A0A087XNB0_POEFO Loading...

Testis expressed 2

AlphaFold DB , UniProt , Accession A0A087XNB0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,182 aa.

						>A0A087XNB0_POEFO|A0A087XNB0
MMSSQGNSRKGSGQHADTPPLRHAPGPKLQVQRSHSRDTITIHFSALGKEEEDEEEELYGLSVECAAAKSVLDGAAGPQSQSTGTDGQSVAKGLDAKEELGLESVDVETFSGSLMPVSAAILPAQPLDSHPHTPSLAMTVNPVSTHSHLSSTSPASSSWASDRPAQPPLISSTSSSPCKSAALSSSKPFLSLVRSLSNDVDSRETAPVIATVVPPHARHRHLMKSFVKSLSTDTSKGEHHEGPLQHHSHHQQTQPTHRTPPRNMQLFKQFSQPRLSSCPVAVTQAGGDSKTAPSSPIMSPDGRSFFKVQEVEARIEDTKRRLSEVMSDPLQLFSKIIGDESSVGPAGSAAHRGKSLSSSASELSGVTAVNGHTEANNNYSIKEEGAEEEETPTEKGPDSSFFSFPSLSLAPALTQASSSTLLRSPSLTLGRCSMSALVARQEDEDFCELYSEDFELCTDTETPDGERSISQQPHTGSTGLGSELDAEDEGLVEEMENVPVTGLIFLTQLLYLYLVLPVPPCVCSVLHGIVVGFMLALLVLWLSAPRCSSSGTRTRRWRKDQRNVPQLDVKEPGIFKGWMNEIQSYDPEMYHATLTHSVYVRLEGSVLRLSKPNRNISRRAAHNEPKPDVTYISQKIYDLTDSRIYLMPQSLARKRVWNKKYPICIELAKQEDFMSKAEGERSEAGDERTTGLCEKLERTDKAEKAEVCTSAEEQRRPTTGGGDLTIYLFGRTGREKEEWFRRFLQASQMKSEGRGGSLSGICKSAFLSAHSRSGSIQSGGGPEADSRGSSRGSQEELSQPRHRETPASLSGGSAGGMKQKMLLDYNIYMAKYVNPQALPGSPTAPDSPGHTPESSPKATKKLPRSSEEAAEPEAWVNAFLGRTFWDFLREKYWADVVSKKIQMKLSKIRLPYVMNELTLTELDMGFSVPKILRASKPSVDHQGLWFDLEVSYTGSFLMTLETKLNLVRLGKEGEGLGDHGKEWSRPRTYCLADSDEESSSAGSSDEEDPPELLSDKPNLPASEGYVGGHRPSKIMRFVDKIAKSKYFQKATETEFIKKKMEEVSNTPLLLTVEVQECRGTLAVNIPPPPTDRIWYGFRSPPHLELKARPKLGEREVTLVHVTEWIEKKLDQEFQKIFVMPNMDDIWLPIMHSAMDMRSNANLTVTNDALKDPEPEESELSDV
					

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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	30.7	Very low	33.2	Very low	216 Å²	216	139.6 Å²	139.6	100%	1.064	77%	0.77	S	S	*	*				0	110.1	0	-71.4	152.2	175.6	0	0	106.7	S3	M1-S3 PolarHBondContact O-OG 3.43Å
2	M	40.3	Very low	32.8	Very low	186 Å²	186	137.6 Å²	137.6	92%	0.916	77%	0.773	S	S	*	*				65.6	94.7	73	-62.7	-176.6	80.1	0	0	108.5
3	S	50.7	Low	32.3	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	76%	0.764	S	S	*	*			trans	157.5	-168	-135.5	54.2	0	0	0	0	105.8	M1	M1-S3 PolarHBondContact O-OG 3.43Å
4	S	38.4	Very low	32	Very low	89 Å²	89	135.1 Å²	135.1	62%	0.622	77%	0.769	S	S	*	*			trans	70.3	178.7	158	80.2	0	0	0	0	114.1
5	Q	32.1	Very low	31.7	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	77%	0.773	S	S	*	*			cis	-152.9	123.7	20.9	-154	158.9	87.8	0	0	115.7
6	G	31	Very low	31.3	Very low	64 Å²	64	133.6 Å²	133.6	66%	0.66	76%	0.758	S	S	*	*			trans	66.7	174.2	159.4	0	0	0	0	0	117.4
7	N	28.5	Very low	31.1	Very low	153 Å²	153	134.2 Å²	134.2	82%	0.818	76%	0.759	S	S	*	*			cis	-154.3	135.6	-25.9	-109.4	-4.9	0	0	0	106.5
8	S	28.6	Very low	31	Very low	79 Å²	79	133.8 Å²	133.8	55%	0.552	76%	0.76	S	S	*	*				65.3	121.8	72.9	122.7	0	0	0	0	115.4
9	R	27.8	Very low	31.9	Very low	217 Å²	217	131.9 Å²	131.9	82%	0.819	75%	0.754	S	S	*	*			trans	77.4	145.6	138.3	-72.6	175.1	157.7	179.5	-5	121.7
10	K	28.8	Very low	32.2	Very low	191 Å²	191	131.3 Å²	131.3	83%	0.83	76%	0.755	S	S	*	*			trans	70.5	150.9	151.8	-74.8	174.4	174.2	-168.1	0	117.2
11	G	28.3	Very low	32	Very low	69 Å²	69	131.5 Å²	131.5	71%	0.711	75%	0.752	S	S	*	*			cis	106.8	77.1	-7.7	0	0	0	0	0	115.8
12	S	28.1	Very low	32.1	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	74%	0.738	S	S	*	*			trans	-165.4	140.9	161.4	47.2	0	0	0	0	106.4
13	G	26.5	Very low	31.8	Very low	63 Å²	63	128.9 Å²	128.9	65%	0.649	73%	0.727	S	S	*	*			cis	97.5	140.3	9.1	0	0	0	0	0	111.8
14	Q	27.8	Very low	31	Very low	178 Å²	178	128.9 Å²	128.9	83%	0.832	73%	0.732	S	S	*	*			trans	79	115.5	-177.1	-52.9	-172.5	-19.5	0	0	113.2
15	H	27.8	Very low	31.5	Very low	180 Å²	180	130.6 Å²	130.6	83%	0.833	74%	0.741	S	S	*	*				87.2	139.1	100	-87.5	-80.5	0	0	0	113.1
16	A	26.1	Very low	31.3	Very low	65 Å²	65	125.4 Å²	125.4	54%	0.537	74%	0.736	S	S	.	*			cis	-162.7	-173.8	-1.6	0	0	0	0	0	113
17	D	27.8	Very low	31.6	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	75%	0.747	S	S	*	*			trans	77.3	96.9	142.8	-59.3	-27	0	0	0	123.6
18	T	27.9	Very low	32	Very low	127 Å²	127	131.1 Å²	131.1	78%	0.779	75%	0.75	S	S	*	*				-22.9	176	118.1	27.4	0	0	0	0	118.6
19	P	49.6	Very low	31.9	Very low	98 Å²	98	135.2 Å²	135.2	64%	0.636	76%	0.764	S	S	*	*			cis	-126.9	-150.6	1.1	44.8	-26.2	0	0	0	111.9	L21	P19-L21 HydrophobicContact CB-CD1 3.99Å; P19-L21 HydrophobicContact CG-CD1 3.88Å
20	P	37.6	Very low	31.9	Very low	119 Å²	119	133 Å²	133	77%	0.773	76%	0.763	S	S	*	*			cis	-110.7	142.7	37.8	4.2	20.8	0	0	0	114.7
21	L	27.8	Very low	31.7	Very low	135 Å²	135	130.9 Å²	130.9	71%	0.707	77%	0.766	S	S	*	*				67.5	108.9	82.4	-89.4	76.5	0	0	0	115.5	P19	P19-L21 HydrophobicContact CB-CD1 3.99Å; P19-L21 HydrophobicContact CG-CD1 3.88Å
22	R	32.4	Very low	31.7	Very low	202 Å²	202	136 Å²	136	76%	0.762	77%	0.771	S	S	*	*				84.5	150.1	74.8	-81.9	-173.6	177.6	-157.6	11.3	113.8
23	H	34	Very low	32.2	Very low	146 Å²	146	142.3 Å²	142.3	68%	0.676	78%	0.777	S	S	*	*			cis	-125.1	-138.7	6.7	-129	-42.8	0	0	0	111.7
24	A	35	Very low	32.3	Very low	89 Å²	89	144.7 Å²	144.7	74%	0.736	78%	0.784	S	S	*	*			cis	-153.3	172.5	3.8	0	0	0	0	0	111.1
25	P	47.9	Very low	33	Very low	126 Å²	126	145.6 Å²	145.6	82%	0.818	79%	0.788	S	S	*	*			trans	-139.4	167.5	-164.6	42.8	-26.4	0	0	0	120.2
26	G	27.4	Very low	33.2	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	79%	0.785	S	S	*	*			trans	123.4	163.4	145.4	0	0	0	0	0	117.3
27	P	38.8	Very low	34.1	Very low	136 Å²	136	149.8 Å²	149.8	88%	0.883	80%	0.8	S	S	*	*			cis	-120.3	-167.1	-8.1	40.7	-25.9	0	0	0	114
28	K	36.5	Very low	34.3	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	80%	0.803	S	S	*	*			trans	-130.2	153.1	179.9	-65.2	177.7	177.3	178.7	0	112.5
29	L	25.8	Very low	34.8	Very low	165 Å²	165	150.7 Å²	150.7	86%	0.864	80%	0.804	S	S	*	*			trans	-166.2	105	150.3	-95.3	162.5	0	0	0	105.6
30	Q	27.8	Very low	33.9	Very low	171 Å²	171	153.5 Å²	153.5	80%	0.799	81%	0.812	S	S	*	*				67.4	112.3	67	-174.3	172.5	-7.2	0	0	115.2
31	V	25.7	Very low	33.4	Very low	146 Å²	146	152.7 Å²	152.7	89%	0.885	81%	0.806	S	S	*	*			trans	-162.9	166.9	137.6	133.6	0	0	0	0	109.3
32	Q	28.3	Very low	33.5	Very low	176 Å²	176	153 Å²	153	82%	0.822	81%	0.807	S	S	*	*			trans	-122.5	164.2	-161.3	-174.4	170.5	-24.9	0	0	111.9
33	R	38.4	Very low	33.2	Very low	247 Å²	247	151 Å²	151	93%	0.932	81%	0.806	S	S	*	*			trans	-40.4	143.1	-177.3	-75.6	179	171.2	153.6	-4.7	115.3
34	S	27.3	Very low	33.1	Very low	114 Å²	114	153.6 Å²	153.6	80%	0.797	82%	0.815	S	S	*	*			trans	-128	156.1	149.4	59.9	0	0	0	0	110.7
35	H	43	Very low	32.8	Very low	196 Å²	196	155 Å²	155	91%	0.907	82%	0.82	S	S	*	*			trans	-100.4	140.4	169.8	-112.9	-92.1	0	0	0	108.4
36	S	32.8	Very low	32	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	82%	0.82	S	S	*	*			trans	-154.3	149.2	155.5	42	0	0	0	0	110.1
37	R	43.5	Very low	32.1	Very low	224 Å²	224	159 Å²	159	85%	0.845	83%	0.83	S	S	*	*			trans	-93.2	152.7	154.9	-60.9	159.6	79.7	140.7	1	105.2
38	D	33.5	Very low	31.6	Very low	158 Å²	158	156.1 Å²	156.1	85%	0.845	82%	0.824	S	S	*	*				178.2	161.3	122.8	-86.1	-13.7	0	0	0	111.8
39	T	37	Very low	31.2	Very low	132 Å²	132	155.4 Å²	155.4	81%	0.81	82%	0.821	S	S	*	*			trans	-81.2	137.7	-173.3	-47.8	0	0	0	0	111.3
40	I	30.6	Very low	31.4	Very low	157 Å²	157	156.3 Å²	156.3	81%	0.805	82%	0.821	S	S	*	*			trans	-127	121.2	162.8	-63.2	-176.7	0	0	0	109.7
41	T	27.1	Very low	31.7	Very low	103 Å²	103	157 Å²	157	63%	0.632	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.4	132.8	174.7	-49.3	0	0	0	0	110.6
42	I	31	Very low	32	Very low	141 Å²	141	158.6 Å²	158.6	72%	0.723	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-90.7	117.9	165.9	-62.1	178.6	0	0	0	108
43	H	26.5	Very low	32.3	Very low	160 Å²	160	157.8 Å²	157.8	74%	0.741	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.6	130.8	171.2	-72.9	-106.8	0	0	0	109.7
44	F	30.2	Very low	31.9	Very low	200 Å²	200	154.2 Å²	154.2	88%	0.877	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.1	129	165.4	-73.2	-90.2	0	0	0	109.7
45	S	28.7	Very low	32	Very low	120 Å²	120	157.6 Å²	157.6	84%	0.839	82%	0.821	S	S	*	*			trans	-122.3	120.2	166.7	-68.1	0	0	0	0	107.6
46	A	32.1	Very low	31.4	Very low	98 Å²	98	157.9 Å²	157.9	81%	0.81	82%	0.822	S	S	*	*			trans	-83	144.8	-174.6	0	0	0	0	0	112.6
47	L	29.2	Very low	31.4	Very low	185 Å²	185	161 Å²	161	97%	0.969	83%	0.825	S	S	*	*			trans	178.8	122.7	153.8	-104.6	157.9	0	0	0	109.5
48	G	28.6	Very low	30.7	Very low	74 Å²	74	155.9 Å²	155.9	76%	0.763	81%	0.814	S	S	*	*			trans	147.1	52.5	166.2	0	0	0	0	0	119.5
49	K	28.5	Very low	30.6	Very low	187 Å²	187	157.9 Å²	157.9	81%	0.813	81%	0.81	S	S	*	*			trans	40	118	158.6	-74.9	-170.2	160	-151	0	119.8
50	E	29.8	Very low	30.1	Very low	183 Å²	183	154.6 Å²	154.6	86%	0.855	80%	0.803	S	S	*	*			trans	-77.3	154.5	148.1	-67.1	124.7	158.7	0	0	111.5
51	E	32.9	Very low	29.7	Very low	185 Å²	185	155.3 Å²	155.3	86%	0.864	81%	0.808	S	S	*	*			trans	-129.8	121.3	153.6	-81.9	177.9	176.9	0	0	106.1
52	E	32.2	Very low	29.7	Very low	180 Å²	180	155.2 Å²	155.2	84%	0.841	81%	0.811	S	S	*	*			trans	-142.2	118.8	-175.7	175.1	175	-121.5	0	0	107.3
53	D	34.9	Very low	29.4	Very low	159 Å²	159	154.5 Å²	154.5	85%	0.85	81%	0.813	S	S	*	*			trans	174.4	139.2	-179.6	-92	-30.8	0	0	0	104.9
54	E	31	Very low	29.3	Very low	173 Å²	173	155 Å²	155	81%	0.808	82%	0.815	S	S	*	*			cis	-130.5	178.2	-8.3	-53.3	178.4	136.2	0	0	105.5
55	E	29.4	Very low	29	Very low	185 Å²	185	151.2 Å²	151.2	86%	0.864	81%	0.813	S	S	*	*			cis	-158.9	124.6	36	-59.2	165.9	-142.3	0	0	109.4
56	E	30.7	Very low	28.9	Very low	202 Å²	202	149.8 Å²	149.8	94%	0.944	81%	0.808	S	S	*	*			trans	-157.1	105.8	157.2	-167.2	172.5	-109.4	0	0	113.1
57	E	31.7	Very low	28.5	Very low	175 Å²	175	150.3 Å²	150.3	82%	0.818	81%	0.812	S	S	*	*			trans	-167.8	154.6	156.8	-110.7	-176.3	-174.1	0	0	106.5
58	L	29.9	Very low	28.4	Very low	117 Å²	117	146.3 Å²	146.3	61%	0.613	81%	0.806	S	S	*	*			cis	-159.6	145.3	21.4	-165.8	74.4	0	0	0	106.7
59	Y	29.9	Very low	28.2	Very low	199 Å²	199	153 Å²	153	78%	0.78	81%	0.814	S	S	*	*			cis	-133.7	-164.6	3	-118.5	-25.6	0	0	0	108.7
60	G	26.3	Very low	28.1	Very low	63 Å²	63	149.4 Å²	149.4	65%	0.649	81%	0.813	S	S	*	*			cis	80.8	136.1	40.6	0	0	0	0	0	111.6
61	L	23.6	Very low	28.1	Very low	173 Å²	173	146.8 Å²	146.8	91%	0.906	81%	0.809	S	S	*	*			cis	-151.4	-178.7	9	-71.7	157	0	0	0	109.8
62	S	26.6	Very low	28.1	Very low	101 Å²	101	145 Å²	145	71%	0.706	80%	0.804	S	S	*	*				-165.1	170.6	-68.5	-164	0	0	0	0	109.7
63	V	25.4	Very low	27.8	Very low	126 Å²	126	143.6 Å²	143.6	76%	0.764	80%	0.803	S	S	*	*			trans	68.3	136.7	167.6	176.5	0	0	0	0	115.8
64	E	24.5	Very low	27.6	Very low	169 Å²	169	138.9 Å²	138.9	79%	0.79	79%	0.792	S	S	*	*			cis	-149.1	176.4	-12.2	-118	-178	138.5	0	0	107.2
65	C	23.9	Very low	27.7	Very low	122 Å²	122	135.9 Å²	135.9	82%	0.824	80%	0.796	S	S	*	*			cis	-148.7	164.7	31.1	-171.3	0	0	0	0	111.6
66	A	25.4	Very low	27.7	Very low	90 Å²	90	132 Å²	132	74%	0.744	80%	0.796	S	S	*	*			trans	-103.4	158.1	-161.7	0	0	0	0	0	116.1
67	A	24.5	Very low	27.5	Very low	108 Å²	108	125.9 Å²	125.9	89%	0.893	79%	0.787	S	S	*	*			trans	-160.7	118.5	140.8	0	0	0	0	0	111.4
68	A	26.1	Very low	28.3	Very low	102 Å²	102	123.2 Å²	123.2	84%	0.843	79%	0.785	S	S	*	*			trans	-131.7	142.4	166.4	0	0	0	0	0	109.7
69	K	24.6	Very low	28.2	Very low	214 Å²	214	126.4 Å²	126.4	93%	0.93	80%	0.797	S	S	*	*			trans	-138.3	140.6	167.9	-79	-167.5	174.9	-177.5	0	110.4
70	S	27.1	Very low	28.3	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	79%	0.789	S	S	*	*			trans	-151	-170.4	176.6	58.8	0	0	0	0	109
71	V	30.3	Very low	28.4	Very low	127 Å²	127	126.5 Å²	126.5	77%	0.77	80%	0.797	S	S	*	*			trans	81.7	114.1	171	-166.5	0	0	0	0	117.4
72	L	31.5	Very low	28.7	Very low	147 Å²	147	123.2 Å²	123.2	77%	0.77	79%	0.789	S	S	*	*				-159.5	156.2	118.1	-116.5	70.5	0	0	0	105.4
73	D	26.7	Very low	28.7	Very low	151 Å²	151	124.7 Å²	124.7	81%	0.807	79%	0.794	S	S	*	*			cis	-138.6	176.7	14.2	-98.6	-55.6	0	0	0	109.6
74	G	31.1	Very low	28.9	Very low	60 Å²	60	122 Å²	122	62%	0.619	79%	0.792	S	S	*	*			cis	156	157.1	-3.2	0	0	0	0	0	113
75	A	32.6	Very low	29.2	Very low	110 Å²	110	120 Å²	120	91%	0.909	79%	0.792	S	S	*	*			trans	67.2	149.7	170.8	0	0	0	0	0	119.3
76	A	28.8	Very low	29.6	Very low	103 Å²	103	122 Å²	122	85%	0.851	79%	0.794	S	S	*	*			cis	-160.6	169.1	-12.6	0	0	0	0	0	112
77	G	26.9	Very low	29.9	Very low	74 Å²	74	121 Å²	121	76%	0.763	79%	0.792	S	S	*	*			trans	-99.1	-145.1	178.8	0	0	0	0	0	115
78	P	49.3	Very low	30.3	Very low	120 Å²	120	125.2 Å²	125.2	78%	0.779	79%	0.794	S	S	*	*			cis	-144.3	-157.5	1.1	42.5	-20.4	0	0	0	116.2
79	Q	27.2	Very low	30.6	Very low	183 Å²	183	125.1 Å²	125.1	86%	0.855	79%	0.787	S	S	*	*			trans	93.7	149	169.9	-55.4	-175.8	7.1	0	0	118.7
80	S	31.3	Very low	30.9	Very low	89 Å²	89	121.3 Å²	121.3	62%	0.622	78%	0.781	S	S	*	*			cis	-174.6	155.7	-35.8	57.6	0	0	0	0	113.8
81	Q	29.7	Very low	31.2	Very low	175 Å²	175	119.5 Å²	119.5	82%	0.818	77%	0.773	S	S	*	*			trans	100.1	112.2	156.5	-57.3	-172.8	7.4	0	0	124.2
82	S	29.7	Very low	31.5	Very low	105 Å²	105	121.5 Å²	121.5	73%	0.734	77%	0.771	S	S	*	*			trans	68	156.2	134.4	82.2	0	0	0	0	121.3
83	T	26.1	Very low	31.5	Very low	132 Å²	132	115.9 Å²	115.9	81%	0.81	75%	0.749	S	S	*	*			cis	-158.6	149.1	13.6	35.8	0	0	0	0	113.6
84	G	28.6	Very low	31.9	Very low	70 Å²	70	114.7 Å²	114.7	72%	0.722	74%	0.742	S	S	*	*			trans	60	163.4	145.4	0	0	0	0	0	122.9
85	T	32.3	Very low	32	Very low	127 Å²	127	118.3 Å²	118.3	78%	0.779	75%	0.747	S	S	*	*			cis	-171.3	145.1	-13.1	11.4	0	0	0	0	111.5
86	D	30.7	Very low	32.2	Very low	163 Å²	163	117.2 Å²	117.2	87%	0.872	74%	0.738	S	S	*	*			trans	27.1	154.8	152.3	-46.6	-33.8	0	0	0	124.3
87	G	31.9	Very low	32.4	Very low	69 Å²	69	119.9 Å²	119.9	71%	0.711	73%	0.73	S	S	*	*			cis	157.4	153.4	-8.6	0	0	0	0	0	116.1
88	Q	34.5	Very low	32.4	Very low	197 Å²	197	123 Å²	123	92%	0.921	73%	0.726	S	S	*	*			trans	69	166	162	-75.2	-170.5	56.4	0	0	119.3
89	S	31	Very low	31.6	Very low	99 Å²	99	124.8 Å²	124.8	69%	0.692	72%	0.723	S	S	*	*			cis	-173.5	174.9	-10.7	54.7	0	0	0	0	109.7
90	V	31.3	Very low	31.6	Very low	135 Å²	135	123.8 Å²	123.8	82%	0.818	72%	0.723	S	S	*	*			cis	-170.2	141.3	-15.2	133.4	0	0	0	0	113
91	A	34	Very low	31.3	Very low	74 Å²	74	122.8 Å²	122.8	61%	0.612	73%	0.727	S	S	*	*			trans	60.9	171.7	157.2	0	0	0	0	0	121.5	L421	A91-L421 CarbonylContact C-O 3.31Å; A91-L421 VanDerWaalsContact C-O 3.31Å
92	K	35.4	Very low	31.1	Very low	168 Å²	168	122.5 Å²	122.5	73%	0.73	73%	0.73	S	S	*	*			cis	-169.4	142.9	17.9	-157.6	177.2	-174.6	-178.9	0	116.4	L421	K92-L421 PolarHBondContact N-O 3.48Å; K92-L421 VanDerWaalsContact N-O 3.09Å
93	G	31.6	Very low	30.8	Very low	30 Å²	30	126.5 Å²	126.5	31%	0.309	74%	0.737	S	S	.	*				100.6	115.9	125.7	0	0	0	0	0	125.7	T420	G93-T420 WeakPolarHBondContact CA-OG1 3.06Å; G93-T420 PolarHBondContact N-O 2.93Å; G93-T420 PolarHBondContact N-OG1 3.43Å
94	L	36.1	Very low	30.8	Very low	126 Å²	126	124.7 Å²	124.7	66%	0.66	73%	0.729	S	S	*	*			trans	64.7	163	142	-58	172.5	0	0	0	120.1	T420	L94-T420 PolarHBondContact N-OG1 2.95Å
95	D	33.3	Very low	30.6	Very low	135 Å²	135	128.2 Å²	128.2	72%	0.722	74%	0.737	S	S	*	*			cis	-158.7	168	-1.7	-137	-38	0	0	0	113.7
96	A	36.3	Very low	30.2	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	74%	0.737	S	S	*	*			trans	49.8	161.4	150.3	0	0	0	0	0	124.2
97	K	32.2	Very low	30.1	Very low	159 Å²	159	127.8 Å²	127.8	69%	0.691	73%	0.734	S	S	*	*			cis	-176.6	156.9	-27.7	179.9	167.9	172.2	-102.1	0	111.1
98	E	28.3	Very low	29.9	Very low	141 Å²	141	132 Å²	132	66%	0.659	74%	0.736	S	S	*	*			trans	65.7	160.1	162.7	-86.9	151.3	162.9	0	0	121.5
99	E	31.3	Very low	29.6	Very low	157 Å²	157	126.6 Å²	126.6	73%	0.734	72%	0.716	S	S	*	*			cis	-174.5	172.1	-41	-162.5	169.7	-106.8	0	0	110.2
100	L	27.4	Very low	29.3	Very low	162 Å²	162	130.5 Å²	130.5	85%	0.848	72%	0.721	S	S	*	*			trans	73.1	152.9	165.7	-50.6	175.6	0	0	0	117.7
101	G	26	Very low	29.1	Very low	68 Å²	68	129.7 Å²	129.7	70%	0.701	72%	0.721	S	S	*	*			cis	169.1	110.5	-9	0	0	0	0	0	115.7
102	L	25.1	Very low	28.7	Very low	168 Å²	168	129 Å²	129	88%	0.88	72%	0.722	S	S	*	*			trans	35	119.3	141.7	-64	166.8	0	0	0	123.2
103	E	23.3	Very low	28.3	Very low	190 Å²	190	126.6 Å²	126.6	89%	0.888	73%	0.726	S	S	*	*				-160.6	134.3	130	-102.5	-177.7	170	0	0	106.8
104	S	25.3	Very low	27.9	Very low	93 Å²	93	132.1 Å²	132.1	65%	0.65	75%	0.748	S	S	*	*			cis	99.1	93	3.4	85.4	0	0	0	0	118.8
105	V	24.4	Very low	27.3	Very low	145 Å²	145	134 Å²	134	88%	0.879	76%	0.755	S	S	*	*			trans	-141.4	121.5	158.2	179.6	0	0	0	0	110.1
106	D	25.7	Very low	27.4	Very low	145 Å²	145	132 Å²	132	78%	0.775	75%	0.749	S	S	*	*			trans	-108.5	153.4	173.5	-78.9	-68.4	0	0	0	111.9
107	V	28.5	Very low	26.8	Very low	136 Å²	136	134.4 Å²	134.4	82%	0.824	76%	0.755	S	S	*	*			trans	-151.9	102.9	147.8	-178.3	0	0	0	0	106.2
108	E	27.2	Very low	26.5	Very low	158 Å²	158	132.4 Å²	132.4	74%	0.738	76%	0.761	S	S	*	*				78.7	138.6	66.4	-75.3	-128.5	-166.4	0	0	115.3
109	T	27.8	Very low	26.4	Very low	83 Å²	83	130.8 Å²	130.8	51%	0.509	77%	0.772	S	S	.	*			cis	-165.8	174.9	-11.7	-77.1	0	0	0	0	111
110	F	25.6	Very low	26.1	Very low	180 Å²	180	127.7 Å²	127.7	79%	0.789	77%	0.773	S	S	*	*			trans	98.4	125.6	161.4	-58.4	-79.1	0	0	0	116.7
111	S	26	Very low	26.2	Very low	118 Å²	118	128.4 Å²	128.4	83%	0.825	78%	0.775	S	S	*	*			cis	75.8	144.1	34.9	-161.9	0	0	0	0	113.2
112	G	26.1	Very low	26.7	Very low	61 Å²	61	131.5 Å²	131.5	63%	0.629	78%	0.775	S	S	*	*			cis	170.9	-153.9	3.6	0	0	0	0	0	110.6
113	S	26.1	Very low	27.5	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	77%	0.773	S	S	*	*			trans	70.8	145.7	174.5	-139.5	0	0	0	0	115.8
114	L	24.5	Very low	27.6	Very low	147 Å²	147	124.4 Å²	124.4	77%	0.77	76%	0.763	S	S	*	*			cis	74.7	108.9	29.7	-74.1	167.9	0	0	0	116.9
115	M	22.8	Very low	28	Very low	165 Å²	165	128.1 Å²	128.1	81%	0.813	77%	0.77	S	S	*	*			trans	68.4	-178.5	137.9	-64.5	-65.4	-87.2	0	0	117.4
116	P	35.9	Very low	28.6	Very low	93 Å²	93	126.3 Å²	126.3	60%	0.604	76%	0.761	S	S	*	*				-142	-164.4	-65.4	44.7	-29.5	0	0	0	114.8
117	V	23.7	Very low	28.7	Very low	138 Å²	138	125.9 Å²	125.9	84%	0.836	76%	0.758	S	S	*	*			trans	75.7	140.9	150.1	164.4	0	0	0	0	119.5
118	S	24.8	Very low	28.6	Very low	117 Å²	117	126 Å²	126	82%	0.818	75%	0.754	S	S	*	*			trans	-86.8	145.7	178.8	-38.3	0	0	0	0	113.8
119	A	27.6	Very low	28.5	Very low	107 Å²	107	122.8 Å²	122.8	88%	0.884	75%	0.749	S	S	*	*			trans	-149.2	158.6	155.7	0	0	0	0	0	109.7
120	A	25.4	Very low	28.4	Very low	91 Å²	91	127 Å²	127	75%	0.752	76%	0.763	S	S	*	*			trans	-118.2	165.2	-172.2	0	0	0	0	0	112.7
121	I	29.5	Very low	29.5	Very low	177 Å²	177	123.4 Å²	123.4	91%	0.908	76%	0.757	S	S	*	*			trans	-162.4	150.7	136	-102.8	151.9	0	0	0	111.7
122	L	36.4	Very low	29.5	Very low	134 Å²	134	126.7 Å²	126.7	70%	0.702	76%	0.759	S	S	*	*			trans	-66.8	170	-178.8	-81.6	159.1	0	0	0	113.6
123	P	40	Very low	29.8	Very low	126 Å²	126	130 Å²	130	82%	0.818	77%	0.768	S	S	*	*			cis	-132.1	163.7	26.3	41.7	-25	0	0	0	116.5
124	A	26.7	Very low	30.6	Very low	83 Å²	83	130.5 Å²	130.5	69%	0.686	77%	0.768	S	S	*	*			cis	-144.6	167	1.4	0	0	0	0	0	113
125	Q	33.2	Very low	30.6	Very low	171 Å²	171	128.7 Å²	128.7	80%	0.799	77%	0.768	S	S	*	*			trans	-28.6	165.5	164.8	-69.9	179.2	-55.5	0	0	119.3
126	P	36.7	Very low	30.8	Very low	107 Å²	107	128.8 Å²	128.8	70%	0.695	77%	0.771	S	S	*	*			cis	-137	-161.8	-33.1	40.4	-20.7	0	0	0	110.6
127	L	27.9	Very low	30.2	Very low	136 Å²	136	128.1 Å²	128.1	71%	0.712	77%	0.773	S	S	*	*			cis	-158.7	132.6	9.7	-165.7	63.1	0	0	0	111.1
128	D	26.1	Very low	30.3	Very low	138 Å²	138	129.9 Å²	129.9	74%	0.738	77%	0.774	S	S	*	*			trans	45.3	164.8	146.1	-56.7	-5.1	0	0	0	125.2
129	S	25.7	Very low	30.3	Very low	90 Å²	90	129.7 Å²	129.7	63%	0.629	77%	0.768	S	S	*	*			cis	-171.7	162.3	-41.4	71.5	0	0	0	0	112.7
130	H	25.4	Very low	30.2	Very low	172 Å²	172	130.8 Å²	130.8	80%	0.796	76%	0.763	S	S	*	*			trans	51.1	142.5	150.8	-76.4	-67.3	0	0	0	125
131	P	49.5	Very low	30.2	Very low	104 Å²	104	133.9 Å²	133.9	68%	0.675	77%	0.767	S	S	*	*			trans	-115.2	151.5	175.3	40.7	-30.8	0	0	0	115.3
132	H	25.4	Very low	30.6	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.866	76%	0.757	S	S	*	*			trans	-154.6	145.8	165.3	-80	-69	0	0	0	114.7
133	T	32.1	Very low	30.1	Very low	132 Å²	132	130.4 Å²	130.4	81%	0.81	76%	0.761	S	S	*	*			trans	-108.6	164	148	25.5	0	0	0	0	108.1
134	P	42.7	Very low	29.4	Very low	125 Å²	125	128.6 Å²	128.6	81%	0.812	75%	0.752	S	S	*	*			cis	-132.3	-143.5	16.5	43.3	-24.1	0	0	0	114.2
135	S	24.3	Very low	29.5	Very low	110 Å²	110	130 Å²	130	77%	0.769	75%	0.752	S	S	*	*			trans	-83.6	173.5	-160.9	-43.6	0	0	0	0	118.4
136	L	27.3	Very low	29.2	Very low	167 Å²	167	129.6 Å²	129.6	87%	0.874	75%	0.75	S	S	*	*			trans	109.5	115.9	141.4	-85.9	162.4	0	0	0	121.6
137	A	24.1	Very low	28.8	Very low	78 Å²	78	128.7 Å²	128.7	65%	0.645	75%	0.746	S	S	*	*				100.8	148.4	125.3	0	0	0	0	0	121.7
138	M	25.9	Very low	28.8	Very low	176 Å²	176	130.1 Å²	130.1	87%	0.867	75%	0.749	S	S	*	*			trans	68.2	136.5	156.2	-68.9	-59	176.2	0	0	117.6
139	T	23.5	Very low	28.9	Very low	113 Å²	113	131 Å²	131	69%	0.693	75%	0.753	S	S	*	*			cis	-158.8	159.9	-4.3	-61.4	0	0	0	0	109.5
140	V	25.9	Very low	28.9	Very low	129 Å²	129	132.9 Å²	132.9	78%	0.782	77%	0.766	S	S	*	*			trans	148.9	107.7	132.6	170.2	0	0	0	0	112
141	N	25.7	Very low	29	Very low	157 Å²	157	129.4 Å²	129.4	84%	0.84	76%	0.761	S	S	*	*			trans	-82.6	149.4	157.7	-99	-22.2	0	0	0	108.2
142	P	38	Very low	28.1	Very low	106 Å²	106	130.9 Å²	130.9	69%	0.688	77%	0.768	S	S	*	*				-153	154.6	82.2	40.7	-22.1	0	0	0	118.3
143	V	25	Very low	28.4	Very low	131 Å²	131	127.2 Å²	127.2	79%	0.794	76%	0.764	S	S	*	*				35.9	140.3	126.1	-172.7	0	0	0	0	119.9
144	S	26.8	Very low	29.3	Very low	89 Å²	89	126.8 Å²	126.8	62%	0.622	76%	0.763	S	S	*	*			cis	-178.2	-158	-27.4	72.1	0	0	0	0	107.2
145	T	28.1	Very low	28.6	Very low	113 Å²	113	125.1 Å²	125.1	69%	0.693	76%	0.76	S	S	*	*			trans	69.3	140.9	179.9	84.6	0	0	0	0	115
146	H	27.5	Very low	28.9	Very low	161 Å²	161	125.3 Å²	125.3	75%	0.745	76%	0.761	S	S	*	*			cis	-128.8	128.1	6.4	-86.4	-82.4	0	0	0	109.3
147	S	27	Very low	29.4	Very low	88 Å²	88	122.8 Å²	122.8	62%	0.615	76%	0.757	S	S	*	*				62.7	140.7	78.4	78.5	0	0	0	0	116.5
148	H	27.9	Very low	29.7	Very low	167 Å²	167	123.6 Å²	123.6	77%	0.773	76%	0.759	S	S	*	*			cis	-178.8	150.9	-29.1	-113.4	-65.5	0	0	0	108.2
149	L	29.6	Very low	30.1	Very low	157 Å²	157	127 Å²	127	82%	0.822	76%	0.762	S	S	*	*			trans	48.1	130.7	148.7	-64.6	164.7	0	0	0	121.8
150	S	25.5	Very low	30.4	Very low	129 Å²	129	125.4 Å²	125.4	90%	0.902	76%	0.76	S	S	*	*				-170	164.1	128.3	32.9	0	0	0	0	111.7
151	S	27.9	Very low	30.6	Very low	98 Å²	98	124.1 Å²	124.1	69%	0.685	76%	0.757	S	S	*	*			trans	-128.9	165.8	-176.4	60.6	0	0	0	0	112.1
152	T	29.7	Very low	30.6	Very low	135 Å²	135	123.5 Å²	123.5	83%	0.828	75%	0.754	S	S	*	*			trans	72.9	150	157.9	38.6	0	0	0	0	120.3
153	S	31	Very low	30.3	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	76%	0.762	S	S	*	*			trans	-69.7	-175.7	-174.8	-31.4	0	0	0	0	113.9
154	P	51.3	Low	31	Very low	122 Å²	122	127.9 Å²	127.9	79%	0.792	76%	0.755	S	S	*	*			cis	-150.3	-168.1	21.3	43.5	-20.7	0	0	0	119.1
155	A	29.1	Very low	31	Very low	90 Å²	90	127.8 Å²	127.8	74%	0.744	76%	0.76	S	S	*	*			trans	85	98.5	142.6	0	0	0	0	0	124.1
156	S	30.5	Very low	31.1	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	77%	0.768	S	S	*	*				63.5	141.9	115.6	-151.9	0	0	0	0	125.3
157	S	37.2	Very low	32.1	Very low	113 Å²	113	128.6 Å²	128.6	79%	0.79	77%	0.766	S	S	*	*			trans	80.7	147.9	155.7	85.6	0	0	0	0	118.1
158	S	30.8	Very low	33.2	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	77%	0.768	S	S	*	*			cis	-156.7	147.3	-1.3	50.2	0	0	0	0	114.4
159	W	33.8	Very low	33	Very low	246 Å²	246	128 Å²	128	93%	0.932	77%	0.766	S	S	*	*			trans	56.4	166.1	140.1	-72.4	60.6	0	0	0	120.2
160	A	30.4	Very low	32.8	Very low	80 Å²	80	127 Å²	127	66%	0.661	76%	0.76	S	S	*	*			cis	-148.1	165.2	14.7	0	0	0	0	0	114.5
161	S	29.7	Very low	32.9	Very low	102 Å²	102	125.4 Å²	125.4	71%	0.713	75%	0.749	S	S	*	*			trans	60.8	141.6	163.6	-79.2	0	0	0	0	120
162	D	26.3	Very low	32.9	Very low	144 Å²	144	125.3 Å²	125.3	77%	0.77	75%	0.749	S	S	*	*			cis	-145.2	177.3	-1.4	-131.6	-59.4	0	0	0	114.9
163	R	30.5	Very low	32.7	Very low	227 Å²	227	125 Å²	125	86%	0.857	75%	0.746	S	S	*	*			trans	-93	-176.9	-166.9	-110.3	-178.1	165.8	-170.2	-2.7	113.4
164	P	40.4	Very low	32.5	Very low	102 Å²	102	124.2 Å²	124.2	66%	0.662	74%	0.741	S	S	*	*			cis	-138	167.6	-21.5	36.4	-19.3	0	0	0	115.9
165	A	26.4	Very low	31.4	Very low	88 Å²	88	123 Å²	123	73%	0.727	74%	0.736	S	S	*	*			trans	62.1	155.7	139.2	0	0	0	0	0	121.1
166	Q	30	Very low	31.7	Very low	183 Å²	183	124.2 Å²	124.2	86%	0.855	74%	0.738	S	S	*	*			cis	-155.9	166.9	-20	-112	-179.2	-36.4	0	0	108.5
167	P	49.4	Very low	32.5	Very low	108 Å²	108	124 Å²	124	70%	0.701	74%	0.735	S	S	*	*			trans	-85.2	-161.3	173.7	41.9	-37.9	0	0	0	109.7
168	P	49.8	Very low	32	Very low	102 Å²	102	123.8 Å²	123.8	66%	0.662	73%	0.732	S	S	*	*			cis	-131.1	-155	-8.7	21	5.9	0	0	0	113.3
169	L	24.5	Very low	31.8	Very low	140 Å²	140	128 Å²	128	73%	0.733	74%	0.738	S	S	*	*			trans	110.3	132.2	138.6	-62	170.6	0	0	0	122.3
170	I	25.1	Very low	31.6	Very low	136 Å²	136	121.7 Å²	121.7	70%	0.697	73%	0.732	S	S	*	*				73.6	146.2	128.5	-69.9	171.1	0	0	0	121.8
171	S	27.5	Very low	31.5	Very low	95 Å²	95	123.1 Å²	123.1	66%	0.664	74%	0.743	S	S	*	*			trans	71.8	131.1	161.4	61.6	0	0	0	0	117.3
172	S	26.9	Very low	31.5	Very low	97 Å²	97	123.1 Å²	123.1	68%	0.678	75%	0.75	S	S	*	*			cis	76	145	26.4	91.4	0	0	0	0	116
173	T	26.9	Very low	31.6	Very low	127 Å²	127	124.7 Å²	124.7	78%	0.779	76%	0.757	S	S	*	*			trans	62.6	145	161.5	41.6	0	0	0	0	117
174	S	26.8	Very low	31.3	Very low	96 Å²	96	119 Å²	119	67%	0.671	75%	0.752	S	S	*	*			cis	-166.7	-178.7	-9	49.8	0	0	0	0	111
175	S	28.5	Very low	30.7	Very low	96 Å²	96	119.4 Å²	119.4	67%	0.671	76%	0.757	S	S	*	*			trans	59.7	100.3	141.9	57.1	0	0	0	0	119.2
176	S	35.4	Very low	30.7	Very low	115 Å²	115	120.6 Å²	120.6	80%	0.804	76%	0.76	S	S	*	*			trans	-56.1	162.8	139.1	56.1	0	0	0	0	111.7
177	P	45.5	Very low	31	Very low	112 Å²	112	121.2 Å²	121.2	73%	0.727	76%	0.76	S	S	*	*				-146.9	150	124.2	35.2	-19.5	0	0	0	117.3
178	C	26.9	Very low	31.2	Very low	108 Å²	108	120.6 Å²	120.6	73%	0.73	76%	0.756	S	S	*	*			trans	76.1	116.3	140.2	-76.5	0	0	0	0	123.8
179	K	28.1	Very low	30.3	Very low	183 Å²	183	124.2 Å²	124.2	80%	0.796	76%	0.762	S	S	*	*				89.6	102.5	124	-70.7	178.3	-178.7	179.3	0	121.6
180	S	27.8	Very low	30.8	Very low	115 Å²	115	125.8 Å²	125.8	80%	0.804	77%	0.77	S	S	*	*				59.1	113.2	126.3	64.7	0	0	0	0	121.9
181	A	29.6	Very low	31.1	Very low	109 Å²	109	123.9 Å²	123.9	90%	0.901	77%	0.769	S	S	*	*			trans	-159.3	172.1	132.8	0	0	0	0	0	110.1
182	A	28.4	Very low	31.3	Very low	103 Å²	103	126.8 Å²	126.8	85%	0.851	78%	0.776	S	S	*	*			trans	-97	172.9	-179.1	0	0	0	0	0	113.5
183	L	30	Very low	31.4	Very low	177 Å²	177	127.6 Å²	127.6	93%	0.927	78%	0.776	S	S	*	*			trans	-64.7	140.6	-175.3	-61.4	162	0	0	0	114.3
184	S	24.3	Very low	31.7	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	78%	0.781	S	S	*	*				160.9	154.7	112.1	-167.9	0	0	0	0	113.1
185	S	26.1	Very low	31.9	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	78%	0.778	S	S	*	*			trans	63.5	162.9	168.4	75.7	0	0	0	0	117.4
186	S	26.4	Very low	32.1	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	79%	0.787	S	S	*	*			cis	-161.9	170.1	-35.8	54.4	0	0	0	0	109.5
187	K	37.4	Very low	31.7	Very low	196 Å²	196	134 Å²	134	85%	0.852	78%	0.778	S	S	*	*			trans	-69.3	178.6	164.6	-48.7	175.2	-177.3	176.4	0	110.3
188	P	54.2	Low	31.4	Very low	95 Å²	95	135 Å²	135	62%	0.617	78%	0.777	S	S	*	*			cis	-122.7	-163.8	-13.5	27.8	-3	0	0	0	111.5
189	F	29.1	Very low	31.7	Very low	178 Å²	178	136.1 Å²	136.1	78%	0.781	78%	0.776	S	S	*	*				177.5	158.1	74.1	-94.2	-68.7	0	0	0	112.6
190	L	34.9	Very low	32.4	Very low	173 Å²	173	133 Å²	133	91%	0.906	77%	0.772	S	S	*	*			trans	-137.9	156.9	137.6	-82.8	-178.5	0	0	0	109
191	S	32.1	Very low	32.4	Very low	96 Å²	96	134.9 Å²	134.9	67%	0.671	77%	0.773	S	S	*	*			trans	-140.1	154.3	-171.2	54.4	0	0	0	0	111.1
192	L	31.4	Very low	32.8	Very low	156 Å²	156	134.4 Å²	134.4	82%	0.817	76%	0.763	S	S	*	*				176.4	165.1	88.3	-87.2	142	0	0	0	106.7
193	V	29.6	Very low	33	Very low	113 Å²	113	140.1 Å²	140.1	69%	0.685	76%	0.762	S	S	*	*				-174.4	130.6	62.9	163.2	0	0	0	0	110.3
194	R	32.7	Very low	33	Very low	230 Å²	230	137.9 Å²	137.9	87%	0.868	75%	0.747	S	S	*	*			trans	47.4	153.6	148.5	-71.3	-178.2	171.2	108.4	-0	122.5
195	S	32.2	Very low	33.2	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	75%	0.745	S	S	*	*			cis	-176.4	152.1	-6.7	47.3	0	0	0	0	115.4
196	L	31.4	Very low	33.4	Very low	164 Å²	164	137.6 Å²	137.6	86%	0.859	75%	0.746	S	S	*	*			trans	69.2	151.6	145.3	-71.7	165.2	0	0	0	119.8
197	S	27.8	Very low	34.7	Very low	88 Å²	88	137.8 Å²	137.8	62%	0.615	75%	0.745	S	S	*	*			cis	-169.1	145.8	-9.5	-168.3	0	0	0	0	113.5
198	N	38.6	Very low	34.1	Very low	132 Å²	132	135.1 Å²	135.1	71%	0.706	74%	0.744	S	S	*	*			trans	42.4	163.7	145.7	-69.9	39.4	0	0	0	123.4
199	D	34	Very low	32.8	Very low	131 Å²	131	138.4 Å²	138.4	70%	0.701	76%	0.755	S	S	*	*			cis	-154.2	170.1	2	-125.3	-33.2	0	0	0	116.9
200	V	42.1	Very low	32.8	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.715	75%	0.751	S	S	*	*			trans	-39.3	156	171.8	160.7	0	0	0	0	122.8
201	D	28.3	Very low	32.3	Very low	155 Å²	155	131.7 Å²	131.7	83%	0.829	74%	0.744	S	S	*	*				-165.7	169.7	125.7	-133.6	-34.8	0	0	0	116.6
202	S	38	Very low	32.1	Very low	99 Å²	99	133.7 Å²	133.7	69%	0.692	75%	0.752	S	S	*	*			trans	-163.4	159.5	-167.3	64.5	0	0	0	0	118
203	R	32.2	Very low	32	Very low	222 Å²	222	132.5 Å²	132.5	84%	0.838	75%	0.751	S	S	*	*			trans	173.7	162.9	161.5	-103.4	-169.7	145.2	95.6	11.9	113.2
204	E	30.4	Very low	33.6	Very low	131 Å²	131	132.5 Å²	132.5	61%	0.612	75%	0.754	S	S	*	*			cis	-152.1	-115.9	-24.4	-140.2	-158.6	102.8	0	0	117.1
205	T	28.5	Very low	35	Very low	116 Å²	116	126.5 Å²	126.5	71%	0.712	75%	0.745	S	S	*	*			trans	-131.7	168.2	-151.5	42.7	0	0	0	0	119.6
206	A	30.8	Very low	35	Very low	95 Å²	95	130.9 Å²	130.9	79%	0.785	76%	0.755	S	S	*	*			trans	114.3	150.5	146.4	0	0	0	0	0	121.7
207	P	52.7	Low	35.1	Very low	118 Å²	118	127.1 Å²	127.1	77%	0.766	75%	0.748	S	S	*	*			trans	-147.7	-171.3	-139.5	42.2	-19.6	0	0	0	122.4
208	V	26.2	Very low	35.6	Very low	139 Å²	139	133.9 Å²	133.9	84%	0.842	76%	0.76	S	S	*	*			trans	69.1	170.9	166.1	-104.5	0	0	0	0	119.8
209	I	26.3	Very low	35.3	Very low	164 Å²	164	135.4 Å²	135.4	84%	0.841	76%	0.762	S	S	*	*			cis	-138.5	-166.9	27.9	-59.5	167.2	0	0	0	112.4
210	A	27.9	Very low	35.5	Very low	83 Å²	83	139.8 Å²	139.8	69%	0.686	77%	0.769	S	S	*	*			trans	-95.5	-170.9	-176	0	0	0	0	0	115.4
211	T	25.8	Very low	35.1	Very low	127 Å²	127	142 Å²	142	78%	0.779	77%	0.771	S	S	*	*			cis	-171.6	163.3	36.3	-26.6	0	0	0	0	114.7
212	V	26.8	Very low	35.5	Very low	138 Å²	138	142 Å²	142	84%	0.836	77%	0.77	S	S	*	*			trans	79	143.5	163.5	-172.4	0	0	0	0	119.4
213	V	30.1	Very low	35	Very low	131 Å²	131	145.8 Å²	145.8	79%	0.794	78%	0.779	S	S	*	*			trans	-160.2	140.6	-169	132.1	0	0	0	0	107.7
214	P	63.7	Low	35.9	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	78%	0.781	S	S	*	*				-154.1	-149.1	70.4	46.5	-24.4	0	0	0	113
215	P	60.8	Low	36.1	Very low	104 Å²	104	144.2 Å²	144.2	68%	0.675	79%	0.792	S	S	*	*			cis	-128.9	176.4	-17.3	38.2	-19.5	0	0	0	117.5
216	H	32.6	Very low	36.1	Very low	179 Å²	179	149.1 Å²	149.1	83%	0.829	80%	0.804	S	S	*	*			trans	78.5	87.1	164.7	-69.8	-72.5	0	0	0	122.8
217	A	34.6	Very low	36.3	Very low	86 Å²	86	151 Å²	151	71%	0.711	81%	0.805	S	S	*	*				25.7	150.1	125.9	0	0	0	0	0	122.9
218	R	36.3	Very low	35.2	Very low	229 Å²	229	154.9 Å²	154.9	86%	0.864	81%	0.81	S	S	*	*			cis	-173.6	174.5	-5	-107.2	176.3	174.5	165.8	-0.4	107
219	H	33.6	Very low	35.4	Very low	165 Å²	165	153 Å²	153	76%	0.764	80%	0.803	S	S	*	*			cis	-149	-170.3	-0.2	-156.7	-98.6	0	0	0	109.5
220	R	37.4	Very low	35.5	Very low	223 Å²	223	153.4 Å²	153.4	84%	0.842	81%	0.806	S	S	*	*			trans	-152	-173.2	171.3	-151.1	165.6	170.9	152.1	-2.8	114.1
221	H	34.8	Very low	35.3	Very low	165 Å²	165	154.3 Å²	154.3	76%	0.764	81%	0.807	S	S	*	*			trans	-85.1	172.6	-168.6	-68.5	-116.4	0	0	0	118
222	L	36.7	Very low	35.5	Very low	153 Å²	153	155.1 Å²	155.1	80%	0.801	81%	0.812	S	S	*	*			trans	81.3	135.3	135.7	-93	162.3	0	0	0	122.5
223	M	27.2	Very low	35.4	Very low	180 Å²	180	155 Å²	155	89%	0.887	81%	0.807	S	S	*	*				173.9	-177.1	115.9	-89.9	-157.7	78.8	0	0	113.7
224	K	50.4	Low	35.4	Very low	199 Å²	199	154.1 Å²	154.1	87%	0.865	80%	0.802	S	S	*	*			trans	-131.4	146.9	-177.4	-61	175.2	177.6	176.7	0	112.2
225	S	34.3	Very low	33.7	Very low	121 Å²	121	154.4 Å²	154.4	85%	0.846	81%	0.806	S	S	*	*			trans	-166.2	177.4	159.6	60.5	0	0	0	0	114.9
226	F	28.3	Very low	32.3	Very low	219 Å²	219	159.6 Å²	159.6	96%	0.961	82%	0.818	S	S	*	*			trans	-97.8	-172.2	-171.8	-80.3	-96.5	0	0	0	115.1
227	V	34.8	Very low	32.2	Very low	135 Å²	135	154.3 Å²	154.3	82%	0.818	81%	0.813	S	S	*	*			trans	-127.8	134.3	-163	179.9	0	0	0	0	114.8
228	K	31.1	Very low	32.1	Very low	199 Å²	199	158.5 Å²	158.5	87%	0.865	82%	0.817	S	S	*	*			trans	154	152.5	150.6	-90.7	168.9	179.7	176.9	0	109.6
229	S	30.8	Very low	32.2	Very low	99 Å²	99	154.9 Å²	154.9	69%	0.692	81%	0.81	S	S	*	*			cis	-171.6	175.9	-6.9	45.4	0	0	0	0	110.5
230	L	27.8	Very low	32.4	Very low	172 Å²	172	154.6 Å²	154.6	90%	0.901	81%	0.809	S	S	*	*			trans	113.9	172.4	167.2	-60.2	169.7	0	0	0	116.1
231	S	23.8	Very low	31.9	Very low	103 Å²	103	151.5 Å²	151.5	72%	0.72	80%	0.804	S	S	*	*			trans	-129.6	-169.9	-145.9	-50.1	0	0	0	0	115.1
232	T	28.7	Very low	31.5	Very low	143 Å²	143	146.8 Å²	146.8	88%	0.877	80%	0.8	S	S	*	*			trans	79.8	155.7	171.1	70	0	0	0	0	118
233	D	25.4	Very low	32.3	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	79%	0.793	S	S	*	*			cis	-163.8	162	-36.9	-171.1	32.9	0	0	0	111
234	T	29.9	Very low	32.4	Very low	112 Å²	112	142.7 Å²	142.7	69%	0.687	79%	0.787	S	S	*	*			trans	25.9	155.7	162.9	45.5	0	0	0	0	126.1
235	S	27.3	Very low	31.5	Very low	120 Å²	120	140.4 Å²	140.4	84%	0.839	78%	0.779	S	S	*	*			trans	87	162	160.8	79.7	0	0	0	0	120
236	K	32.4	Very low	31.4	Very low	213 Å²	213	141 Å²	141	93%	0.926	77%	0.768	S	S	*	*				168.3	125.9	-72.8	178	-172.1	176.6	-167.4	0	110.9
237	G	31.1	Very low	31.5	Very low	69 Å²	69	137.9 Å²	137.9	71%	0.711	76%	0.757	S	S	*	*			trans	127.1	157	165.7	0	0	0	0	0	114.9
238	E	32.7	Very low	31.5	Very low	173 Å²	173	135.9 Å²	135.9	81%	0.808	75%	0.749	S	S	*	*			cis	-162.9	150.4	-11.2	-99.2	-172.1	133.1	0	0	111.3
239	H	38.2	Very low	31.5	Very low	154 Å²	154	134.4 Å²	134.4	71%	0.713	75%	0.745	S	S	*	*			trans	38.9	159.4	143.3	-68	-51	0	0	0	124.8
240	H	37.6	Very low	31.7	Very low	158 Å²	158	137.4 Å²	137.4	73%	0.731	75%	0.747	S	S	*	*			cis	-155.7	176	-1.9	-143.3	86.7	0	0	0	114.6
241	E	27.3	Very low	32	Very low	159 Å²	159	135.6 Å²	135.6	74%	0.743	73%	0.734	S	S	*	*			trans	78.9	158.9	164.9	-80.1	-138.1	-106.3	0	0	119.6
242	G	25.8	Very low	32.3	Very low	66 Å²	66	138.2 Å²	138.2	68%	0.68	74%	0.735	S	S	*	*			cis	140.7	166.7	-5.9	0	0	0	0	0	113.7
243	P	52.8	Low	32.2	Very low	99 Å²	99	136.7 Å²	136.7	64%	0.643	73%	0.726	S	S	*	*			cis	-131.5	-175.7	-18.9	37.4	-19.1	0	0	0	115.4
244	L	29.3	Very low	32.2	Very low	148 Å²	148	138.6 Å²	138.6	78%	0.775	73%	0.73	S	S	*	*			trans	80.7	165.7	171.8	-51.9	179.3	0	0	0	116.8
245	Q	32.5	Very low	32.8	Very low	150 Å²	150	137.5 Å²	137.5	70%	0.701	73%	0.725	S	S	*	*			cis	-170.3	168.5	-42.3	-105.4	-170	18.3	0	0	107.8
246	H	31.2	Very low	33	Very low	133 Å²	133	137.6 Å²	137.6	62%	0.616	72%	0.721	S	S	*	*			cis	-162.2	166	-13.7	-126.2	-18.7	0	0	0	110.6
247	H	31.6	Very low	32.8	Very low	154 Å²	154	136.5 Å²	136.5	71%	0.713	72%	0.718	S	S	*	*			trans	45.5	139.9	159.5	-63.9	97.3	0	0	0	122.4
248	S	33.3	Very low	32.6	Very low	93 Å²	93	143.8 Å²	143.8	65%	0.65	73%	0.725	S	S	*	*			cis	-169.9	153.9	-10.7	52.8	0	0	0	0	115
249	H	32.4	Very low	32.8	Very low	169 Å²	169	141.6 Å²	141.6	78%	0.782	72%	0.723	S	S	*	*			trans	76.1	119.7	158.5	-84.7	-77	0	0	0	124.4
250	H	35.1	Very low	33.9	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.745	73%	0.725	S	S	*	*			trans	58.5	145.8	152.2	-85.2	17.5	0	0	0	120.6
251	Q	33.3	Very low	34.4	Very low	134 Å²	134	137.4 Å²	137.4	63%	0.626	72%	0.723	S	S	*	*			cis	-167.6	129.2	-11.2	164.4	174.8	3	0	0	111.2
252	Q	31.7	Very low	34.4	Very low	158 Å²	158	140.3 Å²	140.3	74%	0.738	73%	0.728	S	S	*	*			trans	62.9	140.3	149.4	-171.8	173.8	-11.1	0	0	120
253	T	25.1	Very low	34.5	Very low	112 Å²	112	142.7 Å²	142.7	69%	0.687	73%	0.725	S	S	*	*			cis	-160.9	141.1	-14.9	23.1	0	0	0	0	107.8
254	Q	26	Very low	33.3	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	73%	0.726	S	S	*	*				55.3	150.7	89.5	-83.1	-150	-0.2	0	0	118.7
255	P	42.8	Very low	33.4	Very low	88 Å²	88	145.2 Å²	145.2	57%	0.571	73%	0.726	S	S	*	*			cis	-148.9	145.9	-26.4	40.3	-20.6	0	0	0	119.5
256	T	31.3	Very low	33.4	Very low	122 Å²	122	145.1 Å²	145.1	75%	0.748	73%	0.729	S	S	*	*			trans	55.5	122.1	130.4	68.3	0	0	0	0	128.3
257	H	28.9	Very low	33.3	Very low	190 Å²	190	147.5 Å²	147.5	88%	0.88	74%	0.738	S	S	*	*				62.3	171.5	121.4	-75.9	-96.7	0	0	0	125.6
258	R	27.1	Very low	33	Very low	223 Å²	223	148.8 Å²	148.8	84%	0.842	74%	0.742	S	S	*	*			trans	-91.9	138.3	-160.1	-65.6	173.7	164.9	165.3	-6.7	116.4
259	T	35.1	Very low	32.8	Very low	126 Å²	126	151.4 Å²	151.4	77%	0.773	74%	0.744	S	S	*	*			trans	48.6	157	137.9	63.1	0	0	0	0	123.1
260	P	62.2	Low	32.6	Very low	116 Å²	116	152.1 Å²	152.1	75%	0.753	75%	0.745	S	S	*	*			cis	-128.4	-64.2	-23.1	27.5	-10.4	0	0	0	125.3
261	P	47.3	Very low	32.2	Very low	108 Å²	108	149.2 Å²	149.2	70%	0.701	74%	0.743	S	S	*	*				-130.1	162.5	-104.8	38.6	-21.8	0	0	0	121.2
262	R	27.8	Very low	32.3	Very low	220 Å²	220	151 Å²	151	83%	0.83	75%	0.751	S	S	*	*			trans	86.7	136.4	142.8	-152.7	-170.6	174.6	171.1	0.9	122.4
263	N	27.7	Very low	32.4	Very low	116 Å²	116	149.6 Å²	149.6	62%	0.62	76%	0.756	S	S	*	*			trans	76.3	112.9	147.5	-91.8	21.7	0	0	0	125.6
264	M	28.6	Very low	32.4	Very low	137 Å²	137	154.4 Å²	154.4	68%	0.675	76%	0.761	S	S	*	*				57.1	121.7	117.9	-68.4	-176	67.9	0	0	125.6
265	Q	31.4	Very low	32.5	Very low	164 Å²	164	152.2 Å²	152.2	77%	0.766	75%	0.754	S	S	*	*			trans	86.1	161.2	130.7	-78.8	-168.9	-12	0	0	123.2
266	L	31.5	Very low	31.7	Very low	147 Å²	147	151.4 Å²	151.4	77%	0.77	75%	0.751	S	S	*	*			trans	80.6	139.4	-179.9	-53.1	176.2	0	0	0	115.1
267	F	29.1	Very low	31.5	Very low	183 Å²	183	151.1 Å²	151.1	80%	0.803	75%	0.754	S	S	*	*			cis	-134.3	178.3	-0.4	-127.5	-77.2	0	0	0	111.6
268	K	26.7	Very low	32	Very low	181 Å²	181	147.1 Å²	147.1	79%	0.787	75%	0.746	S	S	*	*			trans	-89.9	173.5	-179.3	-67.7	179.3	175.3	174.7	0	114.2
269	Q	29.1	Very low	32.2	Very low	149 Å²	149	142.4 Å²	142.4	70%	0.696	74%	0.744	S	S	*	*			trans	93	141.6	159.3	-64	165.1	-104.3	0	0	115.7
270	F	28.1	Very low	31.8	Very low	183 Å²	183	143 Å²	143	80%	0.803	75%	0.748	S	S	*	*			cis	-127.8	-170.2	9.3	-113.2	-72.7	0	0	0	113.7
271	S	26.6	Very low	30.6	Very low	101 Å²	101	141.6 Å²	141.6	71%	0.706	75%	0.746	S	S	*	*			trans	-78.1	156.3	-165.4	46.8	0	0	0	0	118.1
272	Q	35.6	Very low	30	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	75%	0.751	S	S	*	*			trans	-65.4	166.9	159.2	-63.4	177.6	-28.6	0	0	112.7
273	P	32.4	Very low	30.7	Very low	129 Å²	129	137.7 Å²	137.7	84%	0.838	74%	0.744	S	S	*	*				-134.8	-173.2	124.9	36.3	-23.8	0	0	0	114.1
274	R	26.2	Very low	31.2	Very low	213 Å²	213	141.5 Å²	141.5	80%	0.804	76%	0.758	S	S	*	*			trans	-129.5	179.3	-174.4	-54.8	-173.9	-159.6	156.4	5.3	112.6
275	L	26.4	Very low	31.3	Very low	130 Å²	130	139.2 Å²	139.2	68%	0.681	76%	0.761	S	S	*	*			trans	86.8	156.8	155	-62.8	-177.5	0	0	0	118.6	D288	L275-D288 HydrophobicContact CD2-CB 3.93Å; L275-D288 VanDerWaalsContact CD2-OD2 3.28Å; L275-D288 WeakPolarHBondContact CD2-OD2 3.4Å
276	S	27.4	Very low	31.2	Very low	71 Å²	71	135.2 Å²	135.2	50%	0.497	76%	0.764	S	S	.	*			trans	-110.8	151.2	-164	59.4	0	0	0	0	114.1
277	S	26.5	Very low	31	Very low	116 Å²	116	131.2 Å²	131.2	81%	0.811	76%	0.758	S	S	*	*				-177.2	125.8	125.8	51.1	0	0	0	0	111.5
278	C	40.3	Very low	30.9	Very low	106 Å²	106	127.2 Å²	127.2	72%	0.716	75%	0.745	S	S	*	*			trans	-78.2	158.6	166.2	-50	0	0	0	0	109.6
279	P	31.3	Very low	31.1	Very low	124 Å²	124	123 Å²	123	81%	0.805	74%	0.738	S	S	*	*				-152.7	130.5	87.6	36.3	-16.9	0	0	0	116.6
280	V	26.1	Very low	31.4	Very low	139 Å²	139	125.6 Å²	125.6	84%	0.842	75%	0.748	S	S	*	*	S	Bend	trans	-135.1	143.7	140	-176.8	0	0	0	0	106
281	A	37.1	Very low	31.5	Very low	86 Å²	86	123.1 Å²	123.1	71%	0.711	75%	0.747	S	S	*	*	S	Bend	trans	-61.9	137.1	172.8	0	0	0	0	0	109.3
