
100	N	77.9	Confident	68	Low	22 Å²	22	59.3 Å²	59.3	12%	0.118	31%	0.306	C	S	.	.	H	α-helix	trans	-56.7	-44.4	173.8	-73.7	-28.2	0	0	0	111.3	I96 H97 V103 H104 K126 I127 E128	I96-N100 PolarHBondContact O-N 3.1Å; I96-N100 PolarHBondContact O-ND2 2.83Å; H97-N100 PolarHBondContact O-N 3.39Å; N100-V103 PolarHBondContact O-N 2.83Å; N100-H104 VanDerWaalsContact O-CB 3.24Å; N100-H104 WeakPolarHBondContact O-CB 3.09Å; N100-H104 PolarHBondContact O-N 3.46Å; N100-K126 WeakPolarHBondContact OD1-CA 2.91Å; N100-I127 PolarHBondContact OD1-N 2.86Å; N100-E128 PolarHBondContact ND2-OE2 3.23Å
101	T	75.8	Confident	69.2	Low	44 Å²	44	61.3 Å²	61.3	27%	0.27	31%	0.31	S	S	.	.	H	α-helix	trans	-65.2	-40.6	178.7	-63.4	0	0	0	0	112.1	H97 S98 F99 R105	H97-T101 WeakPolarHBondContact O-CB 3.2Å; H97-T101 PolarHBondContact O-N 3.38Å; H97-T101 PolarHBondContact O-OG1 3.31Å; H97-T101 VanDerWaalsContact O-OG1 3.11Å; S98-T101 PolarHBondContact O-N 2.82Å; F99-T101 VanDerWaalsContact C-N 3.29Å; F99-T101 PolarHBondContact O-N 3.46Å; T101-R105 WeakPolarHBondContact O-CB 3.17Å; T101-R105 WeakPolarHBondContact O-CG 3.45Å; T101-R105 PolarHBondContact O-N 3.39Å
102	H	75.2	Confident	70.1	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.056	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-45.7	175.5	177.8	82.2	0	0	0	111.9	L76 C79 C82 S98 F99 H104 R105 F106 H107	L76-H102 HydrophobicContact CB-CB 4.15Å; L76-H102 HydrophobicContact CD1-CB 3.69Å; C79-H102 WeakPolarHBondContact CB-NE2 3.46Å; C79-H102 PolarHBondContact SG-CD2 3Å; C79-H102 PolarHBondContact SG-NE2 2.95Å; C82-H102 PolarHBondContact SG-NE2 2.88Å; S98-H102 WeakPolarHBondContact O-CB 3.34Å; S98-H102 PolarHBondContact O-N 3.32Å; F99-H102 PolarHBondContact O-N 3.07Å; H102-H104 VanDerWaalsContact C-N 3.35Å; H102-H104 PolarHBondContact O-N 2.99Å; H102-R105 PolarHBondContact O-N 3.08Å; H102-F106 AromaticContact CE1-CD2 3.47Å; H102-F106 VanDerWaalsContact CE1-CD2 3.47Å; H102-F106 WeakPolarHBondContact CE1-CD2 3.43Å; H102-F106 AromaticContact CE1-CG 3.96Å; H102-F106 AromaticContact ND1-CD2 3.27Å; H102-F106 VanDerWaalsContact ND1-CD2 3.27Å; H102-F106 WeakPolarHBondContact ND1-CD2 3.38Å; H102-F106 AromaticContact ND1-CE2 3.68Å; H102-F106 WeakPolarHBondContact O-CD2 3.4Å; H102-F106 PolarHBondContact O-N 2.9Å; H102-H107 AromaticContact NE2-CD2 3.95Å; H102-H107 AromaticContact NE2-NE2 3.88Å
103	V	74.9	Confident	70.8	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-43.4	174.4	167.6	0	0	0	0	111.3	F81 F99 N100 R105 H107 I110	F81-V103 HydrophobicContact CD2-CG2 4.22Å; F81-V103 HydrophobicContact CE2-CG2 3.96Å; F99-V103 HydrophobicContact CD1-CG2 4.06Å; F99-V103 HydrophobicContact CE1-CG2 3.52Å; F99-V103 HydrophobicContact CE2-CG2 4.06Å; F99-V103 HydrophobicContact CZ-CG2 3.52Å; F99-V103 WeakPolarHBondContact O-CG2 3.26Å; F99-V103 PolarHBondContact O-N 3.4Å; N100-V103 PolarHBondContact O-N 2.83Å; V103-R105 VanDerWaalsContact C-N 3.28Å; V103-R105 PolarHBondContact O-N 3.34Å; V103-H107 HydrophobicContact CG1-CB 4.26Å; V103-H107 CarbonylContact O-C 3.08Å; V103-H107 VanDerWaalsContact O-CA 3.25Å; V103-H107 WeakPolarHBondContact O-CA 3.44Å; V103-H107 PolarHBondContact O-N 3.44Å; V103-I110 HydrophobicContact CG1-CB 3.97Å; V103-I110 HydrophobicContact CG1-CD1 4.13Å; V103-I110 HydrophobicContact CG1-CG2 4.2Å
104	H	77.1	Confident	71.1	Confident	150 Å²	150	54.6 Å²	54.6	69%	0.694	27%	0.265	S	S	*	.	H	α-helix	trans	-65.6	-28.3	177.7	-167.9	-47.7	0	0	0	113.1	N100 H102	N100-H104 VanDerWaalsContact O-CB 3.24Å; N100-H104 WeakPolarHBondContact O-CB 3.09Å; N100-H104 PolarHBondContact O-N 3.46Å; H102-H104 VanDerWaalsContact C-N 3.35Å; H102-H104 PolarHBondContact O-N 2.99Å
105	R	77.7	Confident	71.4	Confident	138 Å²	138	53.7 Å²	53.7	52%	0.521	26%	0.261	S	S	.	.	H	α-helix	trans	-86.6	-40.6	178.4	-75.5	-179.8	178.2	-164	-0.2	113.6	E74 T101 H102 V103	E74-R105 IonicContact OE1-NH1 3.76Å; T101-R105 WeakPolarHBondContact O-CB 3.17Å; T101-R105 WeakPolarHBondContact O-CG 3.45Å; T101-R105 PolarHBondContact O-N 3.39Å; H102-R105 PolarHBondContact O-N 3.08Å; V103-R105 VanDerWaalsContact C-N 3.28Å; V103-R105 PolarHBondContact O-N 3.34Å
106	F	72.7	Confident	71.1	Confident	108 Å²	108	53.4 Å²	53.4	47%	0.474	26%	0.264	S	S	.	.	H	α-helix	trans	-113.8	-16.2	-168.8	-64	-80.2	0	0	0	114.6	E74 H102 P108	E74-F106 WeakPolarHBondContact O-CE2 3.44Å; H102-F106 AromaticContact CE1-CD2 3.47Å; H102-F106 VanDerWaalsContact CE1-CD2 3.47Å; H102-F106 WeakPolarHBondContact CE1-CD2 3.43Å; H102-F106 AromaticContact CE1-CG 3.96Å; H102-F106 AromaticContact ND1-CD2 3.27Å; H102-F106 VanDerWaalsContact ND1-CD2 3.27Å; H102-F106 WeakPolarHBondContact ND1-CD2 3.38Å; H102-F106 AromaticContact ND1-CE2 3.68Å; H102-F106 WeakPolarHBondContact O-CD2 3.4Å; H102-F106 PolarHBondContact O-N 2.9Å; F106-P108 VanDerWaalsContact C-CD 3.46Å
107	H	72.6	Confident	70.4	Confident	13 Å²	13	58 Å²	58	6%	0.06	28%	0.282	C	S	.	.			trans	-133.8	51.7	-176.5	-60.2	-64.2	0	0	0	113.5	F81 C82 H102 V103 E109 I110	F81-H107 VanDerWaalsContact C-CE1 3.47Å; F81-H107 WeakPolarHBondContact CB-CE1 3.27Å; F81-H107 WeakPolarHBondContact CB-ND1 3.43Å; F81-H107 HydrophobicContact CD2-CB 4.41Å; F81-H107 PolarHBondContact O-CE1 3.18Å; C82-H107 PolarHBondContact SG-NE2 3.35Å; C82-H107 VanDerWaalsContact SG-NE2 3.37Å; H102-H107 AromaticContact NE2-CD2 3.95Å; H102-H107 AromaticContact NE2-NE2 3.88Å; V103-H107 HydrophobicContact CG1-CB 4.26Å; V103-H107 CarbonylContact O-C 3.08Å; V103-H107 VanDerWaalsContact O-CA 3.25Å; V103-H107 WeakPolarHBondContact O-CA 3.44Å; V103-H107 PolarHBondContact O-N 3.44Å; H107-E109 WeakPolarHBondContact CA-OE1 3.16Å; H107-E109 VanDerWaalsContact CA-OE2 3.28Å; H107-E109 WeakPolarHBondContact CA-OE2 3.37Å; H107-E109 WeakPolarHBondContact CB-OE1 3.42Å; H107-E109 IonicContact CG-OE1 3.61Å; H107-E109 IonicContact ND1-OE1 2.71Å; H107-E109 PolarHBondContact ND1-OE1 3.49Å; H107-E109 VanDerWaalsContact ND1-OE1 3.17Å; H107-E109 PolarHBondContact O-N 3.47Å; H107-E109 VanDerWaalsContact O-N 3.08Å; H107-I110 HydrophobicContact CB-CD1 3.74Å; H107-I110 HydrophobicContact CB-CG1 4.14Å; H107-I110 WeakPolarHBondContact O-CB 3.41Å; H107-I110 PolarHBondContact O-N 3.08Å
108	P	74.7	Confident	70	Confident	92 Å²	92	53.9 Å²	53.9	60%	0.597	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.5	-176.7	30.3	-37.9	0	0	0	114.5	F106 I110	F106-P108 VanDerWaalsContact C-CD 3.46Å; P108-I110 PolarHBondContact O-N 2.76Å
109	E	63	Low	69.7	Low	113 Å²	113	56.9 Å²	56.9	53%	0.528	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.4	169.7	66.4	-77.7	179.4	0	0	113.5	H107 K111	H107-E109 WeakPolarHBondContact CA-OE1 3.16Å; H107-E109 VanDerWaalsContact CA-OE2 3.28Å; H107-E109 WeakPolarHBondContact CA-OE2 3.37Å; H107-E109 WeakPolarHBondContact CB-OE1 3.42Å; H107-E109 IonicContact CG-OE1 3.61Å; H107-E109 IonicContact ND1-OE1 2.71Å; H107-E109 PolarHBondContact ND1-OE1 3.49Å; H107-E109 VanDerWaalsContact ND1-OE1 3.17Å; H107-E109 PolarHBondContact O-N 3.47Å; H107-E109 VanDerWaalsContact O-N 3.08Å; E109-K111 PolarHBondContact O-N 3.39Å; E109-K111 VanDerWaalsContact O-N 3.15Å
110	I	67.3	Low	69.3	Low	9 Å²	9	60.8 Å²	60.8	5%	0.046	30%	0.301	C	S	.	.			trans	-80.8	97.3	-175	-60.4	-178.1	0	0	0	111.1	F81 V103 H107 P108 Y113 C125 L155	F81-I110 HydrophobicContact CD1-CD1 4.29Å; F81-I110 HydrophobicContact CD2-CD1 3.39Å; F81-I110 HydrophobicContact CE1-CD1 4.19Å; F81-I110 HydrophobicContact CE2-CD1 3.23Å; F81-I110 HydrophobicContact CG-CD1 3.93Å; F81-I110 HydrophobicContact CZ-CD1 3.68Å; V103-I110 HydrophobicContact CG1-CB 3.97Å; V103-I110 HydrophobicContact CG1-CD1 4.13Å; V103-I110 HydrophobicContact CG1-CG2 4.2Å; H107-I110 HydrophobicContact CB-CD1 3.74Å; H107-I110 HydrophobicContact CB-CG1 4.14Å; H107-I110 WeakPolarHBondContact O-CB 3.41Å; H107-I110 PolarHBondContact O-N 3.08Å; P108-I110 PolarHBondContact O-N 2.76Å; I110-Y113 HydrophobicContact CG2-CD1 4.43Å; I110-Y113 HydrophobicContact CG2-CE1 3.69Å; I110-C125 WeakPolarHBondContact O-CB 3.46Å; I110-L155 HydrophobicContact CD1-CD1 3.67Å; I110-L155 HydrophobicContact CG1-CD1 3.9Å; I110-L155 HydrophobicContact CG1-CD2 4.36Å; I110-L155 HydrophobicContact CG2-CD2 3.85Å
111	K	68.8	Low	68.8	Low	140 Å²	140	64 Å²	64	61%	0.609	32%	0.317	S	S	*	.			trans	-102.9	-13.2	-179.9	-64	179.7	-178.5	177.8	0	115	E109 S124 L159	E109-K111 PolarHBondContact O-N 3.39Å; E109-K111 VanDerWaalsContact O-N 3.15Å; K111-S124 CarbonylContact O-C 3.59Å; K111-L159 HydrophobicContact CD-CD1 4.43Å
112	S	72	Confident	68.9	Low	24 Å²	24	63 Å²	63	17%	0.168	31%	0.31	C	S	.	.			trans	-162.6	153.8	-176.7	59	0	0	0	0	111.9	I122 S124 L155	S112-I122 WeakPolarHBondContact CA-O 3.32Å; S112-I122 WeakPolarHBondContact CB-O 3.47Å; S112-S124 WeakPolarHBondContact CA-O 3.3Å; S112-L155 WeakPolarHBondContact O-CD2 3.39Å
113	Y	69.2	Low	68.8	Low	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.5	175.7	-56.6	-81.5	0	0	0	111	I110 I122 S124 C125 K126 L130 I153 L155	I110-Y113 HydrophobicContact CG2-CD1 4.43Å; I110-Y113 HydrophobicContact CG2-CE1 3.69Å; Y113-I122 PolarHBondContact N-O 2.82Å; Y113-I122 WeakPolarHBondContact O-CB 3.2Å; Y113-I122 PolarHBondContact O-N 3.42Å; Y113-S124 VanDerWaalsContact CD2-O 3.3Å; Y113-S124 WeakPolarHBondContact CD2-O 3.14Å; Y113-S124 WeakPolarHBondContact CE2-O 3Å; Y113-C125 VanDerWaalsContact CE2-C 3.5Å; Y113-C125 VanDerWaalsContact CE2-O 3.28Å; Y113-C125 WeakPolarHBondContact CE2-O 3.44Å; Y113-C125 PolarHBondContact OH-O 3.02Å; Y113-K126 WeakPolarHBondContact CE2-O 3.16Å; Y113-L130 HydrophobicContact CG-CD2 4.3Å; Y113-I153 HydrophobicContact CD1-CB 4.5Å; Y113-I153 HydrophobicContact CD1-CD1 3.83Å; Y113-I153 HydrophobicContact CD1-CG1 3.92Å; Y113-I153 HydrophobicContact CD1-CG2 3.79Å; Y113-I153 HydrophobicContact CE1-CD1 3.94Å; Y113-I153 HydrophobicContact CE1-CG2 4.47Å; Y113-L155 HydrophobicContact CD1-CD2 4.03Å; Y113-L155 HydrophobicContact CE1-CD2 4.36Å
114	M	63	Low	68.9	Low	23 Å²	23	71.7 Å²	71.7	11%	0.113	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.7	168.4	-174.1	167.8	59.5	0	0	110.6	S116 L119 L121 K154 Y156	M114-S116 PolarHBondContact O-N 3.4Å; M114-L119 HydrophobicContact CE-CD2 4.16Å; M114-L119 HydrophobicContact CG-CB 4.34Å; M114-L119 HydrophobicContact CG-CD2 4.42Å; M114-L119 HydrophobicContact SD-CB 3.97Å; M114-L119 HydrophobicContact SD-CD2 4.08Å; M114-L121 HydrophobicContact CB-CD1 4.45Å; M114-K154 HydrophobicContact CB-CB 4.37Å; M114-K154 WeakPolarHBondContact CB-O 3.44Å; M114-K154 HydrophobicContact CE-CB 3.49Å; M114-K154 VanDerWaalsContact CE-CB 3.49Å; M114-K154 HydrophobicContact CE-CD 3.69Å; M114-K154 HydrophobicContact CE-CG 4.2Å; M114-K154 PolarHBondContact N-O 3.25Å; M114-K154 VanDerWaalsContact N-O 3.12Å; M114-K154 PolarHBondContact O-N 3.15Å; M114-Y156 HydrophobicContact CE-CE2 4.04Å; M114-Y156 HydrophobicContact SD-CE2 4.15Å
115	C	69	Low	68.6	Low	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	110.9	178.1	179	0	0	0	0	111.1	Y117 C118 L119 N120 I122 L130 H133	C115-Y117 PolarHBondContact O-N 3.34Å; C115-C118 PolarHBondContact O-N 2.63Å; C115-L119 VanDerWaalsContact O-CA 3.29Å; C115-L119 WeakPolarHBondContact O-CA 3.46Å; C115-L119 PolarHBondContact O-N 2.94Å; C115-N120 PolarHBondContact N-O 2.95Å; C115-I122 HydrophobicContact CB-CD1 4.48Å; C115-L130 HydrophobicContact CB-CD1 3.86Å; C115-H133 PolarHBondContact SG-CD2 2.89Å
116	S	59.8	Low	68.6	Low	42 Å²	42	65.6 Å²	65.6	29%	0.294	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-31.9	178.5	58	0	0	0	0	115.9	M114 F151 L152	M114-S116 PolarHBondContact O-N 3.4Å; S116-F151 WeakPolarHBondContact CB-O 3.5Å; S116-L152 PolarHBondContact N-O 3.04Å; S116-L152 WeakPolarHBondContact OG-CA 3.47Å; S116-L152 VanDerWaalsContact OG-CD2 3.28Å; S116-L152 WeakPolarHBondContact OG-CD2 3.12Å; S116-L152 PolarHBondContact OG-O 2.88Å
117	Y	55.9	Low	68.9	Low	104 Å²	104	60.4 Å²	60.4	41%	0.408	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.6	-173.9	-61.8	-68.5	0	0	0	115.2	C115 I134 H138 I140 L152	C115-Y117 PolarHBondContact O-N 3.34Å; Y117-I134 HydrophobicContact CD2-CD1 4.49Å; Y117-I134 HydrophobicContact CD2-CG1 4.17Å; Y117-I134 HydrophobicContact CD2-CG2 4.4Å; Y117-I134 HydrophobicContact CE2-CD1 4.28Å; Y117-I134 HydrophobicContact CE2-CG1 4.27Å; Y117-I134 HydrophobicContact CE2-CG2 3.97Å; Y117-H138 WeakPolarHBondContact CB-CE1 3.24Å; Y117-H138 WeakPolarHBondContact CB-ND1 3.45Å; Y117-H138 PolarHBondContact O-CE1 3.25Å; Y117-I140 HydrophobicContact CD1-CD1 4.13Å; Y117-I140 HydrophobicContact CD2-CD1 4.21Å; Y117-I140 HydrophobicContact CE1-CD1 3.64Å; Y117-I140 HydrophobicContact CE2-CD1 3.71Å; Y117-I140 HydrophobicContact CG-CD1 4.39Å; Y117-L152 HydrophobicContact CD2-CD2 4.28Å; Y117-L152 HydrophobicContact CE1-CD2 4.3Å; Y117-L152 HydrophobicContact CE2-CD2 3.49Å; Y117-L152 VanDerWaalsContact CE2-CD2 3.49Å; Y117-L152 VanDerWaalsContact CZ-CD2 3.49Å; Y117-L152 WeakPolarHBondContact OH-CD2 3.44Å
118	C	62	Low	69.2	Low	48 Å²	48	60.7 Å²	60.7	32%	0.324	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	-1.5	-179.4	57.3	0	0	0	0	114.8	C115 N120 H133 H138	C115-C118 PolarHBondContact O-N 2.63Å; C118-N120 PolarHBondContact O-N 2.85Å; C118-N120 VanDerWaalsContact O-N 3.13Å; C118-N120 PolarHBondContact SG-ND2 3.15Å; C118-H133 PolarHBondContact SG-NE2 2.99Å; C118-H138 PolarHBondContact SG-NE2 3Å
119	L	60.7	Low	69.5	Low	108 Å²	108	58.7 Å²	58.7	57%	0.565	30%	0.298	S	S	*	.			trans	58.9	16.1	-175.8	-50.1	179.9	0	0	0	115.1	M114 C115 L121	M114-L119 HydrophobicContact CE-CD2 4.16Å; M114-L119 HydrophobicContact CG-CB 4.34Å; M114-L119 HydrophobicContact CG-CD2 4.42Å; M114-L119 HydrophobicContact SD-CB 3.97Å; M114-L119 HydrophobicContact SD-CD2 4.08Å; C115-L119 VanDerWaalsContact O-CA 3.29Å; C115-L119 WeakPolarHBondContact O-CA 3.46Å; C115-L119 PolarHBondContact O-N 2.94Å; L119-L121 PolarHBondContact O-N 3.45Å
120	N	67	Low	70.3	Confident	83 Å²	83	53.3 Å²	53.3	44%	0.444	27%	0.273	S	S	.	.			trans	-64.4	128.4	170	-80.7	-65.6	0	0	0	110.4	C115 C118	C115-N120 PolarHBondContact N-O 2.95Å; C118-N120 PolarHBondContact O-N 2.85Å; C118-N120 VanDerWaalsContact O-N 3.13Å; C118-N120 PolarHBondContact SG-ND2 3.15Å
121	L	67.4	Low	70.9	Confident	90 Å²	90	53 Å²	53	47%	0.471	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.3	171.7	-172.5	69.1	0	0	0	109.8	M114 L119	M114-L121 HydrophobicContact CB-CD1 4.45Å; L119-L121 PolarHBondContact O-N 3.45Å
122	I	76.9	Confident	71.3	Confident	22 Å²	22	47.1 Å²	47.1	11%	0.113	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	109	178.8	-58.5	176.7	0	0	0	107.2	S112 Y113 C115 S124 D129 L130 H133	S112-I122 WeakPolarHBondContact CA-O 3.32Å; S112-I122 WeakPolarHBondContact CB-O 3.47Å; Y113-I122 PolarHBondContact N-O 2.82Å; Y113-I122 WeakPolarHBondContact O-CB 3.2Å; Y113-I122 PolarHBondContact O-N 3.42Å; C115-I122 HydrophobicContact CB-CD1 4.48Å; I122-S124 PolarHBondContact O-N 3.43Å; I122-D129 HydrophobicContact CG2-CB 3.86Å; I122-L130 HydrophobicContact CD1-CB 4.06Å; I122-L130 HydrophobicContact CD1-CD1 3.65Å; I122-L130 HydrophobicContact CD1-CG 4.47Å; I122-H133 HydrophobicContact CD1-CB 3.46Å; I122-H133 VanDerWaalsContact CD1-CB 3.46Å
123	Q	73.8	Confident	71.6	Confident	176 Å²	176	47.5 Å²	47.5	82%	0.822	25%	0.247	S	C	*	.			trans	-77.6	60.3	-176	-65.3	177.7	-25.5	0	0	111.6
124	S	76.1	Confident	71.5	Confident	22 Å²	22	47.5 Å²	47.5	15%	0.154	25%	0.247	C	C	.	.			trans	-147.4	139.9	175.9	-178.5	0	0	0	0	109.8	K111 S112 Y113 I122 K126 D129	K111-S124 CarbonylContact O-C 3.59Å; S112-S124 WeakPolarHBondContact CA-O 3.3Å; Y113-S124 VanDerWaalsContact CD2-O 3.3Å; Y113-S124 WeakPolarHBondContact CD2-O 3.14Å; Y113-S124 WeakPolarHBondContact CE2-O 3Å; I122-S124 PolarHBondContact O-N 3.43Å; S124-K126 PolarHBondContact OG-N 2.73Å; S124-K126 VanDerWaalsContact OG-N 3.13Å; S124-D129 WeakPolarHBondContact CB-OD2 3.26Å; S124-D129 PolarHBondContact OG-OD2 2.97Å
125	C	71.6	Confident	72	Confident	65 Å²	65	46.5 Å²	46.5	44%	0.439	24%	0.242	S	C	.	.	S	Bend	trans	-76.2	-11.6	169.6	57.5	0	0	0	0	112.8	I110 Y113	I110-C125 WeakPolarHBondContact O-CB 3.46Å; Y113-C125 VanDerWaalsContact CE2-C 3.5Å; Y113-C125 VanDerWaalsContact CE2-O 3.28Å; Y113-C125 WeakPolarHBondContact CE2-O 3.44Å; Y113-C125 PolarHBondContact OH-O 3.02Å
126	K	77.8	Confident	72.1	Confident	95 Å²	95	48.5 Å²	48.5	41%	0.413	25%	0.253	S	S	.	.			trans	-87.4	134.5	-179.6	-52.4	-167.1	-174.6	176.3	0	112.5	N100 Y113 S124 E128	N100-K126 WeakPolarHBondContact OD1-CA 2.91Å; Y113-K126 WeakPolarHBondContact CE2-O 3.16Å; S124-K126 PolarHBondContact OG-N 2.73Å; S124-K126 VanDerWaalsContact OG-N 3.13Å; K126-E128 VanDerWaalsContact C-N 3.29Å; K126-E128 HydrophobicContact CB-CG 3.93Å; K126-E128 HydrophobicContact CD-CG 4.01Å; K126-E128 WeakPolarHBondContact CD-OE1 3.41Å; K126-E128 WeakPolarHBondContact CD-OE2 3.24Å; K126-E128 IonicContact NZ-OE1 3.28Å; K126-E128 PolarHBondContact NZ-OE1 3.07Å; K126-E128 PolarHBondContact O-N 2.77Å
127	I	78.1	Confident	72.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.3	-26.9	178.1	-161.2	164.8	0	0	0	112.3	I96 F99 N100 D129 L130 V131 W142 L149 I153	I96-I127 HydrophobicContact CG2-CG2 3.94Å; F99-I127 HydrophobicContact CD1-CB 3.96Å; F99-I127 HydrophobicContact CD1-CD1 3.91Å; F99-I127 HydrophobicContact CD1-CG2 3.78Å; F99-I127 HydrophobicContact CE1-CB 4.1Å; F99-I127 HydrophobicContact CE1-CD1 3.69Å; F99-I127 HydrophobicContact CE1-CG1 4.44Å; F99-I127 HydrophobicContact CE1-CG2 4.42Å; F99-I127 HydrophobicContact CZ-CD1 4.38Å; N100-I127 PolarHBondContact OD1-N 2.86Å; I127-D129 PolarHBondContact O-N 2.6Å; I127-D129 VanDerWaalsContact O-N 3.08Å; I127-L130 HydrophobicContact CG1-CD2 4.4Å; I127-L130 WeakPolarHBondContact O-CA 3.06Å; I127-L130 WeakPolarHBondContact O-CB 3.17Å; I127-L130 PolarHBondContact O-N 3.18Å; I127-V131 HydrophobicContact CG1-CG2 4.35Å; I127-V131 WeakPolarHBondContact O-CG2 3.12Å; I127-V131 PolarHBondContact O-N 2.81Å; I127-W142 HydrophobicContact CD1-CH2 3.78Å; I127-W142 HydrophobicContact CD1-CZ2 3.9Å; I127-W142 HydrophobicContact CG1-CH2 4.21Å; I127-W142 HydrophobicContact CG1-CZ2 4.39Å; I127-L149 HydrophobicContact CD1-CD1 4.22Å; I127-L149 HydrophobicContact CD1-CD2 3.5Å; I127-L149 HydrophobicContact CD1-CG 3.81Å; I127-I153 HydrophobicContact CD1-CD1 4.12Å
128	E	78.7	Confident	73.2	Confident	19 Å²	19	47.5 Å²	47.5	9%	0.089	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-27.6	180	68.5	-142.1	-139.7	0	0	114.1	Q64 I96 N100 K126 S132	Q64-E128 HydrophobicContact CG-CB 4.31Å; Q64-E128 HydrophobicContact CG-CG 4.23Å; I96-E128 HydrophobicContact CG2-CB 4Å; N100-E128 PolarHBondContact ND2-OE2 3.23Å; K126-E128 VanDerWaalsContact C-N 3.29Å; K126-E128 HydrophobicContact CB-CG 3.93Å; K126-E128 HydrophobicContact CD-CG 4.01Å; K126-E128 WeakPolarHBondContact CD-OE1 3.41Å; K126-E128 WeakPolarHBondContact CD-OE2 3.24Å; K126-E128 IonicContact NZ-OE1 3.28Å; K126-E128 PolarHBondContact NZ-OE1 3.07Å; K126-E128 PolarHBondContact O-N 2.77Å; E128-S132 VanDerWaalsContact O-CB 3.23Å; E128-S132 WeakPolarHBondContact O-CB 3.25Å; E128-S132 PolarHBondContact O-N 2.73Å; E128-S132 PolarHBondContact O-OG 3.27Å
129	D	82.2	Confident	73.5	Confident	49 Å²	49	51.5 Å²	51.5	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-77.3	-35.4	176.3	-62.1	-48.3	0	0	0	111.8	I122 S124 I127 S132 H133	I122-D129 HydrophobicContact CG2-CB 3.86Å; S124-D129 WeakPolarHBondContact CB-OD2 3.26Å; S124-D129 PolarHBondContact OG-OD2 2.97Å; I127-D129 PolarHBondContact O-N 2.6Å; I127-D129 VanDerWaalsContact O-N 3.08Å; D129-S132 PolarHBondContact O-N 2.78Å; D129-H133 VanDerWaalsContact O-CB 3.28Å; D129-H133 WeakPolarHBondContact O-CB 3.38Å; D129-H133 PolarHBondContact O-N 3.13Å
130	L	79.7	Confident	73.4	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-41.9	168.7	176.5	66	0	0	0	111.6	Y113 C115 I122 I127 H133 I134 I153	Y113-L130 HydrophobicContact CG-CD2 4.3Å; C115-L130 HydrophobicContact CB-CD1 3.86Å; I122-L130 HydrophobicContact CD1-CB 4.06Å; I122-L130 HydrophobicContact CD1-CD1 3.65Å; I122-L130 HydrophobicContact CD1-CG 4.47Å; I127-L130 HydrophobicContact CG1-CD2 4.4Å; I127-L130 WeakPolarHBondContact O-CA 3.06Å; I127-L130 WeakPolarHBondContact O-CB 3.17Å; I127-L130 PolarHBondContact O-N 3.18Å; L130-H133 PolarHBondContact O-N 2.88Å; L130-I134 HydrophobicContact CD1-CD1 3.94Å; L130-I134 HydrophobicContact CD1-CG1 4.25Å; L130-I134 HydrophobicContact CG-CD1 3.93Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.5Å; L130-I134 PolarHBondContact O-N 3.29Å; L130-I153 HydrophobicContact CD2-CD1 4.16Å; L130-I153 HydrophobicContact CD2-CG1 3.54Å
131	V	78.7	Confident	73.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-48.4	174.1	179.9	0	0	0	0	110.6	L63 I96 I127 H133 I134 I135 W142	L63-V131 HydrophobicContact CD1-CG1 3.93Å; I96-V131 HydrophobicContact CD1-CG2 4.3Å; I127-V131 HydrophobicContact CG1-CG2 4.35Å; I127-V131 WeakPolarHBondContact O-CG2 3.12Å; I127-V131 PolarHBondContact O-N 2.81Å; V131-H133 VanDerWaalsContact C-N 3.3Å; V131-H133 PolarHBondContact O-N 3.43Å; V131-I134 PolarHBondContact O-N 3.32Å; V131-I135 HydrophobicContact CG1-CD1 3.75Å; V131-I135 HydrophobicContact CG1-CG1 4.47Å; V131-I135 WeakPolarHBondContact O-CG1 3.36Å; V131-I135 PolarHBondContact O-N 2.64Å; V131-W142 HydrophobicContact CB-CD2 4.44Å; V131-W142 HydrophobicContact CB-CE3 4.14Å; V131-W142 HydrophobicContact CB-CZ3 4.43Å; V131-W142 HydrophobicContact CG1-CB 4.25Å; V131-W142 HydrophobicContact CG1-CD2 4.19Å; V131-W142 HydrophobicContact CG1-CE3 3.73Å; V131-W142 HydrophobicContact CG1-CG 4.44Å; V131-W142 HydrophobicContact CG1-CZ3 4.36Å; V131-W142 HydrophobicContact CG2-CD2 3.7Å; V131-W142 HydrophobicContact CG2-CE3 3.29Å; V131-W142 HydrophobicContact CG2-CH2 3.58Å; V131-W142 HydrophobicContact CG2-CZ2 3.99Å; V131-W142 HydrophobicContact CG2-CZ3 3.21Å
132	S	78.5	Confident	72.7	Confident	17 Å²	17	46.6 Å²	46.6	12%	0.119	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-38.5	177.9	-62.7	0	0	0	0	111.8	E128 D129 N136	E128-S132 VanDerWaalsContact O-CB 3.23Å; E128-S132 WeakPolarHBondContact O-CB 3.25Å; E128-S132 PolarHBondContact O-N 2.73Å; E128-S132 PolarHBondContact O-OG 3.27Å; D129-S132 PolarHBondContact O-N 2.78Å; S132-N136 VanDerWaalsContact O-CB 3.23Å; S132-N136 WeakPolarHBondContact O-CB 3.22Å; S132-N136 PolarHBondContact O-N 3.31Å; S132-N136 PolarHBondContact O-ND2 3.11Å
133	H	77.1	Confident	71.9	Confident	33 Å²	33	51.4 Å²	51.4	15%	0.153	26%	0.256	C	S	.	.	H	α-helix	trans	-64.1	-49.3	172.9	177.9	104.1	0	0	0	112.1	C115 C118 I122 D129 L130 V131 I135 N136 I137 H138	C115-H133 PolarHBondContact SG-CD2 2.89Å; C118-H133 PolarHBondContact SG-NE2 2.99Å; I122-H133 HydrophobicContact CD1-CB 3.46Å; I122-H133 VanDerWaalsContact CD1-CB 3.46Å; D129-H133 VanDerWaalsContact O-CB 3.28Å; D129-H133 WeakPolarHBondContact O-CB 3.38Å; D129-H133 PolarHBondContact O-N 3.13Å; L130-H133 PolarHBondContact O-N 2.88Å; V131-H133 VanDerWaalsContact C-N 3.3Å; V131-H133 PolarHBondContact O-N 3.43Å; H133-I135 VanDerWaalsContact C-N 3.35Å; H133-I135 PolarHBondContact O-N 3.5Å; H133-N136 PolarHBondContact O-N 2.74Å; H133-I137 VanDerWaalsContact O-CB 3.25Å; H133-I137 WeakPolarHBondContact O-CB 3.42Å; H133-I137 WeakPolarHBondContact O-CG1 3.41Å; H133-I137 PolarHBondContact O-N 3.47Å; H133-H138 AromaticContact NE2-CD2 3.94Å; H133-H138 AromaticContact NE2-NE2 3.73Å
134	I	68.8	Low	71.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-61.8	-42.7	-179.5	-69.1	168.4	0	0	0	111.1	Y117 L130 V131 H138 K139 I140 W142 L152	Y117-I134 HydrophobicContact CD2-CD1 4.49Å; Y117-I134 HydrophobicContact CD2-CG1 4.17Å; Y117-I134 HydrophobicContact CD2-CG2 4.4Å; Y117-I134 HydrophobicContact CE2-CD1 4.28Å; Y117-I134 HydrophobicContact CE2-CG1 4.27Å; Y117-I134 HydrophobicContact CE2-CG2 3.97Å; L130-I134 HydrophobicContact CD1-CD1 3.94Å; L130-I134 HydrophobicContact CD1-CG1 4.25Å; L130-I134 HydrophobicContact CG-CD1 3.93Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.5Å; L130-I134 PolarHBondContact O-N 3.29Å; V131-I134 PolarHBondContact O-N 3.32Å; I134-H138 CarbonylContact O-C 3.29Å; I134-H138 WeakPolarHBondContact O-CA 3.12Å; I134-H138 WeakPolarHBondContact O-CB 3.38Å; I134-H138 PolarHBondContact O-N 3.08Å; I134-H138 VanDerWaalsContact O-N 3.12Å; I134-K139 PolarHBondContact O-N 3.26Å; I134-I140 HydrophobicContact CG2-CB 3.87Å; I134-I140 HydrophobicContact CG2-CG2 4.21Å; I134-I140 PolarHBondContact O-N 3.44Å; I134-W142 HydrophobicContact CG2-CB 4.33Å; I134-L152 HydrophobicContact CD1-CD1 4.39Å
135	I	71.9	Confident	70.4	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.213	C	C	.	.	I	π-helix	trans	-67	-47.4	177	-67.5	171.4	0	0	0	111.1	W44 G56 L59 L63 V131 H133 K139 W142	W44-I135 HydrophobicContact CE3-CG2 4.24Å; W44-I135 HydrophobicContact CZ3-CG2 3.95Å; G56-I135 VanDerWaalsContact O-CG2 3.3Å; G56-I135 WeakPolarHBondContact O-CG2 3.44Å; L59-I135 HydrophobicContact CD2-CD1 4.24Å; L63-I135 HydrophobicContact CD1-CD1 3.72Å; V131-I135 HydrophobicContact CG1-CD1 3.75Å; V131-I135 HydrophobicContact CG1-CG1 4.47Å; V131-I135 WeakPolarHBondContact O-CG1 3.36Å; V131-I135 PolarHBondContact O-N 2.64Å; H133-I135 VanDerWaalsContact C-N 3.35Å; H133-I135 PolarHBondContact O-N 3.5Å; I135-K139 VanDerWaalsContact O-CA 3.28Å; I135-K139 WeakPolarHBondContact O-CA 3.35Å; I135-K139 PolarHBondContact O-N 3.29Å; I135-W142 HydrophobicContact CG1-CB 4.44Å
136	N	72.8	Confident	69.7	Low	42 Å²	42	40 Å²	40	23%	0.225	20%	0.196	C	C	.	.	I	π-helix	trans	-82.6	-33.6	-172.2	-72.2	-69.3	0	0	0	114.3	F57 S60 S132 H133 K139	F57-N136 WeakPolarHBondContact CA-OD1 3.49Å; S60-N136 PolarHBondContact OG-ND2 2.76Å; S132-N136 VanDerWaalsContact O-CB 3.23Å; S132-N136 WeakPolarHBondContact O-CB 3.22Å; S132-N136 PolarHBondContact O-N 3.31Å; S132-N136 PolarHBondContact O-ND2 3.11Å; H133-N136 PolarHBondContact O-N 2.74Å; N136-K139 WeakPolarHBondContact O-CE 3.46Å; N136-K139 PolarHBondContact O-NZ 3.35Å
137	I	71.8	Confident	68.6	Low	71 Å²	71	36.8 Å²	36.8	36%	0.364	19%	0.19	S	C	.	.	I	π-helix	trans	-90.2	-52.3	-180	-55.5	-57.7	0	0	0	111	H133	H133-I137 VanDerWaalsContact O-CB 3.25Å; H133-I137 WeakPolarHBondContact O-CB 3.42Å; H133-I137 WeakPolarHBondContact O-CG1 3.41Å; H133-I137 PolarHBondContact O-N 3.47Å
138	H	66.6	Low	67.6	Low	54 Å²	54	41.7 Å²	41.7	25%	0.25	21%	0.211	C	C	.	.	I	π-helix	trans	-89.9	-10.9	-173.8	-65.7	-78.2	0	0	0	114.3	Y117 C118 H133 I134 I140	Y117-H138 WeakPolarHBondContact CB-CE1 3.24Å; Y117-H138 WeakPolarHBondContact CB-ND1 3.45Å; Y117-H138 PolarHBondContact O-CE1 3.25Å; C118-H138 PolarHBondContact SG-NE2 3Å; H133-H138 AromaticContact NE2-CD2 3.94Å; H133-H138 AromaticContact NE2-NE2 3.73Å; I134-H138 CarbonylContact O-C 3.29Å; I134-H138 WeakPolarHBondContact O-CA 3.12Å; I134-H138 WeakPolarHBondContact O-CB 3.38Å; I134-H138 PolarHBondContact O-N 3.08Å; I134-H138 VanDerWaalsContact O-N 3.12Å; H138-I140 HydrophobicContact CB-CD1 3.93Å; H138-I140 HydrophobicContact CB-CG1 4.07Å; H138-I140 PolarHBondContact O-N 3.21Å
139	K	67.2	Low	66.7	Low	132 Å²	132	40.9 Å²	40.9	57%	0.574	21%	0.207	S	C	*	.			trans	57.5	28.3	-176.8	-48.7	-51.9	-170.4	-169.6	0	113.3	W44 I134 I135 N136	W44-K139 HydrophobicContact CH2-CB 4.5Å; I134-K139 PolarHBondContact O-N 3.26Å; I135-K139 VanDerWaalsContact O-CA 3.28Å; I135-K139 WeakPolarHBondContact O-CA 3.35Å; I135-K139 PolarHBondContact O-N 3.29Å; N136-K139 WeakPolarHBondContact O-CE 3.46Å; N136-K139 PolarHBondContact O-NZ 3.35Å
140	I	58.3	Low	65.4	Low	53 Å²	53	42.8 Å²	42.8	27%	0.272	22%	0.22	S	C	.	.			trans	-95.1	121.9	178.2	-65.5	172.3	0	0	0	108.5	Y117 I134 H138 W142	Y117-I140 HydrophobicContact CD1-CD1 4.13Å; Y117-I140 HydrophobicContact CD2-CD1 4.21Å; Y117-I140 HydrophobicContact CE1-CD1 3.64Å; Y117-I140 HydrophobicContact CE2-CD1 3.71Å; Y117-I140 HydrophobicContact CG-CD1 4.39Å; I134-I140 HydrophobicContact CG2-CB 3.87Å; I134-I140 HydrophobicContact CG2-CG2 4.21Å; I134-I140 PolarHBondContact O-N 3.44Å; H138-I140 HydrophobicContact CB-CD1 3.93Å; H138-I140 HydrophobicContact CB-CG1 4.07Å; H138-I140 PolarHBondContact O-N 3.21Å; I140-W142 PolarHBondContact O-N 2.78Å; I140-W142 VanDerWaalsContact O-N 3.13Å
141	P	60.7	Low	63.9	Low	101 Å²	101	46.8 Å²	46.8	66%	0.656	24%	0.238	S	C	*	.			trans	-63.3	112.1	167.5	-19.3	32.3	0	0	0	109.5	W44	W44-P141 HydrophobicContact CE3-CG 4.44Å; W44-P141 HydrophobicContact CH2-CG 4.47Å; W44-P141 HydrophobicContact CZ3-CB 4.35Å; W44-P141 HydrophobicContact CZ3-CG 3.91Å
142	W	58.7	Low	62.6	Low	25 Å²	25	47.4 Å²	47.4	10%	0.095	24%	0.241	C	C	.	.			trans	-91.4	143.3	-176.9	-170.3	88.5	0	0	0	111.2	I96 I127 V131 I134 I135 I140 P144 L149	I96-W142 HydrophobicContact CD1-CZ3 4.31Å; I96-W142 HydrophobicContact CG1-CZ3 4.24Å; I127-W142 HydrophobicContact CD1-CH2 3.78Å; I127-W142 HydrophobicContact CD1-CZ2 3.9Å; I127-W142 HydrophobicContact CG1-CH2 4.21Å; I127-W142 HydrophobicContact CG1-CZ2 4.39Å; V131-W142 HydrophobicContact CB-CD2 4.44Å; V131-W142 HydrophobicContact CB-CE3 4.14Å; V131-W142 HydrophobicContact CB-CZ3 4.43Å; V131-W142 HydrophobicContact CG1-CB 4.25Å; V131-W142 HydrophobicContact CG1-CD2 4.19Å; V131-W142 HydrophobicContact CG1-CE3 3.73Å; V131-W142 HydrophobicContact CG1-CG 4.44Å; V131-W142 HydrophobicContact CG1-CZ3 4.36Å; V131-W142 HydrophobicContact CG2-CD2 3.7Å; V131-W142 HydrophobicContact CG2-CE3 3.29Å; V131-W142 HydrophobicContact CG2-CH2 3.58Å; V131-W142 HydrophobicContact CG2-CZ2 3.99Å; V131-W142 HydrophobicContact CG2-CZ3 3.21Å; I134-W142 HydrophobicContact CG2-CB 4.33Å; I135-W142 HydrophobicContact CG1-CB 4.44Å; I140-W142 PolarHBondContact O-N 2.78Å; I140-W142 VanDerWaalsContact O-N 3.13Å; W142-P144 HydrophobicContact CE3-CB 4.46Å; W142-P144 HydrophobicContact CH2-CB 3.57Å; W142-P144 HydrophobicContact CH2-CG 4.36Å; W142-P144 HydrophobicContact CZ3-CB 3.52Å; W142-P144 HydrophobicContact CZ3-CG 3.8Å; W142-P144 VanDerWaalsContact CZ3-N 3.34Å; W142-L149 HydrophobicContact CH2-CD1 4.16Å; W142-L149 HydrophobicContact CZ2-CD1 3.8Å
143	R	61.3	Low	61.5	Low	123 Å²	123	47.5 Å²	47.5	46%	0.464	24%	0.24	S	C	.	.			trans	-131.6	126.9	171.9	-168.1	-173	-160.4	-174.6	9.3	108.2	W47 P93 S145	W47-R143 HydrophobicContact CD2-CG 4.49Å; W47-R143 HydrophobicContact CG-CG 4.39Å; P93-R143 HydrophobicContact CB-CG 4.49Å; R143-S145 PolarHBondContact O-N 3.25Å
144	P	58.8	Low	60.1	Low	1 Å²	1	52.6 Å²	52.6	1%	0.006	26%	0.262	C	S	.	.			trans	-64	125.2	171.1	24.7	-28.9	0	0	0	109.2	W47 P93 F94 W142	W47-P144 HydrophobicContact CZ2-CG 4.01Å; P93-P144 WeakPolarHBondContact CA-O 3.49Å; P93-P144 WeakPolarHBondContact CB-O 3.41Å; F94-P144 HydrophobicContact CD2-CB 3.84Å; F94-P144 HydrophobicContact CE2-CB 3.61Å; F94-P144 HydrophobicContact CG-CB 4.45Å; F94-P144 HydrophobicContact CZ-CB 4.08Å; F94-P144 WeakPolarHBondContact O-CB 3.2Å; F94-P144 WeakPolarHBondContact O-CG 3.24Å; W142-P144 HydrophobicContact CE3-CB 4.46Å; W142-P144 HydrophobicContact CH2-CB 3.57Å; W142-P144 HydrophobicContact CH2-CG 4.36Å; W142-P144 HydrophobicContact CZ3-CB 3.52Å; W142-P144 HydrophobicContact CZ3-CG 3.8Å; W142-P144 VanDerWaalsContact CZ3-N 3.34Å
145	S	60.2	Low	58.9	Low	12 Å²	12	55.3 Å²	55.3	8%	0.084	28%	0.276	C	S	.	.			trans	-151.5	150.1	156.2	73.2	0	0	0	0	107.8	R143 G147 K148 L149	R143-S145 PolarHBondContact O-N 3.25Å; S145-G147 VanDerWaalsContact C-N 3.35Å; S145-G147 PolarHBondContact O-N 2.98Å; S145-K148 WeakPolarHBondContact O-CB 3.44Å; S145-K148 PolarHBondContact O-N 2.98Å; S145-L149 VanDerWaalsContact O-CD1 3.29Å; S145-L149 WeakPolarHBondContact O-CD1 3.43Å; S145-L149 PolarHBondContact O-N 3.04Å
146	P	56	Low	57.3	Low	10 Å²	10	62.3 Å²	62.3	7%	0.065	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-43.5	-168.5	-17.3	26.1	0	0	0	112.6	G78 A92 F94 K148 L149 V150	G78-P146 WeakPolarHBondContact O-CB 3.44Å; A92-P146 WeakPolarHBondContact O-CD 3.36Å; F94-P146 HydrophobicContact CD1-CG 4.01Å; F94-P146 HydrophobicContact CE1-CB 4.29Å; F94-P146 HydrophobicContact CE1-CG 3.82Å; P146-K148 PolarHBondContact O-N 3.18Å; P146-K148 VanDerWaalsContact O-N 3.15Å; P146-L149 PolarHBondContact O-N 3.3Å; P146-V150 PolarHBondContact O-N 2.92Å
147	G	54.3	Low	55.4	Low	28 Å²	28	65.1 Å²	65.1	29%	0.289	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-20.1	174.5	0	0	0	0	0	114.9	S145 F151	S145-G147 VanDerWaalsContact C-N 3.35Å; S145-G147 PolarHBondContact O-N 2.98Å; G147-F151 WeakPolarHBondContact O-CD2 3.28Å
148	K	56.9	Low	53.3	Low	102 Å²	102	68.2 Å²	68.2	44%	0.443	34%	0.342	S	S	.	.	H	α-helix	trans	-85.8	-30.3	172.2	-75.3	-179.1	178.9	179.7	0	113.2	S145 P146 F151 L152	S145-K148 WeakPolarHBondContact O-CB 3.44Å; S145-K148 PolarHBondContact O-N 2.98Å; P146-K148 PolarHBondContact O-N 3.18Å; P146-K148 VanDerWaalsContact O-N 3.15Å; K148-F151 PolarHBondContact O-N 3.34Å; K148-L152 WeakPolarHBondContact O-CB 3.45Å; K148-L152 VanDerWaalsContact O-CG 3.25Å; K148-L152 WeakPolarHBondContact O-CG 3.43Å; K148-L152 PolarHBondContact O-N 3.45Å; K148-L152 VanDerWaalsContact O-N 3.17Å
149	L	59.9	Low	51.4	Low	2 Å²	2	72.1 Å²	72.1	1%	0.01	36%	0.364	C	S	.	.	H	α-helix	trans	-65.6	-42.9	178.4	-91.4	71.5	0	0	0	111.5	P80 F94 F99 I127 W142 S145 P146 F151 L152 I153	P80-L149 HydrophobicContact CG-CB 4.14Å; P80-L149 HydrophobicContact CG-CD2 4.38Å; F94-L149 HydrophobicContact CE1-CD1 4.35Å; F94-L149 HydrophobicContact CE2-CD1 4.43Å; F94-L149 HydrophobicContact CE2-CD2 4.45Å; F94-L149 HydrophobicContact CZ-CD1 3.6Å; F94-L149 HydrophobicContact CZ-CD2 3.7Å; F94-L149 HydrophobicContact CZ-CG 4.28Å; F99-L149 HydrophobicContact CD1-CD2 4.38Å; F99-L149 HydrophobicContact CD2-CD2 3.98Å; F99-L149 HydrophobicContact CE1-CD2 3.77Å; F99-L149 HydrophobicContact CE2-CD2 3.31Å; F99-L149 HydrophobicContact CG-CD2 4.47Å; F99-L149 HydrophobicContact CZ-CD2 3.18Å; I127-L149 HydrophobicContact CD1-CD1 4.22Å; I127-L149 HydrophobicContact CD1-CD2 3.5Å; I127-L149 HydrophobicContact CD1-CG 3.81Å; W142-L149 HydrophobicContact CH2-CD1 4.16Å; W142-L149 HydrophobicContact CZ2-CD1 3.8Å; S145-L149 VanDerWaalsContact O-CD1 3.29Å; S145-L149 WeakPolarHBondContact O-CD1 3.43Å; S145-L149 PolarHBondContact O-N 3.04Å; P146-L149 PolarHBondContact O-N 3.3Å; L149-F151 PolarHBondContact O-N 3.29Å; L149-F151 VanDerWaalsContact O-N 3.09Å; L149-L152 PolarHBondContact O-N 2.87Å; L149-I153 HydrophobicContact CB-CD1 4.07Å; L149-I153 HydrophobicContact CD2-CD1 3.95Å; L149-I153 HydrophobicContact CG-CD1 3.86Å; L149-I153 WeakPolarHBondContact O-CB 3.31Å; L149-I153 PolarHBondContact O-N 2.93Å
150	V	55.9	Low	49.6	Very low	89 Å²	89	75.6 Å²	75.6	54%	0.539	38%	0.379	S	S	.	.	H	α-helix	trans	-51.8	-33.4	174.4	-179.8	0	0	0	0	112.1	P80 P146	P80-V150 HydrophobicContact CB-CG2 3.64Å; P146-V150 PolarHBondContact O-N 2.92Å
151	F	47.6	Very low	48.1	Very low	85 Å²	85	77.5 Å²	77.5	37%	0.373	40%	0.397	S	S	.	.	H	α-helix	trans	-85.7	-26.4	-179.6	-87.5	-94.5	0	0	0	114.6	S116 G147 K148 L149 P471 P473	S116-F151 WeakPolarHBondContact CB-O 3.5Å; G147-F151 WeakPolarHBondContact O-CD2 3.28Å; K148-F151 PolarHBondContact O-N 3.34Å; L149-F151 PolarHBondContact O-N 3.29Å; L149-F151 VanDerWaalsContact O-N 3.09Å; F151-P471 WeakPolarHBondContact CZ-O 3.15Å; F151-P473 HydrophobicContact CD2-CG 4.2Å; F151-P473 HydrophobicContact CE2-CB 4.43Å; F151-P473 VanDerWaalsContact CE2-CD 3.49Å; F151-P473 HydrophobicContact CE2-CG 3.72Å; F151-P473 HydrophobicContact CZ-CG 4.31Å
152	L	51.3	Low	46.6	Very low	15 Å²	15	78.3 Å²	78.3	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-102.9	-18.9	-168.9	-63.3	178.8	0	0	0	113.7	S116 Y117 I134 K148 L149	S116-L152 PolarHBondContact N-O 3.04Å; S116-L152 WeakPolarHBondContact OG-CA 3.47Å; S116-L152 VanDerWaalsContact OG-CD2 3.28Å; S116-L152 WeakPolarHBondContact OG-CD2 3.12Å; S116-L152 PolarHBondContact OG-O 2.88Å; Y117-L152 HydrophobicContact CD2-CD2 4.28Å; Y117-L152 HydrophobicContact CE1-CD2 4.3Å; Y117-L152 HydrophobicContact CE2-CD2 3.49Å; Y117-L152 VanDerWaalsContact CE2-CD2 3.49Å; Y117-L152 VanDerWaalsContact CZ-CD2 3.49Å; Y117-L152 WeakPolarHBondContact OH-CD2 3.44Å; I134-L152 HydrophobicContact CD1-CD1 4.39Å; K148-L152 WeakPolarHBondContact O-CB 3.45Å; K148-L152 VanDerWaalsContact O-CG 3.25Å; K148-L152 WeakPolarHBondContact O-CG 3.43Å; K148-L152 PolarHBondContact O-N 3.45Å; K148-L152 VanDerWaalsContact O-N 3.17Å; L149-L152 PolarHBondContact O-N 2.87Å
153	I	55.2	Low	45.2	Very low	18 Å²	18	84.1 Å²	84.1	9%	0.092	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.3	-179.2	-65.7	168	0	0	0	109.3	Y113 I127 L130 L149 L155	Y113-I153 HydrophobicContact CD1-CB 4.5Å; Y113-I153 HydrophobicContact CD1-CD1 3.83Å; Y113-I153 HydrophobicContact CD1-CG1 3.92Å; Y113-I153 HydrophobicContact CD1-CG2 3.79Å; Y113-I153 HydrophobicContact CE1-CD1 3.94Å; Y113-I153 HydrophobicContact CE1-CG2 4.47Å; I127-I153 HydrophobicContact CD1-CD1 4.12Å; L130-I153 HydrophobicContact CD2-CD1 4.16Å; L130-I153 HydrophobicContact CD2-CG1 3.54Å; L149-I153 HydrophobicContact CB-CD1 4.07Å; L149-I153 HydrophobicContact CD2-CD1 3.95Å; L149-I153 HydrophobicContact CG-CD1 3.86Å; L149-I153 WeakPolarHBondContact O-CB 3.31Å; L149-I153 PolarHBondContact O-N 2.93Å; I153-L155 HydrophobicContact CG2-CD1 4.47Å; I153-L155 HydrophobicContact CG2-CD2 3.87Å; I153-L155 HydrophobicContact CG2-CG 3.69Å
154	K	47.9	Very low	43.8	Very low	141 Å²	141	87.6 Å²	87.6	61%	0.613	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	130.4	150.6	-81.7	-172.7	172.5	-173.1	0	107.9	M114	M114-K154 HydrophobicContact CB-CB 4.37Å; M114-K154 WeakPolarHBondContact CB-O 3.44Å; M114-K154 HydrophobicContact CE-CB 3.49Å; M114-K154 VanDerWaalsContact CE-CB 3.49Å; M114-K154 HydrophobicContact CE-CD 3.69Å; M114-K154 HydrophobicContact CE-CG 4.2Å; M114-K154 PolarHBondContact N-O 3.25Å; M114-K154 VanDerWaalsContact N-O 3.12Å; M114-K154 PolarHBondContact O-N 3.15Å
155	L	44.2	Very low	42.4	Very low	57 Å²	57	95.7 Å²	95.7	30%	0.298	50%	0.496	S	S	.	.			trans	-100.1	146	174.3	-70.6	172.9	0	0	0	110.7	F81 I110 S112 Y113 I153	F81-L155 HydrophobicContact CD1-CD1 4.03Å; F81-L155 HydrophobicContact CE1-CD1 3.49Å; F81-L155 VanDerWaalsContact CE1-CD1 3.49Å; F81-L155 HydrophobicContact CE1-CG 4.48Å; F81-L155 HydrophobicContact CZ-CD1 3.89Å; I110-L155 HydrophobicContact CD1-CD1 3.67Å; I110-L155 HydrophobicContact CG1-CD1 3.9Å; I110-L155 HydrophobicContact CG1-CD2 4.36Å; I110-L155 HydrophobicContact CG2-CD2 3.85Å; S112-L155 WeakPolarHBondContact O-CD2 3.39Å; Y113-L155 HydrophobicContact CD1-CD2 4.03Å; Y113-L155 HydrophobicContact CE1-CD2 4.36Å; I153-L155 HydrophobicContact CG2-CD1 4.47Å; I153-L155 HydrophobicContact CG2-CD2 3.87Å; I153-L155 HydrophobicContact CG2-CG 3.69Å
156	Y	37.7	Very low	40.9	Very low	148 Å²	148	104.7 Å²	104.7	58%	0.58	53%	0.534	S	S	*	.			trans	-103.6	104.3	167	-93.5	-87.4	0	0	0	109.4	M114 I158	M114-Y156 HydrophobicContact CE-CE2 4.04Å; M114-Y156 HydrophobicContact SD-CE2 4.15Å; Y156-I158 HydrophobicContact CD1-CD1 3.83Å; Y156-I158 HydrophobicContact CD1-CG1 4.07Å; Y156-I158 HydrophobicContact CE1-CD1 4.01Å; Y156-I158 PolarHBondContact O-N 3.41Å
157	S	32.2	Very low	39.5	Very low	101 Å²	101	111.7 Å²	111.7	71%	0.706	57%	0.569	S	S	*	*			trans	-87.3	15.5	175.2	-48.7	0	0	0	0	113.2	L159	S157-L159 VanDerWaalsContact C-N 3.28Å; S157-L159 PolarHBondContact O-N 2.88Å
158	I	29.1	Very low	38.3	Very low	136 Å²	136	116.4 Å²	116.4	70%	0.697	59%	0.594	S	S	*	*			trans	-84	69.4	-174.4	-48.1	-177.4	0	0	0	110.4	Y156	Y156-I158 HydrophobicContact CD1-CD1 3.83Å; Y156-I158 HydrophobicContact CD1-CG1 4.07Å; Y156-I158 HydrophobicContact CE1-CD1 4.01Å; Y156-I158 PolarHBondContact O-N 3.41Å
159	L	26.5	Very low	36.7	Very low	136 Å²	136	116.2 Å²	116.2	71%	0.712	61%	0.606	S	S	*	*			trans	-136.2	43	163.8	-77.1	-179	0	0	0	110.9	K111 S157 S161	K111-L159 HydrophobicContact CD-CD1 4.43Å; S157-L159 VanDerWaalsContact C-N 3.28Å; S157-L159 PolarHBondContact O-N 2.88Å; L159-S161 PolarHBondContact O-N 3.25Å
160	K	28.2	Very low	35.2	Very low	205 Å²	205	122 Å²	122	89%	0.891	64%	0.641	S	S	*	*			trans	-86.5	40.8	176.9	-154.4	178.4	-179.1	-179.4	0	113.2
161	S	27.6	Very low	33.9	Very low	93 Å²	93	124.4 Å²	124.4	65%	0.65	65%	0.651	S	S	*	*			trans	-168.4	114.6	164.4	46.8	0	0	0	0	109.7	L159	L159-S161 PolarHBondContact O-N 3.25Å
162	P	28.4	Very low	33	Very low	118 Å²	118	124.4 Å²	124.4	77%	0.766	66%	0.662	S	S	*	*			trans	-88.2	-13.7	-173.1	31.6	-32.1	0	0	0	115.1
163	D	30.5	Very low	32.1	Very low	146 Å²	146	130.9 Å²	130.9	78%	0.781	69%	0.691	S	S	*	*	S	Bend	trans	-97.5	4.3	-157.6	-57.6	-63.9	0	0	0	117
164	K	31.8	Very low	30.9	Very low	197 Å²	197	137.2 Å²	137.2	86%	0.857	72%	0.722	S	S	*	*	S	Bend	trans	-137.4	75.8	-176.3	-71.7	-171.5	179.4	178.9	0	114.7
165	L	29	Very low	30.2	Very low	171 Å²	171	136.4 Å²	136.4	90%	0.895	73%	0.725	S	S	*	*			trans	-170.4	114.3	136.3	-104.4	162.3	0	0	0	109.1
166	K	29.5	Very low	29.4	Very low	201 Å²	201	142 Å²	142	87%	0.874	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-77.8	130.1	-179.4	-70	-177.6	177.8	-179.5	0	110.4	P168	K166-P168 WeakPolarHBondContact O-CD 3.28Å
167	I	26.1	Very low	29	Very low	157 Å²	157	141.6 Å²	141.6	81%	0.805	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.2	123.1	166.4	-59	171.5	0	0	0	108
168	P	29.1	Very low	28.7	Very low	126 Å²	126	143 Å²	143	82%	0.818	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-71	128.1	167.6	-14.5	30.7	0	0	0	109.8	K166	K166-P168 WeakPolarHBondContact O-CD 3.28Å
169	S	23.8	Very low	28.8	Very low	98 Å²	98	141.9 Å²	141.9	69%	0.685	76%	0.76	S	S	*	*			trans	-107.6	162.7	172.4	60.4	0	0	0	0	110.3
170	V	27.5	Very low	28.8	Very low	124 Å²	124	140.9 Å²	140.9	75%	0.752	76%	0.76	S	S	*	*			trans	72.2	138.1	161.7	173.7	0	0	0	0	113.5
171	D	28.4	Very low	28.8	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	76%	0.756	S	S	*	*			cis	-142.3	176.1	15.4	-140.8	-37.7	0	0	0	114.6
172	S	28.3	Very low	28.8	Very low	85 Å²	85	136.7 Å²	136.7	59%	0.594	76%	0.758	S	S	*	*			trans	-38.6	143.8	171.4	52.7	0	0	0	0	117.2
173	H	32.7	Very low	28.7	Very low	150 Å²	150	138.2 Å²	138.2	69%	0.694	75%	0.753	S	S	*	*				-174.4	140.9	74.9	-125.8	-103.5	0	0	0	111.5
174	M	31.6	Very low	28.7	Very low	151 Å²	151	141.3 Å²	141.3	74%	0.744	75%	0.754	S	S	*	*			trans	49.5	139.8	162.6	-51.1	-58	153.3	0	0	119.8
175	D	31.2	Very low	28.5	Very low	125 Å²	125	138.7 Å²	138.7	67%	0.668	75%	0.748	S	S	*	*			cis	-145.4	-177.4	11.2	-147.7	-28.8	0	0	0	111.8	N177	D175-N177 PolarHBondContact O-N 2.89Å
176	K	28.4	Very low	28.3	Very low	175 Å²	175	140 Å²	140	76%	0.761	75%	0.749	S	S	*	*			trans	-83.6	112.4	-159.5	-57.9	138.9	-170.5	149.8	0	114.8
177	N	30	Very low	28.3	Very low	138 Å²	138	136.2 Å²	136.2	74%	0.738	74%	0.743	S	S	*	*			trans	-175.2	109.4	135.6	-103.5	-40.8	0	0	0	113	D175 V179	D175-N177 PolarHBondContact O-N 2.89Å; N177-V179 HydrophobicContact CB-CG2 4.29Å; N177-V179 PolarHBondContact O-N 3.47Å; N177-V179 VanDerWaalsContact O-N 3.08Å
178	P	26.1	Very low	28.4	Very low	131 Å²	131	138.7 Å²	138.7	85%	0.851	75%	0.751	S	S	*	*			trans	-85.3	69.9	177.5	35.1	-34.7	0	0	0	112
179	V	30.5	Very low	28.9	Very low	112 Å²	112	135.8 Å²	135.8	68%	0.679	74%	0.744	S	S	*	*			trans	-109.9	94	-175.5	-173.9	0	0	0	0	113	N177 P181	N177-V179 HydrophobicContact CB-CG2 4.29Å; N177-V179 PolarHBondContact O-N 3.47Å; N177-V179 VanDerWaalsContact O-N 3.08Å; V179-P181 WeakPolarHBondContact O-CD 3.42Å
180	V	25.7	Very low	30.3	Very low	115 Å²	115	136.2 Å²	136.2	70%	0.697	74%	0.738	S	S	*	*			trans	-7.1	100	158.5	-172.4	0	0	0	0	116.8
181	P	28.4	Very low	32.2	Very low	126 Å²	126	135.9 Å²	135.9	82%	0.818	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	120.1	164.2	33.4	-28.3	0	0	0	110.8	V179	V179-P181 WeakPolarHBondContact O-CD 3.42Å
182	A	28	Very low	34.4	Very low	84 Å²	84	130.7 Å²	130.7	69%	0.694	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	cis	-147.7	134.9	-10	0	0	0	0	0	110.5	R184	A182-R184 PolarHBondContact O-N 3.04Å
183	K	26.9	Very low	36.7	Very low	150 Å²	150	132.4 Å²	132.4	65%	0.652	70%	0.7	S	S	*	*			trans	-60.1	129.3	152.7	-68.2	176.5	-179.9	175.3	0	106.5	L185	K183-L185 VanDerWaalsContact C-N 3.31Å; K183-L185 PolarHBondContact O-N 3.25Å
184	R	29.6	Very low	39.1	Very low	212 Å²	212	125.3 Å²	125.3	80%	0.8	67%	0.667	S	S	*	*			trans	-65.4	92.3	173.4	-70.1	-174.2	-175.2	174.5	1.3	109.1	A182	A182-R184 PolarHBondContact O-N 3.04Å
185	L	27.5	Very low	41.6	Very low	142 Å²	142	120.8 Å²	120.8	74%	0.743	64%	0.642	S	S	*	*			trans	-57.9	148.7	167.5	-113.3	70.8	0	0	0	109.2	K183 T187	K183-L185 VanDerWaalsContact C-N 3.31Å; K183-L185 PolarHBondContact O-N 3.25Å; L185-T187 PolarHBondContact O-N 3.12Å; L185-T187 VanDerWaalsContact O-N 3.11Å
186	H	25.5	Very low	44	Very low	198 Å²	198	115.3 Å²	115.3	92%	0.917	61%	0.612	S	S	*	*	S	Bend	trans	-87.4	82	-174.6	-139.5	60.8	0	0	0	109.9
187	T	29.4	Very low	46.7	Very low	122 Å²	122	109.3 Å²	109.3	75%	0.748	59%	0.591	S	S	*	*			trans	-144.4	144.7	172.1	15.9	0	0	0	0	111.2	L185 G189	L185-T187 PolarHBondContact O-N 3.12Å; L185-T187 VanDerWaalsContact O-N 3.11Å; T187-G189 PolarHBondContact O-N 3Å; T187-G189 VanDerWaalsContact O-N 3.15Å
188	E	28.8	Very low	49.1	Very low	209 Å²	209	104.4 Å²	104.4	98%	0.977	57%	0.573	S	S	*	*	S	Bend	trans	-59.2	103	-167.8	-62.2	163.6	155.5	0	0	113.5
189	G	38.9	Very low	51.8	Low	65 Å²	65	104 Å²	104	67%	0.67	56%	0.558	S	S	*	*			trans	-179	129.2	173.1	0	0	0	0	0	114.3	T187	T187-G189 PolarHBondContact O-N 3Å; T187-G189 VanDerWaalsContact O-N 3.15Å
190	I	52.3	Low	54.1	Low	106 Å²	106	101.8 Å²	101.8	54%	0.544	55%	0.548	S	S	.	.			trans	-87.6	105.9	166.3	-60.4	176.7	0	0	0	107.3	W192 F343	I190-W192 PolarHBondContact O-NE1 3.26Å; I190-F343 HydrophobicContact CD1-CZ 4.24Å
191	L	68.4	Low	56.8	Low	118 Å²	118	98.8 Å²	98.8	62%	0.618	52%	0.524	S	S	*	.			trans	-72.2	132.3	172	-67.1	175.1	0	0	0	110.3
192	W	73.6	Confident	59.1	Low	30 Å²	30	100.8 Å²	100.8	11%	0.114	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	103.9	-175.6	-69.6	81.9	0	0	0	110.1	I190 S200 Y201 T203 G204 L207 I283 P289	I190-W192 PolarHBondContact O-NE1 3.26Å; W192-S200 CarbonylContact O-C 3.56Å; W192-S200 WeakPolarHBondContact O-CA 3.42Å; W192-Y201 PolarHBondContact N-O 2.73Å; W192-Y201 PolarHBondContact O-N 2.8Å; W192-T203 VanDerWaalsContact CD1-C 3.42Å; W192-G204 VanDerWaalsContact CD1-N 3.3Å; W192-G204 VanDerWaalsContact CD2-CA 3.48Å; W192-L207 HydrophobicContact CB-CB 3.91Å; W192-L207 HydrophobicContact CB-CD2 3.84Å; W192-L207 HydrophobicContact CB-CG 4.49Å; W192-L207 HydrophobicContact CE3-CD2 4.16Å; W192-I283 HydrophobicContact CE3-CG2 3.93Å; W192-I283 HydrophobicContact CH2-CG2 4.36Å; W192-I283 HydrophobicContact CZ3-CB 4.37Å; W192-I283 HydrophobicContact CZ3-CG1 4.21Å; W192-I283 HydrophobicContact CZ3-CG2 3.72Å; W192-P289 HydrophobicContact CE3-CG 4.4Å; W192-P289 HydrophobicContact CH2-CG 4.25Å; W192-P289 HydrophobicContact CZ3-CB 4.23Å; W192-P289 HydrophobicContact CZ3-CG 3.92Å
193	Q	76.5	Confident	61.6	Low	121 Å²	121	99.9 Å²	99.9	57%	0.565	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.3	-175.7	-162.4	173.8	15.8	0	0	112.3	G198 K199	Q193-G198 WeakPolarHBondContact CG-O 3.46Å; Q193-G198 PolarHBondContact NE2-O 3Å; Q193-K199 WeakPolarHBondContact CA-O 3.48Å
194	C	84.8	Confident	64.1	Low	1 Å²	1	93 Å²	93	1%	0.007	48%	0.481	C	S	.	.			trans	-71.1	128	170.3	178.1	0	0	0	0	110.6	E196 G198 K199 L207 H210	C194-E196 VanDerWaalsContact C-N 3.34Å; C194-G198 WeakPolarHBondContact O-CA 3.19Å; C194-G198 PolarHBondContact O-N 2.85Å; C194-K199 PolarHBondContact N-O 2.93Å; C194-L207 HydrophobicContact CB-CD1 3.67Å; C194-H210 PolarHBondContact SG-NE2 3.39Å
195	W	82.5	Confident	66.8	Low	57 Å²	57	89.2 Å²	89.2	22%	0.216	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-23.3	179.7	70.5	88.3	0	0	0	113.3	L211 P241 F242 I244 V279 W290 R291 P292	W195-L211 HydrophobicContact CE3-CD2 4.28Å; W195-L211 HydrophobicContact CH2-CD1 4.03Å; W195-L211 HydrophobicContact CH2-CD2 3.74Å; W195-L211 HydrophobicContact CZ2-CD2 4.38Å; W195-L211 HydrophobicContact CZ3-CD1 3.73Å; W195-L211 HydrophobicContact CZ3-CD2 3.7Å; W195-L211 HydrophobicContact CZ3-CG 4.4Å; W195-P241 HydrophobicContact CG-CB 4.43Å; W195-P241 HydrophobicContact CG-CG 4.27Å; W195-F242 PolarHBondContact NE1-O 3.46Å; W195-I244 HydrophobicContact CH2-CD1 4.02Å; W195-I244 HydrophobicContact CH2-CG1 4.4Å; W195-I244 HydrophobicContact CZ2-CD1 3.93Å; W195-I244 HydrophobicContact CZ2-CG1 3.93Å; W195-V279 HydrophobicContact CH2-CB 4.48Å; W195-V279 HydrophobicContact CH2-CG1 3.88Å; W195-V279 HydrophobicContact CH2-CG2 3.88Å; W195-V279 HydrophobicContact CZ3-CG1 3.92Å; W195-W290 WeakPolarHBondContact CZ3-O 3.17Å; W195-R291 HydrophobicContact CD2-CB 3.75Å; W195-R291 HydrophobicContact CE3-CB 3.85Å; W195-R291 HydrophobicContact CG-CB 4.11Å; W195-R291 HydrophobicContact CZ3-CB 4.36Å; W195-P292 HydrophobicContact CZ2-CG 3.97Å
196	E	82.1	Confident	69.7	Low	9 Å²	9	88.6 Å²	88.6	4%	0.042	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-53	-176.7	-57.1	-175	144.2	0	0	111.9	C194 C214 K216 H243 I244	C194-E196 VanDerWaalsContact C-N 3.34Å; E196-C214 WeakPolarHBondContact OE2-CB 3.45Å; E196-C214 PolarHBondContact OE2-SG 3.49Å; E196-K216 WeakPolarHBondContact O-CD 3.13Å; E196-K216 WeakPolarHBondContact O-CE 3.38Å; E196-K216 PolarHBondContact O-NZ 2.99Å; E196-H243 WeakPolarHBondContact OE1-CA 3.26Å; E196-I244 WeakPolarHBondContact OE1-CB 3.29Å; E196-I244 WeakPolarHBondContact OE1-CG1 3.3Å; E196-I244 PolarHBondContact OE1-N 3.44Å
197	C	84.5	Confident	72.5	Confident	49 Å²	49	79.4 Å²	79.4	33%	0.331	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-1.8	-175.3	77.7	0	0	0	0	114.8	K199 H210	C197-K199 PolarHBondContact O-N 3.06Å; C197-K199 VanDerWaalsContact SG-CG 3.55Å; C197-H210 VanDerWaalsContact SG-CE1 3.58Å; C197-H210 PolarHBondContact SG-NE2 2.82Å
198	G	80.2	Confident	75.2	Confident	35 Å²	35	73.8 Å²	73.8	36%	0.361	38%	0.382	S	S	.	.			trans	74.4	-2.1	176.4	0	0	0	0	0	116.3	Q193 C194	Q193-G198 WeakPolarHBondContact CG-O 3.46Å; Q193-G198 PolarHBondContact NE2-O 3Å; C194-G198 WeakPolarHBondContact O-CA 3.19Å; C194-G198 PolarHBondContact O-N 2.85Å
199	K	82.9	Confident	78.1	Confident	122 Å²	122	67.8 Å²	67.8	53%	0.53	35%	0.353	S	S	.	.			trans	-63.9	140	177.9	-69.6	176.3	-173.6	174.4	0	111.6	Q193 C194 C197 Y201	Q193-K199 WeakPolarHBondContact CA-O 3.48Å; C194-K199 PolarHBondContact N-O 2.93Å; C197-K199 PolarHBondContact O-N 3.06Å; C197-K199 VanDerWaalsContact SG-CG 3.55Å; K199-Y201 HydrophobicContact CB-CE2 3.67Å; K199-Y201 WeakPolarHBondContact CD-OH 3.39Å
200	S	80.8	Confident	80.5	Confident	66 Å²	66	65.9 Å²	65.9	46%	0.462	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	141.2	-179.3	-64.5	0	0	0	0	111.6	W192	W192-S200 CarbonylContact O-C 3.56Å; W192-S200 WeakPolarHBondContact O-CA 3.42Å
201	Y	81.9	Confident	82.1	Confident	52 Å²	52	60.9 Å²	60.9	20%	0.204	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.1	-177.2	-61.4	-85.8	0	0	0	111.2	W192 K199 T203 R206 L207 H210	W192-Y201 PolarHBondContact N-O 2.73Å; W192-Y201 PolarHBondContact O-N 2.8Å; K199-Y201 HydrophobicContact CB-CE2 3.67Å; K199-Y201 WeakPolarHBondContact CD-OH 3.39Å; Y201-T203 VanDerWaalsContact C-N 3.27Å; Y201-T203 PolarHBondContact O-N 3.11Å; Y201-R206 HydrophobicContact CD1-CB 3.91Å; Y201-R206 HydrophobicContact CG-CB 4.23Å; Y201-L207 HydrophobicContact CD2-CB 4.07Å; Y201-L207 HydrophobicContact CD2-CD1 3.87Å; Y201-L207 HydrophobicContact CE2-CD1 4.17Å; Y201-L207 HydrophobicContact CG-CB 4.37Å; Y201-H210 HydrophobicContact CE1-CB 4.05Å; Y201-H210 HydrophobicContact CE2-CB 3.91Å; Y201-H210 AromaticContact CE2-CD2 3.31Å; Y201-H210 WeakPolarHBondContact CE2-CD2 3.07Å; Y201-H210 AromaticContact CE2-CG 3.68Å; Y201-H210 AromaticContact CZ-CD2 3.57Å; Y201-H210 AromaticContact CZ-CG 3.46Å; Y201-H210 VanDerWaalsContact CZ-CG 3.46Å; Y201-H210 PolarHBondContact OH-CD2 2.7Å; Y201-H210 PolarHBondContact OH-ND1 3.02Å
202	E	75.9	Confident	82.9	Confident	169 Å²	169	60 Å²	60	79%	0.79	29%	0.294	S	S	*	.	S	Bend	trans	-68.2	-26.6	-178.9	-64.4	164.3	-178	0	0	112.8
203	T	80.1	Confident	83.3	Confident	64 Å²	64	64.3 Å²	64.3	39%	0.393	32%	0.319	S	S	.	.	S	Bend	trans	-139	151.1	-177.9	64.5	0	0	0	0	111.7	W192 Y201 F205 R206 L207	W192-T203 VanDerWaalsContact CD1-C 3.42Å; Y201-T203 VanDerWaalsContact C-N 3.27Å; Y201-T203 PolarHBondContact O-N 3.11Å; T203-F205 PolarHBondContact O-N 3.22Å; T203-R206 PolarHBondContact O-N 3.41Å; T203-R206 VanDerWaalsContact O-N 3.16Å; T203-R206 PolarHBondContact OG1-N 3.47Å; T203-L207 PolarHBondContact O-N 2.84Å; T203-L207 VanDerWaalsContact O-N 3.11Å
204	G	80.5	Confident	83.6	Confident	7 Å²	7	59.4 Å²	59.4	7%	0.072	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-28.7	174.3	0	0	0	0	0	113.4	W192 L207 S208 I283	W192-G204 VanDerWaalsContact CD1-N 3.3Å; W192-G204 VanDerWaalsContact CD2-CA 3.48Å; G204-L207 PolarHBondContact O-N 3.33Å; G204-S208 WeakPolarHBondContact O-CB 3.49Å; G204-S208 PolarHBondContact O-N 2.95Å; G204-S208 PolarHBondContact O-OG 2.89Å; G204-I283 VanDerWaalsContact C-CG2 3.46Å; G204-I283 WeakPolarHBondContact O-CG2 3.39Å
205	F	86.2	Confident	82.8	Confident	132 Å²	132	68.9 Å²	68.9	58%	0.579	34%	0.339	S	S	*	.	H	α-helix	trans	-63.9	-47.7	174.7	-175.9	-94.7	0	0	0	111.6	T203 L207 S208 E209 N284	T203-F205 PolarHBondContact O-N 3.22Å; F205-L207 VanDerWaalsContact C-N 3.32Å; F205-L207 PolarHBondContact O-N 3.46Å; F205-S208 WeakPolarHBondContact O-CB 3.49Å; F205-S208 PolarHBondContact O-N 3.29Å; F205-S208 VanDerWaalsContact O-N 3.07Å; F205-E209 WeakPolarHBondContact O-CB 3.48Å; F205-E209 PolarHBondContact O-N 2.86Å; F205-N284 VanDerWaalsContact CA-OD1 3.23Å; F205-N284 WeakPolarHBondContact CA-OD1 3.44Å; F205-N284 PolarHBondContact N-OD1 3.34Å
206	R	87.1	Confident	81.8	Confident	129 Å²	129	70.7 Å²	70.7	49%	0.487	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-35	174.8	-71.1	-58.9	-162.3	-176.1	1.7	112.8	Y201 T203 E209 H210	Y201-R206 HydrophobicContact CD1-CB 3.91Å; Y201-R206 HydrophobicContact CG-CB 4.23Å; T203-R206 PolarHBondContact O-N 3.41Å; T203-R206 VanDerWaalsContact O-N 3.16Å; T203-R206 PolarHBondContact OG1-N 3.47Å; R206-E209 WeakPolarHBondContact CD-OE2 3.27Å; R206-E209 IonicContact CZ-OE2 3.27Å; R206-E209 IonicContact NE-OE2 3.13Å; R206-E209 VanDerWaalsContact NH1-CD 3.31Å; R206-E209 IonicContact NH1-OE1 3.83Å; R206-E209 PolarHBondContact NH1-OE1 3.39Å; R206-E209 VanDerWaalsContact NH1-OE1 3.08Å; R206-E209 IonicContact NH1-OE2 3.46Å; R206-E209 PolarHBondContact NH1-OE2 2.57Å; R206-H210 WeakPolarHBondContact O-CB 3.29Å; R206-H210 PolarHBondContact O-N 3.22Å; R206-H210 VanDerWaalsContact O-N 3.09Å
207	L	85.9	Confident	80.6	Confident	5 Å²	5	78.5 Å²	78.5	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-64.6	-40.7	170.5	175.4	58.6	0	0	0	111.5	W192 C194 Y201 T203 G204 F205 H210 L211 I283	W192-L207 HydrophobicContact CB-CB 3.91Å; W192-L207 HydrophobicContact CB-CD2 3.84Å; W192-L207 HydrophobicContact CB-CG 4.49Å; W192-L207 HydrophobicContact CE3-CD2 4.16Å; C194-L207 HydrophobicContact CB-CD1 3.67Å; Y201-L207 HydrophobicContact CD2-CB 4.07Å; Y201-L207 HydrophobicContact CD2-CD1 3.87Å; Y201-L207 HydrophobicContact CE2-CD1 4.17Å; Y201-L207 HydrophobicContact CG-CB 4.37Å; T203-L207 PolarHBondContact O-N 2.84Å; T203-L207 VanDerWaalsContact O-N 3.11Å; G204-L207 PolarHBondContact O-N 3.33Å; F205-L207 VanDerWaalsContact C-N 3.32Å; F205-L207 PolarHBondContact O-N 3.46Å; L207-H210 WeakPolarHBondContact O-CB 3.21Å; L207-H210 PolarHBondContact O-N 2.69Å; L207-L211 HydrophobicContact CD1-CD1 4.01Å; L207-L211 HydrophobicContact CD1-CD2 4.3Å; L207-L211 HydrophobicContact CD1-CG 3.89Å; L207-L211 HydrophobicContact CG-CD1 3.86Å; L207-L211 HydrophobicContact CG-CG 4.24Å; L207-L211 VanDerWaalsContact O-CG 3.25Å; L207-L211 WeakPolarHBondContact O-CG 3.3Å; L207-L211 PolarHBondContact O-N 3.3Å; L207-I283 HydrophobicContact CD2-CD1 3.87Å; L207-I283 HydrophobicContact CG-CD1 4.17Å
208	S	86.4	Confident	79.3	Confident	4 Å²	4	77.9 Å²	77.9	3%	0.028	39%	0.385	C	S	.	.	H	α-helix	trans	-65.6	-47.8	179.9	-54.2	0	0	0	0	112.2	G204 F205 H210 L211 Q212 N284	G204-S208 WeakPolarHBondContact O-CB 3.49Å; G204-S208 PolarHBondContact O-N 2.95Å; G204-S208 PolarHBondContact O-OG 2.89Å; F205-S208 WeakPolarHBondContact O-CB 3.49Å; F205-S208 PolarHBondContact O-N 3.29Å; F205-S208 VanDerWaalsContact O-N 3.07Å; S208-H210 PolarHBondContact O-N 2.89Å; S208-L211 PolarHBondContact O-N 2.83Å; S208-L211 VanDerWaalsContact O-N 3.11Å; S208-Q212 PolarHBondContact O-N 2.81Å; S208-N284 WeakPolarHBondContact CB-ND2 3.11Å; S208-N284 PolarHBondContact OG-ND2 2.98Å
209	E	88.6	Confident	78.2	Confident	82 Å²	82	85 Å²	85	38%	0.383	41%	0.409	S	S	.	.	H	α-helix	trans	-54.7	-38.8	172.2	178.4	-175	-138.4	0	0	111.9	F205 R206 N213	F205-E209 WeakPolarHBondContact O-CB 3.48Å; F205-E209 PolarHBondContact O-N 2.86Å; R206-E209 WeakPolarHBondContact CD-OE2 3.27Å; R206-E209 IonicContact CZ-OE2 3.27Å; R206-E209 IonicContact NE-OE2 3.13Å; R206-E209 VanDerWaalsContact NH1-CD 3.31Å; R206-E209 IonicContact NH1-OE1 3.83Å; R206-E209 PolarHBondContact NH1-OE1 3.39Å; R206-E209 VanDerWaalsContact NH1-OE1 3.08Å; R206-E209 IonicContact NH1-OE2 3.46Å; R206-E209 PolarHBondContact NH1-OE2 2.57Å; E209-N213 PolarHBondContact O-ND2 2.95Å
210	H	89.5	Confident	77	Confident	25 Å²	25	82.3 Å²	82.3	12%	0.116	40%	0.402	C	S	.	.	H	α-helix	trans	-70.4	-44.3	173.5	165.8	50.6	0	0	0	113.3	C194 C197 Y201 R206 L207 S208 Q212 N213 C214	C194-H210 PolarHBondContact SG-NE2 3.39Å; C197-H210 VanDerWaalsContact SG-CE1 3.58Å; C197-H210 PolarHBondContact SG-NE2 2.82Å; Y201-H210 HydrophobicContact CE1-CB 4.05Å; Y201-H210 HydrophobicContact CE2-CB 3.91Å; Y201-H210 AromaticContact CE2-CD2 3.31Å; Y201-H210 WeakPolarHBondContact CE2-CD2 3.07Å; Y201-H210 AromaticContact CE2-CG 3.68Å; Y201-H210 AromaticContact CZ-CD2 3.57Å; Y201-H210 AromaticContact CZ-CG 3.46Å; Y201-H210 VanDerWaalsContact CZ-CG 3.46Å; Y201-H210 PolarHBondContact OH-CD2 2.7Å; Y201-H210 PolarHBondContact OH-ND1 3.02Å; R206-H210 WeakPolarHBondContact O-CB 3.29Å; R206-H210 PolarHBondContact O-N 3.22Å; R206-H210 VanDerWaalsContact O-N 3.09Å; L207-H210 WeakPolarHBondContact O-CB 3.21Å; L207-H210 PolarHBondContact O-N 2.69Å; S208-H210 PolarHBondContact O-N 2.89Å; H210-Q212 VanDerWaalsContact C-N 3.3Å; H210-Q212 PolarHBondContact O-N 3.06Å; H210-N213 CarbonylContact O-C 3.53Å; H210-N213 WeakPolarHBondContact O-CA 3.06Å; H210-N213 PolarHBondContact O-N 3.31Å; H210-C214 PolarHBondContact CE1-SG 3.49Å; H210-C214 PolarHBondContact NE2-SG 2.86Å; H210-C214 VanDerWaalsContact NE2-SG 3.38Å; H210-C214 PolarHBondContact O-N 3.4Å
211	L	86.7	Confident	75.9	Confident	2 Å²	2	82.4 Å²	82.4	1%	0.01	40%	0.402	C	S	.	.	H	α-helix	trans	-61.8	-36.7	-176.7	-73.4	167.3	0	0	0	112.2	W195 L207 S208 N213 C214 I244 V279 I283	W195-L211 HydrophobicContact CE3-CD2 4.28Å; W195-L211 HydrophobicContact CH2-CD1 4.03Å; W195-L211 HydrophobicContact CH2-CD2 3.74Å; W195-L211 HydrophobicContact CZ2-CD2 4.38Å; W195-L211 HydrophobicContact CZ3-CD1 3.73Å; W195-L211 HydrophobicContact CZ3-CD2 3.7Å; W195-L211 HydrophobicContact CZ3-CG 4.4Å; L207-L211 HydrophobicContact CD1-CD1 4.01Å; L207-L211 HydrophobicContact CD1-CD2 4.3Å; L207-L211 HydrophobicContact CD1-CG 3.89Å; L207-L211 HydrophobicContact CG-CD1 3.86Å; L207-L211 HydrophobicContact CG-CG 4.24Å; L207-L211 VanDerWaalsContact O-CG 3.25Å; L207-L211 WeakPolarHBondContact O-CG 3.3Å; L207-L211 PolarHBondContact O-N 3.3Å; S208-L211 PolarHBondContact O-N 2.83Å; S208-L211 VanDerWaalsContact O-N 3.11Å; L211-N213 PolarHBondContact O-N 3.03Å; L211-N213 VanDerWaalsContact O-N 3.13Å; L211-C214 PolarHBondContact O-N 3.03Å; L211-I244 HydrophobicContact CB-CD1 4.05Å; L211-I244 HydrophobicContact CD2-CD1 3.89Å; L211-V279 HydrophobicContact CD1-CG1 3.67Å; L211-I283 HydrophobicContact CD1-CD1 3.87Å
212	Q	83.5	Confident	74.8	Confident	98 Å²	98	85.3 Å²	85.3	46%	0.458	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.9	171.6	-70.1	-176.6	-28.3	0	0	114	S208 H210 E276 D277	S208-Q212 PolarHBondContact O-N 2.81Å; H210-Q212 VanDerWaalsContact C-N 3.3Å; H210-Q212 PolarHBondContact O-N 3.06Å; Q212-E276 HydrophobicContact CG-CB 4.47Å; Q212-E276 HydrophobicContact CG-CG 3.92Å; Q212-D277 PolarHBondContact NE2-OD1 2.92Å
213	N	82.9	Confident	74.4	Confident	121 Å²	121	84.2 Å²	84.2	65%	0.647	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.4	14.4	-178.5	-65.3	-77.9	0	0	0	112.5	E209 H210 L211 K215	E209-N213 PolarHBondContact O-ND2 2.95Å; H210-N213 CarbonylContact O-C 3.53Å; H210-N213 WeakPolarHBondContact O-CA 3.06Å; H210-N213 PolarHBondContact O-N 3.31Å; L211-N213 PolarHBondContact O-N 3.03Å; L211-N213 VanDerWaalsContact O-N 3.13Å; N213-K215 PolarHBondContact O-N 3.23Å
214	C	83.2	Confident	74.3	Confident	19 Å²	19	81.8 Å²	81.8	13%	0.128	40%	0.397	C	S	.	.			trans	-78.4	94.8	-176.7	-157.2	0	0	0	0	109.8	E196 H210 L211	E196-C214 WeakPolarHBondContact OE2-CB 3.45Å; E196-C214 PolarHBondContact OE2-SG 3.49Å; H210-C214 PolarHBondContact CE1-SG 3.49Å; H210-C214 PolarHBondContact NE2-SG 2.86Å; H210-C214 VanDerWaalsContact NE2-SG 3.38Å; H210-C214 PolarHBondContact O-N 3.4Å; L211-C214 PolarHBondContact O-N 3.03Å
215	K	67.2	Low	74	Confident	199 Å²	199	82.7 Å²	82.7	87%	0.865	40%	0.401	S	S	*	.			trans	-90.1	115.4	167.9	-66	-171.6	178.9	-174.7	0	108.9	N213	N213-K215 PolarHBondContact O-N 3.23Å
216	K	62.8	Low	73.3	Confident	95 Å²	95	77.5 Å²	77.5	41%	0.413	39%	0.385	S	S	.	.			trans	-114	144.4	159.5	-165	176.3	-177.2	177.9	0	106.7	E196 D218	E196-K216 WeakPolarHBondContact O-CD 3.13Å; E196-K216 WeakPolarHBondContact O-CE 3.38Å; E196-K216 PolarHBondContact O-NZ 2.99Å; K216-D218 WeakPolarHBondContact CD-OD1 3.24Å; K216-D218 PolarHBondContact O-N 3.16Å
217	D	55.1	Low	73.1	Confident	174 Å²	174	71.4 Å²	71.4	93%	0.93	36%	0.362	S	S	*	.			trans	-77.1	81.5	178.6	-61	-55.8	0	0	0	109
218	D	57.2	Low	72.8	Confident	36 Å²	36	71.4 Å²	71.4	19%	0.193	36%	0.362	C	S	.	.			trans	-99	133.9	-176.5	-62.6	-40.7	0	0	0	111.1	K216 V220 H243	K216-D218 WeakPolarHBondContact CD-OD1 3.24Å; K216-D218 PolarHBondContact O-N 3.16Å; D218-V220 PolarHBondContact O-N 3.08Å; D218-H243 IonicContact OD1-CE1 2.69Å; D218-H243 PolarHBondContact OD1-CE1 3Å; D218-H243 IonicContact OD1-ND1 3.97Å; D218-H243 PolarHBondContact OD1-ND1 2.88Å; D218-H243 IonicContact OD2-CE1 3.77Å; D218-H243 IonicContact OD2-CG 3.1Å; D218-H243 IonicContact OD2-ND1 2.69Å; D218-H243 PolarHBondContact OD2-ND1 3.38Å
219	E	58.2	Low	72.7	Confident	185 Å²	185	73.1 Å²	73.1	86%	0.864	37%	0.369	S	S	*	.			trans	-66.9	130.4	170.6	-65.4	-175.1	143.2	0	0	110	C221	E219-C221 PolarHBondContact O-N 3.41Å
220	V	57.1	Low	72.3	Confident	64 Å²	64	70.8 Å²	70.8	39%	0.388	36%	0.362	S	S	.	.			trans	-72.7	89.4	-177.7	-178.5	0	0	0	0	109.7	D218 E222 T249	D218-V220 PolarHBondContact O-N 3.08Å; V220-E222 PolarHBondContact O-N 2.91Å; V220-T249 HydrophobicContact CG1-CG2 3.87Å
221	C	57.6	Low	71.3	Confident	68 Å²	68	74.9 Å²	74.9	46%	0.459	39%	0.39	S	S	.	.			trans	-70.5	109.1	176.5	-160.7	0	0	0	0	110	E219 Q223	E219-C221 PolarHBondContact O-N 3.41Å; C221-Q223 PolarHBondContact SG-O 3.03Å; C221-Q223 VanDerWaalsContact SG-O 3.34Å
222	E	59.7	Low	70.2	Confident	114 Å²	114	81.2 Å²	81.2	53%	0.533	41%	0.414	S	S	.	.	S	Bend	trans	-69.8	-38.1	-172.9	-54.5	-157.7	123.7	0	0	112.4	V220 H250 R253 F254	V220-E222 PolarHBondContact O-N 2.91Å; E222-H250 PolarHBondContact O-ND1 3.17Å; E222-R253 IonicContact OE1-CZ 3.48Å; E222-R253 IonicContact OE1-NH1 3.27Å; E222-R253 PolarHBondContact OE1-NH1 3.01Å; E222-F254 WeakPolarHBondContact O-CE2 3.49Å
223	Q	66.4	Low	68.7	Low	146 Å²	146	82.1 Å²	82.1	68%	0.682	43%	0.426	S	S	*	.	S	Bend	trans	-94.4	106.7	171.7	-64.4	-179.8	-2.6	0	0	109.4	C221 P225	C221-Q223 PolarHBondContact SG-O 3.03Å; C221-Q223 VanDerWaalsContact SG-O 3.34Å; Q223-P225 VanDerWaalsContact O-CD 3.3Å; Q223-P225 WeakPolarHBondContact O-CD 3.34Å
224	L	78.2	Confident	66.5	Low	13 Å²	13	79 Å²	79	7%	0.068	41%	0.409	C	S	.	.			trans	-90.1	111.6	-173.5	-164.3	87.3	0	0	0	112.1	G226 C227 F242 F247 H250	L224-G226 PolarHBondContact O-N 3.15Å; L224-C227 HydrophobicContact CB-CB 4.37Å; L224-C227 HydrophobicContact CD2-CB 4.27Å; L224-C227 WeakPolarHBondContact O-CB 3.14Å; L224-C227 PolarHBondContact O-N 3.3Å; L224-F242 HydrophobicContact CD1-CD1 4.2Å; L224-F242 HydrophobicContact CD2-CD1 3.61Å; L224-F242 HydrophobicContact CD2-CE1 3.58Å; L224-F242 HydrophobicContact CD2-CG 4.31Å; L224-F242 HydrophobicContact CD2-CZ 4.26Å; L224-F242 HydrophobicContact CG-CD1 3.8Å; L224-F242 HydrophobicContact CG-CE1 3.71Å; L224-F247 HydrophobicContact CD2-CB 4.15Å; L224-F247 HydrophobicContact CD2-CD2 3.47Å; L224-F247 VanDerWaalsContact CD2-CD2 3.47Å; L224-F247 HydrophobicContact CD2-CE2 4.13Å; L224-F247 HydrophobicContact CD2-CG 4.09Å; L224-H250 HydrophobicContact CB-CB 3.85Å; L224-H250 HydrophobicContact CD1-CB 4.39Å; L224-H250 HydrophobicContact CD2-CB 4.2Å; L224-H250 HydrophobicContact CG-CB 4.38Å
225	P	73.5	Confident	64	Low	25 Å²	25	83.1 Å²	83.1	16%	0.162	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	121	-166.3	-27.9	38.7	0	0	0	115	Q223 C227 Q236 N238 F242	Q223-P225 VanDerWaalsContact O-CD 3.3Å; Q223-P225 WeakPolarHBondContact O-CD 3.34Å; P225-C227 VanDerWaalsContact C-N 3.33Å; P225-C227 PolarHBondContact O-N 3.36Å; P225-Q236 HydrophobicContact CB-CB 4.15Å; P225-Q236 HydrophobicContact CB-CG 4.35Å; P225-Q236 VanDerWaalsContact CB-OE1 3.28Å; P225-N238 HydrophobicContact CB-CB 4.21Å; P225-F242 WeakPolarHBondContact O-CE1 2.8Å; P225-F242 WeakPolarHBondContact O-CZ 3.29Å
226	G	73.3	Confident	63	Low	23 Å²	23	78 Å²	78	24%	0.237	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	15.1	178.7	0	0	0	0	0	115.5	L224 R301	L224-G226 PolarHBondContact O-N 3.15Å; G226-R301 PolarHBondContact O-NH2 3.07Å
227	C	83	Confident	62.1	Low	1 Å²	1	78.7 Å²	78.7	1%	0.007	43%	0.426	C	S	.	.			trans	-43.9	134.5	170.5	171.9	0	0	0	0	111.7	L224 P225 F229 C230 H250 R301	L224-C227 HydrophobicContact CB-CB 4.37Å; L224-C227 HydrophobicContact CD2-CB 4.27Å; L224-C227 WeakPolarHBondContact O-CB 3.14Å; L224-C227 PolarHBondContact O-N 3.3Å; P225-C227 VanDerWaalsContact C-N 3.33Å; P225-C227 PolarHBondContact O-N 3.36Å; C227-F229 VanDerWaalsContact C-N 3.29Å; C227-F229 PolarHBondContact O-N 2.99Å; C227-C230 HydrophobicContact CB-CB 3.96Å; C227-H250 VanDerWaalsContact SG-CD2 3.59Å; C227-H250 PolarHBondContact SG-NE2 3.11Å; C227-R301 PolarHBondContact O-NH1 3.41Å; C227-R301 PolarHBondContact O-NH2 3.22Å
228	P	77.9	Confident	62	Low	6 Å²	6	74 Å²	74	4%	0.039	40%	0.4	C	S	.	.	S	Bend	trans	-64.9	-30.3	-176.3	26.1	-35	0	0	0	113.4	F247 L297 L300 R301	P228-F247 HydrophobicContact CG-CZ 4.29Å; P228-L297 HydrophobicContact CB-CB 4.41Å; P228-L297 HydrophobicContact CG-CB 4.13Å; P228-L297 HydrophobicContact CG-CD1 4.3Å; P228-L300 HydrophobicContact CB-CB 4.14Å; P228-L300 HydrophobicContact CG-CB 4.48Å; P228-R301 HydrophobicContact CB-CG 4.24Å; P228-R301 WeakPolarHBondContact O-CG 3.34Å; P228-R301 PolarHBondContact O-NH1 3.36Å
229	F	84.3	Confident	62	Low	40 Å²	40	79 Å²	79	18%	0.175	43%	0.427	C	S	.	.	S	Bend	trans	-91.2	-23.2	-175.4	-46.4	-62.2	0	0	0	113	C227 F247 V251 H255 I258 Y261 L300	C227-F229 VanDerWaalsContact C-N 3.29Å; C227-F229 PolarHBondContact O-N 2.99Å; F229-F247 HydrophobicContact CE2-CZ 4.27Å; F229-V251 HydrophobicContact CD2-CG2 4.05Å; F229-V251 HydrophobicContact CE2-CG2 4.11Å; F229-H255 HydrophobicContact CB-CB 4.33Å; F229-H255 VanDerWaalsContact CB-CE1 3.46Å; F229-H255 WeakPolarHBondContact CB-CE1 3.48Å; F229-H255 WeakPolarHBondContact CB-ND1 3.42Å; F229-H255 HydrophobicContact CD2-CB 4.47Å; F229-H255 PolarHBondContact O-CE1 3.4Å; F229-H255 VanDerWaalsContact O-CE1 3.23Å; F229-I258 HydrophobicContact CD1-CD1 3.72Å; F229-I258 HydrophobicContact CD1-CG1 4.07Å; F229-I258 HydrophobicContact CD2-CG1 4.05Å; F229-I258 HydrophobicContact CE1-CD1 3.63Å; F229-I258 HydrophobicContact CE1-CG1 4.07Å; F229-I258 HydrophobicContact CE1-CG2 4.5Å; F229-I258 HydrophobicContact CE2-CG1 4.05Å; F229-I258 HydrophobicContact CE2-CG2 4.05Å; F229-I258 HydrophobicContact CG-CD1 4.22Å; F229-I258 HydrophobicContact CG-CG1 4.06Å; F229-I258 HydrophobicContact CZ-CD1 4.05Å; F229-I258 HydrophobicContact CZ-CG1 4.06Å; F229-I258 HydrophobicContact CZ-CG2 3.86Å; F229-Y261 HydrophobicContact CE2-CE1 4.01Å; F229-Y261 HydrophobicContact CZ-CD1 4.32Å; F229-Y261 AromaticContact CZ-CE1 3.93Å; F229-Y261 HydrophobicContact CZ-CE1 3.93Å; F229-L300 HydrophobicContact CE1-CB 4.04Å; F229-L300 HydrophobicContact CZ-CB 4.27Å; F229-L300 HydrophobicContact CZ-CD1 4.06Å
230	C	80.7	Confident	62.5	Low	32 Å²	32	72.1 Å²	72.1	22%	0.216	40%	0.402	C	S	.	.	S	Bend	trans	-66.6	146.4	175.4	-88.4	0	0	0	0	112.4	C227 H250 H255 R301	C227-C230 HydrophobicContact CB-CB 3.96Å; C230-H250 PolarHBondContact SG-CE1 3.03Å; C230-H250 PolarHBondContact SG-NE2 3.27Å; C230-H255 PolarHBondContact N-NE2 2.75Å; C230-H255 PolarHBondContact SG-NE2 3.1Å; C230-H255 VanDerWaalsContact SG-NE2 3.41Å; C230-R301 PolarHBondContact O-NH1 2.98Å
231	P	69.4	Low	63.5	Low	111 Å²	111	70.3 Å²	70.3	72%	0.721	39%	0.391	S	S	*	.			trans	-50.8	144.1	157.7	-23	33.8	0	0	0	110.9	V233	P231-V233 PolarHBondContact O-N 3.41Å; P231-V233 VanDerWaalsContact O-N 3.08Å
232	R	62.5	Low	64.8	Low	136 Å²	136	67.6 Å²	67.6	51%	0.513	37%	0.372	S	S	.	.			trans	-71.5	103.1	173	-73.7	-176.6	174.5	-160.6	-2.5	109.2	D464	R232-D464 PolarHBondContact NH1-O 3.3Å
233	V	51.9	Low	66	Low	116 Å²	116	64.9 Å²	64.9	70%	0.703	36%	0.359	S	S	*	.			trans	-79.7	128.2	155.2	-170.7	0	0	0	0	106.6	P231	P231-V233 PolarHBondContact O-N 3.41Å; P231-V233 VanDerWaalsContact O-N 3.08Å
234	I	37.2	Very low	67.1	Low	56 Å²	56	58.4 Å²	58.4	29%	0.287	33%	0.329	S	S	.	.	S	Bend	trans	-71.6	159.7	-175.2	-68.4	171.2	0	0	0	110.2	E564	I234-E564 HydrophobicContact CD1-CB 3.92Å; I234-E564 VanDerWaalsContact CD1-CD 3.47Å; I234-E564 HydrophobicContact CD1-CG 3.45Å; I234-E564 VanDerWaalsContact CD1-CG 3.45Å; I234-E564 WeakPolarHBondContact CD1-OE1 3.48Å
235	N	30.4	Very low	67.5	Low	105 Å²	105	62.6 Å²	62.6	56%	0.561	35%	0.348	S	S	*	.			trans	73.9	42.3	-179.2	-62.3	-28.7	0	0	0	117.8	E562	N235-E562 PolarHBondContact ND2-O 3.46Å
236	Q	46	Very low	68.1	Low	93 Å²	93	62 Å²	62	44%	0.435	34%	0.344	S	S	.	.			trans	-129.4	78.4	168.4	-70.9	-175.6	-16	0	0	113.8	P225 N238	P225-Q236 HydrophobicContact CB-CB 4.15Å; P225-Q236 HydrophobicContact CB-CG 4.35Å; P225-Q236 VanDerWaalsContact CB-OE1 3.28Å; Q236-N238 PolarHBondContact O-N 3.21Å
237	S	43.4	Very low	68.9	Low	109 Å²	109	60.9 Å²	60.9	76%	0.762	33%	0.333	S	S	*	.			trans	-76.5	44.5	175.7	48.2	0	0	0	0	114	D239	S237-D239 PolarHBondContact O-N 3.06Å
238	N	53.2	Low	69.2	Low	75 Å²	75	62.1 Å²	62.1	40%	0.401	34%	0.34	S	S	.	.			trans	-89.1	92.1	-173.2	-164.9	5.5	0	0	0	113.2	P225 Q236 A240	P225-N238 HydrophobicContact CB-CB 4.21Å; Q236-N238 PolarHBondContact O-N 3.21Å; N238-A240 PolarHBondContact O-N 3.04Å; N238-A240 WeakPolarHBondContact OD1-CB 3.36Å; N238-A240 PolarHBondContact OD1-N 3.31Å
239	D	58.8	Low	69.8	Low	141 Å²	141	63.2 Å²	63.2	75%	0.754	35%	0.346	S	S	*	.			trans	-69.6	-3.7	173.8	-71.6	-31	0	0	0	114.4	S237 R291	S237-D239 PolarHBondContact O-N 3.06Å; D239-R291 PolarHBondContact O-NH2 3.08Å
240	A	67.7	Low	70	Confident	41 Å²	41	61.5 Å²	61.5	34%	0.339	34%	0.339	S	S	.	.	S	Bend	trans	-63.7	148.8	179.3	0	0	0	0	0	111.7	N238	N238-A240 PolarHBondContact O-N 3.04Å; N238-A240 WeakPolarHBondContact OD1-CB 3.36Å; N238-A240 PolarHBondContact OD1-N 3.31Å
241	P	79	Confident	70.4	Confident	25 Å²	25	60.1 Å²	60.1	16%	0.162	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.3	146.1	166.3	31.2	-31.7	0	0	0	110.3	W195 R291 P292	W195-P241 HydrophobicContact CG-CB 4.43Å; W195-P241 HydrophobicContact CG-CG 4.27Å; P241-R291 HydrophobicContact CB-CB 4.05Å; P241-R291 HydrophobicContact CB-CG 3.88Å; P241-P292 CarbonylContact C-O 3.02Å; P241-P292 WeakPolarHBondContact CA-O 3.35Å; P241-P292 WeakPolarHBondContact CB-O 3.36Å
242	F	83.8	Confident	71.3	Confident	11 Å²	11	62 Å²	62	5%	0.048	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-64.6	145.4	167.6	-61.7	-64.7	0	0	0	110.7	W195 L224 P225 F247 P292 S293 P294 L297	W195-F242 PolarHBondContact NE1-O 3.46Å; L224-F242 HydrophobicContact CD1-CD1 4.2Å; L224-F242 HydrophobicContact CD2-CD1 3.61Å; L224-F242 HydrophobicContact CD2-CE1 3.58Å; L224-F242 HydrophobicContact CD2-CG 4.31Å; L224-F242 HydrophobicContact CD2-CZ 4.26Å; L224-F242 HydrophobicContact CG-CD1 3.8Å; L224-F242 HydrophobicContact CG-CE1 3.71Å; P225-F242 WeakPolarHBondContact O-CE1 2.8Å; P225-F242 WeakPolarHBondContact O-CZ 3.29Å; F242-F247 HydrophobicContact CB-CB 4.12Å; F242-F247 HydrophobicContact CB-CD2 4Å; F242-F247 HydrophobicContact CB-CG 4.48Å; F242-F247 HydrophobicContact CD1-CD2 4.2Å; F242-F247 AromaticContact CD2-CD2 3.58Å; F242-F247 HydrophobicContact CD2-CD2 3.58Å; F242-F247 AromaticContact CD2-CE2 3.9Å; F242-F247 HydrophobicContact CD2-CE2 3.9Å; F242-F247 HydrophobicContact CE2-CD2 4.03Å; F242-F247 AromaticContact CE2-CE2 3.96Å; F242-F247 HydrophobicContact CE2-CE2 3.96Å; F242-F247 AromaticContact CG-CD2 3.68Å; F242-F247 HydrophobicContact CG-CD2 3.68Å; F242-F247 HydrophobicContact CG-CE2 4.42Å; F242-P292 HydrophobicContact CB-CB 4.44Å; F242-P292 HydrophobicContact CB-CG 4.23Å; F242-P292 HydrophobicContact CD2-CB 4.28Å; F242-P292 PolarHBondContact N-O 2.94Å; F242-S293 VanDerWaalsContact CE2-C 3.41Å; F242-P294 HydrophobicContact CE1-CG 4.37Å; F242-P294 HydrophobicContact CE2-CG 4.14Å; F242-P294 HydrophobicContact CZ-CG 3.69Å; F242-L297 HydrophobicContact CD2-CD1 3.97Å; F242-L297 HydrophobicContact CE2-CD1 3.9Å
243	H	85.9	Confident	72.6	Confident	57 Å²	57	61.7 Å²	61.7	26%	0.264	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-81.1	136.4	164.3	-69.5	-135.3	0	0	0	108.5	E196 D218 H245 S246 F247	E196-H243 WeakPolarHBondContact OE1-CA 3.26Å; D218-H243 IonicContact OD1-CE1 2.69Å; D218-H243 PolarHBondContact OD1-CE1 3Å; D218-H243 IonicContact OD1-ND1 3.97Å; D218-H243 PolarHBondContact OD1-ND1 2.88Å; D218-H243 IonicContact OD2-CE1 3.77Å; D218-H243 IonicContact OD2-CG 3.1Å; D218-H243 IonicContact OD2-ND1 2.69Å; D218-H243 PolarHBondContact OD2-ND1 3.38Å; H243-H245 VanDerWaalsContact C-N 3.33Å; H243-H245 PolarHBondContact O-N 2.92Å; H243-S246 PolarHBondContact O-N 3.24Å; H243-F247 WeakPolarHBondContact O-CB 3.28Å; H243-F247 PolarHBondContact O-N 3.33Å
244	I	87.8	Confident	74.2	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-56.8	-47.2	-174.4	-71.6	165.6	0	0	0	110.6	W195 E196 L211 N248 I275 E276	W195-I244 HydrophobicContact CH2-CD1 4.02Å; W195-I244 HydrophobicContact CH2-CG1 4.4Å; W195-I244 HydrophobicContact CZ2-CD1 3.93Å; W195-I244 HydrophobicContact CZ2-CG1 3.93Å; E196-I244 WeakPolarHBondContact OE1-CB 3.29Å; E196-I244 WeakPolarHBondContact OE1-CG1 3.3Å; E196-I244 PolarHBondContact OE1-N 3.44Å; L211-I244 HydrophobicContact CB-CD1 4.05Å; L211-I244 HydrophobicContact CD2-CD1 3.89Å; I244-N248 WeakPolarHBondContact O-CB 3.3Å; I244-N248 VanDerWaalsContact O-CG 3.25Å; I244-N248 PolarHBondContact O-N 2.81Å; I244-N248 PolarHBondContact O-ND2 2.7Å; I244-I275 HydrophobicContact CB-CG2 4.46Å; I244-I275 HydrophobicContact CG1-CG2 4.29Å; I244-I275 HydrophobicContact CG2-CG2 4.3Å; I244-E276 HydrophobicContact CD1-CB 4.13Å; I244-E276 HydrophobicContact CG2-CB 4Å; I244-E276 HydrophobicContact CG2-CG 4.4Å; I244-E276 WeakPolarHBondContact CG2-OE2 3.25Å
245	H	87.1	Confident	76.6	Confident	102 Å²	102	59.4 Å²	59.4	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-50.6	-179.3	-172	46.6	0	0	0	111.5	H243 F247 N248 T249	H243-H245 VanDerWaalsContact C-N 3.33Å; H243-H245 PolarHBondContact O-N 2.92Å; H245-F247 PolarHBondContact O-N 3.08Å; H245-N248 PolarHBondContact O-N 2.63Å; H245-T249 PolarHBondContact CE1-OG1 3.22Å; H245-T249 WeakPolarHBondContact O-CB 3.46Å; H245-T249 PolarHBondContact O-N 2.9Å; H245-T249 PolarHBondContact O-OG1 3.47Å; H245-T249 VanDerWaalsContact O-OG1 3.06Å
246	S	86.9	Confident	79.3	Confident	11 Å²	11	58.7 Å²	58.7	8%	0.077	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-41.3	-179.7	-46	0	0	0	0	112.4	H243 H250	H243-S246 PolarHBondContact O-N 3.24Å; S246-H250 WeakPolarHBondContact O-CB 3.44Å; S246-H250 PolarHBondContact O-N 3.29Å
247	F	88.9	Confident	81.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-50.8	176.4	-170.2	-81.8	0	0	0	111.8	L224 P228 F229 F242 H243 H245 T249 H250 V251 Y261 I275 L297	L224-F247 HydrophobicContact CD2-CB 4.15Å; L224-F247 HydrophobicContact CD2-CD2 3.47Å; L224-F247 VanDerWaalsContact CD2-CD2 3.47Å; L224-F247 HydrophobicContact CD2-CE2 4.13Å; L224-F247 HydrophobicContact CD2-CG 4.09Å; P228-F247 HydrophobicContact CG-CZ 4.29Å; F229-F247 HydrophobicContact CE2-CZ 4.27Å; F242-F247 HydrophobicContact CB-CB 4.12Å; F242-F247 HydrophobicContact CB-CD2 4Å; F242-F247 HydrophobicContact CB-CG 4.48Å; F242-F247 HydrophobicContact CD1-CD2 4.2Å; F242-F247 AromaticContact CD2-CD2 3.58Å; F242-F247 HydrophobicContact CD2-CD2 3.58Å; F242-F247 AromaticContact CD2-CE2 3.9Å; F242-F247 HydrophobicContact CD2-CE2 3.9Å; F242-F247 HydrophobicContact CE2-CD2 4.03Å; F242-F247 AromaticContact CE2-CE2 3.96Å; F242-F247 HydrophobicContact CE2-CE2 3.96Å; F242-F247 AromaticContact CG-CD2 3.68Å; F242-F247 HydrophobicContact CG-CD2 3.68Å; F242-F247 HydrophobicContact CG-CE2 4.42Å; H243-F247 WeakPolarHBondContact O-CB 3.28Å; H243-F247 PolarHBondContact O-N 3.33Å; H245-F247 PolarHBondContact O-N 3.08Å; F247-T249 PolarHBondContact O-N 3.38Å; F247-H250 PolarHBondContact O-N 2.69Å; F247-V251 HydrophobicContact CD1-CG2 3.91Å; F247-V251 HydrophobicContact CE1-CG2 3.45Å; F247-V251 VanDerWaalsContact CE1-CG2 3.45Å; F247-V251 HydrophobicContact CZ-CG2 3.88Å; F247-V251 WeakPolarHBondContact O-CG2 3.45Å; F247-V251 PolarHBondContact O-N 2.83Å; F247-Y261 HydrophobicContact CE1-CE1 4.37Å; F247-I275 HydrophobicContact CB-CG2 4.26Å; F247-I275 HydrophobicContact CD1-CB 3.84Å; F247-I275 HydrophobicContact CD1-CD1 3.55Å; F247-I275 HydrophobicContact CD1-CG1 4.32Å; F247-I275 HydrophobicContact CD1-CG2 3.97Å; F247-I275 HydrophobicContact CD2-CD1 4.1Å; F247-I275 HydrophobicContact CE1-CB 4.22Å; F247-I275 HydrophobicContact CE1-CD1 3.49Å; F247-I275 VanDerWaalsContact CE1-CD1 3.49Å; F247-I275 HydrophobicContact CE1-CG1 4.42Å; F247-I275 HydrophobicContact CE2-CD1 4.06Å; F247-I275 HydrophobicContact CG-CD1 3.88Å; F247-I275 HydrophobicContact CG-CG2 4.32Å; F247-I275 HydrophobicContact CZ-CD1 3.77Å; F247-L297 HydrophobicContact CD2-CD1 4.23Å; F247-L297 HydrophobicContact CE2-CD1 3.38Å; F247-L297 HydrophobicContact CZ-CD1 3.63Å
248	N	90.9	Very high	83.2	Confident	28 Å²	28	55.5 Å²	55.5	15%	0.15	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-42.9	179.6	-73.6	-18	0	0	0	112	I244 H245 V251 H252 I275 E276	I244-N248 WeakPolarHBondContact O-CB 3.3Å; I244-N248 VanDerWaalsContact O-CG 3.25Å; I244-N248 PolarHBondContact O-N 2.81Å; I244-N248 PolarHBondContact O-ND2 2.7Å; H245-N248 PolarHBondContact O-N 2.63Å; N248-V251 PolarHBondContact O-N 2.66Å; N248-H252 VanDerWaalsContact O-CB 3.22Å; N248-H252 WeakPolarHBondContact O-CB 3.22Å; N248-H252 PolarHBondContact O-N 3.09Å; N248-I275 PolarHBondContact OD1-N 2.79Å; N248-E276 PolarHBondContact ND2-OE2 3.49Å
249	T	89.2	Confident	84.7	Confident	28 Å²	28	59.7 Å²	59.7	17%	0.172	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-38.7	178.4	-65	0	0	0	0	111.6	V220 H245 F247 R253	V220-T249 HydrophobicContact CG1-CG2 3.87Å; H245-T249 PolarHBondContact CE1-OG1 3.22Å; H245-T249 WeakPolarHBondContact O-CB 3.46Å; H245-T249 PolarHBondContact O-N 2.9Å; H245-T249 PolarHBondContact O-OG1 3.47Å; H245-T249 VanDerWaalsContact O-OG1 3.06Å; F247-T249 PolarHBondContact O-N 3.38Å; T249-R253 WeakPolarHBondContact O-CB 3.16Å; T249-R253 VanDerWaalsContact O-CG 3.25Å; T249-R253 WeakPolarHBondContact O-CG 3.41Å; T249-R253 PolarHBondContact O-N 3.12Å; T249-R253 VanDerWaalsContact O-N 3.11Å
250	H	88.9	Confident	86.1	Confident	5 Å²	5	55 Å²	55	2%	0.023	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-49.3	174.3	174	82.7	0	0	0	111.8	E222 L224 C227 C230 S246 F247 H252 R253 F254 H255	E222-H250 PolarHBondContact O-ND1 3.17Å; L224-H250 HydrophobicContact CB-CB 3.85Å; L224-H250 HydrophobicContact CD1-CB 4.39Å; L224-H250 HydrophobicContact CD2-CB 4.2Å; L224-H250 HydrophobicContact CG-CB 4.38Å; C227-H250 VanDerWaalsContact SG-CD2 3.59Å; C227-H250 PolarHBondContact SG-NE2 3.11Å; C230-H250 PolarHBondContact SG-CE1 3.03Å; C230-H250 PolarHBondContact SG-NE2 3.27Å; S246-H250 WeakPolarHBondContact O-CB 3.44Å; S246-H250 PolarHBondContact O-N 3.29Å; F247-H250 PolarHBondContact O-N 2.69Å; H250-H252 PolarHBondContact O-N 3.15Å; H250-R253 PolarHBondContact O-N 3.48Å; H250-R253 VanDerWaalsContact O-N 3.13Å; H250-F254 AromaticContact CE1-CD2 3.72Å; H250-F254 AromaticContact ND1-CD2 3.36Å; H250-F254 WeakPolarHBondContact ND1-CD2 3.34Å; H250-F254 AromaticContact ND1-CE2 3.87Å; H250-F254 WeakPolarHBondContact O-CD2 3.32Å; H250-F254 PolarHBondContact O-N 3.14Å; H250-H255 AromaticContact NE2-CD2 3.91Å
251	V	89.4	Confident	87	Confident	2 Å²	2	53 Å²	53	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-43.6	176.9	171.3	0	0	0	0	111.4	F229 F247 N248 R253 H255 I258	F229-V251 HydrophobicContact CD2-CG2 4.05Å; F229-V251 HydrophobicContact CE2-CG2 4.11Å; F247-V251 HydrophobicContact CD1-CG2 3.91Å; F247-V251 HydrophobicContact CE1-CG2 3.45Å; F247-V251 VanDerWaalsContact CE1-CG2 3.45Å; F247-V251 HydrophobicContact CZ-CG2 3.88Å; F247-V251 WeakPolarHBondContact O-CG2 3.45Å; F247-V251 PolarHBondContact O-N 2.83Å; N248-V251 PolarHBondContact O-N 2.66Å; V251-R253 VanDerWaalsContact C-N 3.26Å; V251-R253 PolarHBondContact O-N 2.91Å; V251-H255 HydrophobicContact CG1-CB 4.1Å; V251-H255 CarbonylContact O-C 3.45Å; V251-H255 WeakPolarHBondContact O-CA 3.13Å; V251-H255 PolarHBondContact O-N 2.9Å; V251-I258 HydrophobicContact CG1-CB 3.97Å; V251-I258 HydrophobicContact CG1-CG2 4.28Å
252	H	89.4	Confident	86.8	Confident	150 Å²	150	53.6 Å²	53.6	69%	0.694	26%	0.258	S	S	*	.	H	α-helix	trans	-62.5	-30.5	176.7	-173.1	-51.8	0	0	0	113.1	N248 H250	N248-H252 VanDerWaalsContact O-CB 3.22Å; N248-H252 WeakPolarHBondContact O-CB 3.22Å; N248-H252 PolarHBondContact O-N 3.09Å; H250-H252 PolarHBondContact O-N 3.15Å
253	R	88.4	Confident	86.3	Confident	131 Å²	131	53.1 Å²	53.1	49%	0.494	26%	0.256	S	S	.	.	H	α-helix	trans	-86.4	-42.8	-179	-75.8	177.3	177.9	-161.3	3.3	113.5	E222 T249 H250 V251	E222-R253 IonicContact OE1-CZ 3.48Å; E222-R253 IonicContact OE1-NH1 3.27Å; E222-R253 PolarHBondContact OE1-NH1 3.01Å; T249-R253 WeakPolarHBondContact O-CB 3.16Å; T249-R253 VanDerWaalsContact O-CG 3.25Å; T249-R253 WeakPolarHBondContact O-CG 3.41Å; T249-R253 PolarHBondContact O-N 3.12Å; T249-R253 VanDerWaalsContact O-N 3.11Å; H250-R253 PolarHBondContact O-N 3.48Å; H250-R253 VanDerWaalsContact O-N 3.13Å; V251-R253 VanDerWaalsContact C-N 3.26Å; V251-R253 PolarHBondContact O-N 2.91Å
254	F	86	Confident	85.3	Confident	106 Å²	106	50.7 Å²	50.7	47%	0.465	25%	0.245	S	C	.	.	H	α-helix	trans	-108.1	-17.6	-170	-63.8	-81.1	0	0	0	113.8	E222 H250 P256	E222-F254 WeakPolarHBondContact O-CE2 3.49Å; H250-F254 AromaticContact CE1-CD2 3.72Å; H250-F254 AromaticContact ND1-CD2 3.36Å; H250-F254 WeakPolarHBondContact ND1-CD2 3.34Å; H250-F254 AromaticContact ND1-CE2 3.87Å; H250-F254 WeakPolarHBondContact O-CD2 3.32Å; H250-F254 PolarHBondContact O-N 3.14Å; F254-P256 VanDerWaalsContact C-CD 3.47Å
255	H	87.4	Confident	84	Confident	17 Å²	17	50.6 Å²	50.6	8%	0.079	24%	0.244	C	C	.	.			trans	-134.5	50.8	-175.5	-63.6	-64.9	0	0	0	113.7	F229 C230 H250 V251 E257 I258	F229-H255 HydrophobicContact CB-CB 4.33Å; F229-H255 VanDerWaalsContact CB-CE1 3.46Å; F229-H255 WeakPolarHBondContact CB-CE1 3.48Å; F229-H255 WeakPolarHBondContact CB-ND1 3.42Å; F229-H255 HydrophobicContact CD2-CB 4.47Å; F229-H255 PolarHBondContact O-CE1 3.4Å; F229-H255 VanDerWaalsContact O-CE1 3.23Å; C230-H255 PolarHBondContact N-NE2 2.75Å; C230-H255 PolarHBondContact SG-NE2 3.1Å; C230-H255 VanDerWaalsContact SG-NE2 3.41Å; H250-H255 AromaticContact NE2-CD2 3.91Å; V251-H255 HydrophobicContact CG1-CB 4.1Å; V251-H255 CarbonylContact O-C 3.45Å; V251-H255 WeakPolarHBondContact O-CA 3.13Å; V251-H255 PolarHBondContact O-N 2.9Å; H255-E257 VanDerWaalsContact CA-OE1 3.24Å; H255-E257 WeakPolarHBondContact CA-OE1 3.22Å; H255-E257 VanDerWaalsContact CA-OE2 3.3Å; H255-E257 WeakPolarHBondContact CA-OE2 3.41Å; H255-E257 WeakPolarHBondContact CB-OE1 3.3Å; H255-E257 IonicContact CG-OE1 3.61Å; H255-E257 IonicContact ND1-OE1 3.08Å; H255-E257 PolarHBondContact ND1-OE1 2.99Å; H255-E257 PolarHBondContact O-N 3.04Å; H255-E257 VanDerWaalsContact O-N 3.08Å; H255-I258 HydrophobicContact CB-CG1 3.97Å; H255-I258 PolarHBondContact O-N 3.32Å
256	P	87.5	Confident	83	Confident	90 Å²	90	46.9 Å²	46.9	58%	0.584	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.5	-177.9	30.3	-38.1	0	0	0	114.6	F254 I258	F254-P256 VanDerWaalsContact C-CD 3.47Å; P256-I258 VanDerWaalsContact C-N 3.29Å
257	E	85.2	Confident	82.1	Confident	111 Å²	111	48.6 Å²	48.6	52%	0.519	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.1	169	64.8	-76.1	175.5	0	0	113.3	H255 K259	H255-E257 VanDerWaalsContact CA-OE1 3.24Å; H255-E257 WeakPolarHBondContact CA-OE1 3.22Å; H255-E257 VanDerWaalsContact CA-OE2 3.3Å; H255-E257 WeakPolarHBondContact CA-OE2 3.41Å; H255-E257 WeakPolarHBondContact CB-OE1 3.3Å; H255-E257 IonicContact CG-OE1 3.61Å; H255-E257 IonicContact ND1-OE1 3.08Å; H255-E257 PolarHBondContact ND1-OE1 2.99Å; H255-E257 PolarHBondContact O-N 3.04Å; H255-E257 VanDerWaalsContact O-N 3.08Å; E257-K259 PolarHBondContact O-N 3.14Å
258	I	85.6	Confident	81.3	Confident	25 Å²	25	52.7 Å²	52.7	13%	0.128	26%	0.259	C	S	.	.			trans	-79.6	91.4	-173.4	-54.7	-60.6	0	0	0	111.2	F229 V251 H255 P256 Y261 C273	F229-I258 HydrophobicContact CD1-CD1 3.72Å; F229-I258 HydrophobicContact CD1-CG1 4.07Å; F229-I258 HydrophobicContact CD2-CG1 4.05Å; F229-I258 HydrophobicContact CE1-CD1 3.63Å; F229-I258 HydrophobicContact CE1-CG1 4.07Å; F229-I258 HydrophobicContact CE1-CG2 4.5Å; F229-I258 HydrophobicContact CE2-CG1 4.05Å; F229-I258 HydrophobicContact CE2-CG2 4.05Å; F229-I258 HydrophobicContact CG-CD1 4.22Å; F229-I258 HydrophobicContact CG-CG1 4.06Å; F229-I258 HydrophobicContact CZ-CD1 4.05Å; F229-I258 HydrophobicContact CZ-CG1 4.06Å; F229-I258 HydrophobicContact CZ-CG2 3.86Å; V251-I258 HydrophobicContact CG1-CB 3.97Å; V251-I258 HydrophobicContact CG1-CG2 4.28Å; H255-I258 HydrophobicContact CB-CG1 3.97Å; H255-I258 PolarHBondContact O-N 3.32Å; P256-I258 VanDerWaalsContact C-N 3.29Å; I258-Y261 HydrophobicContact CG2-CD1 4.2Å; I258-Y261 HydrophobicContact CG2-CE1 3.63Å; I258-C273 WeakPolarHBondContact O-CB 3.07Å
259	K	85.6	Confident	80.8	Confident	163 Å²	163	56 Å²	56	71%	0.709	28%	0.277	S	S	*	.			trans	-92.9	-10.2	-179.2	-67.8	168.3	-174.8	169.5	0	114.6	E257 S272	E257-K259 PolarHBondContact O-N 3.14Å; K259-S272 CarbonylContact O-C 3.02Å
260	S	88	Confident	80.6	Confident	41 Å²	41	55.8 Å²	55.8	29%	0.287	27%	0.274	S	S	.	.			trans	-163.3	141.2	-171.9	53.1	0	0	0	0	112	I270 S272	S260-I270 WeakPolarHBondContact CA-O 3.29Å; S260-I270 WeakPolarHBondContact CB-O 3.41Å; S260-S272 WeakPolarHBondContact CA-O 3.39Å
261	Y	85.1	Confident	80.5	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.2	173.6	-58.4	-66.2	0	0	0	112.1	F229 F247 I258 I270 S272 C273 I275 L278 L300	F229-Y261 HydrophobicContact CE2-CE1 4.01Å; F229-Y261 HydrophobicContact CZ-CD1 4.32Å; F229-Y261 AromaticContact CZ-CE1 3.93Å; F229-Y261 HydrophobicContact CZ-CE1 3.93Å; F247-Y261 HydrophobicContact CE1-CE1 4.37Å; I258-Y261 HydrophobicContact CG2-CD1 4.2Å; I258-Y261 HydrophobicContact CG2-CE1 3.63Å; Y261-I270 PolarHBondContact N-O 2.66Å; Y261-I270 WeakPolarHBondContact O-CB 3.3Å; Y261-I270 PolarHBondContact O-N 2.79Å; Y261-S272 WeakPolarHBondContact CD2-O 3.41Å; Y261-C273 VanDerWaalsContact CE2-O 3.24Å; Y261-C273 WeakPolarHBondContact CE2-O 3.25Å; Y261-C273 PolarHBondContact OH-O 2.81Å; Y261-I275 HydrophobicContact CE2-CB 4.48Å; Y261-L278 HydrophobicContact CD2-CB 4.27Å; Y261-L278 HydrophobicContact CG-CD2 4.28Å; Y261-L300 HydrophobicContact CD1-CD1 3.93Å
262	M	76.2	Confident	80.5	Confident	37 Å²	37	65.3 Å²	65.3	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.7	165.6	-175.6	170.3	63.1	0	0	109.5	S264 L267 H299 L300	M262-S264 PolarHBondContact O-N 3.38Å; M262-L267 HydrophobicContact CE-CD2 4.4Å; M262-L267 HydrophobicContact CG-CD2 4.47Å; M262-L267 HydrophobicContact SD-CB 4.35Å; M262-L267 HydrophobicContact SD-CD2 3.99Å; M262-H299 PolarHBondContact O-NE2 2.96Å; M262-H299 VanDerWaalsContact O-NE2 3.12Å; M262-L300 HydrophobicContact CB-CD2 4.4Å
263	C	73.9	Confident	80.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-64.9	120.4	167.8	176.9	0	0	0	0	108.9	Y265 L267 N268 I270 L278 H281	C263-Y265 VanDerWaalsContact C-N 3.29Å; C263-Y265 PolarHBondContact O-N 3.42Å; C263-L267 WeakPolarHBondContact O-CA 3.4Å; C263-L267 PolarHBondContact O-N 3.15Å; C263-N268 PolarHBondContact N-O 2.84Å; C263-I270 HydrophobicContact CB-CD1 4.17Å; C263-L278 HydrophobicContact CB-CD1 4.14Å; C263-H281 PolarHBondContact SG-CD2 2.75Å; C263-H281 PolarHBondContact SG-NE2 3.29Å
264	S	64.7	Low	80.5	Confident	7 Å²	7	59.2 Å²	59.2	5%	0.049	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-48.5	176.9	41.9	0	0	0	0	111.7	M262 L267 H349	M262-S264 PolarHBondContact O-N 3.38Å; S264-L267 WeakPolarHBondContact O-CD2 3.3Å; S264-H349 WeakPolarHBondContact O-CB 3.48Å; S264-H349 PolarHBondContact O-CD2 2.88Å
265	Y	59.3	Low	80.7	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.027	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-48.4	-172.2	-57.6	-87.6	0	0	0	115.2	C263 I282 H286 I288 W290 T311 Q347 H349	C263-Y265 VanDerWaalsContact C-N 3.29Å; C263-Y265 PolarHBondContact O-N 3.42Å; Y265-I282 HydrophobicContact CD2-CD1 4.2Å; Y265-I282 HydrophobicContact CD2-CG1 3.88Å; Y265-I282 HydrophobicContact CD2-CG2 4.02Å; Y265-I282 HydrophobicContact CE2-CB 4.46Å; Y265-I282 HydrophobicContact CE2-CD1 3.94Å; Y265-I282 HydrophobicContact CE2-CG1 3.97Å; Y265-I282 HydrophobicContact CE2-CG2 3.61Å; Y265-H286 WeakPolarHBondContact CB-CE1 3.46Å; Y265-H286 VanDerWaalsContact CB-ND1 3.28Å; Y265-H286 WeakPolarHBondContact CB-ND1 3.38Å; Y265-I288 HydrophobicContact CD1-CD1 3.59Å; Y265-I288 HydrophobicContact CE1-CD1 3.12Å; Y265-I288 HydrophobicContact CE2-CD1 4.35Å; Y265-I288 HydrophobicContact CG-CD1 4.36Å; Y265-W290 VanDerWaalsContact OH-CD1 3.31Å; Y265-T311 HydrophobicContact CE1-CG2 3.87Å; Y265-T311 WeakPolarHBondContact CE1-OG1 3.49Å; Y265-Q347 PolarHBondContact O-NE2 3.36Å; Y265-H349 WeakPolarHBondContact CA-NE2 3.14Å; Y265-H349 AromaticContact CD1-NE2 3.56Å; Y265-H349 AromaticContact CG-NE2 3.96Å
266	C	66.3	Low	80.9	Confident	25 Å²	25	53.8 Å²	53.8	17%	0.169	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-6.3	-179.9	57.9	0	0	0	0	115.1	N268 H281 H286	C266-N268 PolarHBondContact O-N 3.48Å; C266-N268 VanDerWaalsContact O-N 3.08Å; C266-N268 WeakPolarHBondContact SG-CB 3.2Å; C266-N268 VanDerWaalsContact SG-CG 3.52Å; C266-N268 PolarHBondContact SG-N 3.47Å; C266-N268 PolarHBondContact SG-ND2 3.36Å; C266-N268 VanDerWaalsContact SG-ND2 3.41Å; C266-H281 PolarHBondContact SG-CE1 2.82Å; C266-H281 PolarHBondContact SG-NE2 2.9Å; C266-H286 PolarHBondContact SG-NE2 3.03Å
267	L	67.6	Low	81.1	Confident	46 Å²	46	51.3 Å²	51.3	24%	0.241	26%	0.261	C	S	.	.			trans	61	7.4	-171.8	-48.2	173	0	0	0	114.8	M262 C263 S264 L269 L350	M262-L267 HydrophobicContact CE-CD2 4.4Å; M262-L267 HydrophobicContact CG-CD2 4.47Å; M262-L267 HydrophobicContact SD-CB 4.35Å; M262-L267 HydrophobicContact SD-CD2 3.99Å; C263-L267 WeakPolarHBondContact O-CA 3.4Å; C263-L267 PolarHBondContact O-N 3.15Å; S264-L267 WeakPolarHBondContact O-CD2 3.3Å; L267-L269 PolarHBondContact O-N 3.34Å; L267-L350 HydrophobicContact CD1-CB 4.1Å; L267-L350 WeakPolarHBondContact CD1-O 3.18Å; L267-L350 WeakPolarHBondContact CD2-O 3.45Å
268	N	71.8	Confident	81.3	Confident	86 Å²	86	46 Å²	46	46%	0.46	24%	0.237	S	C	.	.			trans	-63.1	136.4	171.6	-68.5	-22.1	0	0	0	109.8	C263 C266 H281	C263-N268 PolarHBondContact N-O 2.84Å; C266-N268 PolarHBondContact O-N 3.48Å; C266-N268 VanDerWaalsContact O-N 3.08Å; C266-N268 WeakPolarHBondContact SG-CB 3.2Å; C266-N268 VanDerWaalsContact SG-CG 3.52Å; C266-N268 PolarHBondContact SG-N 3.47Å; C266-N268 PolarHBondContact SG-ND2 3.36Å; C266-N268 VanDerWaalsContact SG-ND2 3.41Å; N268-H281 PolarHBondContact ND2-CE1 3.19Å
269	L	80.8	Confident	81.5	Confident	98 Å²	98	44.9 Å²	44.9	51%	0.513	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.4	172.7	-166.4	73.1	0	0	0	109.3	L267	L267-L269 PolarHBondContact O-N 3.34Å
270	I	86.5	Confident	81.7	Confident	23 Å²	23	37.8 Å²	37.8	12%	0.118	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.5	176.9	-59.5	176.5	0	0	0	107	S260 Y261 C263 S272 D277 L278 H281	S260-I270 WeakPolarHBondContact CA-O 3.29Å; S260-I270 WeakPolarHBondContact CB-O 3.41Å; Y261-I270 PolarHBondContact N-O 2.66Å; Y261-I270 WeakPolarHBondContact O-CB 3.3Å; Y261-I270 PolarHBondContact O-N 2.79Å; C263-I270 HydrophobicContact CB-CD1 4.17Å; I270-S272 PolarHBondContact O-N 2.94Å; I270-D277 HydrophobicContact CG2-CB 4.2Å; I270-L278 HydrophobicContact CD1-CB 4.16Å; I270-L278 HydrophobicContact CD1-CD1 3.67Å; I270-H281 HydrophobicContact CD1-CB 3.43Å; I270-H281 VanDerWaalsContact CD1-CB 3.43Å; I270-H281 HydrophobicContact CG1-CB 4.41Å
271	Q	86.7	Confident	81.6	Confident	183 Å²	183	37.5 Å²	37.5	86%	0.855	20%	0.196	S	C	*	.	S	Bend	trans	-77.3	55.1	-174.3	-64.5	-179.2	-19.5	0	0	112.1
272	S	88.2	Confident	81.4	Confident	24 Å²	24	37.4 Å²	37.4	17%	0.168	20%	0.196	C	C	.	.			trans	-152.2	140.6	178.1	-173	0	0	0	0	110.1	K259 S260 Y261 I270 K274 D277	K259-S272 CarbonylContact O-C 3.02Å; S260-S272 WeakPolarHBondContact CA-O 3.39Å; Y261-S272 WeakPolarHBondContact CD2-O 3.41Å; I270-S272 PolarHBondContact O-N 2.94Å; S272-K274 VanDerWaalsContact C-N 3.26Å; S272-K274 WeakPolarHBondContact OG-CB 3.41Å; S272-K274 PolarHBondContact OG-N 2.94Å; S272-D277 VanDerWaalsContact CB-OD2 3.28Å; S272-D277 WeakPolarHBondContact CB-OD2 3.18Å; S272-D277 PolarHBondContact OG-OD2 2.69Å
273	C	86.7	Confident	81.6	Confident	62 Å²	62	35.7 Å²	35.7	42%	0.419	19%	0.187	S	C	.	.	S	Bend	trans	-83.5	0.8	171.9	60	0	0	0	0	113.3	I258 Y261	I258-C273 WeakPolarHBondContact O-CB 3.07Å; Y261-C273 VanDerWaalsContact CE2-O 3.24Å; Y261-C273 WeakPolarHBondContact CE2-O 3.25Å; Y261-C273 PolarHBondContact OH-O 2.81Å
274	K	90.5	Very high	82.1	Confident	92 Å²	92	37.5 Å²	37.5	40%	0.4	20%	0.197	S	C	.	.			trans	-89.3	126.1	179.7	-77.6	156.9	143.8	-81	0	112.3	S272 E276 D277	S272-K274 VanDerWaalsContact C-N 3.26Å; S272-K274 WeakPolarHBondContact OG-CB 3.41Å; S272-K274 PolarHBondContact OG-N 2.94Å; K274-E276 VanDerWaalsContact C-N 3.33Å; K274-E276 HydrophobicContact CB-CG 4.39Å; K274-E276 WeakPolarHBondContact CB-OE2 3.5Å; K274-E276 IonicContact NZ-OE1 3.54Å; K274-E276 PolarHBondContact NZ-OE1 2.2Å; K274-E276 PolarHBondContact O-N 2.76Å; K274-D277 WeakPolarHBondContact CB-OD2 3.45Å; K274-D277 PolarHBondContact O-N 2.82Å
275	I	91.1	Very high	82.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-71.8	-26.9	-177.2	-163.8	152.6	0	0	0	113.1	I244 F247 N248 Y261 D277 L278 V279 P292 L297	I244-I275 HydrophobicContact CB-CG2 4.46Å; I244-I275 HydrophobicContact CG1-CG2 4.29Å; I244-I275 HydrophobicContact CG2-CG2 4.3Å; F247-I275 HydrophobicContact CB-CG2 4.26Å; F247-I275 HydrophobicContact CD1-CB 3.84Å; F247-I275 HydrophobicContact CD1-CD1 3.55Å; F247-I275 HydrophobicContact CD1-CG1 4.32Å; F247-I275 HydrophobicContact CD1-CG2 3.97Å; F247-I275 HydrophobicContact CD2-CD1 4.1Å; F247-I275 HydrophobicContact CE1-CB 4.22Å; F247-I275 HydrophobicContact CE1-CD1 3.49Å; F247-I275 VanDerWaalsContact CE1-CD1 3.49Å; F247-I275 HydrophobicContact CE1-CG1 4.42Å; F247-I275 HydrophobicContact CE2-CD1 4.06Å; F247-I275 HydrophobicContact CG-CD1 3.88Å; F247-I275 HydrophobicContact CG-CG2 4.32Å; F247-I275 HydrophobicContact CZ-CD1 3.77Å; N248-I275 PolarHBondContact OD1-N 2.79Å; Y261-I275 HydrophobicContact CE2-CB 4.48Å; I275-D277 PolarHBondContact O-N 3.41Å; I275-L278 HydrophobicContact CG1-CD2 4.44Å; I275-L278 WeakPolarHBondContact O-CB 3.45Å; I275-L278 PolarHBondContact O-N 3.14Å; I275-L278 VanDerWaalsContact O-N 3.11Å; I275-V279 VanDerWaalsContact O-CG2 3.3Å; I275-V279 WeakPolarHBondContact O-CG2 3.11Å; I275-V279 PolarHBondContact O-N 3.25Å; I275-P292 HydrophobicContact CD1-CB 3.42Å; I275-P292 VanDerWaalsContact CD1-CB 3.42Å; I275-P292 HydrophobicContact CD1-CG 4.15Å; I275-P292 HydrophobicContact CG1-CB 4.04Å; I275-P292 HydrophobicContact CG1-CG 4.42Å; I275-L297 HydrophobicContact CD1-CD1 3.73Å; I275-L297 HydrophobicContact CD1-CD2 4.15Å
276	E	91.5	Very high	83.5	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-25.4	173.8	66.4	-86.3	-152.6	0	0	113	Q212 I244 N248 K274 S280	Q212-E276 HydrophobicContact CG-CB 4.47Å; Q212-E276 HydrophobicContact CG-CG 3.92Å; I244-E276 HydrophobicContact CD1-CB 4.13Å; I244-E276 HydrophobicContact CG2-CB 4Å; I244-E276 HydrophobicContact CG2-CG 4.4Å; I244-E276 WeakPolarHBondContact CG2-OE2 3.25Å; N248-E276 PolarHBondContact ND2-OE2 3.49Å; K274-E276 VanDerWaalsContact C-N 3.33Å; K274-E276 HydrophobicContact CB-CG 4.39Å; K274-E276 WeakPolarHBondContact CB-OE2 3.5Å; K274-E276 IonicContact NZ-OE1 3.54Å; K274-E276 PolarHBondContact NZ-OE1 2.2Å; K274-E276 PolarHBondContact O-N 2.76Å; E276-S280 WeakPolarHBondContact O-CB 3.5Å; E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 3.35Å