282	V	35	Very low	32.3	Very low	136 Å²	136	122.6 Å²	122.6	82%	0.824	75%	0.749	S	S	*	*	S	Bend	cis	-102.6	107.7	49.1	-174.5	0	0	0	0	113.9
283	T	41.6	Very low	32.4	Very low	110 Å²	110	119.9 Å²	119.9	68%	0.675	75%	0.746	S	S	*	*	S	Bend	trans	53.2	79.8	158.2	57.6	0	0	0	0	121.2
284	Q	37.2	Very low	32.1	Very low	196 Å²	196	119 Å²	119	92%	0.916	74%	0.743	S	S	*	*			trans	71.7	129.5	134.3	-68	176.4	-31.9	0	0	123.2
285	A	32.3	Very low	32.8	Very low	90 Å²	90	114.1 Å²	114.1	74%	0.744	74%	0.742	S	S	*	*			trans	-58.9	176.2	-176.8	0	0	0	0	0	118.8
286	G	28.4	Very low	33.5	Very low	79 Å²	79	113.3 Å²	113.3	81%	0.814	74%	0.744	S	S	*	*			cis	131.7	131.6	-7.4	0	0	0	0	0	115.8
287	G	28.2	Very low	33.7	Very low	64 Å²	64	116.9 Å²	116.9	66%	0.66	76%	0.756	S	S	*	*			trans	135.7	138.9	160.4	0	0	0	0	0	120.8
288	D	26	Very low	33.7	Very low	99 Å²	99	119 Å²	119	53%	0.529	76%	0.755	S	S	.	*			trans	-46.9	-173.3	167.8	-81.8	-87.4	0	0	0	119.9	L275	L275-D288 HydrophobicContact CD2-CB 3.93Å; L275-D288 VanDerWaalsContact CD2-OD2 3.28Å; L275-D288 WeakPolarHBondContact CD2-OD2 3.4Å
289	S	31.9	Very low	33.6	Very low	91 Å²	91	118.5 Å²	118.5	64%	0.636	75%	0.753	S	S	*	*			cis	174.9	123.1	-38.3	-84	0	0	0	0	111.4
290	K	33.9	Very low	34.2	Very low	205 Å²	205	118 Å²	118	89%	0.891	75%	0.75	S	S	*	*			trans	61.1	150.8	172.5	-55.5	-174.9	177.4	-176.2	0	114.9
291	T	30.1	Very low	34.5	Very low	130 Å²	130	119.4 Å²	119.4	80%	0.798	75%	0.753	S	S	*	*			cis	-154.6	154.3	31.6	-46.1	0	0	0	0	109.6
292	A	44.4	Very low	34.1	Very low	90 Å²	90	118.8 Å²	118.8	74%	0.744	76%	0.755	S	S	*	*			trans	-67.5	148.5	168.5	0	0	0	0	0	111.4
293	P	36.9	Very low	34.3	Very low	113 Å²	113	124.4 Å²	124.4	73%	0.734	76%	0.761	S	S	*	*				-146.6	166.2	104.9	40.3	-26.1	0	0	0	116.2
294	S	25.8	Very low	33.9	Very low	110 Å²	110	124.7 Å²	124.7	77%	0.769	77%	0.768	S	S	*	*			trans	12.5	131.3	155.1	57.9	0	0	0	0	122.3
295	S	41.6	Very low	34	Very low	111 Å²	111	124.6 Å²	124.6	78%	0.776	76%	0.764	S	S	*	*			trans	-51.9	158.3	154.7	-30.6	0	0	0	0	113
296	P	41.9	Very low	34.3	Very low	114 Å²	114	130.3 Å²	130.3	74%	0.74	77%	0.773	S	S	*	*				-150.4	156.6	79.6	39.6	-21.3	0	0	0	118.1
297	I	31	Very low	35.4	Very low	146 Å²	146	132.8 Å²	132.8	75%	0.749	76%	0.761	S	S	*	*				18.9	127.9	123.9	-54.4	169.4	0	0	0	115.4
298	M	27.2	Very low	36.5	Very low	159 Å²	159	134.9 Å²	134.9	78%	0.783	76%	0.761	S	S	*	*				-166.1	152.5	51.5	-144.5	147.1	60.5	0	0	114.2
299	S	36.7	Very low	37.3	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	77%	0.772	S	S	*	*			trans	40.1	147.6	143.2	63.2	0	0	0	0	122.9
300	P	44.9	Very low	38.1	Very low	113 Å²	113	136.6 Å²	136.6	73%	0.734	76%	0.756	S	S	*	*			cis	-135.8	166.9	27.8	39.9	-22.1	0	0	0	118.2
301	D	31.8	Very low	38.8	Very low	169 Å²	169	131.1 Å²	131.1	90%	0.904	74%	0.74	S	S	*	*			trans	24.1	121.6	158.5	-61.2	-29.5	0	0	0	121.7
302	G	29.3	Very low	40	Very low	73 Å²	73	130.6 Å²	130.6	75%	0.753	73%	0.728	S	S	*	*			trans	-162.7	-3.5	177.6	0	0	0	0	0	120.6
303	R	39.1	Very low	40.8	Very low	253 Å²	253	129.1 Å²	129.1	96%	0.955	72%	0.716	S	S	*	*			trans	58.6	117.3	179.1	-46.3	176.3	-174.5	-152.3	-0.2	116.7
304	S	33.4	Very low	41.3	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	71%	0.71	S	S	*	*				169.9	139.3	125.7	-169.3	0	0	0	0	112.3
305	F	40	Very low	42.9	Very low	194 Å²	194	131.2 Å²	131.2	85%	0.851	70%	0.699	S	S	*	*			trans	-54.1	138	-180	-62.2	-100.5	0	0	0	115.2
306	F	38.7	Very low	43.9	Very low	211 Å²	211	130.6 Å²	130.6	93%	0.925	68%	0.684	S	S	*	*			trans	-129.8	146.4	143.3	-116	-91.5	0	0	0	110.1	V308	F306-V308 PolarHBondContact O-N 3.09Å
307	K	51.4	Low	44.5	Very low	130 Å²	130	128.6 Å²	128.6	57%	0.565	67%	0.667	S	S	*	*			trans	-109.1	69.5	-141.5	-159.3	177	175.3	-165.1	0	113.1	Q309 E310 V311	K307-Q309 PolarHBondContact O-N 3.23Å; K307-E310 HydrophobicContact CB-CB 4.34Å; K307-E310 HydrophobicContact CD-CB 3.73Å; K307-E310 WeakPolarHBondContact CD-OE2 3.36Å; K307-E310 VanDerWaalsContact CE-OE2 3.32Å; K307-E310 WeakPolarHBondContact CE-OE2 3.46Å; K307-E310 HydrophobicContact CG-CB 3.77Å; K307-E310 IonicContact NZ-OE2 2.67Å; K307-E310 PolarHBondContact NZ-OE2 3.25Å; K307-E310 PolarHBondContact O-N 2.96Å; K307-V311 PolarHBondContact O-N 3.07Å
308	V	50.1	Low	45.6	Very low	109 Å²	109	125.1 Å²	125.1	66%	0.661	65%	0.653	S	S	*	*	H	α-helix	trans	-49.8	-47	178.4	-179.9	0	0	0	0	111.2	F306 E310 V311 E312	F306-V308 PolarHBondContact O-N 3.09Å; V308-E310 VanDerWaalsContact C-N 3.27Å; V308-E310 PolarHBondContact O-N 3.35Å; V308-V311 PolarHBondContact O-N 2.8Å; V308-E312 WeakPolarHBondContact O-CB 3.35Å; V308-E312 PolarHBondContact O-N 3.44Å
309	Q	43.6	Very low	46.7	Very low	161 Å²	161	123 Å²	123	75%	0.752	64%	0.639	S	S	*	*	H	α-helix	trans	-58	-26.6	177.3	-98.9	-179.6	-20	0	0	115.3	K307 A313	K307-Q309 PolarHBondContact O-N 3.23Å; Q309-A313 WeakPolarHBondContact O-CB 3.33Å; Q309-A313 PolarHBondContact O-N 3.35Å
310	E	48	Very low	47.6	Very low	64 Å²	64	126.1 Å²	126.1	30%	0.299	64%	0.636	S	S	.	*	H	α-helix	trans	-79.4	-36.8	173.2	-178.7	172.3	163.2	0	0	111.6	K307 V308 R314	K307-E310 HydrophobicContact CB-CB 4.34Å; K307-E310 HydrophobicContact CD-CB 3.73Å; K307-E310 WeakPolarHBondContact CD-OE2 3.36Å; K307-E310 VanDerWaalsContact CE-OE2 3.32Å; K307-E310 WeakPolarHBondContact CE-OE2 3.46Å; K307-E310 HydrophobicContact CG-CB 3.77Å; K307-E310 IonicContact NZ-OE2 2.67Å; K307-E310 PolarHBondContact NZ-OE2 3.25Å; K307-E310 PolarHBondContact O-N 2.96Å; V308-E310 VanDerWaalsContact C-N 3.27Å; V308-E310 PolarHBondContact O-N 3.35Å; E310-R314 HydrophobicContact CG-CG 4.39Å; E310-R314 VanDerWaalsContact O-CB 3.28Å; E310-R314 WeakPolarHBondContact O-CB 3.45Å; E310-R314 VanDerWaalsContact O-CG 3.26Å; E310-R314 WeakPolarHBondContact O-CG 3.45Å; E310-R314 PolarHBondContact O-N 2.96Å; E310-R314 IonicContact OE1-CZ 3.36Å; E310-R314 VanDerWaalsContact OE1-CZ 3.29Å; E310-R314 IonicContact OE1-NE 2.68Å; E310-R314 PolarHBondContact OE1-NE 3.13Å; E310-R314 IonicContact OE1-NH2 2.7Å; E310-R314 PolarHBondContact OE1-NH2 3.17Å
311	V	49.3	Very low	47.8	Very low	91 Å²	91	127.7 Å²	127.7	55%	0.552	63%	0.627	S	S	*	*	H	α-helix	trans	-67.8	-43.8	176.1	-179.2	0	0	0	0	110	K307 V308 R314 I315	K307-V311 PolarHBondContact O-N 3.07Å; V308-V311 PolarHBondContact O-N 2.8Å; V311-R314 PolarHBondContact O-N 2.84Å; V311-I315 HydrophobicContact CG1-CD1 3.94Å; V311-I315 WeakPolarHBondContact O-CB 3.45Å; V311-I315 VanDerWaalsContact O-CG1 3.25Å; V311-I315 WeakPolarHBondContact O-CG1 3.35Å; V311-I315 PolarHBondContact O-N 3.26Å
312	E	54.3	Low	48.3	Very low	118 Å²	118	121.2 Å²	121.2	55%	0.551	59%	0.593	S	S	*	*	H	α-helix	trans	-63.4	-48.9	175.2	-170.7	167.2	-141.5	0	0	111.5	V308 R314 I315 E316	V308-E312 WeakPolarHBondContact O-CB 3.35Å; V308-E312 PolarHBondContact O-N 3.44Å; E312-R314 VanDerWaalsContact C-N 3.33Å; E312-R314 PolarHBondContact O-N 2.92Å; E312-I315 PolarHBondContact O-N 3.47Å; E312-I315 VanDerWaalsContact O-N 3.12Å; E312-E316 WeakPolarHBondContact O-CB 3.34Å; E312-E316 PolarHBondContact O-N 3.2Å
313	A	61.3	Low	49.3	Very low	59 Å²	59	120.8 Å²	120.8	49%	0.488	58%	0.578	S	S	.	*	H	α-helix	trans	-63.3	-34.2	174.8	0	0	0	0	0	113.1	Q309 D317	Q309-A313 WeakPolarHBondContact O-CB 3.33Å; Q309-A313 PolarHBondContact O-N 3.35Å; A313-D317 VanDerWaalsContact O-CB 3.22Å; A313-D317 WeakPolarHBondContact O-CB 3.39Å; A313-D317 PolarHBondContact O-N 3.44Å
314	R	48.1	Very low	49.9	Very low	160 Å²	160	113.2 Å²	113.2	60%	0.604	55%	0.553	S	S	*	*	H	α-helix	trans	-70.5	-34.7	172.5	-77.4	-178.5	-171.2	-116.8	7.9	112.4	E310 V311 E312 T318	E310-R314 HydrophobicContact CG-CG 4.39Å; E310-R314 VanDerWaalsContact O-CB 3.28Å; E310-R314 WeakPolarHBondContact O-CB 3.45Å; E310-R314 VanDerWaalsContact O-CG 3.26Å; E310-R314 WeakPolarHBondContact O-CG 3.45Å; E310-R314 PolarHBondContact O-N 2.96Å; E310-R314 IonicContact OE1-CZ 3.36Å; E310-R314 VanDerWaalsContact OE1-CZ 3.29Å; E310-R314 IonicContact OE1-NE 2.68Å; E310-R314 PolarHBondContact OE1-NE 3.13Å; E310-R314 IonicContact OE1-NH2 2.7Å; E310-R314 PolarHBondContact OE1-NH2 3.17Å; V311-R314 PolarHBondContact O-N 2.84Å; E312-R314 VanDerWaalsContact C-N 3.33Å; E312-R314 PolarHBondContact O-N 2.92Å; R314-T318 VanDerWaalsContact O-CB 3.22Å; R314-T318 WeakPolarHBondContact O-CB 3.4Å; R314-T318 PolarHBondContact O-N 2.7Å; R314-T318 PolarHBondContact O-OG1 3.15Å
315	I	59	Low	50.4	Low	108 Å²	108	112 Å²	112	55%	0.554	54%	0.541	S	S	*	.	H	α-helix	trans	-68.6	-42.2	174.2	-72.3	165.9	0	0	0	110	V311 E312 T318 K319	V311-I315 HydrophobicContact CG1-CD1 3.94Å; V311-I315 WeakPolarHBondContact O-CB 3.45Å; V311-I315 VanDerWaalsContact O-CG1 3.25Å; V311-I315 WeakPolarHBondContact O-CG1 3.35Å; V311-I315 PolarHBondContact O-N 3.26Å; E312-I315 PolarHBondContact O-N 3.47Å; E312-I315 VanDerWaalsContact O-N 3.12Å; I315-T318 PolarHBondContact O-N 2.98Å; I315-K319 WeakPolarHBondContact O-CB 3.33Å; I315-K319 PolarHBondContact O-N 2.84Å
316	E	63.8	Low	50.3	Low	97 Å²	97	108.1 Å²	108.1	45%	0.453	53%	0.527	S	S	.	.	H	α-helix	trans	-68	-40.8	176.9	-159.1	63.2	-126.3	0	0	111.7	E312 K319 R320	E312-E316 WeakPolarHBondContact O-CB 3.34Å; E312-E316 PolarHBondContact O-N 3.2Å; E316-K319 VanDerWaalsContact CD-NZ 3.33Å; E316-K319 PolarHBondContact O-N 3.44Å; E316-K319 WeakPolarHBondContact OE1-CD 3.19Å; E316-K319 VanDerWaalsContact OE1-CE 3.27Å; E316-K319 WeakPolarHBondContact OE1-CE 3.14Å; E316-K319 IonicContact OE1-NZ 3.39Å; E316-K319 PolarHBondContact OE1-NZ 3.29Å; E316-K319 IonicContact OE2-NZ 2.67Å; E316-K319 PolarHBondContact OE2-NZ 3.28Å; E316-R320 VanDerWaalsContact O-CB 3.28Å; E316-R320 WeakPolarHBondContact O-CB 3.47Å; E316-R320 PolarHBondContact O-N 3.42Å
317	D	53.2	Low	50.6	Low	72 Å²	72	99.8 Å²	99.8	39%	0.385	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-38.6	172.6	-171.2	63.7	0	0	0	111.9	A313 R320 R321	A313-D317 VanDerWaalsContact O-CB 3.22Å; A313-D317 WeakPolarHBondContact O-CB 3.39Å; A313-D317 PolarHBondContact O-N 3.44Å; D317-R320 PolarHBondContact O-N 2.99Å; D317-R321 VanDerWaalsContact O-CB 3.32Å; D317-R321 WeakPolarHBondContact O-CB 3.44Å; D317-R321 WeakPolarHBondContact O-CG 3.38Å; D317-R321 PolarHBondContact O-N 2.89Å; D317-R321 IonicContact OD1-NE 3.94Å; D317-R321 IonicContact OD2-CZ 2.8Å; D317-R321 IonicContact OD2-NE 3.85Å; D317-R321 PolarHBondContact OD2-NE 3.41Å; D317-R321 IonicContact OD2-NH2 3.24Å
318	T	54.3	Low	50.2	Low	73 Å²	73	99 Å²	99	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-39.8	174.6	-55.8	0	0	0	0	111.1	R314 I315 L322	R314-T318 VanDerWaalsContact O-CB 3.22Å; R314-T318 WeakPolarHBondContact O-CB 3.4Å; R314-T318 PolarHBondContact O-N 2.7Å; R314-T318 PolarHBondContact O-OG1 3.15Å; I315-T318 PolarHBondContact O-N 2.98Å; T318-L322 WeakPolarHBondContact O-CB 3.32Å; T318-L322 PolarHBondContact O-N 2.89Å
319	K	50.1	Low	49.6	Very low	114 Å²	114	96.1 Å²	96.1	50%	0.496	48%	0.48	S	S	.	.	H	α-helix	trans	-62.8	-42.4	173.2	170.4	-175.3	163.1	-154.7	0	111.2	I315 E316 L322 S323	I315-K319 WeakPolarHBondContact O-CB 3.33Å; I315-K319 PolarHBondContact O-N 2.84Å; E316-K319 VanDerWaalsContact CD-NZ 3.33Å; E316-K319 PolarHBondContact O-N 3.44Å; E316-K319 WeakPolarHBondContact OE1-CD 3.19Å; E316-K319 VanDerWaalsContact OE1-CE 3.27Å; E316-K319 WeakPolarHBondContact OE1-CE 3.14Å; E316-K319 IonicContact OE1-NZ 3.39Å; E316-K319 PolarHBondContact OE1-NZ 3.29Å; E316-K319 IonicContact OE2-NZ 2.67Å; E316-K319 PolarHBondContact OE2-NZ 3.28Å; K319-L322 PolarHBondContact O-N 3.43Å; K319-S323 PolarHBondContact O-N 3.39Å; K319-S323 PolarHBondContact O-OG 3.05Å
320	R	55.5	Low	49.3	Very low	163 Å²	163	92.3 Å²	92.3	62%	0.615	46%	0.464	S	S	*	.	H	α-helix	trans	-65	-52	175.7	-172.7	175.5	-176.2	154.2	4.2	111.7	E316 D317 L322 S323 E324	E316-R320 VanDerWaalsContact O-CB 3.28Å; E316-R320 WeakPolarHBondContact O-CB 3.47Å; E316-R320 PolarHBondContact O-N 3.42Å; D317-R320 PolarHBondContact O-N 2.99Å; R320-L322 PolarHBondContact O-N 3.14Å; R320-S323 WeakPolarHBondContact CA-OG 3.31Å; R320-S323 CarbonylContact O-C 3.59Å; R320-S323 PolarHBondContact O-N 3.41Å; R320-S323 VanDerWaalsContact O-N 3.09Å; R320-S323 PolarHBondContact O-OG 2.88Å; R320-E324 WeakPolarHBondContact O-CG 3.39Å; R320-E324 PolarHBondContact O-N 3.47Å
321	R	49.6	Very low	49	Very low	147 Å²	147	95 Å²	95	56%	0.555	48%	0.477	S	S	*	.	H	α-helix	trans	-57.6	-36.1	173.4	-72.9	169.7	-177.7	-93.5	-5.4	112.7	D317 E324 V325	D317-R321 VanDerWaalsContact O-CB 3.32Å; D317-R321 WeakPolarHBondContact O-CB 3.44Å; D317-R321 WeakPolarHBondContact O-CG 3.38Å; D317-R321 PolarHBondContact O-N 2.89Å; D317-R321 IonicContact OD1-NE 3.94Å; D317-R321 IonicContact OD2-CZ 2.8Å; D317-R321 IonicContact OD2-NE 3.85Å; D317-R321 PolarHBondContact OD2-NE 3.41Å; D317-R321 IonicContact OD2-NH2 3.24Å; R321-E324 PolarHBondContact O-N 3.46Å; R321-V325 VanDerWaalsContact O-CB 3.3Å; R321-V325 WeakPolarHBondContact O-CB 3.44Å; R321-V325 VanDerWaalsContact O-CG2 3.23Å; R321-V325 WeakPolarHBondContact O-CG2 3.33Å; R321-V325 PolarHBondContact O-N 3.46Å
322	L	43.4	Very low	48.5	Very low	33 Å²	33	95.8 Å²	95.8	17%	0.173	48%	0.477	C	S	.	.	H	α-helix	trans	-74.4	-35.2	177.2	-175.4	141.9	0	0	0	111.7	T318 K319 R320 M326 F1055 I1056	T318-L322 WeakPolarHBondContact O-CB 3.32Å; T318-L322 PolarHBondContact O-N 2.89Å; K319-L322 PolarHBondContact O-N 3.43Å; R320-L322 PolarHBondContact O-N 3.14Å; L322-M326 HydrophobicContact CD2-SD 3.64Å; L322-M326 HydrophobicContact CG-SD 4.32Å; L322-M326 VanDerWaalsContact O-CB 3.3Å; L322-M326 WeakPolarHBondContact O-CB 3.23Å; L322-M326 VanDerWaalsContact O-CG 3.28Å; L322-M326 WeakPolarHBondContact O-CG 3.31Å; L322-M326 PolarHBondContact O-N 2.94Å; L322-F1055 HydrophobicContact CD1-CD1 3.47Å; L322-F1055 VanDerWaalsContact CD1-CD1 3.47Å; L322-F1055 HydrophobicContact CD1-CE1 3.48Å; L322-F1055 VanDerWaalsContact CD1-CE1 3.48Å; L322-F1055 HydrophobicContact CD2-CE1 4.4Å; L322-I1056 HydrophobicContact CD1-CD1 4.05Å; L322-I1056 HydrophobicContact CD1-CG1 3.57Å
323	S	49.2	Very low	47.8	Very low	63 Å²	63	92 Å²	92	44%	0.441	46%	0.46	S	S	.	.	H	α-helix	trans	-65.5	-37.8	168	59.6	0	0	0	0	112.2	K319 R320 M326 S327	K319-S323 PolarHBondContact O-N 3.39Å; K319-S323 PolarHBondContact O-OG 3.05Å; R320-S323 WeakPolarHBondContact CA-OG 3.31Å; R320-S323 CarbonylContact O-C 3.59Å; R320-S323 PolarHBondContact O-N 3.41Å; R320-S323 VanDerWaalsContact O-N 3.09Å; R320-S323 PolarHBondContact O-OG 2.88Å; S323-M326 PolarHBondContact O-N 2.78Å; S323-S327 WeakPolarHBondContact O-CA 3.1Å; S323-S327 WeakPolarHBondContact O-CB 3.28Å; S323-S327 PolarHBondContact O-N 2.77Å; S323-S327 PolarHBondContact O-OG 3.2Å; S323-S327 VanDerWaalsContact O-OG 3.07Å
324	E	50.7	Low	46.7	Very low	95 Å²	95	93.6 Å²	93.6	44%	0.444	47%	0.467	S	S	.	.	H	α-helix	trans	-65.9	-48.6	173.7	-72.5	170.2	148.5	0	0	111.7	R320 R321 M326 S327 D328	R320-E324 WeakPolarHBondContact O-CG 3.39Å; R320-E324 PolarHBondContact O-N 3.47Å; R321-E324 PolarHBondContact O-N 3.46Å; E324-M326 PolarHBondContact O-N 3.2Å; E324-S327 WeakPolarHBondContact CA-OG 3.24Å; E324-S327 PolarHBondContact O-N 3.1Å; E324-S327 VanDerWaalsContact O-N 3.14Å; E324-S327 PolarHBondContact O-OG 3.03Å; E324-S327 VanDerWaalsContact O-OG 3.13Å; E324-D328 WeakPolarHBondContact O-CB 3.27Å; E324-D328 PolarHBondContact O-N 3.42Å
325	V	44.4	Very low	46.1	Very low	90 Å²	90	93.1 Å²	93.1	55%	0.545	47%	0.469	S	S	.	.	H	α-helix	trans	-68.6	-20.9	179.2	169.9	0	0	0	0	112.8	R321 P329	R321-V325 VanDerWaalsContact O-CB 3.3Å; R321-V325 WeakPolarHBondContact O-CB 3.44Å; R321-V325 VanDerWaalsContact O-CG2 3.23Å; R321-V325 WeakPolarHBondContact O-CG2 3.33Å; R321-V325 PolarHBondContact O-N 3.46Å; V325-P329 WeakPolarHBondContact O-CD 3.16Å; V325-P329 WeakPolarHBondContact O-CG 3.38Å
326	M	39.3	Very low	45.2	Very low	112 Å²	112	92.1 Å²	92.1	55%	0.552	46%	0.464	S	S	*	.	H	α-helix	trans	-87.9	-34.4	168	-72.5	179.7	59	0	0	112.7	L322 S323 E324 L330	L322-M326 HydrophobicContact CD2-SD 3.64Å; L322-M326 HydrophobicContact CG-SD 4.32Å; L322-M326 VanDerWaalsContact O-CB 3.3Å; L322-M326 WeakPolarHBondContact O-CB 3.23Å; L322-M326 VanDerWaalsContact O-CG 3.28Å; L322-M326 WeakPolarHBondContact O-CG 3.31Å; L322-M326 PolarHBondContact O-N 2.94Å; S323-M326 PolarHBondContact O-N 2.78Å; E324-M326 PolarHBondContact O-N 3.2Å; M326-L330 WeakPolarHBondContact O-CD1 3.39Å; M326-L330 VanDerWaalsContact O-CG 3.26Å; M326-L330 WeakPolarHBondContact O-CG 3.49Å; M326-L330 PolarHBondContact O-N 3.24Å
327	S	45.1	Very low	44.3	Very low	36 Å²	36	91.2 Å²	91.2	25%	0.252	46%	0.461	S	S	.	.	H	α-helix	trans	-74.6	-38.5	179.9	68	0	0	0	0	112.4	S323 E324 L330 Q331	S323-S327 WeakPolarHBondContact O-CA 3.1Å; S323-S327 WeakPolarHBondContact O-CB 3.28Å; S323-S327 PolarHBondContact O-N 2.77Å; S323-S327 PolarHBondContact O-OG 3.2Å; S323-S327 VanDerWaalsContact O-OG 3.07Å; E324-S327 WeakPolarHBondContact CA-OG 3.24Å; E324-S327 PolarHBondContact O-N 3.1Å; E324-S327 VanDerWaalsContact O-N 3.14Å; E324-S327 PolarHBondContact O-OG 3.03Å; E324-S327 VanDerWaalsContact O-OG 3.13Å; S327-L330 PolarHBondContact O-N 3.34Å; S327-Q331 VanDerWaalsContact O-CB 3.24Å; S327-Q331 WeakPolarHBondContact O-CB 3.28Å; S327-Q331 VanDerWaalsContact O-CG 3.28Å; S327-Q331 WeakPolarHBondContact O-CG 3.42Å; S327-Q331 PolarHBondContact O-N 3.45Å
328	D	42.1	Very low	43.5	Very low	113 Å²	113	89.8 Å²	89.8	60%	0.604	46%	0.463	S	S	*	.	H	α-helix	trans	-56.7	-51.3	-179.3	-96.5	8.3	0	0	0	111.9	E324 L332	E324-D328 WeakPolarHBondContact O-CB 3.27Å; E324-D328 PolarHBondContact O-N 3.42Å; D328-L332 WeakPolarHBondContact O-CB 3.04Å; D328-L332 PolarHBondContact O-N 3.14Å
329	P	38	Very low	42.8	Very low	49 Å²	49	92.1 Å²	92.1	32%	0.318	47%	0.473	S	S	.	.	H	α-helix	trans	-59.8	-47.5	173	-24.3	34.5	0	0	0	112.7	V325 Q331 L332 F333	V325-P329 WeakPolarHBondContact O-CD 3.16Å; V325-P329 WeakPolarHBondContact O-CG 3.38Å; P329-Q331 PolarHBondContact O-N 2.95Å; P329-L332 WeakPolarHBondContact O-CB 3.32Å; P329-L332 PolarHBondContact O-N 2.87Å; P329-L332 VanDerWaalsContact O-N 3.16Å; P329-F333 WeakPolarHBondContact O-CD2 3.27Å; P329-F333 PolarHBondContact O-N 3.46Å
330	L	37.4	Very low	42.4	Very low	81 Å²	81	93.9 Å²	93.9	42%	0.424	48%	0.483	S	S	.	.	H	α-helix	trans	-67.3	-36.4	-175.6	-68.4	173.5	0	0	0	112.6	M326 S327 F333 S334	M326-L330 WeakPolarHBondContact O-CD1 3.39Å; M326-L330 VanDerWaalsContact O-CG 3.26Å; M326-L330 WeakPolarHBondContact O-CG 3.49Å; M326-L330 PolarHBondContact O-N 3.24Å; S327-L330 PolarHBondContact O-N 3.34Å; L330-F333 WeakPolarHBondContact O-CB 3.42Å; L330-F333 PolarHBondContact O-N 3.46Å; L330-S334 PolarHBondContact O-N 2.98Å; L330-S334 PolarHBondContact O-OG 3.32Å
331	Q	40.5	Very low	41.6	Very low	121 Å²	121	91 Å²	91	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-71.3	-33.5	172.1	-70.7	-178.6	14.6	0	0	111.5	S327 P329 F333 S334 K335	S327-Q331 VanDerWaalsContact O-CB 3.24Å; S327-Q331 WeakPolarHBondContact O-CB 3.28Å; S327-Q331 VanDerWaalsContact O-CG 3.28Å; S327-Q331 WeakPolarHBondContact O-CG 3.42Å; S327-Q331 PolarHBondContact O-N 3.45Å; P329-Q331 PolarHBondContact O-N 2.95Å; Q331-F333 VanDerWaalsContact C-N 3.28Å; Q331-F333 PolarHBondContact O-N 2.92Å; Q331-S334 PolarHBondContact O-N 3.12Å; Q331-K335 WeakPolarHBondContact O-CB 3.35Å; Q331-K335 PolarHBondContact O-N 3.42Å
332	L	39.6	Very low	40.9	Very low	107 Å²	107	88.8 Å²	88.8	56%	0.56	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-37.9	169.9	-148.6	80.3	0	0	0	111	D328 P329 I336	D328-L332 WeakPolarHBondContact O-CB 3.04Å; D328-L332 PolarHBondContact O-N 3.14Å; P329-L332 WeakPolarHBondContact O-CB 3.32Å; P329-L332 PolarHBondContact O-N 2.87Å; P329-L332 VanDerWaalsContact O-N 3.16Å; L332-I336 HydrophobicContact CD2-CD1 4.12Å; L332-I336 HydrophobicContact CG-CD1 3.87Å; L332-I336 VanDerWaalsContact O-CB 3.31Å; L332-I336 WeakPolarHBondContact O-CB 3.43Å; L332-I336 VanDerWaalsContact O-CG1 3.23Å; L332-I336 WeakPolarHBondContact O-CG1 3.49Å; L332-I336 PolarHBondContact O-N 3.45Å
333	F	38.6	Very low	40.3	Very low	40 Å²	40	94.2 Å²	94.2	18%	0.175	53%	0.529	C	S	.	.	H	α-helix	trans	-65.9	-52.2	172.1	-79.3	-68.6	0	0	0	112.7	P329 L330 Q331 K335 I336 I337 F1037 I1041	P329-F333 WeakPolarHBondContact O-CD2 3.27Å; P329-F333 PolarHBondContact O-N 3.46Å; L330-F333 WeakPolarHBondContact O-CB 3.42Å; L330-F333 PolarHBondContact O-N 3.46Å; Q331-F333 VanDerWaalsContact C-N 3.28Å; Q331-F333 PolarHBondContact O-N 2.92Å; F333-K335 PolarHBondContact O-N 3.01Å; F333-I336 PolarHBondContact O-N 3.24Å; F333-I337 HydrophobicContact CD1-CD1 4.42Å; F333-I337 WeakPolarHBondContact O-CB 3.37Å; F333-I337 VanDerWaalsContact O-CG1 3.31Å; F333-I337 WeakPolarHBondContact O-CG1 3.4Å; F333-I337 PolarHBondContact O-N 3.04Å; F333-F1037 HydrophobicContact CE1-CB 3.66Å; F333-F1037 HydrophobicContact CE1-CD1 4.29Å; F333-F1037 HydrophobicContact CE1-CG 4.04Å; F333-F1037 HydrophobicContact CZ-CB 3.97Å; F333-I1041 HydrophobicContact CD2-CD1 4.16Å; F333-I1041 HydrophobicContact CE2-CD1 3.23Å; F333-I1041 HydrophobicContact CE2-CG1 3.57Å; F333-I1041 HydrophobicContact CZ-CD1 3.52Å; F333-I1041 HydrophobicContact CZ-CG1 3.67Å
334	S	38.5	Very low	39.3	Very low	91 Å²	91	94.4 Å²	94.4	64%	0.636	54%	0.541	S	S	*	.	H	α-helix	trans	-59.3	-33.2	177.4	-61.1	0	0	0	0	112.9	L330 Q331 G338	L330-S334 PolarHBondContact O-N 2.98Å; L330-S334 PolarHBondContact O-OG 3.32Å; Q331-S334 PolarHBondContact O-N 3.12Å; S334-G338 PolarHBondContact O-N 3.4Å
335	K	36.8	Very low	38.8	Very low	151 Å²	151	95.9 Å²	95.9	66%	0.657	56%	0.559	S	S	*	*	H	α-helix	trans	-80.5	-42.1	-178.5	-169.6	166	-175.8	170.5	0	113.2	Q331 F333 I337 G338 D339	Q331-K335 WeakPolarHBondContact O-CB 3.35Å; Q331-K335 PolarHBondContact O-N 3.42Å; F333-K335 PolarHBondContact O-N 3.01Å; K335-I337 VanDerWaalsContact C-N 3.34Å; K335-G338 PolarHBondContact O-N 3.49Å; K335-D339 PolarHBondContact O-N 2.96Å
336	I	39.6	Very low	38.2	Very low	87 Å²	87	96.8 Å²	96.8	45%	0.446	58%	0.576	S	S	.	*	H	α-helix	trans	-67.5	-36.9	176.1	-69.1	170.1	0	0	0	110.9	L332 F333	L332-I336 HydrophobicContact CD2-CD1 4.12Å; L332-I336 HydrophobicContact CG-CD1 3.87Å; L332-I336 VanDerWaalsContact O-CB 3.31Å; L332-I336 WeakPolarHBondContact O-CB 3.43Å; L332-I336 VanDerWaalsContact O-CG1 3.23Å; L332-I336 WeakPolarHBondContact O-CG1 3.49Å; L332-I336 PolarHBondContact O-N 3.45Å; F333-I336 PolarHBondContact O-N 3.24Å
337	I	43.9	Very low	37.7	Very low	78 Å²	78	95.4 Å²	95.4	40%	0.4	59%	0.591	S	S	.	*	H	α-helix	trans	-79.6	-29.2	178.9	-62.3	170.3	0	0	0	111.4	F333 K335 E340	F333-I337 HydrophobicContact CD1-CD1 4.42Å; F333-I337 WeakPolarHBondContact O-CB 3.37Å; F333-I337 VanDerWaalsContact O-CG1 3.31Å; F333-I337 WeakPolarHBondContact O-CG1 3.4Å; F333-I337 PolarHBondContact O-N 3.04Å; K335-I337 VanDerWaalsContact C-N 3.34Å; I337-E340 PolarHBondContact O-N 3.24Å
338	G	37.6	Very low	36.9	Very low	41 Å²	41	99.6 Å²	99.6	42%	0.423	62%	0.62	S	S	.	*	H	α-helix	trans	-65.8	-33.7	174.3	0	0	0	0	0	114.1	S334 K335 E340 S341	S334-G338 PolarHBondContact O-N 3.4Å; K335-G338 PolarHBondContact O-N 3.49Å; G338-E340 PolarHBondContact O-N 3.28Å; G338-S341 PolarHBondContact O-OG 3Å
339	D	39.2	Very low	36.2	Very low	123 Å²	123	98.7 Å²	98.7	66%	0.658	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-69.7	-11.3	177	-79	-16.8	0	0	0	113.3	K335 S341	K335-D339 PolarHBondContact O-N 2.96Å; D339-S341 PolarHBondContact O-N 3.36Å
340	E	41.6	Very low	35.8	Very low	150 Å²	150	100.1 Å²	100.1	70%	0.701	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-74.8	16.8	178.1	-58.3	-163.2	-155.4	0	0	113.7	I337 G338	I337-E340 PolarHBondContact O-N 3.24Å; G338-E340 PolarHBondContact O-N 3.28Å
341	S	38	Very low	35.3	Very low	104 Å²	104	104.9 Å²	104.9	73%	0.727	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-114	13	-174.2	62.6	0	0	0	0	116	G338 D339	G338-S341 PolarHBondContact O-OG 3Å; D339-S341 PolarHBondContact O-N 3.36Å
342	S	35.6	Very low	34.7	Very low	99 Å²	99	110.5 Å²	110.5	69%	0.692	68%	0.68	S	S	*	*			trans	-151.7	107.6	170	60.6	0	0	0	0	115.5
343	V	31.5	Very low	34	Very low	147 Å²	147	109 Å²	109	89%	0.891	69%	0.69	S	S	*	*			trans	-141.2	90.4	159.1	-174.3	0	0	0	0	110.6
344	G	27	Very low	33.4	Very low	67 Å²	67	117.4 Å²	117.4	69%	0.691	73%	0.727	S	S	*	*			trans	-90.2	156	143.5	0	0	0	0	0	109
345	P	41.2	Very low	33	Very low	126 Å²	126	118.4 Å²	118.4	82%	0.818	73%	0.734	S	S	*	*			trans	-89.3	157	-160	33.5	-36.7	0	0	0	116.7
346	A	30.8	Very low	32.6	Very low	109 Å²	109	119.3 Å²	119.3	90%	0.901	75%	0.745	S	S	*	*			trans	80.5	149.5	158.4	0	0	0	0	0	119.8
347	G	28.8	Very low	32	Very low	84 Å²	84	119.4 Å²	119.4	87%	0.866	75%	0.753	S	S	*	*			trans	117.8	110.9	169.4	0	0	0	0	0	114.7
348	S	27.6	Very low	31.3	Very low	124 Å²	124	120.1 Å²	120.1	87%	0.867	77%	0.765	S	S	*	*			trans	-122.3	135.3	175.2	175.5	0	0	0	0	110.8
349	A	27.8	Very low	30.9	Very low	93 Å²	93	123.7 Å²	123.7	77%	0.769	78%	0.784	S	S	*	*			trans	171.5	162.7	130.2	0	0	0	0	0	114.9
350	A	29.3	Very low	30.5	Very low	80 Å²	80	122.1 Å²	122.1	66%	0.661	79%	0.788	S	S	*	*			trans	80.5	100.4	144.7	0	0	0	0	0	122.5
351	H	28.5	Very low	29.9	Very low	181 Å²	181	120.1 Å²	120.1	84%	0.838	79%	0.791	S	S	*	*				82	107.4	124.1	-64.1	-33.6	0	0	0	124
352	R	26.4	Very low	29.5	Very low	238 Å²	238	124.2 Å²	124.2	90%	0.898	80%	0.798	S	S	*	*				85.4	54.7	108.4	-152.1	-166.6	-160	178.7	7.8	121.5
353	G	25.7	Very low	29.2	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	80%	0.803	S	S	*	*				71.2	-167.9	116.2	0	0	0	0	0	122.4
354	K	26	Very low	29.1	Very low	216 Å²	216	125.9 Å²	125.9	94%	0.939	80%	0.804	S	S	*	*			trans	75.5	116	-176.5	-64.7	-179.8	178.5	179.5	0	117.7
355	S	30.1	Very low	29.1	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	81%	0.809	S	S	*	*			trans	-65.2	148.4	167	50.6	0	0	0	0	114.7
356	L	27.5	Very low	28.5	Very low	171 Å²	171	126.6 Å²	126.6	90%	0.895	81%	0.808	S	S	*	*			trans	172.2	159	143.4	-88.3	176.4	0	0	0	105.8
357	S	27	Very low	28.3	Very low	88 Å²	88	127.6 Å²	127.6	62%	0.615	80%	0.802	S	S	*	*			cis	-174.3	148.5	-33.7	177.3	0	0	0	0	108.3
358	S	29.8	Very low	28.3	Very low	94 Å²	94	127.8 Å²	127.8	66%	0.657	80%	0.796	S	S	*	*			trans	51.8	116.5	146.5	58.7	0	0	0	0	122.3
359	S	28.5	Very low	28.3	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	80%	0.795	S	S	*	*				100.1	124.7	118.7	-66.5	0	0	0	0	123.2
360	A	31.1	Very low	28.3	Very low	90 Å²	90	131.7 Å²	131.7	74%	0.744	80%	0.799	S	S	*	*				77.5	129.8	127.6	0	0	0	0	0	122.6
361	S	30.2	Very low	28.2	Very low	108 Å²	108	131 Å²	131	76%	0.755	80%	0.799	S	S	*	*			trans	-3.4	152.3	133.7	-36.7	0	0	0	0	118
362	E	28.9	Very low	28.1	Very low	189 Å²	189	131 Å²	131	88%	0.883	80%	0.799	S	S	*	*				-154	-163.7	54.9	-80.2	-165.1	152	0	0	115.5
363	L	29.4	Very low	28.4	Very low	153 Å²	153	125.2 Å²	125.2	80%	0.801	79%	0.791	S	S	*	*			trans	-84.7	159.7	-162.4	-67.7	151.7	0	0	0	116
364	S	28.6	Very low	28.5	Very low	129 Å²	129	129.8 Å²	129.8	90%	0.902	79%	0.791	S	S	*	*			trans	72.4	163.8	146.7	78	0	0	0	0	119.3
365	G	28.3	Very low	28.8	Very low	77 Å²	77	123.6 Å²	123.6	79%	0.794	78%	0.781	S	S	*	*			trans	132.9	92.8	170.4	0	0	0	0	0	114.6
366	V	28.1	Very low	28.7	Very low	131 Å²	131	125.1 Å²	125.1	79%	0.794	78%	0.78	S	S	*	*			trans	-86.9	156.4	-177.3	173	0	0	0	0	112.1
367	T	27.1	Very low	28.8	Very low	129 Å²	129	123.4 Å²	123.4	79%	0.791	77%	0.772	S	S	*	*			trans	79.7	112.4	159.7	30.9	0	0	0	0	123
368	A	28.4	Very low	29	Very low	88 Å²	88	125.2 Å²	125.2	73%	0.727	78%	0.775	S	S	*	*				92.7	162.2	114.3	0	0	0	0	0	122.7
369	V	28.3	Very low	29.1	Very low	139 Å²	139	130.9 Å²	130.9	84%	0.842	78%	0.783	S	S	*	*			trans	73.7	118.6	178.5	-175.4	0	0	0	0	114.2
370	N	27.6	Very low	29.1	Very low	160 Å²	160	129.9 Å²	129.9	86%	0.856	78%	0.776	S	S	*	*			cis	102.7	131.3	20.3	-169.6	44.7	0	0	0	114.5
371	G	27.3	Very low	29	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	78%	0.778	S	S	*	*			trans	84.8	119.3	-176	0	0	0	0	0	113.2
372	H	25.5	Very low	29	Very low	182 Å²	182	135.1 Å²	135.1	84%	0.843	77%	0.774	S	S	*	*			cis	83.6	94.7	9.9	-158.3	-36.5	0	0	0	118
373	T	33.5	Very low	29	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	76%	0.762	S	S	*	*			trans	-175.2	154.5	153.8	32.4	0	0	0	0	106.2
374	E	28.3	Very low	29	Very low	171 Å²	171	134.3 Å²	134.3	80%	0.799	77%	0.766	S	S	*	*			cis	-150.4	132.4	-1.3	-106.6	146.2	-146.3	0	0	105.8
375	A	31.3	Very low	29	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	76%	0.764	S	S	*	*				94.4	113.7	64	0	0	0	0	0	114.5
376	N	27.5	Very low	29.1	Very low	143 Å²	143	132.8 Å²	132.8	77%	0.765	76%	0.762	S	S	*	*				-173	125	123.9	-112.9	-17.4	0	0	0	114.7
377	N	30	Very low	29.2	Very low	135 Å²	135	135 Å²	135	72%	0.722	76%	0.764	S	S	*	*				34.5	152.6	129.2	-63.9	-18.8	0	0	0	123.6
378	N	31.6	Very low	29.3	Very low	126 Å²	126	138 Å²	138	67%	0.674	77%	0.768	S	S	*	*			cis	-175	178	-28.4	-149.8	-25.9	0	0	0	108.6
379	Y	31.7	Very low	29.3	Very low	214 Å²	214	142.1 Å²	142.1	84%	0.839	77%	0.773	S	S	*	*			trans	73.5	139.8	178.6	-59.4	-87.7	0	0	0	115.9
380	S	28	Very low	29.4	Very low	95 Å²	95	143.4 Å²	143.4	66%	0.664	77%	0.77	S	S	*	*			cis	128.8	139.3	-17.9	-168.5	0	0	0	0	114.5
381	I	29.7	Very low	29.3	Very low	150 Å²	150	141.5 Å²	141.5	77%	0.769	76%	0.764	S	S	*	*			trans	88.1	118.9	160.5	-78.3	160.9	0	0	0	120.7
382	K	29.5	Very low	29.8	Very low	157 Å²	157	143.1 Å²	143.1	68%	0.683	76%	0.762	S	S	*	*			trans	82	123.6	144.7	-92.8	-177.8	157.7	-126.9	0	124.6
383	E	29.9	Very low	30	Very low	134 Å²	134	140.1 Å²	140.1	63%	0.626	76%	0.757	S	S	*	*				80.2	127.1	128.6	-83.8	163.7	-178.1	0	0	123.9
384	E	29.5	Very low	29.8	Very low	192 Å²	192	141.1 Å²	141.1	90%	0.897	75%	0.754	S	S	*	*			trans	61.7	158.6	150.1	-60.7	-170.3	160.1	0	0	120.3
385	G	28.4	Very low	30.1	Very low	83 Å²	83	141 Å²	141	86%	0.856	75%	0.751	S	S	*	*			trans	112.5	130.1	-178.2	0	0	0	0	0	113.5
386	A	30.4	Very low	30	Very low	90 Å²	90	140.2 Å²	140.2	74%	0.744	75%	0.751	S	S	*	*			trans	-121.2	154.4	170.4	0	0	0	0	0	109.9
387	E	29.9	Very low	30.7	Very low	179 Å²	179	139 Å²	139	84%	0.836	75%	0.751	S	S	*	*			trans	60.9	107.4	158	-69.6	166.4	-168.4	0	0	120
388	E	30.2	Very low	30.8	Very low	190 Å²	190	139.9 Å²	139.9	89%	0.888	76%	0.755	S	S	*	*			trans	71.3	149	134.4	-53.6	-159.8	137.4	0	0	125
389	E	27.4	Very low	31	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	76%	0.756	S	S	*	*			trans	77.6	109.5	159.8	-89.4	-168.1	159.7	0	0	126.5
390	E	29.7	Very low	31.2	Very low	166 Å²	166	132.4 Å²	132.4	78%	0.776	75%	0.745	S	S	*	*				77.4	-172.9	125.1	-123.2	-150.1	-154.5	0	0	123.8
391	T	26.5	Very low	31	Very low	119 Å²	119	136 Å²	136	73%	0.73	75%	0.749	S	S	*	*			trans	86.1	158.5	175.3	78.3	0	0	0	0	119.1
392	P	38.2	Very low	30.8	Very low	99 Å²	99	137 Å²	137	64%	0.643	75%	0.748	S	S	*	*			cis	-147.5	178.7	-34.4	33.4	-12	0	0	0	118.7
393	T	28.7	Very low	30.5	Very low	120 Å²	120	133.4 Å²	133.4	74%	0.736	74%	0.742	S	S	*	*			trans	74.9	145.2	139	42.6	0	0	0	0	123.3
394	E	29.5	Very low	30.1	Very low	138 Å²	138	137.2 Å²	137.2	65%	0.645	76%	0.757	S	S	*	*			cis	-169.4	164.7	-9.9	-139.6	-173.6	134.4	0	0	116.1
395	K	35.5	Very low	29.9	Very low	169 Å²	169	134 Å²	134	74%	0.735	75%	0.753	S	S	*	*			trans	77.6	153.6	161	-64	144.8	-177.1	126.7	0	118.8
396	G	28.1	Very low	29.7	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	75%	0.747	S	S	*	*			cis	108.3	151.7	-5.8	0	0	0	0	0	115.9
397	P	41.9	Very low	29.7	Very low	117 Å²	117	139.1 Å²	139.1	76%	0.76	76%	0.755	S	S	*	*			cis	-131.2	172.4	-3.5	43.5	-27.9	0	0	0	116.3
398	D	32.7	Very low	29.4	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	75%	0.751	S	S	*	*			trans	166.5	147.6	130.2	-95.5	-11.8	0	0	0	116.8
399	S	36.1	Very low	29.1	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	75%	0.749	S	S	*	*			trans	27.5	127.1	157.6	68.6	0	0	0	0	124.8
400	S	36.4	Very low	29.4	Very low	85 Å²	85	131 Å²	131	59%	0.594	75%	0.752	S	S	*	*			trans	48.1	127.6	140	58.3	0	0	0	0	121.3
401	F	23.6	Very low	29.3	Very low	171 Å²	171	128.9 Å²	128.9	75%	0.75	75%	0.752	S	S	*	*			cis	-168	165.3	1.2	-80.4	-42.3	0	0	0	105.9
402	F	25.3	Very low	29.1	Very low	171 Å²	171	127.5 Å²	127.5	75%	0.75	75%	0.753	S	S	*	*			cis	-166.9	158.2	-11.8	-106.9	-31.4	0	0	0	105.9
403	S	22.4	Very low	28.4	Very low	80 Å²	80	130 Å²	130	56%	0.559	76%	0.76	S	S	*	*			cis	-159.9	119.1	-14.7	-164.4	0	0	0	0	109
404	F	22.2	Very low	28.1	Very low	215 Å²	215	129.3 Å²	129.3	94%	0.943	76%	0.756	S	S	*	*			trans	-166.3	107.4	159	-89.6	-59.8	0	0	0	109.1
405	P	24.8	Very low	27.9	Very low	124 Å²	124	130.6 Å²	130.6	81%	0.805	76%	0.762	S	S	*	*			trans	-96.3	151.1	172	36	-31.3	0	0	0	111.7
406	S	23.9	Very low	27.4	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	77%	0.767	S	S	*	*			trans	-120.6	117.4	171.4	56.7	0	0	0	0	111.5
407	L	30.9	Very low	27.1	Very low	175 Å²	175	128.2 Å²	128.2	92%	0.916	76%	0.762	S	S	*	*			trans	63.3	131.8	152.6	-58.6	168.9	0	0	0	119.8
408	S	22.7	Very low	26.2	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	76%	0.759	S	S	*	*			trans	-150.2	159.5	147.3	67.8	0	0	0	0	109.4
409	L	25	Very low	26	Very low	160 Å²	160	123.5 Å²	123.5	84%	0.838	74%	0.744	S	S	*	*			trans	27	118.3	166.4	-87.5	61.2	0	0	0	118.9	P411	L409-P411 WeakPolarHBondContact O-CD 3.47Å
410	A	32.7	Very low	25.6	Very low	106 Å²	106	121.8 Å²	121.8	88%	0.876	73%	0.729	S	S	*	*			trans	-102.8	107.9	159.8	0	0	0	0	0	111.2
411	P	27.8	Very low	25.4	Very low	121 Å²	121	121.6 Å²	121.6	79%	0.786	72%	0.721	S	S	*	*			trans	-77.7	151.1	158.5	-7.6	25.8	0	0	0	110.3	L409	L409-P411 WeakPolarHBondContact O-CD 3.47Å
412	A	23.6	Very low	25.8	Very low	90 Å²	90	118.6 Å²	118.6	74%	0.744	71%	0.712	S	S	*	*			trans	-81.6	146.4	-175.5	0	0	0	0	0	114.2
413	L	22	Very low	25.9	Very low	151 Å²	151	120.5 Å²	120.5	79%	0.791	71%	0.714	S	S	*	*			trans	57.6	121.1	142.2	-68.3	166.8	0	0	0	121.3
414	T	22.8	Very low	26.1	Very low	107 Å²	107	120.5 Å²	120.5	66%	0.656	71%	0.714	S	S	*	*			trans	78.3	118.9	134.8	52.2	0	0	0	0	122.2
415	Q	25.8	Very low	26.7	Very low	164 Å²	164	115.9 Å²	115.9	77%	0.766	71%	0.706	S	S	*	*				69.1	65.7	129.4	-61.1	179.1	9.1	0	0	119.3	S417	Q415-S417 PolarHBondContact O-OG 3.36Å
416	A	24.3	Very low	26.7	Very low	102 Å²	102	114.2 Å²	114.2	84%	0.843	70%	0.697	S	S	*	*				-85.7	114.9	119.6	0	0	0	0	0	106.6
417	S	21.7	Very low	26.8	Very low	88 Å²	88	116.3 Å²	116.3	62%	0.615	70%	0.699	S	S	*	*			cis	51.3	98.9	30.8	-53	0	0	0	0	109.6	Q415	Q415-S417 PolarHBondContact O-OG 3.36Å
418	S	22.9	Very low	26.5	Very low	101 Å²	101	113.5 Å²	113.5	71%	0.706	69%	0.69	S	S	*	*			cis	177.9	171.3	38.8	47.3	0	0	0	0	112.3
419	S	29.2	Very low	26.7	Very low	70 Å²	70	116.4 Å²	116.4	49%	0.49	70%	0.696	S	S	.	*			trans	56.9	124	133.7	75.2	0	0	0	0	120.9
420	T	27.1	Very low	26.7	Very low	62 Å²	62	111.5 Å²	111.5	38%	0.38	68%	0.684	S	S	.	*				72.3	136.2	120.4	65.4	0	0	0	0	119.7	G93 L94	G93-T420 WeakPolarHBondContact CA-OG1 3.06Å; G93-T420 PolarHBondContact N-O 2.93Å; G93-T420 PolarHBondContact N-OG1 3.43Å; L94-T420 PolarHBondContact N-OG1 2.95Å
421	L	32.1	Very low	26.2	Very low	82 Å²	82	118.2 Å²	118.2	43%	0.429	69%	0.687	S	S	.	*			cis	-174.9	172.3	2.3	-112	178.3	0	0	0	105.9	A91 K92	A91-L421 CarbonylContact C-O 3.31Å; A91-L421 VanDerWaalsContact C-O 3.31Å; K92-L421 PolarHBondContact N-O 3.48Å; K92-L421 VanDerWaalsContact N-O 3.09Å
422	L	32.1	Very low	26	Very low	108 Å²	108	118.2 Å²	118.2	57%	0.565	69%	0.688	S	S	*	*			cis	-127.7	-179.8	-1.6	-69.5	96.7	0	0	0	108
423	R	27.1	Very low	26.1	Very low	210 Å²	210	119.1 Å²	119.1	79%	0.792	69%	0.689	S	S	*	*			cis	-158	133.3	13.2	-137.8	148.6	177.8	151.1	-0.4	106
424	S	26.9	Very low	26.2	Very low	80 Å²	80	119.3 Å²	119.3	56%	0.559	69%	0.687	S	S	*	*			cis	68.6	155.2	27.8	93	0	0	0	0	114.4
425	P	36.3	Very low	26.6	Very low	118 Å²	118	119.3 Å²	119.3	77%	0.766	69%	0.692	S	S	*	*			cis	-100.9	-148.5	1.4	43.3	-33.5	0	0	0	111.3
426	S	23.8	Very low	26.8	Very low	90 Å²	90	115.6 Å²	115.6	63%	0.629	69%	0.69	S	S	*	*			cis	-161.1	133.8	4.9	41.8	0	0	0	0	115.2
427	L	27	Very low	27.1	Very low	149 Å²	149	117.9 Å²	117.9	78%	0.78	69%	0.687	S	S	*	*				63	120.4	129	-59	172.2	0	0	0	124.1
428	T	24.3	Very low	27.6	Very low	117 Å²	117	119 Å²	119	72%	0.718	69%	0.69	S	S	*	*				75.1	153.9	127.8	60.2	0	0	0	0	123.5
429	L	27.3	Very low	28.1	Very low	168 Å²	168	118.7 Å²	118.7	88%	0.88	69%	0.693	S	S	*	*			trans	66.5	152.7	171.1	-97.5	63.3	0	0	0	116
430	G	23.5	Very low	28.4	Very low	57 Å²	57	124.7 Å²	124.7	59%	0.588	71%	0.705	S	S	*	*			cis	110.1	115	-6.8	0	0	0	0	0	114
431	R	23.4	Very low	28.6	Very low	248 Å²	248	126.3 Å²	126.3	94%	0.936	71%	0.708	S	S	*	*			trans	68.6	164.1	-176.1	-82.4	-176.2	172.2	174.2	-2.6	116.7
432	C	23.2	Very low	28.6	Very low	120 Å²	120	130.6 Å²	130.6	81%	0.811	73%	0.726	S	S	*	*			trans	-46.3	174.8	174.8	-40.4	0	0	0	0	116.1
433	S	24.4	Very low	28.6	Very low	109 Å²	109	131 Å²	131	76%	0.762	73%	0.728	S	S	*	*			trans	84.6	140.1	161.6	-171.1	0	0	0	0	116.1
434	M	25.1	Very low	29	Very low	155 Å²	155	129.5 Å²	129.5	76%	0.764	73%	0.731	S	S	*	*			cis	-173.5	149.4	-23.4	-167.7	-169.4	-55.5	0	0	107.4
435	S	30.1	Very low	29.3	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	74%	0.739	S	S	*	*			trans	63.8	-177.8	170.4	-42.6	0	0	0	0	113.7
436	A	30.5	Very low	29	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	74%	0.735	S	S	*	*			cis	-164.4	155.4	-2.9	0	0	0	0	0	107.1
437	L	30.8	Very low	29.4	Very low	150 Å²	150	135.1 Å²	135.1	79%	0.785	74%	0.741	S	S	*	*			cis	-143.6	137.5	-7.4	-86.6	178.8	0	0	0	106.1
438	V	32	Very low	29.5	Very low	111 Å²	111	135 Å²	135	67%	0.673	74%	0.737	S	S	*	*				56.6	112	85.7	178.9	0	0	0	0	115.9
439	A	34.5	Very low	29.8	Very low	94 Å²	94	136 Å²	136	78%	0.777	74%	0.737	S	S	*	*				-171	124.2	127.1	0	0	0	0	0	109.3
440	R	34.1	Very low	29.9	Very low	197 Å²	197	138.1 Å²	138.1	74%	0.743	74%	0.735	S	S	*	*			cis	-146.4	139	-6.9	-92.4	-71.9	179.1	142.1	2.8	106.6
441	Q	33.1	Very low	30	Very low	96 Å²	96	139.7 Å²	139.7	45%	0.449	74%	0.737	S	S	.	*				65.5	139.1	103.9	-135.2	103.8	42.8	0	0	113.3	D443	Q441-D443 PolarHBondContact NE2-OD2 3.23Å
442	E	31.6	Very low	30.2	Very low	171 Å²	171	135.9 Å²	135.9	80%	0.799	73%	0.729	S	S	*	*			cis	-144.8	123.9	12.9	0.5	-139.8	120.8	0	0	107.5
443	D	32.3	Very low	30.4	Very low	116 Å²	116	136.8 Å²	136.8	62%	0.62	73%	0.726	S	S	*	*				82.3	126.2	68.4	-59.8	-6.3	0	0	0	110.5	Q441	Q441-D443 PolarHBondContact NE2-OD2 3.23Å
444	E	34.6	Very low	30.4	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	73%	0.727	S	S	*	*			cis	-157.3	174.3	7.6	-76	167.7	161.6	0	0	106.9
445	D	32.9	Very low	30.5	Very low	136 Å²	136	140.4 Å²	140.4	73%	0.727	73%	0.727	S	S	*	*			cis	-163.5	151.4	-25	-109.7	33.3	0	0	0	108.6
446	F	31.1	Very low	30.3	Very low	158 Å²	158	142.5 Å²	142.5	69%	0.693	73%	0.729	S	S	*	*				58.9	147.5	92.2	-89.5	-88.4	0	0	0	118.2	E448	F446-E448 HydrophobicContact CE1-CG 4.37Å
447	C	31.5	Very low	30	Very low	111 Å²	111	143.3 Å²	143.3	75%	0.75	73%	0.728	S	S	*	*			cis	-131.6	172.9	9.7	-61.4	0	0	0	0	111.2
448	E	29.1	Very low	29.9	Very low	147 Å²	147	142.4 Å²	142.4	69%	0.687	73%	0.729	S	S	*	*			cis	70.2	143.3	31.9	-64.1	-157.3	150.1	0	0	115.6	F446	F446-E448 HydrophobicContact CE1-CG 4.37Å
449	L	31	Very low	29.6	Very low	137 Å²	137	143.9 Å²	143.9	72%	0.717	73%	0.733	S	S	*	*			cis	-158.7	-165.3	-7.2	-116.1	173.7	0	0	0	111.8
450	Y	29.3	Very low	29.5	Very low	214 Å²	214	144.7 Å²	144.7	84%	0.839	73%	0.728	S	S	*	*			trans	-67.7	157.1	-176.7	-85.8	-126.1	0	0	0	116.8
451	S	26.4	Very low	29.2	Very low	90 Å²	90	144.1 Å²	144.1	63%	0.629	73%	0.734	S	S	*	*				173	140.9	108.5	-103.7	0	0	0	0	117.8
452	E	27.5	Very low	29	Very low	167 Å²	167	145.8 Å²	145.8	78%	0.78	75%	0.751	S	S	*	*			trans	46.5	120.5	133.8	-64.4	156.9	133.6	0	0	125
453	D	27.1	Very low	29.6	Very low	140 Å²	140	142.4 Å²	142.4	75%	0.749	74%	0.744	S	S	*	*				55.9	127.9	124.6	-70.4	-3.7	0	0	0	126.7
454	F	24.9	Very low	29.3	Very low	178 Å²	178	144.5 Å²	144.5	78%	0.781	76%	0.755	S	S	*	*			trans	78.7	139.6	138.6	-91.3	-109	0	0	0	124.8
455	E	26.5	Very low	29.1	Very low	162 Å²	162	139.7 Å²	139.7	76%	0.757	75%	0.754	S	S	*	*			trans	77.6	114.1	148.2	-95.4	175.3	-146.4	0	0	125.6
456	L	25.1	Very low	28.7	Very low	152 Å²	152	141.1 Å²	141.1	80%	0.796	76%	0.756	S	S	*	*				93	137.1	123.4	-154.5	64.6	0	0	0	122.3
457	C	24.1	Very low	28.4	Very low	102 Å²	102	143.2 Å²	143.2	69%	0.689	76%	0.759	S	S	*	*			trans	-41.1	140.9	-177.1	-53.2	0	0	0	0	119.3
458	T	29.5	Very low	28.1	Very low	132 Å²	132	142.6 Å²	142.6	81%	0.81	76%	0.757	S	S	*	*				-174.4	128.2	97.5	25.1	0	0	0	0	109
459	D	26.5	Very low	27.9	Very low	142 Å²	142	143.8 Å²	143.8	76%	0.759	77%	0.766	S	S	*	*				95.2	156.3	64	-138.7	-21	0	0	0	112.9
460	T	30.8	Very low	27.6	Very low	111 Å²	111	142.5 Å²	142.5	68%	0.681	77%	0.768	S	S	*	*			trans	68.2	112.7	175.3	50.3	0	0	0	0	122.2
461	E	28	Very low	27.4	Very low	185 Å²	185	142 Å²	142	86%	0.864	77%	0.774	S	S	*	*				80.3	112.4	126.6	-62.2	-177.2	138.6	0	0	123.4
462	T	29.8	Very low	27.3	Very low	131 Å²	131	144.3 Å²	144.3	80%	0.804	77%	0.774	S	S	*	*			trans	-63.6	171.9	149.5	44.5	0	0	0	0	111.2
463	P	42.8	Very low	27.6	Very low	99 Å²	99	142.4 Å²	142.4	64%	0.643	78%	0.776	S	S	*	*			cis	-157.1	-170.1	37.2	46.8	-24.1	0	0	0	119.9
464	D	26.7	Very low	27.6	Very low	160 Å²	160	142.5 Å²	142.5	86%	0.856	77%	0.772	S	S	*	*			trans	67.7	139.8	150.9	-61	-28.9	0	0	0	122.6
465	G	30.2	Very low	27.6	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	78%	0.779	S	S	*	*			trans	171.4	92.1	174.1	0	0	0	0	0	114.1
466	E	25.4	Very low	27.6	Very low	165 Å²	165	136.7 Å²	136.7	77%	0.771	78%	0.776	S	S	*	*			trans	-83.3	126.9	-173.1	-98	-160.3	113.2	0	0	115.9
467	R	25	Very low	27.6	Very low	202 Å²	202	135 Å²	135	76%	0.762	78%	0.777	S	S	*	*				63.4	107.6	117.6	-149.4	-167.1	-167.1	160.6	1	121.2
468	S	25.2	Very low	27.7	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	78%	0.781	S	S	*	*			trans	64.1	140.4	136.8	73.7	0	0	0	0	122.6
469	I	25	Very low	27.6	Very low	172 Å²	172	132.9 Å²	132.9	88%	0.882	77%	0.774	S	S	*	*				-165.1	151.9	123.2	-101.2	160.5	0	0	0	108.5
470	S	24.8	Very low	27.6	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	78%	0.783	S	S	*	*			trans	-124.7	147.8	174.9	61.1	0	0	0	0	111.8
471	Q	24.2	Very low	27.3	Very low	204 Å²	204	132.8 Å²	132.8	95%	0.953	78%	0.784	S	S	*	*			trans	-157.9	157.4	157.1	-116.6	170.2	26.4	0	0	111.6
472	Q	24.3	Very low	27.2	Very low	138 Å²	138	128.9 Å²	128.9	65%	0.645	78%	0.777	S	S	*	*			trans	-123.3	165	-166.7	-147.1	-177.7	6.6	0	0	109.8	H474	Q472-H474 PolarHBondContact NE2-CE1 3.44Å; Q472-H474 PolarHBondContact NE2-NE2 2.67Å; Q472-H474 PolarHBondContact OE1-NE2 2.74Å
473	P	34.3	Very low	26.9	Very low	127 Å²	127	131 Å²	131	83%	0.825	78%	0.778	S	S	*	*				-147.6	179.6	96.2	35.9	-17.1	0	0	0	115.4
474	H	25.6	Very low	26.3	Very low	142 Å²	142	132.4 Å²	132.4	66%	0.657	78%	0.779	S	S	*	*			trans	-98.9	157.2	-171.7	-59.1	-102.9	0	0	0	115	Q472	Q472-H474 PolarHBondContact NE2-CE1 3.44Å; Q472-H474 PolarHBondContact NE2-NE2 2.67Å; Q472-H474 PolarHBondContact OE1-NE2 2.74Å
475	T	25	Very low	26.2	Very low	151 Å²	151	131.2 Å²	131.2	93%	0.926	77%	0.773	S	S	*	*				163.2	147.7	124.6	35.3	0	0	0	0	110.8
476	G	26.6	Very low	26.2	Very low	68 Å²	68	130.9 Å²	130.9	70%	0.701	76%	0.762	S	S	*	*			cis	170.9	138	-12.8	0	0	0	0	0	113.3
477	S	26.3	Very low	26.3	Very low	116 Å²	116	132 Å²	132	81%	0.811	77%	0.768	S	S	*	*			trans	67.6	137.5	178.9	-144	0	0	0	0	115.9
478	T	25.9	Very low	26.5	Very low	126 Å²	126	129.9 Å²	129.9	77%	0.773	77%	0.771	S	S	*	*			cis	-149.3	139.4	8.4	-31.6	0	0	0	0	106
479	G	28	Very low	26.7	Very low	64 Å²	64	132.6 Å²	132.6	66%	0.66	77%	0.773	S	S	*	*			cis	101.6	119.9	25.5	0	0	0	0	0	109.3
480	L	26.7	Very low	27.2	Very low	183 Å²	183	127.7 Å²	127.7	96%	0.958	77%	0.765	S	S	*	*			cis	-127.2	171.8	2.3	-74.9	58.5	0	0	0	108
481	G	24.4	Very low	27.4	Very low	67 Å²	67	129.5 Å²	129.5	69%	0.691	77%	0.765	S	S	*	*			cis	165.9	126.6	-0.7	0	0	0	0	0	106.7
482	S	25.5	Very low	27.6	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	76%	0.755	S	S	*	*				57.4	135	81.1	-136.4	0	0	0	0	113.2
483	E	23.5	Very low	28.4	Very low	175 Å²	175	128.1 Å²	128.1	82%	0.818	77%	0.767	S	S	*	*			cis	-121.4	155	17.1	-81.3	162.1	76.6	0	0	111.8
484	L	30.4	Very low	28.2	Very low	128 Å²	128	130.3 Å²	130.3	67%	0.67	77%	0.766	S	S	*	*				63.4	146.7	57.3	-50.8	-177.6	0	0	0	112.5
485	D	25	Very low	28.6	Very low	136 Å²	136	131.9 Å²	131.9	73%	0.727	78%	0.776	S	S	*	*			cis	-169	174.6	-12	-101.2	-10	0	0	0	107.5
486	A	29.4	Very low	29.3	Very low	72 Å²	72	133.5 Å²	133.5	60%	0.595	77%	0.773	S	S	*	*			cis	-169.5	-170.4	-26.6	0	0	0	0	0	108
487	E	26.8	Very low	29.9	Very low	189 Å²	189	137 Å²	137	88%	0.883	78%	0.776	S	S	*	*			trans	65.8	122.9	161.5	-56.9	176.4	171.9	0	0	116.5
488	D	30.5	Very low	31.4	Very low	157 Å²	157	136.8 Å²	136.8	84%	0.84	77%	0.769	S	S	*	*				88.1	174.5	60.3	-156.3	15.6	0	0	0	112.7
489	E	29	Very low	33.3	Very low	157 Å²	157	135.6 Å²	135.6	73%	0.734	76%	0.763	S	S	*	*			trans	76	134.7	-174.8	-71.8	-69.3	177.1	0	0	117.9
490	G	35.8	Very low	35.2	Very low	69 Å²	69	136.5 Å²	136.5	71%	0.711	76%	0.756	S	S	*	*			trans	-150.9	109	176.6	0	0	0	0	0	111.4
491	L	28.5	Very low	37.3	Very low	146 Å²	146	132.6 Å²	132.6	76%	0.764	74%	0.74	S	S	*	*			trans	-141.9	144.2	-173.6	-85.4	176.3	0	0	0	114.1
492	V	29.2	Very low	39.5	Very low	121 Å²	121	131.5 Å²	131.5	73%	0.733	73%	0.729	S	S	*	*			trans	67.1	127.7	151.5	175.9	0	0	0	0	119	E494	V492-E494 PolarHBondContact O-N 3.33Å
493	E	39.2	Very low	41.7	Very low	193 Å²	193	131.7 Å²	131.7	90%	0.902	72%	0.721	S	S	*	*			trans	-71	114.4	157.9	-65.9	-176.2	110	0	0	110.4	M495	E493-M495 PolarHBondContact O-N 2.97Å
494	E	31.9	Very low	44.1	Very low	172 Å²	172	127.9 Å²	127.9	80%	0.804	71%	0.705	S	S	*	*			trans	-75.5	107.5	165.9	-85.3	-157	116.2	0	0	110.8	V492 E496	V492-E494 PolarHBondContact O-N 3.33Å; E494-E496 PolarHBondContact O-N 3.47Å
495	M	33.8	Very low	46.4	Very low	176 Å²	176	128.6 Å²	128.6	87%	0.867	70%	0.703	S	S	*	*			trans	-64.1	123.8	163.6	-178.1	173	171.5	0	0	109.6	E493 N497	E493-M495 PolarHBondContact O-N 2.97Å; M495-N497 PolarHBondContact O-N 3.01Å
496	E	39.7	Very low	48.8	Very low	184 Å²	184	127.4 Å²	127.4	86%	0.86	70%	0.696	S	S	*	*			trans	-66.7	106.4	-165.1	-153.5	170	-145.6	0	0	112.4	E494 V498	E494-E496 PolarHBondContact O-N 3.47Å; E496-V498 PolarHBondContact O-N 3.46Å
497	N	39.1	Very low	51	Low	142 Å²	142	127.7 Å²	127.7	76%	0.759	69%	0.691	S	S	*	*			trans	-69.8	111.6	-175.3	-84.1	-69.6	0	0	0	112.1	M495	M495-N497 PolarHBondContact O-N 3.01Å
498	V	57.1	Low	53.4	Low	111 Å²	111	124.4 Å²	124.4	67%	0.673	68%	0.675	S	S	*	*			trans	-56.1	133.4	170.1	178	0	0	0	0	109.4	E496 V500	E496-V498 PolarHBondContact O-N 3.46Å; V498-V500 PolarHBondContact O-N 3.25Å
499	P	65.8	Low	55.4	Low	101 Å²	101	122.7 Å²	122.7	66%	0.656	67%	0.666	S	S	*	*			trans	-76.9	67.8	-174.4	31.3	-37	0	0	0	112.6	T501 G502 L503	P499-T501 PolarHBondContact O-N 3.43Å; P499-G502 PolarHBondContact O-N 3.17Å; P499-L503 PolarHBondContact O-N 2.96Å
500	V	67	Low	57.6	Low	83 Å²	83	120.2 Å²	120.2	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-53.2	-39.2	-179.1	177.9	0	0	0	0	111.6	V498 G502 L503 I504	V498-V500 PolarHBondContact O-N 3.25Å; V500-G502 VanDerWaalsContact C-N 3.3Å; V500-G502 PolarHBondContact O-N 3.28Å; V500-L503 WeakPolarHBondContact O-CB 3.41Å; V500-L503 PolarHBondContact O-N 2.93Å; V500-L503 VanDerWaalsContact O-N 3.1Å; V500-I504 HydrophobicContact CG1-CD1 3.85Å; V500-I504 HydrophobicContact CG1-CG1 4.29Å; V500-I504 WeakPolarHBondContact O-CG1 3.37Å; V500-I504 PolarHBondContact O-N 3.46Å
501	T	71.3	Confident	59.6	Low	101 Å²	101	124.4 Å²	124.4	62%	0.62	65%	0.652	S	S	*	*	H	α-helix	trans	-57.9	-39.8	175.8	-43.8	0	0	0	0	112.7	P499 I504 F505	P499-T501 PolarHBondContact O-N 3.43Å; T501-I504 PolarHBondContact O-N 3.48Å; T501-F505 HydrophobicContact CG2-CD2 4.36Å; T501-F505 WeakPolarHBondContact O-CD2 3.46Å; T501-F505 PolarHBondContact O-N 2.67Å
502	G	72.1	Confident	61.8	Low	44 Å²	44	122 Å²	122	45%	0.454	64%	0.639	S	S	.	*	H	α-helix	trans	-68.8	-36.8	176	0	0	0	0	0	112.3	P499 V500 F505 L506	P499-G502 PolarHBondContact O-N 3.17Å; V500-G502 VanDerWaalsContact C-N 3.3Å; V500-G502 PolarHBondContact O-N 3.28Å; G502-F505 PolarHBondContact O-N 3.07Å; G502-L506 WeakPolarHBondContact O-CB 3.41Å; G502-L506 PolarHBondContact O-N 3.29Å
503	L	69.8	Low	63.6	Low	109 Å²	109	121.5 Å²	121.5	57%	0.571	63%	0.625	S	S	*	*	H	α-helix	trans	-68.3	-37.8	175.5	-163.4	69.1	0	0	0	112	P499 V500 L506 T507	P499-L503 PolarHBondContact O-N 2.96Å; V500-L503 WeakPolarHBondContact O-CB 3.41Å; V500-L503 PolarHBondContact O-N 2.93Å; V500-L503 VanDerWaalsContact O-N 3.1Å; L503-L506 PolarHBondContact O-N 2.83Å; L503-T507 WeakPolarHBondContact O-CB 3.33Å; L503-T507 WeakPolarHBondContact O-CG2 3.31Å; L503-T507 PolarHBondContact O-N 3.16Å; L503-T507 PolarHBondContact O-OG1 2.93Å
504	I	75.7	Confident	65	Low	95 Å²	95	118.4 Å²	118.4	49%	0.487	61%	0.614	S	S	.	*	H	α-helix	trans	-63.5	-47.9	172.8	-68.8	169.1	0	0	0	110.6	V500 T501 L506 T507 Q508	V500-I504 HydrophobicContact CG1-CD1 3.85Å; V500-I504 HydrophobicContact CG1-CG1 4.29Å; V500-I504 WeakPolarHBondContact O-CG1 3.37Å; V500-I504 PolarHBondContact O-N 3.46Å; T501-I504 PolarHBondContact O-N 3.48Å; I504-L506 PolarHBondContact O-N 2.72Å; I504-T507 WeakPolarHBondContact CA-OG1 3.33Å; I504-T507 PolarHBondContact O-N 3.19Å; I504-T507 PolarHBondContact O-OG1 3.13Å; I504-T507 VanDerWaalsContact O-OG1 3.05Å; I504-Q508 VanDerWaalsContact O-CB 3.27Å; I504-Q508 WeakPolarHBondContact O-CB 3.38Å; I504-Q508 PolarHBondContact O-N 2.83Å
505	F	78.2	Confident	67.1	Low	142 Å²	142	114.2 Å²	114.2	62%	0.623	60%	0.6	S	S	*	*	H	α-helix	trans	-60.9	-42.1	175.5	-96.8	-82.1	0	0	0	112.6	T501 G502 Q508 L509	T501-F505 HydrophobicContact CG2-CD2 4.36Å; T501-F505 WeakPolarHBondContact O-CD2 3.46Å; T501-F505 PolarHBondContact O-N 2.67Å; G502-F505 PolarHBondContact O-N 3.07Å; F505-Q508 PolarHBondContact O-N 2.8Å; F505-L509 WeakPolarHBondContact O-CB 3.44Å; F505-L509 PolarHBondContact O-N 2.68Å
506	L	74.4	Confident	68.9	Low	111 Å²	111	110.3 Å²	110.3	58%	0.581	58%	0.582	S	S	*	*	H	α-helix	trans	-64	-45	178.3	-172.7	70.8	0	0	0	112	G502 L503 I504 L509 L510	G502-L506 WeakPolarHBondContact O-CB 3.41Å; G502-L506 PolarHBondContact O-N 3.29Å; L503-L506 PolarHBondContact O-N 2.83Å; I504-L506 PolarHBondContact O-N 2.72Å; L506-L509 PolarHBondContact O-N 3.4Å; L506-L510 WeakPolarHBondContact O-CB 3.34Å; L506-L510 PolarHBondContact O-N 2.94Å
507	T	76.8	Confident	69.9	Low	78 Å²	78	107.7 Å²	107.7	48%	0.479	58%	0.581	S	S	.	*	H	α-helix	trans	-69.2	-36	178.4	47.9	0	0	0	0	112.4	L503 I504 L510 Y511	L503-T507 WeakPolarHBondContact O-CB 3.33Å; L503-T507 WeakPolarHBondContact O-CG2 3.31Å; L503-T507 PolarHBondContact O-N 3.16Å; L503-T507 PolarHBondContact O-OG1 2.93Å; I504-T507 WeakPolarHBondContact CA-OG1 3.33Å; I504-T507 PolarHBondContact O-N 3.19Å; I504-T507 PolarHBondContact O-OG1 3.13Å; I504-T507 VanDerWaalsContact O-OG1 3.05Å; T507-L510 PolarHBondContact O-N 3.09Å; T507-Y511 WeakPolarHBondContact O-CB 3.37Å; T507-Y511 PolarHBondContact O-N 3.29Å
508	Q	76.5	Confident	71	Confident	121 Å²	121	102.8 Å²	102.8	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-67.8	-37.3	174.2	-166.1	172.5	25.4	0	0	112.1	I504 F505 L512	I504-Q508 VanDerWaalsContact O-CB 3.27Å; I504-Q508 WeakPolarHBondContact O-CB 3.38Å; I504-Q508 PolarHBondContact O-N 2.83Å; F505-Q508 PolarHBondContact O-N 2.8Å; Q508-L512 WeakPolarHBondContact O-CB 3.43Å; Q508-L512 PolarHBondContact O-N 2.81Å
509	L	72.8	Confident	71.9	Confident	121 Å²	121	101.4 Å²	101.4	63%	0.634	55%	0.55	S	S	*	.	H	α-helix	trans	-66.1	-42.7	173.5	-166.3	76.2	0	0	0	111.7	F505 L506 L512 Y513	F505-L509 WeakPolarHBondContact O-CB 3.44Å; F505-L509 PolarHBondContact O-N 2.68Å; L506-L509 PolarHBondContact O-N 3.4Å; L509-L512 PolarHBondContact O-N 3.34Å; L509-Y513 PolarHBondContact O-N 2.98Å
510	L	75.8	Confident	72	Confident	105 Å²	105	102 Å²	102	55%	0.55	55%	0.554	S	S	.	*	H	α-helix	trans	-64.5	-41.5	176.1	-174	66	0	0	0	111.8	L506 T507 Y513 L514	L506-L510 WeakPolarHBondContact O-CB 3.34Å; L506-L510 PolarHBondContact O-N 2.94Å; T507-L510 PolarHBondContact O-N 3.09Å; L510-Y513 PolarHBondContact O-N 3.05Å; L510-L514 HydrophobicContact CG-CD1 4.35Å; L510-L514 WeakPolarHBondContact O-CG 3.45Å; L510-L514 PolarHBondContact O-N 3.35Å
511	Y	77.5	Confident	72.1	Confident	157 Å²	157	102.5 Å²	102.5	62%	0.616	56%	0.56	S	S	*	*	H	α-helix	trans	-61.5	-44.7	173.8	-178.8	-100.8	0	0	0	111.7	T507 Y513 L514 V515	T507-Y511 WeakPolarHBondContact O-CB 3.37Å; T507-Y511 PolarHBondContact O-N 3.29Å; Y511-Y513 VanDerWaalsContact C-N 3.32Å; Y511-Y513 PolarHBondContact O-N 2.68Å; Y511-L514 PolarHBondContact O-N 3.19Å; Y511-L514 VanDerWaalsContact O-N 3.14Å; Y511-V515 HydrophobicContact CD1-CG2 4.25Å; Y511-V515 HydrophobicContact CD2-CG2 4.25Å; Y511-V515 HydrophobicContact CE1-CG2 3.9Å; Y511-V515 HydrophobicContact CE2-CG2 3.9Å; Y511-V515 HydrophobicContact CG-CG2 4.42Å; Y511-V515 WeakPolarHBondContact O-CG2 3.3Å; Y511-V515 PolarHBondContact O-N 3Å
512	L	73.4	Confident	72.3	Confident	94 Å²	94	101.1 Å²	101.1	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-37	177.6	-172.8	60.9	0	0	0	112.4	Q508 L509 L516	Q508-L512 WeakPolarHBondContact O-CB 3.43Å; Q508-L512 PolarHBondContact O-N 2.81Å; L509-L512 PolarHBondContact O-N 3.34Å; L512-L516 HydrophobicContact CD1-CD1 3.78Å; L512-L516 HydrophobicContact CD1-CG 4.15Å; L512-L516 HydrophobicContact CG-CD1 3.91Å; L512-L516 PolarHBondContact O-N 2.95Å
513	Y	67.3	Low	72.2	Confident	112 Å²	112	100.2 Å²	100.2	44%	0.439	54%	0.537	S	S	.	.	H	α-helix	trans	-65.8	-35	172.9	176.6	-99.8	0	0	0	113.1	L509 L510 Y511 H527	L509-Y513 PolarHBondContact O-N 2.98Å; L510-Y513 PolarHBondContact O-N 3.05Å; Y511-Y513 VanDerWaalsContact C-N 3.32Å; Y511-Y513 PolarHBondContact O-N 2.68Å; Y513-H527 PolarHBondContact OH-CE1 3Å
514	L	69.5	Low	72.5	Confident	128 Å²	128	98.4 Å²	98.4	67%	0.67	53%	0.534	S	S	*	.	H	α-helix	trans	-78.7	-26.9	178.5	-70.6	168.7	0	0	0	113.7	L510 Y511	L510-L514 HydrophobicContact CG-CD1 4.35Å; L510-L514 WeakPolarHBondContact O-CG 3.45Å; L510-L514 PolarHBondContact O-N 3.35Å; Y511-L514 PolarHBondContact O-N 3.19Å; Y511-L514 VanDerWaalsContact O-N 3.14Å
515	V	75.2	Confident	72.8	Confident	84 Å²	84	97.9 Å²	97.9	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-91.3	-27.8	-176.1	172.2	0	0	0	0	113	Y511 P517	Y511-V515 HydrophobicContact CD1-CG2 4.25Å; Y511-V515 HydrophobicContact CD2-CG2 4.25Å; Y511-V515 HydrophobicContact CE1-CG2 3.9Å; Y511-V515 HydrophobicContact CE2-CG2 3.9Å; Y511-V515 HydrophobicContact CG-CG2 4.42Å; Y511-V515 WeakPolarHBondContact O-CG2 3.3Å; Y511-V515 PolarHBondContact O-N 3Å; V515-P517 WeakPolarHBondContact O-CD 3.4Å
516	L	71.9	Confident	72.9	Confident	93 Å²	93	95.1 Å²	95.1	49%	0.487	53%	0.526	S	S	.	.	S	Bend	trans	-81.6	122	176.4	-74.5	168.3	0	0	0	111.2	L512 V518	L512-L516 HydrophobicContact CD1-CD1 3.78Å; L512-L516 HydrophobicContact CD1-CG 4.15Å; L512-L516 HydrophobicContact CG-CD1 3.91Å; L512-L516 PolarHBondContact O-N 2.95Å; L516-V518 HydrophobicContact CB-CG2 3.71Å; L516-V518 PolarHBondContact O-N 2.97Å
517	P	60.3	Low	73	Confident	129 Å²	129	94.6 Å²	94.6	84%	0.838	52%	0.521	S	S	*	.			trans	-76.8	67	173.1	33.2	-35.6	0	0	0	110.5	V515	V515-P517 WeakPolarHBondContact O-CD 3.4Å
518	V	62.8	Low	73.4	Confident	40 Å²	40	93.1 Å²	93.1	24%	0.242	52%	0.52	C	S	.	.			trans	-68.3	128.1	-177.7	-179.8	0	0	0	0	109.7	L516 V522 C523	L516-V518 HydrophobicContact CB-CG2 3.71Å; L516-V518 PolarHBondContact O-N 2.97Å; V518-V522 HydrophobicContact CG1-CB 3.61Å; V518-V522 HydrophobicContact CG1-CG1 3.63Å; V518-C523 VanDerWaalsContact CB-SG 3.59Å; V518-C523 WeakPolarHBondContact CG1-SG 3.47Å
519	P	75.5	Confident	73.8	Confident	82 Å²	82	92.4 Å²	92.4	53%	0.532	52%	0.52	S	S	.	.			trans	-57.3	140.6	178.3	-27.1	35.5	0	0	0	112	C521 V522 C523	P519-C521 PolarHBondContact O-N 3.41Å; P519-V522 PolarHBondContact O-N 2.94Å; P519-C523 PolarHBondContact O-N 3.03Å; P519-C523 VanDerWaalsContact O-N 3.15Å
520	P	67.7	Low	74.2	Confident	113 Å²	113	91 Å²	91	73%	0.734	52%	0.516	S	S	*	.	H	α-helix	trans	-54.9	-29.8	-172.7	-30.1	35.6	0	0	0	115.3	C523 S524	P520-C523 PolarHBondContact O-N 3.33Å; P520-S524 PolarHBondContact O-N 3.38Å; P520-S524 PolarHBondContact O-OG 2.94Å
521	C	70.7	Confident	74.5	Confident	94 Å²	94	90.7 Å²	90.7	64%	0.635	52%	0.518	S	S	*	.	H	α-helix	trans	-68.9	-31.9	175.9	-172.8	0	0	0	0	113.3	P519 S524 V525	P519-C521 PolarHBondContact O-N 3.41Å; C521-S524 PolarHBondContact O-OG 3.46Å; C521-S524 VanDerWaalsContact O-OG 3.09Å; C521-V525 VanDerWaalsContact O-CG2 3.31Å; C521-V525 WeakPolarHBondContact O-CG2 3.4Å; C521-V525 PolarHBondContact O-N 2.83Å
522	V	74.1	Confident	75	Confident	72 Å²	72	85 Å²	85	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-78.2	-37.3	173.6	180	0	0	0	0	110.1	V518 P519 S524 V525 L526	V518-V522 HydrophobicContact CG1-CB 3.61Å; V518-V522 HydrophobicContact CG1-CG1 3.63Å; P519-V522 PolarHBondContact O-N 2.94Å; V522-S524 PolarHBondContact O-N 3.16Å; V522-V525 PolarHBondContact O-N 3.24Å; V522-L526 HydrophobicContact CG1-CD1 4.23Å; V522-L526 WeakPolarHBondContact O-CG 3.29Å; V522-L526 PolarHBondContact O-N 3.4Å
523	C	70	Confident	75.6	Confident	24 Å²	24	86.8 Å²	86.8	16%	0.162	51%	0.511	C	S	.	.	H	α-helix	trans	-58.9	-44.6	171.7	-67.6	0	0	0	0	112.3	V518 P519 P520 L526 H527	V518-C523 VanDerWaalsContact CB-SG 3.59Å; V518-C523 WeakPolarHBondContact CG1-SG 3.47Å; P519-C523 PolarHBondContact O-N 3.03Å; P519-C523 VanDerWaalsContact O-N 3.15Å; P520-C523 PolarHBondContact O-N 3.33Å; C523-L526 PolarHBondContact O-N 3.29Å; C523-H527 PolarHBondContact O-N 2.89Å; C523-H527 PolarHBondContact O-ND1 2.83Å
524	S	76.3	Confident	76.2	Confident	72 Å²	72	87.2 Å²	87.2	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-69.5	-34.4	179.4	63	0	0	0	0	112.9	P520 C521 V522 H527 G528	P520-S524 PolarHBondContact O-N 3.38Å; P520-S524 PolarHBondContact O-OG 2.94Å; C521-S524 PolarHBondContact O-OG 3.46Å; C521-S524 VanDerWaalsContact O-OG 3.09Å; V522-S524 PolarHBondContact O-N 3.16Å; S524-H527 PolarHBondContact O-N 3.22Å; S524-G528 PolarHBondContact O-N 2.84Å
525	V	82.7	Confident	77	Confident	83 Å²	83	85.9 Å²	85.9	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-45.6	170.2	167.6	0	0	0	0	111.2	C521 V522 H527 G528 I529	C521-V525 VanDerWaalsContact O-CG2 3.31Å; C521-V525 WeakPolarHBondContact O-CG2 3.4Å; C521-V525 PolarHBondContact O-N 2.83Å; V522-V525 PolarHBondContact O-N 3.24Å; V525-H527 PolarHBondContact O-N 2.79Å; V525-G528 PolarHBondContact O-N 3.41Å; V525-I529 HydrophobicContact CG1-CD1 3.86Å; V525-I529 WeakPolarHBondContact O-CG1 3.28Å; V525-I529 PolarHBondContact O-N 2.86Å
526	L	79.3	Confident	77.2	Confident	84 Å²	84	84.5 Å²	84.5	44%	0.44	51%	0.509	S	S	.	.	H	α-helix	trans	-61.8	-43.4	176.5	-73.1	167.3	0	0	0	112.1	V522 C523 G528 I529 V530	V522-L526 HydrophobicContact CG1-CD1 4.23Å; V522-L526 WeakPolarHBondContact O-CG 3.29Å; V522-L526 PolarHBondContact O-N 3.4Å; C523-L526 PolarHBondContact O-N 3.29Å; L526-G528 PolarHBondContact O-N 3.43Å; L526-I529 PolarHBondContact O-N 2.86Å; L526-V530 WeakPolarHBondContact O-CG2 3.22Å; L526-V530 PolarHBondContact O-N 2.94Å
527	H	76.9	Confident	77.6	Confident	101 Å²	101	83.8 Å²	83.8	47%	0.468	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-39.4	174.3	-76	71.7	0	0	0	111.9	Y513 C523 S524 V525 I529 V530 V531	Y513-H527 PolarHBondContact OH-CE1 3Å; C523-H527 PolarHBondContact O-N 2.89Å; C523-H527 PolarHBondContact O-ND1 2.83Å; S524-H527 PolarHBondContact O-N 3.22Å; V525-H527 PolarHBondContact O-N 2.79Å; H527-I529 VanDerWaalsContact C-N 3.35Å; H527-I529 PolarHBondContact O-N 2.87Å; H527-V530 PolarHBondContact O-N 2.88Å; H527-V531 WeakPolarHBondContact O-CB 3.34Å; H527-V531 WeakPolarHBondContact O-CG2 3.48Å; H527-V531 PolarHBondContact O-N 3.22Å
528	G	84.4	Confident	78.4	Confident	46 Å²	46	81.9 Å²	81.9	47%	0.474	49%	0.488	S	S	.	.	H	α-helix	trans	-61.6	-40.1	174.3	0	0	0	0	0	112.9	S524 V525 L526 G532	S524-G528 PolarHBondContact O-N 2.84Å; V525-G528 PolarHBondContact O-N 3.41Å; L526-G528 PolarHBondContact O-N 3.43Å; G528-G532 PolarHBondContact O-N 2.87Å
529	I	85.7	Confident	79.2	Confident	107 Å²	107	83.7 Å²	83.7	55%	0.549	50%	0.499	S	S	.	.	H	α-helix	trans	-65.9	-45.4	174.5	-68.1	163.8	0	0	0	110.8	V525 L526 H527 G532 F533	V525-I529 HydrophobicContact CG1-CD1 3.86Å; V525-I529 WeakPolarHBondContact O-CG1 3.28Å; V525-I529 PolarHBondContact O-N 2.86Å; L526-I529 PolarHBondContact O-N 2.86Å; H527-I529 VanDerWaalsContact C-N 3.35Å; H527-I529 PolarHBondContact O-N 2.87Å; I529-G532 PolarHBondContact O-N 2.8Å; I529-F533 VanDerWaalsContact O-CB 3.27Å; I529-F533 WeakPolarHBondContact O-CB 3.43Å; I529-F533 PolarHBondContact O-N 2.85Å
530	V	80.4	Confident	79.5	Confident	91 Å²	91	85.1 Å²	85.1	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-64.6	-46.4	178.4	171.6	0	0	0	0	111.6	L526 H527 F533 M534	L526-V530 WeakPolarHBondContact O-CG2 3.22Å; L526-V530 PolarHBondContact O-N 2.94Å; H527-V530 PolarHBondContact O-N 2.88Å; V530-F533 PolarHBondContact O-N 3.47Å; V530-M534 HydrophobicContact CG1-CG 4.47Å; V530-M534 WeakPolarHBondContact O-CB 3.26Å; V530-M534 VanDerWaalsContact O-CG 3.28Å; V530-M534 WeakPolarHBondContact O-CG 3.14Å; V530-M534 PolarHBondContact O-N 2.83Å
531	V	82.7	Confident	79.8	Confident	99 Å²	99	88.2 Å²	88.2	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-65.2	-41	176.9	171.9	0	0	0	0	111	H527 M534 L535	H527-V531 WeakPolarHBondContact O-CB 3.34Å; H527-V531 WeakPolarHBondContact O-CG2 3.48Å; H527-V531 PolarHBondContact O-N 3.22Å; V531-M534 PolarHBondContact O-N 2.7Å; V531-L535 VanDerWaalsContact O-CB 3.31Å; V531-L535 WeakPolarHBondContact O-CB 3.27Å; V531-L535 PolarHBondContact O-N 3.18Å
532	G	87.4	Confident	79.9	Confident	38 Å²	38	89.4 Å²	89.4	39%	0.392	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-40.2	174.5	0	0	0	0	0	112.8	G528 I529 L535 A536	G528-G532 PolarHBondContact O-N 2.87Å; I529-G532 PolarHBondContact O-N 2.8Å; G532-L535 PolarHBondContact O-N 2.82Å; G532-A536 VanDerWaalsContact O-CB 3.3Å; G532-A536 WeakPolarHBondContact O-CB 3.44Å; G532-A536 PolarHBondContact O-N 2.96Å
533	F	86.3	Confident	79.6	Confident	131 Å²	131	90 Å²	90	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-68.8	-42.6	175.4	-175	-106.8	0	0	0	112.1	I529 V530 L535 A536 L537	I529-F533 VanDerWaalsContact O-CB 3.27Å; I529-F533 WeakPolarHBondContact O-CB 3.43Å; I529-F533 PolarHBondContact O-N 2.85Å; V530-F533 PolarHBondContact O-N 3.47Å; F533-L535 VanDerWaalsContact C-N 3.33Å; F533-L535 PolarHBondContact O-N 2.87Å; F533-A536 PolarHBondContact O-N 3.04Å; F533-L537 HydrophobicContact CD1-CD1 3.92Å; F533-L537 HydrophobicContact CD1-CG 4.32Å; F533-L537 HydrophobicContact CE1-CD1 3.52Å; F533-L537 HydrophobicContact CE1-CG 4.04Å; F533-L537 HydrophobicContact CZ-CD1 4.08Å; F533-L537 HydrophobicContact CZ-CD2 4.29Å; F533-L537 HydrophobicContact CZ-CG 4.2Å; F533-L537 WeakPolarHBondContact O-CB 3.38Å; F533-L537 WeakPolarHBondContact O-CG 3.46Å; F533-L537 PolarHBondContact O-N 2.89Å
534	M	81.1	Confident	79	Confident	121 Å²	121	91.1 Å²	91.1	60%	0.596	52%	0.516	S	S	*	.	H	α-helix	trans	-64.5	-37	174.6	-70.1	-64.6	-72.5	0	0	112.1	V530 V531 L537 L538	V530-M534 HydrophobicContact CG1-CG 4.47Å; V530-M534 WeakPolarHBondContact O-CB 3.26Å; V530-M534 VanDerWaalsContact O-CG 3.28Å; V530-M534 WeakPolarHBondContact O-CG 3.14Å; V530-M534 PolarHBondContact O-N 2.83Å; V531-M534 PolarHBondContact O-N 2.7Å; M534-L537 PolarHBondContact O-N 3.29Å; M534-L537 HydrophobicContact SD-CD1 4.33Å; M534-L538 WeakPolarHBondContact O-CB 3.46Å; M534-L538 PolarHBondContact O-N 2.83Å
535	L	85.5	Confident	77.6	Confident	100 Å²	100	92.7 Å²	92.7	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-69.3	-38.8	172.9	-176.2	61.3	0	0	0	111.7	V531 G532 F533 L538 V539	V531-L535 VanDerWaalsContact O-CB 3.31Å; V531-L535 WeakPolarHBondContact O-CB 3.27Å; V531-L535 PolarHBondContact O-N 3.18Å; G532-L535 PolarHBondContact O-N 2.82Å; F533-L535 VanDerWaalsContact C-N 3.33Å; F533-L535 PolarHBondContact O-N 2.87Å; L535-L538 HydrophobicContact CD1-CD2 4.42Å; L535-L538 PolarHBondContact O-N 2.86Å; L535-V539 WeakPolarHBondContact O-CB 3.27Å; L535-V539 WeakPolarHBondContact O-CG2 3.23Å; L535-V539 PolarHBondContact O-N 2.93Å
536	A	80.8	Confident	75.9	Confident	55 Å²	55	99.5 Å²	99.5	46%	0.455	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-39.2	173.7	0	0	0	0	0	111.9	G532 F533 V539 L540	G532-A536 VanDerWaalsContact O-CB 3.3Å; G532-A536 WeakPolarHBondContact O-CB 3.44Å; G532-A536 PolarHBondContact O-N 2.96Å; F533-A536 PolarHBondContact O-N 3.04Å; A536-V539 PolarHBondContact O-N 3.16Å; A536-L540 WeakPolarHBondContact O-CB 3.34Å; A536-L540 PolarHBondContact O-N 3.5Å
537	L	78.8	Confident	73.9	Confident	77 Å²	77	100.4 Å²	100.4	40%	0.403	55%	0.554	S	S	.	*	H	α-helix	trans	-65	-40.1	171.6	-74.4	179.9	0	0	0	111.9	F533 M534 L540 W541	F533-L537 HydrophobicContact CD1-CD1 3.92Å; F533-L537 HydrophobicContact CD1-CG 4.32Å; F533-L537 HydrophobicContact CE1-CD1 3.52Å; F533-L537 HydrophobicContact CE1-CG 4.04Å; F533-L537 HydrophobicContact CZ-CD1 4.08Å; F533-L537 HydrophobicContact CZ-CD2 4.29Å; F533-L537 HydrophobicContact CZ-CG 4.2Å; F533-L537 WeakPolarHBondContact O-CB 3.38Å; F533-L537 WeakPolarHBondContact O-CG 3.46Å; F533-L537 PolarHBondContact O-N 2.89Å; M534-L537 PolarHBondContact O-N 3.29Å; M534-L537 HydrophobicContact SD-CD1 4.33Å; L537-L540 PolarHBondContact O-N 2.73Å; L537-W541 VanDerWaalsContact O-CB 3.24Å; L537-W541 WeakPolarHBondContact O-CB 3.3Å; L537-W541 PolarHBondContact O-N 3.46Å
538	L	77.6	Confident	72.1	Confident	89 Å²	89	100.6 Å²	100.6	47%	0.466	57%	0.566	S	S	.	*	H	α-helix	trans	-64.6	-46.3	175.2	179.8	62.7	0	0	0	111.4	M534 L535 L540 W541 L542	M534-L538 WeakPolarHBondContact O-CB 3.46Å; M534-L538 PolarHBondContact O-N 2.83Å; L535-L538 HydrophobicContact CD1-CD2 4.42Å; L535-L538 PolarHBondContact O-N 2.86Å; L538-L540 VanDerWaalsContact C-N 3.33Å; L538-L540 PolarHBondContact O-N 2.94Å; L538-W541 PolarHBondContact O-N 2.81Å; L538-L542 HydrophobicContact CD1-CD1 4.12Å; L538-L542 HydrophobicContact CD1-CG 4.35Å; L538-L542 HydrophobicContact CG-CD1 4.04Å; L538-L542 WeakPolarHBondContact O-CB 3.49Å; L538-L542 VanDerWaalsContact O-CG 3.26Å; L538-L542 WeakPolarHBondContact O-CG 3.48Å; L538-L542 PolarHBondContact O-N 2.89Å
539	V	80.5	Confident	70	Confident	78 Å²	78	103.9 Å²	103.9	47%	0.473	58%	0.582	S	S	.	*	H	α-helix	trans	-62.8	-40.6	174.9	170.4	0	0	0	0	110.8	L535 A536 L542 S543	L535-V539 WeakPolarHBondContact O-CB 3.27Å; L535-V539 WeakPolarHBondContact O-CG2 3.23Å; L535-V539 PolarHBondContact O-N 2.93Å; A536-V539 PolarHBondContact O-N 3.16Å; V539-L542 PolarHBondContact O-N 3.33Å; V539-S543 WeakPolarHBondContact O-CB 3.13Å; V539-S543 PolarHBondContact O-N 2.87Å; V539-S543 PolarHBondContact O-OG 3.39Å
540	L	81.2	Confident	67.8	Low	112 Å²	112	101.9 Å²	101.9	59%	0.586	58%	0.577	S	S	*	*	H	α-helix	trans	-66.7	-36.4	175.5	-174.5	63.7	0	0	0	112	A536 L537 L538 A544	A536-L540 WeakPolarHBondContact O-CB 3.34Å; A536-L540 PolarHBondContact O-N 3.5Å; L537-L540 PolarHBondContact O-N 2.73Å; L538-L540 VanDerWaalsContact C-N 3.33Å; L538-L540 PolarHBondContact O-N 2.94Å; L540-A544 WeakPolarHBondContact O-CA 3.39Å; L540-A544 WeakPolarHBondContact O-CB 3.26Å; L540-A544 PolarHBondContact O-N 2.76Å
541	W	73.6	Confident	66.5	Low	178 Å²	178	99.9 Å²	99.9	67%	0.674	58%	0.575	S	S	*	*	H	α-helix	trans	-71.7	-31.6	176.2	-172.9	87.4	0	0	0	112.8	L537 L538	L537-W541 VanDerWaalsContact O-CB 3.24Å; L537-W541 WeakPolarHBondContact O-CB 3.3Å; L537-W541 PolarHBondContact O-N 3.46Å; L538-W541 PolarHBondContact O-N 2.81Å
542	L	73.1	Confident	64.9	Low	120 Å²	120	101.2 Å²	101.2	63%	0.628	58%	0.584	S	S	*	*	H	α-helix	trans	-80.7	-30.3	173.8	-68.2	170.2	0	0	0	113.1	L538 V539	L538-L542 HydrophobicContact CD1-CD1 4.12Å; L538-L542 HydrophobicContact CD1-CG 4.35Å; L538-L542 HydrophobicContact CG-CD1 4.04Å; L538-L542 WeakPolarHBondContact O-CB 3.49Å; L538-L542 VanDerWaalsContact O-CG 3.26Å; L538-L542 WeakPolarHBondContact O-CG 3.48Å; L538-L542 PolarHBondContact O-N 2.89Å; V539-L542 PolarHBondContact O-N 3.33Å
543	S	67.1	Low	62.7	Low	85 Å²	85	109.1 Å²	109.1	59%	0.594	60%	0.602	S	S	*	*	H	α-helix	trans	-96.7	-18.8	-177.2	-49.5	0	0	0	0	113.6	V539 P545	V539-S543 WeakPolarHBondContact O-CB 3.13Å; V539-S543 PolarHBondContact O-N 2.87Å; V539-S543 PolarHBondContact O-OG 3.39Å; S543-P545 WeakPolarHBondContact O-CD 3.08Å
544	A	57.1	Low	60.8	Low	47 Å²	47	105.2 Å²	105.2	39%	0.388	59%	0.588	S	S	.	*	S	Bend	trans	-62.1	127.7	167.2	0	0	0	0	0	108.6	L540 R546	L540-A544 WeakPolarHBondContact O-CA 3.39Å; L540-A544 WeakPolarHBondContact O-CB 3.26Å; L540-A544 PolarHBondContact O-N 2.76Å; A544-R546 PolarHBondContact O-N 3.19Å
545	P	47.3	Very low	58.9	Low	104 Å²	104	109.7 Å²	109.7	68%	0.675	60%	0.599	S	S	*	*			trans	-52.5	141.2	161.4	-21.1	32.6	0	0	0	108.4	S543 C547	S543-P545 WeakPolarHBondContact O-CD 3.08Å; P545-C547 PolarHBondContact O-N 2.81Å
546	R	48	Very low	56.4	Low	227 Å²	227	114.4 Å²	114.4	86%	0.857	61%	0.61	S	S	*	*			trans	-71.6	61.2	173.3	-71.6	-174.9	175.9	180	-1.2	111.2	A544 S548	A544-R546 PolarHBondContact O-N 3.19Å; R546-S548 PolarHBondContact O-N 2.87Å; R546-S548 VanDerWaalsContact O-N 3.09Å
547	C	36.1	Very low	54.2	Low	103 Å²	103	119.9 Å²	119.9	70%	0.696	62%	0.619	S	S	*	*			trans	-61.5	108.8	164.6	-74.2	0	0	0	0	107.8	P545 S549	P545-C547 PolarHBondContact O-N 2.81Å; C547-S549 PolarHBondContact O-N 3.28Å
548	S	38.9	Very low	52	Low	104 Å²	104	125.2 Å²	125.2	73%	0.727	63%	0.633	S	S	*	*			trans	-59.1	101.2	175.5	-176.7	0	0	0	0	110	R546	R546-S548 PolarHBondContact O-N 2.87Å; R546-S548 VanDerWaalsContact O-N 3.09Å
549	S	40.4	Very low	50.1	Low	115 Å²	115	128.7 Å²	128.7	80%	0.804	65%	0.645	S	S	*	*			trans	-97.2	15.7	-179.3	55.6	0	0	0	0	113.3	C547 G551	C547-S549 PolarHBondContact O-N 3.28Å; S549-G551 PolarHBondContact O-N 2.97Å
550	S	39.4	Very low	48.2	Very low	66 Å²	66	128.9 Å²	128.9	46%	0.462	64%	0.643	S	S	.	*			trans	-70.1	72.1	146.9	-173	0	0	0	0	107.7	T554	S550-T554 WeakPolarHBondContact O-CB 3.36Å; S550-T554 WeakPolarHBondContact O-CG2 3.36Å; S550-T554 PolarHBondContact O-OG1 3.29Å
551	G	53.7	Low	46.3	Very low	49 Å²	49	128.9 Å²	128.9	51%	0.505	64%	0.64	S	S	.	*			trans	-94.4	-11.1	-169.4	0	0	0	0	0	114.9	S549	S549-G551 PolarHBondContact O-N 2.97Å
552	T	48.3	Very low	44.6	Very low	127 Å²	127	131 Å²	131	78%	0.779	65%	0.648	S	S	*	*	S	Bend	trans	-116.6	-43.4	-173.9	47.1	0	0	0	0	112.8	T554 R555	T552-T554 VanDerWaalsContact C-N 3.25Å; T552-T554 PolarHBondContact O-N 3.47Å; T552-R555 PolarHBondContact O-N 2.81Å
553	R	43.1	Very low	42.9	Very low	204 Å²	204	131.1 Å²	131.1	77%	0.77	65%	0.649	S	S	*	*	H	α-helix	trans	-64.2	-30.2	168.7	-71.6	-170.8	179.4	-178.4	1.9	112	R555 W557	R553-R555 VanDerWaalsContact C-N 3.33Å; R553-R555 PolarHBondContact O-N 3.14Å; R553-W557 PolarHBondContact O-N 3.49Å
554	T	46.3	Very low	42	Very low	48 Å²	48	131.7 Å²	131.7	29%	0.294	65%	0.649	S	S	.	*	H	α-helix	trans	-70.9	-15.7	176.8	53.4	0	0	0	0	115.2	S550 T552 R558	S550-T554 WeakPolarHBondContact O-CB 3.36Å; S550-T554 WeakPolarHBondContact O-CG2 3.36Å; S550-T554 PolarHBondContact O-OG1 3.29Å; T552-T554 VanDerWaalsContact C-N 3.25Å; T552-T554 PolarHBondContact O-N 3.47Å; T554-R558 VanDerWaalsContact O-CB 3.23Å; T554-R558 WeakPolarHBondContact O-CB 3.07Å; T554-R558 PolarHBondContact O-N 2.75Å
555	R	40.4	Very low	41.6	Very low	215 Å²	215	134.5 Å²	134.5	81%	0.811	66%	0.663	S	S	*	*	H	α-helix	trans	-75	-32.5	176.8	-165.2	176.6	-178.5	-137.3	1.1	112.4	T552 R553	T552-R555 PolarHBondContact O-N 2.81Å; R553-R555 VanDerWaalsContact C-N 3.33Å; R553-R555 PolarHBondContact O-N 3.14Å
556	R	33.7	Very low	41.6	Very low	200 Å²	200	138 Å²	138	76%	0.755	67%	0.67	S	S	*	*	H	α-helix	trans	-70.3	-53.6	169.2	-164.9	175	-75.4	-153.9	0	109.3	R558 K559 D560	R556-R558 VanDerWaalsContact C-N 3.29Å; R556-R558 PolarHBondContact O-N 2.95Å; R556-R558 VanDerWaalsContact O-N 3.12Å; R556-K559 WeakPolarHBondContact O-CA 3.45Å; R556-K559 WeakPolarHBondContact O-CB 3.23Å; R556-K559 PolarHBondContact O-N 2.82Å; R556-D560 PolarHBondContact O-N 2.85Å; R556-D560 VanDerWaalsContact O-OD2 3.12Å
557	W	32.9	Very low	42.2	Very low	170 Å²	170	132.9 Å²	132.9	64%	0.644	66%	0.66	S	S	*	*	H	α-helix	trans	-55.2	-31.1	175.4	-97.9	72.7	0	0	0	115.4	R553 K559 Q561	R553-W557 PolarHBondContact O-N 3.49Å; W557-K559 VanDerWaalsContact C-N 3.34Å; W557-Q561 HydrophobicContact CE3-CG 4.16Å; W557-Q561 WeakPolarHBondContact O-CB 3.35Å; W557-Q561 WeakPolarHBondContact O-CG 3.49Å; W557-Q561 PolarHBondContact O-N 3.4Å
558	R	34	Very low	43.1	Very low	189 Å²	189	134.7 Å²	134.7	71%	0.713	66%	0.662	S	S	*	*	H	α-helix	trans	-81.6	-11	175.5	-153.2	-153.2	-58.5	-109.9	3.4	113.4	T554 R556	T554-R558 VanDerWaalsContact O-CB 3.23Å; T554-R558 WeakPolarHBondContact O-CB 3.07Å; T554-R558 PolarHBondContact O-N 2.75Å; R556-R558 VanDerWaalsContact C-N 3.29Å; R556-R558 PolarHBondContact O-N 2.95Å; R556-R558 VanDerWaalsContact O-N 3.12Å
559	K	37.4	Very low	44.7	Very low	162 Å²	162	132.1 Å²	132.1	70%	0.704	64%	0.642	S	S	*	*	H	α-helix	trans	-84.8	-43.2	165.9	-153.8	-179.1	-178.4	-168.8	0	109.3	R556 W557 R562	R556-K559 WeakPolarHBondContact O-CA 3.45Å; R556-K559 WeakPolarHBondContact O-CB 3.23Å; R556-K559 PolarHBondContact O-N 2.82Å; W557-K559 VanDerWaalsContact C-N 3.34Å; K559-R562 WeakPolarHBondContact O-CB 3.3Å; K559-R562 PolarHBondContact O-N 3.43Å; K559-R562 VanDerWaalsContact O-N 3.14Å
560	D	41.2	Very low	46	Very low	82 Å²	82	135.2 Å²	135.2	44%	0.439	64%	0.641	S	S	.	*	H	α-helix	trans	-71.5	-33.2	177.9	-54.6	-41.5	0	0	0	113.1	R556 R562 N563 V564	R556-D560 PolarHBondContact O-N 2.85Å; R556-D560 VanDerWaalsContact O-OD2 3.12Å; D560-R562 PolarHBondContact O-N 2.85Å; D560-N563 CarbonylContact O-C 3.54Å; D560-N563 VanDerWaalsContact O-C 3.26Å; D560-N563 VanDerWaalsContact O-CA 3.27Å; D560-N563 WeakPolarHBondContact O-CA 3.21Å; D560-N563 WeakPolarHBondContact O-CB 3.32Å; D560-N563 PolarHBondContact O-N 2.83Å; D560-V564 PolarHBondContact O-N 3.39Å
561	Q	41.5	Very low	47.4	Very low	111 Å²	111	136.7 Å²	136.7	52%	0.519	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-66.8	-16.8	170.4	-81	178.4	-15.2	0	0	113.3	W557 V564	W557-Q561 HydrophobicContact CE3-CG 4.16Å; W557-Q561 WeakPolarHBondContact O-CB 3.35Å; W557-Q561 WeakPolarHBondContact O-CG 3.49Å; W557-Q561 PolarHBondContact O-N 3.4Å; Q561-V564 WeakPolarHBondContact O-CG2 3.09Å; Q561-V564 PolarHBondContact O-N 2.81Å
562	R	36.7	Very low	48.4	Very low	224 Å²	224	136.6 Å²	136.6	85%	0.845	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-79.4	-12.6	168.5	-161.1	172.3	-178	175.6	0.1	112	K559 D560	K559-R562 WeakPolarHBondContact O-CB 3.3Å; K559-R562 PolarHBondContact O-N 3.43Å; K559-R562 VanDerWaalsContact O-N 3.14Å; D560-R562 PolarHBondContact O-N 2.85Å
563	N	36.9	Very low	49.7	Very low	122 Å²	122	133.5 Å²	133.5	65%	0.652	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-105.3	23.4	170.7	-54.6	-15.8	0	0	0	111.3	D560 P565	D560-N563 CarbonylContact O-C 3.54Å; D560-N563 VanDerWaalsContact O-C 3.26Å; D560-N563 VanDerWaalsContact O-CA 3.27Å; D560-N563 WeakPolarHBondContact O-CA 3.21Å; D560-N563 WeakPolarHBondContact O-CB 3.32Å; D560-N563 PolarHBondContact O-N 2.83Å; N563-P565 WeakPolarHBondContact O-CD 3.47Å
564	V	48.4	Very low	51.7	Low	97 Å²	97	127 Å²	127	59%	0.588	60%	0.604	S	S	*	*	S	Bend	trans	-57.5	121.2	156	169.2	0	0	0	0	105.7	D560 Q561 Q566	D560-V564 PolarHBondContact O-N 3.39Å; Q561-V564 WeakPolarHBondContact O-CG2 3.09Å; Q561-V564 PolarHBondContact O-N 2.81Å; V564-Q566 PolarHBondContact O-N 3.42Å
565	P	48.7	Very low	53.8	Low	105 Å²	105	126.2 Å²	126.2	68%	0.682	60%	0.597	S	S	*	*			trans	-61.9	112	175.7	25.4	-32.4	0	0	0	107.3	N563 L567	N563-P565 WeakPolarHBondContact O-CD 3.47Å; P565-L567 PolarHBondContact O-N 2.82Å
566	Q	47.4	Very low	56.3	Low	178 Å²	178	122.6 Å²	122.6	83%	0.832	59%	0.587	S	S	*	*			trans	-58.2	117.1	169.8	177.8	172.3	-22.3	0	0	106.2	V564 D568	V564-Q566 PolarHBondContact O-N 3.42Å; Q566-D568 PolarHBondContact O-N 2.87Å
567	L	60.2	Low	59.1	Low	120 Å²	120	114 Å²	114	63%	0.628	56%	0.56	S	S	*	*			trans	-63	105.4	176.1	-64.9	175.6	0	0	0	106.9	P565 V569 V939	P565-L567 PolarHBondContact O-N 2.82Å; L567-V569 HydrophobicContact CB-CG2 3.96Å; L567-V569 PolarHBondContact O-N 3.12Å; L567-V939 HydrophobicContact CD1-CB 4.2Å; L567-V939 HydrophobicContact CD1-CG1 4.48Å; L567-V939 HydrophobicContact CD1-CG2 4.15Å
568	D	55.9	Low	61.9	Low	141 Å²	141	107.7 Å²	107.7	75%	0.754	54%	0.536	S	S	*	.			trans	-75.2	70.9	177.3	-171.7	29.9	0	0	0	109.2	Q566 K570	Q566-D568 PolarHBondContact O-N 2.87Å; D568-K570 PolarHBondContact O-N 2.82Å
569	V	72.3	Confident	64.8	Low	50 Å²	50	98.7 Å²	98.7	30%	0.303	50%	0.502	S	S	.	.			trans	-74	79.3	177.4	-177.3	0	0	0	0	107.4	L567 E571 V939 H941	L567-V569 HydrophobicContact CB-CG2 3.96Å; L567-V569 PolarHBondContact O-N 3.12Å; V569-E571 PolarHBondContact O-N 2.88Å; V569-V939 HydrophobicContact CG2-CG1 4.11Å; V569-H941 HydrophobicContact CG1-CB 4.18Å; V569-H941 VanDerWaalsContact CG1-N 3.35Å
570	K	66.8	Low	67.4	Low	179 Å²	179	91.2 Å²	91.2	78%	0.778	47%	0.47	S	S	*	.			trans	-55.7	99	178.1	-172.8	175.3	-176.8	177.8	0	109.9	D568	D568-K570 PolarHBondContact O-N 2.82Å
571	E	69.6	Low	69.9	Low	98 Å²	98	87.7 Å²	87.7	46%	0.458	45%	0.451	S	S	.	.			trans	-65.3	138.5	176.9	-69.4	-161.5	-146.4	0	0	110.3	V569 G573 R742 H941	V569-E571 PolarHBondContact O-N 2.88Å; E571-G573 PolarHBondContact O-N 2.65Å; E571-G573 VanDerWaalsContact O-N 3.09Å; E571-R742 IonicContact OE2-CZ 3.26Å; E571-R742 IonicContact OE2-NH1 2.81Å; E571-R742 PolarHBondContact OE2-NH1 3.37Å; E571-R742 IonicContact OE2-NH2 3.84Å; E571-H941 HydrophobicContact CG-CB 4.31Å
572	P	75.3	Confident	72.3	Confident	46 Å²	46	83.1 Å²	83.1	30%	0.299	43%	0.43	S	S	.	.			trans	-70.2	108.6	175	28.7	-33	0	0	0	109.1	I574 F575 H941	P572-I574 CarbonylContact O-C 3.6Å; P572-I574 PolarHBondContact O-N 2.87Å; P572-F575 HydrophobicContact CG-CD2 4.43Å; P572-H941 VanDerWaalsContact CD-CG 3.46Å
573	G	74.2	Confident	74.5	Confident	62 Å²	62	80.3 Å²	80.3	64%	0.639	43%	0.426	S	S	*	.	S	Bend	trans	-58.3	-13.2	179.2	0	0	0	0	0	114.9	E571	E571-G573 PolarHBondContact O-N 2.65Å; E571-G573 VanDerWaalsContact O-N 3.09Å
574	I	86.1	Confident	76.8	Confident	68 Å²	68	77.9 Å²	77.9	35%	0.349	42%	0.419	S	S	.	.	S	Bend	trans	-125.6	106.5	168.7	-58.5	162.5	0	0	0	108.3	P572 R601 L602 E603	P572-I574 CarbonylContact O-C 3.6Å; P572-I574 PolarHBondContact O-N 2.87Å; I574-R601 HydrophobicContact CG2-CG 3.62Å; I574-L602 CarbonylContact C-O 3.56Å; I574-L602 WeakPolarHBondContact CA-O 3.22Å; I574-E603 HydrophobicContact CG1-CB 4.45Å; I574-E603 HydrophobicContact CG1-CG 3.93Å
575	F	90.2	Very high	78.6	Confident	32 Å²	32	73.7 Å²	73.7	14%	0.14	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.5	172.2	-169.3	-111	0	0	0	109.9	P572 R601 L602 E738 W739 R742	P572-F575 HydrophobicContact CG-CD2 4.43Å; F575-R601 WeakPolarHBondContact O-CA 3.22Å; F575-L602 PolarHBondContact N-O 3.36Å; F575-L602 PolarHBondContact O-N 2.83Å; F575-E738 HydrophobicContact CE1-CG 4.04Å; F575-E738 HydrophobicContact CE2-CG 4.22Å; F575-E738 HydrophobicContact CZ-CG 3.53Å; F575-W739 HydrophobicContact CD1-CD2 4.17Å; F575-W739 AromaticContact CD1-CE3 3.82Å; F575-W739 HydrophobicContact CD1-CE3 3.82Å; F575-W739 AromaticContact CD1-CH2 3.57Å; F575-W739 HydrophobicContact CD1-CH2 3.57Å; F575-W739 AromaticContact CD1-CZ2 3.92Å; F575-W739 HydrophobicContact CD1-CZ2 3.92Å; F575-W739 AromaticContact CD1-CZ3 3.53Å; F575-W739 HydrophobicContact CD1-CZ3 3.53Å; F575-W739 AromaticContact CE1-CD2 3.77Å; F575-W739 HydrophobicContact CE1-CD2 3.77Å; F575-W739 AromaticContact CE1-CE2 3.68Å; F575-W739 AromaticContact CE1-CE3 3.91Å; F575-W739 HydrophobicContact CE1-CE3 3.91Å; F575-W739 HydrophobicContact CE1-CG 4.41Å; F575-W739 AromaticContact CE1-CH2 3.92Å; F575-W739 HydrophobicContact CE1-CH2 3.92Å; F575-W739 AromaticContact CE1-CZ2 3.77Å; F575-W739 HydrophobicContact CE1-CZ2 3.77Å; F575-W739 AromaticContact CE1-CZ3 3.99Å; F575-W739 HydrophobicContact CE1-CZ3 3.99Å; F575-R742 HydrophobicContact CD1-CG 4.14Å; F575-R742 HydrophobicContact CE1-CG 4.34Å
576	K	92.8	Very high	80.2	Confident	139 Å²	139	72.4 Å²	72.4	60%	0.604	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.7	-169.4	72.2	-166.8	-174.6	-174.5	0	112.7	Y599 V600	K576-Y599 WeakPolarHBondContact CD-OH 3.25Å; K576-Y599 WeakPolarHBondContact CG-OH 3.18Å; K576-V600 CarbonylContact C-O 3.59Å; K576-V600 VanDerWaalsContact CA-O 3.3Å; K576-V600 WeakPolarHBondContact CA-O 3.34Å
577	G	91.8	Very high	81.9	Confident	18 Å²	18	67.2 Å²	67.2	19%	0.186	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-179.5	-178.8	0	0	0	0	0	114.1	V600	G577-V600 PolarHBondContact N-O 3.03Å; G577-V600 PolarHBondContact O-N 3.39Å