277	D	92.5	Very high	83.8	Confident	38 Å²	38	48.8 Å²	48.8	20%	0.203	25%	0.247	C	C	.	.	H	α-helix	trans	-77.3	-34.5	174.5	-63.3	-32.6	0	0	0	111.1	Q212 I270 S272 K274 I275 S280 H281	Q212-D277 PolarHBondContact NE2-OD1 2.92Å; I270-D277 HydrophobicContact CG2-CB 4.2Å; S272-D277 VanDerWaalsContact CB-OD2 3.28Å; S272-D277 WeakPolarHBondContact CB-OD2 3.18Å; S272-D277 PolarHBondContact OG-OD2 2.69Å; K274-D277 WeakPolarHBondContact CB-OD2 3.45Å; K274-D277 PolarHBondContact O-N 2.82Å; I275-D277 PolarHBondContact O-N 3.41Å; D277-S280 PolarHBondContact O-N 2.83Å; D277-H281 WeakPolarHBondContact O-CB 3.47Å; D277-H281 PolarHBondContact O-N 3.1Å
278	L	89.8	Confident	83.5	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-46.5	167.9	172.9	64.8	0	0	0	111.4	Y261 C263 I270 I275 S280 H281 I282 W290 L297	Y261-L278 HydrophobicContact CD2-CB 4.27Å; Y261-L278 HydrophobicContact CG-CD2 4.28Å; C263-L278 HydrophobicContact CB-CD1 4.14Å; I270-L278 HydrophobicContact CD1-CB 4.16Å; I270-L278 HydrophobicContact CD1-CD1 3.67Å; I275-L278 HydrophobicContact CG1-CD2 4.44Å; I275-L278 WeakPolarHBondContact O-CB 3.45Å; I275-L278 PolarHBondContact O-N 3.14Å; I275-L278 VanDerWaalsContact O-N 3.11Å; L278-S280 VanDerWaalsContact C-N 3.35Å; L278-S280 PolarHBondContact O-N 3.35Å; L278-H281 PolarHBondContact O-N 3.42Å; L278-I282 HydrophobicContact CD1-CD1 3.81Å; L278-I282 HydrophobicContact CD1-CG1 4.32Å; L278-I282 HydrophobicContact CG-CD1 3.97Å; L278-I282 VanDerWaalsContact O-CG1 3.29Å; L278-I282 WeakPolarHBondContact O-CG1 3.32Å; L278-I282 PolarHBondContact O-N 2.99Å; L278-W290 HydrophobicContact CD2-CH2 4.02Å; L278-W290 HydrophobicContact CD2-CZ3 4.49Å; L278-W290 HydrophobicContact CG-CH2 4.44Å; L278-L297 HydrophobicContact CD2-CD2 4.05Å
279	V	88.5	Confident	83.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-47.2	174.9	-178.7	0	0	0	0	110.4	W195 L211 I275 H281 I282 I283 W290	W195-V279 HydrophobicContact CH2-CB 4.48Å; W195-V279 HydrophobicContact CH2-CG1 3.88Å; W195-V279 HydrophobicContact CH2-CG2 3.88Å; W195-V279 HydrophobicContact CZ3-CG1 3.92Å; L211-V279 HydrophobicContact CD1-CG1 3.67Å; I275-V279 VanDerWaalsContact O-CG2 3.3Å; I275-V279 WeakPolarHBondContact O-CG2 3.11Å; I275-V279 PolarHBondContact O-N 3.25Å; V279-H281 VanDerWaalsContact C-N 3.34Å; V279-H281 PolarHBondContact O-N 3.1Å; V279-I282 PolarHBondContact O-N 2.71Å; V279-I282 VanDerWaalsContact O-N 3.15Å; V279-I283 HydrophobicContact CG1-CD1 3.54Å; V279-I283 HydrophobicContact CG1-CG1 4.15Å; V279-I283 WeakPolarHBondContact O-CB 3.13Å; V279-I283 WeakPolarHBondContact O-CG1 3.45Å; V279-I283 PolarHBondContact O-N 3.17Å; V279-W290 HydrophobicContact CB-CE3 4.29Å; V279-W290 HydrophobicContact CB-CZ3 4.47Å; V279-W290 HydrophobicContact CG1-CE3 4.4Å; V279-W290 HydrophobicContact CG2-CE3 3.71Å; V279-W290 HydrophobicContact CG2-CZ3 3.55Å
280	S	90.4	Very high	83	Confident	14 Å²	14	42.9 Å²	42.9	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-38.5	-179.8	-63.8	0	0	0	0	112.1	E276 D277 L278 N284	E276-S280 WeakPolarHBondContact O-CB 3.5Å; E276-S280 PolarHBondContact O-N 3.47Å; E276-S280 PolarHBondContact O-OG 3.35Å; D277-S280 PolarHBondContact O-N 2.83Å; L278-S280 VanDerWaalsContact C-N 3.35Å; L278-S280 PolarHBondContact O-N 3.35Å; S280-N284 VanDerWaalsContact O-CB 3.24Å; S280-N284 WeakPolarHBondContact O-CB 3.37Å; S280-N284 PolarHBondContact O-N 2.99Å; S280-N284 PolarHBondContact O-ND2 3.49Å
281	H	86.3	Confident	82.7	Confident	35 Å²	35	45.7 Å²	45.7	16%	0.162	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-48.2	171.6	175.3	92	0	0	0	111.4	C263 C266 N268 I270 D277 L278 V279 I283 N284 I285 H286	C263-H281 PolarHBondContact SG-CD2 2.75Å; C263-H281 PolarHBondContact SG-NE2 3.29Å; C266-H281 PolarHBondContact SG-CE1 2.82Å; C266-H281 PolarHBondContact SG-NE2 2.9Å; N268-H281 PolarHBondContact ND2-CE1 3.19Å; I270-H281 HydrophobicContact CD1-CB 3.43Å; I270-H281 VanDerWaalsContact CD1-CB 3.43Å; I270-H281 HydrophobicContact CG1-CB 4.41Å; D277-H281 WeakPolarHBondContact O-CB 3.47Å; D277-H281 PolarHBondContact O-N 3.1Å; L278-H281 PolarHBondContact O-N 3.42Å; V279-H281 VanDerWaalsContact C-N 3.34Å; V279-H281 PolarHBondContact O-N 3.1Å; H281-I283 PolarHBondContact O-N 3.45Å; H281-N284 PolarHBondContact O-N 2.81Å; H281-I285 VanDerWaalsContact O-CB 3.25Å; H281-I285 WeakPolarHBondContact O-CB 3.3Å; H281-I285 WeakPolarHBondContact O-CG1 3.46Å; H281-I285 PolarHBondContact O-N 3.27Å; H281-H286 AromaticContact CD2-CD2 3.76Å; H281-H286 AromaticContact CD2-NE2 3.88Å; H281-H286 AromaticContact NE2-CD2 2.79Å; H281-H286 PolarHBondContact NE2-CD2 3.46Å; H281-H286 AromaticContact NE2-CE1 3.47Å; H281-H286 PolarHBondContact NE2-CE1 2.95Å; H281-H286 AromaticContact NE2-NE2 2.2Å; H281-H286 PolarHBondContact NE2-NE2 2.18Å
282	I	79.8	Confident	82.4	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-64.1	-44.4	-178.3	-64.2	163.7	0	0	0	111	Y265 L278 V279 H286 K287 I288 W290	Y265-I282 HydrophobicContact CD2-CD1 4.2Å; Y265-I282 HydrophobicContact CD2-CG1 3.88Å; Y265-I282 HydrophobicContact CD2-CG2 4.02Å; Y265-I282 HydrophobicContact CE2-CB 4.46Å; Y265-I282 HydrophobicContact CE2-CD1 3.94Å; Y265-I282 HydrophobicContact CE2-CG1 3.97Å; Y265-I282 HydrophobicContact CE2-CG2 3.61Å; L278-I282 HydrophobicContact CD1-CD1 3.81Å; L278-I282 HydrophobicContact CD1-CG1 4.32Å; L278-I282 HydrophobicContact CG-CD1 3.97Å; L278-I282 VanDerWaalsContact O-CG1 3.29Å; L278-I282 WeakPolarHBondContact O-CG1 3.32Å; L278-I282 PolarHBondContact O-N 2.99Å; V279-I282 PolarHBondContact O-N 2.71Å; V279-I282 VanDerWaalsContact O-N 3.15Å; I282-H286 CarbonylContact O-C 3.58Å; I282-H286 WeakPolarHBondContact O-CA 3.25Å; I282-H286 WeakPolarHBondContact O-CB 3.36Å; I282-H286 PolarHBondContact O-N 3.41Å; I282-H286 VanDerWaalsContact O-N 3.08Å; I282-K287 PolarHBondContact O-N 2.63Å; I282-K287 VanDerWaalsContact O-N 3.14Å; I282-I288 HydrophobicContact CG2-CB 4.06Å; I282-W290 HydrophobicContact CB-CB 4.28Å; I282-W290 HydrophobicContact CB-CG 4.45Å; I282-W290 HydrophobicContact CD1-CD2 3.54Å; I282-W290 HydrophobicContact CD1-CE3 3.81Å; I282-W290 HydrophobicContact CD1-CG 3.92Å; I282-W290 HydrophobicContact CD1-CH2 4.34Å; I282-W290 HydrophobicContact CD1-CZ2 4.11Å; I282-W290 HydrophobicContact CD1-CZ3 4.19Å; I282-W290 HydrophobicContact CG2-CB 3.53Å; I282-W290 HydrophobicContact CG2-CG 3.81Å
283	I	81.2	Confident	81.8	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.184	C	C	.	.	I	π-helix	trans	-65.5	-44.1	177.7	-69.1	176.6	0	0	0	111.4	W192 G204 L207 L211 V279 H281 K287	W192-I283 HydrophobicContact CE3-CG2 3.93Å; W192-I283 HydrophobicContact CH2-CG2 4.36Å; W192-I283 HydrophobicContact CZ3-CB 4.37Å; W192-I283 HydrophobicContact CZ3-CG1 4.21Å; W192-I283 HydrophobicContact CZ3-CG2 3.72Å; G204-I283 VanDerWaalsContact C-CG2 3.46Å; G204-I283 WeakPolarHBondContact O-CG2 3.39Å; L207-I283 HydrophobicContact CD2-CD1 3.87Å; L207-I283 HydrophobicContact CG-CD1 4.17Å; L211-I283 HydrophobicContact CD1-CD1 3.87Å; V279-I283 HydrophobicContact CG1-CD1 3.54Å; V279-I283 HydrophobicContact CG1-CG1 4.15Å; V279-I283 WeakPolarHBondContact O-CB 3.13Å; V279-I283 WeakPolarHBondContact O-CG1 3.45Å; V279-I283 PolarHBondContact O-N 3.17Å; H281-I283 PolarHBondContact O-N 3.45Å; I283-K287 WeakPolarHBondContact O-CA 3.27Å; I283-K287 WeakPolarHBondContact O-CD 3.28Å; I283-K287 PolarHBondContact O-N 3.44Å
284	N	84.9	Confident	81.2	Confident	37 Å²	37	35.1 Å²	35.1	20%	0.198	17%	0.174	C	C	.	.	I	π-helix	trans	-85.9	-35.9	-173.3	-68.6	-59	0	0	0	114.6	F205 S208 S280 H281 K287	F205-N284 VanDerWaalsContact CA-OD1 3.23Å; F205-N284 WeakPolarHBondContact CA-OD1 3.44Å; F205-N284 PolarHBondContact N-OD1 3.34Å; S208-N284 WeakPolarHBondContact CB-ND2 3.11Å; S208-N284 PolarHBondContact OG-ND2 2.98Å; S280-N284 VanDerWaalsContact O-CB 3.24Å; S280-N284 WeakPolarHBondContact O-CB 3.37Å; S280-N284 PolarHBondContact O-N 2.99Å; S280-N284 PolarHBondContact O-ND2 3.49Å; H281-N284 PolarHBondContact O-N 2.81Å; N284-K287 VanDerWaalsContact O-CE 3.26Å; N284-K287 WeakPolarHBondContact O-CE 3.31Å; N284-K287 PolarHBondContact O-NZ 3.47Å
285	I	81.3	Confident	79.8	Confident	104 Å²	104	33.6 Å²	33.6	53%	0.533	18%	0.179	S	C	.	.	I	π-helix	trans	-90.4	-46.5	-178.7	-54.8	-54.7	0	0	0	110.9	H281	H281-I285 VanDerWaalsContact O-CB 3.25Å; H281-I285 WeakPolarHBondContact O-CB 3.3Å; H281-I285 WeakPolarHBondContact O-CG1 3.46Å; H281-I285 PolarHBondContact O-N 3.27Å
286	H	70.9	Confident	78.7	Confident	37 Å²	37	34.6 Å²	34.6	17%	0.171	19%	0.185	C	C	.	.	I	π-helix	trans	-92.8	-14.2	-174.6	-62.3	-85	0	0	0	113.9	Y265 C266 H281 I282 I288	Y265-H286 WeakPolarHBondContact CB-CE1 3.46Å; Y265-H286 VanDerWaalsContact CB-ND1 3.28Å; Y265-H286 WeakPolarHBondContact CB-ND1 3.38Å; C266-H286 PolarHBondContact SG-NE2 3.03Å; H281-H286 AromaticContact CD2-CD2 3.76Å; H281-H286 AromaticContact CD2-NE2 3.88Å; H281-H286 AromaticContact NE2-CD2 2.79Å; H281-H286 PolarHBondContact NE2-CD2 3.46Å; H281-H286 AromaticContact NE2-CE1 3.47Å; H281-H286 PolarHBondContact NE2-CE1 2.95Å; H281-H286 AromaticContact NE2-NE2 2.2Å; H281-H286 PolarHBondContact NE2-NE2 2.18Å; I282-H286 CarbonylContact O-C 3.58Å; I282-H286 WeakPolarHBondContact O-CA 3.25Å; I282-H286 WeakPolarHBondContact O-CB 3.36Å; I282-H286 PolarHBondContact O-N 3.41Å; I282-H286 VanDerWaalsContact O-N 3.08Å; H286-I288 VanDerWaalsContact C-N 3.28Å; H286-I288 HydrophobicContact CB-CD1 3.94Å; H286-I288 HydrophobicContact CB-CG1 4.18Å; H286-I288 PolarHBondContact O-N 3.43Å
287	K	73.6	Confident	77.9	Confident	136 Å²	136	34.2 Å²	34.2	59%	0.591	18%	0.184	S	C	*	.			trans	58.1	37.7	-178.6	-50.5	-52.4	-167.9	-168.1	0	113.1	I282 I283 N284	I282-K287 PolarHBondContact O-N 2.63Å; I282-K287 VanDerWaalsContact O-N 3.14Å; I283-K287 WeakPolarHBondContact O-CA 3.27Å; I283-K287 WeakPolarHBondContact O-CD 3.28Å; I283-K287 PolarHBondContact O-N 3.44Å; N284-K287 VanDerWaalsContact O-CE 3.26Å; N284-K287 WeakPolarHBondContact O-CE 3.31Å; N284-K287 PolarHBondContact O-NZ 3.47Å
288	I	61.6	Low	76.6	Confident	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.193	C	C	.	.			trans	-108.7	128.8	178.4	-60.6	168.9	0	0	0	109.5	Y265 I282 H286 W290 L313	Y265-I288 HydrophobicContact CD1-CD1 3.59Å; Y265-I288 HydrophobicContact CE1-CD1 3.12Å; Y265-I288 HydrophobicContact CE2-CD1 4.35Å; Y265-I288 HydrophobicContact CG-CD1 4.36Å; I282-I288 HydrophobicContact CG2-CB 4.06Å; H286-I288 VanDerWaalsContact C-N 3.28Å; H286-I288 HydrophobicContact CB-CD1 3.94Å; H286-I288 HydrophobicContact CB-CG1 4.18Å; H286-I288 PolarHBondContact O-N 3.43Å; I288-W290 HydrophobicContact CG2-CB 4.43Å; I288-W290 PolarHBondContact O-N 3.5Å; I288-W290 VanDerWaalsContact O-N 3.08Å; I288-L313 HydrophobicContact CD1-CD2 3.6Å; I288-L313 HydrophobicContact CG1-CD2 4.33Å
289	P	66.8	Low	75.3	Confident	82 Å²	82	36.3 Å²	36.3	53%	0.532	20%	0.201	S	C	.	.			trans	-65.5	105.5	165.1	-16.6	31	0	0	0	108.7	W192	W192-P289 HydrophobicContact CE3-CG 4.4Å; W192-P289 HydrophobicContact CH2-CG 4.25Å; W192-P289 HydrophobicContact CZ3-CB 4.23Å; W192-P289 HydrophobicContact CZ3-CG 3.92Å
290	W	74.7	Confident	74.6	Confident	19 Å²	19	37.3 Å²	37.3	7%	0.072	21%	0.206	C	C	.	.			trans	-125.4	145.8	-172.2	-170.2	90.3	0	0	0	111	W195 Y265 L278 V279 I282 I288 P292 S296 L297	W195-W290 WeakPolarHBondContact CZ3-O 3.17Å; Y265-W290 VanDerWaalsContact OH-CD1 3.31Å; L278-W290 HydrophobicContact CD2-CH2 4.02Å; L278-W290 HydrophobicContact CD2-CZ3 4.49Å; L278-W290 HydrophobicContact CG-CH2 4.44Å; V279-W290 HydrophobicContact CB-CE3 4.29Å; V279-W290 HydrophobicContact CB-CZ3 4.47Å; V279-W290 HydrophobicContact CG1-CE3 4.4Å; V279-W290 HydrophobicContact CG2-CE3 3.71Å; V279-W290 HydrophobicContact CG2-CZ3 3.55Å; I282-W290 HydrophobicContact CB-CB 4.28Å; I282-W290 HydrophobicContact CB-CG 4.45Å; I282-W290 HydrophobicContact CD1-CD2 3.54Å; I282-W290 HydrophobicContact CD1-CE3 3.81Å; I282-W290 HydrophobicContact CD1-CG 3.92Å; I282-W290 HydrophobicContact CD1-CH2 4.34Å; I282-W290 HydrophobicContact CD1-CZ2 4.11Å; I282-W290 HydrophobicContact CD1-CZ3 4.19Å; I282-W290 HydrophobicContact CG2-CB 3.53Å; I282-W290 HydrophobicContact CG2-CG 3.81Å; I288-W290 HydrophobicContact CG2-CB 4.43Å; I288-W290 PolarHBondContact O-N 3.5Å; I288-W290 VanDerWaalsContact O-N 3.08Å; W290-P292 HydrophobicContact CH2-CB 3.82Å; W290-P292 HydrophobicContact CZ3-CB 3.82Å; W290-P292 HydrophobicContact CZ3-CG 4.39Å; W290-S296 WeakPolarHBondContact CZ2-OG 3.18Å; W290-L297 HydrophobicContact CH2-CD2 3.68Å; W290-L297 HydrophobicContact CH2-CG 4.39Å; W290-L297 HydrophobicContact CZ2-CD2 4.03Å
291	R	79.5	Confident	73.5	Confident	82 Å²	82	39.4 Å²	39.4	31%	0.309	21%	0.211	S	C	.	.			trans	-136.7	141	176.6	69.3	-173.3	-154.8	175.4	5	109.4	W195 D239 P241 S296	W195-R291 HydrophobicContact CD2-CB 3.75Å; W195-R291 HydrophobicContact CE3-CB 3.85Å; W195-R291 HydrophobicContact CG-CB 4.11Å; W195-R291 HydrophobicContact CZ3-CB 4.36Å; D239-R291 PolarHBondContact O-NH2 3.08Å; P241-R291 HydrophobicContact CB-CB 4.05Å; P241-R291 HydrophobicContact CB-CG 3.88Å; R291-S296 PolarHBondContact O-OG 3.36Å
292	P	81.6	Confident	72.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.			trans	-73.4	131.5	176.5	31.8	-33.6	0	0	0	109.8	W195 P241 F242 I275 W290 S296 L297	W195-P292 HydrophobicContact CZ2-CG 3.97Å; P241-P292 CarbonylContact C-O 3.02Å; P241-P292 WeakPolarHBondContact CA-O 3.35Å; P241-P292 WeakPolarHBondContact CB-O 3.36Å; F242-P292 HydrophobicContact CB-CB 4.44Å; F242-P292 HydrophobicContact CB-CG 4.23Å; F242-P292 HydrophobicContact CD2-CB 4.28Å; F242-P292 PolarHBondContact N-O 2.94Å; I275-P292 HydrophobicContact CD1-CB 3.42Å; I275-P292 VanDerWaalsContact CD1-CB 3.42Å; I275-P292 HydrophobicContact CD1-CG 4.15Å; I275-P292 HydrophobicContact CG1-CB 4.04Å; I275-P292 HydrophobicContact CG1-CG 4.42Å; W290-P292 HydrophobicContact CH2-CB 3.82Å; W290-P292 HydrophobicContact CZ3-CB 3.82Å; W290-P292 HydrophobicContact CZ3-CG 4.39Å; P292-S296 WeakPolarHBondContact CA-OG 3.33Å; P292-L297 HydrophobicContact CB-CD1 4.21Å
293	S	74.4	Confident	70.8	Confident	13 Å²	13	53.4 Å²	53.4	9%	0.091	28%	0.282	C	S	.	.			trans	-151.2	168.3	172.9	76.9	0	0	0	0	109.6	F242 A295 S296 L297	F242-S293 VanDerWaalsContact CE2-C 3.41Å; S293-A295 PolarHBondContact O-N 2.69Å; S293-A295 VanDerWaalsContact O-N 3.12Å; S293-A295 PolarHBondContact OG-N 3.21Å; S293-S296 PolarHBondContact N-OG 2.83Å; S293-S296 PolarHBondContact O-N 3.48Å; S293-S296 VanDerWaalsContact O-N 3.15Å; S293-S296 PolarHBondContact OG-N 2.96Å; S293-L297 PolarHBondContact O-N 2.81Å; S293-L297 VanDerWaalsContact O-N 3.09Å
294	P	74.7	Confident	69.1	Low	34 Å²	34	56.3 Å²	56.3	22%	0.221	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.9	177.3	-28.8	36.4	0	0	0	113.5	F242	F242-P294 HydrophobicContact CE1-CG 4.37Å; F242-P294 HydrophobicContact CE2-CG 4.14Å; F242-P294 HydrophobicContact CZ-CG 3.69Å
295	A	60.6	Low	66.7	Low	60 Å²	60	60 Å²	60	50%	0.496	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-43.2	176.8	0	0	0	0	0	113.3	S293 L297 A298	S293-A295 PolarHBondContact O-N 2.69Å; S293-A295 VanDerWaalsContact O-N 3.12Å; S293-A295 PolarHBondContact OG-N 3.21Å; A295-L297 VanDerWaalsContact C-N 3.27Å; A295-L297 PolarHBondContact O-N 3.29Å; A295-A298 WeakPolarHBondContact O-CB 3.49Å; A295-A298 PolarHBondContact O-N 3.45Å
296	S	67.4	Low	64.7	Low	20 Å²	20	57.2 Å²	57.2	14%	0.14	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.7	-176.6	71.4	0	0	0	0	114.1	W290 R291 P292 S293	W290-S296 WeakPolarHBondContact CZ2-OG 3.18Å; R291-S296 PolarHBondContact O-OG 3.36Å; P292-S296 WeakPolarHBondContact CA-OG 3.33Å; S293-S296 PolarHBondContact N-OG 2.83Å; S293-S296 PolarHBondContact O-N 3.48Å; S293-S296 VanDerWaalsContact O-N 3.15Å; S293-S296 PolarHBondContact OG-N 2.96Å
297	L	76.1	Confident	63.6	Low	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	3.7	173.7	-65.7	178.7	0	0	0	114.1	P228 F242 F247 I275 L278 W290 P292 S293 A295 H299 L300	P228-L297 HydrophobicContact CB-CB 4.41Å; P228-L297 HydrophobicContact CG-CB 4.13Å; P228-L297 HydrophobicContact CG-CD1 4.3Å; F242-L297 HydrophobicContact CD2-CD1 3.97Å; F242-L297 HydrophobicContact CE2-CD1 3.9Å; F247-L297 HydrophobicContact CD2-CD1 4.23Å; F247-L297 HydrophobicContact CE2-CD1 3.38Å; F247-L297 HydrophobicContact CZ-CD1 3.63Å; I275-L297 HydrophobicContact CD1-CD1 3.73Å; I275-L297 HydrophobicContact CD1-CD2 4.15Å; L278-L297 HydrophobicContact CD2-CD2 4.05Å; W290-L297 HydrophobicContact CH2-CD2 3.68Å; W290-L297 HydrophobicContact CH2-CG 4.39Å; W290-L297 HydrophobicContact CZ2-CD2 4.03Å; P292-L297 HydrophobicContact CB-CD1 4.21Å; S293-L297 PolarHBondContact O-N 2.81Å; S293-L297 VanDerWaalsContact O-N 3.09Å; A295-L297 VanDerWaalsContact C-N 3.27Å; A295-L297 PolarHBondContact O-N 3.29Å; L297-H299 PolarHBondContact O-N 3.36Å; L297-L300 HydrophobicContact CD2-CD1 3.92Å; L297-L300 WeakPolarHBondContact O-CB 3.2Å; L297-L300 PolarHBondContact O-N 2.91Å
298	A	63.5	Low	62.5	Low	49 Å²	49	52 Å²	52	41%	0.405	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-59.3	-24.3	-173.7	0	0	0	0	0	113.9	A295 L300 R301	A295-A298 WeakPolarHBondContact O-CB 3.49Å; A295-A298 PolarHBondContact O-N 3.45Å; A298-L300 PolarHBondContact O-N 2.97Å; A298-R301 PolarHBondContact O-N 3.24Å
299	H	63.5	Low	62.2	Low	34 Å²	34	52.7 Å²	52.7	16%	0.157	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-72.3	-3.8	176.4	72.7	-79.2	0	0	0	114.6	M262 L297	M262-H299 PolarHBondContact O-NE2 2.96Å; M262-H299 VanDerWaalsContact O-NE2 3.12Å; L297-H299 PolarHBondContact O-N 3.36Å
300	L	73.8	Confident	61.7	Low	20 Å²	20	48.8 Å²	48.8	11%	0.105	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-96.7	3.9	175.4	-59.4	-180	0	0	0	113.3	P228 F229 Y261 M262 L297 A298 E302	P228-L300 HydrophobicContact CB-CB 4.14Å; P228-L300 HydrophobicContact CG-CB 4.48Å; F229-L300 HydrophobicContact CE1-CB 4.04Å; F229-L300 HydrophobicContact CZ-CB 4.27Å; F229-L300 HydrophobicContact CZ-CD1 4.06Å; Y261-L300 HydrophobicContact CD1-CD1 3.93Å; M262-L300 HydrophobicContact CB-CD2 4.4Å; L297-L300 HydrophobicContact CD2-CD1 3.92Å; L297-L300 WeakPolarHBondContact O-CB 3.2Å; L297-L300 PolarHBondContact O-N 2.91Å; A298-L300 PolarHBondContact O-N 2.97Å; L300-E302 PolarHBondContact O-N 3.42Å
301	R	66.7	Low	60.7	Low	58 Å²	58	48.1 Å²	48.1	22%	0.219	26%	0.257	C	S	.	.			trans	-81.2	112.8	175.5	-64.8	-160.3	173.1	-90.8	-0.4	110.6	G226 C227 P228 C230 A298 N303	G226-R301 PolarHBondContact O-NH2 3.07Å; C227-R301 PolarHBondContact O-NH1 3.41Å; C227-R301 PolarHBondContact O-NH2 3.22Å; P228-R301 HydrophobicContact CB-CG 4.24Å; P228-R301 WeakPolarHBondContact O-CG 3.34Å; P228-R301 PolarHBondContact O-NH1 3.36Å; C230-R301 PolarHBondContact O-NH1 2.98Å; A298-R301 PolarHBondContact O-N 3.24Å; R301-N303 VanDerWaalsContact C-N 3.35Å
302	E	57.8	Low	59.7	Low	170 Å²	170	44.2 Å²	44.2	79%	0.794	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31.6	178.2	-60.2	-178.1	156.1	0	0	112.3	L300 Q304	L300-E302 PolarHBondContact O-N 3.42Å; E302-Q304 PolarHBondContact O-N 2.85Å
303	N	52.4	Low	58.4	Low	160 Å²	160	47.1 Å²	47.1	86%	0.856	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	17.6	-175.6	-59.8	13	0	0	0	115	R301	R301-N303 VanDerWaalsContact C-N 3.35Å
304	Q	44.7	Very low	57.4	Low	62 Å²	62	47.1 Å²	47.1	29%	0.29	26%	0.26	S	S	.	.	S	Bend	trans	-134.6	146.6	174.8	-71.5	-152.2	-18	0	0	112.4	E302 H307	E302-Q304 PolarHBondContact O-N 2.85Å; Q304-H307 PolarHBondContact OE1-NE2 3Å
305	L	35.8	Very low	56.1	Low	113 Å²	113	47.5 Å²	47.5	59%	0.592	26%	0.263	S	S	*	.			trans	-50.7	146	171.7	-83.7	168.4	0	0	0	111	H307 A324	L305-H307 PolarHBondContact O-CD2 2.85Å; L305-H307 PolarHBondContact O-N 3.37Å; L305-A324 HydrophobicContact CB-CB 3.81Å; L305-A324 HydrophobicContact CD1-CB 4.47Å
306	P	39.4	Very low	55.3	Low	47 Å²	47	45.3 Å²	45.3	31%	0.305	25%	0.246	S	C	.	.			trans	-68	84.1	-167.7	26.8	-36.3	0	0	0	113.4	R308 T351	P306-R308 PolarHBondContact O-N 3.2Å; P306-T351 HydrophobicContact CB-CG2 3.97Å; P306-T351 WeakPolarHBondContact CB-OG1 3.17Å
307	H	46.6	Very low	54.3	Low	46 Å²	46	53 Å²	53	21%	0.213	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-63.8	118.5	171.3	-56.2	-72.9	0	0	0	109.8	Q304 L305 V309 V321 L322	Q304-H307 PolarHBondContact OE1-NE2 3Å; L305-H307 PolarHBondContact O-CD2 2.85Å; L305-H307 PolarHBondContact O-N 3.37Å; H307-V309 PolarHBondContact O-N 3.1Å; H307-V321 HydrophobicContact CB-CG1 3.6Å; H307-L322 WeakPolarHBondContact CA-O 3.45Å
308	R	51.5	Low	53.1	Low	18 Å²	18	55 Å²	55	7%	0.068	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.1	171.4	-56.3	173.8	178.1	-144.6	-7	107.9	P306 L322 V348 H349 L350 S371 S375	P306-R308 PolarHBondContact O-N 3.2Å; R308-L322 HydrophobicContact CB-CB 3.98Å; R308-L322 HydrophobicContact CB-CD1 3.6Å; R308-L322 HydrophobicContact CB-CG 4.19Å; R308-L322 PolarHBondContact N-O 3.27Å; R308-L322 WeakPolarHBondContact O-CA 3.49Å; R308-L322 WeakPolarHBondContact O-CB 3.46Å; R308-L322 WeakPolarHBondContact O-CG 3.33Å; R308-L322 PolarHBondContact O-N 3.46Å; R308-V348 HydrophobicContact CB-CG1 4.14Å; R308-H349 WeakPolarHBondContact CA-O 3.23Å; R308-H349 VanDerWaalsContact CB-O 3.29Å; R308-H349 WeakPolarHBondContact CB-O 3.36Å; R308-L350 HydrophobicContact CG-CD2 4.14Å; R308-S371 VanDerWaalsContact NH2-CA 3.34Å; R308-S371 PolarHBondContact NH2-O 2.99Å; R308-S375 PolarHBondContact NH1-OG 3.33Å
309	V	55.3	Low	52.5	Low	18 Å²	18	55.4 Å²	55.4	11%	0.109	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.1	178.2	-179.8	0	0	0	0	109.6	H307 T319 F320 H349	H307-V309 PolarHBondContact O-N 3.1Å; V309-T319 HydrophobicContact CG1-CG2 4.03Å; V309-F320 CarbonylContact C-O 3.57Å; V309-F320 WeakPolarHBondContact CA-O 3.31Å; V309-H349 PolarHBondContact O-N 2.77Å; V309-H349 PolarHBondContact O-ND1 2.88Å; V309-H349 VanDerWaalsContact O-ND1 3.1Å
310	V	55.7	Low	52.2	Low	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.1	167.6	-172.2	0	0	0	0	110.6	T319 F320 L322 L334 Q347 V348 F378 V385	V310-T319 CarbonylContact O-C 3.23Å; V310-T319 WeakPolarHBondContact O-CA 3.34Å; V310-F320 HydrophobicContact CB-CB 4.34Å; V310-F320 PolarHBondContact N-O 2.78Å; V310-F320 WeakPolarHBondContact O-CD2 3.33Å; V310-F320 PolarHBondContact O-N 2.75Å; V310-L322 HydrophobicContact CG2-CD1 3.56Å; V310-L322 HydrophobicContact CG2-CD2 4.16Å; V310-L322 HydrophobicContact CG2-CG 3.9Å; V310-L334 HydrophobicContact CB-CD1 4.15Å; V310-L334 HydrophobicContact CB-CD2 4.18Å; V310-L334 HydrophobicContact CG1-CD1 3.58Å; V310-L334 HydrophobicContact CG1-CD2 3.93Å; V310-L334 HydrophobicContact CG1-CG 4.44Å; V310-L334 HydrophobicContact CG2-CD2 4.12Å; V310-Q347 VanDerWaalsContact CA-O 3.3Å; V310-Q347 WeakPolarHBondContact CA-O 2.95Å; V310-V348 HydrophobicContact CG2-CB 4.49Å; V310-V348 HydrophobicContact CG2-CG1 4.42Å; V310-V348 HydrophobicContact CG2-CG2 4.13Å; V310-F378 HydrophobicContact CG2-CZ 4.06Å; V310-V385 HydrophobicContact CG1-CG1 3.53Å; V310-V385 HydrophobicContact CG1-CG2 4.5Å
311	T	54.3	Low	51.3	Low	5 Å²	5	57.1 Å²	57.1	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.1	173.4	43.5	0	0	0	0	111	Y265 L313 C318 T319 G346 Q347 H349	Y265-T311 HydrophobicContact CE1-CG2 3.87Å; Y265-T311 WeakPolarHBondContact CE1-OG1 3.49Å; T311-L313 PolarHBondContact O-N 3.44Å; T311-C318 WeakPolarHBondContact CA-O 3.49Å; T311-T319 HydrophobicContact CG2-CG2 3.65Å; T311-G346 WeakPolarHBondContact O-CA 3.45Å; T311-Q347 PolarHBondContact N-O 3.21Å; T311-Q347 PolarHBondContact O-N 3.28Å; T311-H349 PolarHBondContact OG1-CE1 3.42Å
312	C	57.8	Low	50.6	Low	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	120.2	165	-173	0	0	0	0	110.4	G314 C315 G316 C318 H337 M338 C341 G345	C312-G314 PolarHBondContact O-N 2.76Å; C312-G314 PolarHBondContact SG-N 2.96Å; C312-C315 PolarHBondContact O-N 2.99Å; C312-G316 PolarHBondContact O-N 3.27Å; C312-C318 PolarHBondContact N-O 3.16Å; C312-H337 VanDerWaalsContact CB-CD2 3.47Å; C312-H337 WeakPolarHBondContact CB-CD2 3.45Å; C312-H337 WeakPolarHBondContact CB-NE2 3.5Å; C312-M338 HydrophobicContact CB-CE 3.52Å; C312-M338 WeakPolarHBondContact SG-CE 3.49Å; C312-C341 HydrophobicContact CB-CB 4.41Å; C312-C341 WeakPolarHBondContact CB-SG 3.46Å; C312-C341 WeakPolarHBondContact SG-CB 3.43Å; C312-C341 CovalentContact SG-SG 2.06Å; C312-C341 PolarHBondContact SG-SG 2.93Å; C312-G345 PolarHBondContact SG-O 2.88Å; C312-G345 VanDerWaalsContact SG-O 3.41Å
313	L	55	Low	50	Low	62 Å²	62	51.8 Å²	51.8	33%	0.325	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.4	174.9	-56.2	174.3	0	0	0	111.7	I288 T311 G345 Q347	I288-L313 HydrophobicContact CD1-CD2 3.6Å; I288-L313 HydrophobicContact CG1-CD2 4.33Å; T311-L313 PolarHBondContact O-N 3.44Å; L313-G345 WeakPolarHBondContact CB-O 3.4Å; L313-G345 PolarHBondContact N-O 2.7Å; L313-Q347 HydrophobicContact CD2-CB 4.4Å
314	G	52.8	Low	49.4	Very low	12 Å²	12	45.8 Å²	45.8	12%	0.124	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-7	-177.2	0	0	0	0	0	117.1	C312 C341 F343	C312-G314 PolarHBondContact O-N 2.76Å; C312-G314 PolarHBondContact SG-N 2.96Å; G314-C341 VanDerWaalsContact CA-SG 3.6Å; G314-F343 VanDerWaalsContact CA-CB 3.45Å
315	C	48.5	Very low	49	Very low	42 Å²	42	49.5 Å²	49.5	28%	0.284	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-31.5	167.6	71.7	0	0	0	0	112.3	C312 W317 C318 H337 C341	C312-C315 PolarHBondContact O-N 2.99Å; C315-W317 PolarHBondContact O-N 3.1Å; C315-W317 VanDerWaalsContact O-N 3.14Å; C315-W317 PolarHBondContact O-NE1 2.84Å; C315-W317 PolarHBondContact SG-N 3.39Å; C315-C318 PolarHBondContact SG-N 3.46Å; C315-H337 PolarHBondContact SG-NE2 3.02Å; C315-C341 PolarHBondContact N-SG 3.33Å
316	G	42.1	Very low	48.9	Very low	15 Å²	15	49.8 Å²	49.8	16%	0.155	27%	0.265	C	S	.	.	S	Bend	trans	76.5	-22.2	-173.2	0	0	0	0	0	114.4	C312	C312-G316 PolarHBondContact O-N 3.27Å
317	W	46.6	Very low	49	Very low	180 Å²	180	48 Å²	48	68%	0.682	25%	0.254	S	S	*	.			trans	-88.2	-29.7	-174.8	-55.9	98.3	0	0	0	114.9	C315 T319	C315-W317 PolarHBondContact O-N 3.1Å; C315-W317 VanDerWaalsContact O-N 3.14Å; C315-W317 PolarHBondContact O-NE1 2.84Å; C315-W317 PolarHBondContact SG-N 3.39Å; W317-T319 PolarHBondContact O-N 3.47Å
318	C	51.1	Low	48.7	Very low	45 Å²	45	47.7 Å²	47.7	30%	0.304	26%	0.259	S	S	.	.			trans	-95	105.2	-172.2	-64.3	0	0	0	0	112.1	T311 C312 C315 F320 H337	T311-C318 WeakPolarHBondContact CA-O 3.49Å; C312-C318 PolarHBondContact N-O 3.16Å; C315-C318 PolarHBondContact SG-N 3.46Å; C318-F320 HydrophobicContact CB-CE2 3.73Å; C318-F320 HydrophobicContact CB-CZ 3.69Å; C318-H337 PolarHBondContact SG-CE1 3.2Å
319	T	52.2	Low	48.3	Very low	57 Å²	57	54.3 Å²	54.3	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.9	164.9	44.6	0	0	0	0	110.6	V309 V310 T311 W317	V309-T319 HydrophobicContact CG1-CG2 4.03Å; V310-T319 CarbonylContact O-C 3.23Å; V310-T319 WeakPolarHBondContact O-CA 3.34Å; T311-T319 HydrophobicContact CG2-CG2 3.65Å; W317-T319 PolarHBondContact O-N 3.47Å
320	F	57.2	Low	47.9	Very low	20 Å²	20	54.1 Å²	54.1	9%	0.088	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.7	174.4	-56.6	-80	0	0	0	108.8	V309 V310 C318 P331 S333 L334 H337	V309-F320 CarbonylContact C-O 3.57Å; V309-F320 WeakPolarHBondContact CA-O 3.31Å; V310-F320 HydrophobicContact CB-CB 4.34Å; V310-F320 PolarHBondContact N-O 2.78Å; V310-F320 WeakPolarHBondContact O-CD2 3.33Å; V310-F320 PolarHBondContact O-N 2.75Å; C318-F320 HydrophobicContact CB-CE2 3.73Å; C318-F320 HydrophobicContact CB-CZ 3.69Å; F320-P331 HydrophobicContact CB-CG 4.37Å; F320-S333 VanDerWaalsContact CD1-OG 3.23Å; F320-S333 WeakPolarHBondContact CD1-OG 3.38Å; F320-L334 HydrophobicContact CD1-CB 4.42Å; F320-L334 HydrophobicContact CD2-CB 4.32Å; F320-L334 HydrophobicContact CD2-CD1 3.44Å; F320-L334 VanDerWaalsContact CD2-CD1 3.44Å; F320-L334 HydrophobicContact CD2-CG 4.46Å; F320-L334 HydrophobicContact CE2-CD1 3.83Å; F320-L334 HydrophobicContact CG-CB 4.15Å; F320-L334 HydrophobicContact CG-CD1 4.08Å; F320-H337 HydrophobicContact CE1-CB 4.25Å; F320-H337 HydrophobicContact CE2-CB 4.22Å; F320-H337 AromaticContact CE2-CD2 3.71Å; F320-H337 HydrophobicContact CZ-CB 3.49Å; F320-H337 VanDerWaalsContact CZ-CB 3.49Å; F320-H337 AromaticContact CZ-CD2 3.67Å; F320-H337 AromaticContact CZ-CG 3.52Å
321	V	53.5	Low	47.7	Very low	70 Å²	70	54.5 Å²	54.5	42%	0.424	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111	179.2	-173.5	0	0	0	0	108.1	H307	H307-V321 HydrophobicContact CB-CG1 3.6Å
322	L	52.7	Low	47.6	Very low	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.8	172	-50.8	171.5	0	0	0	108.7	H307 R308 V310 P330 V348 F378	H307-L322 WeakPolarHBondContact CA-O 3.45Å; R308-L322 HydrophobicContact CB-CB 3.98Å; R308-L322 HydrophobicContact CB-CD1 3.6Å; R308-L322 HydrophobicContact CB-CG 4.19Å; R308-L322 PolarHBondContact N-O 3.27Å; R308-L322 WeakPolarHBondContact O-CA 3.49Å; R308-L322 WeakPolarHBondContact O-CB 3.46Å; R308-L322 WeakPolarHBondContact O-CG 3.33Å; R308-L322 PolarHBondContact O-N 3.46Å; V310-L322 HydrophobicContact CG2-CD1 3.56Å; V310-L322 HydrophobicContact CG2-CD2 4.16Å; V310-L322 HydrophobicContact CG2-CG 3.9Å; L322-P330 HydrophobicContact CD2-CB 3.57Å; L322-V348 HydrophobicContact CD1-CG1 4.05Å; L322-F378 HydrophobicContact CD1-CD2 4.3Å; L322-F378 HydrophobicContact CD1-CE2 3.63Å; L322-F378 HydrophobicContact CD1-CZ 4.12Å; L322-F378 HydrophobicContact CD2-CE2 3.91Å; L322-F378 HydrophobicContact CD2-CZ 4.42Å; L322-F378 HydrophobicContact CG-CE2 4.48Å
323	R	45.9	Very low	47.4	Very low	114 Å²	114	57.7 Å²	57.7	43%	0.43	31%	0.312	S	S	.	.			trans	-64.7	137	178.8	-69.8	-168.5	159.3	-135.2	-11.4	111.8	N325 N326 A327 L497 C498	R323-N325 PolarHBondContact O-N 3.09Å; R323-N326 PolarHBondContact O-N 2.84Å; R323-A327 PolarHBondContact O-N 2.81Å; R323-L497 PolarHBondContact NH1-O 3.49Å; R323-L497 PolarHBondContact NH2-O 3.46Å; R323-C498 VanDerWaalsContact CZ-CA 3.47Å; R323-C498 PolarHBondContact NE-O 2.95Å; R323-C498 PolarHBondContact NH2-O 2.87Å
324	A	39.3	Very low	47.7	Very low	35 Å²	35	54.7 Å²	54.7	29%	0.289	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-51.4	-42.4	172.7	0	0	0	0	0	112.5	L305	L305-A324 HydrophobicContact CB-CB 3.81Å; L305-A324 HydrophobicContact CD1-CB 4.47Å
325	N	35.1	Very low	47.9	Very low	140 Å²	140	58.5 Å²	58.5	75%	0.749	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-79.1	-22.1	-172.8	-60	21.5	0	0	0	114.7	R323	R323-N325 PolarHBondContact O-N 3.09Å
326	N	35.4	Very low	48.5	Very low	119 Å²	119	58.3 Å²	58.3	64%	0.636	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-125.2	33.5	-173.5	-84.7	0.4	0	0	0	112.5	R323 A328 Q329	R323-N326 PolarHBondContact O-N 2.84Å; N326-A328 PolarHBondContact O-N 3.32Å; N326-Q329 PolarHBondContact O-N 3.34Å
327	A	40.5	Very low	49.4	Very low	9 Å²	9	59.3 Å²	59.3	7%	0.074	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-5.3	-165.5	0	0	0	0	0	117.1	R323 I374	R323-A327 PolarHBondContact O-N 2.81Å; A327-I374 HydrophobicContact CB-CD1 4.48Å; A327-I374 HydrophobicContact CB-CG2 3.8Å; A327-I374 WeakPolarHBondContact O-CG2 3.06Å
328	A	40.9	Very low	50.1	Low	39 Å²	39	51.4 Å²	51.4	32%	0.322	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-22.1	174.3	0	0	0	0	0	114.3	N326 I374	N326-A328 PolarHBondContact O-N 3.32Å; A328-I374 HydrophobicContact CB-CG2 4.21Å
329	Q	42.9	Very low	50.5	Low	158 Å²	158	54.5 Å²	54.5	74%	0.738	29%	0.294	S	S	*	.	S	Bend	trans	-114.1	129.5	174.5	-65.5	-153.4	30.5	0	0	111.1	N326	N326-Q329 PolarHBondContact O-N 3.34Å
330	P	46.8	Very low	50.8	Low	13 Å²	13	57.1 Å²	57.1	8%	0.084	30%	0.297	C	S	.	.			trans	-76.3	157.6	163.4	32.6	-31.7	0	0	0	111.9	L322 L334 F378 F382	L322-P330 HydrophobicContact CD2-CB 3.57Å; P330-L334 HydrophobicContact CB-CB 3.97Å; P330-L334 HydrophobicContact CB-CD2 3.42Å; P330-L334 VanDerWaalsContact CB-CD2 3.42Å; P330-L334 HydrophobicContact CB-CG 4.31Å; P330-L334 HydrophobicContact CG-CD2 3.93Å; P330-F378 HydrophobicContact CB-CE2 3.71Å; P330-F378 HydrophobicContact CB-CZ 3.9Å; P330-F378 HydrophobicContact CG-CE2 3.87Å; P330-F378 HydrophobicContact CG-CZ 4.03Å; P330-F382 HydrophobicContact CG-CD1 4.24Å; P330-F382 HydrophobicContact CG-CD2 3.58Å; P330-F382 HydrophobicContact CG-CE1 3.85Å; P330-F382 HydrophobicContact CG-CE2 3.16Å; P330-F382 HydrophobicContact CG-CG 4.13Å; P330-F382 HydrophobicContact CG-CZ 3.31Å
331	P	51.8	Low	50.7	Low	9 Å²	9	56.7 Å²	56.7	6%	0.058	30%	0.296	C	S	.	.			trans	-59.9	145.5	168.2	28.8	-35.2	0	0	0	109.3	F320 S333 L334 N501	F320-P331 HydrophobicContact CB-CG 4.37Å; P331-S333 WeakPolarHBondContact CG-OG 3.34Å; P331-S333 PolarHBondContact O-N 3.34Å; P331-L334 WeakPolarHBondContact O-CB 3.36Å; P331-L334 PolarHBondContact O-N 3.01Å; P331-N501 HydrophobicContact CB-CB 4.03Å
332	T	50.6	Low	50.6	Low	69 Å²	69	58.6 Å²	58.6	42%	0.423	31%	0.313	S	S	.	.	H	α-helix	trans	-52.4	-19.4	176.5	-33.5	0	0	0	0	112.8	E335 T336	T332-E335 PolarHBondContact O-N 2.89Å; T332-T336 HydrophobicContact CG2-CG2 4.41Å; T332-T336 WeakPolarHBondContact O-CB 3.31Å; T332-T336 WeakPolarHBondContact O-CG2 3.49Å; T332-T336 PolarHBondContact O-N 3.38Å; T332-T336 PolarHBondContact O-OG1 3.17Å
333	S	54.3	Low	50.4	Low	2 Å²	2	64.6 Å²	64.6	1%	0.014	34%	0.339	C	S	.	.	H	α-helix	trans	-67.4	-32.9	174.7	60.3	0	0	0	0	113.3	F320 P331 T336 H337 N501	F320-S333 VanDerWaalsContact CD1-OG 3.23Å; F320-S333 WeakPolarHBondContact CD1-OG 3.38Å; P331-S333 WeakPolarHBondContact CG-OG 3.34Å; P331-S333 PolarHBondContact O-N 3.34Å; S333-T336 WeakPolarHBondContact CA-OG1 3.27Å; S333-T336 PolarHBondContact O-OG1 2.89Å; S333-H337 WeakPolarHBondContact O-CB 3.46Å; S333-H337 PolarHBondContact O-N 3.26Å; S333-N501 WeakPolarHBondContact CB-O 3.37Å; S333-N501 WeakPolarHBondContact OG-CB 3.46Å
334	L	61.1	Low	50.7	Low	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.1	-47.5	173.9	179.1	63.1	0	0	0	109.9	V310 F320 P330 P331 H337 M338 F378 V385	V310-L334 HydrophobicContact CB-CD1 4.15Å; V310-L334 HydrophobicContact CB-CD2 4.18Å; V310-L334 HydrophobicContact CG1-CD1 3.58Å; V310-L334 HydrophobicContact CG1-CD2 3.93Å; V310-L334 HydrophobicContact CG1-CG 4.44Å; V310-L334 HydrophobicContact CG2-CD2 4.12Å; F320-L334 HydrophobicContact CD1-CB 4.42Å; F320-L334 HydrophobicContact CD2-CB 4.32Å; F320-L334 HydrophobicContact CD2-CD1 3.44Å; F320-L334 VanDerWaalsContact CD2-CD1 3.44Å; F320-L334 HydrophobicContact CD2-CG 4.46Å; F320-L334 HydrophobicContact CE2-CD1 3.83Å; F320-L334 HydrophobicContact CG-CB 4.15Å; F320-L334 HydrophobicContact CG-CD1 4.08Å; P330-L334 HydrophobicContact CB-CB 3.97Å; P330-L334 HydrophobicContact CB-CD2 3.42Å; P330-L334 VanDerWaalsContact CB-CD2 3.42Å; P330-L334 HydrophobicContact CB-CG 4.31Å; P330-L334 HydrophobicContact CG-CD2 3.93Å; P331-L334 WeakPolarHBondContact O-CB 3.36Å; P331-L334 PolarHBondContact O-N 3.01Å; L334-H337 PolarHBondContact O-N 3Å; L334-M338 HydrophobicContact CD1-CE 3.94Å; L334-M338 HydrophobicContact CD1-CG 4.13Å; L334-M338 HydrophobicContact CG-CG 4.31Å; L334-M338 WeakPolarHBondContact O-CB 3.19Å; L334-M338 WeakPolarHBondContact O-CG 3.48Å; L334-M338 PolarHBondContact O-N 3.13Å; L334-F378 HydrophobicContact CD2-CZ 3.75Å; L334-V385 HydrophobicContact CD1-CG2 4.4Å; L334-V385 HydrophobicContact CD2-CG2 4.1Å; L334-V385 HydrophobicContact CG-CG2 4.43Å
335	E	57.3	Low	51.2	Low	92 Å²	92	63.4 Å²	63.4	43%	0.43	34%	0.338	S	S	.	.	H	α-helix	trans	-70.7	-46.9	-178.1	-156.1	-165.2	141.5	0	0	112.2	T332 H337 M338 N339 F382	T332-E335 PolarHBondContact O-N 2.89Å; E335-H337 PolarHBondContact O-N 3.36Å; E335-M338 PolarHBondContact O-N 2.99Å; E335-N339 WeakPolarHBondContact O-CB 3.44Å; E335-N339 PolarHBondContact O-N 2.78Å; E335-N339 PolarHBondContact O-ND2 2.87Å; E335-N339 VanDerWaalsContact O-ND2 3.13Å; E335-N339 PolarHBondContact OE1-ND2 2.97Å; E335-F382 HydrophobicContact CB-CE1 3.91Å; E335-F382 HydrophobicContact CG-CD1 4.45Å; E335-F382 HydrophobicContact CG-CE1 3.84Å
336	T	60.7	Low	52	Low	37 Å²	37	56.8 Å²	56.8	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-25.7	176.4	55.3	0	0	0	0	112.4	T332 S333 R340 A502	T332-T336 HydrophobicContact CG2-CG2 4.41Å; T332-T336 WeakPolarHBondContact O-CB 3.31Å; T332-T336 WeakPolarHBondContact O-CG2 3.49Å; T332-T336 PolarHBondContact O-N 3.38Å; T332-T336 PolarHBondContact O-OG1 3.17Å; S333-T336 WeakPolarHBondContact CA-OG1 3.27Å; S333-T336 PolarHBondContact O-OG1 2.89Å; T336-R340 WeakPolarHBondContact O-CD 3.46Å; T336-R340 WeakPolarHBondContact O-CG 3.18Å; T336-A502 WeakPolarHBondContact OG1-CB 3.36Å
337	H	61	Low	52.8	Low	37 Å²	37	53 Å²	53	17%	0.171	28%	0.281	C	S	.	.	H	α-helix	trans	-79.3	-46.3	169.1	-176.5	86.5	0	0	0	112.7	C312 C315 C318 F320 S333 L334 E335 N339 R340 C341	C312-H337 VanDerWaalsContact CB-CD2 3.47Å; C312-H337 WeakPolarHBondContact CB-CD2 3.45Å; C312-H337 WeakPolarHBondContact CB-NE2 3.5Å; C315-H337 PolarHBondContact SG-NE2 3.02Å; C318-H337 PolarHBondContact SG-CE1 3.2Å; F320-H337 HydrophobicContact CE1-CB 4.25Å; F320-H337 HydrophobicContact CE2-CB 4.22Å; F320-H337 AromaticContact CE2-CD2 3.71Å; F320-H337 HydrophobicContact CZ-CB 3.49Å; F320-H337 VanDerWaalsContact CZ-CB 3.49Å; F320-H337 AromaticContact CZ-CD2 3.67Å; F320-H337 AromaticContact CZ-CG 3.52Å; S333-H337 WeakPolarHBondContact O-CB 3.46Å; S333-H337 PolarHBondContact O-N 3.26Å; L334-H337 PolarHBondContact O-N 3Å; E335-H337 PolarHBondContact O-N 3.36Å; H337-N339 PolarHBondContact O-N 3.19Å; H337-R340 CarbonylContact O-C 3.57Å; H337-R340 WeakPolarHBondContact O-CA 3.08Å; H337-R340 PolarHBondContact O-N 3.24Å; H337-C341 PolarHBondContact NE2-SG 2.78Å; H337-C341 VanDerWaalsContact O-CB 3.24Å; H337-C341 WeakPolarHBondContact O-CB 3.39Å; H337-C341 PolarHBondContact O-N 2.74Å
338	M	61.3	Low	53.4	Low	13 Å²	13	53.2 Å²	53.2	6%	0.064	28%	0.281	C	S	.	.	H	α-helix	trans	-54	-41	175	-74.8	-66.7	105.8	0	0	111.2	C312 L334 E335 R340 H384 V385	C312-M338 HydrophobicContact CB-CE 3.52Å; C312-M338 WeakPolarHBondContact SG-CE 3.49Å; L334-M338 HydrophobicContact CD1-CE 3.94Å; L334-M338 HydrophobicContact CD1-CG 4.13Å; L334-M338 HydrophobicContact CG-CG 4.31Å; L334-M338 WeakPolarHBondContact O-CB 3.19Å; L334-M338 WeakPolarHBondContact O-CG 3.48Å; L334-M338 PolarHBondContact O-N 3.13Å; E335-M338 PolarHBondContact O-N 2.99Å; M338-R340 PolarHBondContact O-N 3.4Å; M338-H384 HydrophobicContact SD-CB 4.47Å; M338-V385 HydrophobicContact CG-CG2 4.21Å; M338-V385 HydrophobicContact SD-CG2 3.98Å
339	N	60.1	Low	53.9	Low	111 Å²	111	51.7 Å²	51.7	59%	0.594	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-1.4	175.4	-74.4	-43.5	0	0	0	114.6	E335 H337	E335-N339 WeakPolarHBondContact O-CB 3.44Å; E335-N339 PolarHBondContact O-N 2.78Å; E335-N339 PolarHBondContact O-ND2 2.87Å; E335-N339 VanDerWaalsContact O-ND2 3.13Å; E335-N339 PolarHBondContact OE1-ND2 2.97Å; H337-N339 PolarHBondContact O-N 3.19Å
340	R	58.3	Low	54.1	Low	112 Å²	112	45.7 Å²	45.7	42%	0.423	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-18.7	-179.9	-64.2	175.2	-171.1	171.7	4.5	114	T336 H337 M338 G490	T336-R340 WeakPolarHBondContact O-CD 3.46Å; T336-R340 WeakPolarHBondContact O-CG 3.18Å; H337-R340 CarbonylContact O-C 3.57Å; H337-R340 WeakPolarHBondContact O-CA 3.08Å; H337-R340 PolarHBondContact O-N 3.24Å; M338-R340 PolarHBondContact O-N 3.4Å; R340-G490 PolarHBondContact NH1-O 2.89Å
341	C	54.8	Low	54.3	Low	10 Å²	10	47.6 Å²	47.6	7%	0.068	25%	0.252	C	S	.	.	S	Bend	trans	-73	132.8	-177	-162.3	0	0	0	0	109	C312 G314 C315 H337 F343	C312-C341 HydrophobicContact CB-CB 4.41Å; C312-C341 WeakPolarHBondContact CB-SG 3.46Å; C312-C341 WeakPolarHBondContact SG-CB 3.43Å; C312-C341 CovalentContact SG-SG 2.06Å; C312-C341 PolarHBondContact SG-SG 2.93Å; G314-C341 VanDerWaalsContact CA-SG 3.6Å; C315-C341 PolarHBondContact N-SG 3.33Å; H337-C341 PolarHBondContact NE2-SG 2.78Å; H337-C341 VanDerWaalsContact O-CB 3.24Å; H337-C341 WeakPolarHBondContact O-CB 3.39Å; H337-C341 PolarHBondContact O-N 2.74Å; C341-F343 PolarHBondContact O-N 3.11Å; C341-F343 VanDerWaalsContact O-N 3.13Å
342	S	51.8	Low	53.8	Low	110 Å²	110	57 Å²	57	77%	0.769	29%	0.286	S	S	*	.	S	Bend	trans	-73.2	-7.5	-166.1	-54.2	0	0	0	0	115.6
343	F	48.5	Very low	53.7	Low	127 Å²	127	55.5 Å²	55.5	56%	0.557	28%	0.275	S	S	*	.	S	Bend	trans	-125.3	134.5	163.4	-53.4	-118.2	0	0	0	108.5	I190 G314 C341 G345	I190-F343 HydrophobicContact CD1-CZ 4.24Å; G314-F343 VanDerWaalsContact CA-CB 3.45Å; C341-F343 PolarHBondContact O-N 3.11Å; C341-F343 VanDerWaalsContact O-N 3.13Å; F343-G345 VanDerWaalsContact C-N 3.31Å; F343-G345 PolarHBondContact O-N 3.31Å
344	N	50.9	Low	53.3	Low	120 Å²	120	57.6 Å²	57.6	64%	0.642	29%	0.29	S	S	*	.	S	Bend	trans	-79.6	74.7	-171	-61.6	4.9	0	0	0	111.7
345	G	51.2	Low	52.5	Low	5 Å²	5	64.8 Å²	64.8	5%	0.052	32%	0.324	C	S	.	.			trans	177.3	164.4	159.6	0	0	0	0	0	117.8	C312 L313 F343 H384	C312-G345 PolarHBondContact SG-O 2.88Å; C312-G345 VanDerWaalsContact SG-O 3.41Å; L313-G345 WeakPolarHBondContact CB-O 3.4Å; L313-G345 PolarHBondContact N-O 2.7Å; F343-G345 VanDerWaalsContact C-N 3.31Å; F343-G345 PolarHBondContact O-N 3.31Å; G345-H384 WeakPolarHBondContact CA-O 3.01Å
346	G	52	Low	52.2	Low	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-175.8	168.1	0	0	0	0	0	111.7	T311 H384 V385 R386	T311-G346 WeakPolarHBondContact O-CA 3.45Å; G346-H384 PolarHBondContact N-O 3.3Å; G346-V385 CarbonylContact O-C 3.55Å; G346-V385 WeakPolarHBondContact O-CA 3.37Å; G346-R386 PolarHBondContact O-N 2.86Å
347	Q	51.2	Low	51.7	Low	40 Å²	40	71 Å²	71	19%	0.187	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132.8	171.9	-177.3	158.3	20.1	0	0	109.4	Y265 V310 T311 L313 R386	Y265-Q347 PolarHBondContact O-NE2 3.36Å; V310-Q347 VanDerWaalsContact CA-O 3.3Å; V310-Q347 WeakPolarHBondContact CA-O 2.95Å; T311-Q347 PolarHBondContact N-O 3.21Å; T311-Q347 PolarHBondContact O-N 3.28Å; L313-Q347 HydrophobicContact CD2-CB 4.4Å; Q347-R386 WeakPolarHBondContact CA-O 3.23Å
348	V	53.7	Low	51.3	Low	14 Å²	14	70 Å²	70	9%	0.085	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.5	176.4	-169.1	0	0	0	0	109.7	R308 V310 L322 F378 V385 R386	R308-V348 HydrophobicContact CB-CG1 4.14Å; V310-V348 HydrophobicContact CG2-CB 4.49Å; V310-V348 HydrophobicContact CG2-CG1 4.42Å; V310-V348 HydrophobicContact CG2-CG2 4.13Å; L322-V348 HydrophobicContact CD1-CG1 4.05Å; V348-F378 HydrophobicContact CG2-CD1 3.58Å; V348-F378 HydrophobicContact CG2-CE1 3.38Å; V348-F378 HydrophobicContact CG2-CG 4.38Å; V348-F378 HydrophobicContact CG2-CZ 3.99Å; V348-V385 HydrophobicContact CG2-CG1 3.63Å; V348-R386 PolarHBondContact N-O 2.81Å; V348-R386 VanDerWaalsContact N-O 3.08Å
349	H	50.6	Low	50.9	Low	7 Å²	7	78.3 Å²	78.3	3%	0.032	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-97.4	122.3	173.9	-47.9	134.7	0	0	0	109.2	S264 Y265 R308 V309 T311	S264-H349 WeakPolarHBondContact O-CB 3.48Å; S264-H349 PolarHBondContact O-CD2 2.88Å; Y265-H349 WeakPolarHBondContact CA-NE2 3.14Å; Y265-H349 AromaticContact CD1-NE2 3.56Å; Y265-H349 AromaticContact CG-NE2 3.96Å; R308-H349 WeakPolarHBondContact CA-O 3.23Å; R308-H349 VanDerWaalsContact CB-O 3.29Å; R308-H349 WeakPolarHBondContact CB-O 3.36Å; V309-H349 PolarHBondContact O-N 2.77Å; V309-H349 PolarHBondContact O-ND1 2.88Å; V309-H349 VanDerWaalsContact O-ND1 3.1Å; T311-H349 PolarHBondContact OG1-CE1 3.42Å
350	L	47.8	Very low	51.1	Low	32 Å²	32	75.2 Å²	75.2	17%	0.168	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-94	117	171.6	-66.7	176	0	0	0	109	L267 R308 S375	L267-L350 HydrophobicContact CD1-CB 4.1Å; L267-L350 WeakPolarHBondContact CD1-O 3.18Å; L267-L350 WeakPolarHBondContact CD2-O 3.45Å; R308-L350 HydrophobicContact CG-CD2 4.14Å; L350-S375 WeakPolarHBondContact CD2-OG 3.18Å
351	T	51	Low	51.5	Low	53 Å²	53	75.9 Å²	75.9	33%	0.325	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-66.5	138.8	170.8	-33.5	0	0	0	0	109.4	P306	P306-T351 HydrophobicContact CB-CG2 3.97Å; P306-T351 WeakPolarHBondContact CB-OG1 3.17Å
352	R	42.2	Very low	52.2	Low	205 Å²	205	80.5 Å²	80.5	77%	0.774	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-78.3	130.5	178.6	-150.4	177.4	-164.7	179	3.3	109.1	S354	R352-S354 PolarHBondContact O-N 3.2Å
353	L	46.9	Very low	52.8	Low	38 Å²	38	78.8 Å²	78.8	20%	0.199	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-63	129.1	169	-60.4	166.7	0	0	0	108.8	V367 L368	L353-V367 HydrophobicContact CD1-CB 3.79Å; L353-V367 HydrophobicContact CD1-CG1 3.74Å; L353-V367 HydrophobicContact CD2-CG1 3.85Å; L353-V367 HydrophobicContact CG-CG1 4.38Å; L353-L368 HydrophobicContact CD1-CD2 4.32Å; L353-L368 HydrophobicContact CD1-CG 4.17Å
354	S	47	Very low	53.2	Low	47 Å²	47	75.8 Å²	75.8	33%	0.329	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-74.1	163.8	167.7	76.4	0	0	0	0	109.6	R352 E356 T357	R352-S354 PolarHBondContact O-N 3.2Å; S354-E356 PolarHBondContact O-N 2.81Å; S354-E356 PolarHBondContact OG-N 2.84Å; S354-E356 PolarHBondContact OG-OE2 2.72Å; S354-T357 PolarHBondContact N-OG1 3.22Å; S354-T357 PolarHBondContact O-N 3.43Å; S354-T357 PolarHBondContact O-OG1 3.23Å; S354-T357 PolarHBondContact OG-N 3.39Å; S354-T357 PolarHBondContact OG-OG1 3.36Å
355	E	45.1	Very low	53.7	Low	150 Å²	150	77.1 Å²	77.1	70%	0.701	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-63.8	-26.4	172.6	-155.4	109	-99.2	0	0	111.1	K364	E355-K364 IonicContact OE1-NZ 2.59Å; E355-K364 PolarHBondContact OE1-NZ 2.73Å
356	E	50.5	Low	54.3	Low	179 Å²	179	82.7 Å²	82.7	84%	0.836	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-78.6	-19.6	179.5	-55.9	150.3	154	0	0	112.8	S354 C358	S354-E356 PolarHBondContact O-N 2.81Å; S354-E356 PolarHBondContact OG-N 2.84Å; S354-E356 PolarHBondContact OG-OE2 2.72Å; E356-C358 PolarHBondContact O-N 2.92Å
357	T	50.4	Low	54.5	Low	81 Å²	81	85.2 Å²	85.2	50%	0.497	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-80.2	0.6	178.8	-6.7	0	0	0	0	113.7	S354	S354-T357 PolarHBondContact N-OG1 3.22Å; S354-T357 PolarHBondContact O-N 3.43Å; S354-T357 PolarHBondContact O-OG1 3.23Å; S354-T357 PolarHBondContact OG-N 3.39Å; S354-T357 PolarHBondContact OG-OG1 3.36Å
358	C	51.8	Low	54.8	Low	17 Å²	17	87.8 Å²	87.8	12%	0.115	44%	0.437	C	S	.	.			trans	-137.7	115	-177.8	-69.6	0	0	0	0	110.4	E356 S360 E363 K364	E356-C358 PolarHBondContact O-N 2.92Å; C358-S360 PolarHBondContact O-N 2.87Å; C358-E363 HydrophobicContact CB-CB 4.39Å; C358-K364 HydrophobicContact CB-CB 3.93Å; C358-K364 HydrophobicContact CB-CG 4.44Å; C358-K364 VanDerWaalsContact SG-CA 3.59Å
359	M	53.7	Low	55	Low	187 Å²	187	92.3 Å²	92.3	92%	0.921	46%	0.457	S	S	*	.	S	Bend	trans	-67.8	-16	-179.7	-61.3	179.1	67.8	0	0	112.8	E363	M359-E363 WeakPolarHBondContact CB-OE2 3.24Å; M359-E363 PolarHBondContact N-OE2 2.76Å
360	S	64.5	Low	55.3	Low	46 Å²	46	97.2 Å²	97.2	32%	0.322	48%	0.48	S	S	.	.	S	Bend	trans	-145.6	157.5	177.5	68.9	0	0	0	0	113.1	C358 L362 E363 K364	C358-S360 PolarHBondContact O-N 2.87Å; S360-L362 PolarHBondContact O-N 3.11Å; S360-E363 WeakPolarHBondContact CB-OE2 3.46Å; S360-E363 PolarHBondContact N-OE2 3.13Å; S360-E363 PolarHBondContact O-N 2.93Å; S360-E363 VanDerWaalsContact OG-CD 3.23Å; S360-E363 WeakPolarHBondContact OG-CG 3.4Å; S360-E363 PolarHBondContact OG-N 3.21Å; S360-E363 VanDerWaalsContact OG-N 3.13Å; S360-E363 PolarHBondContact OG-OE2 2.94Å; S360-K364 PolarHBondContact O-N 3.34Å; S360-K364 VanDerWaalsContact O-N 3.07Å
361	T	65.6	Low	55.5	Low	126 Å²	126	97 Å²	97	77%	0.773	48%	0.482	S	S	*	.	H	α-helix	trans	-61.9	-26.3	170.3	47.1	0	0	0	0	113	Y365	T361-Y365 PolarHBondContact O-N 3.36Å
362	L	69.7	Low	55.7	Low	106 Å²	106	100.9 Å²	100.9	56%	0.555	50%	0.496	S	S	*	.	H	α-helix	trans	-70.7	-41.3	176.3	-178.1	62.9	0	0	0	111.7	S360 Y365 K366	S360-L362 PolarHBondContact O-N 3.11Å; L362-Y365 PolarHBondContact O-N 3.42Å; L362-K366 WeakPolarHBondContact O-CG 3.45Å; L362-K366 PolarHBondContact O-N 3.08Å
363	E	63.5	Low	56.6	Low	75 Å²	75	96.3 Å²	96.3	35%	0.35	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-43.4	172.8	-71	152.1	146.3	0	0	110.8	C358 M359 S360 Y365 K366 V367	C358-E363 HydrophobicContact CB-CB 4.39Å; M359-E363 WeakPolarHBondContact CB-OE2 3.24Å; M359-E363 PolarHBondContact N-OE2 2.76Å; S360-E363 WeakPolarHBondContact CB-OE2 3.46Å; S360-E363 PolarHBondContact N-OE2 3.13Å; S360-E363 PolarHBondContact O-N 2.93Å; S360-E363 VanDerWaalsContact OG-CD 3.23Å; S360-E363 WeakPolarHBondContact OG-CG 3.4Å; S360-E363 PolarHBondContact OG-N 3.21Å; S360-E363 VanDerWaalsContact OG-N 3.13Å; S360-E363 PolarHBondContact OG-OE2 2.94Å; E363-Y365 PolarHBondContact O-N 3.14Å; E363-K366 PolarHBondContact O-N 3.5Å; E363-K366 VanDerWaalsContact O-N 3.08Å; E363-V367 WeakPolarHBondContact O-CG2 3.45Å; E363-V367 PolarHBondContact O-N 2.95Å
364	K	58.6	Low	56.9	Low	63 Å²	63	96 Å²	96	27%	0.274	49%	0.485	S	S	.	.	H	α-helix	trans	-55.1	-41.5	174.9	-160.6	177.9	-170.8	-176.1	0	111.9	E355 C358 S360 L368	E355-K364 IonicContact OE1-NZ 2.59Å; E355-K364 PolarHBondContact OE1-NZ 2.73Å; C358-K364 HydrophobicContact CB-CB 3.93Å; C358-K364 HydrophobicContact CB-CG 4.44Å; C358-K364 VanDerWaalsContact SG-CA 3.59Å; S360-K364 PolarHBondContact O-N 3.34Å; S360-K364 VanDerWaalsContact O-N 3.07Å; K364-L368 WeakPolarHBondContact O-CB 3.13Å; K364-L368 WeakPolarHBondContact O-CD1 3.26Å; K364-L368 WeakPolarHBondContact O-CG 3Å; K364-L368 PolarHBondContact O-N 3.17Å