578	W	92.9	Very high	82.8	Confident	39 Å²	39	67 Å²	67	15%	0.148	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.2	-176.1	-71.2	102.1	0	0	0	112.3	Y599 P612 I616 P627 V629 Y631 R731	W578-Y599 AromaticContact CD2-CD2 3.81Å; W578-Y599 HydrophobicContact CD2-CD2 3.81Å; W578-Y599 AromaticContact CE2-CD2 3.63Å; W578-Y599 HydrophobicContact CE3-CD2 4.28Å; W578-Y599 HydrophobicContact CG-CD2 4.18Å; W578-Y599 HydrophobicContact CH2-CD2 4.42Å; W578-Y599 AromaticContact CZ2-CD2 3.96Å; W578-Y599 HydrophobicContact CZ2-CD2 3.96Å; W578-Y599 HydrophobicContact CZ2-CG 4.46Å; W578-Y599 AromaticContact NE1-CD2 3.88Å; W578-P612 HydrophobicContact CH2-CB 4.17Å; W578-P612 HydrophobicContact CH2-CG 4.31Å; W578-P612 HydrophobicContact CZ3-CB 4.34Å; W578-P612 HydrophobicContact CZ3-CG 3.98Å; W578-I616 HydrophobicContact CB-CD1 3.82Å; W578-I616 HydrophobicContact CD2-CD1 3.49Å; W578-I616 VanDerWaalsContact CD2-CD1 3.49Å; W578-I616 HydrophobicContact CD2-CG1 4.39Å; W578-I616 HydrophobicContact CE3-CD1 3.73Å; W578-I616 HydrophobicContact CE3-CG1 4.16Å; W578-I616 HydrophobicContact CG-CD1 3.54Å; W578-I616 HydrophobicContact CH2-CG2 4.45Å; W578-I616 HydrophobicContact CZ3-CD1 4.46Å; W578-P627 HydrophobicContact CZ2-CG 4.21Å; W578-V629 HydrophobicContact CH2-CG1 4.12Å; W578-V629 HydrophobicContact CH2-CG2 3.92Å; W578-V629 HydrophobicContact CZ2-CG2 3.93Å; W578-Y631 HydrophobicContact CH2-CE1 4.14Å; W578-R731 VanDerWaalsContact O-CD 3.28Å; W578-R731 WeakPolarHBondContact O-CD 3.28Å; W578-R731 WeakPolarHBondContact O-CG 3.26Å
579	M	94.3	Very high	83.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	-177.8	172.3	-58.3	-172.2	82.8	0	0	109.6	S597 V598 V600 I663 L728 F729 W739 F743	M579-S597 WeakPolarHBondContact O-CA 3.5Å; M579-V598 PolarHBondContact N-O 3.2Å; M579-V598 PolarHBondContact O-N 3.17Å; M579-V600 HydrophobicContact CB-CG2 3.79Å; M579-V600 HydrophobicContact CG-CB 4.41Å; M579-V600 HydrophobicContact CG-CG2 3.68Å; M579-V600 HydrophobicContact SD-CB 4.36Å; M579-V600 HydrophobicContact SD-CG1 4.41Å; M579-V600 HydrophobicContact SD-CG2 3.8Å; M579-I663 HydrophobicContact CE-CD1 4.09Å; M579-L728 HydrophobicContact CE-CB 3.77Å; M579-L728 HydrophobicContact SD-CB 4.18Å; M579-L728 HydrophobicContact SD-CD1 4.09Å; M579-F729 WeakPolarHBondContact CA-O 3.49Å; M579-F729 WeakPolarHBondContact CB-O 3.37Å; M579-W739 HydrophobicContact CE-CB 3.92Å; M579-W739 HydrophobicContact CE-CD2 4.45Å; M579-W739 HydrophobicContact CE-CG 3.8Å; M579-W739 HydrophobicContact CG-CG 4.5Å; M579-W739 HydrophobicContact SD-CB 4.3Å; M579-W739 HydrophobicContact SD-CD2 3.7Å; M579-W739 HydrophobicContact SD-CE3 4.33Å; M579-W739 HydrophobicContact SD-CG 3.67Å; M579-F743 HydrophobicContact CE-CE2 4.46Å; M579-F743 HydrophobicContact SD-CE2 4.38Å; M579-F743 HydrophobicContact SD-CZ 4.11Å
580	N	93.3	Very high	84.4	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.2	167.2	-43.3	-86	0	0	0	110.4	H596 S597 R618 L728 F729	N580-H596 CarbonylContact C-O 3.5Å; N580-H596 WeakPolarHBondContact CA-O 3.11Å; N580-S597 PolarHBondContact OD1-OG 3.37Å; N580-R618 PolarHBondContact ND2-O 3.48Å; N580-L728 CarbonylContact O-C 3.57Å; N580-L728 WeakPolarHBondContact O-CA 3.47Å; N580-F729 HydrophobicContact CB-CB 4.44Å; N580-F729 PolarHBondContact N-O 2.94Å; N580-F729 PolarHBondContact O-N 3.19Å
581	E	93.2	Very high	85	Confident	9 Å²	9	62.1 Å²	62.1	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	147.8	177	-176.8	-168.8	175.3	0	0	110.1	T595 H596 V598 K611 K635 Y727 L728	E581-T595 WeakPolarHBondContact O-CA 3.44Å; E581-H596 PolarHBondContact N-O 3.25Å; E581-H596 PolarHBondContact O-N 3.41Å; E581-V598 HydrophobicContact CB-CG2 3.62Å; E581-V598 WeakPolarHBondContact OE2-CG2 3.23Å; E581-K611 IonicContact OE1-NZ 3.92Å; E581-K611 WeakPolarHBondContact OE2-CE 3.42Å; E581-K611 IonicContact OE2-NZ 2.7Å; E581-K611 PolarHBondContact OE2-NZ 3.32Å; E581-K635 IonicContact OE1-NZ 4Å; E581-K635 PolarHBondContact OE1-NZ 3.48Å; E581-Y727 WeakPolarHBondContact CA-O 3.28Å; E581-L728 HydrophobicContact CB-CD2 4.17Å; E581-L728 HydrophobicContact CG-CD2 4.46Å
582	I	91	Very high	85.6	Confident	14 Å²	14	58.6 Å²	58.6	7%	0.072	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.9	163	-160.9	169.7	0	0	0	110	S584 Y590 L594 T595 Y727 F729	I582-S584 WeakPolarHBondContact CD1-O 3.23Å; I582-S584 VanDerWaalsContact CG1-O 3.32Å; I582-S584 WeakPolarHBondContact CG1-O 3.47Å; I582-Y590 HydrophobicContact CD1-CD2 4.09Å; I582-Y590 HydrophobicContact CD1-CE2 4.35Å; I582-L594 HydrophobicContact CD1-CB 3.69Å; I582-L594 HydrophobicContact CD1-CD1 4.5Å; I582-L594 HydrophobicContact CG1-CB 4.41Å; I582-T595 HydrophobicContact CB-CG2 4.35Å; I582-T595 HydrophobicContact CD1-CG2 4.39Å; I582-Y727 HydrophobicContact CG2-CD2 4.49Å; I582-Y727 HydrophobicContact CG2-CG 4.29Å; I582-Y727 PolarHBondContact N-O 3.35Å; I582-F729 HydrophobicContact CB-CE2 4.12Å; I582-F729 HydrophobicContact CG2-CE2 3.67Å; I582-F729 HydrophobicContact CG2-CZ 4.27Å
583	Q	84	Confident	86	Confident	165 Å²	165	59.1 Å²	59.1	77%	0.771	32%	0.32	S	S	*	.	S	Bend	trans	-80.8	-33.2	-175.8	-59.7	-176.3	45.5	0	0	113.2
584	S	83.9	Confident	86.6	Confident	71 Å²	71	60.6 Å²	60.6	50%	0.497	31%	0.312	S	S	.	.			trans	-138.3	145.3	170.7	-175.6	0	0	0	0	108.9	I582	I582-S584 WeakPolarHBondContact CD1-O 3.23Å; I582-S584 VanDerWaalsContact CG1-O 3.32Å; I582-S584 WeakPolarHBondContact CG1-O 3.47Å
585	Y	86.8	Confident	86.8	Confident	10 Å²	10	57.5 Å²	57.5	4%	0.039	30%	0.297	C	S	.	.			trans	-126	92.9	-178.8	179.8	-107.5	0	0	0	111.9	P587 Y590 M647 P662 Y727 F729	Y585-P587 HydrophobicContact CD1-CG 4.39Å; Y585-P587 HydrophobicContact CE1-CB 4.43Å; Y585-P587 HydrophobicContact CE1-CG 3.85Å; Y585-P587 WeakPolarHBondContact O-CD 3.38Å; Y585-Y590 AromaticContact CD2-CD2 3.99Å; Y585-Y590 HydrophobicContact CD2-CD2 3.99Å; Y585-Y590 HydrophobicContact CD2-CG 4.13Å; Y585-Y590 AromaticContact CE2-CD1 3.98Å; Y585-Y590 HydrophobicContact CE2-CD1 3.98Å; Y585-Y590 AromaticContact CE2-CD2 3.84Å; Y585-Y590 HydrophobicContact CE2-CD2 3.84Å; Y585-Y590 HydrophobicContact CE2-CE2 4.45Å; Y585-Y590 AromaticContact CE2-CG 3.58Å; Y585-Y590 HydrophobicContact CE2-CG 3.58Å; Y585-M647 HydrophobicContact CD1-CB 4.25Å; Y585-M647 HydrophobicContact CE1-CB 4.08Å; Y585-P662 HydrophobicContact CD1-CG 3.65Å; Y585-P662 HydrophobicContact CD2-CG 3.99Å; Y585-P662 HydrophobicContact CE1-CG 3.69Å; Y585-P662 HydrophobicContact CE2-CG 4.02Å; Y585-P662 HydrophobicContact CG-CG 3.81Å; Y585-Y727 HydrophobicContact CD1-CD1 4.42Å; Y585-Y727 HydrophobicContact CD1-CE1 4.44Å; Y585-Y727 HydrophobicContact CG-CD1 4.29Å; Y585-F729 AromaticContact CD2-CZ 3.79Å; Y585-F729 HydrophobicContact CD2-CZ 3.79Å; Y585-F729 HydrophobicContact CE2-CE1 4.17Å; Y585-F729 AromaticContact CE2-CZ 3.83Å; Y585-F729 HydrophobicContact CE2-CZ 3.83Å
586	D	83.1	Confident	86.7	Confident	78 Å²	78	60.4 Å²	60.4	42%	0.417	31%	0.31	S	S	.	.			trans	-90.5	114.3	167.4	-67.3	-60.5	0	0	0	110	E588 M589 Y590	D586-E588 PolarHBondContact O-N 2.96Å; D586-M589 HydrophobicContact CB-CB 4.21Å; D586-M589 HydrophobicContact CB-CE 3.98Å; D586-M589 PolarHBondContact O-N 3.38Å; D586-M589 VanDerWaalsContact OD2-CE 3.27Å; D586-M589 WeakPolarHBondContact OD2-CE 3.32Å; D586-Y590 VanDerWaalsContact O-CB 3.27Å; D586-Y590 WeakPolarHBondContact O-CB 3.12Å; D586-Y590 PolarHBondContact O-N 2.97Å
587	P	82.1	Confident	86.7	Confident	69 Å²	69	53.9 Å²	53.9	45%	0.448	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.2	179.7	-24.9	33.9	0	0	0	114.1	Y585 P648	Y585-P587 HydrophobicContact CD1-CG 4.39Å; Y585-P587 HydrophobicContact CE1-CB 4.43Å; Y585-P587 HydrophobicContact CE1-CG 3.85Å; Y585-P587 WeakPolarHBondContact O-CD 3.38Å; P587-P648 HydrophobicContact CB-CG 4.1Å; P587-P648 HydrophobicContact CG-CG 4.08Å
588	E	78.4	Confident	86.8	Confident	114 Å²	114	53 Å²	53	53%	0.533	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-34.7	-176.7	-63.6	-121.2	104.8	0	0	114.4	D586 R987	D586-E588 PolarHBondContact O-N 2.96Å; E588-R987 VanDerWaalsContact CA-NH2 3.32Å; E588-R987 PolarHBondContact O-NH1 2.75Å; E588-R987 PolarHBondContact O-NH2 2.81Å; E588-R987 IonicContact OE1-CZ 3.03Å; E588-R987 IonicContact OE1-NE 2.78Å; E588-R987 IonicContact OE1-NH2 3.78Å; E588-R987 PolarHBondContact OE1-NH2 3.39Å
589	M	79.6	Confident	86.9	Confident	140 Å²	140	53.6 Å²	53.6	69%	0.69	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.7	-176.2	-59.5	-167.8	-67.9	0	0	113.3	D586 H591	D586-M589 HydrophobicContact CB-CB 4.21Å; D586-M589 HydrophobicContact CB-CE 3.98Å; D586-M589 PolarHBondContact O-N 3.38Å; D586-M589 VanDerWaalsContact OD2-CE 3.27Å; D586-M589 WeakPolarHBondContact OD2-CE 3.32Å; M589-H591 PolarHBondContact O-N 2.73Å
590	Y	82.8	Confident	86.9	Confident	39 Å²	39	53.6 Å²	53.6	15%	0.153	28%	0.276	C	S	.	.			trans	-55.8	118.2	-179	170	-112.1	0	0	0	113.5	I582 Y585 D586 T595 K660 F729	I582-Y590 HydrophobicContact CD1-CD2 4.09Å; I582-Y590 HydrophobicContact CD1-CE2 4.35Å; Y585-Y590 AromaticContact CD2-CD2 3.99Å; Y585-Y590 HydrophobicContact CD2-CD2 3.99Å; Y585-Y590 HydrophobicContact CD2-CG 4.13Å; Y585-Y590 AromaticContact CE2-CD1 3.98Å; Y585-Y590 HydrophobicContact CE2-CD1 3.98Å; Y585-Y590 AromaticContact CE2-CD2 3.84Å; Y585-Y590 HydrophobicContact CE2-CD2 3.84Å; Y585-Y590 HydrophobicContact CE2-CE2 4.45Å; Y585-Y590 AromaticContact CE2-CG 3.58Å; Y585-Y590 HydrophobicContact CE2-CG 3.58Å; D586-Y590 VanDerWaalsContact O-CB 3.27Å; D586-Y590 WeakPolarHBondContact O-CB 3.12Å; D586-Y590 PolarHBondContact O-N 2.97Å; Y590-T595 HydrophobicContact CE2-CG2 3.64Å; Y590-K660 HydrophobicContact CE1-CG 4.2Å; Y590-K660 VanDerWaalsContact CE1-O 3.31Å; Y590-K660 WeakPolarHBondContact CE1-O 3.47Å; Y590-F729 HydrophobicContact CD2-CZ 4.07Å; Y590-F729 HydrophobicContact CE1-CE1 4.09Å; Y590-F729 HydrophobicContact CE1-CZ 4.42Å; Y590-F729 AromaticContact CE2-CE1 3.86Å; Y590-F729 HydrophobicContact CE2-CE1 3.86Å; Y590-F729 HydrophobicContact CE2-CE2 4.09Å; Y590-F729 AromaticContact CE2-CZ 3.42Å; Y590-F729 HydrophobicContact CE2-CZ 3.42Å; Y590-F729 VanDerWaalsContact CE2-CZ 3.42Å; Y590-F729 AromaticContact CZ-CE1 3.52Å; Y590-F729 AromaticContact CZ-CZ 3.62Å; Y590-F729 WeakPolarHBondContact OH-CE1 3.45Å
591	H	79.8	Confident	86.9	Confident	90 Å²	90	57.5 Å²	57.5	42%	0.417	29%	0.29	S	S	.	.			trans	-119.9	145.8	164.9	-163	-103.8	0	0	0	110.8	M589 T593 L594	M589-H591 PolarHBondContact O-N 2.73Å; H591-T593 WeakPolarHBondContact ND1-CG2 3.3Å; H591-T593 PolarHBondContact ND1-OG1 3.46Å; H591-T593 PolarHBondContact O-N 2.94Å; H591-L594 WeakPolarHBondContact O-CB 3.3Å; H591-L594 PolarHBondContact O-N 3.18Å
592	A	81.6	Confident	86.9	Confident	23 Å²	23	57.5 Å²	57.5	19%	0.19	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65	-25.9	-173.6	0	0	0	0	0	113.4	L594 T595 R618	A592-L594 PolarHBondContact O-N 3.19Å; A592-T595 PolarHBondContact O-N 2.89Å; A592-T595 VanDerWaalsContact O-N 3.11Å; A592-T595 PolarHBondContact O-OG1 2.89Å; A592-R618 VanDerWaalsContact O-CD 3.25Å; A592-R618 WeakPolarHBondContact O-CD 3.41Å; A592-R618 PolarHBondContact O-NE 2.88Å; A592-R618 VanDerWaalsContact O-NE 3.15Å
593	T	84.9	Confident	86.9	Confident	58 Å²	58	59.3 Å²	59.3	36%	0.356	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-53.1	-35.6	174.5	46.5	0	0	0	0	112.8	H591 T595 R618 E1006	H591-T593 WeakPolarHBondContact ND1-CG2 3.3Å; H591-T593 PolarHBondContact ND1-OG1 3.46Å; H591-T593 PolarHBondContact O-N 2.94Å; T593-T595 PolarHBondContact O-N 3.32Å; T593-R618 PolarHBondContact O-NH2 2.9Å; T593-E1006 WeakPolarHBondContact CG2-OE1 3.26Å; T593-E1006 VanDerWaalsContact CG2-OE2 3.28Å; T593-E1006 WeakPolarHBondContact CG2-OE2 3.24Å
594	L	86.1	Confident	87.1	Confident	93 Å²	93	53.3 Å²	53.3	49%	0.487	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-73.2	-7	-176.8	-53.7	177.1	0	0	0	113.7	I582 H591 A592	I582-L594 HydrophobicContact CD1-CB 3.69Å; I582-L594 HydrophobicContact CD1-CD1 4.5Å; I582-L594 HydrophobicContact CG1-CB 4.41Å; H591-L594 WeakPolarHBondContact O-CB 3.3Å; H591-L594 PolarHBondContact O-N 3.18Å; A592-L594 PolarHBondContact O-N 3.19Å
595	T	89.4	Confident	87.3	Confident	3 Å²	3	51 Å²	51	2%	0.018	26%	0.264	C	S	.	.			trans	-92.9	133.5	179	67.4	0	0	0	0	111.1	E581 I582 Y590 A592 T593 R618 F729	E581-T595 WeakPolarHBondContact O-CA 3.44Å; I582-T595 HydrophobicContact CB-CG2 4.35Å; I582-T595 HydrophobicContact CD1-CG2 4.39Å; Y590-T595 HydrophobicContact CE2-CG2 3.64Å; A592-T595 PolarHBondContact O-N 2.89Å; A592-T595 VanDerWaalsContact O-N 3.11Å; A592-T595 PolarHBondContact O-OG1 2.89Å; T593-T595 PolarHBondContact O-N 3.32Å; T595-R618 PolarHBondContact O-NE 3.03Å; T595-R618 VanDerWaalsContact O-NE 3.1Å; T595-R618 WeakPolarHBondContact OG1-CD 3.36Å; T595-F729 HydrophobicContact CG2-CD2 3.9Å; T595-F729 HydrophobicContact CG2-CE2 3.7Å; T595-F729 HydrophobicContact CG2-CZ 4.31Å
596	H	89.9	Confident	87.5	Confident	93 Å²	93	52.8 Å²	52.8	43%	0.431	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.7	176.8	-61.4	-77.5	0	0	0	109.9	N580 E581 N615	N580-H596 CarbonylContact C-O 3.5Å; N580-H596 WeakPolarHBondContact CA-O 3.11Å; E581-H596 PolarHBondContact N-O 3.25Å; E581-H596 PolarHBondContact O-N 3.41Å; H596-N615 WeakPolarHBondContact CA-OD1 3.47Å
597	S	92.5	Very high	88	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142.5	176.5	-59.5	0	0	0	0	111.8	M579 N580 P612 N615 I616	M579-S597 WeakPolarHBondContact O-CA 3.5Å; N580-S597 PolarHBondContact OD1-OG 3.37Å; S597-P612 WeakPolarHBondContact O-CD 3.23Å; S597-N615 PolarHBondContact N-OD1 3.33Å; S597-N615 PolarHBondContact OG-ND2 2.9Å; S597-I616 WeakPolarHBondContact OG-CG1 3.48Å
598	V	93.3	Very high	88.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.7	-178.2	176.1	0	0	0	0	108.5	M579 E581 V600 L609 K611	M579-V598 PolarHBondContact N-O 3.2Å; M579-V598 PolarHBondContact O-N 3.17Å; E581-V598 HydrophobicContact CB-CG2 3.62Å; E581-V598 WeakPolarHBondContact OE2-CG2 3.23Å; V598-V600 HydrophobicContact CG1-CG2 4.26Å; V598-L609 HydrophobicContact CG1-CB 3.77Å; V598-L609 HydrophobicContact CG1-CD2 4.08Å; V598-L609 HydrophobicContact CG1-CG 4.38Å; V598-K611 HydrophobicContact CG2-CG 4.35Å
599	Y	94.1	Very high	89.3	Confident	51 Å²	51	43.7 Å²	43.7	20%	0.2	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	123.1	168.8	-170.2	-112.9	0	0	0	109	K576 W578 S610 Y631	K576-Y599 WeakPolarHBondContact CD-OH 3.25Å; K576-Y599 WeakPolarHBondContact CG-OH 3.18Å; W578-Y599 AromaticContact CD2-CD2 3.81Å; W578-Y599 HydrophobicContact CD2-CD2 3.81Å; W578-Y599 AromaticContact CE2-CD2 3.63Å; W578-Y599 HydrophobicContact CE3-CD2 4.28Å; W578-Y599 HydrophobicContact CG-CD2 4.18Å; W578-Y599 HydrophobicContact CH2-CD2 4.42Å; W578-Y599 AromaticContact CZ2-CD2 3.96Å; W578-Y599 HydrophobicContact CZ2-CD2 3.96Å; W578-Y599 HydrophobicContact CZ2-CG 4.46Å; W578-Y599 AromaticContact NE1-CD2 3.88Å; Y599-S610 PolarHBondContact N-O 2.85Å; Y599-S610 PolarHBondContact O-N 3.02Å; Y599-Y631 HydrophobicContact CD1-CE1 4.44Å; Y599-Y631 WeakPolarHBondContact CD1-OH 3.38Å; Y599-Y631 HydrophobicContact CG-CE1 4.25Å
600	V	94.5	Very high	89.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.4	-173.5	-173.5	0	0	0	0	108.5	K576 G577 M579 V598 L607 L609 W739 F743	K576-V600 CarbonylContact C-O 3.59Å; K576-V600 VanDerWaalsContact CA-O 3.3Å; K576-V600 WeakPolarHBondContact CA-O 3.34Å; G577-V600 PolarHBondContact N-O 3.03Å; G577-V600 PolarHBondContact O-N 3.39Å; M579-V600 HydrophobicContact CB-CG2 3.79Å; M579-V600 HydrophobicContact CG-CB 4.41Å; M579-V600 HydrophobicContact CG-CG2 3.68Å; M579-V600 HydrophobicContact SD-CB 4.36Å; M579-V600 HydrophobicContact SD-CG1 4.41Å; M579-V600 HydrophobicContact SD-CG2 3.8Å; V598-V600 HydrophobicContact CG1-CG2 4.26Å; V600-L607 HydrophobicContact CG1-CD1 3.51Å; V600-L609 HydrophobicContact CB-CD2 4.28Å; V600-L609 HydrophobicContact CG1-CD2 3.89Å; V600-L609 HydrophobicContact CG2-CD2 3.79Å; V600-W739 HydrophobicContact CB-CH2 3.65Å; V600-W739 HydrophobicContact CB-CZ2 3.87Å; V600-W739 HydrophobicContact CB-CZ3 4.23Å; V600-W739 HydrophobicContact CG1-CE3 4.23Å; V600-W739 HydrophobicContact CG1-CH2 3.45Å; V600-W739 VanDerWaalsContact CG1-CH2 3.45Å; V600-W739 HydrophobicContact CG1-CZ2 4.09Å; V600-W739 HydrophobicContact CG1-CZ3 3.52Å; V600-F743 HydrophobicContact CG1-CE1 4.45Å; V600-F743 HydrophobicContact CG1-CZ 4.3Å
601	R	94.2	Very high	90.4	Very high	85 Å²	85	37.9 Å²	37.9	32%	0.321	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.3	172.1	168.4	173.2	168.9	160.3	-1.4	108.3	I574 F575 E603 R608	I574-R601 HydrophobicContact CG2-CG 3.62Å; F575-R601 WeakPolarHBondContact O-CA 3.22Å; R601-E603 IonicContact CZ-OE1 3.72Å; R601-E603 IonicContact CZ-OE2 3.52Å; R601-E603 IonicContact NE-OE2 2.8Å; R601-E603 PolarHBondContact NE-OE2 3.45Å; R601-E603 IonicContact NH2-OE1 2.7Å; R601-E603 PolarHBondContact NH2-OE1 2.82Å; R601-E603 IonicContact NH2-OE2 2.76Å; R601-E603 PolarHBondContact NH2-OE2 2.84Å; R601-R608 HydrophobicContact CB-CB 4.26Å; R601-R608 PolarHBondContact N-O 3.02Å; R601-R608 PolarHBondContact O-N 3.34Å
602	L	92.7	Very high	91	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.7	174.5	-179.7	70.3	0	0	0	109.3	I574 F575 V606 L607 L639 W739 R742 F743 A746	I574-L602 CarbonylContact C-O 3.56Å; I574-L602 WeakPolarHBondContact CA-O 3.22Å; F575-L602 PolarHBondContact N-O 3.36Å; F575-L602 PolarHBondContact O-N 2.83Å; L602-V606 WeakPolarHBondContact CA-O 3.37Å; L602-L607 HydrophobicContact CD1-CB 4.4Å; L602-L607 HydrophobicContact CD1-CD1 4.45Å; L602-L639 HydrophobicContact CD1-CD1 3.74Å; L602-W739 HydrophobicContact CB-CZ3 4.03Å; L602-R742 HydrophobicContact CD2-CB 3.84Å; L602-F743 HydrophobicContact CD1-CD1 4.32Å; L602-F743 HydrophobicContact CD2-CD1 3.94Å; L602-F743 HydrophobicContact CD2-CE1 4.32Å; L602-A746 HydrophobicContact CD1-CB 3.99Å; L602-A746 HydrophobicContact CD2-CB 4.19Å
603	E	91.1	Very high	91.2	Very high	52 Å²	52	36.9 Å²	36.9	24%	0.243	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	96.6	-168.3	-177.8	171.5	-172.2	0	0	108.7	I574 R601 S605 V606 R608	I574-E603 HydrophobicContact CG1-CB 4.45Å; I574-E603 HydrophobicContact CG1-CG 3.93Å; R601-E603 IonicContact CZ-OE1 3.72Å; R601-E603 IonicContact CZ-OE2 3.52Å; R601-E603 IonicContact NE-OE2 2.8Å; R601-E603 PolarHBondContact NE-OE2 3.45Å; R601-E603 IonicContact NH2-OE1 2.7Å; R601-E603 PolarHBondContact NH2-OE1 2.82Å; R601-E603 IonicContact NH2-OE2 2.76Å; R601-E603 PolarHBondContact NH2-OE2 2.84Å; E603-S605 PolarHBondContact O-N 2.8Å; E603-V606 PolarHBondContact N-O 2.79Å; E603-V606 WeakPolarHBondContact O-CB 3.46Å; E603-V606 PolarHBondContact O-N 3.42Å; E603-R608 IonicContact OE1-NH2 3.96Å; E603-R608 PolarHBondContact OE1-NH2 3.03Å; E603-R608 IonicContact OE2-CZ 2.68Å; E603-R608 VanDerWaalsContact OE2-CZ 3.24Å; E603-R608 IonicContact OE2-NE 2.85Å; E603-R608 PolarHBondContact OE2-NE 3.43Å; E603-R608 IonicContact OE2-NH2 2.61Å; E603-R608 PolarHBondContact OE2-NH2 2.78Å
604	G	87.5	Confident	91.2	Very high	38 Å²	38	43.1 Å²	43.1	39%	0.392	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-130.2	-160.8	0	0	0	0	0	110.9	V606 A746 M749	G604-V606 VanDerWaalsContact C-N 3.29Å; G604-A746 WeakPolarHBondContact O-CB 3.39Å; G604-M749 VanDerWaalsContact C-SD 3.53Å
605	S	89	Confident	91.1	Very high	22 Å²	22	42 Å²	42	15%	0.154	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.5	172.9	70.2	0	0	0	0	113.8	E603 L607 D638 L639 T640	E603-S605 PolarHBondContact O-N 2.8Å; S605-L607 PolarHBondContact O-N 2.92Å; S605-D638 WeakPolarHBondContact CB-OD1 3.43Å; S605-D638 PolarHBondContact OG-OD1 3.06Å; S605-L639 VanDerWaalsContact O-CB 3.29Å; S605-L639 WeakPolarHBondContact O-CB 3.33Å; S605-L639 WeakPolarHBondContact O-CG 3.39Å; S605-L639 PolarHBondContact O-N 2.87Å; S605-T640 WeakPolarHBondContact CB-OG1 3.28Å; S605-T640 PolarHBondContact OG-OG1 3.31Å
606	V	91.7	Very high	91	Very high	49 Å²	49	42.9 Å²	42.9	30%	0.297	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	114.6	-169.3	-175.8	0	0	0	0	111.4	L602 E603 G604 R608 I636	L602-V606 WeakPolarHBondContact CA-O 3.37Å; E603-V606 PolarHBondContact N-O 2.79Å; E603-V606 WeakPolarHBondContact O-CB 3.46Å; E603-V606 PolarHBondContact O-N 3.42Å; G604-V606 VanDerWaalsContact C-N 3.29Å; V606-R608 HydrophobicContact CG1-CG 4.23Å; V606-I636 HydrophobicContact CG1-CG2 3.63Å
607	L	93.4	Very high	90.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.4	175.1	-179.5	62.9	0	0	0	110.8	V600 L602 S605 L609 I636 Y637 L639 I665 F743	V600-L607 HydrophobicContact CG1-CD1 3.51Å; L602-L607 HydrophobicContact CD1-CB 4.4Å; L602-L607 HydrophobicContact CD1-CD1 4.45Å; S605-L607 PolarHBondContact O-N 2.92Å; L607-L609 HydrophobicContact CD1-CD2 4Å; L607-L609 HydrophobicContact CD2-CD2 4.27Å; L607-L609 HydrophobicContact CG-CD2 4.02Å; L607-L609 HydrophobicContact CG-CG 4.32Å; L607-I636 CarbonylContact O-C 3.39Å; L607-I636 WeakPolarHBondContact O-CA 3.29Å; L607-Y637 PolarHBondContact N-O 2.73Å; L607-Y637 PolarHBondContact O-N 2.85Å; L607-L639 HydrophobicContact CB-CD1 4.03Å; L607-L639 HydrophobicContact CB-CD2 4.1Å; L607-L639 HydrophobicContact CB-CG 3.88Å; L607-L639 HydrophobicContact CD2-CD1 4.35Å; L607-L639 HydrophobicContact CD2-CD2 3.93Å; L607-L639 HydrophobicContact CD2-CG 4.46Å; L607-I665 HydrophobicContact CD2-CD1 3.96Å; L607-F743 HydrophobicContact CD1-CE1 3.67Å; L607-F743 HydrophobicContact CD1-CZ 4.29Å
608	R	93.8	Very high	90.4	Very high	70 Å²	70	44 Å²	44	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.4	173.7	-39.7	-173	-162.8	-136.6	9.3	109.7	R601 E603 V606 K635 I636	R601-R608 HydrophobicContact CB-CB 4.26Å; R601-R608 PolarHBondContact N-O 3.02Å; R601-R608 PolarHBondContact O-N 3.34Å; E603-R608 IonicContact OE1-NH2 3.96Å; E603-R608 PolarHBondContact OE1-NH2 3.03Å; E603-R608 IonicContact OE2-CZ 2.68Å; E603-R608 VanDerWaalsContact OE2-CZ 3.24Å; E603-R608 IonicContact OE2-NE 2.85Å; E603-R608 PolarHBondContact OE2-NE 3.43Å; E603-R608 IonicContact OE2-NH2 2.61Å; E603-R608 PolarHBondContact OE2-NH2 2.78Å; V606-R608 HydrophobicContact CG1-CG 4.23Å; R608-K635 WeakPolarHBondContact CA-O 3.45Å; R608-I636 HydrophobicContact CB-CG1 4.49Å; R608-I636 HydrophobicContact CG-CG1 4.39Å; R608-I636 HydrophobicContact CG-CG2 4.48Å
609	L	93.5	Very high	90.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	108.8	178.3	-63.1	-167.4	0	0	0	110.3	V598 V600 L607 Q634 K635 Y637 I726 L728	V598-L609 HydrophobicContact CG1-CB 3.77Å; V598-L609 HydrophobicContact CG1-CD2 4.08Å; V598-L609 HydrophobicContact CG1-CG 4.38Å; V600-L609 HydrophobicContact CB-CD2 4.28Å; V600-L609 HydrophobicContact CG1-CD2 3.89Å; V600-L609 HydrophobicContact CG2-CD2 3.79Å; L607-L609 HydrophobicContact CD1-CD2 4Å; L607-L609 HydrophobicContact CD2-CD2 4.27Å; L607-L609 HydrophobicContact CG-CD2 4.02Å; L607-L609 HydrophobicContact CG-CG 4.32Å; L609-Q634 CarbonylContact O-C 3.55Å; L609-Q634 WeakPolarHBondContact O-CA 3.45Å; L609-K635 HydrophobicContact CB-CB 4.36Å; L609-K635 PolarHBondContact N-O 2.76Å; L609-K635 PolarHBondContact O-N 3.04Å; L609-Y637 HydrophobicContact CD1-CD2 4.43Å; L609-Y637 HydrophobicContact CD1-CE2 3.91Å; L609-Y637 HydrophobicContact CG-CD2 4.49Å; L609-Y637 HydrophobicContact CG-CE2 4.32Å; L609-I726 HydrophobicContact CD1-CG2 4.14Å; L609-L728 HydrophobicContact CD1-CD2 4.33Å; L609-L728 HydrophobicContact CD2-CD1 4.41Å
610	S	93.1	Very high	89.7	Confident	14 Å²	14	45.8 Å²	45.8	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.3	-177.7	-56.2	0	0	0	0	111.4	Y599	Y599-S610 PolarHBondContact N-O 2.85Å; Y599-S610 PolarHBondContact O-N 3.02Å
611	K	92.4	Very high	89.2	Confident	43 Å²	43	48.2 Å²	48.2	19%	0.187	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.5	-179.5	-53.4	-158.8	-179.3	-140.8	0	111.1	E581 V598 Y631 I632 S633	E581-K611 IonicContact OE1-NZ 3.92Å; E581-K611 WeakPolarHBondContact OE2-CE 3.42Å; E581-K611 IonicContact OE2-NZ 2.7Å; E581-K611 PolarHBondContact OE2-NZ 3.32Å; V598-K611 HydrophobicContact CG2-CG 4.35Å; K611-Y631 CarbonylContact O-C 3.43Å; K611-Y631 WeakPolarHBondContact O-CA 3.34Å; K611-I632 PolarHBondContact O-N 2.84Å; K611-S633 PolarHBondContact N-O 3.36Å
612	P	92.2	Very high	88.5	Confident	17 Å²	17	47.4 Å²	47.4	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	162.8	175.4	34.2	-37.2	0	0	0	111.5	W578 S597 R614 V629 T630	W578-P612 HydrophobicContact CH2-CB 4.17Å; W578-P612 HydrophobicContact CH2-CG 4.31Å; W578-P612 HydrophobicContact CZ3-CB 4.34Å; W578-P612 HydrophobicContact CZ3-CG 3.98Å; S597-P612 WeakPolarHBondContact O-CD 3.23Å; P612-R614 VanDerWaalsContact C-N 3.31Å; P612-R614 WeakPolarHBondContact CB-O 3.44Å; P612-R614 WeakPolarHBondContact CG-O 3.46Å; P612-V629 HydrophobicContact CB-CG1 3.68Å; P612-T630 CarbonylContact C-O 3.19Å; P612-T630 WeakPolarHBondContact CA-O 3.39Å
613	N	85.1	Confident	87.8	Confident	74 Å²	74	53 Å²	53	40%	0.396	27%	0.274	S	S	.	.	S	Bend	trans	-67.4	-28.4	171.4	66.5	-20.2	0	0	0	113.7	T630 I632	N613-T630 VanDerWaalsContact CG-OG1 3.32Å; N613-T630 PolarHBondContact N-O 2.86Å; N613-T630 PolarHBondContact ND2-OG1 2.79Å; N613-T630 VanDerWaalsContact ND2-OG1 3.09Å; N613-T630 PolarHBondContact OD1-O 2.82Å; N613-I632 HydrophobicContact CB-CD1 3.74Å; N613-I632 HydrophobicContact CB-CG1 3.92Å
614	R	84.8	Confident	87.4	Confident	190 Å²	190	53.4 Å²	53.4	72%	0.717	28%	0.276	S	S	*	.	S	Bend	trans	-129.9	142.9	179.3	-63	-177.9	70.7	179.2	1	109.8	P612	P612-R614 VanDerWaalsContact C-N 3.31Å; P612-R614 WeakPolarHBondContact CB-O 3.44Å; P612-R614 WeakPolarHBondContact CG-O 3.46Å
615	N	84.4	Confident	87	Confident	69 Å²	69	56.5 Å²	56.5	37%	0.369	29%	0.289	S	S	.	.			trans	-69.7	132.8	175.2	-149.7	89.1	0	0	0	109.8	H596 S597	H596-N615 WeakPolarHBondContact CA-OD1 3.47Å; S597-N615 PolarHBondContact N-OD1 3.33Å; S597-N615 PolarHBondContact OG-ND2 2.9Å
616	I	87.9	Confident	86.5	Confident	22 Å²	22	65.4 Å²	65.4	11%	0.113	33%	0.325	C	S	.	.			trans	-84.6	-176.7	170.1	67.6	156.9	0	0	0	109.9	W578 S597 R618 P627	W578-I616 HydrophobicContact CB-CD1 3.82Å; W578-I616 HydrophobicContact CD2-CD1 3.49Å; W578-I616 VanDerWaalsContact CD2-CD1 3.49Å; W578-I616 HydrophobicContact CD2-CG1 4.39Å; W578-I616 HydrophobicContact CE3-CD1 3.73Å; W578-I616 HydrophobicContact CE3-CG1 4.16Å; W578-I616 HydrophobicContact CG-CD1 3.54Å; W578-I616 HydrophobicContact CH2-CG2 4.45Å; W578-I616 HydrophobicContact CZ3-CD1 4.46Å; S597-I616 WeakPolarHBondContact OG-CG1 3.48Å; I616-R618 PolarHBondContact O-N 3Å; I616-P627 HydrophobicContact CG2-CB 3.83Å; I616-P627 HydrophobicContact CG2-CG 4Å
617	S	85.3	Confident	86	Confident	59 Å²	59	65.8 Å²	65.8	41%	0.413	33%	0.329	S	S	.	.			trans	-62.1	131.8	172.7	178.1	0	0	0	0	110.5	R619 E624 R731	S617-R619 WeakPolarHBondContact CB-O 3.31Å; S617-R619 PolarHBondContact O-N 2.84Å; S617-R619 PolarHBondContact OG-N 2.68Å; S617-R619 PolarHBondContact OG-O 2.7Å; S617-E624 WeakPolarHBondContact CB-OE1 3.34Å; S617-R731 PolarHBondContact O-NE 3.05Å; S617-R731 VanDerWaalsContact O-NE 3.09Å; S617-R731 PolarHBondContact O-NH2 2.85Å
618	R	85.2	Confident	85.2	Confident	60 Å²	60	73.4 Å²	73.4	23%	0.226	37%	0.369	C	S	.	.	S	Bend	trans	-68	-15	177.5	-60.5	178.5	-176.3	106.8	-10.4	112.9	N580 A592 T593 T595 I616 E1006	N580-R618 PolarHBondContact ND2-O 3.48Å; A592-R618 VanDerWaalsContact O-CD 3.25Å; A592-R618 WeakPolarHBondContact O-CD 3.41Å; A592-R618 PolarHBondContact O-NE 2.88Å; A592-R618 VanDerWaalsContact O-NE 3.15Å; T593-R618 PolarHBondContact O-NH2 2.9Å; T595-R618 PolarHBondContact O-NE 3.03Å; T595-R618 VanDerWaalsContact O-NE 3.1Å; T595-R618 WeakPolarHBondContact OG1-CD 3.36Å; I616-R618 PolarHBondContact O-N 3Å; R618-E1006 IonicContact CZ-OE2 2.62Å; R618-E1006 IonicContact NH1-OE2 3.99Å; R618-E1006 PolarHBondContact NH1-OE2 2.92Å; R618-E1006 IonicContact NH2-OE2 2.74Å
619	R	86.1	Confident	84.7	Confident	81 Å²	81	71.5 Å²	71.5	31%	0.306	37%	0.365	S	S	.	.	S	Bend	trans	-129.4	134.8	176.6	-53.5	-170.1	-171.7	-66	3.2	109.9	S617	S617-R619 WeakPolarHBondContact CB-O 3.31Å; S617-R619 PolarHBondContact O-N 2.84Å; S617-R619 PolarHBondContact OG-N 2.68Å; S617-R619 PolarHBondContact OG-O 2.7Å
620	A	85.5	Confident	84.2	Confident	7 Å²	7	75.5 Å²	75.5	6%	0.058	39%	0.39	C	S	.	.			trans	-68.3	140.1	176.9	0	0	0	0	0	110.7	R731 T732 P1140 N1141	A620-R731 HydrophobicContact CB-CB 4.12Å; A620-T732 HydrophobicContact CB-CG2 3.89Å; A620-P1140 HydrophobicContact CB-CG 3.56Å; A620-N1141 PolarHBondContact O-ND2 3.05Å
621	A	84.4	Confident	84	Confident	51 Å²	51	79.9 Å²	79.9	42%	0.421	41%	0.405	S	S	.	.			trans	-118	156.7	172	0	0	0	0	0	109.3	E624	A621-E624 HydrophobicContact CB-CB 4.48Å; A621-E624 PolarHBondContact O-N 3.48Å
622	H	79.1	Confident	83.8	Confident	68 Å²	68	84 Å²	84	32%	0.315	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-50.1	179.3	177.2	62.9	0	0	0	112	E624 R1098 P1100 V1138 M1139	H622-E624 VanDerWaalsContact C-N 3.34Å; H622-E624 PolarHBondContact O-N 2.79Å; H622-R1098 PolarHBondContact CE1-O 3.1Å; H622-P1100 WeakPolarHBondContact NE2-CD 3.4Å; H622-V1138 HydrophobicContact CB-CG1 4Å; H622-V1138 WeakPolarHBondContact ND1-CG1 3.41Å; H622-M1139 WeakPolarHBondContact CA-O 3.15Å; H622-M1139 WeakPolarHBondContact CB-O 3.11Å; H622-M1139 PolarHBondContact ND1-O 3.14Å
623	N	79.4	Confident	83.5	Confident	127 Å²	127	85.8 Å²	85.8	68%	0.679	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	42.3	-178.9	-65.2	-36.6	0	0	0	112.4
624	E	81.7	Confident	83.8	Confident	60 Å²	60	87.5 Å²	87.5	28%	0.28	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-80.2	122.8	174.5	-174.5	170.1	-146.1	0	0	110.5	S617 A621 H622 R731	S617-E624 WeakPolarHBondContact CB-OE1 3.34Å; A621-E624 HydrophobicContact CB-CB 4.48Å; A621-E624 PolarHBondContact O-N 3.48Å; H622-E624 VanDerWaalsContact C-N 3.34Å; H622-E624 PolarHBondContact O-N 2.79Å; E624-R731 IonicContact OE1-CZ 2.73Å; E624-R731 IonicContact OE1-NH1 2.7Å; E624-R731 IonicContact OE1-NH2 2.8Å; E624-R731 PolarHBondContact OE1-NH2 2.82Å; E624-R731 IonicContact OE2-CZ 3.47Å; E624-R731 VanDerWaalsContact OE2-CZ 3.22Å; E624-R731 IonicContact OE2-NH1 2.68Å; E624-R731 PolarHBondContact OE2-NH1 2.71Å; E624-R731 IonicContact OE2-NH2 3.24Å; E624-R731 PolarHBondContact OE2-NH2 2.94Å
625	P	78.3	Confident	84.1	Confident	104 Å²	104	81.8 Å²	81.8	68%	0.675	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-66.9	149	174.9	29.2	-34.7	0	0	0	110.6	P627	P625-P627 WeakPolarHBondContact O-CD 3.49Å; P625-P627 VanDerWaalsContact O-N 3.15Å
626	K	79.9	Confident	84.5	Confident	209 Å²	209	82.8 Å²	82.8	91%	0.909	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-58.1	119.1	170.6	-66.7	179.2	-178.1	175.9	0	108.2
627	P	79.8	Confident	84.6	Confident	56 Å²	56	82.7 Å²	82.7	36%	0.364	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-74	132.8	-177.2	30.1	-34.4	0	0	0	110	W578 I616 P625 V629	W578-P627 HydrophobicContact CZ2-CG 4.21Å; I616-P627 HydrophobicContact CG2-CB 3.83Å; I616-P627 HydrophobicContact CG2-CG 4Å; P625-P627 WeakPolarHBondContact O-CD 3.49Å; P625-P627 VanDerWaalsContact O-N 3.15Å; P627-V629 HydrophobicContact CB-CG2 3.92Å; P627-V629 HydrophobicContact CG-CG2 4.13Å
628	D	76.8	Confident	84.9	Confident	160 Å²	160	83.4 Å²	83.4	86%	0.856	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-74.8	128.5	163.5	-178.9	24.7	0	0	0	109
629	V	83.1	Confident	85.2	Confident	30 Å²	30	80.6 Å²	80.6	18%	0.182	42%	0.418	C	S	.	.			trans	-144.6	125.4	-164.5	172.5	0	0	0	0	111.3	W578 P612 P627 Y631	W578-V629 HydrophobicContact CH2-CG1 4.12Å; W578-V629 HydrophobicContact CH2-CG2 3.92Å; W578-V629 HydrophobicContact CZ2-CG2 3.93Å; P612-V629 HydrophobicContact CB-CG1 3.68Å; P627-V629 HydrophobicContact CB-CG2 3.92Å; P627-V629 HydrophobicContact CG-CG2 4.13Å; V629-Y631 HydrophobicContact CG1-CD1 3.95Å; V629-Y631 HydrophobicContact CG1-CD2 4.41Å; V629-Y631 HydrophobicContact CG1-CE1 3.6Å; V629-Y631 HydrophobicContact CG1-CE2 4.09Å; V629-Y631 HydrophobicContact CG1-CG 4.34Å
630	T	83.9	Confident	85.3	Confident	85 Å²	85	78 Å²	78	52%	0.521	41%	0.412	S	S	.	.			trans	-105.4	139.4	157.2	58.7	0	0	0	0	109.7	P612 N613	P612-T630 CarbonylContact C-O 3.19Å; P612-T630 WeakPolarHBondContact CA-O 3.39Å; N613-T630 VanDerWaalsContact CG-OG1 3.32Å; N613-T630 PolarHBondContact N-O 2.86Å; N613-T630 PolarHBondContact ND2-OG1 2.79Å; N613-T630 VanDerWaalsContact ND2-OG1 3.09Å; N613-T630 PolarHBondContact OD1-O 2.82Å
631	Y	88.7	Confident	85.4	Confident	105 Å²	105	83.7 Å²	83.7	41%	0.412	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.2	179.9	-61.4	-74	0	0	0	110.5	W578 Y599 K611 V629	W578-Y631 HydrophobicContact CH2-CE1 4.14Å; Y599-Y631 HydrophobicContact CD1-CE1 4.44Å; Y599-Y631 WeakPolarHBondContact CD1-OH 3.38Å; Y599-Y631 HydrophobicContact CG-CE1 4.25Å; K611-Y631 CarbonylContact O-C 3.43Å; K611-Y631 WeakPolarHBondContact O-CA 3.34Å; V629-Y631 HydrophobicContact CG1-CD1 3.95Å; V629-Y631 HydrophobicContact CG1-CD2 4.41Å; V629-Y631 HydrophobicContact CG1-CE1 3.6Å; V629-Y631 HydrophobicContact CG1-CE2 4.09Å; V629-Y631 HydrophobicContact CG1-CG 4.34Å
632	I	87.6	Confident	85.7	Confident	130 Å²	130	81.5 Å²	81.5	67%	0.667	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	-33.2	-179.2	-65.3	-173.9	0	0	0	111.9	K611 N613	K611-I632 PolarHBondContact O-N 2.84Å; N613-I632 HydrophobicContact CB-CD1 3.74Å; N613-I632 HydrophobicContact CB-CG1 3.92Å
633	S	86.6	Confident	86.2	Confident	54 Å²	54	86.8 Å²	86.8	38%	0.378	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	149.5	180	56.4	0	0	0	0	111.2	K611	K611-S633 PolarHBondContact N-O 3.36Å
634	Q	91.9	Very high	86.8	Confident	110 Å²	110	81.6 Å²	81.6	51%	0.514	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.9	176.4	-178.5	175.6	-24.9	0	0	108.8	L609 I636	L609-Q634 CarbonylContact O-C 3.55Å; L609-Q634 WeakPolarHBondContact O-CA 3.45Å; Q634-I636 HydrophobicContact CG-CG1 4.3Å
635	K	91.2	Very high	87.2	Confident	70 Å²	70	81 Å²	81	30%	0.304	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	148.7	166.7	-46.8	-173.1	-170.5	168.5	0	108.6	E581 R608 L609 Y637	E581-K635 IonicContact OE1-NZ 4Å; E581-K635 PolarHBondContact OE1-NZ 3.48Å; R608-K635 WeakPolarHBondContact CA-O 3.45Å; L609-K635 HydrophobicContact CB-CB 4.36Å; L609-K635 PolarHBondContact N-O 2.76Å; L609-K635 PolarHBondContact O-N 3.04Å; K635-Y637 HydrophobicContact CB-CE2 3.84Å; K635-Y637 HydrophobicContact CD-CE2 4.07Å; K635-Y637 WeakPolarHBondContact CD-OH 3.18Å
636	I	91.9	Very high	87.7	Confident	90 Å²	90	76.7 Å²	76.7	46%	0.462	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.5	174.8	-56	178.8	0	0	0	107.4	V606 L607 R608 Q634	V606-I636 HydrophobicContact CG1-CG2 3.63Å; L607-I636 CarbonylContact O-C 3.39Å; L607-I636 WeakPolarHBondContact O-CA 3.29Å; R608-I636 HydrophobicContact CB-CG1 4.49Å; R608-I636 HydrophobicContact CG-CG1 4.39Å; R608-I636 HydrophobicContact CG-CG2 4.48Å; Q634-I636 HydrophobicContact CG-CG1 4.3Å
637	Y	90.7	Very high	88	Confident	21 Å²	21	68.6 Å²	68.6	8%	0.082	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145	-180	-54.6	-67.2	0	0	0	109.8	L607 L609 K635 L667 L724 I726	L607-Y637 PolarHBondContact N-O 2.73Å; L607-Y637 PolarHBondContact O-N 2.85Å; L609-Y637 HydrophobicContact CD1-CD2 4.43Å; L609-Y637 HydrophobicContact CD1-CE2 3.91Å; L609-Y637 HydrophobicContact CG-CD2 4.49Å; L609-Y637 HydrophobicContact CG-CE2 4.32Å; K635-Y637 HydrophobicContact CB-CE2 3.84Å; K635-Y637 HydrophobicContact CD-CE2 4.07Å; K635-Y637 WeakPolarHBondContact CD-OH 3.18Å; Y637-L667 HydrophobicContact CD1-CD1 3.44Å; Y637-L667 VanDerWaalsContact CD1-CD1 3.44Å; Y637-L667 HydrophobicContact CE1-CD1 3.86Å; Y637-L667 HydrophobicContact CG-CD1 3.77Å; Y637-L724 HydrophobicContact CD1-CD2 4.36Å; Y637-L724 HydrophobicContact CE1-CD2 3.5Å; Y637-I726 HydrophobicContact CD2-CD1 3.51Å; Y637-I726 HydrophobicContact CE1-CD1 4.48Å; Y637-I726 HydrophobicContact CE2-CD1 3.33Å; Y637-I726 HydrophobicContact CE2-CG1 4.36Å; Y637-I726 HydrophobicContact CG-CD1 4.13Å
638	D	91.2	Very high	88.2	Confident	74 Å²	74	67.4 Å²	67.4	40%	0.396	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.5	162.2	-168.8	-6.1	0	0	0	108.8	S605 T640	S605-D638 WeakPolarHBondContact CB-OD1 3.43Å; S605-D638 PolarHBondContact OG-OD1 3.06Å; D638-T640 WeakPolarHBondContact OD1-CB 3.4Å; D638-T640 PolarHBondContact OD1-N 3.01Å; D638-T640 PolarHBondContact OD1-OG1 3.46Å; D638-T640 PolarHBondContact OD2-OG1 3.26Å
639	L	90.6	Very high	88.1	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.329	C	S	.	.			trans	-94.2	-4	176.2	-63.4	-174.2	0	0	0	113.6	L602 S605 L607 D641 S642 I665 L667 F743 A746 S747	L602-L639 HydrophobicContact CD1-CD1 3.74Å; S605-L639 VanDerWaalsContact O-CB 3.29Å; S605-L639 WeakPolarHBondContact O-CB 3.33Å; S605-L639 WeakPolarHBondContact O-CG 3.39Å; S605-L639 PolarHBondContact O-N 2.87Å; L607-L639 HydrophobicContact CB-CD1 4.03Å; L607-L639 HydrophobicContact CB-CD2 4.1Å; L607-L639 HydrophobicContact CB-CG 3.88Å; L607-L639 HydrophobicContact CD2-CD1 4.35Å; L607-L639 HydrophobicContact CD2-CD2 3.93Å; L607-L639 HydrophobicContact CD2-CG 4.46Å; L639-D641 PolarHBondContact O-N 2.91Å; L639-S642 WeakPolarHBondContact O-CB 3.35Å; L639-S642 PolarHBondContact O-N 3.31Å; L639-S642 PolarHBondContact O-OG 3.37Å; L639-S642 VanDerWaalsContact O-OG 3.13Å; L639-I665 HydrophobicContact CD2-CD1 4.44Å; L639-I665 HydrophobicContact CD2-CG2 3.78Å; L639-L667 HydrophobicContact CD2-CD2 3.69Å; L639-F743 HydrophobicContact CD1-CB 4.32Å; L639-F743 HydrophobicContact CD1-CD1 3.79Å; L639-F743 HydrophobicContact CD1-CG 4.38Å; L639-A746 HydrophobicContact CB-CB 4.47Å; L639-A746 HydrophobicContact CD1-CB 4.09Å; L639-S747 WeakPolarHBondContact O-CA 3.24Å; L639-S747 WeakPolarHBondContact O-CB 3.32Å
640	T	89.1	Confident	87.8	Confident	28 Å²	28	70.2 Å²	70.2	17%	0.172	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	131.6	177.2	-55.2	0	0	0	0	111	S605 D638 S642 A668	S605-T640 WeakPolarHBondContact CB-OG1 3.28Å; S605-T640 PolarHBondContact OG-OG1 3.31Å; D638-T640 WeakPolarHBondContact OD1-CB 3.4Å; D638-T640 PolarHBondContact OD1-N 3.01Å; D638-T640 PolarHBondContact OD1-OG1 3.46Å; D638-T640 PolarHBondContact OD2-OG1 3.26Å; T640-S642 PolarHBondContact O-N 2.91Å; T640-S642 PolarHBondContact O-OG 3.08Å; T640-A668 WeakPolarHBondContact O-CB 3.41Å
641	D	87.3	Confident	87.6	Confident	126 Å²	126	67.6 Å²	67.6	67%	0.674	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	10.6	-176.9	-64.3	-50.8	0	0	0	116.4	L639 A668 S747	L639-D641 PolarHBondContact O-N 2.91Å; D641-A668 HydrophobicContact CB-CB 4.31Å; D641-S747 PolarHBondContact N-O 2.78Å; D641-S747 VanDerWaalsContact N-O 3.13Å
642	S	90.3	Very high	87.1	Confident	4 Å²	4	64.7 Å²	64.7	3%	0.028	33%	0.334	C	S	.	.			trans	-78.6	142.3	-178	-59.9	0	0	0	0	112.3	L639 T640 E666 A668 S747	L639-S642 WeakPolarHBondContact O-CB 3.35Å; L639-S642 PolarHBondContact O-N 3.31Å; L639-S642 PolarHBondContact O-OG 3.37Å; L639-S642 VanDerWaalsContact O-OG 3.13Å; T640-S642 PolarHBondContact O-N 2.91Å; T640-S642 PolarHBondContact O-OG 3.08Å; S642-E666 WeakPolarHBondContact CB-O 3.48Å; S642-A668 PolarHBondContact OG-N 2.95Å; S642-S747 WeakPolarHBondContact O-CB 3.22Å; S642-S747 PolarHBondContact O-OG 3.17Å; S642-S747 VanDerWaalsContact O-OG 3.11Å
643	R	89.5	Confident	86.5	Confident	179 Å²	179	64.5 Å²	64.5	68%	0.675	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	124.5	-176	-63.1	169.3	173.4	177.3	0.3	110.5	E666	R643-E666 HydrophobicContact CB-CB 4.15Å; R643-E666 WeakPolarHBondContact CD-OE2 3.39Å; R643-E666 PolarHBondContact N-O 2.96Å; R643-E666 IonicContact NH1-OE2 2.77Å; R643-E666 PolarHBondContact O-N 3.2Å
644	I	91.9	Very high	85.9	Confident	18 Å²	18	66.7 Å²	66.7	9%	0.092	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.8	-175	-63.3	146.9	0	0	0	109.1	I663 C664 I665 F740 F743	I644-I663 HydrophobicContact CG2-CG2 3.91Å; I644-C664 WeakPolarHBondContact CA-O 3.39Å; I644-I665 HydrophobicContact CG1-CB 4.48Å; I644-I665 HydrophobicContact CG1-CG1 4.24Å; I644-I665 HydrophobicContact CG1-CG2 4.07Å; I644-F740 HydrophobicContact CG2-CD2 3.96Å; I644-F740 HydrophobicContact CG2-CE2 3.72Å; I644-F740 HydrophobicContact CG2-CZ 4.42Å; I644-F743 VanDerWaalsContact CD1-C 3.42Å; I644-F743 HydrophobicContact CD1-CB 3.71Å; I644-F743 WeakPolarHBondContact CD1-O 3.44Å; I644-F743 HydrophobicContact CG1-CB 4.34Å; I644-F743 HydrophobicContact CG2-CB 4.19Å
645	Y	90.4	Very high	85.5	Confident	48 Å²	48	64.3 Å²	64.3	19%	0.188	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	174.4	-177.6	60.7	-79.7	0	0	0	110.7	M647 Q649 C664 E666	Y645-M647 HydrophobicContact CD2-CG 4.05Å; Y645-M647 HydrophobicContact CD2-SD 4.4Å; Y645-M647 HydrophobicContact CE2-CG 3.58Å; Y645-M647 HydrophobicContact CE2-SD 3.79Å; Y645-Q649 HydrophobicContact CD2-CG 4.02Å; Y645-Q649 HydrophobicContact CE2-CG 4.32Å; Y645-C664 HydrophobicContact CD1-CB 4.28Å; Y645-C664 HydrophobicContact CD2-CB 4.12Å; Y645-C664 HydrophobicContact CE1-CB 3.95Å; Y645-C664 HydrophobicContact CE2-CB 3.82Å; Y645-C664 HydrophobicContact CG-CB 4.33Å; Y645-C664 VanDerWaalsContact CZ-SG 3.55Å; Y645-C664 PolarHBondContact N-O 2.98Å; Y645-C664 VanDerWaalsContact N-O 3.1Å; Y645-C664 PolarHBondContact O-N 3.15Å; Y645-C664 PolarHBondContact OH-SG 3.04Å; Y645-E666 HydrophobicContact CE1-CG 3.88Å; Y645-E666 PolarHBondContact OH-OE1 3.47Å; Y645-E666 VanDerWaalsContact OH-OE1 3.11Å
646	L	90.1	Very high	85.1	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.073	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.5	179.8	-62.4	178.9	0	0	0	110.8	P648 V656 W657 I663 F740 M1154	L646-P648 CarbonylContact O-C 3.59Å; L646-V656 HydrophobicContact CD1-CG1 3.37Å; L646-W657 HydrophobicContact CD1-CE3 4.04Å; L646-W657 HydrophobicContact CD1-CH2 4.27Å; L646-W657 HydrophobicContact CD1-CZ3 3.66Å; L646-W657 HydrophobicContact CD2-CZ3 4.43Å; L646-I663 HydrophobicContact CD2-CB 4.21Å; L646-I663 HydrophobicContact CD2-CG1 3.67Å; L646-F740 HydrophobicContact CD2-CD2 3.59Å; L646-F740 HydrophobicContact CD2-CE2 4.02Å; L646-F740 HydrophobicContact CD2-CG 4.43Å; L646-F740 HydrophobicContact CG-CD2 3.96Å; L646-F740 HydrophobicContact CG-CE2 3.93Å; L646-M1154 HydrophobicContact CD1-CE 3.41Å; L646-M1154 VanDerWaalsContact CD1-CE 3.41Å; L646-M1154 HydrophobicContact CD1-SD 4.3Å; L646-M1154 HydrophobicContact CG-CE 3.99Å
647	M	84.5	Confident	85	Confident	39 Å²	39	57.7 Å²	57.7	19%	0.192	28%	0.283	C	S	.	.	S	Bend	trans	-121	134.1	-177.9	-84	-69.3	-87	0	0	111.9	Y585 Y645 Q649 Y661 P662 C664	Y585-M647 HydrophobicContact CD1-CB 4.25Å; Y585-M647 HydrophobicContact CE1-CB 4.08Å; Y645-M647 HydrophobicContact CD2-CG 4.05Å; Y645-M647 HydrophobicContact CD2-SD 4.4Å; Y645-M647 HydrophobicContact CE2-CG 3.58Å; Y645-M647 HydrophobicContact CE2-SD 3.79Å; M647-Q649 HydrophobicContact SD-CG 4.04Å; M647-Y661 WeakPolarHBondContact O-CB 3.36Å; M647-P662 HydrophobicContact CB-CG 4.24Å; M647-P662 PolarHBondContact N-O 2.83Å; M647-P662 WeakPolarHBondContact O-CD 3.38Å; M647-C664 HydrophobicContact CG-CB 4.01Å
648	P	84.8	Confident	84.8	Confident	30 Å²	30	58.9 Å²	58.9	20%	0.195	29%	0.29	C	S	.	.	S	Bend	cis	-64.5	151.5	-7.2	-22.3	34.7	0	0	0	113.9	P587 L646 S650 L651	P587-P648 HydrophobicContact CB-CG 4.1Å; P587-P648 HydrophobicContact CG-CG 4.08Å; L646-P648 CarbonylContact O-C 3.59Å; P648-S650 PolarHBondContact O-N 3.02Å; P648-L651 WeakPolarHBondContact O-CD1 3.38Å; P648-L651 VanDerWaalsContact O-CG 3.25Å; P648-L651 WeakPolarHBondContact O-CG 3.28Å; P648-L651 PolarHBondContact O-N 3.21Å
649	Q	74.9	Confident	84.6	Confident	151 Å²	151	57.8 Å²	57.8	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.5	178.9	-68.6	170.9	-10.1	0	0	113.1	Y645 M647 L651	Y645-Q649 HydrophobicContact CD2-CG 4.02Å; Y645-Q649 HydrophobicContact CE2-CG 4.32Å; M647-Q649 HydrophobicContact SD-CG 4.04Å; Q649-L651 VanDerWaalsContact C-N 3.32Å; Q649-L651 PolarHBondContact O-N 2.82Å
650	S	76.3	Confident	84.3	Confident	99 Å²	99	60.7 Å²	60.7	69%	0.692	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	24	-178.6	53.5	0	0	0	0	114.7	P648 A652	P648-S650 PolarHBondContact O-N 3.02Å; S650-A652 PolarHBondContact O-N 3.24Å
651	L	80.5	Confident	84.3	Confident	29 Å²	29	61.1 Å²	61.1	15%	0.152	29%	0.294	C	S	.	.			trans	-70	116.1	178.3	-76.4	169.4	0	0	0	112	P648 Q649 R653 R655 V656 Y661	P648-L651 WeakPolarHBondContact O-CD1 3.38Å; P648-L651 VanDerWaalsContact O-CG 3.25Å; P648-L651 WeakPolarHBondContact O-CG 3.28Å; P648-L651 PolarHBondContact O-N 3.21Å; Q649-L651 VanDerWaalsContact C-N 3.32Å; Q649-L651 PolarHBondContact O-N 2.82Å; L651-R653 PolarHBondContact O-N 2.8Å; L651-R655 HydrophobicContact CD2-CB 4.32Å; L651-V656 HydrophobicContact CB-CG2 4.46Å; L651-Y661 HydrophobicContact CD1-CD1 4.22Å; L651-Y661 HydrophobicContact CD1-CD2 3.77Å; L651-Y661 HydrophobicContact CD1-CE2 4.38Å; L651-Y661 HydrophobicContact CD1-CG 3.69Å; L651-Y661 HydrophobicContact CD2-CD1 4.19Å; L651-Y661 HydrophobicContact CD2-CD2 3.74Å; L651-Y661 HydrophobicContact CD2-CE1 3.93Å; L651-Y661 HydrophobicContact CD2-CE2 3.46Å; L651-Y661 VanDerWaalsContact CD2-CE2 3.46Å; L651-Y661 HydrophobicContact CD2-CG 4.11Å; L651-Y661 HydrophobicContact CG-CD2 4.44Å
652	A	78.1	Confident	84.6	Confident	45 Å²	45	55.1 Å²	55.1	37%	0.372	26%	0.262	S	S	.	.			trans	-49.9	136.7	170.1	0	0	0	0	0	111.4	S650 K654 R655	S650-A652 PolarHBondContact O-N 3.24Å; A652-K654 VanDerWaalsContact C-N 3.29Å; A652-K654 PolarHBondContact O-N 2.75Å; A652-R655 PolarHBondContact O-N 2.7Å
653	R	75.5	Confident	84.8	Confident	126 Å²	126	55 Å²	55	48%	0.475	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-42.9	-48.3	-166.5	-74.9	-172.5	172.5	-157.5	-5.8	113.9	L651 R655 V656 R1092 D1155	L651-R653 PolarHBondContact O-N 2.8Å; R653-R655 PolarHBondContact O-N 3.14Å; R653-R655 VanDerWaalsContact O-N 3.15Å; R653-V656 WeakPolarHBondContact O-CB 3.33Å; R653-V656 WeakPolarHBondContact O-CG2 3.34Å; R653-V656 PolarHBondContact O-N 3.01Å; R653-R1092 PolarHBondContact O-NH2 3.16Å; R653-D1155 IonicContact CZ-OD2 2.65Å; R653-D1155 IonicContact NH2-OD2 3.68Å; R653-D1155 PolarHBondContact NH2-OD2 3.26Å
654	K	74.2	Confident	84.9	Confident	100 Å²	100	46.4 Å²	46.4	44%	0.435	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-56.2	-31.3	179	-171.8	173.2	176.2	-178.6	0	114.4	A652 E997 R1092	A652-K654 VanDerWaalsContact C-N 3.29Å; A652-K654 PolarHBondContact O-N 2.75Å; K654-E997 IonicContact NZ-OE2 3.21Å; K654-E997 PolarHBondContact NZ-OE2 3.47Å; K654-R1092 PolarHBondContact O-NH1 3.13Å
655	R	82.1	Confident	85	Confident	60 Å²	60	45.6 Å²	45.6	23%	0.226	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-92	-6.7	-175	-58	-174	-172	160.7	8.7	114.8	L651 A652 R653 W657 N658 Y661 S994 E996	L651-R655 HydrophobicContact CD2-CB 4.32Å; A652-R655 PolarHBondContact O-N 2.7Å; R653-R655 PolarHBondContact O-N 3.14Å; R653-R655 VanDerWaalsContact O-N 3.15Å; R655-W657 PolarHBondContact O-N 3.19Å; R655-N658 WeakPolarHBondContact O-CB 3.48Å; R655-N658 PolarHBondContact O-N 3.07Å; R655-Y661 HydrophobicContact CB-CE2 4.5Å; R655-S994 PolarHBondContact NH2-O 3.42Å; R655-S994 VanDerWaalsContact NH2-O 3.13Å; R655-E996 PolarHBondContact NH2-O 2.94Å
656	V	84	Confident	85	Confident	14 Å²	14	45.9 Å²	45.9	9%	0.085	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-52.8	-175.3	169.6	0	0	0	0	112.9	L646 L651 R653 N658 K736 M1154	L646-V656 HydrophobicContact CD1-CG1 3.37Å; L651-V656 HydrophobicContact CB-CG2 4.46Å; R653-V656 WeakPolarHBondContact O-CB 3.33Å; R653-V656 WeakPolarHBondContact O-CG2 3.34Å; R653-V656 PolarHBondContact O-N 3.01Å; V656-N658 VanDerWaalsContact C-N 3.28Å; V656-N658 PolarHBondContact O-N 2.8Å; V656-K736 PolarHBondContact O-NZ 2.88Å; V656-M1154 HydrophobicContact CG1-CE 4.31Å; V656-M1154 HydrophobicContact CG1-CG 4.34Å
657	W	88.4	Confident	85	Confident	6 Å²	6	45.5 Å²	45.5	2%	0.023	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	9.1	-179.3	-56.9	139.3	0	0	0	115.1	L646 R655 K659 G733 K736 E737 F740 R1092 W1094 M1154	L646-W657 HydrophobicContact CD1-CE3 4.04Å; L646-W657 HydrophobicContact CD1-CH2 4.27Å; L646-W657 HydrophobicContact CD1-CZ3 3.66Å; L646-W657 HydrophobicContact CD2-CZ3 4.43Å; R655-W657 PolarHBondContact O-N 3.19Å; W657-K659 PolarHBondContact O-N 3.47Å; W657-G733 VanDerWaalsContact O-CA 3.24Å; W657-G733 WeakPolarHBondContact O-CA 3.11Å; W657-K736 HydrophobicContact CE3-CD 4.46Å; W657-K736 HydrophobicContact CE3-CG 4.35Å; W657-E737 HydrophobicContact CD2-CB 3.69Å; W657-E737 HydrophobicContact CD2-CG 4.13Å; W657-E737 HydrophobicContact CE3-CB 4Å; W657-E737 HydrophobicContact CG-CB 4.05Å; W657-E737 HydrophobicContact CH2-CB 4.37Å; W657-E737 HydrophobicContact CH2-CG 4.2Å; W657-E737 HydrophobicContact CZ2-CB 4.06Å; W657-E737 HydrophobicContact CZ2-CG 3.62Å; W657-E737 HydrophobicContact CZ3-CB 4.33Å; W657-E737 PolarHBondContact NE1-OE1 2.81Å; W657-E737 PolarHBondContact NE1-OE2 2.82Å; W657-F740 HydrophobicContact CH2-CB 3.93Å; W657-F740 AromaticContact CH2-CD1 3.62Å; W657-F740 HydrophobicContact CH2-CD1 3.62Å; W657-F740 HydrophobicContact CH2-CE1 4.38Å; W657-F740 AromaticContact CH2-CG 3.82Å; W657-F740 HydrophobicContact CH2-CG 3.82Å; W657-F740 HydrophobicContact CZ3-CB 3.62Å; W657-F740 HydrophobicContact CZ3-CD1 4.1Å; W657-F740 HydrophobicContact CZ3-CD2 4.45Å; W657-F740 AromaticContact CZ3-CG 3.79Å; W657-F740 HydrophobicContact CZ3-CG 3.79Å; W657-R1092 VanDerWaalsContact CD1-CZ 3.44Å; W657-R1092 VanDerWaalsContact CD1-NE 3.29Å; W657-W1094 HydrophobicContact CB-CH2 4.15Å; W657-W1094 HydrophobicContact CB-CZ2 4.17Å; W657-W1094 AromaticContact CD1-CZ2 3.97Å; W657-W1094 HydrophobicContact CG-CZ2 4.32Å; W657-M1154 HydrophobicContact CH2-CE 3.42Å; W657-M1154 VanDerWaalsContact CH2-CE 3.42Å; W657-M1154 HydrophobicContact CZ2-CE 4.08Å; W657-M1154 HydrophobicContact CZ3-CE 4.02Å
658	N	86.2	Confident	85	Confident	46 Å²	46	45.3 Å²	45.3	25%	0.246	23%	0.23	C	C	.	.			trans	-69.1	126.1	-179.3	-176.7	-27.4	0	0	0	111.6	R655 V656 K660 Y661	R655-N658 WeakPolarHBondContact O-CB 3.48Å; R655-N658 PolarHBondContact O-N 3.07Å; V656-N658 VanDerWaalsContact C-N 3.28Å; V656-N658 PolarHBondContact O-N 2.8Å; N658-K660 PolarHBondContact O-N 2.98Å; N658-K660 WeakPolarHBondContact OD1-CB 3.44Å; N658-K660 PolarHBondContact OD1-N 3.44Å; N658-Y661 HydrophobicContact CB-CD2 3.96Å; N658-Y661 HydrophobicContact CB-CE2 4.24Å; N658-Y661 PolarHBondContact O-N 3.37Å
659	K	87.1	Confident	84.5	Confident	52 Å²	52	52.7 Å²	52.7	23%	0.226	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	8.5	174.3	60	-177.1	169.6	-170.9	0	116.7	W657 R731 N1141	W657-K659 PolarHBondContact O-N 3.47Å; K659-R731 WeakPolarHBondContact CD-O 3.41Å; K659-N1141 PolarHBondContact NZ-OD1 2.7Å
660	K	84.2	Confident	84	Confident	61 Å²	61	49.9 Å²	49.9	27%	0.265	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-21	165.2	-174.7	171.5	-175	176.3	0	112.7	Y590 N658 F729 S1000	Y590-K660 HydrophobicContact CE1-CG 4.2Å; Y590-K660 VanDerWaalsContact CE1-O 3.31Å; Y590-K660 WeakPolarHBondContact CE1-O 3.47Å; N658-K660 PolarHBondContact O-N 2.98Å; N658-K660 WeakPolarHBondContact OD1-CB 3.44Å; N658-K660 PolarHBondContact OD1-N 3.44Å; K660-F729 WeakPolarHBondContact O-CE1 3.43Å; K660-S1000 VanDerWaalsContact CD-O 3.29Å; K660-S1000 WeakPolarHBondContact CD-O 3.47Å; K660-S1000 WeakPolarHBondContact CE-O 3.31Å; K660-S1000 PolarHBondContact NZ-O 2.87Å
661	Y	90.2	Very high	82.8	Confident	37 Å²	37	52.3 Å²	52.3	15%	0.145	25%	0.246	C	C	.	.	S	Bend	trans	-115.4	132.8	-168.8	-60.9	-61.1	0	0	0	110.5	M647 L651 R655 N658 K736	M647-Y661 WeakPolarHBondContact O-CB 3.36Å; L651-Y661 HydrophobicContact CD1-CD1 4.22Å; L651-Y661 HydrophobicContact CD1-CD2 3.77Å; L651-Y661 HydrophobicContact CD1-CE2 4.38Å; L651-Y661 HydrophobicContact CD1-CG 3.69Å; L651-Y661 HydrophobicContact CD2-CD1 4.19Å; L651-Y661 HydrophobicContact CD2-CD2 3.74Å; L651-Y661 HydrophobicContact CD2-CE1 3.93Å; L651-Y661 HydrophobicContact CD2-CE2 3.46Å; L651-Y661 VanDerWaalsContact CD2-CE2 3.46Å; L651-Y661 HydrophobicContact CD2-CG 4.11Å; L651-Y661 HydrophobicContact CG-CD2 4.44Å; R655-Y661 HydrophobicContact CB-CE2 4.5Å; N658-Y661 HydrophobicContact CB-CD2 3.96Å; N658-Y661 HydrophobicContact CB-CE2 4.24Å; N658-Y661 PolarHBondContact O-N 3.37Å; Y661-K736 WeakPolarHBondContact O-CE 3.27Å; Y661-K736 PolarHBondContact O-NZ 3.06Å
662	P	93.4	Very high	81.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.9	164.7	-178.2	31.3	-34.1	0	0	0	112.5	Y585 M647 Y727 L728 F729	Y585-P662 HydrophobicContact CD1-CG 3.65Å; Y585-P662 HydrophobicContact CD2-CG 3.99Å; Y585-P662 HydrophobicContact CE1-CG 3.69Å; Y585-P662 HydrophobicContact CE2-CG 4.02Å; Y585-P662 HydrophobicContact CG-CG 3.81Å; M647-P662 HydrophobicContact CB-CG 4.24Å; M647-P662 PolarHBondContact N-O 2.83Å; M647-P662 WeakPolarHBondContact O-CD 3.38Å; P662-Y727 HydrophobicContact CG-CD1 4.19Å; P662-L728 CarbonylContact C-O 3.6Å; P662-L728 WeakPolarHBondContact CA-O 3.36Å; P662-F729 HydrophobicContact CB-CD1 4.09Å; P662-F729 HydrophobicContact CB-CD2 4.31Å; P662-F729 HydrophobicContact CB-CE1 3.83Å; P662-F729 HydrophobicContact CB-CE2 4.06Å; P662-F729 HydrophobicContact CB-CG 4.33Å; P662-F729 HydrophobicContact CB-CZ 3.82Å; P662-F729 VanDerWaalsContact CD-CE1 3.47Å; P662-F729 HydrophobicContact CG-CE1 4.05Å; P662-F729 HydrophobicContact CG-CZ 3.99Å
663	I	93.6	Very high	79.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.1	151.1	-59.1	163.6	0	0	0	106.5	M579 I644 L646 I665 Y727 L728 K736 W739 F740 F743	M579-I663 HydrophobicContact CE-CD1 4.09Å; I644-I663 HydrophobicContact CG2-CG2 3.91Å; L646-I663 HydrophobicContact CD2-CB 4.21Å; L646-I663 HydrophobicContact CD2-CG1 3.67Å; I663-I665 HydrophobicContact CG2-CG1 4.33Å; I663-Y727 WeakPolarHBondContact O-CA 3.43Å; I663-L728 PolarHBondContact N-O 3.48Å; I663-L728 PolarHBondContact O-N 2.92Å; I663-K736 HydrophobicContact CD1-CG 4.05Å; I663-K736 HydrophobicContact CG1-CG 4.04Å; I663-W739 HydrophobicContact CD1-CB 3.98Å; I663-F740 HydrophobicContact CD1-CB 4Å; I663-F740 HydrophobicContact CG1-CB 4.36Å; I663-F740 HydrophobicContact CG1-CD2 4.33Å; I663-F740 HydrophobicContact CG2-CD2 4.06Å; I663-F743 HydrophobicContact CD1-CD2 4.32Å; I663-F743 HydrophobicContact CD1-CE2 4.15Å; I663-F743 HydrophobicContact CG2-CD2 4.21Å
664	C	92.9	Very high	78.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.8	171.6	-159.5	0	0	0	0	109	I644 Y645 M647 T725 Y727	I644-C664 WeakPolarHBondContact CA-O 3.39Å; Y645-C664 HydrophobicContact CD1-CB 4.28Å; Y645-C664 HydrophobicContact CD2-CB 4.12Å; Y645-C664 HydrophobicContact CE1-CB 3.95Å; Y645-C664 HydrophobicContact CE2-CB 3.82Å; Y645-C664 HydrophobicContact CG-CB 4.33Å; Y645-C664 VanDerWaalsContact CZ-SG 3.55Å; Y645-C664 PolarHBondContact N-O 2.98Å; Y645-C664 VanDerWaalsContact N-O 3.1Å; Y645-C664 PolarHBondContact O-N 3.15Å; Y645-C664 PolarHBondContact OH-SG 3.04Å; M647-C664 HydrophobicContact CG-CB 4.01Å; C664-T725 WeakPolarHBondContact SG-CG2 3.19Å; C664-Y727 HydrophobicContact CB-CD1 4.45Å; C664-Y727 HydrophobicContact CB-CE1 4.38Å; C664-Y727 WeakPolarHBondContact SG-CE1 3.46Å
665	I	93.5	Very high	76.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	104	171.9	-50.6	-178.7	0	0	0	106.7	L607 L639 I644 I663 L667 T725 I726 L728 F743	L607-I665 HydrophobicContact CD2-CD1 3.96Å; L639-I665 HydrophobicContact CD2-CD1 4.44Å; L639-I665 HydrophobicContact CD2-CG2 3.78Å; I644-I665 HydrophobicContact CG1-CB 4.48Å; I644-I665 HydrophobicContact CG1-CG1 4.24Å; I644-I665 HydrophobicContact CG1-CG2 4.07Å; I663-I665 HydrophobicContact CG2-CG1 4.33Å; I665-L667 HydrophobicContact CG2-CD2 3.95Å; I665-L667 HydrophobicContact CG2-CG 4.49Å; I665-L667 PolarHBondContact O-N 3.33Å; I665-T725 CarbonylContact O-C 3.55Å; I665-T725 WeakPolarHBondContact O-CA 3.47Å; I665-I726 HydrophobicContact CB-CB 4.32Å; I665-I726 PolarHBondContact N-O 3.4Å; I665-I726 PolarHBondContact O-N 3.37Å; I665-L728 HydrophobicContact CD1-CD1 4.13Å; I665-F743 HydrophobicContact CD1-CD2 3.96Å; I665-F743 HydrophobicContact CD1-CE2 4.09Å; I665-F743 HydrophobicContact CD1-CG 4.23Å; I665-F743 HydrophobicContact CD1-CZ 4.47Å
666	E	91.6	Very high	74.7	Confident	55 Å²	55	66.9 Å²	66.9	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.2	163.4	-72.8	170.6	176.1	0	0	106.7	S642 R643 Y645	S642-E666 WeakPolarHBondContact CB-O 3.48Å; R643-E666 HydrophobicContact CB-CB 4.15Å; R643-E666 WeakPolarHBondContact CD-OE2 3.39Å; R643-E666 PolarHBondContact N-O 2.96Å; R643-E666 IonicContact NH1-OE2 2.77Å; R643-E666 PolarHBondContact O-N 3.2Å; Y645-E666 HydrophobicContact CE1-CG 3.88Å; Y645-E666 PolarHBondContact OH-OE1 3.47Å; Y645-E666 VanDerWaalsContact OH-OE1 3.11Å
667	L	89.8	Confident	72.8	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.031	35%	0.353	C	S	.	.			trans	-66.6	139.1	176.2	-67.5	175.3	0	0	0	110.6	Y637 L639 I665 L724 I726	Y637-L667 HydrophobicContact CD1-CD1 3.44Å; Y637-L667 VanDerWaalsContact CD1-CD1 3.44Å; Y637-L667 HydrophobicContact CE1-CD1 3.86Å; Y637-L667 HydrophobicContact CG-CD1 3.77Å; L639-L667 HydrophobicContact CD2-CD2 3.69Å; I665-L667 HydrophobicContact CG2-CD2 3.95Å; I665-L667 HydrophobicContact CG2-CG 4.49Å; I665-L667 PolarHBondContact O-N 3.33Å; L667-L724 HydrophobicContact CB-CB 4.49Å; L667-L724 WeakPolarHBondContact CB-O 3.21Å; L667-L724 HydrophobicContact CD1-CB 4.1Å; L667-L724 HydrophobicContact CD1-CD2 4Å; L667-L724 HydrophobicContact CD1-CG 4.02Å; L667-L724 WeakPolarHBondContact CG-O 3.22Å; L667-L724 PolarHBondContact N-O 2.68Å; L667-L724 VanDerWaalsContact N-O 3.1Å; L667-I726 HydrophobicContact CD1-CD1 3.94Å; L667-I726 HydrophobicContact CD1-CG1 4.49Å; L667-I726 HydrophobicContact CD2-CD1 4.44Å; L667-I726 HydrophobicContact CG-CD1 4.22Å
668	A	84.8	Confident	70.3	Confident	35 Å²	35	78.7 Å²	78.7	29%	0.289	39%	0.394	S	S	.	.			trans	-59.8	161.9	167.6	0	0	0	0	0	110.9	T640 D641 S642 Q670	T640-A668 WeakPolarHBondContact O-CB 3.41Å; D641-A668 HydrophobicContact CB-CB 4.31Å; S642-A668 PolarHBondContact OG-N 2.95Å; A668-Q670 PolarHBondContact O-N 2.8Å
669	K	74.1	Confident	68	Low	185 Å²	185	79.8 Å²	79.8	80%	0.804	42%	0.416	S	S	*	.			trans	-62.6	101	174.9	-69.4	-175.8	179.6	-178.7	0	109.7	E671	K669-E671 PolarHBondContact O-N 2.94Å
670	Q	64.6	Low	65.5	Low	92 Å²	92	86.2 Å²	86.2	43%	0.43	45%	0.447	S	S	.	.			trans	-63.8	128.9	175	-61.2	-173	-26.7	0	0	108.4	A668 D672	A668-Q670 PolarHBondContact O-N 2.8Å; Q670-D672 PolarHBondContact O-N 3.36Å
671	E	49.5	Very low	63.3	Low	149 Å²	149	94.5 Å²	94.5	70%	0.696	48%	0.476	S	S	*	.			trans	-62.1	120.3	162.1	-79.7	-161	-166	0	0	107.2	K669 F673 K676	K669-E671 PolarHBondContact O-N 2.94Å; E671-F673 PolarHBondContact O-N 3.42Å; E671-K676 IonicContact OE2-NZ 2.72Å; E671-K676 PolarHBondContact OE2-NZ 3.49Å
672	D	45.8	Very low	60.4	Low	110 Å²	110	98.7 Å²	98.7	59%	0.588	51%	0.511	S	S	*	.			trans	-63.6	85.7	176.9	-84.8	-51.8	0	0	0	109.8	Q670 M674 S675	Q670-D672 PolarHBondContact O-N 3.36Å; D672-M674 PolarHBondContact O-N 2.95Å; D672-S675 VanDerWaalsContact O-CB 3.29Å; D672-S675 WeakPolarHBondContact O-CB 3.34Å; D672-S675 PolarHBondContact O-N 3.3Å; D672-S675 PolarHBondContact O-OG 3.33Å
673	F	48	Very low	57.3	Low	174 Å²	174	108.4 Å²	108.4	76%	0.763	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-59.8	-23.1	-175.2	-152.9	-88	0	0	0	112.3	E671 S675	E671-F673 PolarHBondContact O-N 3.42Å; F673-S675 VanDerWaalsContact C-N 3.35Å
674	M	42.1	Very low	54.3	Low	154 Å²	154	113.5 Å²	113.5	76%	0.759	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-71.5	-23.1	173.8	-61.2	-170.4	-66.5	0	0	113.5	D672 K676 A677	D672-M674 PolarHBondContact O-N 2.95Å; M674-K676 PolarHBondContact O-N 3.5Å; M674-A677 WeakPolarHBondContact O-CB 3.45Å; M674-A677 PolarHBondContact O-N 3.47Å; M674-A677 VanDerWaalsContact O-N 3.12Å
675	S	45.7	Very low	51.2	Low	84 Å²	84	117.1 Å²	117.1	59%	0.587	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-65.7	-24.9	178	67.2	0	0	0	0	113.5	D672 F673	D672-S675 VanDerWaalsContact O-CB 3.29Å; D672-S675 WeakPolarHBondContact O-CB 3.34Å; D672-S675 PolarHBondContact O-N 3.3Å; D672-S675 PolarHBondContact O-OG 3.33Å; F673-S675 VanDerWaalsContact C-N 3.35Å
676	K	39.2	Very low	48.2	Very low	144 Å²	144	124.8 Å²	124.8	63%	0.626	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-82.3	-10	176.2	-73.8	168.4	179.7	155.6	0	113.2	E671 M674	E671-K676 IonicContact OE2-NZ 2.72Å; E671-K676 PolarHBondContact OE2-NZ 3.49Å; M674-K676 PolarHBondContact O-N 3.5Å
677	A	43.5	Very low	45.2	Very low	83 Å²	83	129.1 Å²	129.1	69%	0.686	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-21	-175.5	0	0	0	0	0	114.7	M674	M674-A677 WeakPolarHBondContact O-CB 3.45Å; M674-A677 PolarHBondContact O-N 3.47Å; M674-A677 VanDerWaalsContact O-N 3.12Å
678	E	37.1	Very low	42.2	Very low	186 Å²	186	138.3 Å²	138.3	87%	0.869	73%	0.731	S	S	*	*	S	Bend	trans	-103	-3.6	178.6	-65.8	-170.1	126.6	0	0	113.6	E680	E678-E680 PolarHBondContact O-N 3.48Å
679	G	37.8	Very low	39.4	Very low	69 Å²	69	142.8 Å²	142.8	71%	0.711	76%	0.755	S	S	*	*	S	Bend	trans	-77.4	-16.1	-174.7	0	0	0	0	0	116.2
680	E	33.4	Very low	36.9	Very low	186 Å²	186	140.5 Å²	140.5	87%	0.869	76%	0.757	S	S	*	*	S	Bend	trans	-106.7	47	-168.8	-156.7	179.6	-155	0	0	113.8	E678	E678-E680 PolarHBondContact O-N 3.48Å
681	R	38	Very low	35.1	Very low	236 Å²	236	139.8 Å²	139.8	89%	0.891	77%	0.774	S	S	*	*			trans	-160.4	82.8	166.8	-122	176.5	-164	-170.6	5.7	115.3
682	S	29.3	Very low	33.9	Very low	125 Å²	125	140.9 Å²	140.9	87%	0.874	78%	0.784	S	S	*	*			trans	179.6	90.1	141.2	-80.7	0	0	0	0	112.4
683	E	29.2	Very low	32.9	Very low	203 Å²	203	140.6 Å²	140.6	95%	0.949	79%	0.789	S	S	*	*			trans	-117	112.7	155.7	-79.3	-155	147.4	0	0	110
684	A	30.1	Very low	31.8	Very low	108 Å²	108	141.8 Å²	141.8	89%	0.893	80%	0.797	S	S	*	*			trans	169.3	126.4	153.7	0	0	0	0	0	109.1
685	G	28.6	Very low	31.1	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	80%	0.797	S	S	*	*			trans	149.1	52	172.2	0	0	0	0	0	118.9
686	D	30.4	Very low	30.1	Very low	160 Å²	160	146.2 Å²	146.2	86%	0.856	81%	0.809	S	S	*	*			trans	29.1	134.5	152.8	-62.7	-19.2	0	0	0	124.6
687	E	27.1	Very low	29.4	Very low	146 Å²	146	145.2 Å²	145.2	68%	0.682	81%	0.806	S	S	*	*			trans	59	99.7	139	-69.1	-132.3	108.7	0	0	122.7
688	R	28.1	Very low	28.6	Very low	199 Å²	199	150.5 Å²	150.5	75%	0.751	81%	0.808	S	S	*	*				72.5	105.6	105.6	-170	-176.7	-165.9	162.9	1.8	120.3
689	T	25.5	Very low	28	Very low	130 Å²	130	146.5 Å²	146.5	80%	0.798	80%	0.797	S	S	*	*				-169.9	117.8	126	15.5	0	0	0	0	109.1
690	T	22.5	Very low	27.4	Very low	136 Å²	136	149 Å²	149	83%	0.834	79%	0.794	S	S	*	*				66.5	109.2	93	-52	0	0	0	0	114.5
691	G	25.1	Very low	27.1	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	79%	0.793	S	S	*	*			trans	169.4	74.4	172.7	0	0	0	0	0	118.4
692	L	25.6	Very low	26.5	Very low	172 Å²	172	142.5 Å²	142.5	90%	0.901	79%	0.786	S	S	*	*			trans	2.6	125.9	154.4	-172	62.1	0	0	0	121
693	C	23.6	Very low	26.3	Very low	104 Å²	104	144.9 Å²	144.9	70%	0.703	78%	0.783	S	S	*	*			trans	-37.2	141.4	156.4	170.2	0	0	0	0	116.9
694	E	25.7	Very low	26.2	Very low	199 Å²	199	143.6 Å²	143.6	93%	0.93	78%	0.775	S	S	*	*			trans	-147	160.3	141.4	-144.3	165.8	-138.7	0	0	112.9
695	K	27	Very low	25.9	Very low	173 Å²	173	143.5 Å²	143.5	75%	0.752	77%	0.774	S	S	*	*			trans	-146.2	115.5	-165.1	174.6	-155.9	173.4	-169.2	0	111.8
696	L	25	Very low	25.6	Very low	159 Å²	159	147.9 Å²	147.9	83%	0.832	77%	0.774	S	S	*	*			trans	-156	130.7	168.2	-131.8	55.7	0	0	0	106.7
697	E	24.8	Very low	25.2	Very low	123 Å²	123	147 Å²	147	58%	0.575	77%	0.774	S	S	*	*				59.2	133.5	60.1	-67.9	-154.8	-168.9	0	0	113.4
698	R	26.6	Very low	25	Very low	193 Å²	193	145.4 Å²	145.4	73%	0.728	78%	0.777	S	S	*	*			cis	-165.2	162.1	3.2	-130.8	-176.4	170.8	111.3	-1.3	111.8
699	T	23.7	Very low	24.7	Very low	102 Å²	102	142.2 Å²	142.2	63%	0.626	78%	0.78	S	S	*	*			trans	74.9	116.7	138.3	-65.3	0	0	0	0	123.3
700	D	26.2	Very low	24.6	Very low	123 Å²	123	141.4 Å²	141.4	66%	0.658	78%	0.78	S	S	*	*			trans	59.5	131.8	139	-63.3	13.6	0	0	0	125.9
701	K	27.8	Very low	24.7	Very low	196 Å²	196	140 Å²	140	85%	0.852	78%	0.782	S	S	*	*				145.6	155.3	103.5	-111	149.7	-166.1	161	0	116.6
702	A	24.9	Very low	24.8	Very low	89 Å²	89	145.4 Å²	145.4	74%	0.736	79%	0.787	S	S	*	*			trans	-76.8	172.5	-174.7	0	0	0	0	0	113.2
703	E	24.7	Very low	24.8	Very low	174 Å²	174	146 Å²	146	81%	0.813	78%	0.784	S	S	*	*			cis	-159.6	150.3	47.7	-73.3	-169.3	91.5	0	0	116.4
704	K	26.8	Very low	25.4	Very low	177 Å²	177	149.4 Å²	149.4	77%	0.77	79%	0.79	S	S	*	*				38.2	119.2	129.6	-163.9	-174.9	-176.7	-175.8	0	122.1
705	A	23.8	Very low	25.4	Very low	106 Å²	106	151.3 Å²	151.3	88%	0.876	79%	0.789	S	S	*	*			trans	-156.2	163.5	146.3	0	0	0	0	0	112.6
706	E	21.8	Very low	25.6	Very low	168 Å²	168	154 Å²	154	79%	0.785	79%	0.794	S	S	*	*			trans	-109.3	170.9	-155.9	-109.4	170	-141.2	0	0	117
707	V	23.4	Very low	25.8	Very low	142 Å²	142	152.6 Å²	152.6	86%	0.861	80%	0.795	S	S	*	*			trans	83	158.5	155.7	165	0	0	0	0	119.1
708	C	22.8	Very low	26.1	Very low	111 Å²	111	152.8 Å²	152.8	75%	0.75	81%	0.805	S	S	*	*			trans	-145.8	142.1	-152.1	164.1	0	0	0	0	112.8
709	T	20.8	Very low	26.7	Very low	133 Å²	133	150.6 Å²	150.6	82%	0.816	81%	0.813	S	S	*	*			trans	-165.5	129.6	150.5	18.4	0	0	0	0	113.7
710	S	23.9	Very low	26.9	Very low	113 Å²	113	148.9 Å²	148.9	79%	0.79	82%	0.815	S	S	*	*			trans	24.6	120.4	146	61.1	0	0	0	0	122.6
711	A	25.7	Very low	27.5	Very low	105 Å²	105	147.6 Å²	147.6	87%	0.868	83%	0.831	S	S	*	*				-168	152.1	122.9	0	0	0	0	0	110.6
712	E	26.4	Very low	28.1	Very low	192 Å²	192	141.1 Å²	141.1	90%	0.897	82%	0.82	S	S	*	*			trans	-90.3	139.4	175	-66	161.9	97.5	0	0	111.2
713	E	25.7	Very low	29.7	Very low	183 Å²	183	141.9 Å²	141.9	86%	0.855	81%	0.812	S	S	*	*				-169.3	124.3	122	-110.3	-167.3	129.9	0	0	114.2
714	Q	36.8	Very low	32.6	Very low	176 Å²	176	137.6 Å²	137.6	82%	0.822	79%	0.794	S	S	*	*			trans	33.7	93.7	134.4	-158.7	77.7	-55.2	0	0	119.3
715	R	23.9	Very low	35.5	Very low	239 Å²	239	131.5 Å²	131.5	90%	0.902	77%	0.772	S	S	*	*			trans	-128.7	130	154.1	-86.1	-172.5	170.8	160	-0.5	112.2
716	R	32	Very low	38.8	Very low	229 Å²	229	126.8 Å²	126.8	86%	0.864	73%	0.732	S	S	*	*			trans	-66.2	138.9	166.3	-57.1	175.2	-173.2	162.2	1.1	108.8	T718	R716-T718 PolarHBondContact O-N 3.3Å
717	P	29.6	Very low	42.2	Very low	131 Å²	131	120.6 Å²	120.6	85%	0.851	70%	0.701	S	S	*	*			trans	-70.6	107.9	160.8	29.4	-30.7	0	0	0	108.7
718	T	30.1	Very low	45.6	Very low	127 Å²	127	113.9 Å²	113.9	78%	0.779	66%	0.66	S	S	*	*			trans	-70.6	154.4	159.6	40.3	0	0	0	0	109.9	R716 G720	R716-T718 PolarHBondContact O-N 3.3Å; T718-G720 PolarHBondContact O-N 3.22Å
719	T	40.7	Very low	49	Very low	146 Å²	146	108.8 Å²	108.8	90%	0.896	63%	0.626	S	S	*	*			trans	-42.8	126.6	-174.4	-45.6	0	0	0	0	114.2
720	G	27.3	Very low	52.4	Low	66 Å²	66	102.5 Å²	102.5	68%	0.68	59%	0.588	S	S	*	*			trans	-158.1	129.4	169	0	0	0	0	0	108.5	T718 G722	T718-G720 PolarHBondContact O-N 3.22Å; G720-G722 PolarHBondContact O-N 3.32Å; G720-G722 VanDerWaalsContact O-N 3.14Å
721	G	37.7	Very low	55.6	Low	96 Å²	96	97.8 Å²	97.8	99%	0.99	55%	0.552	S	S	*	*			trans	-66.2	110.2	-168	0	0	0	0	0	113.7
722	G	40.6	Very low	58.7	Low	60 Å²	60	92.9 Å²	92.9	62%	0.619	51%	0.512	S	S	*	.			trans	-144.3	148.5	169.2	0	0	0	0	0	109.6	G720 L724	G720-G722 PolarHBondContact O-N 3.32Å; G720-G722 VanDerWaalsContact O-N 3.14Å; G722-L724 PolarHBondContact O-N 3.37Å; G722-L724 VanDerWaalsContact O-N 3.08Å
723	D	58.6	Low	61.7	Low	106 Å²	106	84.4 Å²	84.4	57%	0.567	48%	0.476	S	S	*	.			trans	-63.9	110.5	-165.8	-52.2	-49.6	0	0	0	111.5	T725	D723-T725 PolarHBondContact O-N 3.23Å; D723-T725 PolarHBondContact O-OG1 3.26Å
724	L	85.3	Confident	64.8	Low	84 Å²	84	77.3 Å²	77.3	44%	0.44	44%	0.441	S	S	.	.			trans	-73.5	104.9	-168.3	178.5	56.2	0	0	0	110.7	Y637 L667 G722	Y637-L724 HydrophobicContact CD1-CD2 4.36Å; Y637-L724 HydrophobicContact CE1-CD2 3.5Å; L667-L724 HydrophobicContact CB-CB 4.49Å; L667-L724 WeakPolarHBondContact CB-O 3.21Å; L667-L724 HydrophobicContact CD1-CB 4.1Å; L667-L724 HydrophobicContact CD1-CD2 4Å; L667-L724 HydrophobicContact CD1-CG 4.02Å; L667-L724 WeakPolarHBondContact CG-O 3.22Å; L667-L724 PolarHBondContact N-O 2.68Å; L667-L724 VanDerWaalsContact N-O 3.1Å; G722-L724 PolarHBondContact O-N 3.37Å; G722-L724 VanDerWaalsContact O-N 3.08Å
725	T	89.4	Confident	67.3	Low	48 Å²	48	71.5 Å²	71.5	29%	0.294	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.4	-176.1	-53.7	0	0	0	0	111.4	C664 I665 D723 Y727	C664-T725 WeakPolarHBondContact SG-CG2 3.19Å; I665-T725 CarbonylContact O-C 3.55Å; I665-T725 WeakPolarHBondContact O-CA 3.47Å; D723-T725 PolarHBondContact O-N 3.23Å; D723-T725 PolarHBondContact O-OG1 3.26Å; T725-Y727 HydrophobicContact CG2-CE1 4.16Å; T725-Y727 HydrophobicContact CG2-CE2 3.89Å
726	I	92.3	Very high	70.6	Confident	7 Å²	7	60.1 Å²	60.1	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.1	179.3	-48.3	171.5	0	0	0	110	L609 Y637 I665 L667 L728	L609-I726 HydrophobicContact CD1-CG2 4.14Å; Y637-I726 HydrophobicContact CD2-CD1 3.51Å; Y637-I726 HydrophobicContact CE1-CD1 4.48Å; Y637-I726 HydrophobicContact CE2-CD1 3.33Å; Y637-I726 HydrophobicContact CE2-CG1 4.36Å; Y637-I726 HydrophobicContact CG-CD1 4.13Å; I665-I726 HydrophobicContact CB-CB 4.32Å; I665-I726 PolarHBondContact N-O 3.4Å; I665-I726 PolarHBondContact O-N 3.37Å; L667-I726 HydrophobicContact CD1-CD1 3.94Å; L667-I726 HydrophobicContact CD1-CG1 4.49Å; L667-I726 HydrophobicContact CD2-CD1 4.44Å; L667-I726 HydrophobicContact CG-CD1 4.22Å; I726-L728 HydrophobicContact CG2-CD1 4.49Å; I726-L728 HydrophobicContact CG2-CD2 3.94Å; I726-L728 HydrophobicContact CG2-CG 3.94Å
727	Y	94.1	Very high	73.4	Confident	39 Å²	39	49.5 Å²	49.5	15%	0.153	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.7	177.3	-61.7	-76	0	0	0	111.1	E581 I582 Y585 P662 I663 C664 T725	E581-Y727 WeakPolarHBondContact CA-O 3.28Å; I582-Y727 HydrophobicContact CG2-CD2 4.49Å; I582-Y727 HydrophobicContact CG2-CG 4.29Å; I582-Y727 PolarHBondContact N-O 3.35Å; Y585-Y727 HydrophobicContact CD1-CD1 4.42Å; Y585-Y727 HydrophobicContact CD1-CE1 4.44Å; Y585-Y727 HydrophobicContact CG-CD1 4.29Å; P662-Y727 HydrophobicContact CG-CD1 4.19Å; I663-Y727 WeakPolarHBondContact O-CA 3.43Å; C664-Y727 HydrophobicContact CB-CD1 4.45Å; C664-Y727 HydrophobicContact CB-CE1 4.38Å; C664-Y727 WeakPolarHBondContact SG-CE1 3.46Å; T725-Y727 HydrophobicContact CG2-CE1 4.16Å; T725-Y727 HydrophobicContact CG2-CE2 3.89Å
728	L	94.3	Very high	76.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.8	-177.3	-61.4	179.3	0	0	0	112.7	M579 N580 E581 L609 P662 I663 I665 I726 F743	M579-L728 HydrophobicContact CE-CB 3.77Å; M579-L728 HydrophobicContact SD-CB 4.18Å; M579-L728 HydrophobicContact SD-CD1 4.09Å; N580-L728 CarbonylContact O-C 3.57Å; N580-L728 WeakPolarHBondContact O-CA 3.47Å; E581-L728 HydrophobicContact CB-CD2 4.17Å; E581-L728 HydrophobicContact CG-CD2 4.46Å; L609-L728 HydrophobicContact CD1-CD2 4.33Å; L609-L728 HydrophobicContact CD2-CD1 4.41Å; P662-L728 CarbonylContact C-O 3.6Å; P662-L728 WeakPolarHBondContact CA-O 3.36Å; I663-L728 PolarHBondContact N-O 3.48Å; I663-L728 PolarHBondContact O-N 2.92Å; I665-L728 HydrophobicContact CD1-CD1 4.13Å; I726-L728 HydrophobicContact CG2-CD1 4.49Å; I726-L728 HydrophobicContact CG2-CD2 3.94Å; I726-L728 HydrophobicContact CG2-CG 3.94Å; L728-F743 HydrophobicContact CD1-CE2 4.01Å; L728-F743 HydrophobicContact CD1-CZ 3.89Å
729	F	94	Very high	79.3	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.1	176.7	-59.8	-97.2	0	0	0	111.3	M579 N580 I582 Y585 Y590 T595 K660 P662	M579-F729 WeakPolarHBondContact CA-O 3.49Å; M579-F729 WeakPolarHBondContact CB-O 3.37Å; N580-F729 HydrophobicContact CB-CB 4.44Å; N580-F729 PolarHBondContact N-O 2.94Å; N580-F729 PolarHBondContact O-N 3.19Å; I582-F729 HydrophobicContact CB-CE2 4.12Å; I582-F729 HydrophobicContact CG2-CE2 3.67Å; I582-F729 HydrophobicContact CG2-CZ 4.27Å; Y585-F729 AromaticContact CD2-CZ 3.79Å; Y585-F729 HydrophobicContact CD2-CZ 3.79Å; Y585-F729 HydrophobicContact CE2-CE1 4.17Å; Y585-F729 AromaticContact CE2-CZ 3.83Å; Y585-F729 HydrophobicContact CE2-CZ 3.83Å; Y590-F729 HydrophobicContact CD2-CZ 4.07Å; Y590-F729 HydrophobicContact CE1-CE1 4.09Å; Y590-F729 HydrophobicContact CE1-CZ 4.42Å; Y590-F729 AromaticContact CE2-CE1 3.86Å; Y590-F729 HydrophobicContact CE2-CE1 3.86Å; Y590-F729 HydrophobicContact CE2-CE2 4.09Å; Y590-F729 AromaticContact CE2-CZ 3.42Å; Y590-F729 HydrophobicContact CE2-CZ 3.42Å; Y590-F729 VanDerWaalsContact CE2-CZ 3.42Å; Y590-F729 AromaticContact CZ-CE1 3.52Å; Y590-F729 AromaticContact CZ-CZ 3.62Å; Y590-F729 WeakPolarHBondContact OH-CE1 3.45Å; T595-F729 HydrophobicContact CG2-CD2 3.9Å; T595-F729 HydrophobicContact CG2-CE2 3.7Å; T595-F729 HydrophobicContact CG2-CZ 4.31Å; K660-F729 WeakPolarHBondContact O-CE1 3.43Å; P662-F729 HydrophobicContact CB-CD1 4.09Å; P662-F729 HydrophobicContact CB-CD2 4.31Å; P662-F729 HydrophobicContact CB-CE1 3.83Å; P662-F729 HydrophobicContact CB-CE2 4.06Å; P662-F729 HydrophobicContact CB-CG 4.33Å; P662-F729 HydrophobicContact CB-CZ 3.82Å; P662-F729 VanDerWaalsContact CD-CE1 3.47Å; P662-F729 HydrophobicContact CG-CE1 4.05Å; P662-F729 HydrophobicContact CG-CZ 3.99Å
730	G	92.5	Very high	81.7	Confident	2 Å²	2	31.3 Å²	31.3	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	148.4	166.9	0	0	0	0	0	112.1
731	R	90.9	Very high	84.7	Confident	13 Å²	13	29.6 Å²	29.6	5%	0.049	19%	0.189	C	C	.	.	S	Bend	trans	-79.7	-29	-176.2	-55.6	176.1	75	-133.4	2.6	111.7	W578 S617 A620 E624 K659 E735	W578-R731 VanDerWaalsContact O-CD 3.28Å; W578-R731 WeakPolarHBondContact O-CD 3.28Å; W578-R731 WeakPolarHBondContact O-CG 3.26Å; S617-R731 PolarHBondContact O-NE 3.05Å; S617-R731 VanDerWaalsContact O-NE 3.09Å; S617-R731 PolarHBondContact O-NH2 2.85Å; A620-R731 HydrophobicContact CB-CB 4.12Å; E624-R731 IonicContact OE1-CZ 2.73Å; E624-R731 IonicContact OE1-NH1 2.7Å; E624-R731 IonicContact OE1-NH2 2.8Å; E624-R731 PolarHBondContact OE1-NH2 2.82Å; E624-R731 IonicContact OE2-CZ 3.47Å; E624-R731 VanDerWaalsContact OE2-CZ 3.22Å; E624-R731 IonicContact OE2-NH1 2.68Å; E624-R731 PolarHBondContact OE2-NH1 2.71Å; E624-R731 IonicContact OE2-NH2 3.24Å; E624-R731 PolarHBondContact OE2-NH2 2.94Å; K659-R731 WeakPolarHBondContact CD-O 3.41Å; R731-E735 WeakPolarHBondContact CB-OE2 3.5Å; R731-E735 PolarHBondContact N-OE2 2.82Å
732	T	90.6	Very high	87.1	Confident	3 Å²	3	25.9 Å²	25.9	2%	0.018	14%	0.144	C	C	.	.	S	Bend	trans	-118.4	173.6	169.3	67.9	0	0	0	0	110.6	A620 E735 P1140	A620-T732 HydrophobicContact CB-CG2 3.89Å; T732-E735 VanDerWaalsContact CB-OE2 3.29Å; T732-E735 WeakPolarHBondContact CB-OE2 3.22Å; T732-E735 WeakPolarHBondContact CG2-OE2 3.29Å; T732-E735 PolarHBondContact N-OE2 3.16Å; T732-E735 WeakPolarHBondContact OG1-CB 3.38Å; T732-E735 WeakPolarHBondContact OG1-CG 3.32Å; T732-E735 PolarHBondContact OG1-N 2.77Å; T732-E735 VanDerWaalsContact OG1-N 3.14Å; T732-E735 PolarHBondContact OG1-OE2 3.03Å; T732-P1140 HydrophobicContact CG2-CB 4.24Å; T732-P1140 HydrophobicContact CG2-CG 4.41Å; T732-P1140 WeakPolarHBondContact CG2-O 3.41Å
733	G	89.8	Confident	89.6	Confident	13 Å²	13	23 Å²	23	13%	0.134	12%	0.115	C	C	.	.	H	α-helix	trans	-75.7	-42.4	173.6	0	0	0	0	0	112.8	W657 K736 E737	W657-G733 VanDerWaalsContact O-CA 3.24Å; W657-G733 WeakPolarHBondContact O-CA 3.11Å; G733-K736 WeakPolarHBondContact O-CA 3.27Å; G733-K736 WeakPolarHBondContact O-CB 3.43Å; G733-K736 PolarHBondContact O-N 3.45Å; G733-E737 PolarHBondContact O-N 3.25Å; G733-E737 VanDerWaalsContact O-N 3.14Å
734	R	90.2	Very high	91.1	Very high	34 Å²	34	20.1 Å²	20.1	13%	0.128	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-44.7	178.8	-173	176.6	176.5	-84.7	-13.6	112.6	K736 E737 E738 Q942 W945 N1084 W1094 M1142	R734-K736 PolarHBondContact O-N 2.89Å; R734-E737 PolarHBondContact O-N 3.47Å; R734-E738 PolarHBondContact O-N 3.1Å; R734-Q942 VanDerWaalsContact NH2-CB 3.28Å; R734-W945 VanDerWaalsContact CZ-CZ2 3.47Å; R734-N1084 VanDerWaalsContact CZ-OD1 3.26Å; R734-N1084 PolarHBondContact NE-OD1 3.31Å; R734-N1084 PolarHBondContact NH2-OD1 2.86Å; R734-W1094 HydrophobicContact CB-CD2 3.91Å; R734-W1094 HydrophobicContact CB-CE3 3.99Å; R734-W1094 HydrophobicContact CB-CG 4.45Å; R734-W1094 HydrophobicContact CB-CH2 4.4Å; R734-W1094 HydrophobicContact CB-CZ2 4.3Å; R734-W1094 HydrophobicContact CB-CZ3 4.24Å; R734-W1094 HydrophobicContact CG-CD2 4.14Å; R734-W1094 HydrophobicContact CG-CG 4.18Å; R734-M1142 WeakPolarHBondContact CD-SD 3.47Å
735	E	90.5	Very high	91.2	Very high	54 Å²	54	20.4 Å²	20.4	25%	0.252	10%	0.099	S	C	.	.	H	α-helix	trans	-59.9	-34.1	172.5	-69.9	161.3	142.9	0	0	112	R731 T732 E738 W739	R731-E735 WeakPolarHBondContact CB-OE2 3.5Å; R731-E735 PolarHBondContact N-OE2 2.82Å; T732-E735 VanDerWaalsContact CB-OE2 3.29Å; T732-E735 WeakPolarHBondContact CB-OE2 3.22Å; T732-E735 WeakPolarHBondContact CG2-OE2 3.29Å; T732-E735 PolarHBondContact N-OE2 3.16Å; T732-E735 WeakPolarHBondContact OG1-CB 3.38Å; T732-E735 WeakPolarHBondContact OG1-CG 3.32Å; T732-E735 PolarHBondContact OG1-N 2.77Å; T732-E735 VanDerWaalsContact OG1-N 3.14Å; T732-E735 PolarHBondContact OG1-OE2 3.03Å; E735-E738 PolarHBondContact O-N 3.28Å; E735-W739 WeakPolarHBondContact O-CB 3.36Å; E735-W739 PolarHBondContact O-N 2.89Å
736	K	92.4	Very high	91.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.8	-39.9	178.5	-171.3	-170.1	168	-174.2	0	111.4	V656 W657 Y661 I663 G733 R734 F740	V656-K736 PolarHBondContact O-NZ 2.88Å; W657-K736 HydrophobicContact CE3-CD 4.46Å; W657-K736 HydrophobicContact CE3-CG 4.35Å; Y661-K736 WeakPolarHBondContact O-CE 3.27Å; Y661-K736 PolarHBondContact O-NZ 3.06Å; I663-K736 HydrophobicContact CD1-CG 4.05Å; I663-K736 HydrophobicContact CG1-CG 4.04Å; G733-K736 WeakPolarHBondContact O-CA 3.27Å; G733-K736 WeakPolarHBondContact O-CB 3.43Å; G733-K736 PolarHBondContact O-N 3.45Å; R734-K736 PolarHBondContact O-N 2.89Å; K736-F740 VanDerWaalsContact O-CB 3.26Å; K736-F740 WeakPolarHBondContact O-CB 3.44Å; K736-F740 PolarHBondContact O-N 3.15Å
737	E	91.1	Very high	91.1	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.028	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-45	173.2	-179.3	161.8	-145.6	0	0	111.4	W657 G733 R734 F740 R741 T1090 W1094	W657-E737 HydrophobicContact CD2-CB 3.69Å; W657-E737 HydrophobicContact CD2-CG 4.13Å; W657-E737 HydrophobicContact CE3-CB 4Å; W657-E737 HydrophobicContact CG-CB 4.05Å; W657-E737 HydrophobicContact CH2-CB 4.37Å; W657-E737 HydrophobicContact CH2-CG 4.2Å; W657-E737 HydrophobicContact CZ2-CB 4.06Å; W657-E737 HydrophobicContact CZ2-CG 3.62Å; W657-E737 HydrophobicContact CZ3-CB 4.33Å; W657-E737 PolarHBondContact NE1-OE1 2.81Å; W657-E737 PolarHBondContact NE1-OE2 2.82Å; G733-E737 PolarHBondContact O-N 3.25Å; G733-E737 VanDerWaalsContact O-N 3.14Å; R734-E737 PolarHBondContact O-N 3.47Å; E737-F740 PolarHBondContact O-N 2.82Å; E737-R741 PolarHBondContact O-N 2.89Å; E737-T1090 WeakPolarHBondContact OE1-CB 3.25Å; E737-T1090 PolarHBondContact OE1-OG1 2.92Å; E737-W1094 HydrophobicContact CB-CZ2 4.5Å; E737-W1094 PolarHBondContact OE2-NE1 3.45Å
738	E	89.8	Confident	90.6	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-60	-55	176.9	-170.8	60.1	-139.7	0	0	111.7	F575 R734 E735 F740 R741 R742	F575-E738 HydrophobicContact CE1-CG 4.04Å; F575-E738 HydrophobicContact CE2-CG 4.22Å; F575-E738 HydrophobicContact CZ-CG 3.53Å; R734-E738 PolarHBondContact O-N 3.1Å; E735-E738 PolarHBondContact O-N 3.28Å; E738-F740 VanDerWaalsContact C-N 3.32Å; E738-F740 PolarHBondContact O-N 2.87Å; E738-R741 PolarHBondContact O-N 2.88Å; E738-R741 IonicContact OE1-CZ 3.23Å; E738-R741 IonicContact OE1-NH1 2.71Å; E738-R741 PolarHBondContact OE1-NH1 2.94Å; E738-R741 IonicContact OE2-CZ 2.71Å; E738-R741 VanDerWaalsContact OE2-CZ 3.24Å; E738-R741 IonicContact OE2-NH1 3.89Å; E738-R741 PolarHBondContact OE2-NH1 2.78Å; E738-R741 IonicContact OE2-NH2 2.94Å; E738-R741 PolarHBondContact OE2-NH2 3.15Å; E738-R742 HydrophobicContact CG-CG 4.35Å; E738-R742 WeakPolarHBondContact O-CB 3.47Å; E738-R742 WeakPolarHBondContact O-CG 3.46Å; E738-R742 PolarHBondContact O-N 3.4Å; E738-R742 IonicContact OE1-CZ 3.14Å; E738-R742 IonicContact OE1-NE 3.23Å; E738-R742 PolarHBondContact OE1-NE 2.94Å; E738-R742 IonicContact OE1-NH2 2.68Å; E738-R742 PolarHBondContact OE1-NH2 3.39Å