365	Y	61.9	Low	57.1	Low	148 Å²	148	94.6 Å²	94.6	58%	0.58	48%	0.475	S	S	*	.	H	α-helix	trans	-67.1	-47.6	173.7	-176.3	-88.8	0	0	0	112.6	T361 L362 E363 L368 Q369	T361-Y365 PolarHBondContact O-N 3.36Å; L362-Y365 PolarHBondContact O-N 3.42Å; E363-Y365 PolarHBondContact O-N 3.14Å; Y365-L368 PolarHBondContact O-N 3.43Å; Y365-Q369 WeakPolarHBondContact O-CB 3.37Å; Y365-Q369 PolarHBondContact O-N 3.48Å
366	K	63.4	Low	57.7	Low	122 Å²	122	90.4 Å²	90.4	53%	0.53	46%	0.459	S	S	.	.	H	α-helix	trans	-57.4	-52.1	178.5	-76.8	175.6	176.3	-177.6	0	112.2	L362 E363 L368 Q369 E370	L362-K366 WeakPolarHBondContact O-CG 3.45Å; L362-K366 PolarHBondContact O-N 3.08Å; E363-K366 PolarHBondContact O-N 3.5Å; E363-K366 VanDerWaalsContact O-N 3.08Å; K366-L368 VanDerWaalsContact C-N 3.3Å; K366-L368 PolarHBondContact O-N 2.79Å; K366-Q369 PolarHBondContact O-N 3.06Å; K366-E370 VanDerWaalsContact O-CB 3.32Å; K366-E370 WeakPolarHBondContact O-CB 3.47Å; K366-E370 PolarHBondContact O-N 3.23Å
367	V	55.4	Low	58.2	Low	53 Å²	53	84.1 Å²	84.1	32%	0.321	43%	0.433	S	S	.	.	H	α-helix	trans	-69.8	-29.4	-176	-173.3	0	0	0	0	111	L353 E363 S371	L353-V367 HydrophobicContact CD1-CB 3.79Å; L353-V367 HydrophobicContact CD1-CG1 3.74Å; L353-V367 HydrophobicContact CD2-CG1 3.85Å; L353-V367 HydrophobicContact CG-CG1 4.38Å; E363-V367 WeakPolarHBondContact O-CG2 3.45Å; E363-V367 PolarHBondContact O-N 2.95Å; V367-S371 VanDerWaalsContact O-CB 3.23Å; V367-S371 WeakPolarHBondContact O-CB 3.46Å; V367-S371 PolarHBondContact O-N 2.84Å
368	L	56.7	Low	58.4	Low	94 Å²	94	80.3 Å²	80.3	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-64.8	-50.1	168.3	-76.6	171.3	0	0	0	112	L353 K364 Y365 K366 E370 S371 E372	L353-L368 HydrophobicContact CD1-CD2 4.32Å; L353-L368 HydrophobicContact CD1-CG 4.17Å; K364-L368 WeakPolarHBondContact O-CB 3.13Å; K364-L368 WeakPolarHBondContact O-CD1 3.26Å; K364-L368 WeakPolarHBondContact O-CG 3Å; K364-L368 PolarHBondContact O-N 3.17Å; Y365-L368 PolarHBondContact O-N 3.43Å; K366-L368 VanDerWaalsContact C-N 3.3Å; K366-L368 PolarHBondContact O-N 2.79Å; L368-E370 VanDerWaalsContact C-N 3.33Å; L368-E370 PolarHBondContact O-N 2.75Å; L368-S371 WeakPolarHBondContact O-CB 3.49Å; L368-S371 PolarHBondContact O-N 3.28Å; L368-S371 VanDerWaalsContact O-N 3.09Å; L368-S371 PolarHBondContact O-OG 3.27Å; L368-E372 PolarHBondContact O-N 2.73Å
369	Q	59.1	Low	58.7	Low	109 Å²	109	81.3 Å²	81.3	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-41.4	179	-173.1	178.7	10.5	0	0	112	Y365 K366 E372 L373	Y365-Q369 WeakPolarHBondContact O-CB 3.37Å; Y365-Q369 PolarHBondContact O-N 3.48Å; K366-Q369 PolarHBondContact O-N 3.06Å; Q369-E372 PolarHBondContact O-N 2.99Å; Q369-L373 WeakPolarHBondContact O-CB 3.47Å; Q369-L373 PolarHBondContact O-N 3.43Å
370	E	56.6	Low	59.1	Low	110 Å²	110	81.5 Å²	81.5	51%	0.514	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-42.8	171.8	-179.9	168.1	-145.5	0	0	111.4	K366 L368 E372 L373 I374	K366-E370 VanDerWaalsContact O-CB 3.32Å; K366-E370 WeakPolarHBondContact O-CB 3.47Å; K366-E370 PolarHBondContact O-N 3.23Å; L368-E370 VanDerWaalsContact C-N 3.33Å; L368-E370 PolarHBondContact O-N 2.75Å; E370-E372 VanDerWaalsContact C-N 3.26Å; E370-E372 PolarHBondContact O-N 3.39Å; E370-L373 PolarHBondContact O-N 3.37Å; E370-I374 HydrophobicContact CG-CD1 3.66Å; E370-I374 HydrophobicContact CG-CG1 4.34Å; E370-I374 WeakPolarHBondContact O-CB 3.33Å; E370-I374 WeakPolarHBondContact O-CG1 3.4Å; E370-I374 PolarHBondContact O-N 3.34Å
371	S	51.8	Low	58.6	Low	29 Å²	29	82.6 Å²	82.6	20%	0.203	42%	0.417	C	S	.	.	H	α-helix	trans	-60.2	-37.3	177.6	82.3	0	0	0	0	112.5	R308 V367 L368 S375	R308-S371 VanDerWaalsContact NH2-CA 3.34Å; R308-S371 PolarHBondContact NH2-O 2.99Å; V367-S371 VanDerWaalsContact O-CB 3.23Å; V367-S371 WeakPolarHBondContact O-CB 3.46Å; V367-S371 PolarHBondContact O-N 2.84Å; L368-S371 WeakPolarHBondContact O-CB 3.49Å; L368-S371 PolarHBondContact O-N 3.28Å; L368-S371 VanDerWaalsContact O-N 3.09Å; L368-S371 PolarHBondContact O-OG 3.27Å; S371-S375 WeakPolarHBondContact O-CB 3.38Å; S371-S375 PolarHBondContact O-N 3.28Å; S371-S375 PolarHBondContact O-OG 3.27Å
372	E	55.1	Low	58	Low	133 Å²	133	78.2 Å²	78.2	62%	0.621	39%	0.388	S	S	*	.	H	α-helix	trans	-74.5	-44.3	177.8	-175.3	172.6	-154.1	0	0	112.3	L368 Q369 E370 I374 S375 T376	L368-E372 PolarHBondContact O-N 2.73Å; Q369-E372 PolarHBondContact O-N 2.99Å; E370-E372 VanDerWaalsContact C-N 3.26Å; E370-E372 PolarHBondContact O-N 3.39Å; E372-I374 VanDerWaalsContact C-N 3.32Å; E372-I374 PolarHBondContact O-N 3.15Å; E372-S375 PolarHBondContact O-N 2.87Å; E372-S375 VanDerWaalsContact O-N 3.15Å; E372-T376 WeakPolarHBondContact O-CG2 3.43Å; E372-T376 PolarHBondContact O-N 2.9Å; E372-T376 PolarHBondContact O-OG1 2.95Å
373	L	60.5	Low	57.4	Low	109 Å²	109	78.1 Å²	78.1	57%	0.571	39%	0.393	S	S	*	.	H	α-helix	trans	-57.3	-45.6	173.2	176.2	61.9	0	0	0	111.4	Q369 E370 T376 T377	Q369-L373 WeakPolarHBondContact O-CB 3.47Å; Q369-L373 PolarHBondContact O-N 3.43Å; E370-L373 PolarHBondContact O-N 3.37Å; L373-T376 PolarHBondContact O-OG1 3.27Å; L373-T377 VanDerWaalsContact O-CB 3.3Å; L373-T377 WeakPolarHBondContact O-CB 3.44Å; L373-T377 PolarHBondContact O-N 2.77Å; L373-T377 PolarHBondContact O-OG1 3.41Å
374	I	53.9	Low	56.8	Low	33 Å²	33	79.3 Å²	79.3	17%	0.169	40%	0.399	C	S	.	.	H	α-helix	trans	-67.2	-38	177.1	-66.6	172.3	0	0	0	110.5	A327 A328 E370 E372 T377 F378	A327-I374 HydrophobicContact CB-CD1 4.48Å; A327-I374 HydrophobicContact CB-CG2 3.8Å; A327-I374 WeakPolarHBondContact O-CG2 3.06Å; A328-I374 HydrophobicContact CB-CG2 4.21Å; E370-I374 HydrophobicContact CG-CD1 3.66Å; E370-I374 HydrophobicContact CG-CG1 4.34Å; E370-I374 WeakPolarHBondContact O-CB 3.33Å; E370-I374 WeakPolarHBondContact O-CG1 3.4Å; E370-I374 PolarHBondContact O-N 3.34Å; E372-I374 VanDerWaalsContact C-N 3.32Å; E372-I374 PolarHBondContact O-N 3.15Å; I374-T377 PolarHBondContact O-N 3.17Å; I374-F378 VanDerWaalsContact O-CB 3.26Å; I374-F378 WeakPolarHBondContact O-CB 2.88Å; I374-F378 PolarHBondContact O-N 3.35Å
375	S	52.3	Low	56.5	Low	16 Å²	16	76.5 Å²	76.5	11%	0.112	39%	0.387	C	S	.	.	H	α-helix	trans	-69.5	-38.8	178.8	-60	0	0	0	0	113.5	R308 L350 S371 E372 F378 A379	R308-S375 PolarHBondContact NH1-OG 3.33Å; L350-S375 WeakPolarHBondContact CD2-OG 3.18Å; S371-S375 WeakPolarHBondContact O-CB 3.38Å; S371-S375 PolarHBondContact O-N 3.28Å; S371-S375 PolarHBondContact O-OG 3.27Å; E372-S375 PolarHBondContact O-N 2.87Å; E372-S375 VanDerWaalsContact O-N 3.15Å; S375-F378 PolarHBondContact O-N 2.77Å; S375-A379 WeakPolarHBondContact O-CB 3.28Å; S375-A379 PolarHBondContact O-N 3.41Å
376	T	57.1	Low	55.8	Low	62 Å²	62	78.2 Å²	78.2	38%	0.38	39%	0.392	S	S	.	.	H	α-helix	trans	-71	-35	174.6	51.6	0	0	0	0	111.6	E372 L373 R380	E372-T376 WeakPolarHBondContact O-CG2 3.43Å; E372-T376 PolarHBondContact O-N 2.9Å; E372-T376 PolarHBondContact O-OG1 2.95Å; L373-T376 PolarHBondContact O-OG1 3.27Å; T376-R380 VanDerWaalsContact O-CG 3.3Å; T376-R380 WeakPolarHBondContact O-CG 3.05Å; T376-R380 PolarHBondContact O-N 3.41Å; T376-R380 VanDerWaalsContact O-N 3.17Å
377	T	60.1	Low	54.7	Low	47 Å²	47	73.1 Å²	73.1	29%	0.288	38%	0.375	S	S	.	.	H	α-helix	trans	-63.4	-49.1	170.2	-58.8	0	0	0	0	111.1	L373 I374 A379 R380 S381	L373-T377 VanDerWaalsContact O-CB 3.3Å; L373-T377 WeakPolarHBondContact O-CB 3.44Å; L373-T377 PolarHBondContact O-N 2.77Å; L373-T377 PolarHBondContact O-OG1 3.41Å; I374-T377 PolarHBondContact O-N 3.17Å; T377-A379 PolarHBondContact O-N 2.75Å; T377-R380 WeakPolarHBondContact O-CB 3.44Å; T377-R380 PolarHBondContact O-N 3.42Å; T377-R380 VanDerWaalsContact O-N 3.15Å; T377-S381 PolarHBondContact O-N 3.41Å; T377-S381 PolarHBondContact O-OG 2.85Å
378	F	55.6	Low	53.7	Low	1 Å²	1	77.3 Å²	77.3	0%	0.004	39%	0.389	C	S	.	.	H	α-helix	trans	-57.8	-45.6	177	-170.3	-73.9	0	0	0	112.1	V310 L322 P330 L334 V348 I374 S375 R380 S381 F382 V385	V310-F378 HydrophobicContact CG2-CZ 4.06Å; L322-F378 HydrophobicContact CD1-CD2 4.3Å; L322-F378 HydrophobicContact CD1-CE2 3.63Å; L322-F378 HydrophobicContact CD1-CZ 4.12Å; L322-F378 HydrophobicContact CD2-CE2 3.91Å; L322-F378 HydrophobicContact CD2-CZ 4.42Å; L322-F378 HydrophobicContact CG-CE2 4.48Å; P330-F378 HydrophobicContact CB-CE2 3.71Å; P330-F378 HydrophobicContact CB-CZ 3.9Å; P330-F378 HydrophobicContact CG-CE2 3.87Å; P330-F378 HydrophobicContact CG-CZ 4.03Å; L334-F378 HydrophobicContact CD2-CZ 3.75Å; V348-F378 HydrophobicContact CG2-CD1 3.58Å; V348-F378 HydrophobicContact CG2-CE1 3.38Å; V348-F378 HydrophobicContact CG2-CG 4.38Å; V348-F378 HydrophobicContact CG2-CZ 3.99Å; I374-F378 VanDerWaalsContact O-CB 3.26Å; I374-F378 WeakPolarHBondContact O-CB 2.88Å; I374-F378 PolarHBondContact O-N 3.35Å; S375-F378 PolarHBondContact O-N 2.77Å; F378-R380 VanDerWaalsContact C-N 3.28Å; F378-R380 PolarHBondContact O-N 3.28Å; F378-S381 PolarHBondContact O-N 2.75Å; F378-F382 HydrophobicContact CD1-CB 4.41Å; F378-F382 HydrophobicContact CD1-CD2 4.48Å; F378-F382 HydrophobicContact CE1-CB 4.02Å; F378-F382 HydrophobicContact CE1-CD2 4.25Å; F378-F382 HydrophobicContact CE1-CG 4.37Å; F378-F382 HydrophobicContact CZ-CD2 4.31Å; F378-F382 PolarHBondContact O-N 3.2Å; F378-V385 HydrophobicContact CE1-CB 3.96Å; F378-V385 HydrophobicContact CE1-CG1 3.77Å; F378-V385 HydrophobicContact CZ-CG1 4.47Å
379	A	57.7	Low	52.5	Low	38 Å²	38	79.2 Å²	79.2	31%	0.314	40%	0.404	S	S	.	.	H	α-helix	trans	-66.7	-26.4	179.4	0	0	0	0	0	113.4	S375 T377	S375-A379 WeakPolarHBondContact O-CB 3.28Å; S375-A379 PolarHBondContact O-N 3.41Å; T377-A379 PolarHBondContact O-N 2.75Å
380	R	61.1	Low	51.1	Low	192 Å²	192	76.9 Å²	76.9	73%	0.725	41%	0.41	S	S	*	.	H	α-helix	trans	-71.7	-44.4	170.4	-72.2	166.5	179.2	168.5	0.9	111.4	T376 T377 F378	T376-R380 VanDerWaalsContact O-CG 3.3Å; T376-R380 WeakPolarHBondContact O-CG 3.05Å; T376-R380 PolarHBondContact O-N 3.41Å; T376-R380 VanDerWaalsContact O-N 3.17Å; T377-R380 WeakPolarHBondContact O-CB 3.44Å; T377-R380 PolarHBondContact O-N 3.42Å; T377-R380 VanDerWaalsContact O-N 3.15Å; F378-R380 VanDerWaalsContact C-N 3.28Å; F378-R380 PolarHBondContact O-N 3.28Å
381	S	54.5	Low	49.7	Very low	68 Å²	68	79 Å²	79	48%	0.476	43%	0.425	S	S	.	.	H	α-helix	trans	-70.2	-31.8	179.2	-56.6	0	0	0	0	112.9	T377 F378 P383	T377-S381 PolarHBondContact O-N 3.41Å; T377-S381 PolarHBondContact O-OG 2.85Å; F378-S381 PolarHBondContact O-N 2.75Å; S381-P383 WeakPolarHBondContact O-CD 3.39Å
382	F	53.5	Low	48.5	Very low	34 Å²	34	83.6 Å²	83.6	15%	0.149	46%	0.457	C	S	.	.			trans	-127.5	73.8	-177.2	-62.9	-81.1	0	0	0	112.6	P330 E335 F378 H384 V385	P330-F382 HydrophobicContact CG-CD1 4.24Å; P330-F382 HydrophobicContact CG-CD2 3.58Å; P330-F382 HydrophobicContact CG-CE1 3.85Å; P330-F382 HydrophobicContact CG-CE2 3.16Å; P330-F382 HydrophobicContact CG-CG 4.13Å; P330-F382 HydrophobicContact CG-CZ 3.31Å; E335-F382 HydrophobicContact CB-CE1 3.91Å; E335-F382 HydrophobicContact CG-CD1 4.45Å; E335-F382 HydrophobicContact CG-CE1 3.84Å; F378-F382 HydrophobicContact CD1-CB 4.41Å; F378-F382 HydrophobicContact CD1-CD2 4.48Å; F378-F382 HydrophobicContact CE1-CB 4.02Å; F378-F382 HydrophobicContact CE1-CD2 4.25Å; F378-F382 HydrophobicContact CE1-CG 4.37Å; F378-F382 HydrophobicContact CZ-CD2 4.31Å; F378-F382 PolarHBondContact O-N 3.2Å; F382-H384 PolarHBondContact O-N 2.9Å; F382-V385 HydrophobicContact CB-CB 4.06Å; F382-V385 HydrophobicContact CB-CG2 3.93Å; F382-V385 PolarHBondContact O-N 3.45Å
383	P	56.2	Low	47.1	Very low	104 Å²	104	81 Å²	81	68%	0.675	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-18.2	-176.8	-25.6	35.5	0	0	0	115.5	S381	S381-P383 WeakPolarHBondContact O-CD 3.39Å
384	H	52.4	Low	45.5	Very low	101 Å²	101	84.7 Å²	84.7	47%	0.468	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.4	174.2	-63.8	-45.9	0	0	0	113.2	M338 G345 G346 F382	M338-H384 HydrophobicContact SD-CB 4.47Å; G345-H384 WeakPolarHBondContact CA-O 3.01Å; G346-H384 PolarHBondContact N-O 3.3Å; F382-H384 PolarHBondContact O-N 2.9Å
385	V	51.8	Low	44.2	Very low	3 Å²	3	88.6 Å²	88.6	2%	0.018	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	112.9	-179.6	-173.2	0	0	0	0	108.5	V310 L334 M338 G346 V348 F378 F382 G387	V310-V385 HydrophobicContact CG1-CG1 3.53Å; V310-V385 HydrophobicContact CG1-CG2 4.5Å; L334-V385 HydrophobicContact CD1-CG2 4.4Å; L334-V385 HydrophobicContact CD2-CG2 4.1Å; L334-V385 HydrophobicContact CG-CG2 4.43Å; M338-V385 HydrophobicContact CG-CG2 4.21Å; M338-V385 HydrophobicContact SD-CG2 3.98Å; G346-V385 CarbonylContact O-C 3.55Å; G346-V385 WeakPolarHBondContact O-CA 3.37Å; V348-V385 HydrophobicContact CG2-CG1 3.63Å; F378-V385 HydrophobicContact CE1-CB 3.96Å; F378-V385 HydrophobicContact CE1-CG1 3.77Å; F378-V385 HydrophobicContact CZ-CG1 4.47Å; F382-V385 HydrophobicContact CB-CB 4.06Å; F382-V385 HydrophobicContact CB-CG2 3.93Å; F382-V385 PolarHBondContact O-N 3.45Å; V385-G387 PolarHBondContact O-N 2.96Å
386	R	47.6	Very low	42.9	Very low	184 Å²	184	95.7 Å²	95.7	69%	0.694	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.9	107.2	-179.1	-66.5	-170.7	178.2	-153.5	-0.5	110.1	G346 Q347 V348	G346-R386 PolarHBondContact O-N 2.86Å; Q347-R386 WeakPolarHBondContact CA-O 3.23Å; V348-R386 PolarHBondContact N-O 2.81Å; V348-R386 VanDerWaalsContact N-O 3.08Å
387	G	40	Very low	41.4	Very low	16 Å²	16	98 Å²	98	17%	0.165	57%	0.571	C	S	.	*			trans	-69.7	168.5	158.3	0	0	0	0	0	111.3	V385 T389	V385-G387 PolarHBondContact O-N 2.96Å; G387-T389 PolarHBondContact O-N 2.83Å
388	F	33.5	Very low	39.8	Very low	140 Å²	140	100.4 Å²	100.4	61%	0.614	59%	0.588	S	S	*	*			trans	-72.5	95	-177.9	-169.6	-89.2	0	0	0	111.3	G390	F388-G390 PolarHBondContact O-N 2.85Å
389	T	32.4	Very low	38.3	Very low	134 Å²	134	108.9 Å²	108.9	82%	0.822	63%	0.625	S	S	*	*			trans	-83.6	105.6	170.1	53.9	0	0	0	0	109.8	G387 N391	G387-T389 PolarHBondContact O-N 2.83Å; T389-N391 PolarHBondContact O-N 2.68Å
390	G	30	Very low	36.8	Very low	61 Å²	61	116.9 Å²	116.9	63%	0.629	65%	0.647	S	S	*	*			trans	-66.1	118.3	177.1	0	0	0	0	0	112.7	F388	F388-G390 PolarHBondContact O-N 2.85Å
391	N	26.9	Very low	35.1	Very low	153 Å²	153	117.5 Å²	117.5	82%	0.818	66%	0.655	S	S	*	*	S	Bend	trans	57.2	139.7	168	-78.5	-6.2	0	0	0	120.6	T389	T389-N391 PolarHBondContact O-N 2.68Å
392	S	27	Very low	33.8	Very low	126 Å²	126	122 Å²	122	88%	0.881	67%	0.669	S	S	*	*			trans	60.2	123.7	153.2	58	0	0	0	0	119.6
393	G	25.9	Very low	32.4	Very low	80 Å²	80	131.6 Å²	131.6	83%	0.825	70%	0.704	S	S	*	*			trans	149.8	90.9	166.2	0	0	0	0	0	114.2
394	L	25	Very low	31.1	Very low	186 Å²	186	137.7 Å²	137.7	97%	0.974	72%	0.715	S	S	*	*			trans	-76.7	120	166.3	-75.1	154.6	0	0	0	109.6
395	S	27.1	Very low	30	Very low	114 Å²	114	138.3 Å²	138.3	80%	0.797	73%	0.731	S	S	*	*			trans	-161	140.9	155.6	-166.7	0	0	0	0	112.1
396	N	24.6	Very low	28.8	Very low	166 Å²	166	140.6 Å²	140.6	89%	0.888	76%	0.755	S	S	*	*			trans	-100.1	121.1	175.8	-72.4	-43	0	0	0	110.2
397	S	26.3	Very low	27.9	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	76%	0.764	S	S	*	*			trans	-161	116.8	160	-171.9	0	0	0	0	111.9
398	P	26.8	Very low	27.5	Very low	97 Å²	97	146.2 Å²	146.2	63%	0.63	80%	0.8	S	S	*	*			trans	-87.2	143.5	161.7	34.4	-29.9	0	0	0	110.3
399	F	25	Very low	27.3	Very low	178 Å²	178	144.1 Å²	144.1	78%	0.781	81%	0.809	S	S	*	*			trans	177.1	126.9	130	-91.9	-54.8	0	0	0	114.3
400	R	24.8	Very low	27.3	Very low	206 Å²	206	143.9 Å²	143.9	78%	0.777	81%	0.813	S	S	*	*			trans	39.9	101.1	134	-170.4	-173.2	-67.7	174.3	-0.8	118.6
401	F	24.9	Very low	27.3	Very low	206 Å²	206	153 Å²	153	90%	0.904	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-88.6	147.5	159.6	-79.8	-81.6	0	0	0	113
402	H	28.2	Very low	27.6	Very low	163 Å²	163	149.8 Å²	149.8	76%	0.755	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-83.4	149	167.9	-95.6	-114.3	0	0	0	111
403	R	24	Very low	27.8	Very low	235 Å²	235	149.6 Å²	149.6	89%	0.887	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.1	140.3	158.1	-62.7	179.6	-179.4	-175.9	-3.1	109.2
404	Y	28.2	Very low	28.2	Very low	231 Å²	231	153.3 Å²	153.3	91%	0.906	82%	0.818	S	S	*	*			trans	-148.7	153.9	142.8	-100.2	-72.1	0	0	0	110.1
405	S	29.5	Very low	28.4	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	81%	0.809	S	S	*	*			trans	-87	152.5	177.5	-172.4	0	0	0	0	110.7
406	G	27.1	Very low	28.8	Very low	51 Å²	51	154.2 Å²	154.2	53%	0.526	82%	0.815	S	S	.	*			trans	-69.1	173.2	155.5	0	0	0	0	0	111.4
407	N	28.4	Very low	29.1	Very low	164 Å²	164	149.3 Å²	149.3	88%	0.877	80%	0.803	S	S	*	*			cis	-152	147.4	-0.7	-90.7	-20.5	0	0	0	108.9
408	T	31.4	Very low	29.5	Very low	153 Å²	153	152.5 Å²	152.5	94%	0.939	81%	0.812	S	S	*	*			trans	-155.2	148.1	147.5	32.3	0	0	0	0	109.3
409	A	28.9	Very low	29.7	Very low	96 Å²	96	152 Å²	152	79%	0.793	82%	0.816	S	S	*	*			trans	-114.6	152.2	-175.3	0	0	0	0	0	112.2
410	S	33.8	Very low	30.1	Very low	130 Å²	130	149.1 Å²	149.1	91%	0.909	82%	0.815	S	S	*	*			trans	-166.7	163.1	152	-87.4	0	0	0	0	111.8
411	R	29.1	Very low	30.5	Very low	251 Å²	251	146.4 Å²	146.4	95%	0.947	82%	0.816	S	S	*	*			trans	-98.8	140.8	-169	-61.1	168.3	172	155	-6.2	113.3
412	A	33.2	Very low	30.7	Very low	86 Å²	86	141.9 Å²	141.9	71%	0.711	81%	0.805	S	S	*	*			trans	-176.2	114	141.1	0	0	0	0	0	106.5
413	T	31.4	Very low	30.9	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	81%	0.811	S	S	*	*				47.2	104.3	81.3	63	0	0	0	0	114
414	D	33.8	Very low	31	Very low	158 Å²	158	135.7 Å²	135.7	85%	0.845	80%	0.801	S	S	*	*				-166.8	166.7	109.7	-89.2	-18.8	0	0	0	111.5
415	N	30.8	Very low	31.3	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	79%	0.789	S	S	*	*			trans	-86.1	149	-178.5	-60.7	-61.4	0	0	0	111.6
416	D	35.2	Very low	31.5	Very low	170 Å²	170	133.8 Å²	133.8	91%	0.909	79%	0.789	S	S	*	*				-171.4	155.9	104	-99.1	-23.5	0	0	0	111.5
417	G	31.2	Very low	31.7	Very low	63 Å²	63	139.1 Å²	139.1	65%	0.649	80%	0.804	S	S	*	*			trans	-111.7	167.9	-169.5	0	0	0	0	0	115
418	N	33.9	Very low	31.7	Very low	178 Å²	178	136.1 Å²	136.1	95%	0.952	80%	0.796	S	S	*	*			trans	-156	158.6	147.5	-115.3	-62.7	0	0	0	112.2
419	A	31.5	Very low	31.7	Very low	88 Å²	88	140 Å²	140	73%	0.727	79%	0.793	S	S	*	*			trans	-96.8	160.1	-160.9	0	0	0	0	0	115
420	P	33.4	Very low	31.8	Very low	116 Å²	116	143.8 Å²	143.8	75%	0.753	80%	0.799	S	S	*	*			trans	-92.2	158.1	179.3	36.8	-35.8	0	0	0	114.1
421	N	33.2	Very low	31.6	Very low	149 Å²	149	142.1 Å²	142.1	80%	0.797	79%	0.787	S	S	*	*			trans	-159.2	130	155	-95.4	-51.1	0	0	0	108.9
422	T	27.6	Very low	31.6	Very low	111 Å²	111	136 Å²	136	68%	0.681	78%	0.778	S	S	*	*				84.4	103	63.8	-55.9	0	0	0	0	113.8
423	I	32.3	Very low	31.6	Very low	169 Å²	169	138.3 Å²	138.3	87%	0.867	78%	0.779	S	S	*	*			trans	-141.8	142.6	144.2	-65.8	-169.6	0	0	0	108
424	S	27.3	Very low	31.8	Very low	99 Å²	99	139.8 Å²	139.8	69%	0.692	78%	0.777	S	S	*	*			trans	-132.9	157.4	178	-48	0	0	0	0	111.7
425	N	33.5	Very low	31.8	Very low	121 Å²	121	138.2 Å²	138.2	65%	0.647	77%	0.769	S	S	*	*			trans	-160	124.2	147.3	-90.1	-47	0	0	0	107.8
426	K	35.1	Very low	31.7	Very low	186 Å²	186	138.3 Å²	138.3	81%	0.809	77%	0.769	S	S	*	*				64	140.4	92.9	-62.6	178.5	-163.3	151.3	0	112.6
427	I	31.4	Very low	31.7	Very low	162 Å²	162	137.9 Å²	137.9	83%	0.831	77%	0.767	S	S	*	*			cis	-132.5	165.2	33.3	-68.1	168	0	0	0	111.7
428	S	28.3	Very low	31.7	Very low	102 Å²	102	143.6 Å²	143.6	71%	0.713	77%	0.774	S	S	*	*			trans	-136.6	172	174.7	-45.2	0	0	0	0	111.3
429	R	31.6	Very low	31.5	Very low	234 Å²	234	143 Å²	143	88%	0.883	77%	0.77	S	S	*	*			trans	86.1	121.6	171.6	-50.3	168.3	-175.2	-179.5	0.1	116.2
430	L	31	Very low	31.2	Very low	176 Å²	176	143.9 Å²	143.9	92%	0.921	77%	0.77	S	S	*	*				-157.5	163.7	97.4	-95	160.5	0	0	0	108.8
431	S	29	Very low	31.2	Very low	94 Å²	94	146.2 Å²	146.2	66%	0.657	78%	0.775	S	S	*	*			trans	-140.6	177.1	-163.8	-52.7	0	0	0	0	111.8
432	T	29.4	Very low	30.9	Very low	122 Å²	122	148 Å²	148	75%	0.748	78%	0.776	S	S	*	*			trans	67.1	143	160.6	43.5	0	0	0	0	116.1
433	D	33.3	Very low	31.2	Very low	136 Å²	136	151.8 Å²	151.8	73%	0.727	79%	0.785	S	S	*	*			cis	-160.7	-179.6	9.1	-121.5	-29.2	0	0	0	113.7
434	H	35.8	Very low	31.2	Very low	152 Å²	152	153 Å²	153	70%	0.704	78%	0.784	S	S	*	*			trans	94.1	130.8	148.8	-89.4	-69.2	0	0	0	124.8
435	N	33.5	Very low	31.3	Very low	126 Å²	126	153.2 Å²	153.2	67%	0.674	79%	0.786	S	S	*	*			trans	73.9	109.3	155.5	-54.5	-21.5	0	0	0	118
436	N	27.5	Very low	31.2	Very low	151 Å²	151	156.3 Å²	156.3	81%	0.807	79%	0.794	S	S	*	*				70	112.4	63.8	-72.4	-27.5	0	0	0	114.4
437	D	35.2	Very low	30.9	Very low	161 Å²	161	154.2 Å²	154.2	86%	0.861	79%	0.791	S	S	*	*				-155.5	170.3	99.7	-137	-32.6	0	0	0	113.1
438	K	31.5	Very low	31	Very low	183 Å²	183	154.4 Å²	154.4	80%	0.796	79%	0.788	S	S	*	*			trans	-94.4	152.9	-177.2	-66	172.7	179.4	168.7	0	112.9
439	L	30.8	Very low	31	Very low	166 Å²	166	155.8 Å²	155.8	87%	0.869	79%	0.792	S	S	*	*				-159.4	139.9	121.3	-109.2	157.7	0	0	0	111.2
440	S	24.9	Very low	31	Very low	106 Å²	106	151 Å²	151	74%	0.741	79%	0.788	S	S	*	*			trans	-157.2	132.6	179.4	56.2	0	0	0	0	110.9
441	I	33.5	Very low	30.9	Very low	164 Å²	164	149.4 Å²	149.4	84%	0.841	78%	0.78	S	S	*	*			trans	-132.8	135.7	172	-64.3	-177.1	0	0	0	108.6
442	K	26	Very low	30.9	Very low	188 Å²	188	153.4 Å²	153.4	82%	0.817	79%	0.789	S	S	*	*			trans	-110.9	142.5	176.5	-58.4	169.3	179.7	172.9	0	108.8
443	Q	35.3	Very low	30.9	Very low	189 Å²	189	157.5 Å²	157.5	88%	0.883	80%	0.796	S	S	*	*			trans	166.5	121	138.7	-89.9	151.2	16.1	0	0	107.4
444	K	30.3	Very low	30.8	Very low	194 Å²	194	156.7 Å²	156.7	84%	0.843	80%	0.801	S	S	*	*				82.1	100.9	62.3	-90.7	-162.2	170.5	-172.9	0	115.2
445	S	31.1	Very low	30.4	Very low	105 Å²	105	156.7 Å²	156.7	73%	0.734	81%	0.806	S	S	*	*				84.5	131	124.7	68.4	0	0	0	0	122.9
446	K	30	Very low	30.1	Very low	186 Å²	186	160 Å²	160	81%	0.809	82%	0.815	S	S	*	*			trans	104.3	153.2	130.4	-115.7	-173.7	179.1	-164.5	0	118.5
447	L	29.5	Very low	30.2	Very low	142 Å²	142	160.3 Å²	160.3	74%	0.743	81%	0.812	S	S	*	*			trans	67.8	153.6	-174.7	-74.8	72.9	0	0	0	115.7
448	E	33	Very low	29.8	Very low	166 Å²	166	162.2 Å²	162.2	78%	0.776	82%	0.815	S	S	*	*			cis	-159.4	169.1	-47.5	-125.6	157.8	-156.9	0	0	110.8
449	T	28.4	Very low	29.6	Very low	130 Å²	130	162.6 Å²	162.6	80%	0.798	82%	0.817	S	S	*	*			trans	-55	167.8	-170	-37.2	0	0	0	0	117.2
450	V	32.2	Very low	29.4	Very low	133 Å²	133	160.3 Å²	160.3	81%	0.806	80%	0.802	S	S	*	*			trans	104.7	135.9	169.9	175.6	0	0	0	0	113.2
451	L	27.7	Very low	29.4	Very low	143 Å²	143	161.7 Å²	161.7	75%	0.749	81%	0.806	S	S	*	*			cis	-171	175	-22.7	-172.5	65.5	0	0	0	106.8
452	E	30.6	Very low	29.1	Very low	179 Å²	179	157.2 Å²	157.2	84%	0.836	78%	0.781	S	S	*	*			trans	82.9	167.9	163.4	-50.9	-161.4	151.4	0	0	117.8
453	K	28.7	Very low	29	Very low	208 Å²	208	153.5 Å²	153.5	90%	0.904	77%	0.765	S	S	*	*			trans	-119.1	147.9	-153.8	-55.2	174.2	-178.1	177.8	0	112.3
454	S	31.3	Very low	28.7	Very low	118 Å²	118	147.8 Å²	147.8	83%	0.825	74%	0.74	S	S	*	*			trans	-150.8	134	157.2	52.2	0	0	0	0	110.9
455	D	26.6	Very low	28.6	Very low	153 Å²	153	144 Å²	144	82%	0.818	73%	0.728	S	S	*	*			trans	-77.9	139.6	-177	-45.2	-95.1	0	0	0	111.7
456	F	28.8	Very low	28.5	Very low	194 Å²	194	143.6 Å²	143.6	85%	0.851	72%	0.723	S	S	*	*			trans	-154.1	92.6	159.5	-121	-74.9	0	0	0	113.5
457	Q	29.2	Very low	28.4	Very low	159 Å²	159	139.6 Å²	139.6	74%	0.743	71%	0.71	S	S	*	*			trans	26.1	107.2	148.5	-62.9	174.4	-22.1	0	0	118.6
458	Q	26	Very low	28.3	Very low	201 Å²	201	138.7 Å²	138.7	94%	0.939	71%	0.71	S	S	*	*			trans	-66.5	133.2	144.2	-71.4	179.2	-67.1	0	0	107.9
459	K	28.2	Very low	28.2	Very low	190 Å²	190	136.2 Å²	136.2	83%	0.826	70%	0.701	S	S	*	*			trans	-108.1	131.2	-172.2	-163.6	170.9	-174.6	176.2	0	111
460	E	25.4	Very low	28.2	Very low	119 Å²	119	134.4 Å²	134.4	56%	0.556	69%	0.691	S	S	*	*			trans	-68.6	155	-171.2	-63	123	134.7	0	0	114.1	H572	E460-H572 IonicContact OE1-CE1 3.15Å; E460-H572 PolarHBondContact OE1-CE1 3.02Å; E460-H572 IonicContact OE1-ND1 3.77Å
461	T	25.4	Very low	28.2	Very low	134 Å²	134	132.5 Å²	132.5	82%	0.822	68%	0.682	S	S	*	*			trans	-107.8	82	-179.4	56.2	0	0	0	0	111.9
462	F	26.9	Very low	28.4	Very low	71 Å²	71	129.7 Å²	129.7	31%	0.311	67%	0.672	S	S	.	*			trans	-50.5	138.6	179	-141.6	-97.2	0	0	0	114.1	E564 P565 E567	F462-E564 HydrophobicContact CZ-CG 4.45Å; F462-P565 WeakPolarHBondContact CZ-O 3.21Å; F462-E567 VanDerWaalsContact CD2-CD 3.48Å; F462-E567 HydrophobicContact CD2-CG 4.13Å; F462-E567 WeakPolarHBondContact CD2-OE1 3.46Å; F462-E567 HydrophobicContact CE2-CB 4.49Å; F462-E567 HydrophobicContact CE2-CG 3.67Å; F462-E567 HydrophobicContact CZ-CG 4.15Å
463	F	24.8	Very low	28.4	Very low	110 Å²	110	124.2 Å²	124.2	48%	0.482	65%	0.652	S	S	.	*			trans	-137.3	63.5	-172.7	-147.2	-83.8	0	0	0	116.5	I465	F463-I465 HydrophobicContact CE1-CD1 4.01Å; F463-I465 HydrophobicContact CE1-CG1 4.46Å
464	D	28.2	Very low	28.6	Very low	68 Å²	68	120.3 Å²	120.3	36%	0.364	65%	0.648	S	S	.	*			trans	-84.8	134.2	177.5	-123.8	-32.7	0	0	0	114.6	R232	R232-D464 PolarHBondContact NH1-O 3.3Å
465	I	28	Very low	28.6	Very low	114 Å²	114	120.2 Å²	120.2	59%	0.585	65%	0.647	S	S	*	*			trans	-144.7	107.8	167.1	-58.4	-177.5	0	0	0	109.9	F463 L467	F463-I465 HydrophobicContact CE1-CD1 4.01Å; F463-I465 HydrophobicContact CE1-CG1 4.46Å; I465-L467 PolarHBondContact O-N 3.36Å; I465-L467 VanDerWaalsContact O-N 3.11Å
466	P	30.1	Very low	29	Very low	98 Å²	98	117.8 Å²	117.8	64%	0.636	64%	0.642	S	S	*	*			trans	-70.3	101.9	-175.7	-24.4	36.1	0	0	0	115.9	T468	P466-T468 PolarHBondContact O-N 2.94Å; P466-T468 VanDerWaalsContact O-N 3.13Å
467	L	28.1	Very low	29.3	Very low	101 Å²	101	119.9 Å²	119.9	53%	0.529	65%	0.645	S	S	.	*			trans	-78.2	88.5	173.7	-75.3	171.7	0	0	0	113	I465 V494	I465-L467 PolarHBondContact O-N 3.36Å; I465-L467 VanDerWaalsContact O-N 3.11Å; L467-V494 HydrophobicContact CD1-CB 4.41Å
468	T	27.4	Very low	29.5	Very low	123 Å²	123	118.2 Å²	118.2	76%	0.755	65%	0.646	S	S	*	*			trans	-100.6	104.8	175	53.7	0	0	0	0	113.2	P466	P466-T468 PolarHBondContact O-N 2.94Å; P466-T468 VanDerWaalsContact O-N 3.13Å
469	I	30	Very low	29.9	Very low	115 Å²	115	114.6 Å²	114.6	59%	0.59	64%	0.637	S	S	*	*			trans	-134.2	124.3	167.3	-58.6	-179.1	0	0	0	109.1
470	P	29.7	Very low	30	Very low	91 Å²	91	111.3 Å²	111.3	59%	0.591	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-72.9	156	-178.2	28.1	-34.4	0	0	0	114	R491	P470-R491 PolarHBondContact O-NH2 2.95Å
471	P	30.7	Very low	30.3	Very low	94 Å²	94	110.6 Å²	110.6	61%	0.61	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-68.7	149.8	-174.8	29.4	-36.4	0	0	0	112.7	F151	F151-P471 WeakPolarHBondContact CZ-O 3.15Å
472	P	33.2	Very low	30.8	Very low	83 Å²	83	113.2 Å²	113.2	54%	0.539	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-82.8	161	175.5	35.9	-34	0	0	0	112.8
473	P	30	Very low	31.2	Very low	64 Å²	64	117.9 Å²	117.9	42%	0.416	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-88.4	170.6	171.6	37.2	-27.8	0	0	0	111.2	F151	F151-P473 HydrophobicContact CD2-CG 4.2Å; F151-P473 HydrophobicContact CE2-CB 4.43Å; F151-P473 VanDerWaalsContact CE2-CD 3.49Å; F151-P473 HydrophobicContact CE2-CG 3.72Å; F151-P473 HydrophobicContact CZ-CG 4.31Å
474	P	33.4	Very low	31.5	Very low	126 Å²	126	122.3 Å²	122.3	82%	0.818	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.8	161.9	179.5	-22.1	35	0	0	0	114.3
475	S	31.8	Very low	31.7	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	72%	0.716	S	S	*	*			trans	-118.4	129.9	-176.9	-68	0	0	0	0	113
476	S	34	Very low	31.8	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	72%	0.723	S	S	*	*			trans	-94.8	143.7	171.6	-68.5	0	0	0	0	112.3
477	R	36.1	Very low	32	Very low	239 Å²	239	131.9 Å²	131.9	90%	0.902	72%	0.724	S	S	*	*			trans	-88.3	164	-167.5	-39.2	176.3	-175	-171.3	-0.7	112.1
478	T	32.9	Very low	32.2	Very low	124 Å²	124	132.8 Å²	132.8	76%	0.761	73%	0.734	S	S	*	*			cis	-124.7	-110.3	-1.3	-36.7	0	0	0	0	111.3
479	T	34.2	Very low	32.5	Very low	125 Å²	125	133.9 Å²	133.9	77%	0.767	74%	0.74	S	S	*	*			cis	-157.3	144	-3	-44	0	0	0	0	110.9
480	T	30.7	Very low	33	Very low	120 Å²	120	129.8 Å²	129.8	74%	0.736	73%	0.727	S	S	*	*			trans	-60.8	132.5	177.2	-42.9	0	0	0	0	111.8
481	S	31.9	Very low	33.7	Very low	105 Å²	105	130 Å²	130	73%	0.734	72%	0.716	S	S	*	*				-165.2	138.5	81.6	-65.2	0	0	0	0	115.2
482	Q	34	Very low	34.6	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	70%	0.701	S	S	*	*			trans	-3.9	107.6	163.1	-54.7	177	10.8	0	0	118.6
483	I	35.8	Very low	35.7	Very low	168 Å²	168	126.3 Å²	126.3	86%	0.862	68%	0.684	S	S	*	*			trans	-152.8	147.9	146.5	-95.1	132.4	0	0	0	109.4	K485	I483-K485 PolarHBondContact O-N 3.35Å
484	K	31.4	Very low	37	Very low	203 Å²	203	124.7 Å²	124.7	88%	0.883	67%	0.673	S	S	*	*			trans	-39.4	121.4	-171.2	-64.2	167.1	-178.7	173.3	0	114.8	K486	K484-K486 PolarHBondContact O-N 3.41Å
485	K	32.6	Very low	38.6	Very low	212 Å²	212	118.8 Å²	118.8	92%	0.922	64%	0.635	S	S	*	*			trans	-58.1	114.4	-177.4	-65.3	-179.9	178.7	178.9	0	112.7	I483	I483-K485 PolarHBondContact O-N 3.35Å
486	K	31.1	Very low	40.1	Very low	168 Å²	168	116 Å²	116	73%	0.73	61%	0.614	S	S	*	*			trans	-72.7	148.3	147.4	-84.9	-178.7	173.6	178.2	0	108.4	K484 T488	K484-K486 PolarHBondContact O-N 3.41Å; K486-T488 PolarHBondContact O-N 3.18Å
487	P	32.3	Very low	41.5	Very low	102 Å²	102	112.8 Å²	112.8	66%	0.662	59%	0.589	S	S	*	*			trans	-70.6	114.3	-178	27.9	-33.5	0	0	0	111.2
488	T	33	Very low	42.7	Very low	120 Å²	120	102.1 Å²	102.1	74%	0.736	55%	0.551	S	S	*	*			trans	-66.8	144.8	161.7	25.3	0	0	0	0	110	K486 G490	K486-T488 PolarHBondContact O-N 3.18Å; T488-G490 VanDerWaalsContact C-N 3.25Å; T488-G490 PolarHBondContact O-N 2.94Å
489	V	34.3	Very low	43.7	Very low	145 Å²	145	97.1 Å²	97.1	88%	0.879	52%	0.523	S	S	*	.			trans	-73.5	82.8	174.7	-176.3	0	0	0	0	108.6	R491	V489-R491 PolarHBondContact O-N 3.44Å
490	G	39.8	Very low	44.6	Very low	30 Å²	30	93.3 Å²	93.3	31%	0.309	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-66.8	121.7	178.7	0	0	0	0	0	111	R340 T488 L492	R340-G490 PolarHBondContact NH1-O 2.89Å; T488-G490 VanDerWaalsContact C-N 3.25Å; T488-G490 PolarHBondContact O-N 2.94Å; G490-L492 PolarHBondContact O-N 2.89Å
491	R	45	Very low	45.3	Very low	95 Å²	95	90.3 Å²	90.3	36%	0.358	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-58.8	129.4	169.3	176	-178.5	-90.1	-173.2	-14.8	108.3	P470 V489 F493	P470-R491 PolarHBondContact O-NH2 2.95Å; V489-R491 PolarHBondContact O-N 3.44Å; R491-F493 HydrophobicContact CB-CE2 4.34Å; R491-F493 HydrophobicContact CB-CZ 4.29Å; R491-F493 VanDerWaalsContact CD-CZ 3.4Å; R491-F493 HydrophobicContact CG-CE1 4.08Å; R491-F493 HydrophobicContact CG-CE2 4.05Å; R491-F493 HydrophobicContact CG-CZ 3.67Å; R491-F493 WeakPolarHBondContact O-CE2 3.45Å
492	L	50.2	Low	46	Very low	59 Å²	59	85.5 Å²	85.5	31%	0.309	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-91.9	146	179	-56.9	-176.7	0	0	0	110.1	G490 A502	G490-L492 PolarHBondContact O-N 2.89Å; L492-A502 HydrophobicContact CB-CB 4.46Å; L492-A502 HydrophobicContact CD1-CB 3.91Å; L492-A502 HydrophobicContact CD2-CB 3.59Å; L492-A502 HydrophobicContact CG-CB 4.17Å
493	F	55.8	Low	47.3	Very low	40 Å²	40	77.5 Å²	77.5	18%	0.175	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-119.4	144.4	173.5	-58	-82.6	0	0	0	109.1	R491 L503 S505 L506 R509	R491-F493 HydrophobicContact CB-CE2 4.34Å; R491-F493 HydrophobicContact CB-CZ 4.29Å; R491-F493 VanDerWaalsContact CD-CZ 3.4Å; R491-F493 HydrophobicContact CG-CE1 4.08Å; R491-F493 HydrophobicContact CG-CE2 4.05Å; R491-F493 HydrophobicContact CG-CZ 3.67Å; R491-F493 WeakPolarHBondContact O-CE2 3.45Å; F493-L503 HydrophobicContact CB-CB 4.45Å; F493-L503 PolarHBondContact N-O 3.49Å; F493-L503 WeakPolarHBondContact O-CB 3.44Å; F493-L503 PolarHBondContact O-N 2.83Å; F493-S505 VanDerWaalsContact CD2-CA 3.45Å; F493-L506 HydrophobicContact CD1-CD2 3.34Å; F493-L506 HydrophobicContact CD1-CG 3.64Å; F493-L506 HydrophobicContact CE1-CD1 4.21Å; F493-L506 HydrophobicContact CE1-CD2 3.6Å; F493-L506 HydrophobicContact CE1-CG 3.47Å; F493-L506 VanDerWaalsContact CE1-CG 3.47Å; F493-L506 HydrophobicContact CG-CD2 4.09Å; F493-L506 HydrophobicContact CG-CG 4.23Å; F493-L506 HydrophobicContact CZ-CG 3.93Å; F493-R509 HydrophobicContact CB-CB 4.06Å
494	V	57.2	Low	48.4	Very low	31 Å²	31	73.2 Å²	73.2	19%	0.188	39%	0.393	C	S	.	.			trans	-122	130.9	-171.3	-171.2	0	0	0	0	108.3	L467 D500 N501 R509	L467-V494 HydrophobicContact CD1-CB 4.41Å; V494-D500 WeakPolarHBondContact CA-O 3.06Å; V494-N501 WeakPolarHBondContact CG1-OD1 3.01Å; V494-N501 WeakPolarHBondContact CG2-OD1 3.5Å; V494-R509 WeakPolarHBondContact O-CD 3.38Å
495	C	66.7	Low	50.2	Low	1 Å²	1	65.1 Å²	65.1	1%	0.007	36%	0.362	C	S	.	.			trans	-71.7	133.1	170.3	170.8	0	0	0	0	110	L497 C498 G499 L503 H512 H517	C495-L497 VanDerWaalsContact C-N 3.26Å; C495-L497 PolarHBondContact O-N 3.05Å; C495-L497 PolarHBondContact SG-N 3.12Å; C495-L497 VanDerWaalsContact SG-N 3.41Å; C495-C498 WeakPolarHBondContact CB-SG 3.18Å; C495-C498 PolarHBondContact SG-SG 2.91Å; C495-G499 WeakPolarHBondContact O-CA 3.48Å; C495-G499 PolarHBondContact O-N 2.84Å; C495-L503 HydrophobicContact CB-CD1 4.05Å; C495-H512 PolarHBondContact SG-CD2 3Å; C495-H512 PolarHBondContact SG-NE2 2.68Å; C495-H512 VanDerWaalsContact SG-NE2 3.43Å; C495-H517 VanDerWaalsContact SG-CD2 3.57Å; C495-H517 PolarHBondContact SG-NE2 2.72Å
496	P	62.8	Low	52	Low	59 Å²	59	58.9 Å²	58.9	38%	0.383	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33	178.1	-26.4	36.7	0	0	0	114.4	V522 F523	P496-V522 HydrophobicContact CB-CB 4.43Å; P496-V522 HydrophobicContact CB-CG2 4.21Å; P496-V522 HydrophobicContact CG-CG2 3.93Å; P496-F523 HydrophobicContact CG-CE1 4.18Å; P496-F523 HydrophobicContact CG-CZ 3.8Å
497	L	64	Low	54.3	Low	34 Å²	34	58.5 Å²	58.5	18%	0.178	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-50.9	-168.3	-65.8	171.7	0	0	0	114.7	R323 C495 L513 H517 E520 V522 L573	R323-L497 PolarHBondContact NH1-O 3.49Å; R323-L497 PolarHBondContact NH2-O 3.46Å; C495-L497 VanDerWaalsContact C-N 3.26Å; C495-L497 PolarHBondContact O-N 3.05Å; C495-L497 PolarHBondContact SG-N 3.12Å; C495-L497 VanDerWaalsContact SG-N 3.41Å; L497-L513 HydrophobicContact CD1-CD1 3.89Å; L497-L513 HydrophobicContact CG-CD1 4.43Å; L497-H517 WeakPolarHBondContact CB-CE1 3.25Å; L497-H517 HydrophobicContact CD1-CB 3.62Å; L497-H517 VanDerWaalsContact CD1-CG 3.49Å; L497-E520 HydrophobicContact CD1-CB 3.77Å; L497-E520 HydrophobicContact CD1-CG 4.49Å; L497-E520 WeakPolarHBondContact CD1-OE2 3.5Å; L497-V522 HydrophobicContact CD1-CG1 3.36Å; L497-V522 HydrophobicContact CD2-CG1 3.74Å; L497-V522 HydrophobicContact CG-CG1 3.53Å; L497-L573 HydrophobicContact CD2-CD2 3.53Å
498	C	60.1	Low	56.3	Low	15 Å²	15	56.9 Å²	56.9	10%	0.101	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-12.1	173.2	68.1	0	0	0	0	113.1	R323 C495 D500 H512 H517	R323-C498 VanDerWaalsContact CZ-CA 3.47Å; R323-C498 PolarHBondContact NE-O 2.95Å; R323-C498 PolarHBondContact NH2-O 2.87Å; C495-C498 WeakPolarHBondContact CB-SG 3.18Å; C495-C498 PolarHBondContact SG-SG 2.91Å; C498-D500 PolarHBondContact O-N 3.28Å; C498-D500 VanDerWaalsContact SG-CB 3.51Å; C498-D500 PolarHBondContact SG-N 2.76Å; C498-D500 PolarHBondContact SG-OD2 3.32Å; C498-H512 WeakPolarHBondContact CB-NE2 3.33Å; C498-H512 PolarHBondContact SG-CE1 3.49Å; C498-H512 PolarHBondContact SG-NE2 2.81Å; C498-H517 WeakPolarHBondContact CB-NE2 3.48Å; C498-H517 PolarHBondContact N-CE1 3.12Å; C498-H517 PolarHBondContact N-NE2 3.44Å
499	G	54.8	Low	58.3	Low	18 Å²	18	52.4 Å²	52.4	19%	0.186	29%	0.285	C	S	.	.			trans	59	25.1	-175.7	0	0	0	0	0	113.8	C495 N501	C495-G499 WeakPolarHBondContact O-CA 3.48Å; C495-G499 PolarHBondContact O-N 2.84Å; G499-N501 PolarHBondContact O-N 3.03Å; G499-N501 PolarHBondContact O-ND2 2.89Å
500	D	52	Low	60.5	Low	46 Å²	46	46.5 Å²	46.5	25%	0.246	25%	0.249	C	C	.	.			trans	-66	105.5	-180	-81.2	-41	0	0	0	109.7	V494 C498 A502 L503 H512	V494-D500 WeakPolarHBondContact CA-O 3.06Å; C498-D500 PolarHBondContact O-N 3.28Å; C498-D500 VanDerWaalsContact SG-CB 3.51Å; C498-D500 PolarHBondContact SG-N 2.76Å; C498-D500 PolarHBondContact SG-OD2 3.32Å; D500-A502 VanDerWaalsContact C-N 3.34Å; D500-A502 PolarHBondContact O-N 3.25Å; D500-L503 HydrophobicContact CB-CD1 4.23Å; D500-L503 WeakPolarHBondContact O-CD1 3.35Å; D500-H512 IonicContact OD2-CE1 3.8Å; D500-H512 PolarHBondContact OD2-CE1 3.17Å; D500-H512 IonicContact OD2-ND1 2.95Å
501	N	47.1	Very low	62.5	Low	56 Å²	56	48.6 Å²	48.6	30%	0.299	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	1.9	-152.7	-89.3	-65.6	0	0	0	114.9	P331 S333 V494 G499	P331-N501 HydrophobicContact CB-CB 4.03Å; S333-N501 WeakPolarHBondContact CB-O 3.37Å; S333-N501 WeakPolarHBondContact OG-CB 3.46Å; V494-N501 WeakPolarHBondContact CG1-OD1 3.01Å; V494-N501 WeakPolarHBondContact CG2-OD1 3.5Å; G499-N501 PolarHBondContact O-N 3.03Å; G499-N501 PolarHBondContact O-ND2 2.89Å
502	A	45.4	Very low	64.1	Low	5 Å²	5	45.7 Å²	45.7	4%	0.041	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.8	67.8	173.6	0	0	0	0	0	112.9	T336 L492 D500	T336-A502 WeakPolarHBondContact OG1-CB 3.36Å; L492-A502 HydrophobicContact CB-CB 4.46Å; L492-A502 HydrophobicContact CD1-CB 3.91Å; L492-A502 HydrophobicContact CD2-CB 3.59Å; L492-A502 HydrophobicContact CG-CB 4.17Å; D500-A502 VanDerWaalsContact C-N 3.34Å; D500-A502 PolarHBondContact O-N 3.25Å
503	L	62.5	Low	65.3	Low	20 Å²	20	42.9 Å²	42.9	11%	0.105	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-75.2	125	155.1	-60.4	137.8	0	0	0	105.1	F493 C495 D500 S505 E508 R509 H512	F493-L503 HydrophobicContact CB-CB 4.45Å; F493-L503 PolarHBondContact N-O 3.49Å; F493-L503 WeakPolarHBondContact O-CB 3.44Å; F493-L503 PolarHBondContact O-N 2.83Å; C495-L503 HydrophobicContact CB-CD1 4.05Å; D500-L503 HydrophobicContact CB-CD1 4.23Å; D500-L503 WeakPolarHBondContact O-CD1 3.35Å; L503-S505 PolarHBondContact O-N 2.88Å; L503-E508 HydrophobicContact CB-CB 3.99Å; L503-E508 HydrophobicContact CD2-CB 4.1Å; L503-R509 HydrophobicContact CB-CB 4.07Å; L503-R509 HydrophobicContact CD1-CB 4.02Å; L503-R509 HydrophobicContact CD1-CG 4.01Å; L503-H512 HydrophobicContact CD1-CB 4.37Å; L503-H512 HydrophobicContact CD2-CB 3.71Å
504	S	59	Low	66.5	Low	79 Å²	79	45.8 Å²	45.8	55%	0.552	24%	0.24	S	C	*	.	S	Bend	trans	-75.1	-15	-165.6	104.7	0	0	0	0	113.2	E508	S504-E508 WeakPolarHBondContact CA-OE2 2.94Å; S504-E508 WeakPolarHBondContact CB-OE1 3.38Å; S504-E508 VanDerWaalsContact CB-OE2 3.22Å; S504-E508 WeakPolarHBondContact CB-OE2 3.19Å; S504-E508 PolarHBondContact N-OE2 3.34Å; S504-E508 PolarHBondContact OG-OE1 2.79Å; S504-E508 PolarHBondContact OG-OE2 2.91Å
505	S	68.7	Low	67.7	Low	33 Å²	33	48.2 Å²	48.2	23%	0.231	26%	0.259	C	S	.	.	S	Bend	trans	-141	162.8	178	63.6	0	0	0	0	111.1	F493 L503 R507 E508 R509	F493-S505 VanDerWaalsContact CD2-CA 3.45Å; L503-S505 PolarHBondContact O-N 2.88Å; S505-R507 PolarHBondContact O-N 2.84Å; S505-R507 PolarHBondContact OG-N 3.45Å; S505-E508 WeakPolarHBondContact CB-OE1 3.38Å; S505-E508 PolarHBondContact N-OE1 3.05Å; S505-E508 WeakPolarHBondContact OG-CG 3.44Å; S505-E508 PolarHBondContact OG-N 2.84Å; S505-E508 VanDerWaalsContact OG-N 3.07Å; S505-E508 PolarHBondContact OG-OE1 3.13Å; S505-R509 PolarHBondContact O-N 3.22Å
506	L	69.3	Low	68	Low	81 Å²	81	51.2 Å²	51.2	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-60.8	-29.6	167.1	-77.3	170.3	0	0	0	111.6	F493 R509 D510	F493-L506 HydrophobicContact CD1-CD2 3.34Å; F493-L506 HydrophobicContact CD1-CG 3.64Å; F493-L506 HydrophobicContact CE1-CD1 4.21Å; F493-L506 HydrophobicContact CE1-CD2 3.6Å; F493-L506 HydrophobicContact CE1-CG 3.47Å; F493-L506 VanDerWaalsContact CE1-CG 3.47Å; F493-L506 HydrophobicContact CG-CD2 4.09Å; F493-L506 HydrophobicContact CG-CG 4.23Å; F493-L506 HydrophobicContact CZ-CG 3.93Å; L506-R509 PolarHBondContact O-N 3.09Å; L506-D510 WeakPolarHBondContact O-CB 2.95Å; L506-D510 VanDerWaalsContact O-CG 3.24Å; L506-D510 PolarHBondContact O-N 3.34Å
507	R	79.9	Confident	68.5	Low	160 Å²	160	49.6 Å²	49.6	60%	0.604	27%	0.267	S	S	*	.	H	α-helix	trans	-63.4	-55	179.2	-179.2	176.7	176.8	-168.4	-7.1	110.1	S505 R509 D510 E511	S505-R507 PolarHBondContact O-N 2.84Å; S505-R507 PolarHBondContact OG-N 3.45Å; R507-R509 PolarHBondContact O-N 3.29Å; R507-D510 PolarHBondContact O-N 3.38Å; R507-E511 HydrophobicContact CG-CG 4.4Å; R507-E511 WeakPolarHBondContact CG-OE1 3.4Å; R507-E511 WeakPolarHBondContact CG-OE2 3.47Å; R507-E511 IonicContact CZ-OE1 2.66Å; R507-E511 IonicContact NE-OE1 2.85Å; R507-E511 PolarHBondContact NE-OE1 2.91Å; R507-E511 IonicContact NE-OE2 2.83Å; R507-E511 IonicContact NH2-OE1 3.03Å; R507-E511 PolarHBondContact NH2-OE1 2.99Å; R507-E511 WeakPolarHBondContact O-CB 3.4Å; R507-E511 WeakPolarHBondContact O-CG 3.46Å; R507-E511 PolarHBondContact O-N 2.65Å
508	E	74.9	Confident	68.9	Low	68 Å²	68	54.7 Å²	54.7	32%	0.318	29%	0.294	S	S	.	.	H	α-helix	trans	-55.3	-39.2	174.4	-73.4	153.6	-102.6	0	0	112.1	L503 S504 S505 H512	L503-E508 HydrophobicContact CB-CB 3.99Å; L503-E508 HydrophobicContact CD2-CB 4.1Å; S504-E508 WeakPolarHBondContact CA-OE2 2.94Å; S504-E508 WeakPolarHBondContact CB-OE1 3.38Å; S504-E508 VanDerWaalsContact CB-OE2 3.22Å; S504-E508 WeakPolarHBondContact CB-OE2 3.19Å; S504-E508 PolarHBondContact N-OE2 3.34Å; S504-E508 PolarHBondContact OG-OE1 2.79Å; S504-E508 PolarHBondContact OG-OE2 2.91Å; S505-E508 WeakPolarHBondContact CB-OE1 3.38Å; S505-E508 PolarHBondContact N-OE1 3.05Å; S505-E508 WeakPolarHBondContact OG-CG 3.44Å; S505-E508 PolarHBondContact OG-N 2.84Å; S505-E508 VanDerWaalsContact OG-N 3.07Å; S505-E508 PolarHBondContact OG-OE1 3.13Å; E508-H512 WeakPolarHBondContact O-CB 3.34Å; E508-H512 PolarHBondContact O-N 3.15Å
509	R	74.5	Confident	69.2	Low	26 Å²	26	55.2 Å²	55.2	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-40.6	176.9	-173.8	-150	62.4	178.6	-5.1	112.5	F493 V494 L503 S505 L506 R507 L513	F493-R509 HydrophobicContact CB-CB 4.06Å; V494-R509 WeakPolarHBondContact O-CD 3.38Å; L503-R509 HydrophobicContact CB-CB 4.07Å; L503-R509 HydrophobicContact CD1-CB 4.02Å; L503-R509 HydrophobicContact CD1-CG 4.01Å; S505-R509 PolarHBondContact O-N 3.22Å; L506-R509 PolarHBondContact O-N 3.09Å; R507-R509 PolarHBondContact O-N 3.29Å; R509-L513 WeakPolarHBondContact O-CB 3.42Å; R509-L513 PolarHBondContact O-N 3.33Å
510	D	79.9	Confident	70.1	Confident	21 Å²	21	57.7 Å²	57.7	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-73.8	-39.6	-178.5	-71	1.6	0	0	0	110.2	L506 R507 L513 Q514 L534	L506-D510 WeakPolarHBondContact O-CB 2.95Å; L506-D510 VanDerWaalsContact O-CG 3.24Å; L506-D510 PolarHBondContact O-N 3.34Å; R507-D510 PolarHBondContact O-N 3.38Å; D510-L513 PolarHBondContact O-N 3.3Å; D510-Q514 WeakPolarHBondContact O-CG 3.19Å; D510-Q514 PolarHBondContact O-N 3.35Å; D510-Q514 PolarHBondContact O-OE1 3.42Å; D510-L534 HydrophobicContact CB-CD1 4.07Å; D510-L534 HydrophobicContact CB-CD2 3.57Å; D510-L534 HydrophobicContact CB-CG 4.39Å
511	E	82.4	Confident	71.5	Confident	73 Å²	73	58.4 Å²	58.4	34%	0.341	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-43	171.2	-71.2	164.1	161.4	0	0	112.2	R507 Q514 S515	R507-E511 HydrophobicContact CG-CG 4.4Å; R507-E511 WeakPolarHBondContact CG-OE1 3.4Å; R507-E511 WeakPolarHBondContact CG-OE2 3.47Å; R507-E511 IonicContact CZ-OE1 2.66Å; R507-E511 IonicContact NE-OE1 2.85Å; R507-E511 PolarHBondContact NE-OE1 2.91Å; R507-E511 IonicContact NE-OE2 2.83Å; R507-E511 IonicContact NH2-OE1 3.03Å; R507-E511 PolarHBondContact NH2-OE1 2.99Å; R507-E511 WeakPolarHBondContact O-CB 3.4Å; R507-E511 WeakPolarHBondContact O-CG 3.46Å; R507-E511 PolarHBondContact O-N 2.65Å; E511-Q514 PolarHBondContact O-N 3.32Å; E511-S515 VanDerWaalsContact O-CB 3.31Å; E511-S515 WeakPolarHBondContact O-CB 3.16Å; E511-S515 PolarHBondContact O-N 3.18Å; E511-S515 PolarHBondContact O-OG 2.72Å
512	H	77.8	Confident	72.8	Confident	34 Å²	34	56.4 Å²	56.4	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-47.8	170.5	174.1	95.6	0	0	0	111.5	C495 C498 D500 L503 E508 Q514 S515 S516 H517	C495-H512 PolarHBondContact SG-CD2 3Å; C495-H512 PolarHBondContact SG-NE2 2.68Å; C495-H512 VanDerWaalsContact SG-NE2 3.43Å; C498-H512 WeakPolarHBondContact CB-NE2 3.33Å; C498-H512 PolarHBondContact SG-CE1 3.49Å; C498-H512 PolarHBondContact SG-NE2 2.81Å; D500-H512 IonicContact OD2-CE1 3.8Å; D500-H512 PolarHBondContact OD2-CE1 3.17Å; D500-H512 IonicContact OD2-ND1 2.95Å; L503-H512 HydrophobicContact CD1-CB 4.37Å; L503-H512 HydrophobicContact CD2-CB 3.71Å; E508-H512 WeakPolarHBondContact O-CB 3.34Å; E508-H512 PolarHBondContact O-N 3.15Å; H512-Q514 VanDerWaalsContact C-N 3.25Å; H512-Q514 PolarHBondContact O-N 2.76Å; H512-S515 WeakPolarHBondContact CA-OG 3.31Å; H512-S515 PolarHBondContact O-N 2.94Å; H512-S515 PolarHBondContact O-OG 2.91Å; H512-S516 PolarHBondContact CE1-OG 3.38Å; H512-S516 WeakPolarHBondContact O-CB 3.36Å; H512-S516 PolarHBondContact O-N 3.28Å; H512-H517 AromaticContact CD2-CD2 3.73Å; H512-H517 AromaticContact CD2-NE2 3.93Å; H512-H517 AromaticContact NE2-CD2 2.63Å; H512-H517 PolarHBondContact NE2-CD2 2.63Å; H512-H517 AromaticContact NE2-CE1 3.39Å; H512-H517 PolarHBondContact NE2-CE1 3.08Å; H512-H517 AromaticContact NE2-CG 3.88Å; H512-H517 AromaticContact NE2-NE2 2.18Å; H512-H517 PolarHBondContact NE2-NE2 2.86Å
513	L	77.1	Confident	74.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-70.8	-23.5	-174.8	-172.2	54.6	0	0	0	112.4	L497 R509 D510 H517 V522 F523 P533 L534	L497-L513 HydrophobicContact CD1-CD1 3.89Å; L497-L513 HydrophobicContact CG-CD1 4.43Å; R509-L513 WeakPolarHBondContact O-CB 3.42Å; R509-L513 PolarHBondContact O-N 3.33Å; D510-L513 PolarHBondContact O-N 3.3Å; L513-H517 HydrophobicContact CD1-CB 4.19Å; L513-V522 HydrophobicContact CD1-CG1 4.32Å; L513-V522 HydrophobicContact CD1-CG2 4.3Å; L513-V522 HydrophobicContact CD2-CG2 3.89Å; L513-F523 HydrophobicContact CD2-CE2 3.64Å; L513-F523 HydrophobicContact CD2-CZ 4.25Å; L513-P533 WeakPolarHBondContact CD2-O 3.34Å; L513-P533 WeakPolarHBondContact CG-O 3.48Å; L513-L534 HydrophobicContact CB-CD2 4.3Å; L513-L534 HydrophobicContact CD2-CD2 4.27Å; L513-L534 HydrophobicContact CG-CD2 4.43Å
514	Q	81.2	Confident	75.4	Confident	102 Å²	102	57.6 Å²	57.6	48%	0.477	31%	0.308	S	S	.	.	H	α-helix	trans	-78.2	-48.2	168.1	-69	173.3	-80.4	0	0	112	D510 E511 H512 N518 G519 L534	D510-Q514 WeakPolarHBondContact O-CG 3.19Å; D510-Q514 PolarHBondContact O-N 3.35Å; D510-Q514 PolarHBondContact O-OE1 3.42Å; E511-Q514 PolarHBondContact O-N 3.32Å; H512-Q514 VanDerWaalsContact C-N 3.25Å; H512-Q514 PolarHBondContact O-N 2.76Å; Q514-N518 WeakPolarHBondContact O-CA 3.3Å; Q514-N518 PolarHBondContact O-N 3.28Å; Q514-G519 PolarHBondContact O-N 3.09Å; Q514-L534 HydrophobicContact CG-CD1 4.43Å; Q514-L534 HydrophobicContact CG-CD2 4.17Å
515	S	81.6	Confident	76.8	Confident	82 Å²	82	53.9 Å²	53.9	57%	0.573	28%	0.281	S	S	*	.	H	α-helix	trans	-80.7	-39.6	-171.4	55.8	0	0	0	0	115.3	E511 H512	E511-S515 VanDerWaalsContact O-CB 3.31Å; E511-S515 WeakPolarHBondContact O-CB 3.16Å; E511-S515 PolarHBondContact O-N 3.18Å; E511-S515 PolarHBondContact O-OG 2.72Å; H512-S515 WeakPolarHBondContact CA-OG 3.31Å; H512-S515 PolarHBondContact O-N 2.94Å; H512-S515 PolarHBondContact O-OG 2.91Å
516	S	73.4	Confident	77.7	Confident	63 Å²	63	53.1 Å²	53.1	44%	0.441	27%	0.274	S	S	.	.	S	Bend	trans	-98.2	-8.1	-173	-59.3	0	0	0	0	113.8	H512	H512-S516 PolarHBondContact CE1-OG 3.38Å; H512-S516 WeakPolarHBondContact O-CB 3.36Å; H512-S516 PolarHBondContact O-N 3.28Å
517	H	72.2	Confident	78.6	Confident	25 Å²	25	52.1 Å²	52.1	12%	0.116	27%	0.269	C	S	.	.	S	Bend	trans	-134.3	20.2	-180	-62.2	-70.7	0	0	0	112.5	C495 L497 C498 H512 L513 G519 E520	C495-H517 VanDerWaalsContact SG-CD2 3.57Å; C495-H517 PolarHBondContact SG-NE2 2.72Å; L497-H517 WeakPolarHBondContact CB-CE1 3.25Å; L497-H517 HydrophobicContact CD1-CB 3.62Å; L497-H517 VanDerWaalsContact CD1-CG 3.49Å; C498-H517 WeakPolarHBondContact CB-NE2 3.48Å; C498-H517 PolarHBondContact N-CE1 3.12Å; C498-H517 PolarHBondContact N-NE2 3.44Å; H512-H517 AromaticContact CD2-CD2 3.73Å; H512-H517 AromaticContact CD2-NE2 3.93Å; H512-H517 AromaticContact NE2-CD2 2.63Å; H512-H517 PolarHBondContact NE2-CD2 2.63Å; H512-H517 AromaticContact NE2-CE1 3.39Å; H512-H517 PolarHBondContact NE2-CE1 3.08Å; H512-H517 AromaticContact NE2-CG 3.88Å; H512-H517 AromaticContact NE2-NE2 2.18Å; H512-H517 PolarHBondContact NE2-NE2 2.86Å; L513-H517 HydrophobicContact CD1-CB 4.19Å; H517-G519 PolarHBondContact O-N 2.89Å; H517-E520 HydrophobicContact CB-CB 4.37Å; H517-E520 WeakPolarHBondContact O-CB 3.34Å; H517-E520 VanDerWaalsContact O-CG 3.24Å; H517-E520 WeakPolarHBondContact O-CG 3.32Å; H517-E520 PolarHBondContact O-N 2.87Å
518	N	73.8	Confident	79.1	Confident	142 Å²	142	45.1 Å²	45.1	76%	0.759	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	21.9	172.1	-57.5	-16.2	0	0	0	116	Q514	Q514-N518 WeakPolarHBondContact O-CA 3.3Å; Q514-N518 PolarHBondContact O-N 3.28Å
519	G	64.8	Low	79.7	Confident	25 Å²	25	41.9 Å²	41.9	26%	0.258	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	29.9	-172.6	0	0	0	0	0	115.2	Q514 H517	Q514-G519 PolarHBondContact O-N 3.09Å; H517-G519 PolarHBondContact O-N 2.89Å
520	E	74	Confident	80.4	Confident	70 Å²	70	41.7 Å²	41.7	33%	0.327	23%	0.229	S	C	.	.			trans	-48.7	139.9	168.7	-84.2	169.1	-139.8	0	0	111.9	L497 H517 V522 P533 L573	L497-E520 HydrophobicContact CD1-CB 3.77Å; L497-E520 HydrophobicContact CD1-CG 4.49Å; L497-E520 WeakPolarHBondContact CD1-OE2 3.5Å; H517-E520 HydrophobicContact CB-CB 4.37Å; H517-E520 WeakPolarHBondContact O-CB 3.34Å; H517-E520 VanDerWaalsContact O-CG 3.24Å; H517-E520 WeakPolarHBondContact O-CG 3.32Å; H517-E520 PolarHBondContact O-N 2.87Å; E520-V522 HydrophobicContact CB-CG1 4.34Å; E520-V522 PolarHBondContact O-N 3.07Å; E520-P533 WeakPolarHBondContact O-CA 3.1Å; E520-L573 HydrophobicContact CB-CD1 4Å; E520-L573 HydrophobicContact CG-CD1 3.85Å; E520-L573 VanDerWaalsContact OE2-CD2 3.27Å; E520-L573 WeakPolarHBondContact OE2-CD2 3.45Å
521	L	81.4	Confident	80.6	Confident	62 Å²	62	40.8 Å²	40.8	33%	0.325	23%	0.225	S	C	.	.			trans	-90.9	79.7	-167.1	-57.9	-178.4	0	0	0	112.1	A531 Y532 P533 V574 V589	L521-A531 HydrophobicContact CB-CB 3.72Å; L521-A531 WeakPolarHBondContact O-CB 3.33Å; L521-Y532 CarbonylContact C-O 3.04Å; L521-P533 HydrophobicContact CD2-CB 4.42Å; L521-P533 HydrophobicContact CD2-CG 4.41Å; L521-V574 WeakPolarHBondContact O-CG1 3.37Å; L521-V589 HydrophobicContact CD1-CG1 4.24Å
522	V	75.5	Confident	80.7	Confident	14 Å²	14	39.2 Å²	39.2	9%	0.085	22%	0.216	C	C	.	.			trans	-94.4	-9.6	-167.7	-48.6	0	0	0	0	116.1	P496 L497 L513 E520 P524 Y532	P496-V522 HydrophobicContact CB-CB 4.43Å; P496-V522 HydrophobicContact CB-CG2 4.21Å; P496-V522 HydrophobicContact CG-CG2 3.93Å; L497-V522 HydrophobicContact CD1-CG1 3.36Å; L497-V522 HydrophobicContact CD2-CG1 3.74Å; L497-V522 HydrophobicContact CG-CG1 3.53Å; L513-V522 HydrophobicContact CD1-CG1 4.32Å; L513-V522 HydrophobicContact CD1-CG2 4.3Å; L513-V522 HydrophobicContact CD2-CG2 3.89Å; E520-V522 HydrophobicContact CB-CG1 4.34Å; E520-V522 PolarHBondContact O-N 3.07Å; V522-P524 VanDerWaalsContact O-CD 3.25Å; V522-P524 WeakPolarHBondContact O-CD 3.28Å; V522-Y532 PolarHBondContact N-O 3.43Å; V522-Y532 VanDerWaalsContact N-O 3.14Å
523	F	79.6	Confident	80.7	Confident	30 Å²	30	39 Å²	39	13%	0.132	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	92	-178.5	-64.4	-70.6	0	0	0	110	P496 L513 A531 Y532 P533 Y535 L538	P496-F523 HydrophobicContact CG-CE1 4.18Å; P496-F523 HydrophobicContact CG-CZ 3.8Å; L513-F523 HydrophobicContact CD2-CE2 3.64Å; L513-F523 HydrophobicContact CD2-CZ 4.25Å; F523-A531 WeakPolarHBondContact O-CA 3.31Å; F523-Y532 WeakPolarHBondContact CB-O 3.07Å; F523-Y532 PolarHBondContact N-O 3.35Å; F523-Y532 PolarHBondContact O-N 3.45Å; F523-P533 WeakPolarHBondContact CD2-O 3.38Å; F523-P533 WeakPolarHBondContact CE2-O 3.36Å; F523-Y535 HydrophobicContact CD1-CD2 4.24Å; F523-Y535 VanDerWaalsContact CD2-N 3.25Å; F523-Y535 HydrophobicContact CE1-CD2 4.34Å; F523-L538 HydrophobicContact CB-CB 4.04Å; F523-L538 HydrophobicContact CB-CD2 3.97Å
524	P	83.1	Confident	80.8	Confident	20 Å²	20	40 Å²	40	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	148.3	179.4	29.5	-32.5	0	0	0	112.1	V522 V574 F576	V522-P524 VanDerWaalsContact O-CD 3.25Å; V522-P524 WeakPolarHBondContact O-CD 3.28Å; P524-V574 HydrophobicContact CB-CB 4.05Å; P524-V574 HydrophobicContact CB-CG1 4Å; P524-V574 HydrophobicContact CG-CB 4.1Å; P524-V574 HydrophobicContact CG-CG1 4.05Å; P524-F576 HydrophobicContact CB-CD1 4.2Å; P524-F576 HydrophobicContact CB-CE1 3.45Å; P524-F576 VanDerWaalsContact CB-CE1 3.45Å; P524-F576 HydrophobicContact CB-CZ 3.75Å
525	C	88.5	Confident	80.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.209	C	C	.	.			trans	-92	115.6	160.7	175.4	0	0	0	0	109.8	I527 C528 G529 M530 L538 H541 V553	C525-I527 PolarHBondContact O-N 3.19Å; C525-I527 VanDerWaalsContact O-N 3.14Å; C525-I527 PolarHBondContact SG-N 3.37Å; C525-I527 VanDerWaalsContact SG-N 3.42Å; C525-C528 PolarHBondContact O-N 3.23Å; C525-G529 PolarHBondContact O-N 3.37Å; C525-M530 WeakPolarHBondContact CB-O 3.42Å; C525-M530 PolarHBondContact N-O 3.16Å; C525-L538 HydrophobicContact CB-CD1 3.87Å; C525-H541 WeakPolarHBondContact CB-NE2 3.3Å; C525-H541 PolarHBondContact SG-NE2 3.44Å; C525-V553 WeakPolarHBondContact CA-O 3.32Å; C525-V553 HydrophobicContact CB-CG1 4.16Å
526	Q	86.8	Confident	80.5	Confident	17 Å²	17	37.3 Å²	37.3	8%	0.079	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	2.9	179.8	-59.2	-65.1	-7.7	0	0	114.1	V553 G556 A575 F576 V581	Q526-V553 PolarHBondContact N-O 3.25Å; Q526-G556 VanDerWaalsContact CB-CA 3.43Å; Q526-A575 PolarHBondContact NE2-O 3.18Å; Q526-F576 VanDerWaalsContact OE1-CA 3.23Å; Q526-V581 WeakPolarHBondContact O-CG2 3.34Å
527	I	87.6	Confident	80.9	Confident	60 Å²	60	35.7 Å²	35.7	31%	0.308	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-32.2	175.6	-52.9	178.4	0	0	0	111.8	C525 H546 T552 V553	C525-I527 PolarHBondContact O-N 3.19Å; C525-I527 VanDerWaalsContact O-N 3.14Å; C525-I527 PolarHBondContact SG-N 3.37Å; C525-I527 VanDerWaalsContact SG-N 3.42Å; I527-H546 HydrophobicContact CD1-CB 4.14Å; I527-H546 VanDerWaalsContact CG2-CE1 3.46Å; I527-H546 WeakPolarHBondContact CG2-CE1 3.32Å; I527-T552 HydrophobicContact CD1-CG2 3.75Å; I527-T552 HydrophobicContact CG1-CG2 3.91Å; I527-V553 HydrophobicContact CD1-CG2 3.62Å; I527-V553 HydrophobicContact CG1-CG2 4.28Å
528	C	90.8	Very high	81.4	Confident	13 Å²	13	34.8 Å²	34.8	9%	0.088	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	0.5	-170.5	78.1	0	0	0	0	116	C525 M530 H541 R588	C525-C528 PolarHBondContact O-N 3.23Å; C528-M530 PolarHBondContact O-N 3.08Å; C528-M530 VanDerWaalsContact O-N 3.1Å; C528-M530 VanDerWaalsContact SG-CG 3.52Å; C528-H541 PolarHBondContact SG-CE1 3.35Å; C528-H541 PolarHBondContact SG-NE2 3.02Å; C528-R588 PolarHBondContact O-NH1 2.85Å
529	G	86.9	Confident	81.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.			trans	73.7	-4.6	176.4	0	0	0	0	0	114.8	C525 H585	C525-G529 PolarHBondContact O-N 3.37Å; G529-H585 WeakPolarHBondContact O-CA 3.5Å; G529-H585 VanDerWaalsContact O-CB 3.28Å; G529-H585 WeakPolarHBondContact O-CB 3.45Å; G529-H585 PolarHBondContact O-ND1 2.69Å
530	M	90.4	Very high	82.8	Confident	22 Å²	22	37.5 Å²	37.5	11%	0.108	18%	0.18	C	C	.	.			trans	-69.3	133.4	173.2	-63	-57.1	-54	0	0	109.7	C525 C528 Y532 R588 H663	C525-M530 WeakPolarHBondContact CB-O 3.42Å; C525-M530 PolarHBondContact N-O 3.16Å; C528-M530 PolarHBondContact O-N 3.08Å; C528-M530 VanDerWaalsContact O-N 3.1Å; C528-M530 VanDerWaalsContact SG-CG 3.52Å; M530-Y532 HydrophobicContact CB-CE2 3.87Å; M530-R588 HydrophobicContact SD-CB 3.9Å; M530-R588 HydrophobicContact SD-CG 4.49Å; M530-H663 VanDerWaalsContact CE-CE1 3.5Å; M530-H663 WeakPolarHBondContact CE-CE1 3.34Å; M530-H663 WeakPolarHBondContact CE-NE2 3.49Å
531	A	84.4	Confident	83.2	Confident	3 Å²	3	35 Å²	35	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	150	176.4	0	0	0	0	0	110.8	L521 F523 V574	L521-A531 HydrophobicContact CB-CB 3.72Å; L521-A531 WeakPolarHBondContact O-CB 3.33Å; F523-A531 WeakPolarHBondContact O-CA 3.31Å; A531-V574 HydrophobicContact CB-CG1 4.03Å
532	Y	83.2	Confident	83.4	Confident	40 Å²	40	32 Å²	32	16%	0.157	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.2	-171.4	-67	-84.7	0	0	0	111.4	L521 V522 F523 M530 A537 L538 H541	L521-Y532 CarbonylContact C-O 3.04Å; V522-Y532 PolarHBondContact N-O 3.43Å; V522-Y532 VanDerWaalsContact N-O 3.14Å; F523-Y532 WeakPolarHBondContact CB-O 3.07Å; F523-Y532 PolarHBondContact N-O 3.35Å; F523-Y532 PolarHBondContact O-N 3.45Å; M530-Y532 HydrophobicContact CB-CE2 3.87Å; Y532-A537 HydrophobicContact CD1-CB 3.84Å; Y532-A537 HydrophobicContact CG-CB 4.23Å; Y532-L538 HydrophobicContact CD2-CB 4.26Å; Y532-L538 HydrophobicContact CD2-CD1 3.83Å; Y532-L538 HydrophobicContact CE2-CD1 4.28Å; Y532-H541 HydrophobicContact CE1-CB 4.28Å; Y532-H541 HydrophobicContact CE2-CB 3.75Å; Y532-H541 AromaticContact CE2-CD2 3.66Å; Y532-H541 AromaticContact CE2-CG 3.59Å; Y532-H541 AromaticContact CZ-CG 3.64Å; Y532-H541 VanDerWaalsContact OH-CG 3.31Å; Y532-H541 PolarHBondContact OH-ND1 3.35Å
533	P	77.7	Confident	83.9	Confident	29 Å²	29	33.6 Å²	33.6	19%	0.188	17%	0.167	C	C	.	.	S	Bend	trans	-74.7	-30.4	179.7	29.8	-33.5	0	0	0	112.4	L513 E520 L521 F523	L513-P533 WeakPolarHBondContact CD2-O 3.34Å; L513-P533 WeakPolarHBondContact CG-O 3.48Å; E520-P533 WeakPolarHBondContact O-CA 3.1Å; L521-P533 HydrophobicContact CD2-CB 4.42Å; L521-P533 HydrophobicContact CD2-CG 4.41Å; F523-P533 WeakPolarHBondContact CD2-O 3.38Å; F523-P533 WeakPolarHBondContact CE2-O 3.36Å
534	L	79.4	Confident	84.2	Confident	22 Å²	22	37.8 Å²	37.8	12%	0.115	19%	0.19	C	C	.	.	S	Bend	trans	-121.5	142.9	-176.9	-59.6	-175.3	0	0	0	112.3	D510 L513 Q514 I536 A537 L538	D510-L534 HydrophobicContact CB-CD1 4.07Å; D510-L534 HydrophobicContact CB-CD2 3.57Å; D510-L534 HydrophobicContact CB-CG 4.39Å; L513-L534 HydrophobicContact CB-CD2 4.3Å; L513-L534 HydrophobicContact CD2-CD2 4.27Å; L513-L534 HydrophobicContact CG-CD2 4.43Å; Q514-L534 HydrophobicContact CG-CD1 4.43Å; Q514-L534 HydrophobicContact CG-CD2 4.17Å; L534-I536 HydrophobicContact CB-CG2 3.95Å; L534-I536 HydrophobicContact CD1-CG2 4.28Å; L534-I536 PolarHBondContact O-N 3.11Å; L534-A537 HydrophobicContact CB-CB 4.48Å; L534-A537 WeakPolarHBondContact O-CA 3.4Å; L534-A537 WeakPolarHBondContact O-CB 2.98Å; L534-A537 PolarHBondContact O-N 3.24Å; L534-L538 PolarHBondContact O-N 3.08Å
535	Y	78.1	Confident	84.1	Confident	45 Å²	45	40.4 Å²	40.4	18%	0.176	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-31.9	177.5	-179.6	-113.8	0	0	0	112.6	F523 A537 L538 R539	F523-Y535 HydrophobicContact CD1-CD2 4.24Å; F523-Y535 VanDerWaalsContact CD2-N 3.25Å; F523-Y535 HydrophobicContact CE1-CD2 4.34Å; Y535-A537 VanDerWaalsContact C-N 3.3Å; Y535-A537 PolarHBondContact O-N 3.18Å; Y535-L538 PolarHBondContact O-N 3.47Å; Y535-R539 HydrophobicContact CE1-CG 4.11Å; Y535-R539 HydrophobicContact CE2-CG 4.44Å; Y535-R539 VanDerWaalsContact CZ-NE 3.31Å; Y535-R539 PolarHBondContact O-N 2.94Å; Y535-R539 PolarHBondContact OH-NE 3.3Å; Y535-R539 PolarHBondContact OH-NH2 2.93Å
536	I	79.7	Confident	83.9	Confident	82 Å²	82	42 Å²	42	42%	0.421	21%	0.208	S	C	.	.	H	α-helix	trans	-67.8	-30	174.8	-172	58.6	0	0	0	112.4	L534 R540	L534-I536 HydrophobicContact CB-CG2 3.95Å; L534-I536 HydrophobicContact CD1-CG2 4.28Å; L534-I536 PolarHBondContact O-N 3.11Å; I536-R540 WeakPolarHBondContact O-CG 3.48Å; I536-R540 PolarHBondContact O-N 3.39Å
537	A	81.8	Confident	83.7	Confident	29 Å²	29	48.8 Å²	48.8	24%	0.24	25%	0.245	C	C	.	.	H	α-helix	trans	-73.7	-41.9	174.4	0	0	0	0	0	111.4	Y532 L534 Y535 R539 R540 H541	Y532-A537 HydrophobicContact CD1-CB 3.84Å; Y532-A537 HydrophobicContact CG-CB 4.23Å; L534-A537 HydrophobicContact CB-CB 4.48Å; L534-A537 WeakPolarHBondContact O-CA 3.4Å; L534-A537 WeakPolarHBondContact O-CB 2.98Å; L534-A537 PolarHBondContact O-N 3.24Å; Y535-A537 VanDerWaalsContact C-N 3.3Å; Y535-A537 PolarHBondContact O-N 3.18Å; A537-R539 VanDerWaalsContact C-N 3.32Å; A537-R539 PolarHBondContact O-N 2.9Å; A537-R540 PolarHBondContact O-N 3.14Å; A537-H541 WeakPolarHBondContact O-CB 3.37Å; A537-H541 PolarHBondContact O-N 3.04Å
538	L	82.9	Confident	83.2	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-59.3	-42	171.2	-178.1	67.6	0	0	0	111.6	F523 C525 Y532 L534 Y535 H541 A542 V553	F523-L538 HydrophobicContact CB-CB 4.04Å; F523-L538 HydrophobicContact CB-CD2 3.97Å; C525-L538 HydrophobicContact CB-CD1 3.87Å; Y532-L538 HydrophobicContact CD2-CB 4.26Å; Y532-L538 HydrophobicContact CD2-CD1 3.83Å; Y532-L538 HydrophobicContact CE2-CD1 4.28Å; L534-L538 PolarHBondContact O-N 3.08Å; Y535-L538 PolarHBondContact O-N 3.47Å; L538-H541 WeakPolarHBondContact O-CB 3.25Å; L538-H541 PolarHBondContact O-N 3.33Å; L538-A542 PolarHBondContact O-N 2.98Å; L538-V553 HydrophobicContact CD1-CG1 3.64Å; L538-V553 HydrophobicContact CD2-CG1 4.47Å; L538-V553 HydrophobicContact CG-CG1 4Å
539	R	82.4	Confident	82.7	Confident	103 Å²	103	51.4 Å²	51.4	39%	0.389	26%	0.263	S	S	.	.	H	α-helix	trans	-63.1	-43.6	174.2	-82.4	-167.8	169.3	-154.2	-5.5	113.1	Y535 A537 H541 A542 A543 F550	Y535-R539 HydrophobicContact CE1-CG 4.11Å; Y535-R539 HydrophobicContact CE2-CG 4.44Å; Y535-R539 VanDerWaalsContact CZ-NE 3.31Å; Y535-R539 PolarHBondContact O-N 2.94Å; Y535-R539 PolarHBondContact OH-NE 3.3Å; Y535-R539 PolarHBondContact OH-NH2 2.93Å; A537-R539 VanDerWaalsContact C-N 3.32Å; A537-R539 PolarHBondContact O-N 2.9Å; R539-H541 VanDerWaalsContact C-N 3.3Å; R539-H541 PolarHBondContact O-N 3.37Å; R539-A542 PolarHBondContact O-N 3.48Å; R539-A543 PolarHBondContact O-N 3.16Å; R539-F550 HydrophobicContact CB-CD1 4.4Å; R539-F550 HydrophobicContact CB-CE1 4.07Å; R539-F550 HydrophobicContact CG-CD1 3.99Å; R539-F550 HydrophobicContact CG-CE1 4.06Å; R539-F550 WeakPolarHBondContact O-CE1 3.46Å
540	R	83.9	Confident	82.2	Confident	121 Å²	121	54.9 Å²	54.9	46%	0.457	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-41.7	174.6	-79.5	177.8	171.8	169.5	0.3	111.2	I536 A537 A543 L544 Q753	I536-R540 WeakPolarHBondContact O-CG 3.48Å; I536-R540 PolarHBondContact O-N 3.39Å; A537-R540 PolarHBondContact O-N 3.14Å; R540-A543 PolarHBondContact O-N 2.97Å; R540-L544 VanDerWaalsContact O-CB 3.32Å; R540-L544 WeakPolarHBondContact O-CB 3.44Å; R540-L544 VanDerWaalsContact O-CG 3.22Å; R540-L544 WeakPolarHBondContact O-CG 3.43Å; R540-L544 PolarHBondContact O-N 3.42Å; R540-Q753 VanDerWaalsContact NH2-NE2 3.17Å
541	H	83.7	Confident	81.4	Confident	16 Å²	16	58.9 Å²	58.9	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-47.2	174.2	166.3	65.2	0	0	0	112.4	C525 C528 Y532 A537 L538 R539 A543 L544 Q545 H546	C525-H541 WeakPolarHBondContact CB-NE2 3.3Å; C525-H541 PolarHBondContact SG-NE2 3.44Å; C528-H541 PolarHBondContact SG-CE1 3.35Å; C528-H541 PolarHBondContact SG-NE2 3.02Å; Y532-H541 HydrophobicContact CE1-CB 4.28Å; Y532-H541 HydrophobicContact CE2-CB 3.75Å; Y532-H541 AromaticContact CE2-CD2 3.66Å; Y532-H541 AromaticContact CE2-CG 3.59Å; Y532-H541 AromaticContact CZ-CG 3.64Å; Y532-H541 VanDerWaalsContact OH-CG 3.31Å; Y532-H541 PolarHBondContact OH-ND1 3.35Å; A537-H541 WeakPolarHBondContact O-CB 3.37Å; A537-H541 PolarHBondContact O-N 3.04Å; L538-H541 WeakPolarHBondContact O-CB 3.25Å; L538-H541 PolarHBondContact O-N 3.33Å; R539-H541 VanDerWaalsContact C-N 3.3Å; R539-H541 PolarHBondContact O-N 3.37Å; H541-A543 VanDerWaalsContact C-N 3.34Å; H541-A543 PolarHBondContact O-N 3.49Å; H541-L544 PolarHBondContact O-N 3.31Å; H541-L544 VanDerWaalsContact O-N 3.16Å; H541-Q545 WeakPolarHBondContact O-CB 3.48Å; H541-Q545 PolarHBondContact O-N 2.9Å; H541-H546 AromaticContact CE1-CD2 3.72Å; H541-H546 AromaticContact CE1-NE2 3.43Å; H541-H546 PolarHBondContact CE1-NE2 2.82Å; H541-H546 AromaticContact NE2-CD2 3.35Å; H541-H546 PolarHBondContact NE2-CD2 2.82Å; H541-H546 AromaticContact NE2-NE2 3.22Å; H541-H546 PolarHBondContact NE2-NE2 3.25Å
542	A	85	Confident	81.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-56.4	-46.3	175.3	0	0	0	0	0	112.4	L538 R539 L544 H546 D547 S548 F550 V553	L538-A542 PolarHBondContact O-N 2.98Å; R539-A542 PolarHBondContact O-N 3.48Å; A542-L544 VanDerWaalsContact C-N 3.29Å; A542-L544 PolarHBondContact O-N 3.24Å; A542-H546 CarbonylContact O-C 3.27Å; A542-H546 VanDerWaalsContact O-C 3.23Å; A542-H546 WeakPolarHBondContact O-CA 3.48Å; A542-H546 PolarHBondContact O-N 3.13Å; A542-D547 PolarHBondContact O-N 3.34Å; A542-S548 PolarHBondContact O-N 2.93Å; A542-S548 VanDerWaalsContact O-N 3.11Å; A542-F550 HydrophobicContact CB-CD1 3.66Å; A542-F550 HydrophobicContact CB-CE1 3.91Å; A542-V553 HydrophobicContact CB-CB 4.06Å; A542-V553 HydrophobicContact CB-CG1 3.98Å; A542-V553 HydrophobicContact CB-CG2 3.85Å
543	A	85.2	Confident	80.9	Confident	48 Å²	48	58.4 Å²	58.4	40%	0.397	30%	0.301	S	S	.	.	H	α-helix	trans	-69	-22.8	179.5	0	0	0	0	0	114.2	R539 R540 H541 F550	R539-A543 PolarHBondContact O-N 3.16Å; R540-A543 PolarHBondContact O-N 2.97Å; H541-A543 VanDerWaalsContact C-N 3.34Å; H541-A543 PolarHBondContact O-N 3.49Å; A543-F550 HydrophobicContact CB-CZ 4.5Å
544	L	85.8	Confident	80.7	Confident	117 Å²	117	61.4 Å²	61.4	61%	0.613	31%	0.309	S	S	*	.	H	α-helix	trans	-103.4	-16.2	-176.6	-68.9	172.4	0	0	0	114.5	R540 H541 A542	R540-L544 VanDerWaalsContact O-CB 3.32Å; R540-L544 WeakPolarHBondContact O-CB 3.44Å; R540-L544 VanDerWaalsContact O-CG 3.22Å; R540-L544 WeakPolarHBondContact O-CG 3.43Å; R540-L544 PolarHBondContact O-N 3.42Å; H541-L544 PolarHBondContact O-N 3.31Å; H541-L544 VanDerWaalsContact O-N 3.16Å; A542-L544 VanDerWaalsContact C-N 3.29Å; A542-L544 PolarHBondContact O-N 3.24Å
545	Q	82.7	Confident	80.5	Confident	75 Å²	75	64.9 Å²	64.9	35%	0.35	32%	0.321	S	S	.	.	H	α-helix	trans	-132.8	-14.1	-173	-60.6	-71.6	-93	0	0	114.3	H541	H541-Q545 WeakPolarHBondContact O-CB 3.48Å; H541-Q545 PolarHBondContact O-N 2.9Å
546	H	84.6	Confident	80.2	Confident	34 Å²	34	63 Å²	63	16%	0.157	32%	0.315	C	S	.	.	S	Bend	trans	-139.7	34.3	-172.4	-60.1	-58.1	0	0	0	111.9	I527 H541 A542 S548 D549 V553	I527-H546 HydrophobicContact CD1-CB 4.14Å; I527-H546 VanDerWaalsContact CG2-CE1 3.46Å; I527-H546 WeakPolarHBondContact CG2-CE1 3.32Å; H541-H546 AromaticContact CE1-CD2 3.72Å; H541-H546 AromaticContact CE1-NE2 3.43Å; H541-H546 PolarHBondContact CE1-NE2 2.82Å; H541-H546 AromaticContact NE2-CD2 3.35Å; H541-H546 PolarHBondContact NE2-CD2 2.82Å; H541-H546 AromaticContact NE2-NE2 3.22Å; H541-H546 PolarHBondContact NE2-NE2 3.25Å; A542-H546 CarbonylContact O-C 3.27Å; A542-H546 VanDerWaalsContact O-C 3.23Å; A542-H546 WeakPolarHBondContact O-CA 3.48Å; A542-H546 PolarHBondContact O-N 3.13Å; H546-S548 PolarHBondContact O-N 3.35Å; H546-D549 WeakPolarHBondContact O-CB 3.26Å; H546-D549 PolarHBondContact O-N 3.5Å; H546-V553 HydrophobicContact CB-CG2 3.61Å
547	D	82.4	Confident	80	Confident	160 Å²	160	61.3 Å²	61.3	86%	0.856	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	29.8	173.5	-57.8	-33.3	0	0	0	115.8	A542 D549	A542-D547 PolarHBondContact O-N 3.34Å; D547-D549 VanDerWaalsContact C-N 3.32Å
548	S	75.5	Confident	79.2	Confident	57 Å²	57	64 Å²	64	40%	0.399	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	22.8	-174.5	-51.6	0	0	0	0	115.8	A542 H546 F550	A542-S548 PolarHBondContact O-N 2.93Å; A542-S548 VanDerWaalsContact O-N 3.11Å; H546-S548 PolarHBondContact O-N 3.35Å; S548-F550 WeakPolarHBondContact O-CD2 3.16Å; S548-F550 WeakPolarHBondContact O-CE2 3.18Å; S548-F550 PolarHBondContact O-N 3.22Å
549	D	80.7	Confident	78.7	Confident	70 Å²	70	70.9 Å²	70.9	37%	0.374	36%	0.363	S	S	.	.			trans	-72	77.1	167.1	-170.1	-11.2	0	0	0	110.8	H546 D547 D551 T552 V553	H546-D549 WeakPolarHBondContact O-CB 3.26Å; H546-D549 PolarHBondContact O-N 3.5Å; D547-D549 VanDerWaalsContact C-N 3.32Å; D549-D551 PolarHBondContact O-N 3.3Å; D549-D551 PolarHBondContact OD1-N 3.32Å; D549-T552 VanDerWaalsContact CG-CB 3.41Å; D549-T552 WeakPolarHBondContact OD1-CB 3.4Å; D549-T552 PolarHBondContact OD1-N 2.9Å; D549-T552 PolarHBondContact OD1-OG1 3.2Å; D549-T552 VanDerWaalsContact OD1-OG1 3.12Å; D549-T552 WeakPolarHBondContact OD2-CB 3.49Å; D549-T552 PolarHBondContact OD2-OG1 2.69Å; D549-V553 VanDerWaalsContact O-CB 3.26Å; D549-V553 WeakPolarHBondContact O-CB 3.42Å; D549-V553 WeakPolarHBondContact O-CG2 3.42Å; D549-V553 PolarHBondContact O-N 2.85Å; D549-V553 VanDerWaalsContact O-N 3.08Å
550	F	76	Confident	77.9	Confident	73 Å²	73	68.3 Å²	68.3	32%	0.32	36%	0.357	S	S	.	.	H	α-helix	trans	-66.5	-25.7	-178.3	-61.1	-67.7	0	0	0	113.5	R539 A542 A543 S548 R554	R539-F550 HydrophobicContact CB-CD1 4.4Å; R539-F550 HydrophobicContact CB-CE1 4.07Å; R539-F550 HydrophobicContact CG-CD1 3.99Å; R539-F550 HydrophobicContact CG-CE1 4.06Å; R539-F550 WeakPolarHBondContact O-CE1 3.46Å; A542-F550 HydrophobicContact CB-CD1 3.66Å; A542-F550 HydrophobicContact CB-CE1 3.91Å; A543-F550 HydrophobicContact CB-CZ 4.5Å; S548-F550 WeakPolarHBondContact O-CD2 3.16Å; S548-F550 WeakPolarHBondContact O-CE2 3.18Å; S548-F550 PolarHBondContact O-N 3.22Å; F550-R554 WeakPolarHBondContact O-CB 3.22Å; F550-R554 PolarHBondContact O-N 3.24Å
551	D	74	Confident	76.9	Confident	106 Å²	106	66.5 Å²	66.5	57%	0.567	36%	0.356	S	S	*	.	H	α-helix	trans	-85.3	-45.7	-175.2	-71.1	-37.4	0	0	0	110.2	D549 V553 R554 Y555	D549-D551 PolarHBondContact O-N 3.3Å; D549-D551 PolarHBondContact OD1-N 3.32Å; D551-V553 VanDerWaalsContact C-N 3.33Å; D551-V553 PolarHBondContact O-N 2.9Å; D551-R554 PolarHBondContact O-N 3.26Å; D551-Y555 HydrophobicContact CB-CD2 4.2Å; D551-Y555 WeakPolarHBondContact O-CA 3.34Å; D551-Y555 WeakPolarHBondContact O-CB 3.28Å; D551-Y555 WeakPolarHBondContact O-CD2 3.14Å; D551-Y555 PolarHBondContact O-N 3.36Å; D551-Y555 WeakPolarHBondContact OD1-CE2 3.47Å
552	T	79.7	Confident	75.6	Confident	31 Å²	31	74 Å²	74	19%	0.19	39%	0.391	C	S	.	.	H	α-helix	trans	-65.8	-35.2	171.6	-50.8	0	0	0	0	111.7	I527 D549 R554 G556 P557	I527-T552 HydrophobicContact CD1-CG2 3.75Å; I527-T552 HydrophobicContact CG1-CG2 3.91Å; D549-T552 VanDerWaalsContact CG-CB 3.41Å; D549-T552 WeakPolarHBondContact OD1-CB 3.4Å; D549-T552 PolarHBondContact OD1-N 2.9Å; D549-T552 PolarHBondContact OD1-OG1 3.2Å; D549-T552 VanDerWaalsContact OD1-OG1 3.12Å; D549-T552 WeakPolarHBondContact OD2-CB 3.49Å; D549-T552 PolarHBondContact OD2-OG1 2.69Å; T552-R554 VanDerWaalsContact C-N 3.3Å; T552-R554 PolarHBondContact O-N 2.06Å; T552-G556 WeakPolarHBondContact O-CA 3.13Å; T552-G556 PolarHBondContact O-N 3.31Å; T552-P557 HydrophobicContact CG2-CG 4.46Å
553	V	78.3	Confident	74.7	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.012	41%	0.409	C	S	.	.	H	α-helix	trans	-63.7	-35.1	174.1	165	0	0	0	0	112.4	C525 Q526 I527 L538 A542 H546 D549 D551	C525-V553 WeakPolarHBondContact CA-O 3.32Å; C525-V553 HydrophobicContact CB-CG1 4.16Å; Q526-V553 PolarHBondContact N-O 3.25Å; I527-V553 HydrophobicContact CD1-CG2 3.62Å; I527-V553 HydrophobicContact CG1-CG2 4.28Å; L538-V553 HydrophobicContact CD1-CG1 3.64Å; L538-V553 HydrophobicContact CD2-CG1 4.47Å; L538-V553 HydrophobicContact CG-CG1 4Å; A542-V553 HydrophobicContact CB-CB 4.06Å; A542-V553 HydrophobicContact CB-CG1 3.98Å; A542-V553 HydrophobicContact CB-CG2 3.85Å; H546-V553 HydrophobicContact CB-CG2 3.61Å; D549-V553 VanDerWaalsContact O-CB 3.26Å; D549-V553 WeakPolarHBondContact O-CB 3.42Å; D549-V553 WeakPolarHBondContact O-CG2 3.42Å; D549-V553 PolarHBondContact O-N 2.85Å; D549-V553 VanDerWaalsContact O-N 3.08Å; D551-V553 VanDerWaalsContact C-N 3.33Å; D551-V553 PolarHBondContact O-N 2.9Å
554	R	73.7	Confident	73.6	Confident	93 Å²	93	80.1 Å²	80.1	35%	0.351	42%	0.417	S	S	.	.	H	α-helix	trans	-92.6	-40	-174.5	-177.6	178.7	178.7	-170.6	-4	113.7	F550 D551 T552	F550-R554 WeakPolarHBondContact O-CB 3.22Å; F550-R554 PolarHBondContact O-N 3.24Å; D551-R554 PolarHBondContact O-N 3.26Å; T552-R554 VanDerWaalsContact C-N 3.3Å; T552-R554 PolarHBondContact O-N 2.06Å
555	Y	73.8	Confident	73.1	Confident	95 Å²	95	76 Å²	76	37%	0.373	40%	0.397	S	S	.	.	H	α-helix	trans	-119	7.4	-170.9	-48.5	-70.4	0	0	0	113.1	D551 L561 Q577	D551-Y555 HydrophobicContact CB-CD2 4.2Å; D551-Y555 WeakPolarHBondContact O-CA 3.34Å; D551-Y555 WeakPolarHBondContact O-CB 3.28Å; D551-Y555 WeakPolarHBondContact O-CD2 3.14Å; D551-Y555 PolarHBondContact O-N 3.36Å; D551-Y555 WeakPolarHBondContact OD1-CE2 3.47Å; Y555-L561 WeakPolarHBondContact O-CD2 3.24Å; Y555-Q577 PolarHBondContact O-NE2 2.94Å; Y555-Q577 PolarHBondContact O-OE1 3.4Å
556	G	72.9	Confident	73	Confident	4 Å²	4	75.6 Å²	75.6	4%	0.041	40%	0.397	C	S	.	.			trans	72.5	178.9	176.8	0	0	0	0	0	114.4	Q526 T552	Q526-G556 VanDerWaalsContact CB-CA 3.43Å; T552-G556 WeakPolarHBondContact O-CA 3.13Å; T552-G556 PolarHBondContact O-N 3.31Å
557	P	74	Confident	72.7	Confident	47 Å²	47	76.1 Å²	76.1	31%	0.305	40%	0.4	S	S	.	.			trans	-59.2	136.6	175.2	-21.4	33.5	0	0	0	110.7	T552 D559 L560	T552-P557 HydrophobicContact CG2-CG 4.46Å; P557-D559 PolarHBondContact O-N 3.05Å; P557-L560 HydrophobicContact CG-CD1 4.36Å; P557-L560 PolarHBondContact O-N 2.74Å
558	S	67	Low	72.5	Confident	86 Å²	86	68.5 Å²	68.5	60%	0.601	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-50.8	-34.7	-178.2	-57.1	0	0	0	0	113.7	L560 L561	S558-L560 PolarHBondContact O-N 3.22Å; S558-L561 WeakPolarHBondContact O-CB 3.12Å; S558-L561 PolarHBondContact O-N 3.36Å
559	D	72.5	Confident	72.8	Confident	150 Å²	150	69.3 Å²	69.3	80%	0.802	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-70.1	-11.7	-178.7	-49.1	-37.1	0	0	0	113.7	P557	P557-D559 PolarHBondContact O-N 3.05Å
560	L	65.6	Low	72.6	Confident	50 Å²	50	70.1 Å²	70.1	26%	0.262	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-114	2.7	179.1	-59	-179.8	0	0	0	113.4	P557 S558 E562 C563 Q577 D578	P557-L560 HydrophobicContact CG-CD1 4.36Å; P557-L560 PolarHBondContact O-N 2.74Å; S558-L560 PolarHBondContact O-N 3.22Å; L560-E562 PolarHBondContact O-N 3.07Å; L560-E562 VanDerWaalsContact O-N 3.17Å; L560-C563 WeakPolarHBondContact O-CB 3.42Å; L560-C563 PolarHBondContact O-N 2.65Å; L560-C563 VanDerWaalsContact O-N 3.08Å; L560-Q577 HydrophobicContact CB-CB 4.13Å; L560-D578 HydrophobicContact CD1-CB 3.91Å
561	L	61.1	Low	72.7	Confident	83 Å²	83	68.3 Å²	68.3	44%	0.435	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.2	175.3	-73.8	169.8	0	0	0	113.5	Y555 S558	Y555-L561 WeakPolarHBondContact O-CD2 3.24Å; S558-L561 WeakPolarHBondContact O-CB 3.12Å; S558-L561 PolarHBondContact O-N 3.36Å
562	E	57.3	Low	72.9	Confident	173 Å²	173	67.8 Å²	67.8	81%	0.808	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.3	179.2	-59.6	-169.7	169.7	0	0	113.2	N235 L560	N235-E562 PolarHBondContact ND2-O 3.46Å; L560-E562 PolarHBondContact O-N 3.07Å; L560-E562 VanDerWaalsContact O-N 3.17Å
563	C	65.4	Low	72.5	Confident	57 Å²	57	69 Å²	69	39%	0.385	36%	0.359	S	S	.	.	S	Bend	trans	-80	148.9	-179.2	-64.3	0	0	0	0	113.1	L560 P565	L560-C563 WeakPolarHBondContact O-CB 3.42Å; L560-C563 PolarHBondContact O-N 2.65Å; L560-C563 VanDerWaalsContact O-N 3.08Å; C563-P565 WeakPolarHBondContact O-CD 3.2Å
564	E	62.9	Low	72.4	Confident	119 Å²	119	69.2 Å²	69.2	56%	0.556	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-63.2	124	169.3	173.9	159.9	-154.6	0	0	110.3	I234 F462 I566	I234-E564 HydrophobicContact CD1-CB 3.92Å; I234-E564 VanDerWaalsContact CD1-CD 3.47Å; I234-E564 HydrophobicContact CD1-CG 3.45Å; I234-E564 VanDerWaalsContact CD1-CG 3.45Å; I234-E564 WeakPolarHBondContact CD1-OE1 3.48Å; F462-E564 HydrophobicContact CZ-CG 4.45Å; E564-I566 PolarHBondContact O-N 2.91Å
565	P	74.5	Confident	72.6	Confident	31 Å²	31	66.1 Å²	66.1	20%	0.201	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-62.6	123.5	178.2	-23.7	34.7	0	0	0	111.6	F462 C563 E567 A575	F462-P565 WeakPolarHBondContact CZ-O 3.21Å; C563-P565 WeakPolarHBondContact O-CD 3.2Å; P565-E567 PolarHBondContact O-N 2.78Å; P565-A575 HydrophobicContact CB-CB 3.64Å
566	I	80	Confident	72.9	Confident	67 Å²	67	61.6 Å²	61.6	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	102.9	-178.4	-43.3	173	0	0	0	108.8	E564 A575 F576 L582	E564-I566 PolarHBondContact O-N 2.91Å; I566-A575 CarbonylContact O-C 3.39Å; I566-A575 VanDerWaalsContact O-CA 3.31Å; I566-A575 WeakPolarHBondContact O-CA 3.43Å; I566-F576 WeakPolarHBondContact CA-O 3.22Å; I566-F576 WeakPolarHBondContact CB-O 3.44Å; I566-F576 WeakPolarHBondContact CG1-O 3.22Å; I566-F576 PolarHBondContact N-O 3.13Å; I566-F576 PolarHBondContact O-N 3.42Å; I566-L582 HydrophobicContact CB-CD2 4.14Å; I566-L582 HydrophobicContact CG2-CD2 3.5Å; I566-L582 VanDerWaalsContact CG2-CD2 3.5Å
567	E	79.3	Confident	73.3	Confident	45 Å²	45	62.6 Å²	62.6	21%	0.21	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	146.2	171.8	-71.7	-176.4	174.6	0	0	111.4	F462 P565 P569 A575	F462-E567 VanDerWaalsContact CD2-CD 3.48Å; F462-E567 HydrophobicContact CD2-CG 4.13Å; F462-E567 WeakPolarHBondContact CD2-OE1 3.46Å; F462-E567 HydrophobicContact CE2-CB 4.49Å; F462-E567 HydrophobicContact CE2-CG 3.67Å; F462-E567 HydrophobicContact CZ-CG 4.15Å; P565-E567 PolarHBondContact O-N 2.78Å; E567-P569 WeakPolarHBondContact O-CD 3.34Å; E567-A575 HydrophobicContact CG-CB 4.12Å
568	C	79.1	Confident	73.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.337	C	S	.	.			trans	-77.6	119.1	175.7	177.7	0	0	0	0	111.5	E570 C571 H572 V574 L582 H585	C568-E570 PolarHBondContact O-N 2.6Å; C568-E570 VanDerWaalsContact O-N 3.07Å; C568-C571 PolarHBondContact O-N 3.09Å; C568-C571 VanDerWaalsContact SG-SG 3.68Å; C568-H572 WeakPolarHBondContact O-CA 3.41Å; C568-H572 PolarHBondContact O-N 3.1Å; C568-V574 HydrophobicContact CB-CG2 4.08Å; C568-V574 PolarHBondContact N-O 3.37Å; C568-L582 HydrophobicContact CB-CD1 3.74Å; C568-H585 PolarHBondContact SG-CD2 2.9Å; C568-H585 PolarHBondContact SG-NE2 3.29Å; C568-H585 VanDerWaalsContact SG-NE2 3.4Å
569	P	81.5	Confident	74.6	Confident	73 Å²	73	60.8 Å²	60.8	47%	0.474	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3.9	-174.6	33	-38.3	0	0	0	114.8	E567 I586	E567-P569 WeakPolarHBondContact O-CD 3.34Å; P569-I586 HydrophobicContact CG-CD1 4.49Å
570	E	75.4	Confident	75.2	Confident	87 Å²	87	58.8 Å²	58.8	41%	0.407	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-13.7	174	-71.8	-166.2	-115.9	0	0	114.2	C568 H590 Q594	C568-E570 PolarHBondContact O-N 2.6Å; C568-E570 VanDerWaalsContact O-N 3.07Å; E570-H590 WeakPolarHBondContact CB-CE1 3.44Å; E570-H590 WeakPolarHBondContact CB-ND1 3.08Å; E570-H590 PolarHBondContact O-CE1 2.9Å; E570-H590 WeakPolarHBondContact OE1-CB 3.45Å; E570-H590 IonicContact OE1-CG 3.6Å; E570-H590 WeakPolarHBondContact OE2-CB 3.46Å; E570-H590 IonicContact OE2-CG 2.94Å; E570-H590 IonicContact OE2-ND1 2.76Å; E570-H590 PolarHBondContact OE2-ND1 2.68Å; E570-Q594 PolarHBondContact OE2-NE2 3.03Å
571	C	78.6	Confident	76.3	Confident	36 Å²	36	56.8 Å²	56.8	24%	0.243	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-28.1	173.5	57.6	0	0	0	0	114.8	C568 L573 H590	C568-C571 PolarHBondContact O-N 3.09Å; C568-C571 VanDerWaalsContact SG-SG 3.68Å; C571-L573 HydrophobicContact CB-CB 4.39Å; C571-L573 HydrophobicContact CB-CD1 4.31Å; C571-L573 HydrophobicContact CB-CG 4.31Å; C571-L573 WeakPolarHBondContact O-CG 3.38Å; C571-L573 PolarHBondContact O-N 2.8Å; C571-H590 PolarHBondContact SG-NE2 3.07Å
572	H	77.6	Confident	77.5	Confident	95 Å²	95	53.5 Å²	53.5	44%	0.44	29%	0.287	S	S	.	.	S	Bend	trans	56.2	12.9	-174.5	-43.4	-85.1	0	0	0	114.8	E460 C568	E460-H572 IonicContact OE1-CE1 3.15Å; E460-H572 PolarHBondContact OE1-CE1 3.02Å; E460-H572 IonicContact OE1-ND1 3.77Å; C568-H572 WeakPolarHBondContact O-CA 3.41Å; C568-H572 PolarHBondContact O-N 3.1Å
573	L	71.7	Confident	78.9	Confident	56 Å²	56	50.8 Å²	50.8	29%	0.293	27%	0.273	S	S	.	.	S	Bend	trans	-92	-12.7	-180	-66.4	171.5	0	0	0	113.5	L497 E520 C571	L497-L573 HydrophobicContact CD2-CD2 3.53Å; E520-L573 HydrophobicContact CB-CD1 4Å; E520-L573 HydrophobicContact CG-CD1 3.85Å; E520-L573 VanDerWaalsContact OE2-CD2 3.27Å; E520-L573 WeakPolarHBondContact OE2-CD2 3.45Å; C571-L573 HydrophobicContact CB-CB 4.39Å; C571-L573 HydrophobicContact CB-CD1 4.31Å; C571-L573 HydrophobicContact CB-CG 4.31Å; C571-L573 WeakPolarHBondContact O-CG 3.38Å; C571-L573 PolarHBondContact O-N 2.8Å
574	V	76.1	Confident	79.9	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.042	27%	0.265	C	S	.	.			trans	-144.1	148.8	-177.2	-67.6	0	0	0	0	111.3	L521 P524 A531 C568 F576	L521-V574 WeakPolarHBondContact O-CG1 3.37Å; P524-V574 HydrophobicContact CB-CB 4.05Å; P524-V574 HydrophobicContact CB-CG1 4Å; P524-V574 HydrophobicContact CG-CB 4.1Å; P524-V574 HydrophobicContact CG-CG1 4.05Å; A531-V574 HydrophobicContact CB-CG1 4.03Å; C568-V574 HydrophobicContact CB-CG2 4.08Å; C568-V574 PolarHBondContact N-O 3.37Å; V574-F576 HydrophobicContact CB-CE2 4.18Å; V574-F576 HydrophobicContact CB-CZ 4.3Å; V574-F576 HydrophobicContact CG2-CE2 3.53Å; V574-F576 HydrophobicContact CG2-CZ 3.85Å
575	A	78.2	Confident	81	Confident	27 Å²	27	44.7 Å²	44.7	22%	0.223	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.5	173.3	0	0	0	0	0	111.2	Q526 P565 I566 E567	Q526-A575 PolarHBondContact NE2-O 3.18Å; P565-A575 HydrophobicContact CB-CB 3.64Å; I566-A575 CarbonylContact O-C 3.39Å; I566-A575 VanDerWaalsContact O-CA 3.31Å; I566-A575 WeakPolarHBondContact O-CA 3.43Å; E567-A575 HydrophobicContact CG-CB 4.12Å
576	F	80.8	Confident	81.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.7	-177.3	-59.6	-84.9	0	0	0	111.5	P524 Q526 I566 V574 D578 V581 L582 H585	P524-F576 HydrophobicContact CB-CD1 4.2Å; P524-F576 HydrophobicContact CB-CE1 3.45Å; P524-F576 VanDerWaalsContact CB-CE1 3.45Å; P524-F576 HydrophobicContact CB-CZ 3.75Å; Q526-F576 VanDerWaalsContact OE1-CA 3.23Å; I566-F576 WeakPolarHBondContact CA-O 3.22Å; I566-F576 WeakPolarHBondContact CB-O 3.44Å; I566-F576 WeakPolarHBondContact CG1-O 3.22Å; I566-F576 PolarHBondContact N-O 3.13Å; I566-F576 PolarHBondContact O-N 3.42Å; V574-F576 HydrophobicContact CB-CE2 4.18Å; V574-F576 HydrophobicContact CB-CZ 4.3Å; V574-F576 HydrophobicContact CG2-CE2 3.53Å; V574-F576 HydrophobicContact CG2-CZ 3.85Å; F576-D578 VanDerWaalsContact C-N 3.34Å; F576-V581 HydrophobicContact CD1-CB 4.38Å; F576-V581 HydrophobicContact CD1-CG1 3.56Å; F576-V581 HydrophobicContact CE1-CG1 4.04Å; F576-V581 HydrophobicContact CG-CG1 4.32Å; F576-L582 HydrophobicContact CB-CB 4.22Å; F576-L582 HydrophobicContact CD2-CB 4.04Å; F576-L582 HydrophobicContact CD2-CD1 3.85Å; F576-L582 HydrophobicContact CE2-CD1 4.19Å; F576-L582 HydrophobicContact CG-CB 4.4Å; F576-H585 HydrophobicContact CD2-CB 4.38Å; F576-H585 HydrophobicContact CE1-CB 4.36Å; F576-H585 HydrophobicContact CE2-CB 3.52Å; F576-H585 AromaticContact CE2-CD2 3.78Å; F576-H585 AromaticContact CE2-CG 3.4Å; F576-H585 VanDerWaalsContact CE2-CG 3.4Å; F576-H585 AromaticContact CE2-ND1 3.81Å; F576-H585 HydrophobicContact CZ-CB 3.52Å; F576-H585 AromaticContact CZ-CG 3.48Å; F576-H585 VanDerWaalsContact CZ-CG 3.48Å; F576-H585 AromaticContact CZ-ND1 3.51Å
577	Q	81.1	Confident	81.8	Confident	25 Å²	25	45.8 Å²	45.8	12%	0.117	24%	0.244	C	C	.	.	S	Bend	trans	-71.8	-29.3	176.7	-75.9	168	-1.7	0	0	113.2	Y555 L560	Y555-Q577 PolarHBondContact O-NE2 2.94Å; Y555-Q577 PolarHBondContact O-OE1 3.4Å; L560-Q577 HydrophobicContact CB-CB 4.13Å
578	D	82.3	Confident	81.9	Confident	44 Å²	44	44.5 Å²	44.5	24%	0.235	24%	0.237	C	C	.	.			trans	-106.4	126.6	179.9	-176.9	1.3	0	0	0	111.1	L560 F576 L580 V581 L582	L560-D578 HydrophobicContact CD1-CB 3.91Å; F576-D578 VanDerWaalsContact C-N 3.34Å; D578-L580 PolarHBondContact O-N 2.74Å; D578-L580 WeakPolarHBondContact OD1-CB 3.42Å; D578-L580 WeakPolarHBondContact OD1-CG 3.48Å; D578-L580 PolarHBondContact OD1-N 3.39Å; D578-L580 WeakPolarHBondContact OD2-CB 3.35Å; D578-V581 HydrophobicContact CB-CB 4.16Å; D578-V581 HydrophobicContact CB-CG2 3.81Å; D578-V581 PolarHBondContact O-N 3.42Å; D578-L582 PolarHBondContact O-N 3.31Å
579	S	86.1	Confident	82	Confident	52 Å²	52	45.7 Å²	45.7	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-58.9	-30.3	173.1	-174	0	0	0	0	112.8	K583	S579-K583 VanDerWaalsContact O-CG 3.26Å; S579-K583 WeakPolarHBondContact O-CG 3.41Å; S579-K583 PolarHBondContact O-N 3.24Å
580	L	85.6	Confident	82.1	Confident	108 Å²	108	42.7 Å²	42.7	57%	0.565	22%	0.224	S	C	*	.	H	α-helix	trans	-66.1	-42.2	172.9	-57.3	175.4	0	0	0	110.9	D578 K583 L584	D578-L580 PolarHBondContact O-N 2.74Å; D578-L580 WeakPolarHBondContact OD1-CB 3.42Å; D578-L580 WeakPolarHBondContact OD1-CG 3.48Å; D578-L580 PolarHBondContact OD1-N 3.39Å; D578-L580 WeakPolarHBondContact OD2-CB 3.35Å; L580-K583 WeakPolarHBondContact O-CB 3.34Å; L580-K583 PolarHBondContact O-N 3.18Å; L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 2.8Å
581	V	88.2	Confident	81.8	Confident	8 Å²	8	44.2 Å²	44.2	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-35.7	179.1	-177	0	0	0	0	111.2	Q526 F576 D578 L584 H585	Q526-V581 WeakPolarHBondContact O-CG2 3.34Å; F576-V581 HydrophobicContact CD1-CB 4.38Å; F576-V581 HydrophobicContact CD1-CG1 3.56Å; F576-V581 HydrophobicContact CE1-CG1 4.04Å; F576-V581 HydrophobicContact CG-CG1 4.32Å; D578-V581 HydrophobicContact CB-CB 4.16Å; D578-V581 HydrophobicContact CB-CG2 3.81Å; D578-V581 PolarHBondContact O-N 3.42Å; V581-L584 WeakPolarHBondContact O-CB 3.38Å; V581-L584 PolarHBondContact O-N 2.97Å; V581-H585 PolarHBondContact O-N 3.34Å
582	L	86.3	Confident	80.5	Confident	14 Å²	14	45.6 Å²	45.6	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-42.3	168	174.8	58.1	0	0	0	112.1	I566 C568 F576 D578 L584 H585 I586	I566-L582 HydrophobicContact CB-CD2 4.14Å; I566-L582 HydrophobicContact CG2-CD2 3.5Å; I566-L582 VanDerWaalsContact CG2-CD2 3.5Å; C568-L582 HydrophobicContact CB-CD1 3.74Å; F576-L582 HydrophobicContact CB-CB 4.22Å; F576-L582 HydrophobicContact CD2-CB 4.04Å; F576-L582 HydrophobicContact CD2-CD1 3.85Å; F576-L582 HydrophobicContact CE2-CD1 4.19Å; F576-L582 HydrophobicContact CG-CB 4.4Å; D578-L582 PolarHBondContact O-N 3.31Å; L582-L584 VanDerWaalsContact C-N 3.3Å; L582-L584 PolarHBondContact O-N 3.25Å; L582-H585 WeakPolarHBondContact O-CB 3.42Å; L582-H585 PolarHBondContact O-N 2.86Å; L582-H585 VanDerWaalsContact O-N 3.15Å; L582-I586 HydrophobicContact CD1-CD1 3.94Å; L582-I586 HydrophobicContact CD1-CG1 4.1Å; L582-I586 HydrophobicContact CG-CD1 3.99Å; L582-I586 WeakPolarHBondContact O-CG1 3.42Å; L582-I586 PolarHBondContact O-N 3.03Å
583	K	85.4	Confident	79	Confident	116 Å²	116	45.9 Å²	45.9	50%	0.504	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-36.2	174.1	-72.4	165.3	-172.8	173.1	0	112	S579 L580 N587	S579-K583 VanDerWaalsContact O-CG 3.26Å; S579-K583 WeakPolarHBondContact O-CG 3.41Å; S579-K583 PolarHBondContact O-N 3.24Å; L580-K583 WeakPolarHBondContact O-CB 3.34Å; L580-K583 PolarHBondContact O-N 3.18Å; K583-N587 WeakPolarHBondContact O-CB 3.41Å; K583-N587 PolarHBondContact O-N 3.21Å; K583-N587 VanDerWaalsContact O-N 3.1Å; K583-N587 PolarHBondContact O-ND2 3.19Å
584	L	88.4	Confident	77.6	Confident	44 Å²	44	49.5 Å²	49.5	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-43.3	171.8	-67	-179.6	0	0	0	111.4	L580 V581 L582 N587 R588	L580-L584 WeakPolarHBondContact O-CG 3.2Å; L580-L584 PolarHBondContact O-N 2.8Å; V581-L584 WeakPolarHBondContact O-CB 3.38Å; V581-L584 PolarHBondContact O-N 2.97Å; L582-L584 VanDerWaalsContact C-N 3.3Å; L582-L584 PolarHBondContact O-N 3.25Å; L584-N587 PolarHBondContact O-N 2.8Å; L584-R588 WeakPolarHBondContact O-CB 3.27Å; L584-R588 WeakPolarHBondContact O-CG 3.36Å; L584-R588 PolarHBondContact O-N 3.03Å
585	H	85.4	Confident	76	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-52.3	176.3	172.8	79.4	0	0	0	112.1	G529 C568 F576 V581 L582 N587 R588 V589 H590	G529-H585 WeakPolarHBondContact O-CA 3.5Å; G529-H585 VanDerWaalsContact O-CB 3.28Å; G529-H585 WeakPolarHBondContact O-CB 3.45Å; G529-H585 PolarHBondContact O-ND1 2.69Å; C568-H585 PolarHBondContact SG-CD2 2.9Å; C568-H585 PolarHBondContact SG-NE2 3.29Å; C568-H585 VanDerWaalsContact SG-NE2 3.4Å; F576-H585 HydrophobicContact CD2-CB 4.38Å; F576-H585 HydrophobicContact CE1-CB 4.36Å; F576-H585 HydrophobicContact CE2-CB 3.52Å; F576-H585 AromaticContact CE2-CD2 3.78Å; F576-H585 AromaticContact CE2-CG 3.4Å; F576-H585 VanDerWaalsContact CE2-CG 3.4Å; F576-H585 AromaticContact CE2-ND1 3.81Å; F576-H585 HydrophobicContact CZ-CB 3.52Å; F576-H585 AromaticContact CZ-CG 3.48Å; F576-H585 VanDerWaalsContact CZ-CG 3.48Å; F576-H585 AromaticContact CZ-ND1 3.51Å; V581-H585 PolarHBondContact O-N 3.34Å; L582-H585 WeakPolarHBondContact O-CB 3.42Å; L582-H585 PolarHBondContact O-N 2.86Å; L582-H585 VanDerWaalsContact O-N 3.15Å; H585-N587 VanDerWaalsContact C-N 3.35Å; H585-N587 PolarHBondContact O-N 2.99Å; H585-R588 PolarHBondContact O-N 3.42Å; H585-R588 VanDerWaalsContact O-N 3.11Å; H585-V589 WeakPolarHBondContact O-CB 3.43Å; H585-V589 PolarHBondContact O-N 2.86Å; H585-H590 AromaticContact CD2-CD2 3.98Å; H585-H590 AromaticContact NE2-CD2 3.59Å; H585-H590 AromaticContact NE2-NE2 3.46Å; H585-H590 PolarHBondContact NE2-NE2 3.39Å
586	I	86.9	Confident	74	Confident	44 Å²	44	60.7 Å²	60.7	23%	0.226	30%	0.302	C	S	.	.	I	π-helix	trans	-56.2	-48.2	177	-69.1	166.3	0	0	0	110.7	P569 L582 R588 H590 K591	P569-I586 HydrophobicContact CG-CD1 4.49Å; L582-I586 HydrophobicContact CD1-CD1 3.94Å; L582-I586 HydrophobicContact CD1-CG1 4.1Å; L582-I586 HydrophobicContact CG-CD1 3.99Å; L582-I586 WeakPolarHBondContact O-CG1 3.42Å; L582-I586 PolarHBondContact O-N 3.03Å; I586-R588 VanDerWaalsContact C-N 3.32Å; I586-R588 PolarHBondContact O-N 2.68Å; I586-H590 WeakPolarHBondContact O-CB 3.4Å; I586-H590 PolarHBondContact O-N 2.94Å; I586-K591 PolarHBondContact O-N 2.81Å; I586-K591 VanDerWaalsContact O-N 3.08Å
587	N	83.6	Confident	71.5	Confident	77 Å²	77	67.6 Å²	67.6	41%	0.412	34%	0.337	S	S	.	.	I	π-helix	trans	-68.1	-25.4	178.8	-79.8	-77.1	0	0	0	114.3	K583 L584 H585 K591	K583-N587 WeakPolarHBondContact O-CB 3.41Å; K583-N587 PolarHBondContact O-N 3.21Å; K583-N587 VanDerWaalsContact O-N 3.1Å; K583-N587 PolarHBondContact O-ND2 3.19Å; L584-N587 PolarHBondContact O-N 2.8Å; H585-N587 VanDerWaalsContact C-N 3.35Å; H585-N587 PolarHBondContact O-N 2.99Å; N587-K591 WeakPolarHBondContact O-CB 3.33Å; N587-K591 WeakPolarHBondContact OD1-CD 3.34Å; N587-K591 PolarHBondContact OD1-NZ 2.83Å
588	R	82.4	Confident	69.1	Low	19 Å²	19	72.5 Å²	72.5	7%	0.072	37%	0.369	C	S	.	.	I	π-helix	trans	-101.2	-27.4	-173.9	-68.1	174.3	-179.7	170.2	2.2	114.1	C528 M530 L584 H585 I586 K592 T919 D923	C528-R588 PolarHBondContact O-NH1 2.85Å; M530-R588 HydrophobicContact SD-CB 3.9Å; M530-R588 HydrophobicContact SD-CG 4.49Å; L584-R588 WeakPolarHBondContact O-CB 3.27Å; L584-R588 WeakPolarHBondContact O-CG 3.36Å; L584-R588 PolarHBondContact O-N 3.03Å; H585-R588 PolarHBondContact O-N 3.42Å; H585-R588 VanDerWaalsContact O-N 3.11Å; I586-R588 VanDerWaalsContact C-N 3.32Å; I586-R588 PolarHBondContact O-N 2.68Å; R588-K592 WeakPolarHBondContact O-CD 3.18Å; R588-K592 VanDerWaalsContact O-CE 3.3Å; R588-K592 WeakPolarHBondContact O-CE 3.44Å; R588-K592 PolarHBondContact O-NZ 2.83Å; R588-T919 HydrophobicContact CG-CG2 4.04Å; R588-T919 PolarHBondContact NE-O 3.12Å; R588-T919 VanDerWaalsContact NE-O 3.14Å; R588-T919 PolarHBondContact NH2-O 3.2Å; R588-D923 IonicContact CZ-OD2 3.72Å; R588-D923 IonicContact NH2-OD2 3.84Å; R588-D923 PolarHBondContact NH2-OD2 3.23Å
589	V	81.2	Confident	66.5	Low	24 Å²	24	76 Å²	76	15%	0.145	39%	0.394	C	S	.	.	I	π-helix	trans	-102	-62.1	178.9	179.7	0	0	0	0	109.8	L521 H585 K592	L521-V589 HydrophobicContact CD1-CG1 4.24Å; H585-V589 WeakPolarHBondContact O-CB 3.43Å; H585-V589 PolarHBondContact O-N 2.86Å; V589-K592 PolarHBondContact O-N 3.22Å
590	H	82.6	Confident	63.8	Low	11 Å²	11	80.7 Å²	80.7	5%	0.051	42%	0.421	C	S	.	.	I	π-helix	trans	-72.1	-43.3	-169.1	-74.3	-83.4	0	0	0	114	E570 C571 H585 I586 K592 L593 Q594	E570-H590 WeakPolarHBondContact CB-CE1 3.44Å; E570-H590 WeakPolarHBondContact CB-ND1 3.08Å; E570-H590 PolarHBondContact O-CE1 2.9Å; E570-H590 WeakPolarHBondContact OE1-CB 3.45Å; E570-H590 IonicContact OE1-CG 3.6Å; E570-H590 WeakPolarHBondContact OE2-CB 3.46Å; E570-H590 IonicContact OE2-CG 2.94Å; E570-H590 IonicContact OE2-ND1 2.76Å; E570-H590 PolarHBondContact OE2-ND1 2.68Å; C571-H590 PolarHBondContact SG-NE2 3.07Å; H585-H590 AromaticContact CD2-CD2 3.98Å; H585-H590 AromaticContact NE2-CD2 3.59Å; H585-H590 AromaticContact NE2-NE2 3.46Å; H585-H590 PolarHBondContact NE2-NE2 3.39Å; I586-H590 WeakPolarHBondContact O-CB 3.4Å; I586-H590 PolarHBondContact O-N 2.94Å; H590-K592 PolarHBondContact O-N 3.03Å; H590-L593 PolarHBondContact O-N 3.11Å; H590-Q594 PolarHBondContact O-N 3.41Å
591	K	69.3	Low	61.3	Low	118 Å²	118	80 Å²	80	51%	0.513	43%	0.425	S	S	.	.	H	α-helix	trans	-58.7	-17.9	177	-149.3	174.3	-163.2	169.7	0	114.4	I586 N587	I586-K591 PolarHBondContact O-N 2.81Å; I586-K591 VanDerWaalsContact O-N 3.08Å; N587-K591 WeakPolarHBondContact O-CB 3.33Å; N587-K591 WeakPolarHBondContact OD1-CD 3.34Å; N587-K591 PolarHBondContact OD1-NZ 2.83Å
592	K	51.9	Low	58.7	Low	65 Å²	65	87 Å²	87	28%	0.283	46%	0.462	S	S	.	.	H	α-helix	trans	-90.7	-21.8	174	-64.9	-178.6	-171.3	135	0	113.8	R588 V589 H590	R588-K592 WeakPolarHBondContact O-CD 3.18Å; R588-K592 VanDerWaalsContact O-CE 3.3Å; R588-K592 WeakPolarHBondContact O-CE 3.44Å; R588-K592 PolarHBondContact O-NZ 2.83Å; V589-K592 PolarHBondContact O-N 3.22Å; H590-K592 PolarHBondContact O-N 3.03Å
593	L	45.6	Very low	56.4	Low	102 Å²	102	94.4 Å²	94.4	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-74.7	-39.6	178	-68.7	168.5	0	0	0	110.6	H590 Q595 N596	H590-L593 PolarHBondContact O-N 3.11Å; L593-Q595 PolarHBondContact O-N 3.37Å; L593-N596 PolarHBondContact O-N 3.29Å
594	Q	41.7	Very low	54.3	Low	132 Å²	132	93.5 Å²	93.5	62%	0.617	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-67.3	-17.2	177.8	-60	178	11.4	0	0	113.7	E570 H590	E570-Q594 PolarHBondContact OE2-NE2 3.03Å; H590-Q594 PolarHBondContact O-N 3.41Å
595	Q	42.5	Very low	51.9	Low	151 Å²	151	100.7 Å²	100.7	71%	0.706	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-89.5	-1.6	177.3	-68.9	-175.6	-24.3	0	0	113.9	L593	L593-Q595 PolarHBondContact O-N 3.37Å
596	N	36.6	Very low	49.4	Very low	118 Å²	118	106.3 Å²	106.3	63%	0.631	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-100.8	11.9	177.8	-94.4	70.2	0	0	0	113	L593	L593-N596 PolarHBondContact O-N 3.29Å
597	I	29	Very low	47	Very low	144 Å²	144	111.1 Å²	111.1	74%	0.738	61%	0.61	S	S	*	*			trans	-131.2	91.7	179.1	-51.9	177.8	0	0	0	109.4
598	T	29.6	Very low	44.7	Very low	128 Å²	128	115.5 Å²	115.5	79%	0.785	63%	0.628	S	S	*	*			trans	-136.5	144.9	169.3	31.4	0	0	0	0	109.9
599	P	28.7	Very low	42.4	Very low	117 Å²	117	121.8 Å²	121.8	76%	0.76	66%	0.663	S	S	*	*			trans	-77.9	150.4	-160	30.8	-36.7	0	0	0	113.6	S601	P599-S601 PolarHBondContact O-N 3.49Å
600	T	28.5	Very low	40.3	Very low	152 Å²	152	128 Å²	128	93%	0.933	70%	0.695	S	S	*	*			trans	-66.1	127.2	165.5	42.2	0	0	0	0	110.3
601	S	33.1	Very low	38.1	Very low	94 Å²	94	136 Å²	136	66%	0.657	73%	0.732	S	S	*	*			trans	-134.3	145.9	172.9	61	0	0	0	0	110.7	P599	P599-S601 PolarHBondContact O-N 3.49Å
602	N	33.8	Very low	36.5	Very low	153 Å²	153	136 Å²	136	82%	0.818	74%	0.742	S	S	*	*			trans	68.2	106.7	173.1	-48.3	-21.1	0	0	0	116
603	D	38.5	Very low	35.6	Very low	171 Å²	171	138 Å²	138	91%	0.914	76%	0.763	S	S	*	*			trans	-119.1	155.3	133.3	-148.7	-23.5	0	0	0	108.1
604	S	40.3	Very low	35.2	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	77%	0.771	S	S	*	*			trans	-124.5	125	-156.9	-57.8	0	0	0	0	114.3
605	Q	38.9	Very low	34.9	Very low	194 Å²	194	141.2 Å²	141.2	91%	0.907	78%	0.784	S	S	*	*			trans	-157.2	126.6	161.8	-118.6	169.5	0.5	0	0	113
606	P	32.1	Very low	34.8	Very low	122 Å²	122	140 Å²	140	79%	0.792	79%	0.789	S	S	*	*			trans	-109.4	128.9	175.6	36.1	-27.3	0	0	0	113.1
607	V	37.4	Very low	34.8	Very low	144 Å²	144	140.6 Å²	140.6	87%	0.873	80%	0.799	S	S	*	*			trans	-144.3	158.3	161.8	-168.8	0	0	0	0	109
608	E	35.6	Very low	34.9	Very low	169 Å²	169	143.8 Å²	143.8	79%	0.79	81%	0.808	S	S	*	*			trans	-88.5	156.8	-151.3	-61.5	162.2	134.5	0	0	117.6
609	D	33.4	Very low	35.1	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	81%	0.812	S	S	*	*			trans	81.4	159.1	138.6	-73.7	-2.2	0	0	0	126.3
610	I	37.9	Very low	35.4	Very low	156 Å²	156	144.8 Å²	144.8	80%	0.8	81%	0.807	S	S	*	*			trans	86.4	63.8	168	-38.4	-172	0	0	0	119
611	E	35.5	Very low	35.7	Very low	179 Å²	179	146.4 Å²	146.4	84%	0.836	80%	0.801	S	S	*	*				57.6	152.5	108.4	-143.8	-176.4	-142.2	0	0	124.2
612	V	36.3	Very low	35.7	Very low	118 Å²	118	147.2 Å²	147.2	72%	0.715	80%	0.803	S	S	*	*			trans	94.9	95.9	156.8	-167.3	0	0	0	0	121.1
613	S	33.6	Very low	35.7	Very low	105 Å²	105	149.5 Å²	149.5	73%	0.734	81%	0.805	S	S	*	*				53.7	151	128.2	-145.3	0	0	0	0	121.9
614	S	36.9	Very low	35.4	Very low	101 Å²	101	146.2 Å²	146.2	71%	0.706	80%	0.796	S	S	*	*			cis	-159.5	143.2	23.7	-44.3	0	0	0	0	116
615	K	34	Very low	35.1	Very low	201 Å²	201	147.9 Å²	147.9	87%	0.874	80%	0.802	S	S	*	*			trans	15.7	138.5	146.4	-65.6	172.8	179.5	170	0	124
616	P	40.9	Very low	34.5	Very low	125 Å²	125	145.3 Å²	145.3	81%	0.812	80%	0.795	S	S	*	*			trans	-109.4	170	155.8	40.5	-32.6	0	0	0	114.4
617	P	36.8	Very low	34.7	Very low	131 Å²	131	145.1 Å²	145.1	85%	0.851	79%	0.793	S	S	*	*			trans	-126.2	169.1	167.3	38.7	-25.9	0	0	0	116.1