739	W	92.5	Very high	89.7	Confident	5 Å²	5	27.3 Å²	27.3	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-42.1	178.1	-81.9	115.6	0	0	0	112.5	F575 M579 V600 L602 I663 E735 R742 F743	F575-W739 HydrophobicContact CD1-CD2 4.17Å; F575-W739 AromaticContact CD1-CE3 3.82Å; F575-W739 HydrophobicContact CD1-CE3 3.82Å; F575-W739 AromaticContact CD1-CH2 3.57Å; F575-W739 HydrophobicContact CD1-CH2 3.57Å; F575-W739 AromaticContact CD1-CZ2 3.92Å; F575-W739 HydrophobicContact CD1-CZ2 3.92Å; F575-W739 AromaticContact CD1-CZ3 3.53Å; F575-W739 HydrophobicContact CD1-CZ3 3.53Å; F575-W739 AromaticContact CE1-CD2 3.77Å; F575-W739 HydrophobicContact CE1-CD2 3.77Å; F575-W739 AromaticContact CE1-CE2 3.68Å; F575-W739 AromaticContact CE1-CE3 3.91Å; F575-W739 HydrophobicContact CE1-CE3 3.91Å; F575-W739 HydrophobicContact CE1-CG 4.41Å; F575-W739 AromaticContact CE1-CH2 3.92Å; F575-W739 HydrophobicContact CE1-CH2 3.92Å; F575-W739 AromaticContact CE1-CZ2 3.77Å; F575-W739 HydrophobicContact CE1-CZ2 3.77Å; F575-W739 AromaticContact CE1-CZ3 3.99Å; F575-W739 HydrophobicContact CE1-CZ3 3.99Å; M579-W739 HydrophobicContact CE-CB 3.92Å; M579-W739 HydrophobicContact CE-CD2 4.45Å; M579-W739 HydrophobicContact CE-CG 3.8Å; M579-W739 HydrophobicContact CG-CG 4.5Å; M579-W739 HydrophobicContact SD-CB 4.3Å; M579-W739 HydrophobicContact SD-CD2 3.7Å; M579-W739 HydrophobicContact SD-CE3 4.33Å; M579-W739 HydrophobicContact SD-CG 3.67Å; V600-W739 HydrophobicContact CB-CH2 3.65Å; V600-W739 HydrophobicContact CB-CZ2 3.87Å; V600-W739 HydrophobicContact CB-CZ3 4.23Å; V600-W739 HydrophobicContact CG1-CE3 4.23Å; V600-W739 HydrophobicContact CG1-CH2 3.45Å; V600-W739 VanDerWaalsContact CG1-CH2 3.45Å; V600-W739 HydrophobicContact CG1-CZ2 4.09Å; V600-W739 HydrophobicContact CG1-CZ3 3.52Å; L602-W739 HydrophobicContact CB-CZ3 4.03Å; I663-W739 HydrophobicContact CD1-CB 3.98Å; E735-W739 WeakPolarHBondContact O-CB 3.36Å; E735-W739 PolarHBondContact O-N 2.89Å; W739-R742 PolarHBondContact O-N 3.37Å; W739-F743 HydrophobicContact CB-CD2 4.5Å; W739-F743 HydrophobicContact CB-CE2 3.98Å; W739-F743 HydrophobicContact CB-CZ 4.32Å; W739-F743 HydrophobicContact CD2-CZ 4.06Å; W739-F743 HydrophobicContact CE3-CD1 4.36Å; W739-F743 AromaticContact CE3-CE1 3.47Å; W739-F743 HydrophobicContact CE3-CE1 3.47Å; W739-F743 VanDerWaalsContact CE3-CE1 3.47Å; W739-F743 HydrophobicContact CE3-CE2 4.16Å; W739-F743 AromaticContact CE3-CZ 3.35Å; W739-F743 HydrophobicContact CE3-CZ 3.35Å; W739-F743 HydrophobicContact CG-CZ 4.49Å; W739-F743 AromaticContact CZ3-CE1 3.8Å; W739-F743 HydrophobicContact CZ3-CE1 3.8Å; W739-F743 AromaticContact CZ3-CZ 3.99Å; W739-F743 HydrophobicContact CZ3-CZ 3.99Å; W739-F743 WeakPolarHBondContact O-CD2 3.44Å; W739-F743 WeakPolarHBondContact O-CG 3.29Å; W739-F743 PolarHBondContact O-N 2.85Å
740	F	91.9	Very high	88.2	Confident	8 Å²	8	36.3 Å²	36.3	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-48	177.1	-179.3	-87.1	0	0	0	112	I644 L646 W657 I663 K736 E737 E738 R742 F743 L744 M1154	I644-F740 HydrophobicContact CG2-CD2 3.96Å; I644-F740 HydrophobicContact CG2-CE2 3.72Å; I644-F740 HydrophobicContact CG2-CZ 4.42Å; L646-F740 HydrophobicContact CD2-CD2 3.59Å; L646-F740 HydrophobicContact CD2-CE2 4.02Å; L646-F740 HydrophobicContact CD2-CG 4.43Å; L646-F740 HydrophobicContact CG-CD2 3.96Å; L646-F740 HydrophobicContact CG-CE2 3.93Å; W657-F740 HydrophobicContact CH2-CB 3.93Å; W657-F740 AromaticContact CH2-CD1 3.62Å; W657-F740 HydrophobicContact CH2-CD1 3.62Å; W657-F740 HydrophobicContact CH2-CE1 4.38Å; W657-F740 AromaticContact CH2-CG 3.82Å; W657-F740 HydrophobicContact CH2-CG 3.82Å; W657-F740 HydrophobicContact CZ3-CB 3.62Å; W657-F740 HydrophobicContact CZ3-CD1 4.1Å; W657-F740 HydrophobicContact CZ3-CD2 4.45Å; W657-F740 AromaticContact CZ3-CG 3.79Å; W657-F740 HydrophobicContact CZ3-CG 3.79Å; I663-F740 HydrophobicContact CD1-CB 4Å; I663-F740 HydrophobicContact CG1-CB 4.36Å; I663-F740 HydrophobicContact CG1-CD2 4.33Å; I663-F740 HydrophobicContact CG2-CD2 4.06Å; K736-F740 VanDerWaalsContact O-CB 3.26Å; K736-F740 WeakPolarHBondContact O-CB 3.44Å; K736-F740 PolarHBondContact O-N 3.15Å; E737-F740 PolarHBondContact O-N 2.82Å; E738-F740 VanDerWaalsContact C-N 3.32Å; E738-F740 PolarHBondContact O-N 2.87Å; F740-R742 VanDerWaalsContact C-N 3.32Å; F740-R742 PolarHBondContact O-N 3.46Å; F740-F743 PolarHBondContact O-N 3.21Å; F740-L744 HydrophobicContact CE1-CB 4.46Å; F740-L744 HydrophobicContact CE1-CD2 3.92Å; F740-L744 HydrophobicContact CZ-CD2 4.5Å; F740-L744 WeakPolarHBondContact O-CB 3.39Å; F740-L744 PolarHBondContact O-N 3.29Å; F740-M1154 HydrophobicContact CD1-CE 3.78Å; F740-M1154 HydrophobicContact CD2-CE 4.35Å; F740-M1154 HydrophobicContact CE1-CE 3.32Å; F740-M1154 HydrophobicContact CE1-SD 4.48Å; F740-M1154 HydrophobicContact CE2-CE 3.96Å; F740-M1154 HydrophobicContact CG-CE 4.28Å; F740-M1154 HydrophobicContact CZ-CE 3.44Å; F740-M1154 VanDerWaalsContact CZ-CE 3.44Å; F740-M1154 HydrophobicContact CZ-SD 4.3Å
741	R	89.2	Confident	86.1	Confident	31 Å²	31	40.8 Å²	40.8	12%	0.117	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-42.9	179.1	-157.1	-163.4	-35.5	99.4	6.4	111.1	E737 E738 L744 Q745	E737-R741 PolarHBondContact O-N 2.89Å; E738-R741 PolarHBondContact O-N 2.88Å; E738-R741 IonicContact OE1-CZ 3.23Å; E738-R741 IonicContact OE1-NH1 2.71Å; E738-R741 PolarHBondContact OE1-NH1 2.94Å; E738-R741 IonicContact OE2-CZ 2.71Å; E738-R741 VanDerWaalsContact OE2-CZ 3.24Å; E738-R741 IonicContact OE2-NH1 3.89Å; E738-R741 PolarHBondContact OE2-NH1 2.78Å; E738-R741 IonicContact OE2-NH2 2.94Å; E738-R741 PolarHBondContact OE2-NH2 3.15Å; R741-L744 PolarHBondContact O-N 2.79Å; R741-Q745 WeakPolarHBondContact O-CB 3.48Å; R741-Q745 PolarHBondContact O-N 3.46Å
742	R	89.2	Confident	83.8	Confident	17 Å²	17	49.6 Å²	49.6	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-45.7	178.5	-68.5	-77.9	171.1	-168.5	-11.4	112.2	E571 F575 L602 E738 W739 F740 Q745 A746 H941	E571-R742 IonicContact OE2-CZ 3.26Å; E571-R742 IonicContact OE2-NH1 2.81Å; E571-R742 PolarHBondContact OE2-NH1 3.37Å; E571-R742 IonicContact OE2-NH2 3.84Å; F575-R742 HydrophobicContact CD1-CG 4.14Å; F575-R742 HydrophobicContact CE1-CG 4.34Å; L602-R742 HydrophobicContact CD2-CB 3.84Å; E738-R742 HydrophobicContact CG-CG 4.35Å; E738-R742 WeakPolarHBondContact O-CB 3.47Å; E738-R742 WeakPolarHBondContact O-CG 3.46Å; E738-R742 PolarHBondContact O-N 3.4Å; E738-R742 IonicContact OE1-CZ 3.14Å; E738-R742 IonicContact OE1-NE 3.23Å; E738-R742 PolarHBondContact OE1-NE 2.94Å; E738-R742 IonicContact OE1-NH2 2.68Å; E738-R742 PolarHBondContact OE1-NH2 3.39Å; W739-R742 PolarHBondContact O-N 3.37Å; F740-R742 VanDerWaalsContact C-N 3.32Å; F740-R742 PolarHBondContact O-N 3.46Å; R742-Q745 PolarHBondContact O-N 3.3Å; R742-A746 WeakPolarHBondContact O-CB 3.29Å; R742-A746 PolarHBondContact O-N 3.13Å; R742-H941 PolarHBondContact NH2-O 2.92Å
743	F	92.3	Very high	81.2	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-42.5	174.5	-59.7	-38.2	0	0	0	111.5	M579 V600 L602 L607 L639 I644 I663 I665 L728 W739 F740 Q745 A746 S747	M579-F743 HydrophobicContact CE-CE2 4.46Å; M579-F743 HydrophobicContact SD-CE2 4.38Å; M579-F743 HydrophobicContact SD-CZ 4.11Å; V600-F743 HydrophobicContact CG1-CE1 4.45Å; V600-F743 HydrophobicContact CG1-CZ 4.3Å; L602-F743 HydrophobicContact CD1-CD1 4.32Å; L602-F743 HydrophobicContact CD2-CD1 3.94Å; L602-F743 HydrophobicContact CD2-CE1 4.32Å; L607-F743 HydrophobicContact CD1-CE1 3.67Å; L607-F743 HydrophobicContact CD1-CZ 4.29Å; L639-F743 HydrophobicContact CD1-CB 4.32Å; L639-F743 HydrophobicContact CD1-CD1 3.79Å; L639-F743 HydrophobicContact CD1-CG 4.38Å; I644-F743 VanDerWaalsContact CD1-C 3.42Å; I644-F743 HydrophobicContact CD1-CB 3.71Å; I644-F743 WeakPolarHBondContact CD1-O 3.44Å; I644-F743 HydrophobicContact CG1-CB 4.34Å; I644-F743 HydrophobicContact CG2-CB 4.19Å; I663-F743 HydrophobicContact CD1-CD2 4.32Å; I663-F743 HydrophobicContact CD1-CE2 4.15Å; I663-F743 HydrophobicContact CG2-CD2 4.21Å; I665-F743 HydrophobicContact CD1-CD2 3.96Å; I665-F743 HydrophobicContact CD1-CE2 4.09Å; I665-F743 HydrophobicContact CD1-CG 4.23Å; I665-F743 HydrophobicContact CD1-CZ 4.47Å; L728-F743 HydrophobicContact CD1-CE2 4.01Å; L728-F743 HydrophobicContact CD1-CZ 3.89Å; W739-F743 HydrophobicContact CB-CD2 4.5Å; W739-F743 HydrophobicContact CB-CE2 3.98Å; W739-F743 HydrophobicContact CB-CZ 4.32Å; W739-F743 HydrophobicContact CD2-CZ 4.06Å; W739-F743 HydrophobicContact CE3-CD1 4.36Å; W739-F743 AromaticContact CE3-CE1 3.47Å; W739-F743 HydrophobicContact CE3-CE1 3.47Å; W739-F743 VanDerWaalsContact CE3-CE1 3.47Å; W739-F743 HydrophobicContact CE3-CE2 4.16Å; W739-F743 AromaticContact CE3-CZ 3.35Å; W739-F743 HydrophobicContact CE3-CZ 3.35Å; W739-F743 HydrophobicContact CG-CZ 4.49Å; W739-F743 AromaticContact CZ3-CE1 3.8Å; W739-F743 HydrophobicContact CZ3-CE1 3.8Å; W739-F743 AromaticContact CZ3-CZ 3.99Å; W739-F743 HydrophobicContact CZ3-CZ 3.99Å; W739-F743 WeakPolarHBondContact O-CD2 3.44Å; W739-F743 WeakPolarHBondContact O-CG 3.29Å; W739-F743 PolarHBondContact O-N 2.85Å; F740-F743 PolarHBondContact O-N 3.21Å; F743-Q745 VanDerWaalsContact C-N 3.3Å; F743-Q745 PolarHBondContact O-N 2.78Å; F743-A746 WeakPolarHBondContact O-CB 3.38Å; F743-A746 PolarHBondContact O-N 3.3Å; F743-A746 VanDerWaalsContact O-N 3.1Å; F743-S747 PolarHBondContact O-N 3.31Å
744	L	90.2	Very high	78.6	Confident	46 Å²	46	64.2 Å²	64.2	24%	0.241	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-33.3	179.7	-178.7	63	0	0	0	112.7	F740 R741 Q748	F740-L744 HydrophobicContact CE1-CB 4.46Å; F740-L744 HydrophobicContact CE1-CD2 3.92Å; F740-L744 HydrophobicContact CZ-CD2 4.5Å; F740-L744 WeakPolarHBondContact O-CB 3.39Å; F740-L744 PolarHBondContact O-N 3.29Å; R741-L744 PolarHBondContact O-N 2.79Å; L744-Q748 WeakPolarHBondContact O-CG 3.27Å; L744-Q748 PolarHBondContact O-NE2 3.43Å
745	Q	87.8	Confident	75.8	Confident	90 Å²	90	66.4 Å²	66.4	42%	0.421	35%	0.35	S	S	.	.	H	α-helix	trans	-67.6	-43.2	170.2	-175.5	-178.4	7.8	0	0	110.9	R741 R742 F743 Q748 M749	R741-Q745 WeakPolarHBondContact O-CB 3.48Å; R741-Q745 PolarHBondContact O-N 3.46Å; R742-Q745 PolarHBondContact O-N 3.3Å; F743-Q745 VanDerWaalsContact C-N 3.3Å; F743-Q745 PolarHBondContact O-N 2.78Å; Q745-Q748 PolarHBondContact O-N 2.81Å; Q745-M749 WeakPolarHBondContact O-CG 3.42Å
746	A	89.8	Confident	72.9	Confident	3 Å²	3	67.9 Å²	67.9	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-33.7	-179.3	0	0	0	0	0	114.2	L602 G604 L639 R742 F743 M749	L602-A746 HydrophobicContact CD1-CB 3.99Å; L602-A746 HydrophobicContact CD2-CB 4.19Å; G604-A746 WeakPolarHBondContact O-CB 3.39Å; L639-A746 HydrophobicContact CB-CB 4.47Å; L639-A746 HydrophobicContact CD1-CB 4.09Å; R742-A746 WeakPolarHBondContact O-CB 3.29Å; R742-A746 PolarHBondContact O-N 3.13Å; F743-A746 WeakPolarHBondContact O-CB 3.38Å; F743-A746 PolarHBondContact O-N 3.3Å; F743-A746 VanDerWaalsContact O-N 3.1Å; A746-M749 WeakPolarHBondContact O-CG 3.49Å
747	S	89.2	Confident	69.8	Low	11 Å²	11	73.2 Å²	73.2	8%	0.077	42%	0.418	C	S	.	.	H	α-helix	trans	-80.3	-15.1	176.8	73.8	0	0	0	0	114.8	L639 D641 S642 F743 M749	L639-S747 WeakPolarHBondContact O-CA 3.24Å; L639-S747 WeakPolarHBondContact O-CB 3.32Å; D641-S747 PolarHBondContact N-O 2.78Å; D641-S747 VanDerWaalsContact N-O 3.13Å; S642-S747 WeakPolarHBondContact O-CB 3.22Å; S642-S747 PolarHBondContact O-OG 3.17Å; S642-S747 VanDerWaalsContact O-OG 3.11Å; F743-S747 PolarHBondContact O-N 3.31Å; S747-M749 VanDerWaalsContact C-N 3.33Å
748	Q	85.2	Confident	67	Low	130 Å²	130	81.5 Å²	81.5	61%	0.607	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2.8	175	-68.1	176.9	40.2	0	0	113.2	L744 Q745 K750	L744-Q748 WeakPolarHBondContact O-CG 3.27Å; L744-Q748 PolarHBondContact O-NE2 3.43Å; Q745-Q748 PolarHBondContact O-N 2.81Å; Q748-K750 PolarHBondContact O-N 2.89Å; Q748-K750 VanDerWaalsContact O-N 3.09Å
749	M	75.1	Confident	64	Low	95 Å²	95	86.4 Å²	86.4	47%	0.468	50%	0.496	S	S	.	.			trans	-72.8	100	176.6	-58.9	-171.5	90.6	0	0	109.8	G604 Q745 A746 S747	G604-M749 VanDerWaalsContact C-SD 3.53Å; Q745-M749 WeakPolarHBondContact O-CG 3.42Å; A746-M749 WeakPolarHBondContact O-CG 3.49Å; S747-M749 VanDerWaalsContact C-N 3.33Å
750	K	61.3	Low	60.9	Low	192 Å²	192	89.8 Å²	89.8	84%	0.835	53%	0.532	S	S	*	.			trans	-62.7	137.3	178.3	-66.4	-175.3	178	-176.2	0	111.4	Q748 E752	Q748-K750 PolarHBondContact O-N 2.89Å; Q748-K750 VanDerWaalsContact O-N 3.09Å; K750-E752 PolarHBondContact O-N 3.47Å
751	S	49.9	Very low	57.9	Low	97 Å²	97	96.6 Å²	96.6	68%	0.678	57%	0.568	S	S	*	*			trans	-73.3	112	170.5	46.9	0	0	0	0	111	G753	S751-G753 PolarHBondContact O-N 3.45Å
752	E	42.1	Very low	54.8	Low	198 Å²	198	100.3 Å²	100.3	93%	0.925	60%	0.597	S	S	*	*			trans	-75.9	71.4	177	-72.3	-155.9	117.2	0	0	112.5	K750 R754	K750-E752 PolarHBondContact O-N 3.47Å; E752-R754 VanDerWaalsContact C-N 3.35Å; E752-R754 PolarHBondContact O-N 2.93Å; E752-R754 VanDerWaalsContact O-N 3.14Å
753	G	35	Very low	51.8	Low	73 Å²	73	108.3 Å²	108.3	75%	0.753	63%	0.633	S	S	*	*			trans	-83.1	47	-176.3	0	0	0	0	0	116.7	S751	S751-G753 PolarHBondContact O-N 3.45Å
754	R	36.7	Very low	48.5	Very low	249 Å²	249	114.1 Å²	114.1	94%	0.94	67%	0.673	S	S	*	*			trans	38.7	99.7	156.1	-165.5	-172.2	-156.4	-161.3	7.6	118.9	E752	E752-R754 VanDerWaalsContact C-N 3.35Å; E752-R754 PolarHBondContact O-N 2.93Å; E752-R754 VanDerWaalsContact O-N 3.14Å
755	G	29.8	Very low	45.4	Very low	80 Å²	80	115.6 Å²	115.6	83%	0.825	69%	0.692	S	S	*	*			trans	-170.9	118.7	163.5	0	0	0	0	0	118
756	G	29.9	Very low	42.4	Very low	86 Å²	86	120 Å²	120	89%	0.887	71%	0.71	S	S	*	*			trans	79.6	109.6	155	0	0	0	0	0	118.4
757	S	27.7	Very low	39.4	Very low	112 Å²	112	127 Å²	127	78%	0.783	75%	0.746	S	S	*	*			trans	-97.6	143.1	172	91.1	0	0	0	0	112.6
758	L	32	Very low	36.2	Very low	180 Å²	180	131.5 Å²	131.5	94%	0.942	78%	0.778	S	S	*	*			trans	-141.3	151.9	141.2	-86.5	-173.6	0	0	0	110.6
759	S	27.8	Very low	33.2	Very low	111 Å²	111	129.2 Å²	129.2	78%	0.776	78%	0.781	S	S	*	*			trans	-97.9	147	-176	-170.8	0	0	0	0	112
760	G	26.1	Very low	30.9	Very low	76 Å²	76	132.9 Å²	132.9	78%	0.784	80%	0.797	S	S	*	*			trans	-149.5	132.8	173.3	0	0	0	0	0	110.6
761	I	29.3	Very low	29.1	Very low	152 Å²	152	128.4 Å²	128.4	78%	0.779	79%	0.79	S	S	*	*			trans	-122.1	160.8	-164.2	-69.5	174.3	0	0	0	111.5
762	C	24	Very low	28	Very low	109 Å²	109	135.4 Å²	135.4	74%	0.736	80%	0.801	S	S	*	*			trans	80.9	130.9	-179.7	-70.7	0	0	0	0	115.3
763	K	25.8	Very low	27.2	Very low	185 Å²	185	131.8 Å²	131.8	80%	0.804	80%	0.798	S	S	*	*			cis	82.9	105.6	37.7	-72.3	-175	172.2	178.2	0	114.4
764	S	24.7	Very low	26.7	Very low	122 Å²	122	131.5 Å²	131.5	85%	0.853	80%	0.795	S	S	*	*			trans	63.7	174.4	157.3	78.6	0	0	0	0	114.9
765	A	23.8	Very low	26.2	Very low	77 Å²	77	125.5 Å²	125.5	64%	0.636	79%	0.792	S	S	*	*			cis	-156.4	156.3	-3.6	0	0	0	0	0	110.7
766	F	24.5	Very low	26.1	Very low	181 Å²	181	128.7 Å²	128.7	79%	0.794	79%	0.788	S	S	*	*			trans	44.5	109.8	147.2	-76.6	-106	0	0	0	122.6
767	L	26.6	Very low	26.1	Very low	150 Å²	150	133 Å²	133	79%	0.785	79%	0.785	S	S	*	*				66	156.5	123.9	-58.9	-172.4	0	0	0	124
768	S	22.3	Very low	26.1	Very low	106 Å²	106	133.7 Å²	133.7	74%	0.741	79%	0.79	S	S	*	*			trans	88.3	87.5	147	-67.1	0	0	0	0	122.1
769	A	23.5	Very low	25.8	Very low	83 Å²	83	128.5 Å²	128.5	69%	0.686	78%	0.78	S	S	*	*				71.7	166	109	0	0	0	0	0	122.9
770	H	25.2	Very low	25.7	Very low	171 Å²	171	127.6 Å²	127.6	79%	0.792	79%	0.788	S	S	*	*			trans	82.9	74.8	160.7	-62.1	-56.1	0	0	0	122
771	S	25.4	Very low	25.8	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	79%	0.786	S	S	*	*				51.2	129.4	109.4	66.4	0	0	0	0	122.7
772	R	25.7	Very low	26.3	Very low	243 Å²	243	125.7 Å²	125.7	92%	0.917	79%	0.785	S	S	*	*				-164.9	124.3	126	-105.6	160.9	176.8	-161.4	-3.6	109.2
773	S	25	Very low	26.5	Very low	123 Å²	123	129.6 Å²	129.6	86%	0.86	79%	0.792	S	S	*	*				80.1	125.5	88.8	-174.1	0	0	0	0	113.1
774	G	24.8	Very low	26.6	Very low	66 Å²	66	125 Å²	125	68%	0.68	79%	0.789	S	S	*	*			cis	157.7	-176.6	-1.1	0	0	0	0	0	111.7
775	S	26.5	Very low	26.7	Very low	124 Å²	124	125.5 Å²	125.5	87%	0.867	78%	0.782	S	S	*	*			trans	69.6	149.1	168.9	-97.8	0	0	0	0	116.8
776	I	28.5	Very low	26.9	Very low	146 Å²	146	126.6 Å²	126.6	75%	0.749	79%	0.785	S	S	*	*			cis	-132.5	158.4	-0.1	-58.2	-174.7	0	0	0	110.6
777	Q	29.2	Very low	27.1	Very low	178 Å²	178	129.1 Å²	129.1	83%	0.832	79%	0.79	S	S	*	*			trans	-44	163.6	162.7	-63.6	151.6	-27.9	0	0	114.1
778	S	26.7	Very low	27	Very low	125 Å²	125	125.4 Å²	125.4	87%	0.874	79%	0.788	S	S	*	*				-176	157.1	55	-179.1	0	0	0	0	108.6
779	G	27.1	Very low	27.4	Very low	72 Å²	72	126 Å²	126	74%	0.742	79%	0.791	S	S	*	*			cis	-176.1	-179.4	1.4	0	0	0	0	0	107.6
780	G	24.6	Very low	27.7	Very low	91 Å²	91	127.4 Å²	127.4	94%	0.938	80%	0.796	S	S	*	*			cis	131.3	81.3	5.3	0	0	0	0	0	112
781	G	28	Very low	27.7	Very low	73 Å²	73	130.9 Å²	130.9	75%	0.753	80%	0.802	S	S	*	*			trans	178.9	148.4	173.8	0	0	0	0	0	114.7
782	P	41	Very low	27.8	Very low	116 Å²	116	129.5 Å²	129.5	75%	0.753	80%	0.804	S	S	*	*			trans	-144.8	-177.1	-142.2	42.2	-20.8	0	0	0	118.5
783	E	27.7	Very low	27.8	Very low	190 Å²	190	122.9 Å²	122.9	89%	0.888	80%	0.795	S	S	*	*			trans	63.5	173.4	163.1	-43.2	-161.3	151.2	0	0	117.5
784	A	28.2	Very low	27.7	Very low	90 Å²	90	124.5 Å²	124.5	74%	0.744	79%	0.789	S	S	*	*			cis	-143.3	-171	-0	0	0	0	0	0	108.9
785	D	26.1	Very low	27.8	Very low	132 Å²	132	128.8 Å²	128.8	71%	0.706	79%	0.791	S	S	*	*			cis	-148.3	-169.9	3.1	-175.2	16.5	0	0	0	108.3
786	S	27.6	Very low	27.8	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	79%	0.793	S	S	*	*			trans	-116.2	-159.1	-176.2	-60	0	0	0	0	113.8
787	R	30	Very low	27.9	Very low	234 Å²	234	132.9 Å²	132.9	88%	0.883	80%	0.798	S	S	*	*			trans	89.9	143.2	169.6	-51.7	165.1	-179.1	-151.4	-3.4	115.1
788	G	25.1	Very low	27.6	Very low	72 Å²	72	130 Å²	130	74%	0.742	80%	0.797	S	S	*	*			cis	-168.3	-168.7	-5.6	0	0	0	0	0	107.7
789	S	29.1	Very low	27.8	Very low	117 Å²	117	132.9 Å²	132.9	82%	0.818	80%	0.797	S	S	*	*			cis	171.8	108.4	-9.5	164.5	0	0	0	0	106.5
790	S	29.5	Very low	28.2	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	80%	0.797	S	S	*	*			trans	32.3	119.5	149.1	-167.2	0	0	0	0	123.3
791	R	26.9	Very low	28.2	Very low	244 Å²	244	141.4 Å²	141.4	92%	0.921	79%	0.793	S	S	*	*				-174.5	145.9	128.6	-103.6	174.9	169.5	-170.6	-5.9	107.5
792	G	25.8	Very low	28.1	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	79%	0.792	S	S	*	*			cis	99.1	122.4	17.3	0	0	0	0	0	109.9
793	S	25.8	Very low	27.3	Very low	104 Å²	104	148.5 Å²	148.5	73%	0.727	79%	0.789	S	S	*	*			cis	-133.3	-158.2	7.5	47	0	0	0	0	110
794	Q	24.1	Very low	27.1	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.734	78%	0.78	S	S	*	*			cis	-157.4	-157.5	10.4	-159.4	119.3	3	0	0	113.1
795	E	26.7	Very low	27	Very low	156 Å²	156	148.8 Å²	148.8	73%	0.729	78%	0.784	S	S	*	*			trans	-82	-178.2	-176	-67.6	133.5	147.2	0	0	112.7
796	E	26.6	Very low	28	Very low	194 Å²	194	148 Å²	148	91%	0.907	79%	0.786	S	S	*	*			cis	-155.9	-178.9	26.8	-156.7	168.9	-165.1	0	0	114.4
797	L	30	Very low	28	Very low	162 Å²	162	147.7 Å²	147.7	85%	0.848	79%	0.79	S	S	*	*			trans	-95.3	140.6	-167.5	-177.2	79.6	0	0	0	113.9
798	S	23.7	Very low	27.8	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	78%	0.782	S	S	*	*			trans	179.7	151.3	142.2	39.2	0	0	0	0	116.3
799	Q	30.6	Very low	28	Very low	186 Å²	186	146.5 Å²	146.5	87%	0.869	79%	0.791	S	S	*	*			trans	-114	162.9	152.7	-79.4	-170.4	4	0	0	106.7
800	P	35.9	Very low	28	Very low	114 Å²	114	146.7 Å²	146.7	74%	0.74	79%	0.793	S	S	*	*			cis	-150.5	-173.6	37.5	42.8	-20.5	0	0	0	118.4
801	R	24.9	Very low	27.9	Very low	229 Å²	229	145 Å²	145	86%	0.864	79%	0.793	S	S	*	*			trans	1.7	132.2	159.3	-58.6	177.5	-179.6	-176.2	0.2	119.3
802	H	24.2	Very low	27.9	Very low	159 Å²	159	136.8 Å²	136.8	74%	0.736	78%	0.784	S	S	*	*				-169.9	149.2	102.5	-125.2	-80.4	0	0	0	116.9
803	R	24.6	Very low	28	Very low	178 Å²	178	137 Å²	137	67%	0.672	78%	0.775	S	S	*	*			trans	67.4	107	141.7	-117.9	176.2	171.9	115.7	29.6	124.6
804	E	24.4	Very low	28.6	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	77%	0.773	S	S	*	*				63.8	142.1	126.6	-67	155.6	-146.5	0	0	124
805	T	25.5	Very low	29.2	Very low	137 Å²	137	131.3 Å²	131.3	84%	0.84	77%	0.766	S	S	*	*			trans	-84.5	-169.7	176	13.3	0	0	0	0	112
806	P	47.3	Very low	29.7	Very low	115 Å²	115	125.2 Å²	125.2	75%	0.747	75%	0.745	S	S	*	*			cis	-139.9	-165	11.1	43.3	-22.9	0	0	0	117
807	A	26.9	Very low	30.1	Very low	93 Å²	93	122.2 Å²	122.2	77%	0.769	73%	0.732	S	S	*	*			trans	78.1	146.1	156.8	0	0	0	0	0	119.2
808	S	27.1	Very low	30.9	Very low	105 Å²	105	122.6 Å²	122.6	73%	0.734	73%	0.727	S	S	*	*			cis	-165.3	155.5	-21.4	57.3	0	0	0	0	111.3
809	L	29.1	Very low	32.2	Very low	176 Å²	176	122.2 Å²	122.2	92%	0.921	71%	0.713	S	S	*	*				-176.4	151.4	127.4	-98.7	169.3	0	0	0	110.2
810	S	28.8	Very low	33.1	Very low	122 Å²	122	121.1 Å²	121.1	85%	0.853	71%	0.705	S	S	*	*			trans	-120.5	157.1	-174.2	-174.5	0	0	0	0	111.8
811	G	26.7	Very low	33.7	Very low	77 Å²	77	121.1 Å²	121.1	79%	0.794	70%	0.696	S	S	*	*			trans	-168.9	36	-170.1	0	0	0	0	0	117.7
812	G	26.8	Very low	35.2	Very low	72 Å²	72	112.6 Å²	112.6	74%	0.742	67%	0.668	S	S	*	*			trans	44.4	110.2	156.1	0	0	0	0	0	122.1
813	S	29	Very low	37	Very low	76 Å²	76	108.7 Å²	108.7	53%	0.531	65%	0.652	S	S	.	*			trans	-165.7	110	137.9	179.2	0	0	0	0	111.2	G815 G816 M817	S813-G815 VanDerWaalsContact C-N 3.33Å; S813-G815 PolarHBondContact O-N 3.32Å; S813-G816 PolarHBondContact O-N 3.46Å; S813-M817 WeakPolarHBondContact O-CG 3.23Å; S813-M817 PolarHBondContact O-N 3.35Å
814	A	37.1	Very low	39.8	Very low	84 Å²	84	103.2 Å²	103.2	69%	0.694	64%	0.636	S	S	*	*	H	α-helix	trans	-69.5	-27.4	-178.4	0	0	0	0	0	113.6
815	G	37.9	Very low	42.8	Very low	56 Å²	56	99.8 Å²	99.8	58%	0.577	62%	0.617	S	S	*	*	H	α-helix	trans	-68.2	-44.9	174.1	0	0	0	0	0	112.3	S813 M817 Q819	S813-G815 VanDerWaalsContact C-N 3.33Å; S813-G815 PolarHBondContact O-N 3.32Å; G815-M817 PolarHBondContact O-N 2.82Å; G815-Q819 PolarHBondContact O-N 3.38Å
816	G	36.2	Very low	45.8	Very low	28 Å²	28	98.5 Å²	98.5	29%	0.289	61%	0.605	S	S	.	*	H	α-helix	trans	-65.2	-22.6	179.4	0	0	0	0	0	114.2	S813 K820	S813-G816 PolarHBondContact O-N 3.46Å; G816-K820 WeakPolarHBondContact O-CB 3.31Å; G816-K820 WeakPolarHBondContact O-CG 3.49Å; G816-K820 PolarHBondContact O-N 3.33Å
817	M	34.9	Very low	47.6	Very low	131 Å²	131	96 Å²	96	65%	0.645	59%	0.585	S	S	*	*	H	α-helix	trans	-69.7	-49	179	-73.3	170.5	166	0	0	112.6	S813 G815 Q819 K820 M821	S813-M817 WeakPolarHBondContact O-CG 3.23Å; S813-M817 PolarHBondContact O-N 3.35Å; G815-M817 PolarHBondContact O-N 2.82Å; M817-Q819 VanDerWaalsContact C-N 3.32Å; M817-Q819 PolarHBondContact O-N 2.95Å; M817-K820 PolarHBondContact O-N 2.91Å; M817-M821 WeakPolarHBondContact O-CB 3.1Å; M817-M821 PolarHBondContact O-N 2.83Å
818	K	47.4	Very low	50.5	Low	170 Å²	170	91.8 Å²	91.8	74%	0.739	55%	0.549	S	S	*	.	H	α-helix	trans	-61	-42.2	175.2	-79.8	-173.6	175	-177.1	0	111.4	M821 L822	K818-M821 PolarHBondContact O-N 3.26Å; K818-L822 WeakPolarHBondContact O-CG 3.07Å; K818-L822 PolarHBondContact O-N 3.4Å
819	Q	51.4	Low	53.5	Low	108 Å²	108	87.7 Å²	87.7	51%	0.505	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-40.6	179.3	-153.6	173.8	25.4	0	0	112.2	G815 M817 M821 L822 L823	G815-Q819 PolarHBondContact O-N 3.38Å; M817-Q819 VanDerWaalsContact C-N 3.32Å; M817-Q819 PolarHBondContact O-N 2.95Å; Q819-M821 PolarHBondContact O-N 2.93Å; Q819-L822 PolarHBondContact O-N 2.9Å; Q819-L823 VanDerWaalsContact O-CG 3.3Å; Q819-L823 WeakPolarHBondContact O-CG 3.48Å; Q819-L823 PolarHBondContact O-N 2.84Å
820	K	49.1	Very low	56.2	Low	164 Å²	164	81.3 Å²	81.3	71%	0.713	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-36.7	171.9	-81.9	-175.1	172.6	-175.6	0	113.4	G816 M817 L823	G816-K820 WeakPolarHBondContact O-CB 3.31Å; G816-K820 WeakPolarHBondContact O-CG 3.49Å; G816-K820 PolarHBondContact O-N 3.33Å; M817-K820 PolarHBondContact O-N 2.91Å; K820-L823 PolarHBondContact O-N 3.03Å
821	M	49.5	Very low	58.8	Low	113 Å²	113	80.2 Å²	80.2	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-73.1	-27.6	178.2	-163.4	173.9	-177	0	0	112.7	M817 K818 Q819 L823 I827	M817-M821 WeakPolarHBondContact O-CB 3.1Å; M817-M821 PolarHBondContact O-N 2.83Å; K818-M821 PolarHBondContact O-N 3.26Å; Q819-M821 PolarHBondContact O-N 2.93Å; M821-L823 VanDerWaalsContact C-N 3.32Å; M821-I827 HydrophobicContact CE-CD1 4.08Å; M821-I827 HydrophobicContact CG-CD1 3.73Å; M821-I827 HydrophobicContact CG-CG2 4.36Å
822	L	55.9	Low	61.5	Low	50 Å²	50	77.6 Å²	77.6	26%	0.262	44%	0.437	S	S	.	.	H	α-helix	trans	-76.2	-15.5	170.1	-69.7	169.8	0	0	0	113.7	K818 Q819	K818-L822 WeakPolarHBondContact O-CG 3.07Å; K818-L822 PolarHBondContact O-N 3.4Å; Q819-L822 PolarHBondContact O-N 2.9Å
823	L	62.4	Low	64.1	Low	77 Å²	77	78.9 Å²	78.9	40%	0.403	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.3	179.7	-77.4	165.2	0	0	0	113.8	Q819 K820 M821 W885 R889	Q819-L823 VanDerWaalsContact O-CG 3.3Å; Q819-L823 WeakPolarHBondContact O-CG 3.48Å; Q819-L823 PolarHBondContact O-N 2.84Å; K820-L823 PolarHBondContact O-N 3.03Å; M821-L823 VanDerWaalsContact C-N 3.32Å; L823-W885 WeakPolarHBondContact O-CH2 3.38Å; L823-R889 PolarHBondContact O-NH1 2.99Å
824	D	82.6	Confident	66.2	Low	63 Å²	63	79.2 Å²	79.2	34%	0.337	43%	0.426	S	S	.	.			trans	-82.1	121.8	169.4	-175	-10.3	0	0	0	110.9	N826 I827 Y828	D824-N826 VanDerWaalsContact C-N 3.26Å; D824-N826 PolarHBondContact O-N 2.93Å; D824-N826 PolarHBondContact OD1-N 3.14Å; D824-N826 PolarHBondContact OD1-ND2 2.93Å; D824-I827 HydrophobicContact CB-CB 4.28Å; D824-I827 HydrophobicContact CB-CD1 4.01Å; D824-I827 HydrophobicContact CB-CG1 4.07Å; D824-I827 PolarHBondContact O-N 3.09Å; D824-Y828 WeakPolarHBondContact O-CB 3.2Å; D824-Y828 PolarHBondContact O-N 3.13Å
825	Y	86.9	Confident	67.1	Low	78 Å²	78	78.3 Å²	78.3	31%	0.306	41%	0.414	S	S	.	.	H	α-helix	trans	-57.4	-37.1	178.5	173.4	-104.5	0	0	0	112.9	Y828 M829 R882 W885	Y825-Y828 PolarHBondContact O-N 2.93Å; Y825-M829 HydrophobicContact CD1-CG 4.34Å; Y825-M829 HydrophobicContact CD2-CG 3.84Å; Y825-M829 HydrophobicContact CE1-CG 3.96Å; Y825-M829 HydrophobicContact CE2-CG 3.41Å; Y825-M829 VanDerWaalsContact CE2-CG 3.41Å; Y825-M829 HydrophobicContact CE2-SD 3.96Å; Y825-M829 HydrophobicContact CG-CG 4.3Å; Y825-M829 VanDerWaalsContact CZ-CG 3.49Å; Y825-M829 WeakPolarHBondContact O-CB 3.27Å; Y825-M829 VanDerWaalsContact O-CG 3.31Å; Y825-M829 WeakPolarHBondContact O-CG 3.28Å; Y825-M829 PolarHBondContact O-N 3.25Å; Y825-R882 VanDerWaalsContact CZ-NH1 3.27Å; Y825-R882 WeakPolarHBondContact OH-CD 3.38Å; Y825-R882 PolarHBondContact OH-NH1 3.3Å; Y825-W885 AromaticContact CD2-CD1 3.82Å; Y825-W885 HydrophobicContact CD2-CD2 4.02Å; Y825-W885 AromaticContact CD2-CE2 3.73Å; Y825-W885 AromaticContact CD2-CG 3.99Å; Y825-W885 HydrophobicContact CD2-CG 3.99Å; Y825-W885 HydrophobicContact CD2-CZ2 4.23Å; Y825-W885 AromaticContact CD2-NE1 3.65Å; Y825-W885 HydrophobicContact CE2-CG 4.42Å; Y825-W885 HydrophobicContact CG-CZ2 4.42Å
826	N	87.9	Confident	67.6	Low	110 Å²	110	82 Å²	82	59%	0.588	42%	0.416	S	S	*	.	H	α-helix	trans	-70.8	-43.9	-175.8	-54.4	-77.7	0	0	0	110.8	D824 Y828 M829 A830	D824-N826 VanDerWaalsContact C-N 3.26Å; D824-N826 PolarHBondContact O-N 2.93Å; D824-N826 PolarHBondContact OD1-N 3.14Å; D824-N826 PolarHBondContact OD1-ND2 2.93Å; N826-Y828 VanDerWaalsContact C-N 3.33Å; N826-M829 PolarHBondContact O-N 3.25Å; N826-A830 WeakPolarHBondContact O-CB 3.38Å; N826-A830 PolarHBondContact O-N 2.96Å
827	I	86.3	Confident	67.8	Low	62 Å²	62	83.2 Å²	83.2	32%	0.318	42%	0.423	S	S	.	.	H	α-helix	trans	-67.3	-35.8	176.9	-58.1	179.1	0	0	0	110.9	M821 D824	M821-I827 HydrophobicContact CE-CD1 4.08Å; M821-I827 HydrophobicContact CG-CD1 3.73Å; M821-I827 HydrophobicContact CG-CG2 4.36Å; D824-I827 HydrophobicContact CB-CB 4.28Å; D824-I827 HydrophobicContact CB-CD1 4.01Å; D824-I827 HydrophobicContact CB-CG1 4.07Å; D824-I827 PolarHBondContact O-N 3.09Å
828	Y	86.6	Confident	67.8	Low	5 Å²	5	84.6 Å²	84.6	2%	0.02	43%	0.432	C	S	.	.	H	α-helix	trans	-66.5	-51.3	173.5	172.4	-90.2	0	0	0	112	D824 Y825 N826 A830 K831 Y832 G881 W885 V928	D824-Y828 WeakPolarHBondContact O-CB 3.2Å; D824-Y828 PolarHBondContact O-N 3.13Å; Y825-Y828 PolarHBondContact O-N 2.93Å; N826-Y828 VanDerWaalsContact C-N 3.33Å; Y828-A830 VanDerWaalsContact C-N 3.34Å; Y828-A830 PolarHBondContact O-N 3.49Å; Y828-K831 WeakPolarHBondContact O-CB 3.2Å; Y828-K831 PolarHBondContact O-N 3.15Å; Y828-Y832 HydrophobicContact CD1-CE2 4.21Å; Y828-Y832 HydrophobicContact CD2-CE2 4.33Å; Y828-Y832 HydrophobicContact CE1-CD2 4.35Å; Y828-Y832 AromaticContact CE1-CE2 3.84Å; Y828-Y832 HydrophobicContact CE1-CE2 3.84Å; Y828-Y832 AromaticContact CE2-CE2 3.99Å; Y828-Y832 HydrophobicContact CE2-CE2 3.99Å; Y828-Y832 HydrophobicContact CG-CE2 4.45Å; Y828-Y832 AromaticContact CZ-CE2 3.74Å; Y828-Y832 WeakPolarHBondContact O-CD2 3.31Å; Y828-G881 WeakPolarHBondContact CE1-O 3.33Å; Y828-G881 PolarHBondContact OH-O 2.88Å; Y828-W885 HydrophobicContact CD1-CB 4.49Å; Y828-W885 HydrophobicContact CD1-CD2 4.1Å; Y828-W885 AromaticContact CD1-CE3 3.38Å; Y828-W885 HydrophobicContact CD1-CE3 3.38Å; Y828-W885 AromaticContact CD1-CZ3 3.83Å; Y828-W885 HydrophobicContact CD1-CZ3 3.83Å; Y828-W885 AromaticContact CD2-CE3 3.66Å; Y828-W885 HydrophobicContact CD2-CE3 3.66Å; Y828-W885 AromaticContact CD2-CZ3 3.62Å; Y828-W885 HydrophobicContact CD2-CZ3 3.62Å; Y828-W885 HydrophobicContact CE1-CB 3.89Å; Y828-W885 HydrophobicContact CE1-CD2 4.28Å; Y828-W885 AromaticContact CE1-CE3 3.66Å; Y828-W885 HydrophobicContact CE1-CE3 3.66Å; Y828-W885 HydrophobicContact CE1-CG 4.44Å; Y828-W885 HydrophobicContact CE1-CZ3 4.47Å; Y828-W885 AromaticContact CE2-CE3 3.91Å; Y828-W885 HydrophobicContact CE2-CE3 3.91Å; Y828-W885 HydrophobicContact CE2-CZ3 4.29Å; Y828-W885 HydrophobicContact CG-CD2 4.45Å; Y828-W885 AromaticContact CG-CE3 3.37Å; Y828-W885 HydrophobicContact CG-CE3 3.37Å; Y828-W885 HydrophobicContact CG-CH2 4.37Å; Y828-W885 AromaticContact CG-CZ3 3.34Å; Y828-W885 HydrophobicContact CG-CZ3 3.34Å; Y828-W885 AromaticContact CZ-CE3 3.9Å; Y828-V928 WeakPolarHBondContact OH-CG2 3.48Å
829	M	90.1	Very high	67.6	Low	19 Å²	19	82.1 Å²	82.1	9%	0.094	43%	0.433	C	S	.	.	H	α-helix	trans	-66.6	-32.4	-178.1	-75	-54.2	-50.3	0	0	113.2	Y825 N826 K831 Y832 V833 A878 R882	Y825-M829 HydrophobicContact CD1-CG 4.34Å; Y825-M829 HydrophobicContact CD2-CG 3.84Å; Y825-M829 HydrophobicContact CE1-CG 3.96Å; Y825-M829 HydrophobicContact CE2-CG 3.41Å; Y825-M829 VanDerWaalsContact CE2-CG 3.41Å; Y825-M829 HydrophobicContact CE2-SD 3.96Å; Y825-M829 HydrophobicContact CG-CG 4.3Å; Y825-M829 VanDerWaalsContact CZ-CG 3.49Å; Y825-M829 WeakPolarHBondContact O-CB 3.27Å; Y825-M829 VanDerWaalsContact O-CG 3.31Å; Y825-M829 WeakPolarHBondContact O-CG 3.28Å; Y825-M829 PolarHBondContact O-N 3.25Å; N826-M829 PolarHBondContact O-N 3.25Å; M829-K831 PolarHBondContact O-N 3.24Å; M829-K831 VanDerWaalsContact O-N 3.12Å; M829-Y832 PolarHBondContact O-N 3.09Å; M829-V833 HydrophobicContact CE-CG2 4.06Å; M829-V833 WeakPolarHBondContact O-CG2 3.31Å; M829-V833 PolarHBondContact O-N 2.91Å; M829-A878 HydrophobicContact CE-CB 4.34Å; M829-A878 WeakPolarHBondContact CE-O 3.46Å; M829-R882 HydrophobicContact CE-CB 4.45Å; M829-R882 HydrophobicContact SD-CB 4.36Å
830	A	86.1	Confident	66.8	Low	42 Å²	42	80.2 Å²	80.2	35%	0.347	44%	0.443	S	S	.	.	H	α-helix	trans	-52.6	-34.8	176.3	0	0	0	0	0	112.7	N826 Y828 Y832 V833 N834	N826-A830 WeakPolarHBondContact O-CB 3.38Å; N826-A830 PolarHBondContact O-N 2.96Å; Y828-A830 VanDerWaalsContact C-N 3.34Å; Y828-A830 PolarHBondContact O-N 3.49Å; A830-Y832 PolarHBondContact O-N 3.33Å; A830-V833 PolarHBondContact O-N 3.49Å; A830-N834 CarbonylContact O-C 3.59Å; A830-N834 PolarHBondContact O-N 2.86Å
831	K	84.3	Confident	65.9	Low	100 Å²	100	77.1 Å²	77.1	44%	0.435	44%	0.442	S	S	.	.	H	α-helix	trans	-65.1	-20.3	178.4	-57.7	178.5	-177.7	-178.9	0	115	Y828 M829	Y828-K831 WeakPolarHBondContact O-CB 3.2Å; Y828-K831 PolarHBondContact O-N 3.15Å; M829-K831 PolarHBondContact O-N 3.24Å; M829-K831 VanDerWaalsContact O-N 3.12Å
832	Y	82.9	Confident	65.7	Low	21 Å²	21	78.1 Å²	78.1	8%	0.082	46%	0.457	C	S	.	.	H	α-helix	trans	-111.6	-20.9	-177.7	-53.5	-79.7	0	0	0	112.2	Y828 M829 A830 V928	Y828-Y832 HydrophobicContact CD1-CE2 4.21Å; Y828-Y832 HydrophobicContact CD2-CE2 4.33Å; Y828-Y832 HydrophobicContact CE1-CD2 4.35Å; Y828-Y832 AromaticContact CE1-CE2 3.84Å; Y828-Y832 HydrophobicContact CE1-CE2 3.84Å; Y828-Y832 AromaticContact CE2-CE2 3.99Å; Y828-Y832 HydrophobicContact CE2-CE2 3.99Å; Y828-Y832 HydrophobicContact CG-CE2 4.45Å; Y828-Y832 AromaticContact CZ-CE2 3.74Å; Y828-Y832 WeakPolarHBondContact O-CD2 3.31Å; M829-Y832 PolarHBondContact O-N 3.09Å; A830-Y832 PolarHBondContact O-N 3.33Å; Y832-V928 HydrophobicContact CE1-CB 4.14Å; Y832-V928 WeakPolarHBondContact OH-CG2 3.33Å
833	V	82.6	Confident	64.6	Low	100 Å²	100	82 Å²	82	61%	0.606	48%	0.483	S	S	*	.	H	α-helix	trans	-93.4	-26.3	176.9	177.9	0	0	0	0	112.1	M829 A830 A878	M829-V833 HydrophobicContact CE-CG2 4.06Å; M829-V833 WeakPolarHBondContact O-CG2 3.31Å; M829-V833 PolarHBondContact O-N 2.91Å; A830-V833 PolarHBondContact O-N 3.49Å; V833-A878 HydrophobicContact CG2-CB 3.98Å
834	N	71.8	Confident	63.2	Low	82 Å²	82	82.4 Å²	82.4	44%	0.439	50%	0.497	S	S	.	.			trans	-136.1	93.4	175.5	-176.7	-6.6	0	0	0	110.8	A830 Q836 A837	A830-N834 CarbonylContact O-C 3.59Å; A830-N834 PolarHBondContact O-N 2.86Å; N834-Q836 PolarHBondContact O-N 3.21Å; N834-Q836 VanDerWaalsContact O-N 3.17Å; N834-Q836 PolarHBondContact OD1-N 2.87Å; N834-Q836 VanDerWaalsContact OD1-N 3.13Å; N834-A837 HydrophobicContact CB-CB 4.33Å; N834-A837 PolarHBondContact O-N 3.43Å
835	P	57.1	Low	61.6	Low	66 Å²	66	85.3 Å²	85.3	43%	0.429	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.3	179.1	-27.2	36.1	0	0	0	115	A837	P835-A837 VanDerWaalsContact C-N 3.34Å; P835-A837 PolarHBondContact O-N 2.86Å
836	Q	47.8	Very low	58.8	Low	133 Å²	133	89.2 Å²	89.2	62%	0.621	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.3	-176.4	-62.7	-160.1	-27.5	0	0	114.1	N834 L838 E868	N834-Q836 PolarHBondContact O-N 3.21Å; N834-Q836 VanDerWaalsContact O-N 3.17Å; N834-Q836 PolarHBondContact OD1-N 2.87Å; N834-Q836 VanDerWaalsContact OD1-N 3.13Å; Q836-L838 VanDerWaalsContact C-N 3.26Å; Q836-L838 PolarHBondContact O-N 3.32Å; Q836-E868 VanDerWaalsContact NE2-CD 3.32Å; Q836-E868 PolarHBondContact NE2-OE1 2.83Å; Q836-E868 PolarHBondContact NE2-OE2 2.87Å
837	A	39.3	Very low	56.2	Low	53 Å²	53	89 Å²	89	44%	0.438	55%	0.553	S	S	.	*			trans	-82.1	55.5	-177.4	0	0	0	0	0	113.7	N834 P835 P839	N834-A837 HydrophobicContact CB-CB 4.33Å; N834-A837 PolarHBondContact O-N 3.43Å; P835-A837 VanDerWaalsContact C-N 3.34Å; P835-A837 PolarHBondContact O-N 2.86Å; A837-P839 WeakPolarHBondContact O-CD 3.4Å
838	L	36.2	Very low	54.2	Low	161 Å²	161	91.8 Å²	91.8	84%	0.843	58%	0.575	S	S	*	*			trans	-71.3	123.8	170.1	-167.9	75.3	0	0	0	109.8	Q836 G840	Q836-L838 VanDerWaalsContact C-N 3.26Å; Q836-L838 PolarHBondContact O-N 3.32Å; L838-G840 PolarHBondContact O-N 3.41Å
839	P	42.9	Very low	51.4	Low	117 Å²	117	95.4 Å²	95.4	76%	0.76	61%	0.614	S	S	*	*			trans	-72.8	93.6	-178.9	-18.8	33.6	0	0	0	112.2	A837	A837-P839 WeakPolarHBondContact O-CD 3.4Å
840	G	34.6	Very low	48.7	Very low	68 Å²	68	103.3 Å²	103.3	70%	0.701	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-58.1	149.4	165.4	0	0	0	0	0	111.7	L838	L838-G840 PolarHBondContact O-N 3.41Å
841	S	29.2	Very low	45.9	Very low	100 Å²	100	107.8 Å²	107.8	70%	0.699	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-64.8	141.8	-177.6	50.5	0	0	0	0	112.7	T843	S841-T843 PolarHBondContact O-N 2.84Å
842	P	46.5	Very low	44.2	Very low	134 Å²	134	108.3 Å²	108.3	87%	0.87	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-71.5	121.7	174.7	29.9	-33.7	0	0	0	110.9
843	T	32.6	Very low	41.7	Very low	130 Å²	130	115.9 Å²	115.9	80%	0.798	72%	0.723	S	S	*	*			trans	-116.5	159.6	165.8	-54	0	0	0	0	108.5	S841	S841-T843 PolarHBondContact O-N 2.84Å
844	A	32.1	Very low	39.2	Very low	86 Å²	86	117 Å²	117	71%	0.711	74%	0.735	S	S	*	*			trans	-60.4	150.5	-160.8	0	0	0	0	0	115.4
845	P	48.9	Very low	37.6	Very low	125 Å²	125	118.6 Å²	118.6	81%	0.812	75%	0.753	S	S	*	*			trans	-77.7	143.2	170.9	33.5	-33.7	0	0	0	110.9
846	D	29.2	Very low	37.1	Very low	159 Å²	159	120.9 Å²	120.9	85%	0.85	77%	0.767	S	S	*	*			trans	-131.1	162.9	170.9	-124.5	-43	0	0	0	112.5
847	S	32.2	Very low	36.3	Very low	106 Å²	106	124 Å²	124	74%	0.741	78%	0.779	S	S	*	*			trans	-88.9	152.3	-150.9	-62.7	0	0	0	0	116	G849	S847-G849 PolarHBondContact O-N 3.47Å
848	P	45.7	Very low	35.9	Very low	121 Å²	121	125.9 Å²	125.9	79%	0.786	79%	0.794	S	S	*	*			trans	-78.1	113	-177.1	30.7	-34.7	0	0	0	113.1
849	G	26.9	Very low	35.8	Very low	80 Å²	80	124.3 Å²	124.3	83%	0.825	79%	0.792	S	S	*	*			trans	-84.9	116.7	168.8	0	0	0	0	0	112.1	S847	S847-G849 PolarHBondContact O-N 3.47Å
850	H	33.5	Very low	35.5	Very low	186 Å²	186	128 Å²	128	86%	0.861	80%	0.796	S	S	*	*			trans	-84.4	124.1	170.8	-89.5	-91.8	0	0	0	111.6
851	T	28.5	Very low	35.4	Very low	136 Å²	136	134.1 Å²	134.1	83%	0.834	80%	0.803	S	S	*	*			trans	-140.3	138.9	147.6	36.5	0	0	0	0	109.6
852	P	47.4	Very low	35.9	Very low	110 Å²	110	136.7 Å²	136.7	71%	0.714	81%	0.808	S	S	*	*			trans	-101.8	-178.6	179.2	39.3	-34.8	0	0	0	113.6
853	E	30.7	Very low	35.5	Very low	181 Å²	181	135.4 Å²	135.4	85%	0.846	80%	0.8	S	S	*	*			trans	88.6	146.2	160.2	-58.9	-172.5	122.5	0	0	120.6
854	S	30.6	Very low	35.2	Very low	122 Å²	122	139.9 Å²	139.9	85%	0.853	80%	0.802	S	S	*	*			trans	68.8	91.8	171.7	67	0	0	0	0	120
855	S	36.9	Very low	35.1	Very low	117 Å²	117	141 Å²	141	82%	0.818	81%	0.805	S	S	*	*			trans	-91.3	159.8	136.4	-69.7	0	0	0	0	107.9
856	P	47.8	Very low	34.3	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	80%	0.802	S	S	*	*			cis	-153.7	-171.2	43.6	43.9	-22.4	0	0	0	118.4
857	K	30.6	Very low	34.7	Very low	199 Å²	199	140.9 Å²	140.9	87%	0.865	80%	0.8	S	S	*	*			trans	69.1	100.8	161	-68.2	-176.8	177.2	-178.3	0	119.7
858	A	31.9	Very low	35.2	Very low	92 Å²	92	143 Å²	143	76%	0.76	80%	0.798	S	S	*	*			trans	178.2	74.2	131.9	0	0	0	0	0	110.8
859	T	33.2	Very low	35.1	Very low	128 Å²	128	141.5 Å²	141.5	79%	0.785	80%	0.796	S	S	*	*				51.5	103.3	105.8	57.5	0	0	0	0	118
860	K	35.8	Very low	36.5	Very low	196 Å²	196	142 Å²	142	85%	0.852	79%	0.792	S	S	*	*			trans	61.4	104.6	149.9	-62.1	-179.4	-179.8	179.7	0	117
861	K	32.6	Very low	38.2	Very low	195 Å²	195	137.1 Å²	137.1	85%	0.848	77%	0.77	S	S	*	*				88.5	106	65.2	-85.3	-170	175.6	-168.1	0	113
862	L	40.1	Very low	40.4	Very low	155 Å²	155	135.1 Å²	135.1	81%	0.812	76%	0.759	S	S	*	*			trans	-133.3	117	136.7	-163.1	107.7	0	0	0	108.3
863	P	37.6	Very low	42.3	Very low	107 Å²	107	131 Å²	131	70%	0.695	73%	0.731	S	S	*	*			trans	-116.2	135.4	148.3	0.1	20.6	0	0	0	109.4
864	R	27.6	Very low	44.9	Very low	223 Å²	223	123.5 Å²	123.5	84%	0.842	70%	0.699	S	S	*	*			trans	-66.4	137.9	163.8	-79.5	-177.7	166.8	91	-2.2	108.9	S866	R864-S866 PolarHBondContact O-N 2.9Å
865	S	29.4	Very low	47.7	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	69%	0.692	S	S	*	*			trans	-68.5	108.8	165.1	47.5	0	0	0	0	109.8
866	S	32.9	Very low	50.3	Low	108 Å²	108	122.5 Å²	122.5	76%	0.755	66%	0.662	S	S	*	*			trans	-102.8	91.9	148	-174.9	0	0	0	0	105.9	R864 E868	R864-S866 PolarHBondContact O-N 2.9Å; S866-E868 PolarHBondContact O-N 3.48Å; S866-E868 VanDerWaalsContact O-N 3.07Å
867	E	36.2	Very low	52.4	Low	175 Å²	175	117.4 Å²	117.4	82%	0.818	63%	0.629	S	S	*	*			trans	-74	95	169.3	-68.2	-175.8	136.7	0	0	107.7	A869	E867-A869 PolarHBondContact O-N 3.24Å
868	E	43.1	Very low	55.4	Low	150 Å²	150	108.8 Å²	108.8	70%	0.701	60%	0.595	S	S	*	*			trans	-64	87.1	157.3	-75.4	-175.5	106.2	0	0	107.3	Q836 S866 A870	Q836-E868 VanDerWaalsContact NE2-CD 3.32Å; Q836-E868 PolarHBondContact NE2-OE1 2.83Å; Q836-E868 PolarHBondContact NE2-OE2 2.87Å; S866-E868 PolarHBondContact O-N 3.48Å; S866-E868 VanDerWaalsContact O-N 3.07Å; E868-A870 PolarHBondContact O-N 2.87Å; E868-A870 VanDerWaalsContact O-N 3.15Å
869	A	43.4	Very low	58.2	Low	89 Å²	89	110.3 Å²	110.3	74%	0.736	59%	0.585	S	S	*	*			trans	-56	120.3	178	0	0	0	0	0	109	E867 E871	E867-A869 PolarHBondContact O-N 3.24Å; A869-E871 PolarHBondContact O-N 2.8Å
870	A	56.6	Low	61.1	Low	90 Å²	90	106 Å²	106	74%	0.744	56%	0.557	S	S	*	*			trans	-56.7	123.9	-179.6	0	0	0	0	0	109.8	E868 P872	E868-A870 PolarHBondContact O-N 2.87Å; E868-A870 VanDerWaalsContact O-N 3.15Å; A870-P872 WeakPolarHBondContact O-CD 3.39Å
871	E	69	Low	63.7	Low	85 Å²	85	96.7 Å²	96.7	40%	0.397	52%	0.516	S	S	.	.			trans	-46	107.2	179.8	-70	-179.2	169.4	0	0	110	A869 E873 A874	A869-E871 PolarHBondContact O-N 2.8Å; E871-E873 PolarHBondContact O-N 3.32Å; E871-E873 VanDerWaalsContact O-N 3.14Å; E871-A874 HydrophobicContact CB-CB 4.08Å; E871-A874 WeakPolarHBondContact O-CB 3.32Å; E871-A874 PolarHBondContact O-N 3.39Å
872	P	75.8	Confident	66.6	Low	93 Å²	93	91.9 Å²	91.9	60%	0.604	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.5	-174.1	22.5	-27.8	0	0	0	112.3	A870 W875	A870-P872 WeakPolarHBondContact O-CD 3.39Å; P872-W875 PolarHBondContact O-NE1 2.6Å
873	E	86.2	Confident	69.1	Low	25 Å²	25	87.3 Å²	87.3	12%	0.117	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.1	172.5	-60.1	79.5	-176.8	0	0	113.9	E871 W875 V876 N877 I931 R933 A934	E871-E873 PolarHBondContact O-N 3.32Å; E871-E873 VanDerWaalsContact O-N 3.14Å; E873-W875 PolarHBondContact O-N 2.85Å; E873-W875 VanDerWaalsContact O-N 3.16Å; E873-V876 WeakPolarHBondContact O-CA 3.48Å; E873-V876 WeakPolarHBondContact O-CB 3.41Å; E873-V876 PolarHBondContact O-N 3.12Å; E873-N877 PolarHBondContact O-N 2.79Å; E873-I931 HydrophobicContact CB-CG2 4.26Å; E873-I931 HydrophobicContact CG-CG2 4.01Å; E873-R933 WeakPolarHBondContact OE1-CA 3Å; E873-A934 HydrophobicContact CG-CB 4.21Å; E873-A934 PolarHBondContact OE1-N 2.76Å