618	K	30.5	Very low	34.4	Very low	211 Å²	211	142.9 Å²	142.9	92%	0.917	78%	0.784	S	S	*	*			trans	-114.1	164.6	-176.6	-57.8	171.7	-179.7	174.7	0	112.6
619	I	34.9	Very low	34.3	Very low	173 Å²	173	142.7 Å²	142.7	89%	0.887	79%	0.787	S	S	*	*			trans	-148.6	173.9	145.1	-143.2	165.2	0	0	0	110.6
620	S	34.6	Very low	34.3	Very low	93 Å²	93	141.7 Å²	141.7	65%	0.65	78%	0.777	S	S	*	*			trans	-167.8	-179	-172	57.1	0	0	0	0	113.8
621	K	34.7	Very low	34.1	Very low	186 Å²	186	141.6 Å²	141.6	81%	0.809	77%	0.771	S	S	*	*			trans	93.2	148.8	168.5	-59.4	173.4	-177.6	175	0	115.5
622	T	33.5	Very low	34	Very low	111 Å²	111	141.6 Å²	141.6	68%	0.681	77%	0.768	S	S	*	*			cis	-166.2	157.1	0.3	9.8	0	0	0	0	113.1
623	K	33.9	Very low	33.7	Very low	201 Å²	201	141.3 Å²	141.3	87%	0.874	77%	0.767	S	S	*	*			trans	66.7	155.1	151.3	-73.8	171.3	-179.7	-177.1	0	116.6
624	S	32.1	Very low	33.5	Very low	102 Å²	102	141.2 Å²	141.2	71%	0.713	77%	0.766	S	S	*	*			cis	-170.3	175.1	-13.1	-171.4	0	0	0	0	106.5
625	T	33	Very low	33.2	Very low	132 Å²	132	141.4 Å²	141.4	81%	0.81	76%	0.763	S	S	*	*			cis	-159.4	175.5	18.1	-36	0	0	0	0	110.7
626	N	27	Very low	33	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	76%	0.759	S	S	*	*			trans	-92.7	-175.4	166.3	-127.4	-26.3	0	0	0	110.5
627	P	36.7	Very low	32.5	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	76%	0.764	S	S	*	*			cis	-146.3	-172.9	32	45	-23.4	0	0	0	118.8
628	S	29.8	Very low	32.3	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	75%	0.751	S	S	*	*			trans	-64.6	163.3	-176.7	-27.1	0	0	0	0	118.9
629	I	33.9	Very low	32.4	Very low	164 Å²	164	140.6 Å²	140.6	84%	0.841	75%	0.748	S	S	*	*			trans	-161.5	152.4	133.5	-97.1	147.1	0	0	0	107.2
630	Q	34.2	Very low	32.3	Very low	131 Å²	131	141 Å²	141	61%	0.612	74%	0.739	S	S	*	*			cis	167.1	149.5	-33.3	-131.1	-170.9	54.6	0	0	105.6
631	K	33.8	Very low	32.2	Very low	154 Å²	154	145.4 Å²	145.4	67%	0.67	74%	0.741	S	S	*	*			trans	75.9	119.6	161.3	-64	166.9	171.9	123.5	0	116.8
632	K	32.1	Very low	32.1	Very low	178 Å²	178	143.3 Å²	143.3	77%	0.774	74%	0.738	S	S	*	*				96.3	151.1	82.3	-78.7	-168.6	176.6	-170.9	0	111
633	T	31.4	Very low	32.1	Very low	113 Å²	113	141.2 Å²	141.2	69%	0.693	73%	0.733	S	S	*	*			cis	-168.9	144.2	-4.8	18.9	0	0	0	0	111.3
634	S	29.5	Very low	32.1	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	73%	0.73	S	S	*	*			trans	65.7	171.9	139.1	-151.9	0	0	0	0	115.9
635	T	30.9	Very low	31.9	Very low	105 Å²	105	138.9 Å²	138.9	64%	0.644	73%	0.733	S	S	*	*			cis	-148.2	149.1	6.2	-40.6	0	0	0	0	112.5
636	K	29.7	Very low	31.6	Very low	183 Å²	183	140 Å²	140	80%	0.796	73%	0.733	S	S	*	*			trans	-7.2	136.6	154.9	-45.4	160.3	-172.6	171.7	0	118.4
637	T	30.5	Very low	31.7	Very low	148 Å²	148	140 Å²	140	91%	0.908	74%	0.737	S	S	*	*			trans	-133.4	159	135.4	-4	0	0	0	0	108.5
638	T	31.6	Very low	31.2	Very low	95 Å²	95	141.1 Å²	141.1	58%	0.583	74%	0.737	S	S	*	*			trans	-155.5	159.2	-165	66.1	0	0	0	0	114.3
639	R	31.9	Very low	31.1	Very low	226 Å²	226	147.5 Å²	147.5	85%	0.853	75%	0.746	S	S	*	*			trans	92	149.7	162	-59.1	152.1	-176	-169.9	-1.4	114.6
640	R	32.6	Very low	30.8	Very low	182 Å²	182	144 Å²	144	69%	0.687	74%	0.736	S	S	*	*			cis	-160.4	141.2	16.4	-142.2	175.3	-165.1	-169.2	6.6	111.1
641	R	33.3	Very low	30.6	Very low	185 Å²	185	148 Å²	148	70%	0.698	75%	0.746	S	S	*	*			trans	56	148.2	138	-79.1	-177.7	-157.7	167.5	-2.1	120
642	D	32.9	Very low	30.3	Very low	141 Å²	141	147 Å²	147	75%	0.754	75%	0.753	S	S	*	*			cis	-147.8	177.7	8.4	-83.2	-45.6	0	0	0	108.3
643	A	32.9	Very low	30.1	Very low	68 Å²	68	145.8 Å²	145.8	56%	0.562	75%	0.75	S	S	*	*			cis	-174.2	139.5	-39.4	0	0	0	0	0	110.7
644	T	33.5	Very low	30	Very low	135 Å²	135	145.3 Å²	145.3	83%	0.828	75%	0.751	S	S	*	*			trans	71	165.3	159.1	70.2	0	0	0	0	118.8
645	P	29.7	Very low	29.8	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	75%	0.753	S	S	*	*				-136.9	169.6	-77.1	38.9	-20.8	0	0	0	116.6
646	I	24.9	Very low	29.6	Very low	156 Å²	156	151.3 Å²	151.3	80%	0.8	76%	0.761	S	S	*	*			trans	-72.1	132.6	170.5	-59.5	153	0	0	0	111.5
647	V	30.3	Very low	29.4	Very low	139 Å²	139	149.9 Å²	149.9	84%	0.842	76%	0.762	S	S	*	*			trans	-144.2	148	142.6	180	0	0	0	0	108.7
648	N	25.7	Very low	29.1	Very low	142 Å²	142	149.1 Å²	149.1	76%	0.759	75%	0.747	S	S	*	*			trans	-125	172.1	-172.8	-132.5	-33.3	0	0	0	110.7
649	R	27.3	Very low	29.2	Very low	231 Å²	231	148.3 Å²	148.3	87%	0.872	74%	0.743	S	S	*	*			trans	77.4	151.2	171.9	-65.5	-175.8	167.6	178.8	-2.3	117.4
650	S	28.8	Very low	28.9	Very low	92 Å²	92	140.8 Å²	140.8	64%	0.643	72%	0.716	S	S	*	*			cis	-162.1	131.7	-8.6	-111.1	0	0	0	0	115.6
651	R	29.6	Very low	28.6	Very low	214 Å²	214	134 Å²	134	81%	0.808	70%	0.695	S	S	*	*				49.1	118	117.3	-169	-169	-167.3	-178.6	6	121.9
652	T	27.7	Very low	28.2	Very low	133 Å²	133	127.5 Å²	127.5	82%	0.816	67%	0.672	S	S	*	*			trans	-128.6	105.7	135.8	41.3	0	0	0	0	108.7
653	Q	28.2	Very low	28	Very low	153 Å²	153	124 Å²	124	72%	0.715	65%	0.651	S	S	*	*				52.1	99.9	104.1	-62.2	-160.8	48.3	0	0	114.1
654	S	28	Very low	27.7	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	65%	0.651	S	S	*	*				-175	163.6	83.8	-71.3	0	0	0	0	109.5
655	K	26.1	Very low	27.3	Very low	175 Å²	175	125 Å²	125	76%	0.761	63%	0.634	S	S	*	*			cis	-170.6	153.2	-14.4	-103.5	175	-179.7	177.4	0	105.4
656	I	26.5	Very low	27.1	Very low	157 Å²	157	122.5 Å²	122.5	81%	0.805	62%	0.62	S	S	*	*			trans	69	156.1	168.3	-55.8	151	0	0	0	114.7
657	N	25.7	Very low	27.3	Very low	154 Å²	154	118.5 Å²	118.5	82%	0.824	60%	0.6	S	S	*	*				-156.8	154.7	-72.7	-98.6	-6.3	0	0	0	108.2
658	K	23.5	Very low	27	Very low	132 Å²	132	115.9 Å²	115.9	57%	0.574	58%	0.58	S	S	*	*			trans	-86.4	156.8	-168.6	-79.3	-169.4	174.6	-172.8	0	116	T921	K658-T921 HydrophobicContact CB-CG2 3.44Å; K658-T921 VanDerWaalsContact CB-CG2 3.44Å; K658-T921 HydrophobicContact CD-CG2 3.75Å; K658-T921 HydrophobicContact CG-CG2 4.23Å
659	P	35.2	Very low	27	Very low	78 Å²	78	109.1 Å²	109.1	51%	0.506	54%	0.544	S	S	.	.			trans	-130.9	132.2	-141.1	38.7	-22	0	0	0	117.5	A917	P659-A917 WeakPolarHBondContact O-CB 3.42Å
660	K	24.5	Very low	27	Very low	67 Å²	67	98.9 Å²	98.9	29%	0.291	51%	0.511	S	S	.	.				-111.6	-14.6	-129.6	-64.7	-102	166.5	-171.3	0	126.2	E913 A914 V915 A916 A917 T921	K660-E913 CarbonylContact C-O 3.16Å; K660-E913 WeakPolarHBondContact CA-O 3.46Å; K660-E913 WeakPolarHBondContact CB-O 3.37Å; K660-A914 CarbonylContact O-C 3.58Å; K660-V915 PolarHBondContact O-N 3.36Å; K660-A916 CarbonylContact O-C 3.41Å; K660-A916 WeakPolarHBondContact O-CA 3.48Å; K660-A916 PolarHBondContact O-N 3.26Å; K660-A917 HydrophobicContact CB-CB 4.25Å; K660-A917 HydrophobicContact CD-CB 3.78Å; K660-A917 HydrophobicContact CG-CB 3.99Å; K660-A917 VanDerWaalsContact NZ-C 3.32Å; K660-A917 PolarHBondContact NZ-O 3.48Å; K660-A917 PolarHBondContact O-N 2.93Å; K660-T921 PolarHBondContact NZ-OG1 2.95Å
661	V	25.8	Very low	26.9	Very low	39 Å²	39	100.9 Å²	100.9	24%	0.236	51%	0.51	C	S	.	.	B	Isolated β-bridge	trans	49.2	168.3	160.4	-170.1	0	0	0	0	119.6	N891 C912 E913 A914 V915 A916	V661-N891 HydrophobicContact CG1-CB 4.38Å; V661-C912 CarbonylContact C-O 3.39Å; V661-E913 PolarHBondContact N-O 3.35Å; V661-E913 CarbonylContact O-C 3.52Å; V661-A914 PolarHBondContact O-N 3.32Å; V661-V915 CarbonylContact O-C 3.54Å; V661-V915 PolarHBondContact O-N 3.41Å; V661-A916 HydrophobicContact CB-CB 3.82Å; V661-A916 HydrophobicContact CG1-CB 4Å; V661-A916 PolarHBondContact O-N 2.9Å
662	K	24.9	Very low	26.9	Very low	49 Å²	49	94.2 Å²	94.2	21%	0.213	50%	0.496	C	S	.	.			trans	173.9	163.5	140.4	-143.5	-131.6	-164	68.2	0	116.6	N891 C912 V915 A916	K662-N891 CarbonylContact C-O 2.89Å; K662-N891 CarbonylContact O-C 3.59Å; K662-N891 VanDerWaalsContact O-C 3.23Å; K662-N891 WeakPolarHBondContact O-CB 3.47Å; K662-N891 VanDerWaalsContact O-O 3.09Å; K662-C912 PolarHBondContact N-O 3.05Å; K662-C912 PolarHBondContact O-SG 3.13Å; K662-V915 HydrophobicContact CB-CB 3.81Å; K662-V915 HydrophobicContact CB-CG1 4.03Å; K662-V915 HydrophobicContact CD-CB 4.34Å; K662-V915 HydrophobicContact CD-CG1 3.55Å; K662-V915 HydrophobicContact CG-CB 4.09Å; K662-V915 HydrophobicContact CG-CG1 3.79Å; K662-V915 WeakPolarHBondContact CG-O 3.32Å; K662-V915 PolarHBondContact NZ-O 3.17Å; K662-A916 HydrophobicContact CB-CB 3.82Å; K662-A916 HydrophobicContact CG-CB 3.62Å
663	H	28.3	Very low	26.9	Very low	69 Å²	69	94.3 Å²	94.3	32%	0.319	49%	0.492	S	S	.	.			trans	-63.9	171.8	164.1	-55.8	-104.5	0	0	0	113.7	M530 N891	M530-H663 VanDerWaalsContact CE-CE1 3.5Å; M530-H663 WeakPolarHBondContact CE-CE1 3.34Å; M530-H663 WeakPolarHBondContact CE-NE2 3.49Å; H663-N891 WeakPolarHBondContact CA-O 3.42Å
664	K	26.8	Very low	27	Very low	132 Å²	132	93.4 Å²	93.4	57%	0.574	49%	0.49	S	S	*	.			cis	-154.2	158.3	29.9	-162.6	-172.9	176.6	-169.4	0	113.7	C892	K664-C892 CarbonylContact C-O 3.55Å
665	L	26.1	Very low	27	Very low	90 Å²	90	94.7 Å²	94.7	47%	0.471	49%	0.488	S	S	.	.			trans	-79.8	171.1	172.2	-62.5	72.6	0	0	0	111.9	C892	L665-C892 WeakPolarHBondContact CG-O 3.42Å; L665-C892 PolarHBondContact N-O 2.86Å
666	S	25.6	Very low	27.1	Very low	68 Å²	68	91.6 Å²	91.6	48%	0.476	48%	0.484	S	S	.	.				160.8	97.6	104	-82	0	0	0	0	117	I724	S666-I724 VanDerWaalsContact C-CD1 3.44Å; S666-I724 VanDerWaalsContact O-CG1 3.29Å; S666-I724 WeakPolarHBondContact O-CG1 3.32Å
667	I	28.2	Very low	27.3	Very low	71 Å²	71	90.4 Å²	90.4	36%	0.364	48%	0.479	S	S	.	.			trans	31.9	133.9	133	-35	174.2	0	0	0	120.6	C722 E739	I667-C722 WeakPolarHBondContact O-CB 3.42Å; I667-C722 PolarHBondContact O-SG 2.81Å; I667-E739 VanDerWaalsContact CA-OE2 3.26Å; I667-E739 WeakPolarHBondContact CA-OE2 3.34Å; I667-E739 WeakPolarHBondContact CG1-OE2 3.23Å; I667-E739 HydrophobicContact CG2-CB 4.48Å
668	I	25.5	Very low	27.5	Very low	84 Å²	84	86.9 Å²	86.9	43%	0.431	47%	0.467	S	S	.	.			trans	132	122.9	147.8	-6.6	112	0	0	0	117.6	C719 Y721 C722 H740	I668-C719 WeakPolarHBondContact O-CB 3.32Å; I668-Y721 VanDerWaalsContact C-CB 3.49Å; I668-Y721 HydrophobicContact CG2-CD2 3.86Å; I668-Y721 HydrophobicContact CG2-CG 4.22Å; I668-Y721 CarbonylContact O-C 3.3Å; I668-Y721 PolarHBondContact O-N 3.08Å; I668-C722 HydrophobicContact CB-CB 3.64Å; I668-C722 HydrophobicContact CD1-CB 3.57Å; I668-C722 HydrophobicContact CG1-CB 3.95Å; I668-C722 PolarHBondContact N-SG 2.6Å; I668-C722 VanDerWaalsContact O-CB 3.29Å; I668-C722 WeakPolarHBondContact O-CB 3.28Å; I668-C722 PolarHBondContact O-N 2.9Å; I668-C722 PolarHBondContact O-SG 2.83Å; I668-H740 WeakPolarHBondContact CA-CE1 3.34Å; I668-H740 PolarHBondContact N-CE1 3.39Å; I668-H740 PolarHBondContact N-NE2 2.94Å
669	G	24.6	Very low	27.8	Very low	0 Å²	0	86.4 Å²	86.4	0%	0	48%	0.475	C	S	.	.			trans	-113.2	-116	-161.3	0	0	0	0	0	128.1	C719 R720 Y721 H740	G669-C719 WeakPolarHBondContact CA-SG 3.41Å; G669-R720 CarbonylContact O-C 3.52Å; G669-R720 WeakPolarHBondContact O-CA 3.46Å; G669-R720 WeakPolarHBondContact O-CB 3.32Å; G669-R720 PolarHBondContact O-N 3.48Å; G669-Y721 VanDerWaalsContact C-CE2 3.41Å; G669-Y721 VanDerWaalsContact N-CB 3.31Å; G669-Y721 WeakPolarHBondContact O-CD1 3.36Å; G669-Y721 VanDerWaalsContact O-CG 3.25Å; G669-Y721 PolarHBondContact O-N 3.41Å; G669-H740 WeakPolarHBondContact CA-CD2 3.38Å; G669-H740 PolarHBondContact N-CD2 2.81Å; G669-H740 PolarHBondContact N-ND1 3.13Å; G669-H740 PolarHBondContact N-NE2 2.85Å
670	G	26.8	Very low	27.4	Very low	17 Å²	17	88.4 Å²	88.4	18%	0.175	49%	0.486	C	S	.	.			trans	-73.2	-139.6	-147.2	0	0	0	0	0	123.2	R720 Y721	G670-R720 WeakPolarHBondContact O-CB 3.38Å; G670-R720 WeakPolarHBondContact O-CD 3.4Å; G670-R720 WeakPolarHBondContact O-CG 3.3Å; G670-R720 PolarHBondContact O-NE 3.48Å; G670-Y721 VanDerWaalsContact N-CZ 3.25Å; G670-Y721 VanDerWaalsContact O-CD1 3.24Å; G670-Y721 WeakPolarHBondContact O-CD1 3.44Å; G670-Y721 WeakPolarHBondContact O-CE1 3.49Å
671	E	27.7	Very low	27.5	Very low	134 Å²	134	90.2 Å²	90.2	63%	0.626	50%	0.503	S	S	*	.			trans	105.1	147.3	177	-89.2	-177.6	-174.9	0	0	120.7	R720 Y721	E671-R720 VanDerWaalsContact CB-NH2 3.25Å; E671-R720 VanDerWaalsContact O-CZ 3.27Å; E671-R720 PolarHBondContact O-NH1 3.49Å; E671-R720 IonicContact OE2-CZ 2.72Å; E671-R720 IonicContact OE2-NH2 3.98Å; E671-R720 PolarHBondContact OE2-NH2 3.2Å; E671-Y721 HydrophobicContact CB-CE1 4.02Å; E671-Y721 HydrophobicContact CG-CE1 3.79Å
672	S	29.6	Very low	27.6	Very low	74 Å²	74	94 Å²	94	52%	0.517	53%	0.527	S	S	.	.			trans	49.3	130.4	149.6	103.9	0	0	0	0	119.8	R720	S672-R720 PolarHBondContact O-NH1 3.24Å; S672-R720 PolarHBondContact OG-NH1 2.89Å; S672-R720 PolarHBondContact OG-NH2 2.69Å
673	D	27.9	Very low	27.8	Very low	135 Å²	135	96.6 Å²	96.6	72%	0.722	55%	0.546	S	S	*	.			cis	-172.7	179.4	5.2	-137.6	-28.5	0	0	0	113.3
674	I	28.7	Very low	27.8	Very low	133 Å²	133	99.5 Å²	99.5	68%	0.682	56%	0.564	S	S	*	*			trans	69.9	134.8	143.7	-77.7	166.5	0	0	0	118.5
675	L	30	Very low	27.9	Very low	131 Å²	131	99 Å²	99	69%	0.686	57%	0.568	S	S	*	*			cis	-159.2	150.2	-1.1	-97.8	165.9	0	0	0	111.6
676	T	28.3	Very low	28.1	Very low	109 Å²	109	100.4 Å²	100.4	67%	0.669	58%	0.576	S	S	*	*			trans	61.5	153.7	142.2	57.1	0	0	0	0	122.2
677	D	30.4	Very low	28.3	Very low	132 Å²	132	103.6 Å²	103.6	71%	0.706	59%	0.587	S	S	*	*			cis	-148.5	148.9	-0.8	-129.8	-27.2	0	0	0	117.1
678	S	29.7	Very low	28.4	Very low	81 Å²	81	107.4 Å²	107.4	57%	0.566	61%	0.609	S	S	*	*			trans	37.6	123.4	137.2	-71.3	0	0	0	0	124.5
679	T	28.3	Very low	28.7	Very low	122 Å²	122	112.1 Å²	112.1	75%	0.748	63%	0.629	S	S	*	*				70.2	161.4	129.8	67.4	0	0	0	0	119.5
680	T	28	Very low	29	Very low	119 Å²	119	117.1 Å²	117.1	73%	0.73	66%	0.661	S	S	*	*			cis	-167.7	169.8	-26.4	35.5	0	0	0	0	106.3
681	T	27	Very low	29.1	Very low	106 Å²	106	124 Å²	124	65%	0.65	69%	0.694	S	S	*	*			cis	-163.2	166.6	6.7	-2.5	0	0	0	0	109.2
682	T	28	Very low	29	Very low	119 Å²	119	123 Å²	123	73%	0.73	70%	0.699	S	S	*	*			trans	63.2	156.2	151.2	53.6	0	0	0	0	118.6
683	T	28.5	Very low	28.8	Very low	102 Å²	102	126.3 Å²	126.3	63%	0.626	72%	0.716	S	S	*	*			cis	-168.3	153.5	-9.8	22.4	0	0	0	0	109.8
684	N	29	Very low	28.7	Very low	131 Å²	131	123.8 Å²	123.8	70%	0.701	71%	0.709	S	S	*	*			trans	64.9	155.3	148.1	-63.6	-8.5	0	0	0	118.2
685	N	28.7	Very low	28.7	Very low	121 Å²	121	126.1 Å²	126.1	65%	0.647	72%	0.721	S	S	*	*			cis	-162.5	163.7	-16.5	-112.8	-15.5	0	0	0	111.8
686	N	29.5	Very low	28.6	Very low	120 Å²	120	126.9 Å²	126.9	64%	0.642	72%	0.721	S	S	*	*			trans	67.3	103.1	148	-64	-15.9	0	0	0	122.7
687	N	29.6	Very low	28.8	Very low	134 Å²	134	128.1 Å²	128.1	72%	0.717	72%	0.724	S	S	*	*				79.2	140.6	114.8	-57.1	-19.8	0	0	0	123.7
688	N	30.6	Very low	29.4	Very low	151 Å²	151	126.9 Å²	126.9	81%	0.807	72%	0.721	S	S	*	*			trans	86.9	95	152.3	-58.5	-22.9	0	0	0	121.2
689	H	31.5	Very low	30.5	Very low	184 Å²	184	128.5 Å²	128.5	85%	0.852	72%	0.724	S	S	*	*				54	148.5	116.5	-130.3	-100.7	0	0	0	121
690	P	32.2	Very low	31.7	Very low	104 Å²	104	124 Å²	124	68%	0.675	70%	0.697	S	S	*	*			cis	-114.6	-178.7	-6.3	8.1	17.8	0	0	0	114.7
691	N	28.3	Very low	33.4	Very low	163 Å²	163	120 Å²	120	87%	0.872	67%	0.674	S	S	*	*			trans	-55.1	142.7	171.5	-78.3	-12	0	0	0	115
692	P	25.4	Very low	35.3	Very low	113 Å²	113	122.8 Å²	122.8	73%	0.734	68%	0.68	S	S	*	*				-111.6	160.1	128.4	35.3	-31.6	0	0	0	112	S694	P692-S694 PolarHBondContact O-N 2.86Å
693	V	25.4	Very low	37.2	Very low	143 Å²	143	117.8 Å²	117.8	87%	0.867	65%	0.648	S	S	*	*			trans	-52.2	116.9	-176.7	178.7	0	0	0	0	112.2
694	S	25.4	Very low	39.1	Very low	82 Å²	82	113.1 Å²	113.1	57%	0.573	62%	0.619	S	S	*	*			trans	-94.4	116.3	176.4	-150.9	0	0	0	0	111.1	P692 Q696	P692-S694 PolarHBondContact O-N 2.86Å; S694-Q696 PolarHBondContact O-N 3.42Å; S694-Q696 VanDerWaalsContact O-N 3.11Å; S694-Q696 WeakPolarHBondContact OG-CG 3.44Å; S694-Q696 PolarHBondContact OG-NE2 3.23Å
695	L	28.1	Very low	41	Very low	181 Å²	181	112.2 Å²	112.2	95%	0.948	61%	0.606	S	S	*	*			trans	-76.6	84.8	169	-77.8	160.6	0	0	0	109
696	Q	28.1	Very low	43.2	Very low	148 Å²	148	110.4 Å²	110.4	69%	0.692	59%	0.594	S	S	*	*			trans	-96.5	148.5	180	-71.6	178.2	-11.6	0	0	112.3	S694	S694-Q696 PolarHBondContact O-N 3.42Å; S694-Q696 VanDerWaalsContact O-N 3.11Å; S694-Q696 WeakPolarHBondContact OG-CG 3.44Å; S694-Q696 PolarHBondContact OG-NE2 3.23Å
697	D	34	Very low	45.2	Very low	135 Å²	135	104.8 Å²	104.8	72%	0.722	56%	0.564	S	S	*	*			trans	65.7	84.7	168.6	-53.3	-27.9	0	0	0	118.4
698	T	42.3	Very low	47.2	Very low	105 Å²	105	101 Å²	101	64%	0.644	55%	0.548	S	S	*	.			trans	-66.7	129.2	158.6	43.3	0	0	0	0	111.1	S700 R705	T698-S700 PolarHBondContact O-N 3.07Å; T698-R705 PolarHBondContact O-NH2 3.13Å; T698-R705 PolarHBondContact OG1-NH2 3.36Å
699	N	51.9	Low	49.2	Very low	116 Å²	116	98.4 Å²	98.4	62%	0.62	54%	0.542	S	S	*	.	S	Bend	trans	-67	28.5	-163.9	-66.2	-75	0	0	0	118.1	R822	N699-R822 PolarHBondContact O-NH1 3.32Å
700	S	54.8	Low	51.4	Low	27 Å²	27	91 Å²	91	19%	0.189	51%	0.508	C	S	.	.			trans	-93.4	135.1	168.1	50.6	0	0	0	0	110.7	T698 R705	T698-S700 PolarHBondContact O-N 3.07Å; S700-R705 WeakPolarHBondContact OG-CG 3.5Å; S700-R705 PolarHBondContact OG-NE 2.82Å
701	S	62.8	Low	53.5	Low	34 Å²	34	89.8 Å²	89.8	24%	0.238	50%	0.496	C	S	.	.			trans	-61.2	159.1	167.1	58.9	0	0	0	0	111.6	F703 E704 R705	S701-F703 PolarHBondContact O-N 3.11Å; S701-E704 VanDerWaalsContact CB-OE1 3.23Å; S701-E704 WeakPolarHBondContact CB-OE1 3.33Å; S701-E704 PolarHBondContact N-OE1 3.25Å; S701-E704 WeakPolarHBondContact O-CB 3.35Å; S701-E704 PolarHBondContact O-N 3.03Å; S701-E704 VanDerWaalsContact O-N 3.11Å; S701-E704 WeakPolarHBondContact OG-CG 3.29Å; S701-E704 PolarHBondContact OG-N 2.88Å; S701-E704 VanDerWaalsContact OG-N 3.11Å; S701-E704 PolarHBondContact OG-OE1 3.11Å; S701-R705 PolarHBondContact O-N 3.43Å
702	E	66.7	Low	55.7	Low	166 Å²	166	82.4 Å²	82.4	78%	0.776	46%	0.459	S	S	*	.	H	α-helix	trans	-56.2	-39.2	173.7	-173.8	167.7	-173.5	0	0	111.4	R705 M706	E702-R705 PolarHBondContact O-N 2.6Å; E702-M706 WeakPolarHBondContact O-CB 3.42Å; E702-M706 PolarHBondContact O-N 2.85Å
703	F	68.5	Low	58.3	Low	14 Å²	14	82.8 Å²	82.8	6%	0.061	45%	0.449	C	S	.	.	H	α-helix	trans	-61.6	-44.5	171.8	177	-113.5	0	0	0	114	S701 R705 M706 L707 L734 E737 I747 F760 I884	S701-F703 PolarHBondContact O-N 3.11Å; F703-R705 VanDerWaalsContact C-N 3.3Å; F703-R705 PolarHBondContact O-N 3.13Å; F703-M706 PolarHBondContact O-N 3.13Å; F703-L707 HydrophobicContact CD1-CD1 4.46Å; F703-L707 HydrophobicContact CD2-CD1 4.13Å; F703-L707 HydrophobicContact CD2-CG 4.42Å; F703-L707 HydrophobicContact CE1-CD1 3.85Å; F703-L707 HydrophobicContact CE2-CD1 3.46Å; F703-L707 VanDerWaalsContact CE2-CD1 3.46Å; F703-L707 HydrophobicContact CE2-CG 4.07Å; F703-L707 HydrophobicContact CZ-CD1 3.32Å; F703-L707 HydrophobicContact CZ-CG 4.39Å; F703-L707 PolarHBondContact O-N 3.25Å; F703-L734 HydrophobicContact CZ-CD1 3.73Å; F703-E737 HydrophobicContact CD2-CB 4.47Å; F703-E737 HydrophobicContact CD2-CG 3.82Å; F703-E737 HydrophobicContact CE2-CB 3.84Å; F703-E737 HydrophobicContact CE2-CG 3.6Å; F703-I747 HydrophobicContact CB-CD1 4.41Å; F703-I747 HydrophobicContact CD1-CD1 4.09Å; F703-I747 HydrophobicContact CD1-CG1 4.44Å; F703-I747 HydrophobicContact CD1-CG2 3.98Å; F703-I747 HydrophobicContact CD2-CD1 3.93Å; F703-I747 HydrophobicContact CE1-CD1 4.26Å; F703-I747 HydrophobicContact CE1-CG2 3.84Å; F703-I747 HydrophobicContact CE2-CD1 4.1Å; F703-I747 HydrophobicContact CG-CD1 3.9Å; F703-I747 HydrophobicContact CZ-CD1 4.24Å; F703-F760 HydrophobicContact CE1-CB 4.28Å; F703-F760 AromaticContact CE1-CD1 3.81Å; F703-F760 HydrophobicContact CE1-CD1 3.81Å; F703-F760 HydrophobicContact CE1-CE1 4.25Å; F703-F760 HydrophobicContact CE1-CG 4.02Å; F703-I884 HydrophobicContact CD1-CD1 4.43Å; F703-I884 HydrophobicContact CE1-CD1 4.22Å
704	E	68.2	Low	60.8	Low	4 Å²	4	79.3 Å²	79.3	2%	0.019	43%	0.431	C	S	.	.	H	α-helix	trans	-57.9	-42.4	171.8	-81.4	156.7	-93.9	0	0	111.4	S701 S708 R822 I884	S701-E704 VanDerWaalsContact CB-OE1 3.23Å; S701-E704 WeakPolarHBondContact CB-OE1 3.33Å; S701-E704 PolarHBondContact N-OE1 3.25Å; S701-E704 WeakPolarHBondContact O-CB 3.35Å; S701-E704 PolarHBondContact O-N 3.03Å; S701-E704 VanDerWaalsContact O-N 3.11Å; S701-E704 WeakPolarHBondContact OG-CG 3.29Å; S701-E704 PolarHBondContact OG-N 2.88Å; S701-E704 VanDerWaalsContact OG-N 3.11Å; S701-E704 PolarHBondContact OG-OE1 3.11Å; E704-S708 WeakPolarHBondContact O-CB 3.49Å; E704-S708 PolarHBondContact O-N 3.23Å; E704-R822 IonicContact OE2-CZ 3.7Å; E704-R822 IonicContact OE2-NH1 2.68Å; E704-R822 IonicContact OE2-NH2 2.74Å; E704-R822 PolarHBondContact OE2-NH2 3.05Å; E704-I884 HydrophobicContact CG-CD1 4.2Å
705	R	69.9	Low	63.3	Low	112 Å²	112	77.9 Å²	77.9	42%	0.423	42%	0.424	S	S	.	.	H	α-helix	trans	-67.2	-44.7	177.7	-63.8	-177.4	-169.9	175.9	5.6	111.7	T698 S700 S701 E702 F703 S708 S709	T698-R705 PolarHBondContact O-NH2 3.13Å; T698-R705 PolarHBondContact OG1-NH2 3.36Å; S700-R705 WeakPolarHBondContact OG-CG 3.5Å; S700-R705 PolarHBondContact OG-NE 2.82Å; S701-R705 PolarHBondContact O-N 3.43Å; E702-R705 PolarHBondContact O-N 2.6Å; F703-R705 VanDerWaalsContact C-N 3.3Å; F703-R705 PolarHBondContact O-N 3.13Å; R705-S708 WeakPolarHBondContact CA-OG 3.28Å; R705-S708 PolarHBondContact O-N 2.77Å; R705-S708 PolarHBondContact O-OG 3.33Å; R705-S709 PolarHBondContact O-N 2.87Å
706	M	73.2	Confident	65.7	Low	83 Å²	83	75.1 Å²	75.1	41%	0.409	42%	0.417	S	S	.	.	H	α-helix	trans	-56.2	-55.4	176.7	-169.7	-167.3	-60.6	0	0	111	E702 F703 S708 S709 I710	E702-M706 WeakPolarHBondContact O-CB 3.42Å; E702-M706 PolarHBondContact O-N 2.85Å; F703-M706 PolarHBondContact O-N 3.13Å; M706-S708 PolarHBondContact O-N 3.21Å; M706-S709 PolarHBondContact O-N 3.13Å; M706-S709 PolarHBondContact O-OG 3.18Å; M706-I710 HydrophobicContact CG-CD1 4.4Å
707	L	72	Confident	68.3	Low	2 Å²	2	68.8 Å²	68.8	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-68.2	-17.4	178.5	-72.2	178	0	0	0	114.4	F703 I710 K730 H733 L734 I884	F703-L707 HydrophobicContact CD1-CD1 4.46Å; F703-L707 HydrophobicContact CD2-CD1 4.13Å; F703-L707 HydrophobicContact CD2-CG 4.42Å; F703-L707 HydrophobicContact CE1-CD1 3.85Å; F703-L707 HydrophobicContact CE2-CD1 3.46Å; F703-L707 VanDerWaalsContact CE2-CD1 3.46Å; F703-L707 HydrophobicContact CE2-CG 4.07Å; F703-L707 HydrophobicContact CZ-CD1 3.32Å; F703-L707 HydrophobicContact CZ-CG 4.39Å; F703-L707 PolarHBondContact O-N 3.25Å; L707-I710 HydrophobicContact CD2-CD1 4.05Å; L707-K730 HydrophobicContact CD2-CG 4.47Å; L707-K730 WeakPolarHBondContact O-CD 3.36Å; L707-K730 WeakPolarHBondContact O-CE 3.47Å; L707-H733 HydrophobicContact CD2-CB 3.87Å; L707-L734 HydrophobicContact CD1-CB 4.38Å; L707-L734 HydrophobicContact CD1-CD1 3.97Å; L707-L734 HydrophobicContact CD2-CB 4.43Å; L707-I884 HydrophobicContact CB-CD1 3.95Å; L707-I884 HydrophobicContact CB-CG1 4.23Å; L707-I884 HydrophobicContact CD1-CD1 3.62Å; L707-I884 HydrophobicContact CG-CD1 4.42Å
708	S	71.4	Confident	70.8	Confident	54 Å²	54	66 Å²	66	38%	0.378	38%	0.381	S	S	.	.	H	α-helix	trans	-76.9	-22.4	170	77	0	0	0	0	113.9	E704 R705 M706 G881	E704-S708 WeakPolarHBondContact O-CB 3.49Å; E704-S708 PolarHBondContact O-N 3.23Å; R705-S708 WeakPolarHBondContact CA-OG 3.28Å; R705-S708 PolarHBondContact O-N 2.77Å; R705-S708 PolarHBondContact O-OG 3.33Å; M706-S708 PolarHBondContact O-N 3.21Å; S708-G881 VanDerWaalsContact CB-CA 3.43Å
709	S	73.3	Confident	72.7	Confident	97 Å²	97	61.1 Å²	61.1	68%	0.678	35%	0.351	S	S	*	.	S	Bend	trans	-88.3	-7.6	178.6	64.6	0	0	0	0	114.8	R705 M706	R705-S709 PolarHBondContact O-N 2.87Å; M706-S709 PolarHBondContact O-N 3.13Å; M706-S709 PolarHBondContact O-OG 3.18Å
710	I	77.3	Confident	74.1	Confident	29 Å²	29	60.7 Å²	60.7	15%	0.149	34%	0.34	C	S	.	.	S	Bend	trans	-95.7	137.8	-176	-67.9	155.8	0	0	0	110.4	M706 L707 G712 L729 K730 H733	M706-I710 HydrophobicContact CG-CD1 4.4Å; L707-I710 HydrophobicContact CD2-CD1 4.05Å; I710-G712 PolarHBondContact O-N 3.15Å; I710-L729 HydrophobicContact CG2-CB 4.02Å; I710-K730 HydrophobicContact CG2-CB 4.1Å; I710-H733 HydrophobicContact CD1-CB 3.67Å; I710-H733 VanDerWaalsContact CD1-CG 3.47Å
711	D	75.9	Confident	75.2	Confident	77 Å²	77	64.1 Å²	64.1	41%	0.412	35%	0.35	S	S	.	.			trans	-62.1	126.9	-175.7	-160.3	-7.5	0	0	0	112.3	K713	D711-K713 WeakPolarHBondContact OD1-CG 3.29Å; D711-K713 PolarHBondContact OD1-N 3.41Å; D711-K713 IonicContact OD1-NZ 2.8Å; D711-K713 PolarHBondContact OD1-NZ 3.03Å; D711-K713 IonicContact OD2-NZ 2.74Å; D711-K713 PolarHBondContact OD2-NZ 3.35Å
712	G	74.8	Confident	76.2	Confident	9 Å²	9	64 Å²	64	9%	0.093	35%	0.349	C	S	.	.			trans	-86.2	-9.9	-178.3	0	0	0	0	0	114.6	I710 N728 D899	I710-G712 PolarHBondContact O-N 3.15Å; G712-N728 PolarHBondContact O-ND2 3.01Å; G712-D899 VanDerWaalsContact O-CB 3.3Å; G712-D899 WeakPolarHBondContact O-CB 3.3Å; G712-D899 PolarHBondContact O-N 3.38Å
713	K	80	Confident	76.9	Confident	121 Å²	121	62.5 Å²	62.5	53%	0.526	34%	0.342	S	S	.	.			trans	-57.7	135.6	-174.1	-71.9	176.8	-156.3	73.1	0	112.7	D711 A715 N728 D899	D711-K713 WeakPolarHBondContact OD1-CG 3.29Å; D711-K713 PolarHBondContact OD1-N 3.41Å; D711-K713 IonicContact OD1-NZ 2.8Å; D711-K713 PolarHBondContact OD1-NZ 3.03Å; D711-K713 IonicContact OD2-NZ 2.74Å; D711-K713 PolarHBondContact OD2-NZ 3.35Å; K713-A715 PolarHBondContact O-N 3.22Å; K713-A715 VanDerWaalsContact O-N 3.09Å; K713-N728 WeakPolarHBondContact O-CB 3.46Å; K713-D899 VanDerWaalsContact CA-OD2 3.32Å; K713-D899 WeakPolarHBondContact CA-OD2 3.24Å; K713-D899 PolarHBondContact N-OD2 3.47Å
714	S	77.7	Confident	77.5	Confident	70 Å²	70	63.8 Å²	63.8	49%	0.49	35%	0.348	S	S	.	.			trans	-62.1	108.8	174.4	-54	0	0	0	0	111.7	D727	S714-D727 CarbonylContact C-O 3.34Å; S714-D727 VanDerWaalsContact CA-O 3.31Å; S714-D727 WeakPolarHBondContact CA-O 3.45Å
715	A	77.9	Confident	78.3	Confident	51 Å²	51	70.8 Å²	70.8	42%	0.421	38%	0.381	S	S	.	.			trans	-153.1	124.7	172.5	0	0	0	0	0	108	K713 A717 D727 N728	K713-A715 PolarHBondContact O-N 3.22Å; K713-A715 VanDerWaalsContact O-N 3.09Å; A715-A717 PolarHBondContact O-N 3.31Å; A715-D727 CarbonylContact C-O 3.36Å; A715-D727 VanDerWaalsContact C-O 3.29Å; A715-D727 PolarHBondContact N-O 2.9Å; A715-D727 CarbonylContact O-C 3.58Å; A715-D727 VanDerWaalsContact O-C 3.3Å; A715-N728 WeakPolarHBondContact O-CA 3.28Å; A715-N728 PolarHBondContact O-N 3.4Å
716	P	80.1	Confident	79	Confident	124 Å²	124	66 Å²	66	81%	0.805	36%	0.364	S	S	*	.			trans	-60.9	130.1	-175	25.9	-34.3	0	0	0	110.6	V726	P716-V726 WeakPolarHBondContact CA-O 3.3Å
717	A	82.5	Confident	79.4	Confident	15 Å²	15	64.1 Å²	64.1	12%	0.124	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	139.9	-179.4	0	0	0	0	0	109.2	A715 V726 L729 L732	A715-A717 PolarHBondContact O-N 3.31Å; A717-V726 HydrophobicContact CB-CG2 4.35Å; A717-V726 PolarHBondContact N-O 3.19Å; A717-V726 VanDerWaalsContact O-CG2 3.22Å; A717-V726 WeakPolarHBondContact O-CG2 3.42Å; A717-V726 PolarHBondContact O-N 3.13Å; A717-L729 HydrophobicContact CB-CD2 4.16Å; A717-L732 HydrophobicContact CB-CB 4.27Å; A717-L732 HydrophobicContact CB-CD2 3.91Å
718	S	84.8	Confident	80.2	Confident	76 Å²	76	64 Å²	64	53%	0.531	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.4	-175.8	59.4	0	0	0	0	113.2	I724	S718-I724 CarbonylContact C-O 3.41Å; S718-I724 WeakPolarHBondContact CA-O 3.4Å; S718-I724 WeakPolarHBondContact CB-O 3.36Å
719	C	83.6	Confident	80.8	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.014	36%	0.358	C	S	.	.			trans	-92.8	133.3	175.9	-127.7	0	0	0	0	110.8	I668 G669 H723 I724 L732 H735	I668-C719 WeakPolarHBondContact O-CB 3.32Å; G669-C719 WeakPolarHBondContact CA-SG 3.41Å; C719-H723 WeakPolarHBondContact O-CA 3.44Å; C719-H723 PolarHBondContact O-N 2.97Å; C719-I724 PolarHBondContact N-O 3.32Å; C719-L732 HydrophobicContact CB-CD1 3.76Å; C719-L732 WeakPolarHBondContact SG-CD1 3.48Å; C719-H735 PolarHBondContact SG-CD2 3.48Å
720	R	81.4	Confident	81.5	Confident	107 Å²	107	61.2 Å²	61.2	40%	0.404	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.9	-162	159.6	179.7	157.3	159.8	0.5	116.4	G669 G670 E671 S672 H723	G669-R720 CarbonylContact O-C 3.52Å; G669-R720 WeakPolarHBondContact O-CA 3.46Å; G669-R720 WeakPolarHBondContact O-CB 3.32Å; G669-R720 PolarHBondContact O-N 3.48Å; G670-R720 WeakPolarHBondContact O-CB 3.38Å; G670-R720 WeakPolarHBondContact O-CD 3.4Å; G670-R720 WeakPolarHBondContact O-CG 3.3Å; G670-R720 PolarHBondContact O-NE 3.48Å; E671-R720 VanDerWaalsContact CB-NH2 3.25Å; E671-R720 VanDerWaalsContact O-CZ 3.27Å; E671-R720 PolarHBondContact O-NH1 3.49Å; E671-R720 IonicContact OE2-CZ 2.72Å; E671-R720 IonicContact OE2-NH2 3.98Å; E671-R720 PolarHBondContact OE2-NH2 3.2Å; S672-R720 PolarHBondContact O-NH1 3.24Å; S672-R720 PolarHBondContact OG-NH1 2.89Å; S672-R720 PolarHBondContact OG-NH2 2.69Å; R720-H723 PolarHBondContact O-CE1 3.33Å
721	Y	78.3	Confident	82	Confident	100 Å²	100	60 Å²	60	39%	0.392	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-8.8	-179.8	-42.2	-48.2	0	0	0	110.7	I668 G669 G670 E671 H740	I668-Y721 VanDerWaalsContact C-CB 3.49Å; I668-Y721 HydrophobicContact CG2-CD2 3.86Å; I668-Y721 HydrophobicContact CG2-CG 4.22Å; I668-Y721 CarbonylContact O-C 3.3Å; I668-Y721 PolarHBondContact O-N 3.08Å; G669-Y721 VanDerWaalsContact C-CE2 3.41Å; G669-Y721 VanDerWaalsContact N-CB 3.31Å; G669-Y721 WeakPolarHBondContact O-CD1 3.36Å; G669-Y721 VanDerWaalsContact O-CG 3.25Å; G669-Y721 PolarHBondContact O-N 3.41Å; G670-Y721 VanDerWaalsContact N-CZ 3.25Å; G670-Y721 VanDerWaalsContact O-CD1 3.24Å; G670-Y721 WeakPolarHBondContact O-CD1 3.44Å; G670-Y721 WeakPolarHBondContact O-CE1 3.49Å; E671-Y721 HydrophobicContact CB-CE1 4.02Å; E671-Y721 HydrophobicContact CG-CE1 3.79Å; Y721-H740 HydrophobicContact CE2-CB 4.41Å
722	C	82.3	Confident	82.5	Confident	31 Å²	31	57.4 Å²	57.4	21%	0.209	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-23.4	-178.9	80.3	0	0	0	0	118.2	I667 I668 I724	I667-C722 WeakPolarHBondContact O-CB 3.42Å; I667-C722 PolarHBondContact O-SG 2.81Å; I668-C722 HydrophobicContact CB-CB 3.64Å; I668-C722 HydrophobicContact CD1-CB 3.57Å; I668-C722 HydrophobicContact CG1-CB 3.95Å; I668-C722 PolarHBondContact N-SG 2.6Å; I668-C722 VanDerWaalsContact O-CB 3.29Å; I668-C722 WeakPolarHBondContact O-CB 3.28Å; I668-C722 PolarHBondContact O-N 2.9Å; I668-C722 PolarHBondContact O-SG 2.83Å; C722-I724 PolarHBondContact SG-N 2.66Å
723	H	81.3	Confident	83	Confident	135 Å²	135	60.4 Å²	60.4	63%	0.625	32%	0.319	S	S	*	.			trans	70.8	36.8	-177.5	-29.3	-58.8	0	0	0	115.2	C719 R720	C719-H723 WeakPolarHBondContact O-CA 3.44Å; C719-H723 PolarHBondContact O-N 2.97Å; R720-H723 PolarHBondContact O-CE1 3.33Å
724	I	82.3	Confident	83.2	Confident	40 Å²	40	54.6 Å²	54.6	21%	0.205	29%	0.294	C	S	.	.			trans	-56.5	137.1	155.4	-91.6	-160.1	0	0	0	108.4	S666 S718 C719 C722 V726	S666-I724 VanDerWaalsContact C-CD1 3.44Å; S666-I724 VanDerWaalsContact O-CG1 3.29Å; S666-I724 WeakPolarHBondContact O-CG1 3.32Å; S718-I724 CarbonylContact C-O 3.41Å; S718-I724 WeakPolarHBondContact CA-O 3.4Å; S718-I724 WeakPolarHBondContact CB-O 3.36Å; C719-I724 PolarHBondContact N-O 3.32Å; C722-I724 PolarHBondContact SG-N 2.66Å; I724-V726 HydrophobicContact CG2-CG1 3.75Å
725	E	83.6	Confident	83.4	Confident	151 Å²	151	51.7 Å²	51.7	71%	0.706	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.5	165.5	-62.6	179.3	164	0	0	110.1
726	V	84.9	Confident	83.6	Confident	11 Å²	11	50.4 Å²	50.4	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	164.3	172.9	-73	0	0	0	0	110.9	P716 A717 I724 E731 L732	P716-V726 WeakPolarHBondContact CA-O 3.3Å; A717-V726 HydrophobicContact CB-CG2 4.35Å; A717-V726 PolarHBondContact N-O 3.19Å; A717-V726 VanDerWaalsContact O-CG2 3.22Å; A717-V726 WeakPolarHBondContact O-CG2 3.42Å; A717-V726 PolarHBondContact O-N 3.13Å; I724-V726 HydrophobicContact CG2-CG1 3.75Å; V726-E731 HydrophobicContact CB-CB 3.73Å; V726-E731 HydrophobicContact CG1-CB 4.12Å; V726-E731 HydrophobicContact CG2-CB 4.04Å; V726-L732 HydrophobicContact CG2-CB 3.8Å; V726-L732 HydrophobicContact CG2-CD1 4.1Å
727	D	82.8	Confident	83.5	Confident	45 Å²	45	45.2 Å²	45.2	24%	0.241	22%	0.223	C	C	.	.	S	Bend	trans	-84.5	-13.9	-168	-61.2	-8.9	0	0	0	113.9	S714 A715 E731 R894 R904	S714-D727 CarbonylContact C-O 3.34Å; S714-D727 VanDerWaalsContact CA-O 3.31Å; S714-D727 WeakPolarHBondContact CA-O 3.45Å; A715-D727 CarbonylContact C-O 3.36Å; A715-D727 VanDerWaalsContact C-O 3.29Å; A715-D727 PolarHBondContact N-O 2.9Å; A715-D727 CarbonylContact O-C 3.58Å; A715-D727 VanDerWaalsContact O-C 3.3Å; D727-E731 PolarHBondContact N-OE2 3.01Å; D727-R894 IonicContact OD1-CZ 2.94Å; D727-R894 IonicContact OD1-NH1 2.73Å; D727-R894 IonicContact OD1-NH2 3.94Å; D727-R894 PolarHBondContact OD1-NH2 3.07Å; D727-R894 IonicContact OD2-NH2 3.87Å; D727-R894 PolarHBondContact OD2-NH2 3.27Å; D727-R904 VanDerWaalsContact CB-NH1 3.29Å; D727-R904 WeakPolarHBondContact OD2-CD 3.25Å; D727-R904 IonicContact OD2-CZ 3.91Å; D727-R904 IonicContact OD2-NH1 3.73Å; D727-R904 PolarHBondContact OD2-NH1 3.49Å
728	N	87.8	Confident	83.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-159.7	171.9	178.2	63.5	30.2	0	0	0	113.3	G712 K713 A715 K730 E731 L732 V897 R904	G712-N728 PolarHBondContact O-ND2 3.01Å; K713-N728 WeakPolarHBondContact O-CB 3.46Å; A715-N728 WeakPolarHBondContact O-CA 3.28Å; A715-N728 PolarHBondContact O-N 3.4Å; N728-K730 VanDerWaalsContact C-N 3.34Å; N728-K730 PolarHBondContact O-N 2.72Å; N728-K730 PolarHBondContact OD1-N 2.99Å; N728-E731 PolarHBondContact O-N 2.85Å; N728-E731 WeakPolarHBondContact OD1-CB 3.45Å; N728-E731 WeakPolarHBondContact OD1-CG 3.35Å; N728-E731 PolarHBondContact OD1-N 3.14Å; N728-L732 PolarHBondContact O-N 3.18Å; N728-L732 VanDerWaalsContact O-N 3.1Å; N728-V897 PolarHBondContact ND2-O 3.27Å; N728-R904 PolarHBondContact ND2-NH2 3.26Å
729	L	84.3	Confident	82.8	Confident	82 Å²	82	47.1 Å²	47.1	43%	0.429	22%	0.222	S	C	.	.	H	α-helix	trans	-66.6	-30.8	178.1	-68.8	174.7	0	0	0	113.4	I710 A717 L732 H733	I710-L729 HydrophobicContact CG2-CB 4.02Å; A717-L729 HydrophobicContact CB-CD2 4.16Å; L729-L732 HydrophobicContact CD2-CD2 4.42Å; L729-L732 PolarHBondContact O-N 3.05Å; L729-H733 PolarHBondContact O-N 3.39Å; L729-H733 PolarHBondContact O-ND1 3.11Å
730	K	87.4	Confident	82.4	Confident	9 Å²	9	48.5 Å²	48.5	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-36.2	177.3	-167.8	168.6	167.8	176.1	0	111.5	L707 I710 N728 L734 D878 V897	L707-K730 HydrophobicContact CD2-CG 4.47Å; L707-K730 WeakPolarHBondContact O-CD 3.36Å; L707-K730 WeakPolarHBondContact O-CE 3.47Å; I710-K730 HydrophobicContact CG2-CB 4.1Å; N728-K730 VanDerWaalsContact C-N 3.34Å; N728-K730 PolarHBondContact O-N 2.72Å; N728-K730 PolarHBondContact OD1-N 2.99Å; K730-L734 WeakPolarHBondContact O-CB 3.48Å; K730-L734 PolarHBondContact O-N 3.25Å; K730-L734 VanDerWaalsContact O-N 3.09Å; K730-D878 IonicContact NZ-OD1 2.75Å; K730-D878 PolarHBondContact NZ-OD1 3.48Å; K730-D878 IonicContact NZ-OD2 2.72Å; K730-D878 PolarHBondContact NZ-OD2 2.86Å; K730-V897 VanDerWaalsContact C-CG2 3.5Å; K730-V897 HydrophobicContact CB-CG2 4.2Å; K730-V897 HydrophobicContact CG-CB 4.32Å; K730-V897 HydrophobicContact CG-CG2 3.88Å; K730-V897 WeakPolarHBondContact O-CG2 3.21Å
731	E	88.5	Confident	81.7	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-41.5	169.6	-78.5	172.6	-162.3	0	0	111.4	V726 D727 N728 H733 L734 H735 R894 F896 V897 R904	V726-E731 HydrophobicContact CB-CB 3.73Å; V726-E731 HydrophobicContact CG1-CB 4.12Å; V726-E731 HydrophobicContact CG2-CB 4.04Å; D727-E731 PolarHBondContact N-OE2 3.01Å; N728-E731 PolarHBondContact O-N 2.85Å; N728-E731 WeakPolarHBondContact OD1-CB 3.45Å; N728-E731 WeakPolarHBondContact OD1-CG 3.35Å; N728-E731 PolarHBondContact OD1-N 3.14Å; E731-H733 PolarHBondContact O-N 3.32Å; E731-L734 PolarHBondContact O-N 2.86Å; E731-H735 VanDerWaalsContact O-CB 3.31Å; E731-H735 WeakPolarHBondContact O-CB 3.2Å; E731-H735 PolarHBondContact O-N 2.81Å; E731-R894 IonicContact OE2-NH2 3.54Å; E731-R894 PolarHBondContact OE2-NH2 3.05Å; E731-R894 VanDerWaalsContact OE2-NH2 3.16Å; E731-F896 VanDerWaalsContact OE1-CA 3.25Å; E731-F896 WeakPolarHBondContact OE1-CA 3.36Å; E731-V897 HydrophobicContact CB-CG2 4.19Å; E731-V897 HydrophobicContact CG-CB 4.48Å; E731-V897 HydrophobicContact CG-CG2 3.52Å; E731-V897 PolarHBondContact OE1-N 2.73Å; E731-R904 IonicContact OE1-CZ 2.9Å; E731-R904 IonicContact OE1-NH1 2.63Å; E731-R904 PolarHBondContact OE1-NH1 2.87Å; E731-R904 IonicContact OE1-NH2 2.68Å; E731-R904 PolarHBondContact OE1-NH2 3.19Å; E731-R904 IonicContact OE2-NH1 3.22Å
732	L	85.6	Confident	80.6	Confident	22 Å²	22	46.4 Å²	46.4	12%	0.115	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-43	179.5	-173.5	63.3	0	0	0	111.8	A717 C719 V726 N728 L729 H735 L736	A717-L732 HydrophobicContact CB-CB 4.27Å; A717-L732 HydrophobicContact CB-CD2 3.91Å; C719-L732 HydrophobicContact CB-CD1 3.76Å; C719-L732 WeakPolarHBondContact SG-CD1 3.48Å; V726-L732 HydrophobicContact CG2-CB 3.8Å; V726-L732 HydrophobicContact CG2-CD1 4.1Å; N728-L732 PolarHBondContact O-N 3.18Å; N728-L732 VanDerWaalsContact O-N 3.1Å; L729-L732 HydrophobicContact CD2-CD2 4.42Å; L729-L732 PolarHBondContact O-N 3.05Å; L732-H735 PolarHBondContact O-N 3.35Å; L732-L736 HydrophobicContact CG-CD1 4.04Å; L732-L736 WeakPolarHBondContact O-CB 3.3Å; L732-L736 WeakPolarHBondContact O-CD1 3.45Å; L732-L736 VanDerWaalsContact O-CG 3.27Å; L732-L736 WeakPolarHBondContact O-CG 3.42Å; L732-L736 PolarHBondContact O-N 2.76Å
733	H	85.4	Confident	79.1	Confident	72 Å²	72	50.6 Å²	50.6	33%	0.333	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-37.8	176	-74.5	80.9	0	0	0	112.6	L707 I710 L729 E731 H735 L736 E737	L707-H733 HydrophobicContact CD2-CB 3.87Å; I710-H733 HydrophobicContact CD1-CB 3.67Å; I710-H733 VanDerWaalsContact CD1-CG 3.47Å; L729-H733 PolarHBondContact O-N 3.39Å; L729-H733 PolarHBondContact O-ND1 3.11Å; E731-H733 PolarHBondContact O-N 3.32Å; H733-H735 VanDerWaalsContact C-N 3.33Å; H733-H735 PolarHBondContact O-N 3.13Å; H733-L736 PolarHBondContact O-N 3.03Å; H733-E737 PolarHBondContact O-N 3.38Å
734	L	84	Confident	77.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-43.7	173.7	175.4	61.5	0	0	0	111.6	F703 L707 K730 E731 L738 F760 L895 V897	F703-L734 HydrophobicContact CZ-CD1 3.73Å; L707-L734 HydrophobicContact CD1-CB 4.38Å; L707-L734 HydrophobicContact CD1-CD1 3.97Å; L707-L734 HydrophobicContact CD2-CB 4.43Å; K730-L734 WeakPolarHBondContact O-CB 3.48Å; K730-L734 PolarHBondContact O-N 3.25Å; K730-L734 VanDerWaalsContact O-N 3.09Å; E731-L734 PolarHBondContact O-N 2.86Å; L734-L738 HydrophobicContact CD1-CD1 3.53Å; L734-L738 HydrophobicContact CD1-CG 4.01Å; L734-L738 HydrophobicContact CG-CD1 4.05Å; L734-L738 WeakPolarHBondContact O-CB 2.98Å; L734-L738 VanDerWaalsContact O-CG 3.3Å; L734-L738 WeakPolarHBondContact O-CG 3.49Å; L734-L738 PolarHBondContact O-N 3.49Å; L734-L738 VanDerWaalsContact O-N 3.12Å; L734-F760 HydrophobicContact CD1-CE1 4.04Å; L734-F760 HydrophobicContact CD1-CE2 4.34Å; L734-F760 HydrophobicContact CD1-CZ 3.63Å; L734-F760 HydrophobicContact CD2-CZ 4.22Å; L734-L895 HydrophobicContact CD2-CB 4.17Å; L734-L895 HydrophobicContact CD2-CD1 4.24Å; L734-L895 HydrophobicContact CG-CD1 4.33Å; L734-V897 HydrophobicContact CB-CG2 4.31Å; L734-V897 HydrophobicContact CD2-CB 4.39Å; L734-V897 HydrophobicContact CD2-CG1 3.65Å; L734-V897 HydrophobicContact CD2-CG2 3.8Å
735	H	83.5	Confident	75.9	Confident	9 Å²	9	53.7 Å²	53.7	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-40.2	175.6	172.1	70.4	0	0	0	112	C719 E731 L732 H733 E739 H740	C719-H735 PolarHBondContact SG-CD2 3.48Å; E731-H735 VanDerWaalsContact O-CB 3.31Å; E731-H735 WeakPolarHBondContact O-CB 3.2Å; E731-H735 PolarHBondContact O-N 2.81Å; L732-H735 PolarHBondContact O-N 3.35Å; H733-H735 VanDerWaalsContact C-N 3.33Å; H733-H735 PolarHBondContact O-N 3.13Å; H735-E739 VanDerWaalsContact CE1-CD 3.41Å; H735-E739 IonicContact CE1-OE1 3.27Å; H735-E739 PolarHBondContact CE1-OE1 2.71Å; H735-E739 IonicContact CE1-OE2 3.72Å; H735-E739 PolarHBondContact CE1-OE2 2.8Å; H735-E739 IonicContact CG-OE1 2.82Å; H735-E739 IonicContact ND1-OE1 2.82Å; H735-E739 PolarHBondContact ND1-OE1 3.05Å; H735-E739 IonicContact ND1-OE2 3.13Å; H735-E739 PolarHBondContact ND1-OE2 3.22Å; H735-E739 WeakPolarHBondContact O-CB 3.49Å; H735-E739 PolarHBondContact O-N 3.42Å; H735-H740 AromaticContact CD2-NE2 3.51Å; H735-H740 AromaticContact CE1-CE1 3.97Å; H735-H740 AromaticContact CE1-NE2 3.28Å; H735-H740 PolarHBondContact CE1-NE2 2.79Å; H735-H740 VanDerWaalsContact CE1-NE2 3.28Å; H735-H740 AromaticContact ND1-NE2 3.88Å; H735-H740 AromaticContact NE2-CD2 3.9Å; H735-H740 AromaticContact NE2-CE1 3.98Å; H735-H740 AromaticContact NE2-NE2 2.99Å; H735-H740 PolarHBondContact NE2-NE2 2.97Å
736	L	82.4	Confident	74.5	Confident	23 Å²	23	53 Å²	53	12%	0.12	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-48.6	173.4	-79	161.8	0	0	0	112.8	L732 H733 H740 L741	L732-L736 HydrophobicContact CG-CD1 4.04Å; L732-L736 WeakPolarHBondContact O-CB 3.3Å; L732-L736 WeakPolarHBondContact O-CD1 3.45Å; L732-L736 VanDerWaalsContact O-CG 3.27Å; L732-L736 WeakPolarHBondContact O-CG 3.42Å; L732-L736 PolarHBondContact O-N 2.76Å; H733-L736 PolarHBondContact O-N 3.03Å; L736-H740 HydrophobicContact CD2-CB 4.34Å; L736-H740 CarbonylContact O-C 3.4Å; L736-H740 WeakPolarHBondContact O-CA 3.39Å; L736-H740 WeakPolarHBondContact O-CB 3.33Å; L736-H740 PolarHBondContact O-N 2.95Å; L736-L741 HydrophobicContact CB-CD1 3.93Å; L736-L741 HydrophobicContact CB-CG 4.31Å; L736-L741 PolarHBondContact O-N 3.24Å
737	E	77.6	Confident	73.3	Confident	15 Å²	15	54.3 Å²	54.3	7%	0.07	29%	0.288	C	S	.	.	I	π-helix	trans	-69.2	-43.4	-177.7	-170.8	62.1	-162.5	0	0	112.3	F703 H733 N742 N745 I747	F703-E737 HydrophobicContact CD2-CB 4.47Å; F703-E737 HydrophobicContact CD2-CG 3.82Å; F703-E737 HydrophobicContact CE2-CB 3.84Å; F703-E737 HydrophobicContact CE2-CG 3.6Å; H733-E737 PolarHBondContact O-N 3.38Å; E737-N742 WeakPolarHBondContact OE1-CB 3.16Å; E737-N742 PolarHBondContact OE1-ND2 2.94Å; E737-N742 PolarHBondContact OE2-ND2 3.28Å; E737-N745 PolarHBondContact OE1-ND2 3.29Å; E737-I747 HydrophobicContact CG-CD1 4.03Å
738	L	76.2	Confident	72.3	Confident	51 Å²	51	55.4 Å²	55.4	27%	0.267	29%	0.291	S	S	.	.	I	π-helix	trans	-77	-25.8	-176.3	-69.1	179.7	0	0	0	114.8	L734 F760 L895	L734-L738 HydrophobicContact CD1-CD1 3.53Å; L734-L738 HydrophobicContact CD1-CG 4.01Å; L734-L738 HydrophobicContact CG-CD1 4.05Å; L734-L738 WeakPolarHBondContact O-CB 2.98Å; L734-L738 VanDerWaalsContact O-CG 3.3Å; L734-L738 WeakPolarHBondContact O-CG 3.49Å; L734-L738 PolarHBondContact O-N 3.49Å; L734-L738 VanDerWaalsContact O-N 3.12Å; L738-F760 HydrophobicContact CD1-CE1 4.25Å; L738-L895 HydrophobicContact CD1-CD1 3.68Å
739	E	75.3	Confident	71.6	Confident	80 Å²	80	59.8 Å²	59.8	37%	0.374	31%	0.312	S	S	.	.	I	π-helix	trans	-118.8	-22	-172.8	-60.5	176.4	-132.6	0	0	113.7	I667 H735	I667-E739 VanDerWaalsContact CA-OE2 3.26Å; I667-E739 WeakPolarHBondContact CA-OE2 3.34Å; I667-E739 WeakPolarHBondContact CG1-OE2 3.23Å; I667-E739 HydrophobicContact CG2-CB 4.48Å; H735-E739 VanDerWaalsContact CE1-CD 3.41Å; H735-E739 IonicContact CE1-OE1 3.27Å; H735-E739 PolarHBondContact CE1-OE1 2.71Å; H735-E739 IonicContact CE1-OE2 3.72Å; H735-E739 PolarHBondContact CE1-OE2 2.8Å; H735-E739 IonicContact CG-OE1 2.82Å; H735-E739 IonicContact ND1-OE1 2.82Å; H735-E739 PolarHBondContact ND1-OE1 3.05Å; H735-E739 IonicContact ND1-OE2 3.13Å; H735-E739 PolarHBondContact ND1-OE2 3.22Å; H735-E739 WeakPolarHBondContact O-CB 3.49Å; H735-E739 PolarHBondContact O-N 3.42Å
740	H	76.6	Confident	71.2	Confident	31 Å²	31	57.8 Å²	57.8	14%	0.144	30%	0.301	C	S	.	.	I	π-helix	trans	-128.1	-33.6	-167.9	-49.7	-38.8	0	0	0	116.4	I668 G669 Y721 H735 L736	I668-H740 WeakPolarHBondContact CA-CE1 3.34Å; I668-H740 PolarHBondContact N-CE1 3.39Å; I668-H740 PolarHBondContact N-NE2 2.94Å; G669-H740 WeakPolarHBondContact CA-CD2 3.38Å; G669-H740 PolarHBondContact N-CD2 2.81Å; G669-H740 PolarHBondContact N-ND1 3.13Å; G669-H740 PolarHBondContact N-NE2 2.85Å; Y721-H740 HydrophobicContact CE2-CB 4.41Å; H735-H740 AromaticContact CD2-NE2 3.51Å; H735-H740 AromaticContact CE1-CE1 3.97Å; H735-H740 AromaticContact CE1-NE2 3.28Å; H735-H740 PolarHBondContact CE1-NE2 2.79Å; H735-H740 VanDerWaalsContact CE1-NE2 3.28Å; H735-H740 AromaticContact ND1-NE2 3.88Å; H735-H740 AromaticContact NE2-CD2 3.9Å; H735-H740 AromaticContact NE2-CE1 3.98Å; H735-H740 AromaticContact NE2-NE2 2.99Å; H735-H740 PolarHBondContact NE2-NE2 2.97Å; L736-H740 HydrophobicContact CD2-CB 4.34Å; L736-H740 CarbonylContact O-C 3.4Å; L736-H740 WeakPolarHBondContact O-CA 3.39Å; L736-H740 WeakPolarHBondContact O-CB 3.33Å; L736-H740 PolarHBondContact O-N 2.95Å
741	L	65.3	Low	70.9	Confident	93 Å²	93	59.4 Å²	59.4	49%	0.487	32%	0.32	S	S	.	.	I	π-helix	trans	-97.5	-43.7	-169.1	-65.7	174.7	0	0	0	114.2	L736	L736-L741 HydrophobicContact CB-CD1 3.93Å; L736-L741 HydrophobicContact CB-CG 4.31Å; L736-L741 PolarHBondContact O-N 3.24Å
742	N	55.4	Low	70.8	Confident	71 Å²	71	59.4 Å²	59.4	38%	0.38	32%	0.321	S	S	.	.			trans	-138.1	79.3	-176.8	-73.1	-64.4	0	0	0	112.9	E737 D744 N745	E737-N742 WeakPolarHBondContact OE1-CB 3.16Å; E737-N742 PolarHBondContact OE1-ND2 2.94Å; E737-N742 PolarHBondContact OE2-ND2 3.28Å; N742-D744 PolarHBondContact O-N 2.96Å; N742-N745 HydrophobicContact CB-CB 3.67Å; N742-N745 VanDerWaalsContact CB-ND2 3.28Å; N742-N745 WeakPolarHBondContact CB-ND2 3.37Å; N742-N745 PolarHBondContact ND2-ND2 2.82Å; N742-N745 PolarHBondContact O-N 3.17Å; N742-N745 VanDerWaalsContact O-N 3.13Å
743	P	51.3	Low	70.3	Confident	119 Å²	119	65.5 Å²	65.5	77%	0.773	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21	171.4	27.2	-35.3	0	0	0	113.4
744	D	44.5	Very low	70.1	Confident	158 Å²	158	65 Å²	65	85%	0.845	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.7	176.1	-73.9	-45.8	0	0	0	114	N742 D746	N742-D744 PolarHBondContact O-N 2.96Å; D744-D746 PolarHBondContact O-N 2.95Å
745	N	52.1	Low	70.2	Confident	81 Å²	81	66.3 Å²	66.3	43%	0.433	37%	0.366	S	S	.	.			trans	-78	118.1	-179.8	-101.4	-16.4	0	0	0	111.6	E737 N742 I747	E737-N745 PolarHBondContact OE1-ND2 3.29Å; N742-N745 HydrophobicContact CB-CB 3.67Å; N742-N745 VanDerWaalsContact CB-ND2 3.28Å; N742-N745 WeakPolarHBondContact CB-ND2 3.37Å; N742-N745 PolarHBondContact ND2-ND2 2.82Å; N742-N745 PolarHBondContact O-N 3.17Å; N742-N745 VanDerWaalsContact O-N 3.13Å; N745-I747 HydrophobicContact CB-CD1 4.1Å; N745-I747 HydrophobicContact CB-CG1 4.17Å; N745-I747 PolarHBondContact O-N 3.41Å
746	D	54	Low	70.3	Confident	137 Å²	137	66.3 Å²	66.3	73%	0.733	37%	0.369	S	S	*	.			trans	-73.7	44.1	179.7	-120.1	-20.4	0	0	0	112.8	D744 E748	D744-D746 PolarHBondContact O-N 2.95Å; D746-E748 PolarHBondContact O-N 3.12Å; D746-E748 VanDerWaalsContact O-N 3.07Å
747	I	60.6	Low	70.7	Confident	39 Å²	39	66.2 Å²	66.2	20%	0.2	37%	0.366	C	S	.	.			trans	-69.6	103	176.2	-64.7	165.7	0	0	0	108.3	F703 E737 N745 Q749 F760	F703-I747 HydrophobicContact CB-CD1 4.41Å; F703-I747 HydrophobicContact CD1-CD1 4.09Å; F703-I747 HydrophobicContact CD1-CG1 4.44Å; F703-I747 HydrophobicContact CD1-CG2 3.98Å; F703-I747 HydrophobicContact CD2-CD1 3.93Å; F703-I747 HydrophobicContact CE1-CD1 4.26Å; F703-I747 HydrophobicContact CE1-CG2 3.84Å; F703-I747 HydrophobicContact CE2-CD1 4.1Å; F703-I747 HydrophobicContact CG-CD1 3.9Å; F703-I747 HydrophobicContact CZ-CD1 4.24Å; E737-I747 HydrophobicContact CG-CD1 4.03Å; N745-I747 HydrophobicContact CB-CD1 4.1Å; N745-I747 HydrophobicContact CB-CG1 4.17Å; N745-I747 PolarHBondContact O-N 3.41Å; I747-Q749 PolarHBondContact O-N 3.46Å; I747-F760 HydrophobicContact CG2-CD1 4.07Å
748	E	60.5	Low	71.1	Confident	67 Å²	67	65.8 Å²	65.8	31%	0.313	37%	0.365	S	S	.	.			trans	-65	91.1	176.4	-69.1	-162.5	172.9	0	0	111.7	D746 R765	D746-E748 PolarHBondContact O-N 3.12Å; D746-E748 VanDerWaalsContact O-N 3.07Å; E748-R765 IonicContact OE1-CZ 3.64Å; E748-R765 IonicContact OE1-NH1 3.74Å; E748-R765 PolarHBondContact OE1-NH1 2.68Å; E748-R765 IonicContact OE1-NH2 3.88Å; E748-R765 PolarHBondContact OE1-NH2 3.21Å; E748-R765 IonicContact OE2-CZ 2.76Å; E748-R765 IonicContact OE2-NE 3.16Å; E748-R765 PolarHBondContact OE2-NE 3.07Å; E748-R765 IonicContact OE2-NH1 3.81Å; E748-R765 PolarHBondContact OE2-NH1 3.49Å; E748-R765 IonicContact OE2-NH2 3.61Å; E748-R765 PolarHBondContact OE2-NH2 3.23Å; E748-R765 VanDerWaalsContact OE2-NH2 3.08Å
749	Q	73	Confident	71.6	Confident	93 Å²	93	63.8 Å²	63.8	44%	0.435	35%	0.354	S	S	.	.			trans	-80.7	120.1	170.6	-167.7	-171.2	43.7	0	0	110.3	I747 V758 F760	I747-Q749 PolarHBondContact O-N 3.46Å; Q749-V758 HydrophobicContact CG-CG1 3.52Å; Q749-F760 HydrophobicContact CB-CE1 4.46Å; Q749-F760 HydrophobicContact CG-CD1 4.34Å; Q749-F760 HydrophobicContact CG-CE1 3.91Å