874	A	86.5	Confident	71.7	Confident	22 Å²	22	84.6 Å²	84.6	18%	0.182	45%	0.448	C	S	.	.	H	α-helix	trans	-56.4	-34.9	-177.7	0	0	0	0	0	113.3	E871 V876 N877 A878	E871-A874 HydrophobicContact CB-CB 4.08Å; E871-A874 WeakPolarHBondContact O-CB 3.32Å; E871-A874 PolarHBondContact O-N 3.39Å; A874-V876 VanDerWaalsContact C-N 3.3Å; A874-V876 PolarHBondContact O-N 3.02Å; A874-N877 PolarHBondContact O-N 3.14Å; A874-A878 WeakPolarHBondContact O-CB 3.39Å; A874-A878 PolarHBondContact O-N 2.95Å
875	W	89.7	Confident	74.6	Confident	187 Å²	187	75.1 Å²	75.1	71%	0.708	41%	0.413	S	S	*	.	H	α-helix	trans	-65.5	-33.8	175.4	74.4	-93.3	0	0	0	112.3	P872 E873 F879	P872-W875 PolarHBondContact O-NE1 2.6Å; E873-W875 PolarHBondContact O-N 2.85Å; E873-W875 VanDerWaalsContact O-N 3.16Å; W875-F879 WeakPolarHBondContact O-CB 3.33Å; W875-F879 PolarHBondContact O-N 3Å
876	V	91.3	Very high	77.6	Confident	31 Å²	31	73.5 Å²	73.5	19%	0.188	40%	0.395	C	S	.	.	H	α-helix	trans	-71.3	-43.2	175.1	-159.8	0	0	0	0	109.4	E873 A874 A878 F879 L880 I931	E873-V876 WeakPolarHBondContact O-CA 3.48Å; E873-V876 WeakPolarHBondContact O-CB 3.41Å; E873-V876 PolarHBondContact O-N 3.12Å; A874-V876 VanDerWaalsContact C-N 3.3Å; A874-V876 PolarHBondContact O-N 3.02Å; V876-A878 VanDerWaalsContact C-N 3.3Å; V876-A878 PolarHBondContact O-N 2.92Å; V876-F879 PolarHBondContact O-N 3.47Å; V876-L880 HydrophobicContact CG1-CD1 4.29Å; V876-L880 HydrophobicContact CG1-CG 4.47Å; V876-L880 WeakPolarHBondContact O-CB 3.19Å; V876-L880 VanDerWaalsContact O-CG 3.32Å; V876-L880 WeakPolarHBondContact O-CG 3.27Å; V876-L880 PolarHBondContact O-N 2.85Å; V876-I931 HydrophobicContact CB-CD1 4.29Å; V876-I931 HydrophobicContact CG1-CD1 3.59Å
877	N	92	Very high	80.3	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.037	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-36.9	175.4	-70.7	-35.1	0	0	0	111.9	E873 A874 G881 K930 I931	E873-N877 PolarHBondContact O-N 2.79Å; A874-N877 PolarHBondContact O-N 3.14Å; N877-G881 PolarHBondContact O-N 3.46Å; N877-K930 WeakPolarHBondContact OD1-CA 3.23Å; N877-I931 PolarHBondContact ND2-O 3.36Å; N877-I931 PolarHBondContact OD1-N 2.86Å; N877-I931 PolarHBondContact OD1-O 3.26Å
878	A	92.1	Very high	82.9	Confident	18 Å²	18	64.1 Å²	64.1	15%	0.149	34%	0.339	C	S	.	.	H	α-helix	trans	-69.1	-41	172	0	0	0	0	0	112.7	M829 V833 A874 V876 G881 R882	M829-A878 HydrophobicContact CE-CB 4.34Å; M829-A878 WeakPolarHBondContact CE-O 3.46Å; V833-A878 HydrophobicContact CG2-CB 3.98Å; A874-A878 WeakPolarHBondContact O-CB 3.39Å; A874-A878 PolarHBondContact O-N 2.95Å; V876-A878 VanDerWaalsContact C-N 3.3Å; V876-A878 PolarHBondContact O-N 2.92Å; A878-G881 PolarHBondContact O-N 3.07Å; A878-R882 PolarHBondContact O-N 3.4Å
879	F	92.3	Very high	84.9	Confident	124 Å²	124	62.5 Å²	62.5	54%	0.544	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-42.1	174.9	177.8	-97.9	0	0	0	112.3	W875 V876 R882 T883	W875-F879 WeakPolarHBondContact O-CB 3.33Å; W875-F879 PolarHBondContact O-N 3Å; V876-F879 PolarHBondContact O-N 3.47Å; F879-R882 PolarHBondContact O-N 2.86Å; F879-T883 HydrophobicContact CE1-CG2 4.08Å; F879-T883 HydrophobicContact CE2-CG2 4.26Å; F879-T883 HydrophobicContact CZ-CG2 3.91Å; F879-T883 PolarHBondContact O-N 3.15Å; F879-T883 PolarHBondContact O-OG1 3.15Å
880	L	92.1	Very high	87.1	Confident	38 Å²	38	63 Å²	63	20%	0.199	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-45.4	171.9	-71.5	172.9	0	0	0	110.7	V876 R882 T883 F884 V928 I931	V876-L880 HydrophobicContact CG1-CD1 4.29Å; V876-L880 HydrophobicContact CG1-CG 4.47Å; V876-L880 WeakPolarHBondContact O-CB 3.19Å; V876-L880 VanDerWaalsContact O-CG 3.32Å; V876-L880 WeakPolarHBondContact O-CG 3.27Å; V876-L880 PolarHBondContact O-N 2.85Å; L880-R882 PolarHBondContact O-N 3.15Å; L880-T883 WeakPolarHBondContact CA-OG1 3.43Å; L880-T883 PolarHBondContact O-N 2.99Å; L880-T883 PolarHBondContact O-OG1 2.81Å; L880-F884 HydrophobicContact CD2-CE2 4.15Å; L880-F884 VanDerWaalsContact O-CB 3.3Å; L880-F884 WeakPolarHBondContact O-CB 3.16Å; L880-F884 VanDerWaalsContact O-CD2 3.3Å; L880-F884 WeakPolarHBondContact O-CD2 3.36Å; L880-F884 PolarHBondContact O-N 3.04Å; L880-V928 HydrophobicContact CB-CG1 3.96Å; L880-I931 HydrophobicContact CD1-CD1 3.79Å; L880-I931 HydrophobicContact CD1-CG1 4.18Å
881	G	92	Very high	88.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-53.3	-51	171.5	0	0	0	0	0	112.4	Y828 N877 A878 T883 F884 W885	Y828-G881 WeakPolarHBondContact CE1-O 3.33Å; Y828-G881 PolarHBondContact OH-O 2.88Å; N877-G881 PolarHBondContact O-N 3.46Å; A878-G881 PolarHBondContact O-N 3.07Å; G881-T883 VanDerWaalsContact C-N 3.33Å; G881-T883 PolarHBondContact O-N 2.89Å; G881-F884 PolarHBondContact O-N 2.93Å; G881-W885 WeakPolarHBondContact O-CB 3.42Å; G881-W885 PolarHBondContact O-N 3.46Å
882	R	92.7	Very high	89.8	Confident	94 Å²	94	68.3 Å²	68.3	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-39.5	179.3	177.2	60.1	-110.4	-159.8	-5.1	113.3	Y825 M829 A878 F879 L880 D886	Y825-R882 VanDerWaalsContact CZ-NH1 3.27Å; Y825-R882 WeakPolarHBondContact OH-CD 3.38Å; Y825-R882 PolarHBondContact OH-NH1 3.3Å; M829-R882 HydrophobicContact CE-CB 4.45Å; M829-R882 HydrophobicContact SD-CB 4.36Å; A878-R882 PolarHBondContact O-N 3.4Å; F879-R882 PolarHBondContact O-N 2.86Å; L880-R882 PolarHBondContact O-N 3.15Å; R882-D886 IonicContact CZ-OD2 3.18Å; R882-D886 IonicContact NE-OD2 3.69Å; R882-D886 VanDerWaalsContact NH2-CG 3.35Å; R882-D886 IonicContact NH2-OD1 3.62Å; R882-D886 PolarHBondContact NH2-OD1 2.82Å; R882-D886 IonicContact NH2-OD2 2.73Å; R882-D886 PolarHBondContact NH2-OD2 3.37Å
883	T	92.5	Very high	90.5	Very high	58 Å²	58	68.6 Å²	68.6	36%	0.356	31%	0.305	S	S	.	.	H	α-helix	trans	-78.6	-39.5	179.9	49.5	0	0	0	0	112.1	F879 L880 G881 W885 F887	F879-T883 HydrophobicContact CE1-CG2 4.08Å; F879-T883 HydrophobicContact CE2-CG2 4.26Å; F879-T883 HydrophobicContact CZ-CG2 3.91Å; F879-T883 PolarHBondContact O-N 3.15Å; F879-T883 PolarHBondContact O-OG1 3.15Å; L880-T883 WeakPolarHBondContact CA-OG1 3.43Å; L880-T883 PolarHBondContact O-N 2.99Å; L880-T883 PolarHBondContact O-OG1 2.81Å; G881-T883 VanDerWaalsContact C-N 3.33Å; G881-T883 PolarHBondContact O-N 2.89Å; T883-W885 VanDerWaalsContact C-N 3.31Å; T883-W885 PolarHBondContact O-N 3.03Å; T883-F887 PolarHBondContact O-N 2.98Å
884	F	92	Very high	90.7	Very high	51 Å²	51	68.4 Å²	68.4	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-71.2	-23.8	177.4	-85.2	-111.2	0	0	0	113.3	L880 G881 D886 F887 L888 V928 P929	L880-F884 HydrophobicContact CD2-CE2 4.15Å; L880-F884 VanDerWaalsContact O-CB 3.3Å; L880-F884 WeakPolarHBondContact O-CB 3.16Å; L880-F884 VanDerWaalsContact O-CD2 3.3Å; L880-F884 WeakPolarHBondContact O-CD2 3.36Å; L880-F884 PolarHBondContact O-N 3.04Å; G881-F884 PolarHBondContact O-N 2.93Å; F884-D886 VanDerWaalsContact C-N 3.31Å; F884-D886 PolarHBondContact O-N 3.06Å; F884-F887 HydrophobicContact CD1-CD1 4.1Å; F884-F887 HydrophobicContact CE1-CD1 4.29Å; F884-F887 HydrophobicContact CE1-CE1 4.37Å; F884-F887 PolarHBondContact O-N 3.03Å; F884-L888 HydrophobicContact CB-CD1 4.13Å; F884-L888 HydrophobicContact CB-CG 4.3Å; F884-L888 HydrophobicContact CD1-CD1 4.2Å; F884-L888 HydrophobicContact CD1-CD2 4.29Å; F884-L888 HydrophobicContact CD1-CG 4.12Å; F884-L888 VanDerWaalsContact O-CB 3.23Å; F884-L888 WeakPolarHBondContact O-CB 3.39Å; F884-L888 VanDerWaalsContact O-CG 3.23Å; F884-L888 WeakPolarHBondContact O-CG 3.3Å; F884-L888 PolarHBondContact O-N 2.78Å; F884-V928 HydrophobicContact CB-CB 4.35Å; F884-V928 HydrophobicContact CB-CG1 3.96Å; F884-V928 HydrophobicContact CB-CG2 3.46Å; F884-V928 VanDerWaalsContact CB-CG2 3.46Å; F884-V928 HydrophobicContact CD1-CG1 4.08Å; F884-V928 HydrophobicContact CD1-CG2 4.21Å; F884-V928 HydrophobicContact CD2-CG1 3.9Å; F884-V928 HydrophobicContact CE2-CG1 4.41Å; F884-V928 HydrophobicContact CG-CB 4.39Å; F884-V928 HydrophobicContact CG-CG1 3.71Å; F884-V928 HydrophobicContact CG-CG2 3.98Å; F884-P929 HydrophobicContact CE1-CG 4.44Å; F884-P929 HydrophobicContact CZ-CG 4.41Å
885	W	89.9	Confident	91	Very high	24 Å²	24	71.4 Å²	71.4	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-53.3	-47.2	174.1	178.7	-107.5	0	0	0	112.9	L823 Y825 Y828 G881 T883 R889	L823-W885 WeakPolarHBondContact O-CH2 3.38Å; Y825-W885 AromaticContact CD2-CD1 3.82Å; Y825-W885 HydrophobicContact CD2-CD2 4.02Å; Y825-W885 AromaticContact CD2-CE2 3.73Å; Y825-W885 AromaticContact CD2-CG 3.99Å; Y825-W885 HydrophobicContact CD2-CG 3.99Å; Y825-W885 HydrophobicContact CD2-CZ2 4.23Å; Y825-W885 AromaticContact CD2-NE1 3.65Å; Y825-W885 HydrophobicContact CE2-CG 4.42Å; Y825-W885 HydrophobicContact CG-CZ2 4.42Å; Y828-W885 HydrophobicContact CD1-CB 4.49Å; Y828-W885 HydrophobicContact CD1-CD2 4.1Å; Y828-W885 AromaticContact CD1-CE3 3.38Å; Y828-W885 HydrophobicContact CD1-CE3 3.38Å; Y828-W885 AromaticContact CD1-CZ3 3.83Å; Y828-W885 HydrophobicContact CD1-CZ3 3.83Å; Y828-W885 AromaticContact CD2-CE3 3.66Å; Y828-W885 HydrophobicContact CD2-CE3 3.66Å; Y828-W885 AromaticContact CD2-CZ3 3.62Å; Y828-W885 HydrophobicContact CD2-CZ3 3.62Å; Y828-W885 HydrophobicContact CE1-CB 3.89Å; Y828-W885 HydrophobicContact CE1-CD2 4.28Å; Y828-W885 AromaticContact CE1-CE3 3.66Å; Y828-W885 HydrophobicContact CE1-CE3 3.66Å; Y828-W885 HydrophobicContact CE1-CG 4.44Å; Y828-W885 HydrophobicContact CE1-CZ3 4.47Å; Y828-W885 AromaticContact CE2-CE3 3.91Å; Y828-W885 HydrophobicContact CE2-CE3 3.91Å; Y828-W885 HydrophobicContact CE2-CZ3 4.29Å; Y828-W885 HydrophobicContact CG-CD2 4.45Å; Y828-W885 AromaticContact CG-CE3 3.37Å; Y828-W885 HydrophobicContact CG-CE3 3.37Å; Y828-W885 HydrophobicContact CG-CH2 4.37Å; Y828-W885 AromaticContact CG-CZ3 3.34Å; Y828-W885 HydrophobicContact CG-CZ3 3.34Å; Y828-W885 AromaticContact CZ-CE3 3.9Å; G881-W885 WeakPolarHBondContact O-CB 3.42Å; G881-W885 PolarHBondContact O-N 3.46Å; T883-W885 VanDerWaalsContact C-N 3.31Å; T883-W885 PolarHBondContact O-N 3.03Å; W885-R889 WeakPolarHBondContact O-CB 3.4Å; W885-R889 VanDerWaalsContact O-CD 3.23Å; W885-R889 WeakPolarHBondContact O-CD 3.1Å; W885-R889 WeakPolarHBondContact O-CG 3.5Å
886	D	90.5	Very high	91	Very high	75 Å²	75	64.9 Å²	64.9	40%	0.401	30%	0.302	S	S	.	.	H	α-helix	trans	-80.3	-43	-179.7	-54.7	-55.9	0	0	0	110.5	R882 F884 L888 R889 E890	R882-D886 IonicContact CZ-OD2 3.18Å; R882-D886 IonicContact NE-OD2 3.69Å; R882-D886 VanDerWaalsContact NH2-CG 3.35Å; R882-D886 IonicContact NH2-OD1 3.62Å; R882-D886 PolarHBondContact NH2-OD1 2.82Å; R882-D886 IonicContact NH2-OD2 2.73Å; R882-D886 PolarHBondContact NH2-OD2 3.37Å; F884-D886 VanDerWaalsContact C-N 3.31Å; F884-D886 PolarHBondContact O-N 3.06Å; D886-L888 PolarHBondContact O-N 2.88Å; D886-R889 PolarHBondContact O-N 2.96Å; D886-E890 WeakPolarHBondContact O-CB 3.27Å; D886-E890 PolarHBondContact O-N 2.82Å
887	F	91.1	Very high	91	Very high	61 Å²	61	64.6 Å²	64.6	27%	0.268	30%	0.3	S	S	.	.	H	α-helix	trans	-57.5	-43.9	178	175.3	-94.4	0	0	0	113.6	T883 F884 R889 W893 V897 M924	T883-F887 PolarHBondContact O-N 2.98Å; F884-F887 HydrophobicContact CD1-CD1 4.1Å; F884-F887 HydrophobicContact CE1-CD1 4.29Å; F884-F887 HydrophobicContact CE1-CE1 4.37Å; F884-F887 PolarHBondContact O-N 3.03Å; F887-R889 VanDerWaalsContact C-N 3.32Å; F887-R889 PolarHBondContact O-N 3.12Å; F887-W893 HydrophobicContact CD2-CB 3.69Å; F887-W893 AromaticContact CD2-CD2 3.58Å; F887-W893 HydrophobicContact CD2-CD2 3.58Å; F887-W893 AromaticContact CD2-CE3 3.76Å; F887-W893 HydrophobicContact CD2-CE3 3.76Å; F887-W893 AromaticContact CD2-CG 3.54Å; F887-W893 HydrophobicContact CD2-CG 3.54Å; F887-W893 HydrophobicContact CE2-CB 3.89Å; F887-W893 HydrophobicContact CE2-CD2 4.02Å; F887-W893 AromaticContact CE2-CE3 3.76Å; F887-W893 HydrophobicContact CE2-CE3 3.76Å; F887-W893 HydrophobicContact CE2-CG 4.08Å; F887-W893 HydrophobicContact CG-CB 4.29Å; F887-W893 HydrophobicContact CG-CG 4.27Å; F887-W893 WeakPolarHBondContact O-CB 3.3Å; F887-V897 HydrophobicContact CE2-CG2 4.31Å; F887-V897 HydrophobicContact CZ-CG2 3.78Å; F887-M924 HydrophobicContact CE1-SD 4.35Å; F887-M924 VanDerWaalsContact O-CE 3.28Å; F887-M924 WeakPolarHBondContact O-CE 3.07Å
888	L	89.6	Confident	90.9	Very high	24 Å²	24	65.8 Å²	65.8	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-74.7	-21.5	-179.1	-66.9	174.3	0	0	0	112.9	F884 D886 M924 V928	F884-L888 HydrophobicContact CB-CD1 4.13Å; F884-L888 HydrophobicContact CB-CG 4.3Å; F884-L888 HydrophobicContact CD1-CD1 4.2Å; F884-L888 HydrophobicContact CD1-CD2 4.29Å; F884-L888 HydrophobicContact CD1-CG 4.12Å; F884-L888 VanDerWaalsContact O-CB 3.23Å; F884-L888 WeakPolarHBondContact O-CB 3.39Å; F884-L888 VanDerWaalsContact O-CG 3.23Å; F884-L888 WeakPolarHBondContact O-CG 3.3Å; F884-L888 PolarHBondContact O-N 2.78Å; D886-L888 PolarHBondContact O-N 2.88Å; L888-M924 HydrophobicContact CD2-CB 3.73Å; L888-V928 HydrophobicContact CD1-CG2 4.18Å
889	R	85.8	Confident	90.8	Very high	116 Å²	116	69.4 Å²	69.4	44%	0.438	32%	0.321	S	S	.	.	H	α-helix	trans	-101.7	-28.1	-173.4	-70	178	58	142.6	-1.2	114.1	L823 W885 D886 F887	L823-R889 PolarHBondContact O-NH1 2.99Å; W885-R889 WeakPolarHBondContact O-CB 3.4Å; W885-R889 VanDerWaalsContact O-CD 3.23Å; W885-R889 WeakPolarHBondContact O-CD 3.1Å; W885-R889 WeakPolarHBondContact O-CG 3.5Å; D886-R889 PolarHBondContact O-N 2.96Å; F887-R889 VanDerWaalsContact C-N 3.32Å; F887-R889 PolarHBondContact O-N 3.12Å
890	E	89.6	Confident	90.6	Very high	101 Å²	101	67.8 Å²	67.8	47%	0.472	31%	0.314	S	S	.	.			trans	-86.7	125.8	-177	178.6	-176.6	-142.8	0	0	111.6	D886 Y892 W893 A894	D886-E890 WeakPolarHBondContact O-CB 3.27Å; D886-E890 PolarHBondContact O-N 2.82Å; E890-Y892 PolarHBondContact O-N 3.2Å; E890-Y892 VanDerWaalsContact O-N 3.15Å; E890-W893 PolarHBondContact O-N 3.46Å; E890-W893 VanDerWaalsContact O-N 3.15Å; E890-W893 VanDerWaalsContact OE2-CD1 3.27Å; E890-W893 PolarHBondContact OE2-NE1 3.27Å; E890-A894 PolarHBondContact O-N 2.84Å
891	K	89.4	Confident	90.4	Very high	146 Å²	146	67.4 Å²	67.4	64%	0.635	31%	0.312	S	S	*	.	H	α-helix	trans	-61	-26.7	-176.7	178.9	163.3	179	163	0	113.9	W893 A894 D895	K891-W893 VanDerWaalsContact C-N 3.31Å; K891-W893 PolarHBondContact O-N 3.39Å; K891-A894 WeakPolarHBondContact O-CB 3.47Å; K891-A894 PolarHBondContact O-N 2.83Å; K891-A894 VanDerWaalsContact O-N 3.15Å; K891-D895 VanDerWaalsContact CE-CG 3.46Å; K891-D895 WeakPolarHBondContact CE-OD1 3.35Å; K891-D895 WeakPolarHBondContact CE-OD2 3.17Å; K891-D895 WeakPolarHBondContact CG-OD2 3.28Å; K891-D895 IonicContact NZ-OD1 2.71Å; K891-D895 PolarHBondContact O-N 2.89Å
892	Y	92.4	Very high	90.2	Very high	140 Å²	140	69.7 Å²	69.7	55%	0.549	32%	0.322	S	S	.	.	H	α-helix	trans	-53.8	-47.4	174.4	172	-101.1	0	0	0	112	E890 D895 V896	E890-Y892 PolarHBondContact O-N 3.2Å; E890-Y892 VanDerWaalsContact O-N 3.15Å; Y892-D895 PolarHBondContact O-N 2.86Å; Y892-V896 HydrophobicContact CD2-CG2 4.49Å; Y892-V896 HydrophobicContact CE1-CG2 4.19Å; Y892-V896 HydrophobicContact CE2-CG2 4.07Å; Y892-V896 VanDerWaalsContact O-CG2 3.3Å; Y892-V896 WeakPolarHBondContact O-CG2 3.48Å; Y892-V896 PolarHBondContact O-N 3.47Å
893	W	91.3	Very high	89.7	Confident	99 Å²	99	68.5 Å²	68.5	38%	0.375	32%	0.321	S	S	.	.	H	α-helix	trans	-69.6	-36.9	177.6	-61.2	104.7	0	0	0	112	F887 E890 K891 D895 V896 V897	F887-W893 HydrophobicContact CD2-CB 3.69Å; F887-W893 AromaticContact CD2-CD2 3.58Å; F887-W893 HydrophobicContact CD2-CD2 3.58Å; F887-W893 AromaticContact CD2-CE3 3.76Å; F887-W893 HydrophobicContact CD2-CE3 3.76Å; F887-W893 AromaticContact CD2-CG 3.54Å; F887-W893 HydrophobicContact CD2-CG 3.54Å; F887-W893 HydrophobicContact CE2-CB 3.89Å; F887-W893 HydrophobicContact CE2-CD2 4.02Å; F887-W893 AromaticContact CE2-CE3 3.76Å; F887-W893 HydrophobicContact CE2-CE3 3.76Å; F887-W893 HydrophobicContact CE2-CG 4.08Å; F887-W893 HydrophobicContact CG-CB 4.29Å; F887-W893 HydrophobicContact CG-CG 4.27Å; F887-W893 WeakPolarHBondContact O-CB 3.3Å; E890-W893 PolarHBondContact O-N 3.46Å; E890-W893 VanDerWaalsContact O-N 3.15Å; E890-W893 VanDerWaalsContact OE2-CD1 3.27Å; E890-W893 PolarHBondContact OE2-NE1 3.27Å; K891-W893 VanDerWaalsContact C-N 3.31Å; K891-W893 PolarHBondContact O-N 3.39Å; W893-D895 PolarHBondContact O-N 3.28Å; W893-V896 PolarHBondContact O-N 2.98Å; W893-V897 WeakPolarHBondContact O-CB 3.16Å; W893-V897 VanDerWaalsContact O-CG2 3.27Å; W893-V897 WeakPolarHBondContact O-CG2 3.11Å; W893-V897 PolarHBondContact O-N 3.24Å
894	A	90.8	Very high	89.1	Confident	20 Å²	20	68.8 Å²	68.8	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-46.7	172.9	0	0	0	0	0	111.9	E890 K891 V897 S898 M924	E890-A894 PolarHBondContact O-N 2.84Å; K891-A894 WeakPolarHBondContact O-CB 3.47Å; K891-A894 PolarHBondContact O-N 2.83Å; K891-A894 VanDerWaalsContact O-N 3.15Å; A894-V897 PolarHBondContact O-N 2.89Å; A894-S898 WeakPolarHBondContact O-CB 3.39Å; A894-S898 PolarHBondContact O-N 2.91Å; A894-M924 HydrophobicContact CB-CE 3.68Å; A894-M924 HydrophobicContact CB-SD 4.35Å
895	D	91.6	Very high	88.7	Confident	86 Å²	86	66.6 Å²	66.6	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-68.9	-36	179.5	-69.1	-22	0	0	0	111.4	K891 Y892 W893 K899	K891-D895 VanDerWaalsContact CE-CG 3.46Å; K891-D895 WeakPolarHBondContact CE-OD1 3.35Å; K891-D895 WeakPolarHBondContact CE-OD2 3.17Å; K891-D895 WeakPolarHBondContact CG-OD2 3.28Å; K891-D895 IonicContact NZ-OD1 2.71Å; K891-D895 PolarHBondContact O-N 2.89Å; Y892-D895 PolarHBondContact O-N 2.86Å; W893-D895 PolarHBondContact O-N 3.28Å; D895-K899 VanDerWaalsContact O-CB 3.26Å; D895-K899 WeakPolarHBondContact O-CB 3.48Å; D895-K899 PolarHBondContact O-N 3.09Å
896	V	89.9	Confident	88.3	Confident	50 Å²	50	69 Å²	69	30%	0.303	33%	0.329	S	S	.	.	H	α-helix	trans	-67	-44.8	173.7	168	0	0	0	0	112.2	Y892 W893 K899 K900	Y892-V896 HydrophobicContact CD2-CG2 4.49Å; Y892-V896 HydrophobicContact CE1-CG2 4.19Å; Y892-V896 HydrophobicContact CE2-CG2 4.07Å; Y892-V896 VanDerWaalsContact O-CG2 3.3Å; Y892-V896 WeakPolarHBondContact O-CG2 3.48Å; Y892-V896 PolarHBondContact O-N 3.47Å; W893-V896 PolarHBondContact O-N 2.98Å; V896-K899 PolarHBondContact O-N 3.35Å; V896-K900 PolarHBondContact O-N 2.89Å
897	V	90.8	Very high	87.5	Confident	25 Å²	25	68.1 Å²	68.1	15%	0.152	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-43	177.2	172.9	0	0	0	0	110.3	F887 W893 A894 K899 K900 I901 L922 M924 F956	F887-V897 HydrophobicContact CE2-CG2 4.31Å; F887-V897 HydrophobicContact CZ-CG2 3.78Å; W893-V897 WeakPolarHBondContact O-CB 3.16Å; W893-V897 VanDerWaalsContact O-CG2 3.27Å; W893-V897 WeakPolarHBondContact O-CG2 3.11Å; W893-V897 PolarHBondContact O-N 3.24Å; A894-V897 PolarHBondContact O-N 2.89Å; V897-K899 PolarHBondContact O-N 2.77Å; V897-K900 WeakPolarHBondContact O-CB 3.35Å; V897-K900 PolarHBondContact O-N 3.04Å; V897-I901 HydrophobicContact CG1-CD1 3.71Å; V897-I901 HydrophobicContact CG1-CG1 4.34Å; V897-I901 WeakPolarHBondContact O-CG1 3.49Å; V897-I901 PolarHBondContact O-N 3.04Å; V897-L922 HydrophobicContact CB-CD2 4.1Å; V897-L922 HydrophobicContact CG1-CD2 3.82Å; V897-M924 HydrophobicContact CB-SD 4.23Å; V897-M924 HydrophobicContact CG2-SD 4.13Å; V897-F956 HydrophobicContact CG1-CE2 4.43Å; V897-F956 HydrophobicContact CG1-CZ 4.15Å
898	S	91.1	Very high	86.8	Confident	32 Å²	32	66 Å²	66	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-56.3	-49	173.2	175.7	0	0	0	0	111.4	A894 K900 I901 Q902 L919	A894-S898 WeakPolarHBondContact O-CB 3.39Å; A894-S898 PolarHBondContact O-N 2.91Å; S898-K900 PolarHBondContact O-N 3.36Å; S898-I901 PolarHBondContact O-N 3.11Å; S898-Q902 WeakPolarHBondContact O-CB 3.34Å; S898-Q902 PolarHBondContact O-N 3.2Å; S898-L919 WeakPolarHBondContact OG-CD2 3.35Å
899	K	90.4	Very high	85.9	Confident	94 Å²	94	70.8 Å²	70.8	41%	0.409	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-43.1	175.4	-173.1	171.3	-178.8	175.4	0	112.3	D895 V896 V897 M903 E996	D895-K899 VanDerWaalsContact O-CB 3.26Å; D895-K899 WeakPolarHBondContact O-CB 3.48Å; D895-K899 PolarHBondContact O-N 3.09Å; V896-K899 PolarHBondContact O-N 3.35Å; V897-K899 PolarHBondContact O-N 2.77Å; K899-M903 VanDerWaalsContact O-CB 3.28Å; K899-M903 WeakPolarHBondContact O-CB 3.42Å; K899-M903 WeakPolarHBondContact O-CG 3.48Å; K899-M903 PolarHBondContact O-N 3.11Å; K899-E996 WeakPolarHBondContact CE-OE2 3.49Å; K899-E996 IonicContact NZ-OE1 2.76Å; K899-E996 PolarHBondContact NZ-OE1 3.34Å; K899-E996 IonicContact NZ-OE2 3.84Å; K899-E996 PolarHBondContact NZ-OE2 2.88Å
900	K	86.3	Confident	85.5	Confident	90 Å²	90	68 Å²	68	39%	0.391	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-48.2	173.5	-86.2	-171.5	168.9	-168.1	0	111.7	V896 V897 S898 M903 K904 E997	V896-K900 PolarHBondContact O-N 2.89Å; V897-K900 WeakPolarHBondContact O-CB 3.35Å; V897-K900 PolarHBondContact O-N 3.04Å; S898-K900 PolarHBondContact O-N 3.36Å; K900-M903 CarbonylContact O-C 3.51Å; K900-M903 PolarHBondContact O-N 3.35Å; K900-K904 VanDerWaalsContact O-CG 3.24Å; K900-K904 WeakPolarHBondContact O-CG 3.24Å; K900-K904 PolarHBondContact O-N 3.5Å; K900-E997 VanDerWaalsContact CE-OE2 3.31Å; K900-E997 WeakPolarHBondContact CE-OE2 3.4Å; K900-E997 IonicContact NZ-OE2 2.71Å
901	I	88.1	Confident	84.8	Confident	30 Å²	30	64.3 Å²	64.3	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-47.8	-178.5	-69.7	170.6	0	0	0	110.5	V897 S898 M903 K904 L905 L919 L922 F956 M958	V897-I901 HydrophobicContact CG1-CD1 3.71Å; V897-I901 HydrophobicContact CG1-CG1 4.34Å; V897-I901 WeakPolarHBondContact O-CG1 3.49Å; V897-I901 PolarHBondContact O-N 3.04Å; S898-I901 PolarHBondContact O-N 3.11Å; I901-M903 PolarHBondContact O-N 2.71Å; I901-K904 CarbonylContact O-C 3.4Å; I901-K904 WeakPolarHBondContact O-CA 3.46Å; I901-K904 PolarHBondContact O-N 2.9Å; I901-L905 HydrophobicContact CG2-CD1 3.72Å; I901-L905 HydrophobicContact CG2-CG 4.01Å; I901-L905 WeakPolarHBondContact O-CG 3.49Å; I901-L905 PolarHBondContact O-N 2.76Å; I901-L919 HydrophobicContact CB-CD2 4Å; I901-L919 HydrophobicContact CG2-CD2 3.91Å; I901-L922 HydrophobicContact CD1-CD1 4.3Å; I901-F956 HydrophobicContact CD1-CE1 4.02Å; I901-F956 HydrophobicContact CD1-CZ 3.73Å; I901-M958 HydrophobicContact CD1-CE 4.33Å; I901-M958 HydrophobicContact CG2-CE 4.32Å; I901-M958 HydrophobicContact CG2-SD 4.14Å
902	Q	88.6	Confident	83.8	Confident	48 Å²	48	61.1 Å²	61.1	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-59.9	-36.4	175.8	-173.9	56.2	25.5	0	0	112.1	S898 K904 S906 L917 L919	S898-Q902 WeakPolarHBondContact O-CB 3.34Å; S898-Q902 PolarHBondContact O-N 3.2Å; Q902-K904 VanDerWaalsContact C-N 3.28Å; Q902-K904 PolarHBondContact O-N 2.65Å; Q902-S906 WeakPolarHBondContact O-CB 3.49Å; Q902-S906 PolarHBondContact O-N 2.96Å; Q902-S906 PolarHBondContact O-OG 2.87Å; Q902-L917 PolarHBondContact NE2-O 2.86Å; Q902-L917 PolarHBondContact OE1-O 2.85Å; Q902-L919 HydrophobicContact CB-CB 4.47Å
903	M	81.3	Confident	82.7	Confident	68 Å²	68	55.5 Å²	55.5	34%	0.335	27%	0.272	S	S	.	.	H	α-helix	trans	-71.6	-14.8	173.2	-71.3	-68	168.5	0	0	114	K899 K900 I901 K907	K899-M903 VanDerWaalsContact O-CB 3.28Å; K899-M903 WeakPolarHBondContact O-CB 3.42Å; K899-M903 WeakPolarHBondContact O-CG 3.48Å; K899-M903 PolarHBondContact O-N 3.11Å; K900-M903 CarbonylContact O-C 3.51Å; K900-M903 PolarHBondContact O-N 3.35Å; I901-M903 PolarHBondContact O-N 2.71Å; M903-K907 WeakPolarHBondContact O-CD 3.41Å; M903-K907 WeakPolarHBondContact O-CE 3.39Å; M903-K907 PolarHBondContact O-NZ 3.27Å
904	K	81.6	Confident	82	Confident	65 Å²	65	51.2 Å²	51.2	28%	0.283	26%	0.256	S	S	.	.	H	α-helix	trans	-93.4	-45.3	171.9	-58.9	-94.3	-179.7	167.6	0	110	K900 I901 Q902 S906 K907 E997 I1136	K900-K904 VanDerWaalsContact O-CG 3.24Å; K900-K904 WeakPolarHBondContact O-CG 3.24Å; K900-K904 PolarHBondContact O-N 3.5Å; I901-K904 CarbonylContact O-C 3.4Å; I901-K904 WeakPolarHBondContact O-CA 3.46Å; I901-K904 PolarHBondContact O-N 2.9Å; Q902-K904 VanDerWaalsContact C-N 3.28Å; Q902-K904 PolarHBondContact O-N 2.65Å; K904-S906 PolarHBondContact O-N 2.87Å; K904-K907 PolarHBondContact O-N 3.04Å; K904-K907 VanDerWaalsContact O-N 3.07Å; K904-E997 IonicContact NZ-OE1 2.88Å; K904-I1136 HydrophobicContact CD-CD1 4.19Å
905	L	83.4	Confident	81.6	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-54.1	-45.8	175.4	-69.8	172.6	0	0	0	112.8	I901 K907 I908 L917 L919 L960 L1129	I901-L905 HydrophobicContact CG2-CD1 3.72Å; I901-L905 HydrophobicContact CG2-CG 4.01Å; I901-L905 WeakPolarHBondContact O-CG 3.49Å; I901-L905 PolarHBondContact O-N 2.76Å; L905-K907 PolarHBondContact O-N 3Å; L905-I908 HydrophobicContact CD2-CD1 4.04Å; L905-I908 WeakPolarHBondContact O-CB 3.32Å; L905-I908 WeakPolarHBondContact O-CG1 3.43Å; L905-I908 PolarHBondContact O-N 2.73Å; L905-L917 HydrophobicContact CB-CB 4.48Å; L905-L917 HydrophobicContact CD2-CD1 4.36Å; L905-L919 HydrophobicContact CD1-CB 4.33Å; L905-L960 HydrophobicContact CD1-CD1 4.48Å; L905-L960 HydrophobicContact CD1-CD2 3.5Å; L905-L960 VanDerWaalsContact CD1-CD2 3.5Å; L905-L960 HydrophobicContact CD2-CD1 4.12Å; L905-L1129 HydrophobicContact CD2-CD2 3.84Å
906	S	80.6	Confident	81.3	Confident	74 Å²	74	54.7 Å²	54.7	52%	0.517	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-2.5	178.9	53.1	0	0	0	0	115.3	Q902 K904	Q902-S906 WeakPolarHBondContact O-CB 3.49Å; Q902-S906 PolarHBondContact O-N 2.96Å; Q902-S906 PolarHBondContact O-OG 2.87Å; K904-S906 PolarHBondContact O-N 2.87Å
907	K	73.2	Confident	81.1	Confident	58 Å²	58	52.6 Å²	52.6	25%	0.252	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-6.5	174.8	-62.3	164.4	-170.5	150.2	0	112.7	M903 K904 L905 S999	M903-K907 WeakPolarHBondContact O-CD 3.41Å; M903-K907 WeakPolarHBondContact O-CE 3.39Å; M903-K907 PolarHBondContact O-NZ 3.27Å; K904-K907 PolarHBondContact O-N 3.04Å; K904-K907 VanDerWaalsContact O-N 3.07Å; L905-K907 PolarHBondContact O-N 3Å; K907-S999 WeakPolarHBondContact CE-O 3.29Å; K907-S999 PolarHBondContact NZ-O 3.5Å; K907-S999 PolarHBondContact NZ-OG 2.71Å
908	I	78.3	Confident	81	Confident	17 Å²	17	53.2 Å²	53.2	9%	0.087	26%	0.259	C	S	.	.	S	Bend	trans	-73.1	130.2	177	-57.5	-174.1	0	0	0	109.1	L905 L910 W1124 K1128 L1129 E1132	L905-I908 HydrophobicContact CD2-CD1 4.04Å; L905-I908 WeakPolarHBondContact O-CB 3.32Å; L905-I908 WeakPolarHBondContact O-CG1 3.43Å; L905-I908 PolarHBondContact O-N 2.73Å; I908-L910 PolarHBondContact O-N 3.21Å; I908-W1124 HydrophobicContact CG2-CH2 4.25Å; I908-K1128 HydrophobicContact CG2-CD 4.16Å; I908-K1128 HydrophobicContact CG2-CG 3.46Å; I908-K1128 VanDerWaalsContact CG2-CG 3.46Å; I908-L1129 HydrophobicContact CD1-CD2 3.84Å; I908-E1132 HydrophobicContact CD1-CG 4.42Å; I908-E1132 HydrophobicContact CG1-CG 4.24Å
909	R	69.1	Low	81	Confident	124 Å²	124	52.8 Å²	52.8	47%	0.468	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-67.8	119.1	169.9	-74.7	-174.8	173.5	-163	-2.5	109.3	S1003 D1005 W1124	R909-S1003 VanDerWaalsContact CZ-O 3.25Å; R909-S1003 PolarHBondContact NE-O 3.19Å; R909-S1003 PolarHBondContact NH2-O 2.98Å; R909-D1005 VanDerWaalsContact CZ-CB 3.45Å; R909-D1005 IonicContact NH1-OD2 2.76Å; R909-D1005 VanDerWaalsContact NH2-N 3.13Å; R909-W1124 WeakPolarHBondContact O-CZ2 3.43Å
910	L	78.5	Confident	81	Confident	57 Å²	57	51.5 Å²	51.5	30%	0.298	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-93.2	149.9	-178.7	-71.9	151.6	0	0	0	111.3	I908 M914 L917 W1124	I908-L910 PolarHBondContact O-N 3.21Å; L910-M914 HydrophobicContact CD2-CB 4.44Å; L910-M914 HydrophobicContact CD2-CE 4.19Å; L910-L917 HydrophobicContact CD2-CD1 3.74Å; L910-L917 HydrophobicContact CD2-CG 3.81Å; L910-W1124 HydrophobicContact CD2-CH2 4.12Å; L910-W1124 HydrophobicContact CD2-CZ3 4.19Å
911	P	74.4	Confident	81.3	Confident	23 Å²	23	52.1 Å²	52.1	15%	0.149	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-62	150.6	172.2	-20.1	34	0	0	0	110.4	V913 M914 M1035 W1124	P911-V913 PolarHBondContact O-N 3.18Å; P911-M914 HydrophobicContact CB-SD 4.5Å; P911-M914 HydrophobicContact CG-CG 4.47Å; P911-M914 HydrophobicContact CG-SD 3.78Å; P911-M914 PolarHBondContact O-N 2.82Å; P911-M1035 HydrophobicContact CB-CE 3.72Å; P911-W1124 HydrophobicContact CG-CD2 3.74Å; P911-W1124 HydrophobicContact CG-CE3 4.02Å; P911-W1124 HydrophobicContact CG-CG 4.37Å; P911-W1124 HydrophobicContact CG-CH2 4.13Å; P911-W1124 HydrophobicContact CG-CZ2 3.78Å; P911-W1124 HydrophobicContact CG-CZ3 4.22Å
912	Y	68.4	Low	81.5	Confident	80 Å²	80	52.5 Å²	52.5	31%	0.314	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.9	179.8	69.5	-109.1	0	0	0	113.7	M914 R968 L969 M1035 D1039	Y912-M914 VanDerWaalsContact C-N 3.28Å; Y912-R968 HydrophobicContact CD2-CB 4.31Å; Y912-R968 WeakPolarHBondContact O-CD 3.26Å; Y912-R968 PolarHBondContact O-NH1 3.02Å; Y912-L969 HydrophobicContact CE2-CD1 4.06Å; Y912-L969 WeakPolarHBondContact OH-CD1 3.45Å; Y912-M1035 HydrophobicContact CD1-CE 3.31Å; Y912-M1035 HydrophobicContact CD1-SD 4.47Å; Y912-M1035 HydrophobicContact CE1-CE 3.33Å; Y912-M1035 HydrophobicContact CE1-CG 4.48Å; Y912-M1035 HydrophobicContact CE1-SD 3.92Å; Y912-M1035 HydrophobicContact CG-CE 4.11Å; Y912-D1039 WeakPolarHBondContact CE1-OD1 3.13Å; Y912-D1039 PolarHBondContact OH-OD1 3.27Å
913	V	69.2	Low	81.6	Confident	21 Å²	21	54 Å²	54	13%	0.127	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.2	177.1	-167.8	0	0	0	0	112.1	P911 L964 N965 L966 M1035	P911-V913 PolarHBondContact O-N 3.18Å; V913-L964 HydrophobicContact CG1-CD2 4.5Å; V913-L964 CarbonylContact O-C 3.53Å; V913-L964 VanDerWaalsContact O-CA 3.23Å; V913-L964 WeakPolarHBondContact O-CA 3.24Å; V913-N965 PolarHBondContact O-N 3.17Å; V913-L966 HydrophobicContact CG1-CD2 4.12Å; V913-M1035 HydrophobicContact CG2-SD 4.44Å
914	M	77.3	Confident	82	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.049	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-112	141.3	-176.9	-64.3	170.3	68.7	0	0	111.1	L910 P911 Y912 L917 T962 L964 V1121 W1124 I1125	L910-M914 HydrophobicContact CD2-CB 4.44Å; L910-M914 HydrophobicContact CD2-CE 4.19Å; P911-M914 HydrophobicContact CB-SD 4.5Å; P911-M914 HydrophobicContact CG-CG 4.47Å; P911-M914 HydrophobicContact CG-SD 3.78Å; P911-M914 PolarHBondContact O-N 2.82Å; Y912-M914 VanDerWaalsContact C-N 3.28Å; M914-L917 HydrophobicContact CE-CD2 4.4Å; M914-T962 HydrophobicContact CE-CG2 4.08Å; M914-L964 HydrophobicContact CG-CD2 3.84Å; M914-V1121 HydrophobicContact CE-CG1 4.05Å; M914-V1121 HydrophobicContact SD-CG1 4.02Å; M914-W1124 HydrophobicContact CE-CE3 4.28Å; M914-W1124 HydrophobicContact CE-CZ3 4.07Å; M914-W1124 HydrophobicContact SD-CE3 3.91Å; M914-W1124 HydrophobicContact SD-CZ3 4.04Å; M914-I1125 HydrophobicContact CE-CD1 4.12Å; M914-I1125 HydrophobicContact CE-CG1 4.36Å
915	N	82.6	Confident	82.3	Confident	50 Å²	50	48.1 Å²	48.1	27%	0.267	24%	0.243	S	C	.	.			trans	-85.2	-169	162	-59	-52.1	0	0	0	109.4	T962 K963	N915-T962 PolarHBondContact O-OG1 3.42Å; N915-K963 HydrophobicContact CB-CB 4.25Å; N915-K963 WeakPolarHBondContact CB-O 3.47Å; N915-K963 PolarHBondContact N-O 2.87Å; N915-K963 WeakPolarHBondContact ND2-CB 3.33Å; N915-K963 PolarHBondContact ND2-O 2.71Å
916	E	84.5	Confident	82.4	Confident	129 Å²	129	51.1 Å²	51.1	60%	0.603	26%	0.256	S	S	*	.			trans	-54.1	154.6	-177.9	59.6	-171	171.7	0	0	114.7	T918 T962	E916-T918 HydrophobicContact CG-CG2 4.18Å; E916-T962 WeakPolarHBondContact O-CA 3.17Å; E916-T962 PolarHBondContact O-OG1 2.71Å; E916-T962 VanDerWaalsContact O-OG1 3.11Å
917	L	85.5	Confident	82.8	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	24%	0.239	C	C	.	.			trans	-96.2	124.5	167.4	-76.8	166.2	0	0	0	108.5	Q902 L905 L910 M914 L960 E961 I1125	Q902-L917 PolarHBondContact NE2-O 2.86Å; Q902-L917 PolarHBondContact OE1-O 2.85Å; L905-L917 HydrophobicContact CB-CB 4.48Å; L905-L917 HydrophobicContact CD2-CD1 4.36Å; L910-L917 HydrophobicContact CD2-CD1 3.74Å; L910-L917 HydrophobicContact CD2-CG 3.81Å; M914-L917 HydrophobicContact CE-CD2 4.4Å; L917-L960 HydrophobicContact CD2-CB 3.99Å; L917-L960 HydrophobicContact CD2-CD1 4.14Å; L917-E961 WeakPolarHBondContact CA-O 3.49Å; L917-I1125 HydrophobicContact CD2-CD1 4.33Å
918	T	88.7	Confident	83.6	Confident	38 Å²	38	46.3 Å²	46.3	23%	0.233	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.1	179.3	45.8	0	0	0	0	110.7	E916 T920 E961	E916-T918 HydrophobicContact CG-CG2 4.18Å; T918-T920 PolarHBondContact O-N 3.32Å; T918-E961 PolarHBondContact N-O 2.58Å; T918-E961 PolarHBondContact O-N 3.07Å; T918-E961 WeakPolarHBondContact OG1-CB 3.12Å; T918-E961 PolarHBondContact OG1-O 3.01Å
919	L	92	Very high	84.3	Confident	23 Å²	23	47.2 Å²	47.2	12%	0.12	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	115.2	173.5	-179.2	60.3	0	0	0	110.2	S898 I901 Q902 L905 E921 M958 T959 L960	S898-L919 WeakPolarHBondContact OG-CD2 3.35Å; I901-L919 HydrophobicContact CB-CD2 4Å; I901-L919 HydrophobicContact CG2-CD2 3.91Å; Q902-L919 HydrophobicContact CB-CB 4.47Å; L905-L919 HydrophobicContact CD1-CB 4.33Å; L919-E921 WeakPolarHBondContact CD1-O 3.45Å; L919-M958 HydrophobicContact CD1-CB 3.72Å; L919-T959 WeakPolarHBondContact CA-O 3.45Å; L919-L960 HydrophobicContact CB-CD2 4.38Å; L919-L960 HydrophobicContact CD1-CD2 3.97Å
920	T	90.6	Very high	85.4	Confident	66 Å²	66	45 Å²	45	41%	0.405	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-38	-178.2	50.9	0	0	0	0	113	T918 T959 E961	T918-T920 PolarHBondContact O-N 3.32Å; T920-T959 PolarHBondContact N-O 2.84Å; T920-T959 WeakPolarHBondContact OG1-CG2 3.37Å; T920-T959 PolarHBondContact OG1-O 2.9Å; T920-E961 HydrophobicContact CG2-CB 3.64Å
921	E	90.8	Very high	86.1	Confident	103 Å²	103	43 Å²	43	48%	0.481	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.9	178.2	-61.4	163.3	-127.9	0	0	109.5	L919 T959 K1110	L919-E921 WeakPolarHBondContact CD1-O 3.45Å; E921-T959 PolarHBondContact O-N 2.73Å; E921-K1110 IonicContact OE1-NZ 3.98Å; E921-K1110 PolarHBondContact OE1-NZ 3.42Å; E921-K1110 IonicContact OE2-NZ 3.33Å; E921-K1110 PolarHBondContact OE2-NZ 3.44Å
922	L	92.9	Very high	86.9	Confident	38 Å²	38	45 Å²	45	20%	0.199	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.8	173.3	178	66.9	0	0	0	109.3	V897 I901 M924 F956 M958	V897-L922 HydrophobicContact CB-CD2 4.1Å; V897-L922 HydrophobicContact CG1-CD2 3.82Å; I901-L922 HydrophobicContact CD1-CD1 4.3Å; L922-M924 HydrophobicContact CD2-CG 4.23Å; L922-M924 HydrophobicContact CG-CG 4.29Å; L922-F956 HydrophobicContact CD1-CE1 3.83Å; L922-F956 HydrophobicContact CD1-CE2 4.36Å; L922-F956 HydrophobicContact CD1-CZ 3.64Å; L922-M958 HydrophobicContact CD1-CB 4.09Å
923	D	91.3	Very high	88	Confident	79 Å²	79	49.2 Å²	49.2	42%	0.422	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.6	164.3	-174	-4.7	0	0	0	108.1	G925 L957	D923-G925 VanDerWaalsContact C-N 3.31Å; D923-G925 PolarHBondContact OD1-N 3.26Å; D923-L957 HydrophobicContact CB-CB 4.35Å; D923-L957 PolarHBondContact N-O 2.62Å; D923-L957 PolarHBondContact O-N 2.76Å
924	M	89	Confident	89.1	Confident	9 Å²	9	50.8 Å²	50.8	4%	0.044	26%	0.259	C	S	.	.			trans	-85	-9.3	179.6	-60.5	-174.3	-67.1	0	0	112.4	F887 L888 A894 V897 L922 F956	F887-M924 HydrophobicContact CE1-SD 4.35Å; F887-M924 VanDerWaalsContact O-CE 3.28Å; F887-M924 WeakPolarHBondContact O-CE 3.07Å; L888-M924 HydrophobicContact CD2-CB 3.73Å; A894-M924 HydrophobicContact CB-CE 3.68Å; A894-M924 HydrophobicContact CB-SD 4.35Å; V897-M924 HydrophobicContact CB-SD 4.23Å; V897-M924 HydrophobicContact CG2-SD 4.13Å; L922-M924 HydrophobicContact CD2-CG 4.23Å; L922-M924 HydrophobicContact CG-CG 4.29Å; M924-F956 HydrophobicContact CB-CD2 4.27Å; M924-F956 HydrophobicContact CB-CE2 4.21Å; M924-F956 HydrophobicContact CG-CE2 4.03Å
925	G	87.9	Confident	89.8	Confident	2 Å²	2	52.8 Å²	52.8	2%	0.021	27%	0.274	C	S	.	.			trans	73	-168.5	-177.1	0	0	0	0	0	113.8	D923	D923-G925 VanDerWaalsContact C-N 3.31Å; D923-G925 PolarHBondContact OD1-N 3.26Å
926	F	85.5	Confident	90.2	Very high	67 Å²	67	59.6 Å²	59.6	29%	0.294	30%	0.301	S	S	.	.	S	Bend	trans	-119.7	3.7	-178.8	-55.8	-83.2	0	0	0	113
927	S	88.4	Confident	90.6	Very high	21 Å²	21	57.9 Å²	57.9	15%	0.147	30%	0.302	C	S	.	.			trans	-90	143.9	-178.9	38.5	0	0	0	0	111.4	Y952 T953 G954 S955	S927-Y952 PolarHBondContact OG-OH 3.36Å; S927-T953 VanDerWaalsContact CB-O 3.29Å; S927-T953 WeakPolarHBondContact CB-O 3.35Å; S927-G954 WeakPolarHBondContact OG-CA 3.28Å; S927-S955 PolarHBondContact OG-N 2.99Å
928	V	91.2	Very high	90.9	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.055	32%	0.322	C	S	.	.			trans	-118.9	140.1	179.6	-177.3	0	0	0	0	108.6	Y828 Y832 L880 F884 L888 K930	Y828-V928 WeakPolarHBondContact OH-CG2 3.48Å; Y832-V928 HydrophobicContact CE1-CB 4.14Å; Y832-V928 WeakPolarHBondContact OH-CG2 3.33Å; L880-V928 HydrophobicContact CB-CG1 3.96Å; F884-V928 HydrophobicContact CB-CB 4.35Å; F884-V928 HydrophobicContact CB-CG1 3.96Å; F884-V928 HydrophobicContact CB-CG2 3.46Å; F884-V928 VanDerWaalsContact CB-CG2 3.46Å; F884-V928 HydrophobicContact CD1-CG1 4.08Å; F884-V928 HydrophobicContact CD1-CG2 4.21Å; F884-V928 HydrophobicContact CD2-CG1 3.9Å; F884-V928 HydrophobicContact CE2-CG1 4.41Å; F884-V928 HydrophobicContact CG-CB 4.39Å; F884-V928 HydrophobicContact CG-CG1 3.71Å; F884-V928 HydrophobicContact CG-CG2 3.98Å; L888-V928 HydrophobicContact CD1-CG2 4.18Å; V928-K930 PolarHBondContact O-N 3.4Å
929	P	91.9	Very high	91	Very high	37 Å²	37	62.4 Å²	62.4	24%	0.24	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-59.1	122.5	171.6	-19.7	31.1	0	0	0	110	F884 V950 Y952	F884-P929 HydrophobicContact CE1-CG 4.44Å; F884-P929 HydrophobicContact CZ-CG 4.41Å; P929-V950 HydrophobicContact CB-CG1 3.92Å; P929-Y952 HydrophobicContact CB-CD2 4.35Å; P929-Y952 HydrophobicContact CG-CD2 3.82Å
930	K	91.8	Very high	90.8	Very high	78 Å²	78	63.7 Å²	63.7	34%	0.339	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.5	171.4	-70.6	-170	169.8	-160	0	109.6	N877 V928 L932 V950 S951	N877-K930 WeakPolarHBondContact OD1-CA 3.23Å; V928-K930 PolarHBondContact O-N 3.4Å; K930-L932 HydrophobicContact CB-CD2 4.32Å; K930-V950 WeakPolarHBondContact O-CA 3.48Å; K930-S951 PolarHBondContact N-O 2.74Å; K930-S951 PolarHBondContact O-N 2.98Å
931	I	93.8	Very high	90.5	Very high	14 Å²	14	62.8 Å²	62.8	7%	0.072	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118	159.4	-63.1	163.7	0	0	0	106	E873 V876 N877 L880 L948 E949 V950	E873-I931 HydrophobicContact CB-CG2 4.26Å; E873-I931 HydrophobicContact CG-CG2 4.01Å; V876-I931 HydrophobicContact CB-CD1 4.29Å; V876-I931 HydrophobicContact CG1-CD1 3.59Å; N877-I931 PolarHBondContact ND2-O 3.36Å; N877-I931 PolarHBondContact OD1-N 2.86Å; N877-I931 PolarHBondContact OD1-O 3.26Å; L880-I931 HydrophobicContact CD1-CD1 3.79Å; L880-I931 HydrophobicContact CD1-CG1 4.18Å; I931-L948 HydrophobicContact CD1-CD1 3.97Å; I931-L948 HydrophobicContact CG1-CD1 4.46Å; I931-L948 HydrophobicContact CG2-CB 4.33Å; I931-L948 HydrophobicContact CG2-CD2 4.2Å; I931-E949 CarbonylContact C-O 3.59Å; I931-E949 WeakPolarHBondContact CA-O 3.46Å; I931-V950 HydrophobicContact CG1-CG2 4.46Å
932	L	91.6	Very high	90.2	Very high	66 Å²	66	59.9 Å²	59.9	35%	0.346	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-36.5	177.8	-58.9	-177.1	0	0	0	111.4	K930 E949	K930-L932 HydrophobicContact CB-CD2 4.32Å; L932-E949 HydrophobicContact CB-CB 4.38Å; L932-E949 HydrophobicContact CB-CG 4.31Å; L932-E949 HydrophobicContact CD1-CG 4.31Å; L932-E949 PolarHBondContact N-O 2.84Å
933	R	91.1	Very high	90	Very high	168 Å²	168	58.3 Å²	58.3	63%	0.634	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.9	143.3	-176.6	-55.5	-173.1	71.6	172.3	2.7	110.9	E873 E949	E873-R933 WeakPolarHBondContact OE1-CA 3Å; R933-E949 HydrophobicContact CB-CB 4.09Å; R933-E949 WeakPolarHBondContact CD-OE2 3.07Å; R933-E949 PolarHBondContact O-N 3.48Å
934	A	92.9	Very high	90.1	Very high	53 Å²	53	57.5 Å²	57.5	44%	0.438	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.8	164	0	0	0	0	0	110.8	E873 L948	E873-A934 HydrophobicContact CG-CB 4.21Å; E873-A934 PolarHBondContact OE1-N 2.76Å; A934-L948 HydrophobicContact CB-CD2 3.95Å
935	S	92.4	Very high	90.3	Very high	52 Å²	52	57.8 Å²	57.8	36%	0.364	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-80.9	164.8	170.8	61.3	0	0	0	0	111.8	D947	S935-D947 PolarHBondContact N-O 2.86Å; S935-D947 WeakPolarHBondContact OG-CA 3.35Å; S935-D947 WeakPolarHBondContact OG-CB 3.47Å; S935-D947 PolarHBondContact OG-N 2.81Å; S935-D947 PolarHBondContact OG-O 3.49Å