750	L	75.5	Confident	71.8	Confident	40 Å²	40	60.5 Å²	60.5	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	110.3	-174.5	-69.2	168.4	0	0	0	110.4	F759 R765 L768	L750-F759 HydrophobicContact CB-CB 4.44Å; L750-F759 PolarHBondContact N-O 3.25Å; L750-F759 WeakPolarHBondContact O-CD2 3.25Å; L750-F759 PolarHBondContact O-N 3.46Å; L750-R765 HydrophobicContact CD1-CB 4.2Å; L750-R765 HydrophobicContact CD1-CG 3.42Å; L750-R765 VanDerWaalsContact CD1-CG 3.42Å; L750-L768 HydrophobicContact CB-CD2 4Å
751	G	81.6	Confident	71.6	Confident	42 Å²	42	59.5 Å²	59.5	43%	0.433	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.3	-174.4	0	0	0	0	0	114.4	R757	G751-R757 CarbonylContact C-O 2.93Å; G751-R757 WeakPolarHBondContact CA-O 3.4Å
752	C	86.4	Confident	71.6	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.027	34%	0.344	C	S	.	.			trans	-79	117.6	166.3	-177.3	0	0	0	0	110.7	A754 C755 G756 R757 L768 H771 H776	C752-A754 VanDerWaalsContact C-N 3.27Å; C752-A754 PolarHBondContact O-N 3.18Å; C752-C755 VanDerWaalsContact SG-SG 3.68Å; C752-G756 WeakPolarHBondContact O-CA 3.48Å; C752-G756 PolarHBondContact O-N 3.03Å; C752-R757 HydrophobicContact CB-CB 4.36Å; C752-R757 PolarHBondContact N-O 2.99Å; C752-L768 HydrophobicContact CB-CD1 3.92Å; C752-H771 WeakPolarHBondContact CB-NE2 3.5Å; C752-H771 PolarHBondContact SG-NE2 3.25Å; C752-H776 PolarHBondContact SG-CD2 3.28Å; C752-H776 PolarHBondContact SG-NE2 3.44Å
753	Q	75.8	Confident	72.3	Confident	151 Å²	151	56.2 Å²	56.2	71%	0.706	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.3	-174.8	-56.5	-170.5	13.7	0	0	113.9	R540	R540-Q753 VanDerWaalsContact NH2-NE2 3.17Å
754	A	80.2	Confident	73.5	Confident	62 Å²	62	50.5 Å²	50.5	51%	0.512	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-29.2	-177.9	0	0	0	0	0	114	C752	C752-A754 VanDerWaalsContact C-N 3.27Å; C752-A754 PolarHBondContact O-N 3.18Å
755	C	86.6	Confident	75	Confident	26 Å²	26	49.8 Å²	49.8	18%	0.176	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-3.8	-178.2	67.9	0	0	0	0	115	C752 R757 H771 H776 F905	C752-C755 VanDerWaalsContact SG-SG 3.68Å; C755-R757 VanDerWaalsContact C-N 3.3Å; C755-R757 PolarHBondContact O-N 3.17Å; C755-H771 PolarHBondContact SG-CE1 3.13Å; C755-H771 PolarHBondContact SG-NE2 3.09Å; C755-H776 PolarHBondContact SG-NE2 3.43Å; C755-F905 WeakPolarHBondContact O-CE1 3.47Å; C755-F905 WeakPolarHBondContact O-CZ 3.27Å
756	G	85.1	Confident	76.4	Confident	10 Å²	10	50.1 Å²	50.1	10%	0.103	28%	0.276	C	S	.	.			trans	81.5	-5.8	178.8	0	0	0	0	0	115.5	C752 Y887 C888	C752-G756 WeakPolarHBondContact O-CA 3.48Å; C752-G756 PolarHBondContact O-N 3.03Å; G756-Y887 CarbonylContact O-C 3.55Å; G756-Y887 WeakPolarHBondContact O-CA 3.47Å; G756-C888 WeakPolarHBondContact CA-O 3.36Å; G756-C888 PolarHBondContact O-N 3.35Å
757	R	90.5	Very high	77.8	Confident	20 Å²	20	43.9 Å²	43.9	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	140.9	178.7	-77.4	178.5	171.6	-157.5	-7	112.7	G751 C752 C755 F759 E874 A886 Y887	G751-R757 CarbonylContact C-O 2.93Å; G751-R757 WeakPolarHBondContact CA-O 3.4Å; C752-R757 HydrophobicContact CB-CB 4.36Å; C752-R757 PolarHBondContact N-O 2.99Å; C755-R757 VanDerWaalsContact C-N 3.3Å; C755-R757 PolarHBondContact O-N 3.17Å; R757-F759 HydrophobicContact CB-CE2 4.1Å; R757-F759 HydrophobicContact CB-CZ 4.27Å; R757-E874 IonicContact CZ-OE1 3.77Å; R757-E874 IonicContact CZ-OE2 3.44Å; R757-E874 IonicContact NH1-OE1 2.76Å; R757-E874 PolarHBondContact NH1-OE1 3.49Å; R757-E874 IonicContact NH1-OE2 2.7Å; R757-E874 PolarHBondContact NH1-OE2 3.09Å; R757-E874 IonicContact NH2-OE2 2.68Å; R757-E874 PolarHBondContact NH2-OE2 3.17Å; R757-A886 WeakPolarHBondContact CA-O 3.14Å; R757-Y887 HydrophobicContact CG-CD1 3.88Å; R757-Y887 HydrophobicContact CG-CE1 3.51Å; R757-Y887 HydrophobicContact CG-CE2 4.29Å; R757-Y887 HydrophobicContact CG-CG 4.45Å; R757-Y887 PolarHBondContact NE-OH 3.35Å; R757-Y887 PolarHBondContact NH2-OH 3.22Å
758	V	87.5	Confident	79	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	178.2	-179.6	0	0	0	0	109.8	Q749 F760 A886 C888 L895	Q749-V758 HydrophobicContact CG-CG1 3.52Å; V758-F760 HydrophobicContact CB-CE2 4.48Å; V758-F760 HydrophobicContact CB-CZ 4.45Å; V758-F760 HydrophobicContact CG1-CD1 4.35Å; V758-F760 HydrophobicContact CG1-CD2 4.35Å; V758-F760 HydrophobicContact CG1-CE1 3.83Å; V758-F760 HydrophobicContact CG1-CE2 3.83Å; V758-F760 HydrophobicContact CG1-CZ 3.53Å; V758-A886 HydrophobicContact CB-CB 3.94Å; V758-A886 PolarHBondContact N-O 3.25Å; V758-C888 HydrophobicContact CG2-CB 3.6Å; V758-L895 HydrophobicContact CG2-CD2 4.08Å
759	F	86.4	Confident	80.1	Confident	10 Å²	10	44.2 Å²	44.2	4%	0.044	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.3	174.7	-55.7	-87.8	0	0	0	108.9	L750 R757 D767 L768 H771	L750-F759 HydrophobicContact CB-CB 4.44Å; L750-F759 PolarHBondContact N-O 3.25Å; L750-F759 WeakPolarHBondContact O-CD2 3.25Å; L750-F759 PolarHBondContact O-N 3.46Å; R757-F759 HydrophobicContact CB-CE2 4.1Å; R757-F759 HydrophobicContact CB-CZ 4.27Å; F759-D767 HydrophobicContact CD1-CB 3.47Å; F759-D767 VanDerWaalsContact CD1-CB 3.47Å; F759-D767 HydrophobicContact CE1-CB 3.87Å; F759-D767 HydrophobicContact CG-CB 4.26Å; F759-L768 HydrophobicContact CD2-CB 3.74Å; F759-L768 HydrophobicContact CD2-CD1 3.9Å; F759-L768 HydrophobicContact CD2-CG 4.37Å; F759-L768 HydrophobicContact CE2-CB 4.11Å; F759-L768 HydrophobicContact CE2-CD1 3.73Å; F759-L768 HydrophobicContact CG-CB 4.27Å; F759-H771 HydrophobicContact CE1-CB 4.34Å; F759-H771 HydrophobicContact CE2-CB 4.2Å; F759-H771 AromaticContact CE2-CD2 3.81Å; F759-H771 HydrophobicContact CZ-CB 3.55Å; F759-H771 AromaticContact CZ-CD2 3.81Å; F759-H771 AromaticContact CZ-CG 3.63Å
760	F	79.7	Confident	80.6	Confident	11 Å²	11	40.1 Å²	40.1	5%	0.048	23%	0.23	C	C	.	.			trans	-119.3	162.4	-177	-62.8	-77.5	0	0	0	111.8	F703 L734 L738 I747 Q749 V758 G764 I884 A886	F703-F760 HydrophobicContact CE1-CB 4.28Å; F703-F760 AromaticContact CE1-CD1 3.81Å; F703-F760 HydrophobicContact CE1-CD1 3.81Å; F703-F760 HydrophobicContact CE1-CE1 4.25Å; F703-F760 HydrophobicContact CE1-CG 4.02Å; L734-F760 HydrophobicContact CD1-CE1 4.04Å; L734-F760 HydrophobicContact CD1-CE2 4.34Å; L734-F760 HydrophobicContact CD1-CZ 3.63Å; L734-F760 HydrophobicContact CD2-CZ 4.22Å; L738-F760 HydrophobicContact CD1-CE1 4.25Å; I747-F760 HydrophobicContact CG2-CD1 4.07Å; Q749-F760 HydrophobicContact CB-CE1 4.46Å; Q749-F760 HydrophobicContact CG-CD1 4.34Å; Q749-F760 HydrophobicContact CG-CE1 3.91Å; V758-F760 HydrophobicContact CB-CE2 4.48Å; V758-F760 HydrophobicContact CB-CZ 4.45Å; V758-F760 HydrophobicContact CG1-CD1 4.35Å; V758-F760 HydrophobicContact CG1-CD2 4.35Å; V758-F760 HydrophobicContact CG1-CE1 3.83Å; V758-F760 HydrophobicContact CG1-CE2 3.83Å; V758-F760 HydrophobicContact CG1-CZ 3.53Å; F760-G764 PolarHBondContact O-N 3.12Å; F760-I884 HydrophobicContact CB-CD1 4.43Å; F760-I884 HydrophobicContact CD2-CB 4.07Å; F760-I884 HydrophobicContact CD2-CD1 3.88Å; F760-I884 HydrophobicContact CD2-CG2 4.36Å; F760-I884 HydrophobicContact CE2-CB 4.46Å; F760-I884 HydrophobicContact CE2-CD1 4.47Å; F760-I884 HydrophobicContact CE2-CG2 4.25Å; F760-I884 HydrophobicContact CG-CD1 4.37Å; F760-A886 HydrophobicContact CD2-CB 4.46Å; F760-A886 HydrophobicContact CE2-CB 3.58Å; F760-A886 HydrophobicContact CZ-CB 4.33Å
761	G	71	Confident	81.3	Confident	9 Å²	9	38.3 Å²	38.3	9%	0.093	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-173.6	167	0	0	0	0	0	114.8	G763 G764	G761-G763 PolarHBondContact O-N 3.11Å; G761-G763 VanDerWaalsContact O-N 3.14Å; G761-G764 PolarHBondContact O-N 3.29Å
762	S	66.2	Low	81.5	Confident	92 Å²	92	39.6 Å²	39.6	64%	0.643	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.7	-172.7	59.8	0	0	0	0	114.1
763	G	69.5	Low	81.4	Confident	3 Å²	3	46.1 Å²	46.1	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-24.7	173	0	0	0	0	0	114.8	G761 R765 I766 D767	G761-G763 PolarHBondContact O-N 3.11Å; G761-G763 VanDerWaalsContact O-N 3.14Å; G763-R765 PolarHBondContact O-N 3.31Å; G763-I766 WeakPolarHBondContact O-CA 3.47Å; G763-I766 WeakPolarHBondContact O-CB 3.35Å; G763-I766 PolarHBondContact O-N 3.45Å; G763-D767 PolarHBondContact O-N 3.41Å
764	G	76.4	Confident	81.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-29.2	-162.5	0	0	0	0	0	115.3	F760 G761 L768	F760-G764 PolarHBondContact O-N 3.12Å; G761-G764 PolarHBondContact O-N 3.29Å; G764-L768 VanDerWaalsContact O-CB 3.24Å; G764-L768 WeakPolarHBondContact O-CB 3.43Å; G764-L768 PolarHBondContact O-N 3.24Å
765	R	77.4	Confident	82	Confident	142 Å²	142	38 Å²	38	54%	0.536	19%	0.193	S	C	.	.	H	α-helix	trans	-64.3	-40.5	172.3	-71.2	-169.4	172.9	109.7	7.2	112.9	E748 L750 G763 I769	E748-R765 IonicContact OE1-CZ 3.64Å; E748-R765 IonicContact OE1-NH1 3.74Å; E748-R765 PolarHBondContact OE1-NH1 2.68Å; E748-R765 IonicContact OE1-NH2 3.88Å; E748-R765 PolarHBondContact OE1-NH2 3.21Å; E748-R765 IonicContact OE2-CZ 2.76Å; E748-R765 IonicContact OE2-NE 3.16Å; E748-R765 PolarHBondContact OE2-NE 3.07Å; E748-R765 IonicContact OE2-NH1 3.81Å; E748-R765 PolarHBondContact OE2-NH1 3.49Å; E748-R765 IonicContact OE2-NH2 3.61Å; E748-R765 PolarHBondContact OE2-NH2 3.23Å; E748-R765 VanDerWaalsContact OE2-NH2 3.08Å; L750-R765 HydrophobicContact CD1-CB 4.2Å; L750-R765 HydrophobicContact CD1-CG 3.42Å; L750-R765 VanDerWaalsContact CD1-CG 3.42Å; G763-R765 PolarHBondContact O-N 3.31Å; R765-I769 WeakPolarHBondContact O-CB 3.49Å; R765-I769 WeakPolarHBondContact O-CD1 3.1Å; R765-I769 WeakPolarHBondContact O-CG1 3.47Å; R765-I769 PolarHBondContact O-N 2.9Å; R765-I769 VanDerWaalsContact O-N 3.09Å
766	I	80.6	Confident	81.9	Confident	88 Å²	88	40.5 Å²	40.5	45%	0.451	20%	0.202	S	C	.	.	H	α-helix	trans	-72.2	-41.9	-179.8	-59.8	173.4	0	0	0	109.4	G763 I769 G770 R822	G763-I766 WeakPolarHBondContact O-CA 3.47Å; G763-I766 WeakPolarHBondContact O-CB 3.35Å; G763-I766 PolarHBondContact O-N 3.45Å; I766-I769 PolarHBondContact O-N 3.37Å; I766-G770 PolarHBondContact O-N 3.32Å; I766-R822 HydrophobicContact CG2-CB 4.2Å
767	D	84.1	Confident	81.6	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.032	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-44.1	179.6	-61.1	-48.4	0	0	0	111.7	F759 G763 G770 H771 S820 R822	F759-D767 HydrophobicContact CD1-CB 3.47Å; F759-D767 VanDerWaalsContact CD1-CB 3.47Å; F759-D767 HydrophobicContact CE1-CB 3.87Å; F759-D767 HydrophobicContact CG-CB 4.26Å; G763-D767 PolarHBondContact O-N 3.41Å; D767-G770 PolarHBondContact O-N 3.36Å; D767-H771 VanDerWaalsContact O-CB 3.25Å; D767-H771 WeakPolarHBondContact O-CB 3.48Å; D767-H771 PolarHBondContact O-N 3.49Å; D767-S820 WeakPolarHBondContact OD1-CB 3.28Å; D767-S820 PolarHBondContact OD1-OG 3.4Å; D767-R822 VanDerWaalsContact OD2-CD 3.3Å; D767-R822 WeakPolarHBondContact OD2-CD 3.37Å; D767-R822 IonicContact OD2-NE 3.17Å; D767-R822 PolarHBondContact OD2-NE 2.88Å
768	L	84.6	Confident	80.4	Confident	26 Å²	26	51.8 Å²	51.8	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-43.5	172.8	178	61.5	0	0	0	112.6	L750 C752 F759 G764 H771 L772	L750-L768 HydrophobicContact CB-CD2 4Å; C752-L768 HydrophobicContact CB-CD1 3.92Å; F759-L768 HydrophobicContact CD2-CB 3.74Å; F759-L768 HydrophobicContact CD2-CD1 3.9Å; F759-L768 HydrophobicContact CD2-CG 4.37Å; F759-L768 HydrophobicContact CE2-CB 4.11Å; F759-L768 HydrophobicContact CE2-CD1 3.73Å; F759-L768 HydrophobicContact CG-CB 4.27Å; G764-L768 VanDerWaalsContact O-CB 3.24Å; G764-L768 WeakPolarHBondContact O-CB 3.43Å; G764-L768 PolarHBondContact O-N 3.24Å; L768-H771 PolarHBondContact O-N 3.14Å; L768-L772 HydrophobicContact CD1-CD1 3.9Å; L768-L772 HydrophobicContact CD1-CG 3.93Å; L768-L772 HydrophobicContact CG-CD1 3.9Å; L768-L772 HydrophobicContact CG-CG 4.36Å; L768-L772 WeakPolarHBondContact O-CB 3.41Å; L768-L772 VanDerWaalsContact O-CG 3.3Å; L768-L772 WeakPolarHBondContact O-CG 3.4Å; L768-L772 PolarHBondContact O-N 3.4Å
769	I	83.5	Confident	79.7	Confident	87 Å²	87	56.7 Å²	56.7	45%	0.446	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-40	178.7	-72.3	167.2	0	0	0	111	R765 I766 R773	R765-I769 WeakPolarHBondContact O-CB 3.49Å; R765-I769 WeakPolarHBondContact O-CD1 3.1Å; R765-I769 WeakPolarHBondContact O-CG1 3.47Å; R765-I769 PolarHBondContact O-N 2.9Å; R765-I769 VanDerWaalsContact O-N 3.09Å; I766-I769 PolarHBondContact O-N 3.37Å; I769-R773 VanDerWaalsContact O-CG 3.29Å; I769-R773 WeakPolarHBondContact O-CG 3.48Å; I769-R773 PolarHBondContact O-N 3.47Å
770	G	84.7	Confident	79	Confident	8 Å²	8	57.2 Å²	57.2	8%	0.082	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-51	173.4	0	0	0	0	0	111.5	I766 D767 L772 R773 T774 S819	I766-G770 PolarHBondContact O-N 3.32Å; D767-G770 PolarHBondContact O-N 3.36Å; G770-L772 PolarHBondContact O-N 2.86Å; G770-R773 PolarHBondContact O-N 2.81Å; G770-T774 WeakPolarHBondContact O-CB 3.33Å; G770-T774 WeakPolarHBondContact O-CG2 3.29Å; G770-T774 PolarHBondContact O-N 2.93Å; G770-T774 PolarHBondContact O-OG1 3.12Å; G770-S819 CarbonylContact C-O 3.57Å; G770-S819 WeakPolarHBondContact CA-O 3.35Å
771	H	88.6	Confident	78.6	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-57.3	-44.8	178.4	167.4	63.5	0	0	0	113.1	C752 C755 F759 D767 L768 R773 T774 L775 H776 S819	C752-H771 WeakPolarHBondContact CB-NE2 3.5Å; C752-H771 PolarHBondContact SG-NE2 3.25Å; C755-H771 PolarHBondContact SG-CE1 3.13Å; C755-H771 PolarHBondContact SG-NE2 3.09Å; F759-H771 HydrophobicContact CE1-CB 4.34Å; F759-H771 HydrophobicContact CE2-CB 4.2Å; F759-H771 AromaticContact CE2-CD2 3.81Å; F759-H771 HydrophobicContact CZ-CB 3.55Å; F759-H771 AromaticContact CZ-CD2 3.81Å; F759-H771 AromaticContact CZ-CG 3.63Å; D767-H771 VanDerWaalsContact O-CB 3.25Å; D767-H771 WeakPolarHBondContact O-CB 3.48Å; D767-H771 PolarHBondContact O-N 3.49Å; L768-H771 PolarHBondContact O-N 3.14Å; H771-R773 PolarHBondContact O-N 3.38Å; H771-T774 WeakPolarHBondContact CA-OG1 3.47Å; H771-T774 PolarHBondContact O-N 2.99Å; H771-T774 PolarHBondContact O-OG1 2.98Å; H771-L775 VanDerWaalsContact ND1-CD1 3.28Å; H771-L775 WeakPolarHBondContact ND1-CD1 3.45Å; H771-L775 WeakPolarHBondContact O-CB 3.41Å; H771-L775 PolarHBondContact O-N 3.43Å; H771-H776 AromaticContact CE1-CD2 3.73Å; H771-H776 AromaticContact CE1-NE2 3.48Å; H771-H776 PolarHBondContact CE1-NE2 3.18Å; H771-H776 AromaticContact NE2-CD2 3.41Å; H771-H776 PolarHBondContact NE2-CD2 2.95Å; H771-H776 AromaticContact NE2-NE2 3.31Å; H771-H776 PolarHBondContact NE2-NE2 3.44Å; H771-S819 PolarHBondContact N-O 3.37Å
772	L	85.9	Confident	78.7	Confident	68 Å²	68	70 Å²	70	36%	0.356	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-40.4	177.8	-74.2	169.3	0	0	0	112.1	L768 G770 H776 Q777	L768-L772 HydrophobicContact CD1-CD1 3.9Å; L768-L772 HydrophobicContact CD1-CG 3.93Å; L768-L772 HydrophobicContact CG-CD1 3.9Å; L768-L772 HydrophobicContact CG-CG 4.36Å; L768-L772 WeakPolarHBondContact O-CB 3.41Å; L768-L772 VanDerWaalsContact O-CG 3.3Å; L768-L772 WeakPolarHBondContact O-CG 3.4Å; L768-L772 PolarHBondContact O-N 3.4Å; G770-L772 PolarHBondContact O-N 2.86Å; L772-H776 HydrophobicContact CD2-CB 4.39Å; L772-H776 CarbonylContact O-C 3.41Å; L772-H776 VanDerWaalsContact O-C 3.27Å; L772-H776 WeakPolarHBondContact O-CA 3.19Å; L772-H776 WeakPolarHBondContact O-CB 3.21Å; L772-H776 PolarHBondContact O-N 2.98Å; L772-H776 VanDerWaalsContact O-N 3.07Å; L772-Q777 PolarHBondContact O-N 2.82Å
773	R	84.7	Confident	79.3	Confident	141 Å²	141	67.8 Å²	67.8	53%	0.532	33%	0.328	S	S	.	.	H	α-helix	trans	-69.9	-41.6	176.2	-67.8	174.3	176.3	-174.2	-2.2	112.6	I769 G770 H771 N783	I769-R773 VanDerWaalsContact O-CG 3.29Å; I769-R773 WeakPolarHBondContact O-CG 3.48Å; I769-R773 PolarHBondContact O-N 3.47Å; G770-R773 PolarHBondContact O-N 2.81Å; H771-R773 PolarHBondContact O-N 3.38Å; R773-N783 HydrophobicContact CB-CB 4.29Å; R773-N783 WeakPolarHBondContact O-CB 3.42Å; R773-N783 PolarHBondContact O-ND2 3.02Å
774	T	84.2	Confident	79.9	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-77.3	-33.7	-175.4	48.2	0	0	0	0	113.4	G770 H771 F780 N783 V784 S819	G770-T774 WeakPolarHBondContact O-CB 3.33Å; G770-T774 WeakPolarHBondContact O-CG2 3.29Å; G770-T774 PolarHBondContact O-N 2.93Å; G770-T774 PolarHBondContact O-OG1 3.12Å; H771-T774 WeakPolarHBondContact CA-OG1 3.47Å; H771-T774 PolarHBondContact O-N 2.99Å; H771-T774 PolarHBondContact O-OG1 2.98Å; T774-F780 WeakPolarHBondContact O-CD2 3.44Å; T774-F780 WeakPolarHBondContact O-CE2 3.3Å; T774-N783 HydrophobicContact CG2-CB 4.08Å; T774-N783 VanDerWaalsContact CG2-O 3.29Å; T774-N783 WeakPolarHBondContact CG2-O 3.43Å; T774-V784 HydrophobicContact CG2-CG2 4.46Å; T774-S819 WeakPolarHBondContact CG2-O 3.28Å; T774-S819 PolarHBondContact OG1-O 3.39Å
775	L	85.1	Confident	80.2	Confident	40 Å²	40	71.1 Å²	71.1	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-120.7	-8.5	-169.7	-73.6	153.9	0	0	0	114.7	H771 F780 K867 I870	H771-L775 VanDerWaalsContact ND1-CD1 3.28Å; H771-L775 WeakPolarHBondContact ND1-CD1 3.45Å; H771-L775 WeakPolarHBondContact O-CB 3.41Å; H771-L775 PolarHBondContact O-N 3.43Å; L775-F780 HydrophobicContact CD2-CE2 3.98Å; L775-K867 HydrophobicContact CD2-CB 4.38Å; L775-K867 HydrophobicContact CD2-CD 4.44Å; L775-K867 HydrophobicContact CD2-CG 3.82Å; L775-I870 HydrophobicContact CD1-CG2 4.37Å
776	H	84.5	Confident	80.5	Confident	79 Å²	79	69.8 Å²	69.8	37%	0.366	34%	0.344	S	S	.	.	S	Bend	trans	-137.2	18.1	-175.5	-61.9	-58.2	0	0	0	114.7	C752 C755 H771 L772	C752-H776 PolarHBondContact SG-CD2 3.28Å; C752-H776 PolarHBondContact SG-NE2 3.44Å; C755-H776 PolarHBondContact SG-NE2 3.43Å; H771-H776 AromaticContact CE1-CD2 3.73Å; H771-H776 AromaticContact CE1-NE2 3.48Å; H771-H776 PolarHBondContact CE1-NE2 3.18Å; H771-H776 AromaticContact NE2-CD2 3.41Å; H771-H776 PolarHBondContact NE2-CD2 2.95Å; H771-H776 AromaticContact NE2-NE2 3.31Å; H771-H776 PolarHBondContact NE2-NE2 3.44Å; L772-H776 HydrophobicContact CD2-CB 4.39Å; L772-H776 CarbonylContact O-C 3.41Å; L772-H776 VanDerWaalsContact O-C 3.27Å; L772-H776 WeakPolarHBondContact O-CA 3.19Å; L772-H776 WeakPolarHBondContact O-CB 3.21Å; L772-H776 PolarHBondContact O-N 2.98Å; L772-H776 VanDerWaalsContact O-N 3.07Å
777	Q	79.4	Confident	80.5	Confident	100 Å²	100	65.8 Å²	65.8	47%	0.467	32%	0.324	S	S	.	.	S	Bend	trans	-116.2	154.7	163.6	-67.2	-169.5	-61.1	0	0	109.9	L772 D779 F780	L772-Q777 PolarHBondContact O-N 2.82Å; Q777-D779 VanDerWaalsContact C-N 3.29Å; Q777-D779 PolarHBondContact O-N 2.53Å; Q777-F780 PolarHBondContact O-N 3.02Å
778	D	64.9	Low	79.8	Confident	168 Å²	168	68.8 Å²	68.8	90%	0.898	34%	0.344	S	S	*	.	S	Bend	trans	-61.8	-35.9	-174.7	-50.9	-72.9	0	0	0	112.5	F780	D778-F780 PolarHBondContact O-N 2.89Å
779	D	71.8	Confident	78.8	Confident	108 Å²	108	71.9 Å²	71.9	58%	0.578	35%	0.354	S	S	*	.			trans	-77.4	43.5	177.3	-62.5	-48.1	0	0	0	113.9	Q777 L781 Q782 N783	Q777-D779 VanDerWaalsContact C-N 3.29Å; Q777-D779 PolarHBondContact O-N 2.53Å; D779-L781 PolarHBondContact O-N 3.43Å; D779-Q782 HydrophobicContact CB-CB 4.4Å; D779-Q782 PolarHBondContact O-N 3.28Å; D779-Q782 VanDerWaalsContact O-N 3.08Å; D779-N783 PolarHBondContact O-N 3.36Å; D779-N783 PolarHBondContact O-ND2 3.08Å
780	F	72.6	Confident	77.3	Confident	21 Å²	21	69.6 Å²	69.6	9%	0.092	34%	0.344	C	S	.	.	H	α-helix	trans	-39.2	-59.3	-178.7	170.3	-96.2	0	0	0	112.8	T774 L775 Q777 D778 Q782 N783 V784 I866 K867	T774-F780 WeakPolarHBondContact O-CD2 3.44Å; T774-F780 WeakPolarHBondContact O-CE2 3.3Å; L775-F780 HydrophobicContact CD2-CE2 3.98Å; Q777-F780 PolarHBondContact O-N 3.02Å; D778-F780 PolarHBondContact O-N 2.89Å; F780-Q782 VanDerWaalsContact C-N 3.29Å; F780-Q782 PolarHBondContact O-N 3.18Å; F780-N783 PolarHBondContact O-N 3.43Å; F780-V784 HydrophobicContact CE1-CG2 4.5Å; F780-V784 HydrophobicContact CE2-CG2 4.37Å; F780-V784 HydrophobicContact CZ-CG2 4.25Å; F780-V784 WeakPolarHBondContact O-CG2 3.33Å; F780-V784 PolarHBondContact O-N 2.98Å; F780-I866 HydrophobicContact CE1-CB 3.95Å; F780-I866 HydrophobicContact CE1-CD1 4.35Å; F780-I866 HydrophobicContact CE1-CG2 3.98Å; F780-I866 HydrophobicContact CZ-CB 3.86Å; F780-I866 HydrophobicContact CZ-CG2 3.76Å; F780-K867 HydrophobicContact CE2-CG 3.77Å; F780-K867 HydrophobicContact CZ-CG 3.84Å
781	L	70.9	Confident	75.1	Confident	123 Å²	123	77 Å²	77	64%	0.644	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-31.3	-173.4	-69	177.2	0	0	0	113.8	D779 I866	D779-L781 PolarHBondContact O-N 3.43Å; L781-I866 HydrophobicContact CD2-CD1 3.5Å; L781-I866 VanDerWaalsContact CD2-CD1 3.5Å
782	Q	73.3	Confident	72.7	Confident	165 Å²	165	86.5 Å²	86.5	77%	0.771	42%	0.417	S	S	*	.	H	α-helix	trans	-80.4	-23.3	-175.3	-170.5	164.5	-2.1	0	0	112.3	D779 F780	D779-Q782 HydrophobicContact CB-CB 4.4Å; D779-Q782 PolarHBondContact O-N 3.28Å; D779-Q782 VanDerWaalsContact O-N 3.08Å; F780-Q782 VanDerWaalsContact C-N 3.29Å; F780-Q782 PolarHBondContact O-N 3.18Å
783	N	78.6	Confident	70.1	Confident	46 Å²	46	91.2 Å²	91.2	25%	0.246	44%	0.442	C	S	.	.	H	α-helix	trans	-87.4	-22.8	178.6	-74.1	-46.1	0	0	0	113.6	R773 T774 D779 F780 L785	R773-N783 HydrophobicContact CB-CB 4.29Å; R773-N783 WeakPolarHBondContact O-CB 3.42Å; R773-N783 PolarHBondContact O-ND2 3.02Å; T774-N783 HydrophobicContact CG2-CB 4.08Å; T774-N783 VanDerWaalsContact CG2-O 3.29Å; T774-N783 WeakPolarHBondContact CG2-O 3.43Å; D779-N783 PolarHBondContact O-N 3.36Å; D779-N783 PolarHBondContact O-ND2 3.08Å; F780-N783 PolarHBondContact O-N 3.43Å; N783-L785 PolarHBondContact O-N 2.87Å
784	V	82.1	Confident	67.5	Low	19 Å²	19	87.7 Å²	87.7	12%	0.115	45%	0.45	C	S	.	.			trans	-67.2	125.3	-176.3	177.4	0	0	0	0	111.9	T774 F780 H817 I866 I870	T774-V784 HydrophobicContact CG2-CG2 4.46Å; F780-V784 HydrophobicContact CE1-CG2 4.5Å; F780-V784 HydrophobicContact CE2-CG2 4.37Å; F780-V784 HydrophobicContact CZ-CG2 4.25Å; F780-V784 WeakPolarHBondContact O-CG2 3.33Å; F780-V784 PolarHBondContact O-N 2.98Å; V784-H817 HydrophobicContact CG1-CB 4.06Å; V784-I866 HydrophobicContact CB-CG2 4.49Å; V784-I866 HydrophobicContact CG1-CG2 3.97Å; V784-I866 HydrophobicContact CG2-CG2 4.08Å; V784-I870 HydrophobicContact CG1-CD1 4Å; V784-I870 HydrophobicContact CG1-CG1 4.39Å; V784-I870 HydrophobicContact CG2-CD1 3.85Å
785	L	83.4	Confident	65	Low	55 Å²	55	96 Å²	96	29%	0.288	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.3	-174.3	-49.3	174.3	0	0	0	111	N783 F818 P821	N783-L785 PolarHBondContact O-N 2.87Å; L785-F818 HydrophobicContact CB-CB 4.38Å; L785-F818 PolarHBondContact N-O 2.94Å; L785-F818 WeakPolarHBondContact O-CD2 3.46Å; L785-F818 PolarHBondContact O-N 3.06Å; L785-P821 HydrophobicContact CD1-CB 4.34Å; L785-P821 HydrophobicContact CD1-CG 3.95Å
786	K	83.3	Confident	62.4	Low	113 Å²	113	101.4 Å²	101.4	49%	0.491	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	148.6	175.2	-62.9	-177.7	178.5	178.8	0	112.5	R824	K786-R824 VanDerWaalsContact O-CZ 3.3Å; K786-R824 PolarHBondContact O-NE 3.36Å; K786-R824 PolarHBondContact O-NH2 3.27Å
787	C	79.8	Confident	59.8	Low	4 Å²	4	103.1 Å²	103.1	3%	0.027	54%	0.538	C	S	.	.			trans	-55.8	135.5	169.7	-174.3	0	0	0	0	111.4	R789 T790 C814 A816 F818 H827	C787-R789 PolarHBondContact O-N 3.03Å; C787-T790 PolarHBondContact O-N 3.46Å; C787-T790 PolarHBondContact O-OG1 2.85Å; C787-T790 VanDerWaalsContact O-OG1 3.07Å; C787-C814 HydrophobicContact CB-CB 4.44Å; C787-A816 HydrophobicContact CB-CB 4.29Å; C787-A816 PolarHBondContact N-O 3.05Å; C787-F818 HydrophobicContact CB-CE2 4.36Å; C787-H827 PolarHBondContact SG-NE2 3.21Å
788	P	69.1	Low	57.4	Low	69 Å²	69	103.1 Å²	103.1	45%	0.448	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	12.3	177.3	33.3	-36.2	0	0	0	113.8	I828	P788-I828 HydrophobicContact CG-CD1 3.59Å; P788-I828 HydrophobicContact CG-CG1 3.82Å
789	R	63.7	Low	55.8	Low	92 Å²	92	101.8 Å²	101.8	35%	0.347	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	7.8	172.1	-60.2	-179.2	176.3	-165	-0.7	112.7	C787 C814 T831 N832	C787-R789 PolarHBondContact O-N 3.03Å; R789-C814 HydrophobicContact CB-CB 4.15Å; R789-T831 VanDerWaalsContact CZ-O 3.28Å; R789-T831 PolarHBondContact NH1-O 2.84Å; R789-T831 PolarHBondContact NH2-O 3.21Å; R789-N832 PolarHBondContact NH2-OD1 3.48Å
790	T	53	Low	53.8	Low	39 Å²	39	102 Å²	102	24%	0.239	55%	0.548	C	S	.	.	S	Bend	trans	-75.3	135.9	157.5	-38.2	0	0	0	0	107.5	C787 C814	C787-T790 PolarHBondContact O-N 3.46Å; C787-T790 PolarHBondContact O-OG1 2.85Å; C787-T790 VanDerWaalsContact O-OG1 3.07Å; T790-C814 PolarHBondContact OG1-O 2.87Å
791	E	39.1	Very low	51.9	Low	162 Å²	162	108 Å²	108	76%	0.757	58%	0.581	S	S	*	*			trans	62.2	81.7	174.8	-65.2	149	-125.8	0	0	116.9
792	K	38.3	Very low	50	Low	202 Å²	202	108.6 Å²	108.6	88%	0.878	58%	0.584	S	S	*	*			trans	-144.4	65.8	156.3	-86.5	-152.4	174.1	-165.2	0	112
793	L	31.4	Very low	48.1	Very low	168 Å²	168	106.4 Å²	106.4	88%	0.88	58%	0.578	S	S	*	*			trans	-168.6	83.4	167.9	-108.1	157.1	0	0	0	107.5
794	G	29.8	Very low	46	Very low	67 Å²	67	111 Å²	111	69%	0.691	60%	0.603	S	S	*	*	S	Bend	trans	-172.4	17.4	-169.9	0	0	0	0	0	115.7
795	Q	30.3	Very low	43.6	Very low	177 Å²	177	119.4 Å²	119.4	83%	0.827	64%	0.64	S	S	*	*	S	Bend	trans	-165.5	114.1	173.4	-103.5	133.6	78.1	0	0	106.7
796	D	30.3	Very low	41.3	Very low	153 Å²	153	123 Å²	123	82%	0.818	67%	0.665	S	S	*	*			trans	152.5	150.7	140.4	-79	-16.8	0	0	0	112.9
797	S	31.3	Very low	38.5	Very low	115 Å²	115	122.9 Å²	122.9	80%	0.804	68%	0.677	S	S	*	*			trans	52.9	96	168.5	51.1	0	0	0	0	118.3
798	S	28.9	Very low	36.1	Very low	99 Å²	99	130 Å²	130	69%	0.692	71%	0.71	S	S	*	*			trans	-65.2	137	141.3	52.6	0	0	0	0	110.7
799	N	30.4	Very low	34.2	Very low	141 Å²	141	134 Å²	134	75%	0.754	72%	0.722	S	S	*	*			trans	151.3	134.9	133.7	-75.6	-15.3	0	0	0	114
800	T	31.3	Very low	32.8	Very low	113 Å²	113	134.3 Å²	134.3	69%	0.693	74%	0.738	S	S	*	*			trans	51.9	98.1	147.2	58.8	0	0	0	0	120.3
801	D	31.6	Very low	32.1	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	76%	0.762	S	S	*	*				67.2	145.4	111.8	-51.7	-29.3	0	0	0	123.5
802	N	31.2	Very low	32.7	Very low	135 Å²	135	137.7 Å²	137.7	72%	0.722	76%	0.758	S	S	*	*			trans	88.3	128.3	155.5	-85.4	44.1	0	0	0	122.7
803	D	32.5	Very low	33.6	Very low	119 Å²	119	131.4 Å²	131.4	64%	0.636	74%	0.739	S	S	*	*			trans	69.8	90.1	142.9	-58.6	-38.1	0	0	0	121.5
804	N	34.7	Very low	35.3	Very low	144 Å²	144	124.6 Å²	124.6	77%	0.77	71%	0.705	S	S	*	*				41.6	90.7	121.8	-69.4	-48.8	0	0	0	118.2
805	H	32.5	Very low	37.2	Very low	194 Å²	194	123.5 Å²	123.5	90%	0.898	68%	0.682	S	S	*	*			trans	-153	146.3	131	-104.2	-68.5	0	0	0	111.9	C807	H805-C807 PolarHBondContact O-N 3.11Å
806	T	34.7	Very low	39.4	Very low	132 Å²	132	115.1 Å²	115.1	81%	0.81	64%	0.642	S	S	*	*			trans	-69.2	113.9	-178.2	45.1	0	0	0	0	112.9
807	C	25.4	Very low	42	Very low	110 Å²	110	108.6 Å²	108.6	74%	0.743	61%	0.607	S	S	*	*			trans	-163	157	165	-111.5	0	0	0	0	116.6	H805	H805-C807 PolarHBondContact O-N 3.11Å
808	H	28	Very low	44.7	Very low	154 Å²	154	103.2 Å²	103.2	71%	0.713	57%	0.569	S	S	*	*			trans	65.3	122.5	150.6	-76.1	-58.6	0	0	0	124.7
809	E	29.3	Very low	47.3	Very low	152 Å²	152	98.6 Å²	98.6	71%	0.71	54%	0.536	S	S	*	.			trans	50.4	105.3	131.6	-107.3	68.7	-150.2	0	0	121.2	T811	E809-T811 PolarHBondContact O-N 3.28Å
810	S	34.9	Very low	49.9	Very low	98 Å²	98	91.9 Å²	91.9	69%	0.685	50%	0.501	S	S	*	.			trans	-73.3	109	164.1	66.3	0	0	0	0	112.1	K812	S810-K812 PolarHBondContact O-N 3.39Å
811	T	39.1	Very low	52.3	Low	122 Å²	122	89.9 Å²	89.9	75%	0.748	49%	0.49	S	S	*	.			trans	-74.9	89.9	-179.2	40.6	0	0	0	0	113.2	E809	E809-T811 PolarHBondContact O-N 3.28Å
812	K	51.1	Low	54.9	Low	151 Å²	151	84.4 Å²	84.4	66%	0.657	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-78.2	119.7	178.6	-66.6	174.9	-178.4	173.5	0	111.9	S810 L855	S810-K812 PolarHBondContact O-N 3.39Å; K812-L855 HydrophobicContact CD-CD1 4.35Å
813	S	56.6	Low	57.3	Low	70 Å²	70	78.3 Å²	78.3	49%	0.49	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-75.8	147.4	174	57.3	0	0	0	0	112.1
814	C	67.7	Low	59.9	Low	25 Å²	25	76.2 Å²	76.2	17%	0.169	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-91.1	120.5	-176.7	-171.5	0	0	0	0	111.8	C787 R789 T790 H827	C787-C814 HydrophobicContact CB-CB 4.44Å; R789-C814 HydrophobicContact CB-CB 4.15Å; T790-C814 PolarHBondContact OG1-O 2.87Å; C814-H827 PolarHBondContact SG-CE1 3.15Å; C814-H827 PolarHBondContact SG-NE2 3.24Å
815	K	69.3	Low	62.2	Low	44 Å²	44	74.9 Å²	74.9	19%	0.191	40%	0.398	C	S	.	.			trans	-101.7	22.9	-177.7	-56.9	-164.7	177.7	-165.7	0	114.2	H817 F856	K815-H817 PolarHBondContact O-CE1 2.88Å; K815-H817 PolarHBondContact O-ND1 3.17Å; K815-F856 PolarHBondContact NZ-O 3.39Å
816	A	76.8	Confident	64.3	Low	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.364	C	S	.	.			trans	-68	134.2	-179.8	0	0	0	0	0	112.5	C787 F818 T873	C787-A816 HydrophobicContact CB-CB 4.29Å; C787-A816 PolarHBondContact N-O 3.05Å; A816-F818 HydrophobicContact CB-CE1 4.29Å; A816-F818 HydrophobicContact CB-CE2 3.76Å; A816-F818 HydrophobicContact CB-CZ 3.45Å; A816-F818 VanDerWaalsContact CB-CZ 3.45Å; A816-T873 HydrophobicContact CB-CG2 3.95Å
817	H	85.1	Confident	66.6	Low	17 Å²	17	61.3 Å²	61.3	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.2	177.9	-70.1	71.1	0	0	0	108.9	V784 K815 L869 I870 T873	V784-H817 HydrophobicContact CG1-CB 4.06Å; K815-H817 PolarHBondContact O-CE1 2.88Å; K815-H817 PolarHBondContact O-ND1 3.17Å; H817-L869 HydrophobicContact CB-CB 4.31Å; H817-I870 HydrophobicContact CB-CG1 4.12Å; H817-T873 WeakPolarHBondContact O-CG2 3.46Å; H817-T873 PolarHBondContact O-OG1 3.08Å
818	F	87.2	Confident	69.1	Low	2 Å²	2	57.2 Å²	57.2	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.1	-171	-54	-84.2	0	0	0	112.6	L785 C787 A816 L823 R824 H827 T873	L785-F818 HydrophobicContact CB-CB 4.38Å; L785-F818 PolarHBondContact N-O 2.94Å; L785-F818 WeakPolarHBondContact O-CD2 3.46Å; L785-F818 PolarHBondContact O-N 3.06Å; C787-F818 HydrophobicContact CB-CE2 4.36Å; A816-F818 HydrophobicContact CB-CE1 4.29Å; A816-F818 HydrophobicContact CB-CE2 3.76Å; A816-F818 HydrophobicContact CB-CZ 3.45Å; A816-F818 VanDerWaalsContact CB-CZ 3.45Å; F818-L823 HydrophobicContact CD1-CB 3.92Å; F818-R824 HydrophobicContact CB-CB 4.08Å; F818-R824 HydrophobicContact CD1-CB 4.44Å; F818-R824 HydrophobicContact CD2-CB 3.61Å; F818-R824 HydrophobicContact CD2-CG 3.74Å; F818-R824 HydrophobicContact CE2-CB 4.17Å; F818-R824 HydrophobicContact CE2-CG 4.04Å; F818-R824 HydrophobicContact CG-CB 3.77Å; F818-R824 HydrophobicContact CG-CG 4.42Å; F818-H827 HydrophobicContact CE1-CB 3.85Å; F818-H827 HydrophobicContact CZ-CB 3.56Å; F818-H827 AromaticContact CZ-CD2 3.57Å; F818-H827 AromaticContact CZ-CG 3.5Å; F818-T873 HydrophobicContact CE1-CG2 4.36Å
819	S	84.2	Confident	71.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	28%	0.281	C	S	.	.	S	Bend	trans	-71.8	-31.4	167.3	51.1	0	0	0	0	112.5	G770 H771 T774 E874	G770-S819 CarbonylContact C-O 3.57Å; G770-S819 WeakPolarHBondContact CA-O 3.35Å; H771-S819 PolarHBondContact N-O 3.37Å; T774-S819 WeakPolarHBondContact CG2-O 3.28Å; T774-S819 PolarHBondContact OG1-O 3.39Å; S819-E874 VanDerWaalsContact CB-OE1 3.29Å; S819-E874 WeakPolarHBondContact CB-OE1 3.47Å; S819-E874 PolarHBondContact OG-OE1 3.12Å
820	S	84.6	Confident	72.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.			trans	-125.7	150.4	-174.8	96.5	0	0	0	0	115.5	D767 R822 L823 R824	D767-S820 WeakPolarHBondContact OD1-CB 3.28Å; D767-S820 PolarHBondContact OD1-OG 3.4Å; S820-R822 VanDerWaalsContact C-N 3.3Å; S820-R822 PolarHBondContact O-N 2.95Å; S820-R822 PolarHBondContact OG-N 3.34Å; S820-L823 WeakPolarHBondContact OG-CG 3.4Å; S820-L823 PolarHBondContact OG-N 3.49Å; S820-R824 PolarHBondContact O-N 2.87Å
821	P	82.8	Confident	74	Confident	72 Å²	72	44.9 Å²	44.9	47%	0.468	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-32	170.1	-22.9	33.6	0	0	0	113.8	L785 Q825	L785-P821 HydrophobicContact CD1-CB 4.34Å; L785-P821 HydrophobicContact CD1-CG 3.95Å; P821-Q825 WeakPolarHBondContact O-CB 3.23Å; P821-Q825 PolarHBondContact O-N 2.9Å
822	R	84.4	Confident	74.6	Confident	31 Å²	31	43 Å²	43	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-51.3	179.2	161.1	173.6	152.5	132.2	1	110.5	N699 E704 I766 D767 S820 R824 Q825 L826 L882	N699-R822 PolarHBondContact O-NH1 3.32Å; E704-R822 IonicContact OE2-CZ 3.7Å; E704-R822 IonicContact OE2-NH1 2.68Å; E704-R822 IonicContact OE2-NH2 2.74Å; E704-R822 PolarHBondContact OE2-NH2 3.05Å; I766-R822 HydrophobicContact CG2-CB 4.2Å; D767-R822 VanDerWaalsContact OD2-CD 3.3Å; D767-R822 WeakPolarHBondContact OD2-CD 3.37Å; D767-R822 IonicContact OD2-NE 3.17Å; D767-R822 PolarHBondContact OD2-NE 2.88Å; S820-R822 VanDerWaalsContact C-N 3.3Å; S820-R822 PolarHBondContact O-N 2.95Å; S820-R822 PolarHBondContact OG-N 3.34Å; R822-R824 VanDerWaalsContact C-N 3.34Å; R822-R824 PolarHBondContact O-N 3.42Å; R822-Q825 PolarHBondContact O-N 3.18Å; R822-L826 HydrophobicContact CG-CD1 3.87Å; R822-L826 WeakPolarHBondContact O-CG 3.44Å; R822-L826 PolarHBondContact O-N 3.06Å; R822-L882 PolarHBondContact NH2-O 3.2Å
823	L	83.1	Confident	74.3	Confident	7 Å²	7	42 Å²	42	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-43.3	178.5	-70.3	169.9	0	0	0	111.9	F818 S820 Q825 L826 H827 E874 A877 M883	F818-L823 HydrophobicContact CD1-CB 3.92Å; S820-L823 WeakPolarHBondContact OG-CG 3.4Å; S820-L823 PolarHBondContact OG-N 3.49Å; L823-Q825 VanDerWaalsContact C-N 3.35Å; L823-Q825 PolarHBondContact O-N 3.15Å; L823-L826 PolarHBondContact O-N 2.81Å; L823-H827 PolarHBondContact O-N 2.81Å; L823-E874 HydrophobicContact CD1-CG 4.22Å; L823-A877 HydrophobicContact CD2-CB 3.8Å; L823-M883 HydrophobicContact CD1-CE 4.49Å; L823-M883 HydrophobicContact CD1-SD 3.84Å; L823-M883 HydrophobicContact CD2-CB 4.43Å; L823-M883 HydrophobicContact CD2-CG 4.37Å; L823-M883 HydrophobicContact CD2-SD 3.73Å; L823-M883 HydrophobicContact CG-SD 4.41Å
824	R	86.2	Confident	73.8	Confident	74 Å²	74	42.7 Å²	42.7	28%	0.279	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-44	174.7	-177	172	-174	-90.8	9.2	112.4	K786 F818 S820 R822 I828	K786-R824 VanDerWaalsContact O-CZ 3.3Å; K786-R824 PolarHBondContact O-NE 3.36Å; K786-R824 PolarHBondContact O-NH2 3.27Å; F818-R824 HydrophobicContact CB-CB 4.08Å; F818-R824 HydrophobicContact CD1-CB 4.44Å; F818-R824 HydrophobicContact CD2-CB 3.61Å; F818-R824 HydrophobicContact CD2-CG 3.74Å; F818-R824 HydrophobicContact CE2-CB 4.17Å; F818-R824 HydrophobicContact CE2-CG 4.04Å; F818-R824 HydrophobicContact CG-CB 3.77Å; F818-R824 HydrophobicContact CG-CG 4.42Å; S820-R824 PolarHBondContact O-N 2.87Å; R822-R824 VanDerWaalsContact C-N 3.34Å; R822-R824 PolarHBondContact O-N 3.42Å; R824-I828 HydrophobicContact CG-CD1 3.91Å; R824-I828 WeakPolarHBondContact O-CD1 3.38Å; R824-I828 VanDerWaalsContact O-CG1 3.24Å; R824-I828 WeakPolarHBondContact O-CG1 3.25Å; R824-I828 PolarHBondContact O-N 2.75Å; R824-I828 VanDerWaalsContact O-N 3.1Å
825	Q	82.7	Confident	72.4	Confident	117 Å²	117	46.6 Å²	46.6	55%	0.547	25%	0.249	S	C	.	.	H	α-helix	trans	-67.7	-40.2	-179.7	-172.8	61	24	0	0	112.1	P821 R822 L823 I828 S829	P821-Q825 WeakPolarHBondContact O-CB 3.23Å; P821-Q825 PolarHBondContact O-N 2.9Å; R822-Q825 PolarHBondContact O-N 3.18Å; L823-Q825 VanDerWaalsContact C-N 3.35Å; L823-Q825 PolarHBondContact O-N 3.15Å; Q825-I828 PolarHBondContact O-N 3.13Å; Q825-S829 PolarHBondContact O-N 2.92Å; Q825-S829 PolarHBondContact O-OG 3.48Å
826	L	77.8	Confident	70.8	Confident	37 Å²	37	49.5 Å²	49.5	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-45	175.7	-69.5	166.2	0	0	0	111.6	R822 L823 I828 S829 M830 L882	R822-L826 HydrophobicContact CG-CD1 3.87Å; R822-L826 WeakPolarHBondContact O-CG 3.44Å; R822-L826 PolarHBondContact O-N 3.06Å; L823-L826 PolarHBondContact O-N 2.81Å; L826-I828 PolarHBondContact O-N 2.93Å; L826-S829 WeakPolarHBondContact CA-OG 3.45Å; L826-S829 PolarHBondContact O-N 3.43Å; L826-S829 PolarHBondContact O-OG 2.84Å; L826-M830 PolarHBondContact O-N 2.94Å; L826-L882 HydrophobicContact CB-CD1 4.41Å; L826-L882 HydrophobicContact CD1-CB 4.4Å; L826-L882 HydrophobicContact CD1-CD2 4.38Å; L826-L882 HydrophobicContact CD2-CD2 4.4Å
827	H	81.7	Confident	68.5	Low	3 Å²	3	57.1 Å²	57.1	1%	0.014	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-45.8	174	172.3	73.8	0	0	0	112.6	C787 C814 F818 L823 T831 F850	C787-H827 PolarHBondContact SG-NE2 3.21Å; C814-H827 PolarHBondContact SG-CE1 3.15Å; C814-H827 PolarHBondContact SG-NE2 3.24Å; F818-H827 HydrophobicContact CE1-CB 3.85Å; F818-H827 HydrophobicContact CZ-CB 3.56Å; F818-H827 AromaticContact CZ-CD2 3.57Å; F818-H827 AromaticContact CZ-CG 3.5Å; L823-H827 PolarHBondContact O-N 2.81Å; H827-T831 WeakPolarHBondContact O-CB 3.29Å; H827-T831 WeakPolarHBondContact O-CG2 3.37Å; H827-T831 PolarHBondContact O-N 3.48Å; H827-T831 VanDerWaalsContact O-N 3.14Å; H827-T831 PolarHBondContact O-OG1 3.28Å; H827-F850 HydrophobicContact CB-CD1 4.1Å; H827-F850 HydrophobicContact CB-CE1 3.71Å; H827-F850 AromaticContact CG-CE1 3.85Å; H827-F850 AromaticContact ND1-CD1 3.45Å; H827-F850 WeakPolarHBondContact ND1-CD1 3.45Å; H827-F850 AromaticContact ND1-CE1 3.29Å; H827-F850 VanDerWaalsContact ND1-CE1 3.29Å; H827-F850 WeakPolarHBondContact ND1-CE1 3.29Å
828	I	78.1	Confident	65.8	Low	25 Å²	25	63.9 Å²	63.9	13%	0.128	35%	0.348	C	S	.	.	H	α-helix	trans	-63.4	-42.4	178	-66	160	0	0	0	110.7	P788 R824 Q825 L826 T831 N832	P788-I828 HydrophobicContact CG-CD1 3.59Å; P788-I828 HydrophobicContact CG-CG1 3.82Å; R824-I828 HydrophobicContact CG-CD1 3.91Å; R824-I828 WeakPolarHBondContact O-CD1 3.38Å; R824-I828 VanDerWaalsContact O-CG1 3.24Å; R824-I828 WeakPolarHBondContact O-CG1 3.25Å; R824-I828 PolarHBondContact O-N 2.75Å; R824-I828 VanDerWaalsContact O-N 3.1Å; Q825-I828 PolarHBondContact O-N 3.13Å; L826-I828 PolarHBondContact O-N 2.93Å; I828-T831 PolarHBondContact O-OG1 2.9Å; I828-N832 VanDerWaalsContact O-CG 3.27Å; I828-N832 PolarHBondContact O-N 3.47Å; I828-N832 PolarHBondContact O-OD1 3.33Å
829	S	70.2	Confident	63.1	Low	52 Å²	52	71 Å²	71	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-43.2	-179	59.7	0	0	0	0	112.7	Q825 L826	Q825-S829 PolarHBondContact O-N 2.92Å; Q825-S829 PolarHBondContact O-OG 3.48Å; L826-S829 WeakPolarHBondContact CA-OG 3.45Å; L826-S829 PolarHBondContact O-N 3.43Å; L826-S829 PolarHBondContact O-OG 2.84Å
830	M	65.1	Low	60.4	Low	69 Å²	69	77.9 Å²	77.9	34%	0.34	42%	0.423	S	S	.	.	H	α-helix	trans	-68.7	-36.8	-179.9	-74.2	-177.2	152.7	0	0	112.7	L826 N832 F850 L882	L826-M830 PolarHBondContact O-N 2.94Å; M830-N832 VanDerWaalsContact C-N 3.33Å; M830-N832 PolarHBondContact O-N 3.45Å; M830-F850 HydrophobicContact CB-CB 4.35Å; M830-F850 HydrophobicContact SD-CB 3.47Å; M830-F850 WeakPolarHBondContact SD-CB 3.28Å; M830-F850 HydrophobicContact SD-CG 4.3Å; M830-L882 HydrophobicContact CE-CD1 4.37Å; M830-L882 HydrophobicContact CE-CD2 3.77Å; M830-L882 HydrophobicContact CE-CG 4.44Å; M830-L882 HydrophobicContact SD-CD1 3.87Å; M830-L882 HydrophobicContact SD-CD2 4.27Å
831	T	60.2	Low	57.8	Low	23 Å²	23	85.4 Å²	85.4	14%	0.141	46%	0.463	C	S	.	.	H	α-helix	trans	-81.9	-6.5	-176.7	58	0	0	0	0	114.2	R789 H827 I828 T834	R789-T831 VanDerWaalsContact CZ-O 3.28Å; R789-T831 PolarHBondContact NH1-O 2.84Å; R789-T831 PolarHBondContact NH2-O 3.21Å; H827-T831 WeakPolarHBondContact O-CB 3.29Å; H827-T831 WeakPolarHBondContact O-CG2 3.37Å; H827-T831 PolarHBondContact O-N 3.48Å; H827-T831 VanDerWaalsContact O-N 3.14Å; H827-T831 PolarHBondContact O-OG1 3.28Å; I828-T831 PolarHBondContact O-OG1 2.9Å; T831-T834 PolarHBondContact O-OG1 3.25Å
832	N	52.5	Low	55.1	Low	83 Å²	83	86.7 Å²	86.7	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-80.3	-25.1	171.3	-77.4	-9.3	0	0	0	113.1	R789 I828 M830 T834 T835	R789-N832 PolarHBondContact NH2-OD1 3.48Å; I828-N832 VanDerWaalsContact O-CG 3.27Å; I828-N832 PolarHBondContact O-N 3.47Å; I828-N832 PolarHBondContact O-OD1 3.33Å; M830-N832 VanDerWaalsContact C-N 3.33Å; M830-N832 PolarHBondContact O-N 3.45Å; N832-T834 VanDerWaalsContact C-N 3.31Å; N832-T834 PolarHBondContact O-N 3.45Å; N832-T835 PolarHBondContact O-OG1 3.27Å; N832-T835 VanDerWaalsContact O-OG1 3.08Å
833	N	45.1	Very low	52.3	Low	131 Å²	131	90.1 Å²	90.1	70%	0.701	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-10.1	-172.9	-69.8	-1.3	0	0	0	114.1
834	T	44.5	Very low	49.7	Very low	84 Å²	84	97.2 Å²	97.2	52%	0.515	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-3.7	-177.2	44.5	0	0	0	0	114.5	T831 N832	T831-T834 PolarHBondContact O-OG1 3.25Å; N832-T834 VanDerWaalsContact C-N 3.31Å; N832-T834 PolarHBondContact O-N 3.45Å
835	T	39.3	Very low	46.8	Very low	106 Å²	106	101.6 Å²	101.6	65%	0.65	57%	0.567	S	S	*	*	S	Bend	trans	-99.6	7.8	-175.7	37.2	0	0	0	0	115.2	N832	N832-T835 PolarHBondContact O-OG1 3.27Å; N832-T835 VanDerWaalsContact O-OG1 3.08Å
836	T	34.7	Very low	44.1	Very low	105 Å²	105	101.1 Å²	101.1	64%	0.644	58%	0.576	S	S	*	*	S	Bend	trans	-140.1	67.2	-175.2	57.2	0	0	0	0	113.7
837	N	29.5	Very low	41.8	Very low	160 Å²	160	107.6 Å²	107.6	86%	0.856	61%	0.611	S	S	*	*			trans	-170.7	92.1	145.4	-102.7	-16.6	0	0	0	111.9	N839	N837-N839 PolarHBondContact O-N 3.38Å
838	N	27.1	Very low	39.7	Very low	159 Å²	159	112.4 Å²	112.4	85%	0.85	65%	0.645	S	S	*	*			trans	-77.6	102.9	154.5	-76.5	-4.9	0	0	0	107.5
839	N	31.1	Very low	38.2	Very low	152 Å²	152	118.2 Å²	118.2	81%	0.813	67%	0.672	S	S	*	*			trans	-174.9	136.3	141.6	-96.8	-30.9	0	0	0	112.6	N837 N841	N837-N839 PolarHBondContact O-N 3.38Å; N839-N841 PolarHBondContact O-N 3.43Å
840	N	28.9	Very low	37.2	Very low	145 Å²	145	116.5 Å²	116.5	78%	0.775	66%	0.658	S	S	*	*			trans	-42.2	121.6	174.5	-49.2	-35.1	0	0	0	113.6
841	N	29.1	Very low	36.3	Very low	159 Å²	159	117.6 Å²	117.6	85%	0.85	67%	0.673	S	S	*	*				-169.5	149.3	114.3	-93.5	-24.4	0	0	0	113.7	N839	N839-N841 PolarHBondContact O-N 3.43Å
842	S	26.4	Very low	35.8	Very low	99 Å²	99	117.8 Å²	117.8	69%	0.692	67%	0.674	S	S	*	*			trans	-43.9	139.1	179.9	51.9	0	0	0	0	118
843	S	26	Very low	35.6	Very low	103 Å²	103	119.3 Å²	119.3	72%	0.72	69%	0.689	S	S	*	*			trans	66.9	155.5	152.7	69	0	0	0	0	119.7
844	I	26.7	Very low	35.8	Very low	155 Å²	155	114.3 Å²	114.3	80%	0.795	66%	0.662	S	S	*	*			trans	77.5	145	-177	-45.3	167.8	0	0	0	113.1
845	L	26.8	Very low	35.4	Very low	166 Å²	166	116.1 Å²	116.1	87%	0.869	67%	0.667	S	S	*	*			trans	69.6	91.2	177.5	-59.3	120.7	0	0	0	119.2
846	S	26.1	Very low	35.6	Very low	107 Å²	107	118.6 Å²	118.6	75%	0.748	67%	0.67	S	S	*	*			trans	-161.5	102	154.2	50.4	0	0	0	0	112.9
847	N	29.2	Very low	35.6	Very low	174 Å²	174	120.9 Å²	120.9	93%	0.93	68%	0.678	S	S	*	*	S	Bend	trans	-154.8	19.4	177.3	-125.5	14.6	0	0	0	116.1
848	S	36.7	Very low	35.8	Very low	103 Å²	103	121.1 Å²	121.1	72%	0.72	67%	0.674	S	S	*	*			trans	-152.8	25.3	-169.9	57	0	0	0	0	115.9
849	Q	46.1	Very low	36.3	Very low	148 Å²	148	122.2 Å²	122.2	69%	0.692	67%	0.671	S	S	*	*			trans	-87.7	114.2	179.6	-70.6	-171	1.2	0	0	112.6	S851	Q849-S851 PolarHBondContact O-N 3.45Å
850	F	50	Low	36.8	Very low	15 Å²	15	122.4 Å²	122.4	7%	0.066	67%	0.672	C	S	.	*			trans	-71.6	73.1	170.7	-172.4	-106	0	0	0	111.7	H827 M830 A876 A877 S880 L882	H827-F850 HydrophobicContact CB-CD1 4.1Å; H827-F850 HydrophobicContact CB-CE1 3.71Å; H827-F850 AromaticContact CG-CE1 3.85Å; H827-F850 AromaticContact ND1-CD1 3.45Å; H827-F850 WeakPolarHBondContact ND1-CD1 3.45Å; H827-F850 AromaticContact ND1-CE1 3.29Å; H827-F850 VanDerWaalsContact ND1-CE1 3.29Å; H827-F850 WeakPolarHBondContact ND1-CE1 3.29Å; M830-F850 HydrophobicContact CB-CB 4.35Å; M830-F850 HydrophobicContact SD-CB 3.47Å; M830-F850 WeakPolarHBondContact SD-CB 3.28Å; M830-F850 HydrophobicContact SD-CG 4.3Å; F850-A876 HydrophobicContact CE2-CB 3.79Å; F850-A876 WeakPolarHBondContact CE2-O 3.4Å; F850-A876 HydrophobicContact CZ-CB 4.29Å; F850-A877 HydrophobicContact CE2-CB 4.22Å; F850-S880 VanDerWaalsContact CD2-OG 3.3Å; F850-S880 WeakPolarHBondContact CD2-OG 3.18Å; F850-L882 HydrophobicContact CD2-CD1 3.84Å; F850-L882 HydrophobicContact CE2-CD1 4.11Å; F850-L882 HydrophobicContact CG-CD1 4.13Å
851	S	46.9	Very low	37.8	Very low	93 Å²	93	120 Å²	120	65%	0.65	65%	0.653	S	S	*	*			trans	-88.9	121.6	175.5	-169.1	0	0	0	0	110	Q849 P853	Q849-S851 PolarHBondContact O-N 3.45Å; S851-P853 VanDerWaalsContact O-CD 3.32Å; S851-P853 WeakPolarHBondContact O-CD 3.4Å
852	C	48.5	Very low	39.3	Very low	27 Å²	27	117.8 Å²	117.8	18%	0.182	64%	0.641	C	S	.	*			trans	-92.2	106.8	-174.5	-171.2	0	0	0	0	110.9	I854	C852-I854 PolarHBondContact O-N 3.27Å; C852-I854 VanDerWaalsContact O-N 3.08Å
853	P	48.2	Very low	41.1	Very low	114 Å²	114	115.2 Å²	115.2	74%	0.74	62%	0.623	S	S	*	*			trans	-92.7	63.2	-165.1	37.9	-34.4	0	0	0	112	S851	S851-P853 VanDerWaalsContact O-CD 3.32Å; S851-P853 WeakPolarHBondContact O-CD 3.4Å
854	I	49.2	Very low	43.2	Very low	26 Å²	26	114.3 Å²	114.3	13%	0.133	61%	0.61	C	S	.	*			trans	-122.4	103.9	-174.7	-52.4	-179.4	0	0	0	110.7	C852 L869 H872	C852-I854 PolarHBondContact O-N 3.27Å; C852-I854 VanDerWaalsContact O-N 3.08Å; I854-L869 HydrophobicContact CD1-CD2 4.1Å; I854-L869 HydrophobicContact CG2-CD2 3.72Å; I854-H872 HydrophobicContact CD1-CB 4.08Å
855	L	37.2	Very low	45.5	Very low	122 Å²	122	111 Å²	111	64%	0.639	59%	0.591	S	S	*	*			trans	-122	98.4	180	-89.8	161.5	0	0	0	110.2	K812	K812-L855 HydrophobicContact CD-CD1 4.35Å
856	F	42.9	Very low	47.9	Very low	158 Å²	158	103.9 Å²	103.9	69%	0.693	55%	0.553	S	S	*	*			trans	-141.2	151.9	173	-82	-77	0	0	0	112.6	K815	K815-F856 PolarHBondContact NZ-O 3.39Å
857	N	34.5	Very low	50.6	Low	154 Å²	154	102.4 Å²	102.4	82%	0.824	53%	0.534	S	S	*	.			trans	-81.9	163.2	-176.7	-77.5	-6.3	0	0	0	112.8	K859	N857-K859 PolarHBondContact O-N 2.86Å
858	E	34.2	Very low	53.1	Low	165 Å²	165	98.1 Å²	98.1	77%	0.771	51%	0.511	S	S	*	.			trans	-81.1	111.2	-177.4	-68.7	166.9	-172.5	0	0	111.8
859	K	37.5	Very low	55.2	Low	182 Å²	182	94.2 Å²	94.2	79%	0.791	48%	0.481	S	S	*	.			trans	-144.6	159.5	152.1	-68.4	-160.3	175.4	-172.6	0	108.3	N857 Y861	N857-K859 PolarHBondContact O-N 2.86Å; K859-Y861 PolarHBondContact O-N 2.94Å
860	D	40.7	Very low	57.2	Low	155 Å²	155	87.1 Å²	87.1	83%	0.829	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-59	130.5	-165.2	-55	-82.9	0	0	0	114.1	L862	D860-L862 PolarHBondContact O-N 3.46Å
861	Y	51	Low	58.9	Low	94 Å²	94	87.3 Å²	87.3	37%	0.369	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-81.6	118.4	-172.8	-73.5	-86.5	0	0	0	112.4	K859 Q865 I866 L869	K859-Y861 PolarHBondContact O-N 2.94Å; Y861-Q865 HydrophobicContact CD1-CB 3.96Å; Y861-I866 HydrophobicContact CD1-CG1 4.21Å; Y861-I866 HydrophobicContact CG-CD1 4.46Å; Y861-I866 HydrophobicContact CG-CG1 4.25Å; Y861-L869 HydrophobicContact CD1-CD1 4.3Å; Y861-L869 HydrophobicContact CE1-CD1 3.77Å
862	L	60.8	Low	60.8	Low	114 Å²	114	88.1 Å²	88.1	60%	0.597	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-63.4	148.5	158.7	-101.3	74.3	0	0	0	110.2	D860 D864 Q865	D860-L862 PolarHBondContact O-N 3.46Å; L862-D864 PolarHBondContact O-N 2.86Å; L862-D864 VanDerWaalsContact O-N 3.13Å; L862-Q865 HydrophobicContact CB-CG 4.21Å; L862-Q865 WeakPolarHBondContact O-CB 3.39Å; L862-Q865 PolarHBondContact O-N 3Å
863	S	64.8	Low	62.5	Low	45 Å²	45	86.9 Å²	86.9	32%	0.315	44%	0.435	S	S	.	.	H	α-helix	trans	-48.7	-43.2	177.6	178.3	0	0	0	0	112.4	Q865 I866 K867	S863-Q865 VanDerWaalsContact C-N 3.32Å; S863-Q865 PolarHBondContact O-N 3.1Å; S863-I866 PolarHBondContact O-N 3.27Å; S863-I866 VanDerWaalsContact O-N 3.14Å; S863-K867 WeakPolarHBondContact O-CG 3.35Å; S863-K867 PolarHBondContact O-N 3.48Å; S863-K867 VanDerWaalsContact O-N 3.12Å; S863-K867 WeakPolarHBondContact OG-CE 3.24Å; S863-K867 PolarHBondContact OG-NZ 2.94Å
864	D	69.7	Low	64.4	Low	84 Å²	84	81.5 Å²	81.5	45%	0.449	40%	0.4	S	S	.	.	H	α-helix	trans	-69.2	-26.2	-177.2	-51.9	-61.2	0	0	0	113.9	L862 I866 K867 N868	L862-D864 PolarHBondContact O-N 2.86Å; L862-D864 VanDerWaalsContact O-N 3.13Å; D864-I866 VanDerWaalsContact C-N 3.31Å; D864-I866 PolarHBondContact O-N 3.32Å; D864-K867 PolarHBondContact O-N 3.18Å; D864-K867 WeakPolarHBondContact OD1-CE 3.33Å; D864-K867 IonicContact OD1-NZ 3.43Å; D864-K867 PolarHBondContact OD1-NZ 3.47Å; D864-N868 PolarHBondContact O-N 2.82Å; D864-N868 PolarHBondContact O-ND2 3.14Å
865	Q	73.7	Confident	66.1	Low	86 Å²	86	82.9 Å²	82.9	40%	0.402	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-37.2	172.7	-61.8	176.9	2.6	0	0	111	Y861 L862 S863 N868 L869	Y861-Q865 HydrophobicContact CD1-CB 3.96Å; L862-Q865 HydrophobicContact CB-CG 4.21Å; L862-Q865 WeakPolarHBondContact O-CB 3.39Å; L862-Q865 PolarHBondContact O-N 3Å; S863-Q865 VanDerWaalsContact C-N 3.32Å; S863-Q865 PolarHBondContact O-N 3.1Å; Q865-N868 PolarHBondContact O-N 3.3Å; Q865-L869 WeakPolarHBondContact O-CG 3.45Å; Q865-L869 PolarHBondContact O-N 3.46Å
866	I	77.5	Confident	68.3	Low	15 Å²	15	77.9 Å²	77.9	8%	0.077	38%	0.383	C	S	.	.	H	α-helix	trans	-73.2	-34.8	177	-61.2	169.9	0	0	0	110.7	F780 L781 V784 Y861 S863 D864 N868 L869 I870	F780-I866 HydrophobicContact CE1-CB 3.95Å; F780-I866 HydrophobicContact CE1-CD1 4.35Å; F780-I866 HydrophobicContact CE1-CG2 3.98Å; F780-I866 HydrophobicContact CZ-CB 3.86Å; F780-I866 HydrophobicContact CZ-CG2 3.76Å; L781-I866 HydrophobicContact CD2-CD1 3.5Å; L781-I866 VanDerWaalsContact CD2-CD1 3.5Å; V784-I866 HydrophobicContact CB-CG2 4.49Å; V784-I866 HydrophobicContact CG1-CG2 3.97Å; V784-I866 HydrophobicContact CG2-CG2 4.08Å; Y861-I866 HydrophobicContact CD1-CG1 4.21Å; Y861-I866 HydrophobicContact CG-CD1 4.46Å; Y861-I866 HydrophobicContact CG-CG1 4.25Å; S863-I866 PolarHBondContact O-N 3.27Å; S863-I866 VanDerWaalsContact O-N 3.14Å; D864-I866 VanDerWaalsContact C-N 3.31Å; D864-I866 PolarHBondContact O-N 3.32Å; I866-N868 VanDerWaalsContact C-N 3.35Å; I866-L869 PolarHBondContact O-N 2.75Å; I866-I870 HydrophobicContact CG2-CD1 4.25Å; I866-I870 WeakPolarHBondContact O-CG1 3.19Å; I866-I870 PolarHBondContact O-N 2.96Å
867	K	82.4	Confident	70.2	Confident	77 Å²	77	70.3 Å²	70.3	34%	0.335	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-44.8	170.5	-60.9	173.8	-161.7	160.3	0	111.2	L775 F780 S863 D864 I870 L871	L775-K867 HydrophobicContact CD2-CB 4.38Å; L775-K867 HydrophobicContact CD2-CD 4.44Å; L775-K867 HydrophobicContact CD2-CG 3.82Å; F780-K867 HydrophobicContact CE2-CG 3.77Å; F780-K867 HydrophobicContact CZ-CG 3.84Å; S863-K867 WeakPolarHBondContact O-CG 3.35Å; S863-K867 PolarHBondContact O-N 3.48Å; S863-K867 VanDerWaalsContact O-N 3.12Å; S863-K867 WeakPolarHBondContact OG-CE 3.24Å; S863-K867 PolarHBondContact OG-NZ 2.94Å; D864-K867 PolarHBondContact O-N 3.18Å; D864-K867 WeakPolarHBondContact OD1-CE 3.33Å; D864-K867 IonicContact OD1-NZ 3.43Å; D864-K867 PolarHBondContact OD1-NZ 3.47Å; K867-I870 PolarHBondContact O-N 3.35Å; K867-L871 PolarHBondContact O-N 3.22Å
868	N	82.3	Confident	72.6	Confident	84 Å²	84	63.8 Å²	63.8	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-39.6	175	-73	-32.2	0	0	0	112.5	D864 Q865 I866 I870 L871 H872	D864-N868 PolarHBondContact O-N 2.82Å; D864-N868 PolarHBondContact O-ND2 3.14Å; Q865-N868 PolarHBondContact O-N 3.3Å; I866-N868 VanDerWaalsContact C-N 3.35Å; N868-I870 PolarHBondContact O-N 3.43Å; N868-L871 PolarHBondContact O-N 3.35Å; N868-H872 PolarHBondContact O-CD2 2.77Å; N868-H872 PolarHBondContact O-N 3.31Å
869	L	81.8	Confident	74.8	Confident	20 Å²	20	62.8 Å²	62.8	11%	0.105	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-41	174.2	-75	168.4	0	0	0	112.5	H817 I854 Y861 Q865 I866 H872 T873	H817-L869 HydrophobicContact CB-CB 4.31Å; I854-L869 HydrophobicContact CD1-CD2 4.1Å; I854-L869 HydrophobicContact CG2-CD2 3.72Å; Y861-L869 HydrophobicContact CD1-CD1 4.3Å; Y861-L869 HydrophobicContact CE1-CD1 3.77Å; Q865-L869 WeakPolarHBondContact O-CG 3.45Å; Q865-L869 PolarHBondContact O-N 3.46Å; I866-L869 PolarHBondContact O-N 2.75Å; L869-H872 PolarHBondContact O-N 3.47Å; L869-T873 PolarHBondContact O-N 2.84Å
870	I	86.8	Confident	76.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-48.4	174.5	-69.5	165	0	0	0	110.1	L775 V784 H817 I866 K867 N868 H872 T873 E874	L775-I870 HydrophobicContact CD1-CG2 4.37Å; V784-I870 HydrophobicContact CG1-CD1 4Å; V784-I870 HydrophobicContact CG1-CG1 4.39Å; V784-I870 HydrophobicContact CG2-CD1 3.85Å; H817-I870 HydrophobicContact CB-CG1 4.12Å; I866-I870 HydrophobicContact CG2-CD1 4.25Å; I866-I870 WeakPolarHBondContact O-CG1 3.19Å; I866-I870 PolarHBondContact O-N 2.96Å; K867-I870 PolarHBondContact O-N 3.35Å; N868-I870 PolarHBondContact O-N 3.43Å; I870-H872 VanDerWaalsContact C-N 3.32Å; I870-H872 PolarHBondContact O-N 3.38Å; I870-T873 PolarHBondContact O-N 3.34Å; I870-T873 VanDerWaalsContact O-N 3.11Å; I870-T873 PolarHBondContact O-OG1 3.39Å; I870-E874 HydrophobicContact CG2-CG 4.47Å; I870-E874 WeakPolarHBondContact O-CG 3.28Å; I870-E874 PolarHBondContact O-N 2.61Å
871	L	87.3	Confident	78.2	Confident	18 Å²	18	49.5 Å²	49.5	9%	0.094	25%	0.254	C	S	.	.	H	α-helix	trans	-57.1	-42.7	176.5	178.8	72.4	0	0	0	112.3	K867 N868 T873 E874 I875 L885 H902	K867-L871 PolarHBondContact O-N 3.22Å; N868-L871 PolarHBondContact O-N 3.35Å; L871-T873 VanDerWaalsContact C-N 3.31Å; L871-T873 PolarHBondContact O-N 3.17Å; L871-E874 PolarHBondContact O-N 3.13Å; L871-I875 HydrophobicContact CD1-CD1 4.25Å; L871-I875 HydrophobicContact CD1-CG1 4.37Å; L871-I875 HydrophobicContact CD2-CD1 4.27Å; L871-I875 HydrophobicContact CG-CD1 3.84Å; L871-I875 HydrophobicContact CG-CG1 4.35Å; L871-I875 WeakPolarHBondContact O-CG1 3.25Å; L871-I875 PolarHBondContact O-N 3.43Å; L871-L885 HydrophobicContact CD1-CD2 4.35Å; L871-H902 HydrophobicContact CD1-CB 4.47Å; L871-H902 WeakPolarHBondContact CD2-CD2 3.37Å
872	H	85	Confident	79.4	Confident	110 Å²	110	46 Å²	46	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-62.1	-36	177.3	-81.5	-63.6	0	0	0	113	I854 N868 L869 I870 A876	I854-H872 HydrophobicContact CD1-CB 4.08Å; N868-H872 PolarHBondContact O-CD2 2.77Å; N868-H872 PolarHBondContact O-N 3.31Å; L869-H872 PolarHBondContact O-N 3.47Å; I870-H872 VanDerWaalsContact C-N 3.32Å; I870-H872 PolarHBondContact O-N 3.38Å; H872-A876 PolarHBondContact O-N 3.08Å; H872-A876 VanDerWaalsContact O-N 3.13Å
873	T	84.6	Confident	80.3	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-72.7	-32.2	174.3	67	0	0	0	0	113	A816 H817 F818 L869 I870 L871 A877	A816-T873 HydrophobicContact CB-CG2 3.95Å; H817-T873 WeakPolarHBondContact O-CG2 3.46Å; H817-T873 PolarHBondContact O-OG1 3.08Å; F818-T873 HydrophobicContact CE1-CG2 4.36Å; L869-T873 PolarHBondContact O-N 2.84Å; I870-T873 PolarHBondContact O-N 3.34Å; I870-T873 VanDerWaalsContact O-N 3.11Å; I870-T873 PolarHBondContact O-OG1 3.39Å; L871-T873 VanDerWaalsContact C-N 3.31Å; L871-T873 PolarHBondContact O-N 3.17Å; T873-A877 WeakPolarHBondContact O-CB 3.47Å; T873-A877 PolarHBondContact O-N 3.22Å
874	E	87.9	Confident	81.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.7	-38.1	175.9	-68.5	167.2	151.6	0	0	111.5	R757 S819 L823 I870 L871 A877 D878 M883 L885	R757-E874 IonicContact CZ-OE1 3.77Å; R757-E874 IonicContact CZ-OE2 3.44Å; R757-E874 IonicContact NH1-OE1 2.76Å; R757-E874 PolarHBondContact NH1-OE1 3.49Å; R757-E874 IonicContact NH1-OE2 2.7Å; R757-E874 PolarHBondContact NH1-OE2 3.09Å; R757-E874 IonicContact NH2-OE2 2.68Å; R757-E874 PolarHBondContact NH2-OE2 3.17Å; S819-E874 VanDerWaalsContact CB-OE1 3.29Å; S819-E874 WeakPolarHBondContact CB-OE1 3.47Å; S819-E874 PolarHBondContact OG-OE1 3.12Å; L823-E874 HydrophobicContact CD1-CG 4.22Å; I870-E874 HydrophobicContact CG2-CG 4.47Å; I870-E874 WeakPolarHBondContact O-CG 3.28Å; I870-E874 PolarHBondContact O-N 2.61Å; L871-E874 PolarHBondContact O-N 3.13Å; E874-A877 PolarHBondContact O-N 2.75Å; E874-D878 PolarHBondContact O-N 3.37Å; E874-M883 HydrophobicContact CB-SD 4.16Å; E874-M883 HydrophobicContact CG-SD 4.31Å; E874-L885 HydrophobicContact CB-CD1 4.34Å
875	I	86.1	Confident	82.1	Confident	56 Å²	56	35.7 Å²	35.7	29%	0.287	18%	0.184	S	C	.	.	H	α-helix	trans	-61.8	-47.6	171.5	-70.5	167.7	0	0	0	110.7	L871 A877 D878 Q879 L885	L871-I875 HydrophobicContact CD1-CD1 4.25Å; L871-I875 HydrophobicContact CD1-CG1 4.37Å; L871-I875 HydrophobicContact CD2-CD1 4.27Å; L871-I875 HydrophobicContact CG-CD1 3.84Å; L871-I875 HydrophobicContact CG-CG1 4.35Å; L871-I875 WeakPolarHBondContact O-CG1 3.25Å; L871-I875 PolarHBondContact O-N 3.43Å; I875-A877 PolarHBondContact O-N 3Å; I875-D878 PolarHBondContact O-N 2.91Å; I875-Q879 WeakPolarHBondContact O-CG 3.41Å; I875-Q879 PolarHBondContact O-N 2.92Å; I875-L885 HydrophobicContact CG1-CD2 3.69Å
876	A	83.2	Confident	82.9	Confident	16 Å²	16	31.7 Å²	31.7	13%	0.132	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-29.7	175.8	0	0	0	0	0	112.3	F850 H872 S880	F850-A876 HydrophobicContact CE2-CB 3.79Å; F850-A876 WeakPolarHBondContact CE2-O 3.4Å; F850-A876 HydrophobicContact CZ-CB 4.29Å; H872-A876 PolarHBondContact O-N 3.08Å; H872-A876 VanDerWaalsContact O-N 3.13Å; A876-S880 WeakPolarHBondContact O-CB 3.18Å; A876-S880 PolarHBondContact O-N 2.89Å; A876-S880 PolarHBondContact O-OG 3.4Å
877	A	83.2	Confident	83.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-77.3	-33.4	179.2	0	0	0	0	0	112.6	L823 F850 T873 E874 I875 S880 G881 L882 M883	L823-A877 HydrophobicContact CD2-CB 3.8Å; F850-A877 HydrophobicContact CE2-CB 4.22Å; T873-A877 WeakPolarHBondContact O-CB 3.47Å; T873-A877 PolarHBondContact O-N 3.22Å; E874-A877 PolarHBondContact O-N 2.75Å; I875-A877 PolarHBondContact O-N 3Å; A877-S880 WeakPolarHBondContact CA-OG 3.28Å; A877-S880 PolarHBondContact O-N 3.44Å; A877-S880 PolarHBondContact O-OG 3.36Å; A877-G881 PolarHBondContact O-N 2.71Å; A877-L882 HydrophobicContact CB-CB 4.26Å; A877-L882 PolarHBondContact O-N 2.86Å; A877-M883 HydrophobicContact CB-CG 3.68Å; A877-M883 HydrophobicContact CB-SD 3.68Å; A877-M883 PolarHBondContact O-N 2.74Å
878	D	84.4	Confident	83.9	Confident	16 Å²	16	29.2 Å²	29.2	9%	0.086	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-45.9	168.5	-173	78	0	0	0	111.1	K730 E874 I875 S880 G881 I884 L885	K730-D878 IonicContact NZ-OD1 2.75Å; K730-D878 PolarHBondContact NZ-OD1 3.48Å; K730-D878 IonicContact NZ-OD2 2.72Å; K730-D878 PolarHBondContact NZ-OD2 2.86Å; E874-D878 PolarHBondContact O-N 3.37Å; I875-D878 PolarHBondContact O-N 2.91Å; D878-S880 PolarHBondContact O-N 3.08Å; D878-S880 VanDerWaalsContact O-N 3.13Å; D878-G881 PolarHBondContact O-N 2.94Å; D878-G881 VanDerWaalsContact O-N 3.13Å; D878-I884 VanDerWaalsContact OD1-CA 3.32Å; D878-I884 WeakPolarHBondContact OD1-CA 3.23Å; D878-L885 HydrophobicContact CB-CB 3.83Å; D878-L885 PolarHBondContact OD1-N 3.18Å
879	Q	80.6	Confident	84.1	Confident	144 Å²	144	25.2 Å²	25.2	67%	0.673	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.2	177.6	-71.7	177.2	-17.9	0	0	114.5	I875	I875-Q879 WeakPolarHBondContact O-CG 3.41Å; I875-Q879 PolarHBondContact O-N 2.92Å
880	S	74.9	Confident	83.9	Confident	45 Å²	45	27.9 Å²	27.9	32%	0.315	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	5.7	177.9	52	0	0	0	0	113.9	F850 A876 A877 D878 L882	F850-S880 VanDerWaalsContact CD2-OG 3.3Å; F850-S880 WeakPolarHBondContact CD2-OG 3.18Å; A876-S880 WeakPolarHBondContact O-CB 3.18Å; A876-S880 PolarHBondContact O-N 2.89Å; A876-S880 PolarHBondContact O-OG 3.4Å; A877-S880 WeakPolarHBondContact CA-OG 3.28Å; A877-S880 PolarHBondContact O-N 3.44Å; A877-S880 PolarHBondContact O-OG 3.36Å; D878-S880 PolarHBondContact O-N 3.08Å; D878-S880 VanDerWaalsContact O-N 3.13Å; S880-L882 VanDerWaalsContact C-N 3.25Å; S880-L882 PolarHBondContact O-N 2.91Å
881	G	74.6	Confident	83.5	Confident	13 Å²	13	29.9 Å²	29.9	13%	0.134	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	21.6	179.8	0	0	0	0	0	114.9	S708 A877 D878	S708-G881 VanDerWaalsContact CB-CA 3.43Å; A877-G881 PolarHBondContact O-N 2.71Å; D878-G881 PolarHBondContact O-N 2.94Å; D878-G881 VanDerWaalsContact O-N 3.13Å
882	L	75.6	Confident	83.3	Confident	22 Å²	22	29 Å²	29	12%	0.115	16%	0.161	C	C	.	.	S	Bend	trans	-86.1	-20.6	177.9	-67.2	178.4	0	0	0	113.2	R822 L826 M830 F850 A877 S880	R822-L882 PolarHBondContact NH2-O 3.2Å; L826-L882 HydrophobicContact CB-CD1 4.41Å; L826-L882 HydrophobicContact CD1-CB 4.4Å; L826-L882 HydrophobicContact CD1-CD2 4.38Å; L826-L882 HydrophobicContact CD2-CD2 4.4Å; M830-L882 HydrophobicContact CE-CD1 4.37Å; M830-L882 HydrophobicContact CE-CD2 3.77Å; M830-L882 HydrophobicContact CE-CG 4.44Å; M830-L882 HydrophobicContact SD-CD1 3.87Å; M830-L882 HydrophobicContact SD-CD2 4.27Å; F850-L882 HydrophobicContact CD2-CD1 3.84Å; F850-L882 HydrophobicContact CE2-CD1 4.11Å; F850-L882 HydrophobicContact CG-CD1 4.13Å; A877-L882 HydrophobicContact CB-CB 4.26Å; A877-L882 PolarHBondContact O-N 2.86Å; S880-L882 VanDerWaalsContact C-N 3.25Å; S880-L882 PolarHBondContact O-N 2.91Å
883	M	80.4	Confident	83.1	Confident	12 Å²	12	27.3 Å²	27.3	6%	0.059	16%	0.161	C	C	.	.	S	Bend	trans	-152.3	176.1	170.8	68.8	-175.3	-65.8	0	0	109	L823 E874 A877	L823-M883 HydrophobicContact CD1-CE 4.49Å; L823-M883 HydrophobicContact CD1-SD 3.84Å; L823-M883 HydrophobicContact CD2-CB 4.43Å; L823-M883 HydrophobicContact CD2-CG 4.37Å; L823-M883 HydrophobicContact CD2-SD 3.73Å; L823-M883 HydrophobicContact CG-SD 4.41Å; E874-M883 HydrophobicContact CB-SD 4.16Å; E874-M883 HydrophobicContact CG-SD 4.31Å; A877-M883 HydrophobicContact CB-CG 3.68Å; A877-M883 HydrophobicContact CB-SD 3.68Å; A877-M883 PolarHBondContact O-N 2.74Å
884	I	83.4	Confident	83	Confident	8 Å²	8	30.3 Å²	30.3	4%	0.041	17%	0.172	C	C	.	.			trans	-110.2	124.9	161.4	-57.5	155	0	0	0	106.9	F703 E704 L707 F760 D878 A886 V897	F703-I884 HydrophobicContact CD1-CD1 4.43Å; F703-I884 HydrophobicContact CE1-CD1 4.22Å; E704-I884 HydrophobicContact CG-CD1 4.2Å; L707-I884 HydrophobicContact CB-CD1 3.95Å; L707-I884 HydrophobicContact CB-CG1 4.23Å; L707-I884 HydrophobicContact CD1-CD1 3.62Å; L707-I884 HydrophobicContact CG-CD1 4.42Å; F760-I884 HydrophobicContact CB-CD1 4.43Å; F760-I884 HydrophobicContact CD2-CB 4.07Å; F760-I884 HydrophobicContact CD2-CD1 3.88Å; F760-I884 HydrophobicContact CD2-CG2 4.36Å; F760-I884 HydrophobicContact CE2-CB 4.46Å; F760-I884 HydrophobicContact CE2-CD1 4.47Å; F760-I884 HydrophobicContact CE2-CG2 4.25Å; F760-I884 HydrophobicContact CG-CD1 4.37Å; D878-I884 VanDerWaalsContact OD1-CA 3.32Å; D878-I884 WeakPolarHBondContact OD1-CA 3.23Å; I884-A886 HydrophobicContact CG2-CB 4.32Å; I884-A886 PolarHBondContact O-N 3.34Å; I884-V897 HydrophobicContact CG2-CB 4.45Å; I884-V897 HydrophobicContact CG2-CG1 3.66Å
885	L	88.5	Confident	83	Confident	6 Å²	6	31.5 Å²	31.5	3%	0.031	18%	0.179	C	C	.	.			trans	-86.4	105.4	173.6	-178.6	59.4	0	0	0	109.4	L871 E874 I875 D878 Y887 V901	L871-L885 HydrophobicContact CD1-CD2 4.35Å; E874-L885 HydrophobicContact CB-CD1 4.34Å; I875-L885 HydrophobicContact CG1-CD2 3.69Å; D878-L885 HydrophobicContact CB-CB 3.83Å; D878-L885 PolarHBondContact OD1-N 3.18Å; L885-Y887 HydrophobicContact CD1-CE2 3.94Å; L885-Y887 HydrophobicContact CG-CE2 4.2Å; L885-V901 HydrophobicContact CB-CG1 4.38Å; L885-V901 HydrophobicContact CD2-CG1 3.82Å; L885-V901 HydrophobicContact CG-CG1 3.82Å
886	A	90.7	Very high	83.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.5	-170.2	0	0	0	0	0	113.5	R757 V758 F760 I884 F896 V897	R757-A886 WeakPolarHBondContact CA-O 3.14Å; V758-A886 HydrophobicContact CB-CB 3.94Å; V758-A886 PolarHBondContact N-O 3.25Å; F760-A886 HydrophobicContact CD2-CB 4.46Å; F760-A886 HydrophobicContact CE2-CB 3.58Å; F760-A886 HydrophobicContact CZ-CB 4.33Å; I884-A886 HydrophobicContact CG2-CB 4.32Å; I884-A886 PolarHBondContact O-N 3.34Å; A886-F896 WeakPolarHBondContact CA-O 3.13Å; A886-V897 HydrophobicContact CB-CG1 3.45Å; A886-V897 VanDerWaalsContact CB-CG1 3.45Å
887	Y	92.2	Very high	83.5	Confident	7 Å²	7	28.1 Å²	28.1	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.2	176.6	-69	-109.2	0	0	0	110.6	G756 R757 L885 L895 F896 V901 F905	G756-Y887 CarbonylContact O-C 3.55Å; G756-Y887 WeakPolarHBondContact O-CA 3.47Å; R757-Y887 HydrophobicContact CG-CD1 3.88Å; R757-Y887 HydrophobicContact CG-CE1 3.51Å; R757-Y887 HydrophobicContact CG-CE2 4.29Å; R757-Y887 HydrophobicContact CG-CG 4.45Å; R757-Y887 PolarHBondContact NE-OH 3.35Å; R757-Y887 PolarHBondContact NH2-OH 3.22Å; L885-Y887 HydrophobicContact CD1-CE2 3.94Å; L885-Y887 HydrophobicContact CG-CE2 4.2Å; Y887-L895 CarbonylContact O-C 3.23Å; Y887-L895 WeakPolarHBondContact O-CA 3.42Å; Y887-F896 PolarHBondContact N-O 3.07Å; Y887-F896 PolarHBondContact O-N 3.23Å; Y887-V901 HydrophobicContact CD2-CG2 3.82Å; Y887-V901 HydrophobicContact CE2-CG2 4.48Å; Y887-F905 VanDerWaalsContact CB-CD2 3.49Å; Y887-F905 HydrophobicContact CD1-CB 4.43Å; Y887-F905 AromaticContact CD1-CD1 3.37Å; Y887-F905 HydrophobicContact CD1-CD1 3.37Å; Y887-F905 HydrophobicContact CD1-CD2 4.26Å; Y887-F905 AromaticContact CD1-CE1 3.52Å; Y887-F905 HydrophobicContact CD1-CE1 3.52Å; Y887-F905 HydrophobicContact CD1-CE2 4.37Å; Y887-F905 AromaticContact CD1-CG 3.76Å; Y887-F905 HydrophobicContact CD1-CG 3.76Å; Y887-F905 HydrophobicContact CD1-CZ 4.02Å; Y887-F905 AromaticContact CE1-CD1 3.93Å; Y887-F905 HydrophobicContact CE1-CD1 3.93Å; Y887-F905 HydrophobicContact CE1-CE1 4.11Å; Y887-F905 HydrophobicContact CG-CB 4.17Å; Y887-F905 AromaticContact CG-CD1 3.95Å; Y887-F905 HydrophobicContact CG-CD1 3.95Å; Y887-F905 HydrophobicContact CG-CD2 4.23Å; Y887-F905 HydrophobicContact CG-CE1 4.39Å; Y887-F905 AromaticContact CG-CG 3.84Å; Y887-F905 HydrophobicContact CG-CG 3.84Å
888	C	88.9	Confident	83.7	Confident	33 Å²	33	28.4 Å²	28.4	22%	0.223	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.8	174.7	179.9	0	0	0	0	109.3	G756 V758 R894 L895	G756-C888 WeakPolarHBondContact CA-O 3.36Å; G756-C888 PolarHBondContact O-N 3.35Å; V758-C888 HydrophobicContact CG2-CB 3.6Å; C888-R894 WeakPolarHBondContact CA-O 3.41Å; C888-L895 HydrophobicContact CB-CD2 3.77Å
889	C	85.6	Confident	83.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.			trans	-82.7	123	-179.2	-177.3	0	0	0	0	111.7	N891 C892 S893 R894 F896 F905 C912	C889-N891 PolarHBondContact O-N 3.14Å; C889-N891 VanDerWaalsContact O-N 3.15Å; C889-C892 WeakPolarHBondContact CB-SG 3.38Å; C889-C892 PolarHBondContact O-N 3.38Å; C889-S893 WeakPolarHBondContact O-CA 3.29Å; C889-S893 PolarHBondContact O-N 3.11Å; C889-R894 PolarHBondContact N-O 3.15Å; C889-F896 HydrophobicContact CB-CE2 4.43Å; C889-F905 HydrophobicContact CB-CE2 4.18Å; C889-C912 PolarHBondContact SG-SG 3.27Å
890	P	77.8	Confident	83.9	Confident	77 Å²	77	29 Å²	29	50%	0.5	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.8	-171.1	27.3	-36.2	0	0	0	114.7
891	N	79.1	Confident	84.5	Confident	41 Å²	41	27.2 Å²	27.2	22%	0.219	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-17.1	-175.6	-57.8	-28.4	0	0	0	113.5	V661 K662 H663 C889 C912	V661-N891 HydrophobicContact CG1-CB 4.38Å; K662-N891 CarbonylContact C-O 2.89Å; K662-N891 CarbonylContact O-C 3.59Å; K662-N891 VanDerWaalsContact O-C 3.23Å; K662-N891 WeakPolarHBondContact O-CB 3.47Å; K662-N891 VanDerWaalsContact O-O 3.09Å; H663-N891 WeakPolarHBondContact CA-O 3.42Å; C889-N891 PolarHBondContact O-N 3.14Å; C889-N891 VanDerWaalsContact O-N 3.15Å; N891-C912 PolarHBondContact ND2-O 3.31Å
892	C	82.5	Confident	85.2	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.007	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-9.6	-175.9	70.3	0	0	0	0	115.2	K664 L665 C889 R894 H908 C912	K664-C892 CarbonylContact C-O 3.55Å; L665-C892 WeakPolarHBondContact CG-O 3.42Å; L665-C892 PolarHBondContact N-O 2.86Å; C889-C892 WeakPolarHBondContact CB-SG 3.38Å; C889-C892 PolarHBondContact O-N 3.38Å; C892-R894 PolarHBondContact O-N 3.08Å; C892-R894 PolarHBondContact SG-N 2.96Å; C892-R894 VanDerWaalsContact SG-N 3.35Å; C892-H908 PolarHBondContact SG-NE2 3.24Å; C892-C912 VanDerWaalsContact SG-SG 3.63Å
893	S	82.1	Confident	85.8	Confident	74 Å²	74	31.5 Å²	31.5	52%	0.517	18%	0.178	S	C	.	.			trans	64.1	4.1	-172.9	-55.2	0	0	0	0	116.8	C889 L895	C889-S893 WeakPolarHBondContact O-CA 3.29Å; C889-S893 PolarHBondContact O-N 3.11Å; S893-L895 PolarHBondContact O-N 2.77Å
894	R	82.6	Confident	86.3	Confident	65 Å²	65	32.4 Å²	32.4	25%	0.245	18%	0.181	C	C	.	.			trans	-61.3	132.9	176.4	-178.3	172	168.4	-180	-7.5	111.1	D727 E731 C888 C889 C892 F896	D727-R894 IonicContact OD1-CZ 2.94Å; D727-R894 IonicContact OD1-NH1 2.73Å; D727-R894 IonicContact OD1-NH2 3.94Å; D727-R894 PolarHBondContact OD1-NH2 3.07Å; D727-R894 IonicContact OD2-NH2 3.87Å; D727-R894 PolarHBondContact OD2-NH2 3.27Å; E731-R894 IonicContact OE2-NH2 3.54Å; E731-R894 PolarHBondContact OE2-NH2 3.05Å; E731-R894 VanDerWaalsContact OE2-NH2 3.16Å; C888-R894 WeakPolarHBondContact CA-O 3.41Å; C889-R894 PolarHBondContact N-O 3.15Å; C892-R894 PolarHBondContact O-N 3.08Å; C892-R894 PolarHBondContact SG-N 2.96Å; C892-R894 VanDerWaalsContact SG-N 3.35Å; R894-F896 HydrophobicContact CB-CE2 4.09Å; R894-F896 HydrophobicContact CB-CZ 4.35Å; R894-F896 HydrophobicContact CG-CE1 4.47Å; R894-F896 HydrophobicContact CG-CE2 3.78Å; R894-F896 HydrophobicContact CG-CZ 3.75Å
895	L	87.1	Confident	86.7	Confident	25 Å²	25	32.3 Å²	32.3	13%	0.131	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	152.2	174.7	-74.5	162.8	0	0	0	111.9	L734 L738 V758 Y887 C888 S893	L734-L895 HydrophobicContact CD2-CB 4.17Å; L734-L895 HydrophobicContact CD2-CD1 4.24Å; L734-L895 HydrophobicContact CG-CD1 4.33Å; L738-L895 HydrophobicContact CD1-CD1 3.68Å; V758-L895 HydrophobicContact CG2-CD2 4.08Å; Y887-L895 CarbonylContact O-C 3.23Å; Y887-L895 WeakPolarHBondContact O-CA 3.42Å; C888-L895 HydrophobicContact CB-CD2 3.77Å; S893-L895 PolarHBondContact O-N 2.77Å
896	F	89.9	Confident	86.7	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135	177.7	-60.7	-92.6	0	0	0	110.5	E731 A886 Y887 C889 R894 V901 R904 F905 H908	E731-F896 VanDerWaalsContact OE1-CA 3.25Å; E731-F896 WeakPolarHBondContact OE1-CA 3.36Å; A886-F896 WeakPolarHBondContact CA-O 3.13Å; Y887-F896 PolarHBondContact N-O 3.07Å; Y887-F896 PolarHBondContact O-N 3.23Å; C889-F896 HydrophobicContact CB-CE2 4.43Å; R894-F896 HydrophobicContact CB-CE2 4.09Å; R894-F896 HydrophobicContact CB-CZ 4.35Å; R894-F896 HydrophobicContact CG-CE1 4.47Å; R894-F896 HydrophobicContact CG-CE2 3.78Å; R894-F896 HydrophobicContact CG-CZ 3.75Å; F896-V901 VanDerWaalsContact C-CG2 3.49Å; F896-V901 HydrophobicContact CB-CG2 3.84Å; F896-V901 WeakPolarHBondContact O-CG2 3.47Å; F896-R904 HydrophobicContact CD1-CB 4.47Å; F896-F905 HydrophobicContact CB-CB 4.46Å; F896-F905 HydrophobicContact CD2-CB 4.34Å; F896-F905 AromaticContact CD2-CD2 3.9Å; F896-F905 HydrophobicContact CD2-CD2 3.9Å; F896-F905 HydrophobicContact CE2-CD2 4.26Å; F896-F905 HydrophobicContact CG-CB 4.31Å; F896-H908 HydrophobicContact CE1-CB 4Å; F896-H908 HydrophobicContact CE2-CB 4.28Å; F896-H908 AromaticContact CE2-CD2 3.77Å; F896-H908 HydrophobicContact CZ-CB 3.51Å; F896-H908 AromaticContact CZ-CD2 3.57Å; F896-H908 AromaticContact CZ-CG 3.35Å; F896-H908 AromaticContact CZ-ND1 3.9Å
897	V	90.2	Very high	86.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	163.8	176.2	-77.3	0	0	0	0	112.1	N728 K730 E731 L734 I884 A886 R904	N728-V897 PolarHBondContact ND2-O 3.27Å; K730-V897 VanDerWaalsContact C-CG2 3.5Å; K730-V897 HydrophobicContact CB-CG2 4.2Å; K730-V897 HydrophobicContact CG-CB 4.32Å; K730-V897 HydrophobicContact CG-CG2 3.88Å; K730-V897 WeakPolarHBondContact O-CG2 3.21Å; E731-V897 HydrophobicContact CB-CG2 4.19Å; E731-V897 HydrophobicContact CG-CB 4.48Å; E731-V897 HydrophobicContact CG-CG2 3.52Å; E731-V897 PolarHBondContact OE1-N 2.73Å; L734-V897 HydrophobicContact CB-CG2 4.31Å; L734-V897 HydrophobicContact CD2-CB 4.39Å; L734-V897 HydrophobicContact CD2-CG1 3.65Å; L734-V897 HydrophobicContact CD2-CG2 3.8Å; I884-V897 HydrophobicContact CG2-CB 4.45Å; I884-V897 HydrophobicContact CG2-CG1 3.66Å; A886-V897 HydrophobicContact CB-CG1 3.45Å; A886-V897 VanDerWaalsContact CB-CG1 3.45Å; V897-R904 PolarHBondContact O-NH2 3.08Å
898	G	85.9	Confident	86.5	Confident	5 Å²	5	41.7 Å²	41.7	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	87.1	-152.9	174.5	0	0	0	0	0	114.4	N900 V901	G898-N900 PolarHBondContact O-N 3.19Å; G898-V901 VanDerWaalsContact O-CB 3.27Å; G898-V901 WeakPolarHBondContact O-CB 3.43Å; G898-V901 WeakPolarHBondContact O-CG1 3.24Å; G898-V901 PolarHBondContact O-N 2.88Å
899	D	84.4	Confident	86.4	Confident	62 Å²	62	44.1 Å²	44.1	33%	0.332	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	136.7	-170.2	-71	-17.4	0	0	0	111.3	G712 K713 V901 R904	G712-D899 VanDerWaalsContact O-CB 3.3Å; G712-D899 WeakPolarHBondContact O-CB 3.3Å; G712-D899 PolarHBondContact O-N 3.38Å; K713-D899 VanDerWaalsContact CA-OD2 3.32Å; K713-D899 WeakPolarHBondContact CA-OD2 3.24Å; K713-D899 PolarHBondContact N-OD2 3.47Å; D899-V901 PolarHBondContact O-N 2.87Å; D899-R904 VanDerWaalsContact O-CZ 3.32Å; D899-R904 PolarHBondContact O-NE 3.47Å; D899-R904 PolarHBondContact O-NH2 2.9Å
900	N	85.2	Confident	86.5	Confident	112 Å²	112	47.3 Å²	47.3	60%	0.599	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	23.8	-179.6	-57.7	-57.7	0	0	0	114.5	G898 H902 T903 R904	G898-N900 PolarHBondContact O-N 3.19Å; N900-H902 PolarHBondContact O-N 3.45Å; N900-T903 PolarHBondContact O-N 2.95Å; N900-T903 VanDerWaalsContact O-N 3.09Å; N900-T903 PolarHBondContact O-OG1 3.03Å; N900-T903 VanDerWaalsContact O-OG1 3.1Å; N900-R904 PolarHBondContact O-N 3.44Å
901	V	88.3	Confident	86.9	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-47.6	-41.4	-177.3	57	0	0	0	0	113.5	L885 Y887 F896 G898 D899 F905	L885-V901 HydrophobicContact CB-CG1 4.38Å; L885-V901 HydrophobicContact CD2-CG1 3.82Å; L885-V901 HydrophobicContact CG-CG1 3.82Å; Y887-V901 HydrophobicContact CD2-CG2 3.82Å; Y887-V901 HydrophobicContact CE2-CG2 4.48Å; F896-V901 VanDerWaalsContact C-CG2 3.49Å; F896-V901 HydrophobicContact CB-CG2 3.84Å; F896-V901 WeakPolarHBondContact O-CG2 3.47Å; G898-V901 VanDerWaalsContact O-CB 3.27Å; G898-V901 WeakPolarHBondContact O-CB 3.43Å; G898-V901 WeakPolarHBondContact O-CG1 3.24Å; G898-V901 PolarHBondContact O-N 2.88Å; D899-V901 PolarHBondContact O-N 2.87Å; V901-F905 VanDerWaalsContact O-CB 3.22Å; V901-F905 WeakPolarHBondContact O-CB 3.44Å; V901-F905 PolarHBondContact O-N 2.74Å
902	H	88.5	Confident	87.1	Confident	47 Å²	47	46.7 Å²	46.7	22%	0.218	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-47.7	-178.8	-176.8	26.6	0	0	0	112.6	L871 N900 F905 E906	L871-H902 HydrophobicContact CD1-CB 4.47Å; L871-H902 WeakPolarHBondContact CD2-CD2 3.37Å; N900-H902 PolarHBondContact O-N 3.45Å; H902-F905 PolarHBondContact O-N 2.72Å; H902-E906 IonicContact CE1-OE1 3.32Å; H902-E906 PolarHBondContact CE1-OE1 3.02Å; H902-E906 IonicContact CE1-OE2 3.12Å; H902-E906 IonicContact ND1-OE1 3.96Å; H902-E906 IonicContact NE2-OE1 2.85Å; H902-E906 WeakPolarHBondContact O-CG 3.44Å; H902-E906 PolarHBondContact O-N 3.43Å
903	T	89.4	Confident	87.1	Confident	79 Å²	79	49.8 Å²	49.8	49%	0.485	26%	0.264	S	S	.	.	H	α-helix	trans	-74.8	-31.7	-177.8	58.5	0	0	0	0	111.9	N900 E906 S907	N900-T903 PolarHBondContact O-N 2.95Å; N900-T903 VanDerWaalsContact O-N 3.09Å; N900-T903 PolarHBondContact O-OG1 3.03Å; N900-T903 VanDerWaalsContact O-OG1 3.1Å; T903-E906 PolarHBondContact O-N 3.39Å; T903-S907 WeakPolarHBondContact O-CB 3.5Å; T903-S907 PolarHBondContact O-N 3.31Å
904	R	90	Very high	87	Confident	31 Å²	31	48.4 Å²	48.4	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-42.8	171.8	-65.3	-171.3	-64.5	96.4	-2.5	111.5	D727 N728 E731 F896 V897 D899 N900 H908	D727-R904 VanDerWaalsContact CB-NH1 3.29Å; D727-R904 WeakPolarHBondContact OD2-CD 3.25Å; D727-R904 IonicContact OD2-CZ 3.91Å; D727-R904 IonicContact OD2-NH1 3.73Å; D727-R904 PolarHBondContact OD2-NH1 3.49Å; N728-R904 PolarHBondContact ND2-NH2 3.26Å; E731-R904 IonicContact OE1-CZ 2.9Å; E731-R904 IonicContact OE1-NH1 2.63Å; E731-R904 PolarHBondContact OE1-NH1 2.87Å; E731-R904 IonicContact OE1-NH2 2.68Å; E731-R904 PolarHBondContact OE1-NH2 3.19Å; E731-R904 IonicContact OE2-NH1 3.22Å; F896-R904 HydrophobicContact CD1-CB 4.47Å; V897-R904 PolarHBondContact O-NH2 3.08Å; D899-R904 VanDerWaalsContact O-CZ 3.32Å; D899-R904 PolarHBondContact O-NE 3.47Å; D899-R904 PolarHBondContact O-NH2 2.9Å; N900-R904 PolarHBondContact O-N 3.44Å; R904-H908 WeakPolarHBondContact O-CB 3.04Å; R904-H908 PolarHBondContact O-N 3.41Å
905	F	90.9	Very high	86.8	Confident	5 Å²	5	47.8 Å²	47.8	2%	0.022	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-45.5	171.2	170.8	-103.7	0	0	0	112.6	C755 Y887 C889 F896 V901 H902 R909	C755-F905 WeakPolarHBondContact O-CE1 3.47Å; C755-F905 WeakPolarHBondContact O-CZ 3.27Å; Y887-F905 VanDerWaalsContact CB-CD2 3.49Å; Y887-F905 HydrophobicContact CD1-CB 4.43Å; Y887-F905 AromaticContact CD1-CD1 3.37Å; Y887-F905 HydrophobicContact CD1-CD1 3.37Å; Y887-F905 HydrophobicContact CD1-CD2 4.26Å; Y887-F905 AromaticContact CD1-CE1 3.52Å; Y887-F905 HydrophobicContact CD1-CE1 3.52Å; Y887-F905 HydrophobicContact CD1-CE2 4.37Å; Y887-F905 AromaticContact CD1-CG 3.76Å; Y887-F905 HydrophobicContact CD1-CG 3.76Å; Y887-F905 HydrophobicContact CD1-CZ 4.02Å; Y887-F905 AromaticContact CE1-CD1 3.93Å; Y887-F905 HydrophobicContact CE1-CD1 3.93Å; Y887-F905 HydrophobicContact CE1-CE1 4.11Å; Y887-F905 HydrophobicContact CG-CB 4.17Å; Y887-F905 AromaticContact CG-CD1 3.95Å; Y887-F905 HydrophobicContact CG-CD1 3.95Å; Y887-F905 HydrophobicContact CG-CD2 4.23Å; Y887-F905 HydrophobicContact CG-CE1 4.39Å; Y887-F905 AromaticContact CG-CG 3.84Å; Y887-F905 HydrophobicContact CG-CG 3.84Å; C889-F905 HydrophobicContact CB-CE2 4.18Å; F896-F905 HydrophobicContact CB-CB 4.46Å; F896-F905 HydrophobicContact CD2-CB 4.34Å; F896-F905 AromaticContact CD2-CD2 3.9Å; F896-F905 HydrophobicContact CD2-CD2 3.9Å; F896-F905 HydrophobicContact CE2-CD2 4.26Å; F896-F905 HydrophobicContact CG-CB 4.31Å; V901-F905 VanDerWaalsContact O-CB 3.22Å; V901-F905 WeakPolarHBondContact O-CB 3.44Å; V901-F905 PolarHBondContact O-N 2.74Å; H902-F905 PolarHBondContact O-N 2.72Å; F905-R909 WeakPolarHBondContact O-CA 3.46Å; F905-R909 WeakPolarHBondContact O-CB 2.99Å; F905-R909 PolarHBondContact O-N 3.15Å
906	E	88.9	Confident	86	Confident	102 Å²	102	47.1 Å²	47.1	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-41.8	179.7	-75.1	-169.9	147.7	0	0	112.9	H902 T903 R909 S910	H902-E906 IonicContact CE1-OE1 3.32Å; H902-E906 PolarHBondContact CE1-OE1 3.02Å; H902-E906 IonicContact CE1-OE2 3.12Å; H902-E906 IonicContact ND1-OE1 3.96Å; H902-E906 IonicContact NE2-OE1 2.85Å; H902-E906 WeakPolarHBondContact O-CG 3.44Å; H902-E906 PolarHBondContact O-N 3.43Å; T903-E906 PolarHBondContact O-N 3.39Å; E906-R909 PolarHBondContact O-N 3.35Å; E906-S910 PolarHBondContact O-N 3.33Å
907	S	88.9	Confident	84.9	Confident	68 Å²	68	47.1 Å²	47.1	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-56.9	-54.1	172.6	179.2	0	0	0	0	110.5	T903 R909 S910 I911	T903-S907 WeakPolarHBondContact O-CB 3.5Å; T903-S907 PolarHBondContact O-N 3.31Å; S907-R909 PolarHBondContact O-N 3.25Å; S907-S910 PolarHBondContact O-N 3.29Å; S907-S910 PolarHBondContact O-OG 2.71Å; S907-I911 PolarHBondContact O-N 3.31Å
908	H	89.6	Confident	83.4	Confident	41 Å²	41	50.9 Å²	50.9	19%	0.19	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-47.3	175	177.5	82.3	0	0	0	111.6	C892 F896 R904 S910 I911 C912	C892-H908 PolarHBondContact SG-NE2 3.24Å; F896-H908 HydrophobicContact CE1-CB 4Å; F896-H908 HydrophobicContact CE2-CB 4.28Å; F896-H908 AromaticContact CE2-CD2 3.77Å; F896-H908 HydrophobicContact CZ-CB 3.51Å; F896-H908 AromaticContact CZ-CD2 3.57Å; F896-H908 AromaticContact CZ-CG 3.35Å; F896-H908 AromaticContact CZ-ND1 3.9Å; R904-H908 WeakPolarHBondContact O-CB 3.04Å; R904-H908 PolarHBondContact O-N 3.41Å; H908-S910 VanDerWaalsContact C-N 3.3Å; H908-S910 PolarHBondContact O-N 3.18Å; H908-I911 PolarHBondContact O-N 3.42Å; H908-I911 VanDerWaalsContact O-N 3.17Å; H908-C912 PolarHBondContact NE2-SG 2.91Å; H908-C912 VanDerWaalsContact NE2-SG 3.37Å; H908-C912 WeakPolarHBondContact O-CB 3.48Å; H908-C912 PolarHBondContact O-N 3.39Å
909	R	88	Confident	81.7	Confident	84 Å²	84	52 Å²	52	32%	0.317	29%	0.288	S	S	.	.	H	α-helix	trans	-55.2	-45.2	179.8	179.5	-177.9	176.8	170.5	7.1	111	F905 E906 S907 I911 C912 E913	F905-R909 WeakPolarHBondContact O-CA 3.46Å; F905-R909 WeakPolarHBondContact O-CB 2.99Å; F905-R909 PolarHBondContact O-N 3.15Å; E906-R909 PolarHBondContact O-N 3.35Å; S907-R909 PolarHBondContact O-N 3.25Å; R909-I911 VanDerWaalsContact C-N 3.34Å; R909-I911 PolarHBondContact O-N 3.28Å; R909-C912 CarbonylContact O-C 3.41Å; R909-C912 PolarHBondContact O-N 3.25Å; R909-E913 HydrophobicContact CG-CG 4.15Å; R909-E913 IonicContact CZ-OE1 3.41Å; R909-E913 VanDerWaalsContact CZ-OE1 3.27Å; R909-E913 IonicContact CZ-OE2 3.96Å; R909-E913 IonicContact NE-OE1 2.81Å; R909-E913 PolarHBondContact NE-OE1 3.24Å; R909-E913 IonicContact NE-OE2 3.08Å; R909-E913 PolarHBondContact NE-OE2 2.87Å; R909-E913 VanDerWaalsContact NE-OE2 3.13Å; R909-E913 IonicContact NH2-OE1 3.82Å; R909-E913 PolarHBondContact NH2-OE1 2.77Å; R909-E913 IonicContact NH2-OE2 2.69Å; R909-E913 WeakPolarHBondContact O-CB 3.38Å; R909-E913 WeakPolarHBondContact O-CG 3Å; R909-E913 PolarHBondContact O-N 2.85Å
910	S	87.2	Confident	79.9	Confident	68 Å²	68	51.6 Å²	51.6	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-40.6	-179.9	74.2	0	0	0	0	112.7	E906 S907 H908 E913 A914	E906-S910 PolarHBondContact O-N 3.33Å; S907-S910 PolarHBondContact O-N 3.29Å; S907-S910 PolarHBondContact O-OG 2.71Å; H908-S910 VanDerWaalsContact C-N 3.3Å; H908-S910 PolarHBondContact O-N 3.18Å; S910-E913 CarbonylContact O-C 3.21Å; S910-E913 PolarHBondContact O-N 2.8Å; S910-A914 VanDerWaalsContact O-CB 3.28Å; S910-A914 WeakPolarHBondContact O-CB 3.33Å; S910-A914 PolarHBondContact O-N 3.11Å
911	I	86.1	Confident	78	Confident	99 Å²	99	48.8 Å²	48.8	51%	0.508	28%	0.275	S	S	.	.	H	α-helix	trans	-69.8	-46.7	175.7	-59.7	164.6	0	0	0	109.8	S907 H908 R909 E913 A914 V915	S907-I911 PolarHBondContact O-N 3.31Å; H908-I911 PolarHBondContact O-N 3.42Å; H908-I911 VanDerWaalsContact O-N 3.17Å; R909-I911 VanDerWaalsContact C-N 3.34Å; R909-I911 PolarHBondContact O-N 3.28Å; I911-E913 PolarHBondContact O-N 2.96Å; I911-E913 VanDerWaalsContact O-N 3.1Å; I911-A914 PolarHBondContact O-N 3.14Å; I911-V915 HydrophobicContact CG2-CG2 4.06Å; I911-V915 VanDerWaalsContact O-CB 3.31Å; I911-V915 WeakPolarHBondContact O-CB 3.46Å; I911-V915 WeakPolarHBondContact O-CG2 3.33Å; I911-V915 PolarHBondContact O-N 3.15Å
912	C	84.3	Confident	75.9	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.034	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	4.8	174	-154.4	0	0	0	0	112.9	V661 K662 C889 N891 C892 H908 R909	V661-C912 CarbonylContact C-O 3.39Å; K662-C912 PolarHBondContact N-O 3.05Å; K662-C912 PolarHBondContact O-SG 3.13Å; C889-C912 PolarHBondContact SG-SG 3.27Å; N891-C912 PolarHBondContact ND2-O 3.31Å; C892-C912 VanDerWaalsContact SG-SG 3.63Å; H908-C912 PolarHBondContact NE2-SG 2.91Å; H908-C912 VanDerWaalsContact NE2-SG 3.37Å; H908-C912 WeakPolarHBondContact O-CB 3.48Å; H908-C912 PolarHBondContact O-N 3.39Å; R909-C912 CarbonylContact O-C 3.41Å; R909-C912 PolarHBondContact O-N 3.25Å
913	E	82.1	Confident	73.6	Confident	67 Å²	67	53.5 Å²	53.5	31%	0.313	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	7.8	170.3	-75.7	-178.6	167.3	0	0	111.9	K660 V661 R909 S910 I911	K660-E913 CarbonylContact C-O 3.16Å; K660-E913 WeakPolarHBondContact CA-O 3.46Å; K660-E913 WeakPolarHBondContact CB-O 3.37Å; V661-E913 PolarHBondContact N-O 3.35Å; V661-E913 CarbonylContact O-C 3.52Å; R909-E913 HydrophobicContact CG-CG 4.15Å; R909-E913 IonicContact CZ-OE1 3.41Å; R909-E913 VanDerWaalsContact CZ-OE1 3.27Å; R909-E913 IonicContact CZ-OE2 3.96Å; R909-E913 IonicContact NE-OE1 2.81Å; R909-E913 PolarHBondContact NE-OE1 3.24Å; R909-E913 IonicContact NE-OE2 3.08Å; R909-E913 PolarHBondContact NE-OE2 2.87Å; R909-E913 VanDerWaalsContact NE-OE2 3.13Å; R909-E913 IonicContact NH2-OE1 3.82Å; R909-E913 PolarHBondContact NH2-OE1 2.77Å; R909-E913 IonicContact NH2-OE2 2.69Å; R909-E913 WeakPolarHBondContact O-CB 3.38Å; R909-E913 WeakPolarHBondContact O-CG 3Å; R909-E913 PolarHBondContact O-N 2.85Å; S910-E913 CarbonylContact O-C 3.21Å; S910-E913 PolarHBondContact O-N 2.8Å; I911-E913 PolarHBondContact O-N 2.96Å; I911-E913 VanDerWaalsContact O-N 3.1Å
914	A	79.9	Confident	71.3	Confident	45 Å²	45	55.9 Å²	55.9	37%	0.372	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-112	-18.7	177.1	0	0	0	0	0	113.7	K660 V661 S910 I911	K660-A914 CarbonylContact O-C 3.58Å; V661-A914 PolarHBondContact O-N 3.32Å; S910-A914 VanDerWaalsContact O-CB 3.28Å; S910-A914 WeakPolarHBondContact O-CB 3.33Å; S910-A914 PolarHBondContact O-N 3.11Å; I911-A914 PolarHBondContact O-N 3.14Å
915	V	77.6	Confident	69	Low	51 Å²	51	62.6 Å²	62.6	31%	0.309	35%	0.351	S	S	.	.	S	Bend	trans	-109.1	4.1	-153.6	172.4	0	0	0	0	113.7	K660 V661 K662 I911 T918	K660-V915 PolarHBondContact O-N 3.36Å; V661-V915 CarbonylContact O-C 3.54Å; V661-V915 PolarHBondContact O-N 3.41Å; K662-V915 HydrophobicContact CB-CB 3.81Å; K662-V915 HydrophobicContact CB-CG1 4.03Å; K662-V915 HydrophobicContact CD-CB 4.34Å; K662-V915 HydrophobicContact CD-CG1 3.55Å; K662-V915 HydrophobicContact CG-CB 4.09Å; K662-V915 HydrophobicContact CG-CG1 3.79Å; K662-V915 WeakPolarHBondContact CG-O 3.32Å; K662-V915 PolarHBondContact NZ-O 3.17Å; I911-V915 HydrophobicContact CG2-CG2 4.06Å; I911-V915 VanDerWaalsContact O-CB 3.31Å; I911-V915 WeakPolarHBondContact O-CB 3.46Å; I911-V915 WeakPolarHBondContact O-CG2 3.33Å; I911-V915 PolarHBondContact O-N 3.15Å; V915-T918 WeakPolarHBondContact CA-OG1 3.47Å; V915-T918 PolarHBondContact O-OG1 2.86Å
916	A	69.7	Low	66.4	Low	12 Å²	12	71.3 Å²	71.3	10%	0.099	39%	0.392	C	S	.	.	S	Bend	trans	-126.3	-14.3	176.6	0	0	0	0	0	119.1	K660 V661 K662 T918 T919 T920	K660-A916 CarbonylContact O-C 3.41Å; K660-A916 WeakPolarHBondContact O-CA 3.48Å; K660-A916 PolarHBondContact O-N 3.26Å; V661-A916 HydrophobicContact CB-CB 3.82Å; V661-A916 HydrophobicContact CG1-CB 4Å; V661-A916 PolarHBondContact O-N 2.9Å; K662-A916 HydrophobicContact CB-CB 3.82Å; K662-A916 HydrophobicContact CG-CB 3.62Å; A916-T918 VanDerWaalsContact C-N 3.29Å; A916-T919 VanDerWaalsContact C-OG1 3.32Å; A916-T919 VanDerWaalsContact CA-OG1 3.25Å; A916-T919 WeakPolarHBondContact CA-OG1 3.49Å; A916-T919 CarbonylContact O-C 3.39Å; A916-T919 WeakPolarHBondContact O-CA 3.49Å; A916-T919 WeakPolarHBondContact O-CB 3.48Å; A916-T919 PolarHBondContact O-N 2.87Å; A916-T919 PolarHBondContact O-OG1 3.48Å; A916-T920 PolarHBondContact O-N 2.93Å
917	A	67.4	Low	63.9	Low	1 Å²	1	75.6 Å²	75.6	1%	0.008	41%	0.412	C	S	.	.	S	Bend	trans	-89.4	1.4	154.3	0	0	0	0	0	112	P659 K660 T920 T921	P659-A917 WeakPolarHBondContact O-CB 3.42Å; K660-A917 HydrophobicContact CB-CB 4.25Å; K660-A917 HydrophobicContact CD-CB 3.78Å; K660-A917 HydrophobicContact CG-CB 3.99Å; K660-A917 VanDerWaalsContact NZ-C 3.32Å; K660-A917 PolarHBondContact NZ-O 3.48Å; K660-A917 PolarHBondContact O-N 2.93Å; A917-T920 WeakPolarHBondContact CA-OG1 3.25Å; A917-T920 WeakPolarHBondContact CB-OG1 3.18Å; A917-T920 PolarHBondContact O-N 2.82Å; A917-T921 HydrophobicContact CB-CG2 4.35Å; A917-T921 WeakPolarHBondContact O-CB 3.41Å; A917-T921 VanDerWaalsContact O-CG2 3.3Å; A917-T921 WeakPolarHBondContact O-CG2 3.45Å; A917-T921 PolarHBondContact O-N 2.85Å; A917-T921 PolarHBondContact O-OG1 3.34Å
918	T	58.7	Low	61.6	Low	79 Å²	79	77.3 Å²	77.3	49%	0.485	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.4	143.9	41.3	0	0	0	0	110.7	V915 A916 S922	V915-T918 WeakPolarHBondContact CA-OG1 3.47Å; V915-T918 PolarHBondContact O-OG1 2.86Å; A916-T918 VanDerWaalsContact C-N 3.29Å; T918-S922 PolarHBondContact O-OG 3.23Å
919	T	50.2	Low	59.2	Low	29 Å²	29	83.1 Å²	83.1	18%	0.178	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	4.7	166.7	14.5	0	0	0	0	116.6	R588 A916	R588-T919 HydrophobicContact CG-CG2 4.04Å; R588-T919 PolarHBondContact NE-O 3.12Å; R588-T919 VanDerWaalsContact NE-O 3.14Å; R588-T919 PolarHBondContact NH2-O 3.2Å; A916-T919 VanDerWaalsContact C-OG1 3.32Å; A916-T919 VanDerWaalsContact CA-OG1 3.25Å; A916-T919 WeakPolarHBondContact CA-OG1 3.49Å; A916-T919 CarbonylContact O-C 3.39Å; A916-T919 WeakPolarHBondContact O-CA 3.49Å; A916-T919 WeakPolarHBondContact O-CB 3.48Å; A916-T919 PolarHBondContact O-N 2.87Å; A916-T919 PolarHBondContact O-OG1 3.48Å
920	T	47.4	Very low	56.4	Low	52 Å²	52	87.5 Å²	87.5	32%	0.319	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	6	174.5	77.3	0	0	0	0	114.3	A916 A917	A916-T920 PolarHBondContact O-N 2.93Å; A917-T920 WeakPolarHBondContact CA-OG1 3.25Å; A917-T920 WeakPolarHBondContact CB-OG1 3.18Å; A917-T920 PolarHBondContact O-N 2.82Å
921	T	45.3	Very low	54	Low	54 Å²	54	89.4 Å²	89.4	33%	0.331	49%	0.489	S	S	.	.	S	Bend	trans	-114.9	-2.9	168.4	70	0	0	0	0	114.2	K658 K660 A917	K658-T921 HydrophobicContact CB-CG2 3.44Å; K658-T921 VanDerWaalsContact CB-CG2 3.44Å; K658-T921 HydrophobicContact CD-CG2 3.75Å; K658-T921 HydrophobicContact CG-CG2 4.23Å; K660-T921 PolarHBondContact NZ-OG1 2.95Å; A917-T921 HydrophobicContact CB-CG2 4.35Å; A917-T921 WeakPolarHBondContact O-CB 3.41Å; A917-T921 VanDerWaalsContact O-CG2 3.3Å; A917-T921 WeakPolarHBondContact O-CG2 3.45Å; A917-T921 PolarHBondContact O-N 2.85Å; A917-T921 PolarHBondContact O-OG1 3.34Å
922	S	43.2	Very low	51.3	Low	69 Å²	69	92.8 Å²	92.8	48%	0.483	51%	0.505	S	S	.	.	S	Bend	trans	-76.1	-24.3	-176	41.6	0	0	0	0	114.2	T918 N924	T918-S922 PolarHBondContact O-OG 3.23Å; S922-N924 PolarHBondContact O-N 2.98Å
923	D	41.1	Very low	49.1	Very low	83 Å²	83	102.2 Å²	102.2	44%	0.444	55%	0.548	S	S	.	.	S	Bend	trans	-97.1	17	-155.6	-46.8	-28	0	0	0	113.6	R588	R588-D923 IonicContact CZ-OD2 3.72Å; R588-D923 IonicContact NH2-OD2 3.84Å; R588-D923 PolarHBondContact NH2-OD2 3.23Å
924	N	40.1	Very low	47	Very low	129 Å²	129	104.1 Å²	104.1	69%	0.69	57%	0.569	S	S	*	*	S	Bend	trans	-129.2	41.1	-170.1	-83.1	68.3	0	0	0	113.6	S922	S922-N924 PolarHBondContact O-N 2.98Å
925	M	41.5	Very low	44.7	Very low	171 Å²	171	108.8 Å²	108.8	84%	0.842	59%	0.588	S	S	*	*	S	Bend	trans	-156.7	154	167.3	-110.9	152	-171.8	0	0	112.7
926	E	37.9	Very low	42.8	Very low	188 Å²	188	115 Å²	115	88%	0.879	61%	0.614	S	S	*	*			trans	69.3	68.6	160.6	-65.6	171	160.2	0	0	118.8
927	E	35.3	Very low	41.2	Very low	193 Å²	193	118.9 Å²	118.9	90%	0.902	64%	0.64	S	S	*	*			trans	-91.9	96.9	147.3	179.9	-179.3	-145.5	0	0	109.4
928	S	40.6	Very low	39.6	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	68%	0.679	S	S	*	*			trans	-168.7	115.9	163.8	-85.4	0	0	0	0	114.8
929	I	38.8	Very low	38.4	Very low	163 Å²	163	126.8 Å²	126.8	84%	0.836	69%	0.689	S	S	*	*			trans	70.1	106.8	139.2	-56.5	171	0	0	0	118.7
930	H	30.7	Very low	37.9	Very low	176 Å²	176	131.2 Å²	131.2	82%	0.815	72%	0.721	S	S	*	*			trans	-55.7	165.8	157.9	-87	-59.4	0	0	0	113.9
931	P	35.9	Very low	37.4	Very low	109 Å²	109	134.2 Å²	134.2	71%	0.708	74%	0.744	S	S	*	*			cis	-144.4	178.7	31.9	43	-23.4	0	0	0	118.4
932	M	30.1	Very low	37.3	Very low	170 Å²	170	136.6 Å²	136.6	84%	0.837	76%	0.761	S	S	*	*			trans	19.7	124.6	146.1	-63.1	164	55.2	0	0	120.3
933	E	38.4	Very low	36.9	Very low	202 Å²	202	140.1 Å²	140.1	94%	0.944	77%	0.774	S	S	*	*				-157.2	173.3	118.5	-117.5	167.2	-154.4	0	0	111.6
934	S	37.3	Very low	36.6	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	79%	0.789	S	S	*	*			trans	-116.1	164.9	-160.1	54.9	0	0	0	0	115.4
935	D	32.4	Very low	36.3	Very low	144 Å²	144	140.7 Å²	140.7	77%	0.77	79%	0.79	S	S	*	*			trans	-54.2	132.5	-174	-53.7	-86.3	0	0	0	116.2
936	Q	37.6	Very low	36.1	Very low	182 Å²	182	141.1 Å²	141.1	85%	0.85	79%	0.79	S	S	*	*			trans	-164.7	100.5	133.6	-110.6	145.3	102.8	0	0	114.5
937	S	34.7	Very low	36	Very low	93 Å²	93	135.9 Å²	135.9	65%	0.65	78%	0.779	S	S	*	*				34	131.4	127.2	64.7	0	0	0	0	122.5
938	I	34.4	Very low	36	Very low	160 Å²	160	131.6 Å²	131.6	82%	0.821	77%	0.77	S	S	*	*			trans	90	91.1	143.9	-62	157.8	0	0	0	118.7
939	A	34.2	Very low	35.9	Very low	85 Å²	85	133.9 Å²	133.9	70%	0.702	77%	0.774	S	S	*	*				73.4	147.7	122.4	0	0	0	0	0	123.7
940	S	38.5	Very low	35.8	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	77%	0.773	S	S	*	*			trans	105.7	116.5	157.5	-45.5	0	0	0	0	116.9
941	S	37.9	Very low	36.5	Very low	115 Å²	115	130.5 Å²	130.5	80%	0.804	77%	0.769	S	S	*	*			trans	-97.1	-167.2	179.1	-48.8	0	0	0	0	111
942	P	42.2	Very low	36.4	Very low	105 Å²	105	130.8 Å²	130.8	68%	0.682	77%	0.772	S	S	*	*				-128.8	178.5	-70.8	37.6	-22.2	0	0	0	112.3
943	N	34.8	Very low	36.7	Very low	143 Å²	143	127.2 Å²	127.2	77%	0.765	77%	0.765	S	S	*	*				165.4	152.9	128.9	-89	-25.1	0	0	0	114.3
944	S	36.3	Very low	36.6	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	76%	0.755	S	S	*	*			trans	59	152.3	145.8	55.7	0	0	0	0	121.8
945	T	33.6	Very low	36.5	Very low	116 Å²	116	125.7 Å²	125.7	71%	0.712	76%	0.759	S	S	*	*			cis	-162.9	166.4	-39.8	-37.3	0	0	0	0	105.8
946	E	35.9	Very low	36.6	Very low	181 Å²	181	124.6 Å²	124.6	85%	0.846	75%	0.753	S	S	*	*			trans	67.9	162.9	161.5	-65	170.6	-175.9	0	0	117.2
947	A	36.1	Very low	36.5	Very low	78 Å²	78	123 Å²	123	65%	0.645	75%	0.75	S	S	*	*			cis	-168.1	160.6	-38.5	0	0	0	0	0	109.2
948	S	35.6	Very low	36.6	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	75%	0.752	S	S	*	*			trans	54.7	135.2	159.9	38.6	0	0	0	0	119.1
949	D	38.2	Very low	36.5	Very low	152 Å²	152	123.8 Å²	123.8	81%	0.813	74%	0.743	S	S	*	*				-163.9	-172.3	69.8	-118	-36.4	0	0	0	115.4
950	L	36.9	Very low	36.6	Very low	154 Å²	154	126.9 Å²	126.9	81%	0.806	74%	0.742	S	S	*	*			trans	-105	173.8	-153	-98.9	76	0	0	0	119.2
951	P	45.7	Very low	36.3	Very low	114 Å²	114	125.1 Å²	125.1	74%	0.74	73%	0.73	S	S	*	*			trans	-115.3	-175.5	-171.7	44.5	-36.3	0	0	0	116.4
952	C	33.4	Very low	36.2	Very low	114 Å²	114	126.7 Å²	126.7	77%	0.77	73%	0.729	S	S	*	*			trans	-139	143.7	160.6	-87	0	0	0	0	109.2
953	S	36.9	Very low	36	Very low	96 Å²	96	129.6 Å²	129.6	67%	0.671	73%	0.733	S	S	*	*			cis	80.4	144.1	43.2	95.4	0	0	0	0	113.4
954	N	35.2	Very low	36.1	Very low	140 Å²	140	128.4 Å²	128.4	75%	0.749	73%	0.733	S	S	*	*			cis	-165.9	-167.1	-12.3	-122.4	29.3	0	0	0	110.3
955	V	35.6	Very low	36	Very low	136 Å²	136	129.3 Å²	129.3	82%	0.824	73%	0.734	S	S	*	*			trans	127.2	142.9	154.3	178.5	0	0	0	0	115.1
956	D	35.3	Very low	36	Very low	121 Å²	121	132.4 Å²	132.4	65%	0.647	74%	0.738	S	S	*	*			trans	-131.6	-156.9	-143.9	-54.8	-91.7	0	0	0	115.4
957	L	36	Very low	35.8	Very low	150 Å²	150	130 Å²	130	79%	0.785	74%	0.736	S	S	*	*			trans	88.8	138.8	161.7	-39.6	-177.6	0	0	0	116.9
958	H	35.6	Very low	35.7	Very low	150 Å²	150	131.7 Å²	131.7	69%	0.694	74%	0.742	S	S	*	*			cis	-151.7	141.7	-5.2	-127.2	-138.9	0	0	0	108.6
959	L	33.1	Very low	35.5	Very low	119 Å²	119	133.7 Å²	133.7	62%	0.623	75%	0.745	S	S	*	*				62.7	126.6	97.4	-150.8	63.8	0	0	0	114.2
960	E	35.7	Very low	35.4	Very low	150 Å²	150	131.7 Å²	131.7	70%	0.701	73%	0.734	S	S	*	*				-156.7	-168.9	59.4	-168.8	45.4	-79.6	0	0	114.4
961	S	33	Very low	35.3	Very low	84 Å²	84	132.4 Å²	132.4	59%	0.587	73%	0.731	S	S	*	*			trans	-124.2	-157.9	-154.6	-44.3	0	0	0	0	116.5
962	L	36.1	Very low	34.7	Very low	149 Å²	149	136 Å²	136	78%	0.78	73%	0.731	S	S	*	*			trans	83.5	138.4	170.7	-52.4	175.7	0	0	0	117.9
963	E	36.4	Very low	34.8	Very low	165 Å²	165	136.5 Å²	136.5	77%	0.771	73%	0.725	S	S	*	*			cis	-164.4	154.1	-22.8	-137.4	175.6	-141	0	0	111.5
964	P	37	Very low	34.7	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	73%	0.727	S	S	*	*			trans	-130.4	143.7	-175.8	39.5	-24.7	0	0	0	117.8
965	V	35.1	Very low	34.8	Very low	127 Å²	127	139.6 Å²	139.6	77%	0.77	73%	0.729	S	S	*	*			trans	-146.3	118.2	-178.4	178.1	0	0	0	0	116.6
966	K	34.3	Very low	34.8	Very low	181 Å²	181	138.8 Å²	138.8	79%	0.787	73%	0.729	S	S	*	*			trans	43.5	113.1	140	-63	175	-172.1	171.8	0	121.6
967	T	30.1	Very low	34.9	Very low	131 Å²	131	141.9 Å²	141.9	80%	0.804	74%	0.74	S	S	*	*				65.8	119.5	85.4	64.8	0	0	0	0	119.3
968	S	34.9	Very low	35.5	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	74%	0.742	S	S	*	*				163.5	129.4	113.2	65.4	0	0	0	0	117.2
969	N	32.1	Very low	35.6	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	78%	0.776	S	S	*	*			trans	44.3	145.2	139.3	-80.5	47.4	0	0	0	128.1
970	D	35.2	Very low	35.7	Very low	109 Å²	109	144.9 Å²	144.9	58%	0.583	78%	0.783	S	S	*	*			trans	78.6	107.2	137.9	-82.3	-67.4	0	0	0	124.2
971	K	35.4	Very low	35.7	Very low	170 Å²	170	144.6 Å²	144.6	74%	0.739	79%	0.788	S	S	*	*				76.9	145	120.1	-85.5	178.9	-171.1	149.5	0	125.8
972	Y	33.2	Very low	35.9	Very low	189 Å²	189	148 Å²	148	74%	0.741	80%	0.799	S	S	*	*			trans	84	124.6	150	-91.3	-130.9	0	0	0	120.8
973	I	34.9	Very low	35.9	Very low	125 Å²	125	147.9 Å²	147.9	64%	0.641	80%	0.8	S	S	*	*				45.7	131.6	117.2	-58.3	-171.2	0	0	0	117.1
974	D	35.1	Very low	35.8	Very low	134 Å²	134	146.9 Å²	146.9	72%	0.717	80%	0.802	S	S	*	*			cis	-152.6	-168.4	29.6	-137.1	-24.7	0	0	0	116.1
975	E	36.6	Very low	35.8	Very low	167 Å²	167	148.8 Å²	148.8	78%	0.78	80%	0.804	S	S	*	*			trans	-19.4	148.7	155.5	-65.3	178.2	164.9	0	0	117.3
976	S	34.9	Very low	35.8	Very low	119 Å²	119	150.4 Å²	150.4	83%	0.832	81%	0.806	S	S	*	*				-173	176.8	59.2	39.1	0	0	0	0	114.5
977	Q	37.7	Very low	35.9	Very low	186 Å²	186	148 Å²	148	87%	0.869	81%	0.808	S	S	*	*			trans	-58.9	158.4	-169.2	-60.5	161	-10.8	0	0	117.8
978	T	48.6	Very low	36.4	Very low	137 Å²	137	149.4 Å²	149.4	84%	0.84	81%	0.808	S	S	*	*			trans	-154.2	130.9	138.9	11	0	0	0	0	111.2
979	S	38.3	Very low	36.5	Very low	200 Å²	200	152.8 Å²	152.8	100%	1.399	81%	0.811	S	S	*	*			trans	73.1	0	-173.5	-44.5	0	0	0	0	116

Retrieved 979 of 979 residues in 984 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).