936	K	90.8	Very high	90.7	Very high	194 Å²	194	60.5 Å²	60.5	84%	0.843	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-67	131.9	172.7	-67	-178.6	179.6	178.8	0	109.4
937	P	92.8	Very high	91.1	Very high	93 Å²	93	58.8 Å²	58.8	60%	0.604	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-64.8	140.8	175.8	26.5	-33.5	0	0	0	111	L944 W945 F946	P937-L944 HydrophobicContact CB-CD1 3.87Å; P937-W945 WeakPolarHBondContact CA-O 3.06Å; P937-F946 HydrophobicContact CB-CB 4.48Å
938	S	90.9	Very high	91.4	Very high	67 Å²	67	59.1 Å²	59.1	47%	0.469	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.1	173.6	58.8	0	0	0	0	110.3	W945	S938-W945 PolarHBondContact N-O 2.84Å; S938-W945 PolarHBondContact O-N 3.29Å
939	V	90.6	Very high	91.6	Very high	71 Å²	71	60.8 Å²	60.8	43%	0.43	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.2	177.4	-177.9	0	0	0	0	108.3	L567 V569 G943 L944	L567-V939 HydrophobicContact CD1-CB 4.2Å; L567-V939 HydrophobicContact CD1-CG1 4.48Å; L567-V939 HydrophobicContact CD1-CG2 4.15Å; V569-V939 HydrophobicContact CG2-CG1 4.11Å; V939-G943 WeakPolarHBondContact CA-O 3.23Å; V939-L944 HydrophobicContact CG2-CD1 3.93Å
940	D	87.7	Confident	91.7	Very high	50 Å²	50	60 Å²	60	27%	0.267	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-176.8	175.4	76.2	-4.3	0	0	0	111	Q942 G943 W945	D940-Q942 PolarHBondContact O-N 2.9Å; D940-Q942 WeakPolarHBondContact OD1-CA 3.42Å; D940-Q942 VanDerWaalsContact OD1-CB 3.28Å; D940-Q942 WeakPolarHBondContact OD1-CB 3.5Å; D940-Q942 PolarHBondContact OD1-N 3.26Å; D940-G943 PolarHBondContact N-O 3.09Å; D940-G943 PolarHBondContact O-N 2.79Å; D940-G943 PolarHBondContact OD1-N 2.78Å; D940-W945 VanDerWaalsContact CG-NE1 3.27Å; D940-W945 PolarHBondContact OD1-NE1 3.39Å; D940-W945 PolarHBondContact OD2-NE1 3.49Å
941	H	84.4	Confident	91.9	Very high	47 Å²	47	57.1 Å²	57.1	22%	0.218	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-0.8	177.1	63.7	-95.7	0	0	0	113.7	V569 E571 P572 R742	V569-H941 HydrophobicContact CG1-CB 4.18Å; V569-H941 VanDerWaalsContact CG1-N 3.35Å; E571-H941 HydrophobicContact CG-CB 4.31Å; P572-H941 VanDerWaalsContact CD-CG 3.46Å; R742-H941 PolarHBondContact NH2-O 2.92Å
942	Q	84.9	Confident	91.9	Very high	43 Å²	43	57.7 Å²	57.7	20%	0.201	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	9.7	173.5	-39.1	-176.2	7.2	0	0	111.9	R734 D940 N1084 P1086	R734-Q942 VanDerWaalsContact NH2-CB 3.28Å; D940-Q942 PolarHBondContact O-N 2.9Å; D940-Q942 WeakPolarHBondContact OD1-CA 3.42Å; D940-Q942 VanDerWaalsContact OD1-CB 3.28Å; D940-Q942 WeakPolarHBondContact OD1-CB 3.5Å; D940-Q942 PolarHBondContact OD1-N 3.26Å; Q942-N1084 PolarHBondContact O-ND2 3.45Å; Q942-P1086 WeakPolarHBondContact O-CA 3.2Å
943	G	89.4	Confident	91.8	Very high	5 Å²	5	59 Å²	59	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.9	-157.3	169.5	0	0	0	0	0	114.3	V939 D940 I1085	V939-G943 WeakPolarHBondContact CA-O 3.23Å; D940-G943 PolarHBondContact N-O 3.09Å; D940-G943 PolarHBondContact O-N 2.79Å; D940-G943 PolarHBondContact OD1-N 2.78Å; G943-I1085 CarbonylContact C-O 3.59Å; G943-I1085 WeakPolarHBondContact CA-O 3.43Å
944	L	92.6	Very high	91.4	Very high	61 Å²	61	52.2 Å²	52.2	32%	0.319	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.4	175	174.7	65.5	0	0	0	109.6	P937 V939 F946 N1084 I1085	P937-L944 HydrophobicContact CB-CD1 3.87Å; V939-L944 HydrophobicContact CG2-CD1 3.93Å; L944-F946 HydrophobicContact CG-CD1 4.38Å; L944-N1084 CarbonylContact O-C 3.53Å; L944-N1084 VanDerWaalsContact O-CA 3.3Å; L944-N1084 WeakPolarHBondContact O-CA 3.5Å; L944-N1084 PolarHBondContact O-ND2 2.82Å; L944-I1085 HydrophobicContact CB-CB 4.32Å; L944-I1085 HydrophobicContact CD2-CD1 4.25Å; L944-I1085 PolarHBondContact N-O 2.86Å; L944-I1085 PolarHBondContact O-N 2.85Å
945	W	94.6	Very high	90.8	Very high	16 Å²	16	52.1 Å²	52.1	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.6	174.3	-73	95.5	0	0	0	110.9	R734 P937 S938 D940 A1082 V1083 N1084 M1139 M1142	R734-W945 VanDerWaalsContact CZ-CZ2 3.47Å; P937-W945 WeakPolarHBondContact CA-O 3.06Å; S938-W945 PolarHBondContact N-O 2.84Å; S938-W945 PolarHBondContact O-N 3.29Å; D940-W945 VanDerWaalsContact CG-NE1 3.27Å; D940-W945 PolarHBondContact OD1-NE1 3.39Å; D940-W945 PolarHBondContact OD2-NE1 3.49Å; W945-A1082 HydrophobicContact CE3-CB 4.44Å; W945-A1082 HydrophobicContact CZ3-CB 4.17Å; W945-V1083 WeakPolarHBondContact CA-O 3.05Å; W945-N1084 HydrophobicContact CD2-CB 3.92Å; W945-N1084 HydrophobicContact CE3-CB 3.7Å; W945-N1084 HydrophobicContact CH2-CB 4.11Å; W945-N1084 HydrophobicContact CZ2-CB 4.32Å; W945-N1084 HydrophobicContact CZ3-CB 3.78Å; W945-M1139 HydrophobicContact CH2-CE 4.03Å; W945-M1139 HydrophobicContact CZ3-CE 4.31Å; W945-M1142 HydrophobicContact CH2-SD 4.49Å; W945-M1142 HydrophobicContact CZ3-CE 4.24Å
946	F	94.8	Very high	90.7	Very high	58 Å²	58	51.6 Å²	51.6	25%	0.254	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	144.1	162.5	54.8	-85.4	0	0	0	110.1	P937 L944 L948 V1083 I1085	P937-F946 HydrophobicContact CB-CB 4.48Å; L944-F946 HydrophobicContact CG-CD1 4.38Å; F946-L948 HydrophobicContact CD2-CD2 4.09Å; F946-L948 HydrophobicContact CD2-CG 4.19Å; F946-L948 HydrophobicContact CE2-CD1 4.29Å; F946-L948 HydrophobicContact CE2-CD2 4.38Å; F946-L948 HydrophobicContact CE2-CG 4.34Å; F946-V1083 HydrophobicContact CD2-CB 4.05Å; F946-V1083 HydrophobicContact CD2-CG2 4.33Å; F946-V1083 HydrophobicContact CE1-CB 4.17Å; F946-V1083 HydrophobicContact CE1-CG1 3.99Å; F946-V1083 HydrophobicContact CE2-CB 3.65Å; F946-V1083 HydrophobicContact CE2-CG1 3.95Å; F946-V1083 HydrophobicContact CE2-CG2 3.84Å; F946-V1083 HydrophobicContact CG-CB 4.47Å; F946-V1083 HydrophobicContact CZ-CB 3.73Å; F946-V1083 HydrophobicContact CZ-CG1 3.53Å; F946-V1083 HydrophobicContact CZ-CG2 4.3Å; F946-V1083 PolarHBondContact N-O 2.93Å; F946-V1083 PolarHBondContact O-N 2.95Å; F946-I1085 HydrophobicContact CE1-CD1 4.48Å
947	D	95.5	Very high	90.8	Very high	32 Å²	32	45.1 Å²	45.1	17%	0.171	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	143	174.4	-58	-20.3	0	0	0	111.3	S935 T1080 L1081 A1082 R1098	S935-D947 PolarHBondContact N-O 2.86Å; S935-D947 WeakPolarHBondContact OG-CA 3.35Å; S935-D947 WeakPolarHBondContact OG-CB 3.47Å; S935-D947 PolarHBondContact OG-N 2.81Å; S935-D947 PolarHBondContact OG-O 3.49Å; D947-T1080 HydrophobicContact CB-CG2 3.81Å; D947-L1081 CarbonylContact C-O 3.28Å; D947-L1081 WeakPolarHBondContact CA-O 3.33Å; D947-A1082 WeakPolarHBondContact OD1-CA 3.18Å; D947-A1082 WeakPolarHBondContact OD1-CB 3.46Å; D947-R1098 IonicContact OD1-CZ 2.87Å; D947-R1098 VanDerWaalsContact OD1-CZ 3.23Å; D947-R1098 IonicContact OD1-NE 3.68Å; D947-R1098 PolarHBondContact OD1-NE 3.05Å; D947-R1098 IonicContact OD1-NH2 3.77Å; D947-R1098 PolarHBondContact OD1-NH2 3Å; D947-R1098 IonicContact OD2-CZ 2.71Å; D947-R1098 IonicContact OD2-NE 2.85Å; D947-R1098 PolarHBondContact OD2-NE 2.9Å; D947-R1098 IonicContact OD2-NH2 3.92Å; D947-R1098 PolarHBondContact OD2-NH2 2.98Å
948	L	94.6	Very high	90.8	Very high	27 Å²	27	41.6 Å²	41.6	14%	0.141	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.9	173.8	-56.5	175.5	0	0	0	108.8	I931 A934 F946 V950 L1081 V1083	I931-L948 HydrophobicContact CD1-CD1 3.97Å; I931-L948 HydrophobicContact CG1-CD1 4.46Å; I931-L948 HydrophobicContact CG2-CB 4.33Å; I931-L948 HydrophobicContact CG2-CD2 4.2Å; A934-L948 HydrophobicContact CB-CD2 3.95Å; F946-L948 HydrophobicContact CD2-CD2 4.09Å; F946-L948 HydrophobicContact CD2-CG 4.19Å; F946-L948 HydrophobicContact CE2-CD1 4.29Å; F946-L948 HydrophobicContact CE2-CD2 4.38Å; F946-L948 HydrophobicContact CE2-CG 4.34Å; L948-V950 HydrophobicContact CB-CG2 4.1Å; L948-V950 PolarHBondContact O-N 2.7Å; L948-L1081 PolarHBondContact N-O 2.86Å; L948-L1081 PolarHBondContact O-N 3.22Å; L948-V1083 HydrophobicContact CD1-CG2 4.24Å
949	E	95.2	Very high	90.8	Very high	44 Å²	44	38.5 Å²	38.5	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	108.6	166.5	-172	179.5	174.1	0	0	108.2	I931 L932 R933 R1078	I931-E949 CarbonylContact C-O 3.59Å; I931-E949 WeakPolarHBondContact CA-O 3.46Å; L932-E949 HydrophobicContact CB-CB 4.38Å; L932-E949 HydrophobicContact CB-CG 4.31Å; L932-E949 HydrophobicContact CD1-CG 4.31Å; L932-E949 PolarHBondContact N-O 2.84Å; R933-E949 HydrophobicContact CB-CB 4.09Å; R933-E949 WeakPolarHBondContact CD-OE2 3.07Å; R933-E949 PolarHBondContact O-N 3.48Å; E949-R1078 IonicContact OE1-CZ 3.54Å; E949-R1078 IonicContact OE1-NE 2.66Å; E949-R1078 PolarHBondContact OE1-NE 2.73Å; E949-R1078 IonicContact OE1-NH2 3.62Å; E949-R1078 PolarHBondContact OE1-NH2 2.82Å
950	V	94.4	Very high	90.8	Very high	20 Å²	20	35.1 Å²	35.1	12%	0.121	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.4	-177.8	-178.8	0	0	0	0	109.6	P929 K930 I931 L948 R1078 G1079 L1081	P929-V950 HydrophobicContact CB-CG1 3.92Å; K930-V950 WeakPolarHBondContact O-CA 3.48Å; I931-V950 HydrophobicContact CG1-CG2 4.46Å; L948-V950 HydrophobicContact CB-CG2 4.1Å; L948-V950 PolarHBondContact O-N 2.7Å; V950-R1078 CarbonylContact O-C 3.56Å; V950-R1078 VanDerWaalsContact O-CA 3.28Å; V950-R1078 WeakPolarHBondContact O-CA 3.26Å; V950-G1079 PolarHBondContact N-O 2.92Å; V950-G1079 PolarHBondContact O-N 3.45Å; V950-L1081 HydrophobicContact CG2-CB 3.92Å; V950-L1081 HydrophobicContact CG2-CD2 4.07Å
951	S	94.3	Very high	90.8	Very high	18 Å²	18	34.7 Å²	34.7	13%	0.126	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.3	168.2	175.8	0	0	0	0	110.1	K930	K930-S951 PolarHBondContact N-O 2.74Å; K930-S951 PolarHBondContact O-N 2.98Å
952	Y	93.8	Very high	90.9	Very high	26 Å²	26	32.5 Å²	32.5	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.1	170.1	175	-92.2	0	0	0	108.4	S927 P929 F956 E1076 C1077	S927-Y952 PolarHBondContact OG-OH 3.36Å; P929-Y952 HydrophobicContact CB-CD2 4.35Å; P929-Y952 HydrophobicContact CG-CD2 3.82Å; Y952-F956 HydrophobicContact CE1-CB 4.49Å; Y952-F956 WeakPolarHBondContact OH-CB 3.34Å; Y952-F956 PolarHBondContact OH-N 3.04Å; Y952-E1076 CarbonylContact O-C 3.59Å; Y952-E1076 VanDerWaalsContact O-CA 3.26Å; Y952-E1076 WeakPolarHBondContact O-CA 3.41Å; Y952-C1077 PolarHBondContact N-O 3.45Å; Y952-C1077 PolarHBondContact O-N 2.93Å
953	T	90.8	Very high	90.8	Very high	94 Å²	94	34.4 Å²	34.4	58%	0.577	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.6	167.1	52.3	0	0	0	0	107.6	S927 E1076	S927-T953 VanDerWaalsContact CB-O 3.29Å; S927-T953 WeakPolarHBondContact CB-O 3.35Å; T953-E1076 HydrophobicContact CG2-CG 4.16Å
954	G	82.6	Confident	90.2	Very high	25 Å²	25	34.9 Å²	34.9	26%	0.258	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-173.2	-162.5	0	0	0	0	0	118.2	S927 Q1075	S927-G954 WeakPolarHBondContact OG-CA 3.28Å; G954-Q1075 PolarHBondContact N-O 3.27Å
955	S	79.6	Confident	89.2	Confident	51 Å²	51	33.7 Å²	33.7	36%	0.357	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	36.9	-174.7	73.1	0	0	0	0	111.9	S927 L957	S927-S955 PolarHBondContact OG-N 2.99Å; S955-L957 PolarHBondContact O-N 2.68Å
956	F	90.7	Very high	88	Confident	41 Å²	41	34.5 Å²	34.5	18%	0.18	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	117.2	175.1	-172.4	-80.7	0	0	0	108.7	V897 I901 L922 M924 Y952 M958 E1073 V1074	V897-F956 HydrophobicContact CG1-CE2 4.43Å; V897-F956 HydrophobicContact CG1-CZ 4.15Å; I901-F956 HydrophobicContact CD1-CE1 4.02Å; I901-F956 HydrophobicContact CD1-CZ 3.73Å; L922-F956 HydrophobicContact CD1-CE1 3.83Å; L922-F956 HydrophobicContact CD1-CE2 4.36Å; L922-F956 HydrophobicContact CD1-CZ 3.64Å; M924-F956 HydrophobicContact CB-CD2 4.27Å; M924-F956 HydrophobicContact CB-CE2 4.21Å; M924-F956 HydrophobicContact CG-CE2 4.03Å; Y952-F956 HydrophobicContact CE1-CB 4.49Å; Y952-F956 WeakPolarHBondContact OH-CB 3.34Å; Y952-F956 PolarHBondContact OH-N 3.04Å; F956-M958 HydrophobicContact CE1-CE 4.05Å; F956-E1073 WeakPolarHBondContact O-CA 3.12Å; F956-V1074 HydrophobicContact CB-CB 4.23Å; F956-V1074 HydrophobicContact CB-CG2 4.33Å; F956-V1074 HydrophobicContact CD1-CG2 3.9Å; F956-V1074 HydrophobicContact CG-CG2 4.49Å; F956-V1074 PolarHBondContact O-N 2.96Å
957	L	92.2	Very high	86.6	Confident	58 Å²	58	35 Å²	35	30%	0.304	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117	-167.7	-171.5	73.6	0	0	0	110.4	D923 S955 T1071 E1073	D923-L957 HydrophobicContact CB-CB 4.35Å; D923-L957 PolarHBondContact N-O 2.62Å; D923-L957 PolarHBondContact O-N 2.76Å; S955-L957 PolarHBondContact O-N 2.68Å; L957-T1071 HydrophobicContact CD1-CG2 4.24Å; L957-T1071 HydrophobicContact CD2-CG2 4.31Å; L957-T1071 HydrophobicContact CG-CG2 4.3Å; L957-E1073 HydrophobicContact CD1-CB 3.76Å; L957-E1073 HydrophobicContact CD1-CG 4.15Å
958	M	92.5	Very high	85.1	Confident	19 Å²	19	39.7 Å²	39.7	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.6	174.5	68	174.3	83	0	0	110.3	I901 L919 L922 F956 L960 T1071 V1072	I901-M958 HydrophobicContact CD1-CE 4.33Å; I901-M958 HydrophobicContact CG2-CE 4.32Å; I901-M958 HydrophobicContact CG2-SD 4.14Å; L919-M958 HydrophobicContact CD1-CB 3.72Å; L922-M958 HydrophobicContact CD1-CB 4.09Å; F956-M958 HydrophobicContact CE1-CE 4.05Å; M958-L960 HydrophobicContact CG-CD2 4.09Å; M958-L960 HydrophobicContact CG-CG 4.34Å; M958-L960 HydrophobicContact SD-CD1 4.27Å; M958-L960 HydrophobicContact SD-CD2 3.84Å; M958-L960 HydrophobicContact SD-CG 4.29Å; M958-T1071 CarbonylContact O-C 3.31Å; M958-T1071 WeakPolarHBondContact O-CA 3.37Å; M958-V1072 HydrophobicContact CG-CB 3.76Å; M958-V1072 HydrophobicContact CG-CG2 4.46Å; M958-V1072 PolarHBondContact N-O 2.86Å; M958-V1072 PolarHBondContact O-N 2.86Å; M958-V1072 HydrophobicContact SD-CB 4.37Å
959	T	91.6	Very high	83.3	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.2	171.6	-56.5	0	0	0	0	110	L919 T920 E921 L1069 T1071 K1110	L919-T959 WeakPolarHBondContact CA-O 3.45Å; T920-T959 PolarHBondContact N-O 2.84Å; T920-T959 WeakPolarHBondContact OG1-CG2 3.37Å; T920-T959 PolarHBondContact OG1-O 2.9Å; E921-T959 PolarHBondContact O-N 2.73Å; T959-L1069 HydrophobicContact CG2-CB 4.13Å; T959-L1069 HydrophobicContact CG2-CD2 4.23Å; T959-L1069 HydrophobicContact CG2-CG 4.32Å; T959-T1071 HydrophobicContact CG2-CG2 4.49Å; T959-T1071 WeakPolarHBondContact OG1-CG2 3.35Å; T959-K1110 HydrophobicContact CG2-CD 3.81Å; T959-K1110 PolarHBondContact OG1-NZ 2.89Å
960	L	90.1	Very high	81.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116	177.6	-50.7	-172.7	0	0	0	109.3	L905 L917 L919 M958 L1070 V1072 I1125	L905-L960 HydrophobicContact CD1-CD1 4.48Å; L905-L960 HydrophobicContact CD1-CD2 3.5Å; L905-L960 VanDerWaalsContact CD1-CD2 3.5Å; L905-L960 HydrophobicContact CD2-CD1 4.12Å; L917-L960 HydrophobicContact CD2-CB 3.99Å; L917-L960 HydrophobicContact CD2-CD1 4.14Å; L919-L960 HydrophobicContact CB-CD2 4.38Å; L919-L960 HydrophobicContact CD1-CD2 3.97Å; M958-L960 HydrophobicContact CG-CD2 4.09Å; M958-L960 HydrophobicContact CG-CG 4.34Å; M958-L960 HydrophobicContact SD-CD1 4.27Å; M958-L960 HydrophobicContact SD-CD2 3.84Å; M958-L960 HydrophobicContact SD-CG 4.29Å; L960-L1070 PolarHBondContact N-O 2.94Å; L960-L1070 PolarHBondContact O-N 2.85Å; L960-V1072 HydrophobicContact CD1-CG2 3.84Å; L960-V1072 HydrophobicContact CG-CG2 4.21Å; L960-I1125 HydrophobicContact CD1-CG2 4.44Å
961	E	88.3	Confident	79.3	Confident	41 Å²	41	45.5 Å²	45.5	19%	0.192	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.2	161.4	176.3	-176.7	159.9	0	0	109.5	L917 T918 T920 K963 P1067 L1068 L1069	L917-E961 WeakPolarHBondContact CA-O 3.49Å; T918-E961 PolarHBondContact N-O 2.58Å; T918-E961 PolarHBondContact O-N 3.07Å; T918-E961 WeakPolarHBondContact OG1-CB 3.12Å; T918-E961 PolarHBondContact OG1-O 3.01Å; T920-E961 HydrophobicContact CG2-CB 3.64Å; E961-K963 WeakPolarHBondContact OE1-CE 3.48Å; E961-K963 IonicContact OE1-NZ 3.24Å; E961-K963 PolarHBondContact OE1-NZ 3.37Å; E961-P1067 HydrophobicContact CG-CB 3.88Å; E961-P1067 WeakPolarHBondContact OE1-CB 3.3Å; E961-L1068 CarbonylContact C-O 3.57Å; E961-L1068 WeakPolarHBondContact CA-O 3.16Å; E961-L1069 HydrophobicContact CG-CD1 4.5Å
962	T	85.6	Confident	77	Confident	2 Å²	2	52 Å²	52	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	170.4	165.1	-168.8	0	0	0	0	110.1	M914 N915 E916 L1068 L1070	M914-T962 HydrophobicContact CE-CG2 4.08Å; N915-T962 PolarHBondContact O-OG1 3.42Å; E916-T962 WeakPolarHBondContact O-CA 3.17Å; E916-T962 PolarHBondContact O-OG1 2.71Å; E916-T962 VanDerWaalsContact O-OG1 3.11Å; T962-L1068 HydrophobicContact CG2-CB 4.13Å; T962-L1068 PolarHBondContact N-O 2.94Å; T962-L1068 PolarHBondContact O-N 2.94Å; T962-L1070 HydrophobicContact CG2-CD1 4.11Å
963	K	82.8	Confident	74.7	Confident	83 Å²	83	53.8 Å²	53.8	36%	0.361	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.6	179.4	-73.3	159.7	-174.8	136	0	109	N915 E961 P1067	N915-K963 HydrophobicContact CB-CB 4.25Å; N915-K963 WeakPolarHBondContact CB-O 3.47Å; N915-K963 PolarHBondContact N-O 2.87Å; N915-K963 WeakPolarHBondContact ND2-CB 3.33Å; N915-K963 PolarHBondContact ND2-O 2.71Å; E961-K963 WeakPolarHBondContact OE1-CE 3.48Å; E961-K963 IonicContact OE1-NZ 3.24Å; E961-K963 PolarHBondContact OE1-NZ 3.37Å; K963-P1067 HydrophobicContact CG-CB 4.36Å
964	L	77.4	Confident	72.1	Confident	15 Å²	15	58.7 Å²	58.7	8%	0.079	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-83.8	123.9	179.7	-60.6	-173.6	0	0	0	111	V913 M914 L966 S1064 L1068 L1118	V913-L964 HydrophobicContact CG1-CD2 4.5Å; V913-L964 CarbonylContact O-C 3.53Å; V913-L964 VanDerWaalsContact O-CA 3.23Å; V913-L964 WeakPolarHBondContact O-CA 3.24Å; M914-L964 HydrophobicContact CG-CD2 3.84Å; L964-L966 HydrophobicContact CB-CD2 4.23Å; L964-L966 HydrophobicContact CB-CG 4.22Å; L964-L966 HydrophobicContact CD1-CD2 4.44Å; L964-L966 PolarHBondContact O-N 2.94Å; L964-S1064 WeakPolarHBondContact O-CA 3.06Å; L964-S1064 WeakPolarHBondContact O-CB 3.47Å; L964-L1068 HydrophobicContact CD1-CD1 3.67Å; L964-L1068 HydrophobicContact CD2-CD1 3.98Å; L964-L1068 HydrophobicContact CG-CD1 3.53Å; L964-L1068 HydrophobicContact CG-CG 4.39Å; L964-L1118 HydrophobicContact CD1-CD2 4.17Å
965	N	72.3	Confident	69.6	Low	36 Å²	36	61.3 Å²	61.3	19%	0.193	34%	0.335	C	S	.	.			trans	-91	71.1	173.6	-159.8	-35	0	0	0	111.4	V913 V967 R968	V913-N965 PolarHBondContact O-N 3.17Å; N965-V967 PolarHBondContact O-N 3.06Å; N965-R968 HydrophobicContact CB-CG 4.49Å; N965-R968 PolarHBondContact O-N 3.49Å
966	L	69.6	Low	67.5	Low	32 Å²	32	68 Å²	68	17%	0.168	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-63.7	-18	178.6	-59.2	-179	0	0	0	113.3	V913 L964 R968 L969 M1060 V1063	V913-L966 HydrophobicContact CG1-CD2 4.12Å; L964-L966 HydrophobicContact CB-CD2 4.23Å; L964-L966 HydrophobicContact CB-CG 4.22Å; L964-L966 HydrophobicContact CD1-CD2 4.44Å; L964-L966 PolarHBondContact O-N 2.94Å; L966-R968 PolarHBondContact O-N 2.78Å; L966-L969 HydrophobicContact CD2-CD2 4.44Å; L966-L969 WeakPolarHBondContact O-CB 3.43Å; L966-L969 PolarHBondContact O-N 3.01Å; L966-M1060 HydrophobicContact CB-CG 3.39Å; L966-M1060 HydrophobicContact CB-SD 3.98Å; L966-M1060 HydrophobicContact CD1-CG 3.99Å; L966-M1060 HydrophobicContact CG-CG 4.35Å; L966-V1063 HydrophobicContact CD1-CB 4.02Å; L966-V1063 HydrophobicContact CD1-CG1 3.63Å
967	V	64.8	Low	65.1	Low	68 Å²	68	69.2 Å²	69.2	41%	0.412	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-71.1	-17	177.3	-174.5	0	0	0	0	112.5	N965	N965-V967 PolarHBondContact O-N 3.06Å
968	R	63.6	Low	62.3	Low	131 Å²	131	71 Å²	71	49%	0.494	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-78.7	-19.6	168.4	-69.3	174.7	177.3	152.5	0.3	113	Y912 N965 L966 G970 K971	Y912-R968 HydrophobicContact CD2-CB 4.31Å; Y912-R968 WeakPolarHBondContact O-CD 3.26Å; Y912-R968 PolarHBondContact O-NH1 3.02Å; N965-R968 HydrophobicContact CB-CG 4.49Å; N965-R968 PolarHBondContact O-N 3.49Å; L966-R968 PolarHBondContact O-N 2.78Å; R968-G970 PolarHBondContact O-N 2.67Å; R968-K971 PolarHBondContact O-N 3.3Å
969	L	56.7	Low	59.3	Low	25 Å²	25	80 Å²	80	13%	0.131	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	99.1	-174.6	-168.1	62.5	0	0	0	110.3	Y912 L966 V1038 A1042 F1047	Y912-L969 HydrophobicContact CE2-CD1 4.06Å; Y912-L969 WeakPolarHBondContact OH-CD1 3.45Å; L966-L969 HydrophobicContact CD2-CD2 4.44Å; L966-L969 WeakPolarHBondContact O-CB 3.43Å; L966-L969 PolarHBondContact O-N 3.01Å; L969-V1038 HydrophobicContact CD1-CG1 3.45Å; L969-V1038 VanDerWaalsContact CD1-CG1 3.45Å; L969-A1042 HydrophobicContact CD1-CB 3.57Å; L969-A1042 HydrophobicContact CG-CB 3.65Å; L969-F1047 HydrophobicContact CD2-CZ 3.94Å; L969-F1047 HydrophobicContact CG-CE1 4.38Å; L969-F1047 HydrophobicContact CG-CZ 4.24Å
970	G	50.3	Low	56.5	Low	20 Å²	20	83 Å²	83	21%	0.206	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.6	-2.2	174.6	0	0	0	0	0	115	R968 E972	R968-G970 PolarHBondContact O-N 2.67Å; G970-E972 PolarHBondContact O-N 2.77Å; G970-E972 VanDerWaalsContact O-N 3.16Å
971	K	55.6	Low	53.5	Low	169 Å²	169	90.9 Å²	90.9	74%	0.735	51%	0.507	S	S	*	.			trans	-85.7	26.2	-174.7	-133.9	-177.2	-174.8	-171.5	0	115	R968	R968-K971 PolarHBondContact O-N 3.3Å
972	E	45.8	Very low	50.5	Low	154 Å²	154	97.4 Å²	97.4	72%	0.72	54%	0.538	S	S	*	.			trans	-106.9	30.7	-171.5	-155.8	-177.4	-118.2	0	0	112.1	G970 K1043	G970-E972 PolarHBondContact O-N 2.77Å; G970-E972 VanDerWaalsContact O-N 3.16Å; E972-K1043 WeakPolarHBondContact OE2-CE 3.25Å; E972-K1043 IonicContact OE2-NZ 3.42Å; E972-K1043 PolarHBondContact OE2-NZ 3.18Å
973	G	44.8	Very low	47.6	Very low	64 Å²	64	108.5 Å²	108.5	66%	0.66	58%	0.58	S	S	*	*	S	Bend	trans	-123.6	-20.3	-170.3	0	0	0	0	0	116.7
974	E	36.6	Very low	44.7	Very low	197 Å²	197	109.6 Å²	109.6	92%	0.921	60%	0.598	S	S	*	*	S	Bend	trans	-144.1	130.8	-179.3	-70.5	-173.6	117.6	0	0	110.6
975	G	30	Very low	42.4	Very low	79 Å²	79	118.5 Å²	118.5	81%	0.814	63%	0.63	S	S	*	*			trans	129.4	94.4	172.3	0	0	0	0	0	114.3	G977	G975-G977 PolarHBondContact O-N 2.72Å
976	L	35.6	Very low	40.1	Very low	192 Å²	192	122.2 Å²	122.2	100%	1.005	66%	0.656	S	S	*	*			trans	-76.8	112.3	165.7	175.8	70	0	0	0	109.6
977	G	39.9	Very low	38.5	Very low	66 Å²	66	129.3 Å²	129.3	68%	0.68	68%	0.681	S	S	*	*	S	Bend	trans	120.3	153.7	160.9	0	0	0	0	0	117.8	G975	G975-G977 PolarHBondContact O-N 2.72Å
978	D	34.8	Very low	36.6	Very low	97 Å²	97	132 Å²	132	52%	0.519	70%	0.698	S	S	.	*			trans	52.3	81.6	174.4	-161.3	13.3	0	0	0	118.5	G980 K981	D978-G980 PolarHBondContact OD1-N 2.79Å; D978-K981 IonicContact OD2-NZ 3.22Å; D978-K981 PolarHBondContact OD2-NZ 3.36Å
979	H	28.6	Very low	35	Very low	206 Å²	206	134.4 Å²	134.4	95%	0.954	71%	0.708	S	S	*	*			trans	-114.2	42.9	140.1	-86.8	18.5	0	0	0	110.4	K981	H979-K981 PolarHBondContact O-N 2.72Å
980	G	33.1	Very low	33.8	Very low	66 Å²	66	138.4 Å²	138.4	68%	0.68	74%	0.737	S	S	*	*			trans	-94.5	36.8	-178.7	0	0	0	0	0	113.7	D978	D978-G980 PolarHBondContact OD1-N 2.79Å
981	K	27	Very low	33.4	Very low	166 Å²	166	142.9 Å²	142.9	72%	0.722	76%	0.756	S	S	*	*			trans	-130.3	80.6	-178.1	-70.1	-178.8	-178.2	129.8	0	111.7	D978 H979	D978-K981 IonicContact OD2-NZ 3.22Å; D978-K981 PolarHBondContact OD2-NZ 3.36Å; H979-K981 PolarHBondContact O-N 2.72Å
982	E	25.7	Very low	32.7	Very low	178 Å²	178	138.3 Å²	138.3	83%	0.832	75%	0.75	S	S	*	*			trans	-51.7	132.8	168.1	-176.7	178.2	178	0	0	111.3	S984	E982-S984 VanDerWaalsContact C-N 3.33Å; E982-S984 PolarHBondContact O-N 3.03Å; E982-S984 PolarHBondContact O-OG 3.46Å
983	W	24	Very low	32.1	Very low	234 Å²	234	138.8 Å²	138.8	89%	0.886	76%	0.757	S	S	*	*			trans	-74.9	87.5	179.6	-164.4	-69.8	0	0	0	110.3	R985	W983-R985 VanDerWaalsContact C-N 3.33Å; W983-R985 PolarHBondContact O-N 3.16Å
984	S	23.6	Very low	31.6	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	75%	0.745	S	S	*	*			trans	-68.2	84.2	-176.6	11.6	0	0	0	0	111.2	E982	E982-S984 VanDerWaalsContact C-N 3.33Å; E982-S984 PolarHBondContact O-N 3.03Å; E982-S984 PolarHBondContact O-OG 3.46Å
985	R	28.4	Very low	31.9	Very low	203 Å²	203	135.8 Å²	135.8	77%	0.766	74%	0.737	S	S	*	*			trans	-64.2	130.6	164.4	-74.6	-174.3	172.1	169	-2.1	108.4	W983 R987	W983-R985 VanDerWaalsContact C-N 3.33Å; W983-R985 PolarHBondContact O-N 3.16Å; R985-R987 PolarHBondContact O-N 2.69Å; R985-R987 VanDerWaalsContact O-N 3.14Å
986	P	24.6	Very low	32.5	Very low	114 Å²	114	136 Å²	136	74%	0.74	72%	0.717	S	S	*	*			trans	-57.2	119.8	178.7	-27	35.4	0	0	0	112.1	T988	P986-T988 PolarHBondContact O-N 2.66Å
987	R	34.5	Very low	32.7	Very low	181 Å²	181	128.9 Å²	128.9	68%	0.683	68%	0.678	S	S	*	*			trans	-77.4	63.9	172.9	-173.9	174.9	167.9	156.9	-5.8	109.7	E588 R985	E588-R987 VanDerWaalsContact CA-NH2 3.32Å; E588-R987 PolarHBondContact O-NH1 2.75Å; E588-R987 PolarHBondContact O-NH2 2.81Å; E588-R987 IonicContact OE1-CZ 3.03Å; E588-R987 IonicContact OE1-NE 2.78Å; E588-R987 IonicContact OE1-NH2 3.78Å; E588-R987 PolarHBondContact OE1-NH2 3.39Å; R985-R987 PolarHBondContact O-N 2.69Å; R985-R987 VanDerWaalsContact O-N 3.14Å
988	T	25.7	Very low	32.2	Very low	125 Å²	125	129 Å²	129	77%	0.767	67%	0.668	S	S	*	*			trans	-77.2	136.4	178.7	-50.8	0	0	0	0	110.5	P986	P986-T988 PolarHBondContact O-N 2.66Å
989	Y	29.5	Very low	32.2	Very low	180 Å²	180	125.9 Å²	125.9	71%	0.706	65%	0.654	S	S	*	*			trans	-79.6	119.9	-168.2	-153	-94	0	0	0	112.4	L991	Y989-L991 HydrophobicContact CE2-CD1 4.21Å
990	C	32.3	Very low	32.5	Very low	110 Å²	110	120.1 Å²	120.1	74%	0.743	64%	0.637	S	S	*	*			trans	-151.8	82.7	162.9	-87	0	0	0	0	108.3
991	L	41.2	Very low	32.5	Very low	114 Å²	114	118.8 Å²	118.8	60%	0.597	62%	0.62	S	S	*	*			trans	-105.1	10.8	-177	-82	173	0	0	0	114.5	Y989	Y989-L991 HydrophobicContact CE2-CD1 4.21Å
992	A	41.6	Very low	32.6	Very low	73 Å²	73	113.6 Å²	113.6	60%	0.603	61%	0.614	S	S	*	*	S	Bend	trans	-126.3	156.3	167.8	0	0	0	0	0	109.8	S994	A992-S994 PolarHBondContact O-N 2.72Å
993	D	32.2	Very low	32.9	Very low	163 Å²	163	106.8 Å²	106.8	87%	0.872	59%	0.585	S	S	*	*	S	Bend	trans	49.7	59	167.7	-57.2	-7.9	0	0	0	116.2
994	S	34.3	Very low	33.3	Very low	60 Å²	60	98.4 Å²	98.4	42%	0.42	56%	0.563	S	S	.	*			trans	-150.9	101.7	165	-76.4	0	0	0	0	112.1	R655 A992 E996	R655-S994 PolarHBondContact NH2-O 3.42Å; R655-S994 VanDerWaalsContact NH2-O 3.13Å; A992-S994 PolarHBondContact O-N 2.72Å; S994-E996 PolarHBondContact O-N 3.04Å; S994-E996 VanDerWaalsContact O-N 3.13Å
995	D	43.5	Very low	34	Very low	138 Å²	138	98.2 Å²	98.2	74%	0.738	55%	0.553	S	S	*	*			trans	-67.7	-2.8	175.5	-66	-55.4	0	0	0	114.4	E997	D995-E997 PolarHBondContact O-N 2.67Å
996	E	42.8	Very low	34.6	Very low	84 Å²	84	92.4 Å²	92.4	39%	0.393	54%	0.535	S	S	.	.			trans	-36.9	124.9	164.4	-66	-70.6	139.7	0	0	111.3	R655 K899 S994 S998	R655-E996 PolarHBondContact NH2-O 2.94Å; K899-E996 WeakPolarHBondContact CE-OE2 3.49Å; K899-E996 IonicContact NZ-OE1 2.76Å; K899-E996 PolarHBondContact NZ-OE1 3.34Å; K899-E996 IonicContact NZ-OE2 3.84Å; K899-E996 PolarHBondContact NZ-OE2 2.88Å; S994-E996 PolarHBondContact O-N 3.04Å; S994-E996 VanDerWaalsContact O-N 3.13Å; E996-S998 PolarHBondContact O-N 2.91Å
997	E	39.7	Very low	35.2	Very low	43 Å²	43	93 Å²	93	20%	0.201	53%	0.528	C	S	.	.			trans	-79.3	55.8	-176.3	-159.7	178.7	112.8	0	0	112	K654 K900 K904 D995 S999	K654-E997 IonicContact NZ-OE2 3.21Å; K654-E997 PolarHBondContact NZ-OE2 3.47Å; K900-E997 VanDerWaalsContact CE-OE2 3.31Å; K900-E997 WeakPolarHBondContact CE-OE2 3.4Å; K900-E997 IonicContact NZ-OE2 2.71Å; K904-E997 IonicContact NZ-OE1 2.88Å; D995-E997 PolarHBondContact O-N 2.67Å; E997-S999 PolarHBondContact O-N 2.66Å; E997-S999 PolarHBondContact O-OG 2.85Å
998	S	29.9	Very low	34.9	Very low	67 Å²	67	91.9 Å²	91.9	47%	0.469	54%	0.535	S	S	.	.			trans	-70.1	67.6	175	-70.2	0	0	0	0	111.3	E996 S1000	E996-S998 PolarHBondContact O-N 2.91Å; S998-S1000 PolarHBondContact O-N 3.09Å
999	S	35	Very low	35.3	Very low	33 Å²	33	90.5 Å²	90.5	23%	0.231	53%	0.529	C	S	.	.			trans	-68.2	68.2	166.8	-10.8	0	0	0	0	109.8	K907 E997 A1001	K907-S999 WeakPolarHBondContact CE-O 3.29Å; K907-S999 PolarHBondContact NZ-O 3.5Å; K907-S999 PolarHBondContact NZ-OG 2.71Å; E997-S999 PolarHBondContact O-N 2.66Å; E997-S999 PolarHBondContact O-OG 2.85Å; S999-A1001 PolarHBondContact O-N 2.8Å
1000	S	34.4	Very low	35.8	Very low	84 Å²	84	88 Å²	88	59%	0.587	53%	0.534	S	S	*	.			trans	-73.4	63.8	172.7	-179.1	0	0	0	0	109.8	K660 S998	K660-S1000 VanDerWaalsContact CD-O 3.29Å; K660-S1000 WeakPolarHBondContact CD-O 3.47Å; K660-S1000 WeakPolarHBondContact CE-O 3.31Å; K660-S1000 PolarHBondContact NZ-O 2.87Å; S998-S1000 PolarHBondContact O-N 3.09Å
1001	A	31.9	Very low	35.7	Very low	38 Å²	38	91.8 Å²	91.8	31%	0.314	54%	0.541	S	S	.	.			trans	-123.4	93.4	168.4	0	0	0	0	0	105.3	S999	S999-A1001 PolarHBondContact O-N 2.8Å
1002	G	30.2	Very low	35.3	Very low	58 Å²	58	93.8 Å²	93.8	60%	0.598	55%	0.551	S	S	*	*			trans	-62.2	154.8	-177.8	0	0	0	0	0	111.6	S1004	G1002-S1004 PolarHBondContact O-N 3.4Å
1003	S	31.7	Very low	34.9	Very low	34 Å²	34	97.9 Å²	97.9	24%	0.238	56%	0.562	C	S	.	*			trans	-70.5	75.8	162.1	-165.6	0	0	0	0	108.8	R909 D1005	R909-S1003 VanDerWaalsContact CZ-O 3.25Å; R909-S1003 PolarHBondContact NE-O 3.19Å; R909-S1003 PolarHBondContact NH2-O 2.98Å; S1003-D1005 PolarHBondContact O-N 3.47Å
1004	S	32.9	Very low	34.6	Very low	59 Å²	59	96.2 Å²	96.2	41%	0.413	56%	0.564	S	S	.	*			trans	-83.8	95.2	158.2	-148.6	0	0	0	0	106.9	G1002 E1006	G1002-S1004 PolarHBondContact O-N 3.4Å; S1004-E1006 PolarHBondContact OG-OE1 2.71Å
1005	D	37.2	Very low	34.3	Very low	102 Å²	102	100.8 Å²	100.8	55%	0.545	58%	0.584	S	S	.	*			trans	-72.9	131.5	162.1	-154.7	15.8	0	0	0	106.9	R909 S1003	R909-D1005 VanDerWaalsContact CZ-CB 3.45Å; R909-D1005 IonicContact NH1-OD2 2.76Å; R909-D1005 VanDerWaalsContact NH2-N 3.13Å; S1003-D1005 PolarHBondContact O-N 3.47Å
1006	E	41.9	Very low	33.6	Very low	81 Å²	81	104 Å²	104	38%	0.379	59%	0.591	S	S	.	*			trans	-131.7	53.1	-167	-58.5	-109.4	146.9	0	0	110.8	T593 R618 S1004 D1008	T593-E1006 WeakPolarHBondContact CG2-OE1 3.26Å; T593-E1006 VanDerWaalsContact CG2-OE2 3.28Å; T593-E1006 WeakPolarHBondContact CG2-OE2 3.24Å; R618-E1006 IonicContact CZ-OE2 2.62Å; R618-E1006 IonicContact NH1-OE2 3.99Å; R618-E1006 PolarHBondContact NH1-OE2 2.92Å; R618-E1006 IonicContact NH2-OE2 2.74Å; S1004-E1006 PolarHBondContact OG-OE1 2.71Å; E1006-D1008 PolarHBondContact O-N 3.29Å
1007	E	36.4	Very low	33.3	Very low	127 Å²	127	105.1 Å²	105.1	59%	0.593	61%	0.605	S	S	*	*			trans	-88	87.6	160.8	-67.6	-151.8	93.2	0	0	109.6	G1028	E1007-G1028 WeakPolarHBondContact OE2-CA 3.28Å
1008	D	28.4	Very low	32.7	Very low	156 Å²	156	110.5 Å²	110.5	83%	0.834	64%	0.635	S	S	*	*			trans	-164.2	117.4	157.6	-115.4	-15.5	0	0	0	112.2	E1006	E1006-D1008 PolarHBondContact O-N 3.29Å
1009	P	34.7	Very low	32.5	Very low	97 Å²	97	115.7 Å²	115.7	63%	0.63	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-95.5	150.7	160.3	36	-29.4	0	0	0	111	E1011	P1009-E1011 PolarHBondContact O-N 2.78Å
1010	P	38.9	Very low	32.6	Very low	127 Å²	127	119.5 Å²	119.5	83%	0.825	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-72.1	127.2	-176.4	28.6	-34.6	0	0	0	113.1
1011	E	31.5	Very low	32.3	Very low	189 Å²	189	120.3 Å²	120.3	88%	0.883	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-71.4	134.8	165.6	-66.3	-170.3	140.6	0	0	111.3	P1009	P1009-E1011 PolarHBondContact O-N 2.78Å
1012	L	31.4	Very low	32.1	Very low	156 Å²	156	124.7 Å²	124.7	82%	0.817	72%	0.721	S	S	*	*			trans	-139.1	102.1	163.6	-82.6	179.3	0	0	0	112
1013	L	33.6	Very low	32.2	Very low	159 Å²	159	131.2 Å²	131.2	83%	0.832	74%	0.736	S	S	*	*			trans	52.8	107.2	148.9	-58	176.6	0	0	0	119.6
1014	S	25.7	Very low	31.9	Very low	128 Å²	128	133.1 Å²	133.1	90%	0.895	76%	0.761	S	S	*	*			trans	-159	126.7	138.6	-84.5	0	0	0	0	112.4
1015	D	29.8	Very low	31.5	Very low	157 Å²	157	141 Å²	141	84%	0.84	78%	0.784	S	S	*	*			trans	-78.5	126.5	177.8	-71.2	-62.4	0	0	0	113.3
1016	K	28.4	Very low	31	Very low	206 Å²	206	142.7 Å²	142.7	90%	0.896	80%	0.797	S	S	*	*			trans	-178.1	161.2	131.8	-99.9	150.4	-169.4	166.4	0	113.7
1017	P	35.2	Very low	30.4	Very low	107 Å²	107	142 Å²	142	70%	0.695	81%	0.812	S	S	*	*			trans	-99.4	147.2	-162.7	36.9	-35.1	0	0	0	116.4
1018	N	28	Very low	30	Very low	155 Å²	155	138 Å²	138	83%	0.829	81%	0.805	S	S	*	*			trans	43.5	113.3	144.7	-59.2	-14.4	0	0	0	120.9
1019	L	26.2	Very low	30.5	Very low	177 Å²	177	136.4 Å²	136.4	93%	0.927	79%	0.792	S	S	*	*				-165.6	163.3	129.4	-97.5	169.4	0	0	0	108.5
1020	P	37.1	Very low	30.8	Very low	112 Å²	112	140.4 Å²	140.4	73%	0.727	80%	0.795	S	S	*	*			trans	-102.9	166	-160	39.1	-37.5	0	0	0	117
1021	A	28.2	Very low	31.1	Very low	102 Å²	102	137.9 Å²	137.9	84%	0.843	78%	0.779	S	S	*	*			trans	72.7	109.3	155.1	0	0	0	0	0	120.2
1022	S	27.3	Very low	32.4	Very low	129 Å²	129	131.1 Å²	131.1	90%	0.902	75%	0.752	S	S	*	*				-150	162.4	122.6	53.7	0	0	0	0	108.8
1023	E	32	Very low	33.6	Very low	195 Å²	195	131.6 Å²	131.6	91%	0.911	75%	0.748	S	S	*	*			trans	-115.8	132.4	-170.6	-169.3	161.3	-145.9	0	0	110.7
1024	G	24.6	Very low	34.7	Very low	75 Å²	75	126.9 Å²	126.9	77%	0.773	72%	0.722	S	S	*	*			trans	-148.3	140.1	-175.7	0	0	0	0	0	110.7
1025	Y	25.1	Very low	36.3	Very low	224 Å²	224	122.5 Å²	122.5	88%	0.878	69%	0.688	S	S	*	*			trans	-101.1	175.3	-161.3	-135.2	-100.4	0	0	0	114.1
1026	V	25.5	Very low	38	Very low	138 Å²	138	120.2 Å²	120.2	84%	0.836	67%	0.668	S	S	*	*			trans	91.6	123.6	170.2	-173.4	0	0	0	0	116.9
1027	G	30.1	Very low	39.4	Very low	66 Å²	66	114.4 Å²	114.4	68%	0.68	64%	0.643	S	S	*	*			trans	83.4	55.5	136.4	0	0	0	0	0	119.5
1028	G	27.4	Very low	40.9	Very low	44 Å²	44	111 Å²	111	45%	0.454	62%	0.62	S	S	.	*			trans	-161.2	125	163.4	0	0	0	0	0	111.7	E1007 R1030	E1007-G1028 WeakPolarHBondContact OE2-CA 3.28Å; G1028-R1030 PolarHBondContact O-N 2.65Å
1029	H	39.4	Very low	42.6	Very low	121 Å²	121	105.3 Å²	105.3	56%	0.56	59%	0.589	S	S	*	*			trans	-84.4	61.3	-164.9	-156.9	-57.8	0	0	0	113.2	Q1131	H1029-Q1131 PolarHBondContact NE2-NE2 3.29Å
1030	R	40.7	Very low	44.5	Very low	181 Å²	181	103.4 Å²	103.4	68%	0.683	57%	0.574	S	S	*	*			trans	-46.2	142.3	177.1	-73	177.5	162.4	-164.1	-5.7	111.7	G1028 S1032	G1028-R1030 PolarHBondContact O-N 2.65Å; R1030-S1032 PolarHBondContact O-N 2.94Å
1031	P	45.5	Very low	45.9	Very low	75 Å²	75	100.3 Å²	100.3	49%	0.487	55%	0.55	S	S	.	*			trans	-55.1	132.7	178.3	23.2	-33.8	0	0	0	109.5	M1035	P1031-M1035 HydrophobicContact CB-CB 4.29Å; P1031-M1035 HydrophobicContact CB-CG 4.26Å
1032	S	59.9	Low	47.7	Very low	47 Å²	47	95.5 Å²	95.5	33%	0.329	51%	0.511	S	S	.	.			trans	-43.8	144.2	-169.4	-56.7	0	0	0	0	112.2	R1030 I1034 M1035 R1036	R1030-S1032 PolarHBondContact O-N 2.94Å; S1032-I1034 CarbonylContact O-C 3.58Å; S1032-I1034 PolarHBondContact O-N 3.32Å; S1032-M1035 WeakPolarHBondContact O-CA 3.14Å; S1032-M1035 VanDerWaalsContact O-CB 3.29Å; S1032-M1035 WeakPolarHBondContact O-CB 2.95Å; S1032-M1035 PolarHBondContact O-N 3.43Å; S1032-R1036 PolarHBondContact O-N 2.79Å
1033	K	55.9	Low	49.6	Very low	166 Å²	166	94 Å²	94	72%	0.722	49%	0.488	S	S	*	.	H	α-helix	trans	-46	-43	179.6	-64.9	-179.4	-177.4	176.3	0	111.5	M1035 R1036 F1037	K1033-M1035 PolarHBondContact O-N 3.03Å; K1033-R1036 WeakPolarHBondContact O-CB 3.45Å; K1033-R1036 PolarHBondContact O-N 3.25Å; K1033-F1037 WeakPolarHBondContact O-CD2 3.15Å; K1033-F1037 PolarHBondContact O-N 3.14Å; K1033-F1037 VanDerWaalsContact O-N 3.07Å
1034	I	56.2	Low	51.6	Low	59 Å²	59	86.7 Å²	86.7	30%	0.303	46%	0.459	S	S	.	.	H	α-helix	trans	-53.2	-48.2	173.4	-60.3	152.9	0	0	0	112.9	S1032 R1036 F1037 V1038 H1120	S1032-I1034 CarbonylContact O-C 3.58Å; S1032-I1034 PolarHBondContact O-N 3.32Å; I1034-R1036 VanDerWaalsContact C-N 3.3Å; I1034-R1036 PolarHBondContact O-N 3.03Å; I1034-F1037 CarbonylContact O-C 3.53Å; I1034-F1037 WeakPolarHBondContact O-CA 3.33Å; I1034-F1037 WeakPolarHBondContact O-CB 3.33Å; I1034-F1037 PolarHBondContact O-N 2.87Å; I1034-V1038 HydrophobicContact CG2-CG2 4.36Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.29Å; I1034-V1038 PolarHBondContact O-N 3.14Å; I1034-H1120 HydrophobicContact CG2-CB 4.03Å
1035	M	60	Low	53.7	Low	37 Å²	37	91.4 Å²	91.4	18%	0.182	46%	0.458	C	S	.	.	H	α-helix	trans	-58.5	-43.5	177.9	-169	69.7	143.5	0	0	111.1	P911 Y912 V913 P1031 S1032 K1033 F1037 V1038 D1039	P911-M1035 HydrophobicContact CB-CE 3.72Å; Y912-M1035 HydrophobicContact CD1-CE 3.31Å; Y912-M1035 HydrophobicContact CD1-SD 4.47Å; Y912-M1035 HydrophobicContact CE1-CE 3.33Å; Y912-M1035 HydrophobicContact CE1-CG 4.48Å; Y912-M1035 HydrophobicContact CE1-SD 3.92Å; Y912-M1035 HydrophobicContact CG-CE 4.11Å; V913-M1035 HydrophobicContact CG2-SD 4.44Å; P1031-M1035 HydrophobicContact CB-CB 4.29Å; P1031-M1035 HydrophobicContact CB-CG 4.26Å; S1032-M1035 WeakPolarHBondContact O-CA 3.14Å; S1032-M1035 VanDerWaalsContact O-CB 3.29Å; S1032-M1035 WeakPolarHBondContact O-CB 2.95Å; S1032-M1035 PolarHBondContact O-N 3.43Å; K1033-M1035 PolarHBondContact O-N 3.03Å; M1035-F1037 PolarHBondContact O-N 3.31Å; M1035-V1038 CarbonylContact O-C 3.57Å; M1035-V1038 WeakPolarHBondContact O-CB 3.34Å; M1035-V1038 PolarHBondContact O-N 3.32Å; M1035-V1038 VanDerWaalsContact O-N 3.13Å; M1035-D1039 PolarHBondContact O-N 3.31Å
1036	R	65.8	Low	55.5	Low	108 Å²	108	90.3 Å²	90.3	41%	0.408	45%	0.454	S	S	.	.	H	α-helix	trans	-66.8	-23.4	175.6	-62.8	174.7	167.7	-154	-11.9	113.2	S1032 K1033 I1034 K1040	S1032-R1036 PolarHBondContact O-N 2.79Å; K1033-R1036 WeakPolarHBondContact O-CB 3.45Å; K1033-R1036 PolarHBondContact O-N 3.25Å; I1034-R1036 VanDerWaalsContact C-N 3.3Å; I1034-R1036 PolarHBondContact O-N 3.03Å; R1036-K1040 WeakPolarHBondContact O-CD 3.33Å; R1036-K1040 VanDerWaalsContact O-CG 3.24Å; R1036-K1040 WeakPolarHBondContact O-CG 3.19Å; R1036-K1040 PolarHBondContact O-N 2.73Å
1037	F	58.2	Low	57.6	Low	85 Å²	85	86.1 Å²	86.1	37%	0.373	42%	0.424	S	S	.	.	H	α-helix	trans	-79	-43.3	168.7	-77.6	-71.1	0	0	0	111.6	F333 K1033 I1034 M1035 D1039 K1040 I1041	F333-F1037 HydrophobicContact CE1-CB 3.66Å; F333-F1037 HydrophobicContact CE1-CD1 4.29Å; F333-F1037 HydrophobicContact CE1-CG 4.04Å; F333-F1037 HydrophobicContact CZ-CB 3.97Å; K1033-F1037 WeakPolarHBondContact O-CD2 3.15Å; K1033-F1037 PolarHBondContact O-N 3.14Å; K1033-F1037 VanDerWaalsContact O-N 3.07Å; I1034-F1037 CarbonylContact O-C 3.53Å; I1034-F1037 WeakPolarHBondContact O-CA 3.33Å; I1034-F1037 WeakPolarHBondContact O-CB 3.33Å; I1034-F1037 PolarHBondContact O-N 2.87Å; M1035-F1037 PolarHBondContact O-N 3.31Å; F1037-D1039 VanDerWaalsContact C-N 3.26Å; F1037-D1039 PolarHBondContact O-N 2.85Å; F1037-K1040 HydrophobicContact CD1-CD 4.25Å; F1037-K1040 CarbonylContact O-C 3.52Å; F1037-K1040 WeakPolarHBondContact O-CA 3.43Å; F1037-K1040 WeakPolarHBondContact O-CB 3.36Å; F1037-K1040 PolarHBondContact O-N 2.82Å; F1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; F1037-I1041 PolarHBondContact O-N 2.9Å
1038	V	66.4	Low	59.5	Low	35 Å²	35	86.1 Å²	86.1	21%	0.212	41%	0.406	C	S	.	.	H	α-helix	trans	-55.1	-42.9	172.5	169.2	0	0	0	0	110.8	L969 I1034 M1035 K1040 I1041 A1042	L969-V1038 HydrophobicContact CD1-CG1 3.45Å; L969-V1038 VanDerWaalsContact CD1-CG1 3.45Å; I1034-V1038 HydrophobicContact CG2-CG2 4.36Å; I1034-V1038 WeakPolarHBondContact O-CG2 3.29Å; I1034-V1038 PolarHBondContact O-N 3.14Å; M1035-V1038 CarbonylContact O-C 3.57Å; M1035-V1038 WeakPolarHBondContact O-CB 3.34Å; M1035-V1038 PolarHBondContact O-N 3.32Å; M1035-V1038 VanDerWaalsContact O-N 3.13Å; V1038-K1040 PolarHBondContact O-N 3.46Å; V1038-I1041 PolarHBondContact O-N 2.97Å; V1038-A1042 VanDerWaalsContact O-CB 3.32Å; V1038-A1042 WeakPolarHBondContact O-CB 3.45Å; V1038-A1042 PolarHBondContact O-N 2.82Å
1039	D	62.8	Low	61.6	Low	35 Å²	35	91.1 Å²	91.1	19%	0.187	42%	0.416	C	S	.	.	H	α-helix	trans	-59	-42.5	170.7	-61	-30.9	0	0	0	112.5	Y912 M1035 F1037 A1042 K1043	Y912-D1039 WeakPolarHBondContact CE1-OD1 3.13Å; Y912-D1039 PolarHBondContact OH-OD1 3.27Å; M1035-D1039 PolarHBondContact O-N 3.31Å; F1037-D1039 VanDerWaalsContact C-N 3.26Å; F1037-D1039 PolarHBondContact O-N 2.85Å; D1039-A1042 PolarHBondContact O-N 3.09Å; D1039-K1043 VanDerWaalsContact O-CB 3.27Å; D1039-K1043 WeakPolarHBondContact O-CB 3.18Å; D1039-K1043 WeakPolarHBondContact O-CD 3.47Å; D1039-K1043 VanDerWaalsContact O-CG 3.22Å; D1039-K1043 WeakPolarHBondContact O-CG 3.14Å; D1039-K1043 PolarHBondContact O-N 3.4Å
1040	K	67.4	Low	63	Low	137 Å²	137	86.2 Å²	86.2	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-69.9	-34.9	178	-76.5	170.1	-179.8	-178.6	0	112.9	R1036 F1037 V1038 S1044	R1036-K1040 WeakPolarHBondContact O-CD 3.33Å; R1036-K1040 VanDerWaalsContact O-CG 3.24Å; R1036-K1040 WeakPolarHBondContact O-CG 3.19Å; R1036-K1040 PolarHBondContact O-N 2.73Å; F1037-K1040 HydrophobicContact CD1-CD 4.25Å; F1037-K1040 CarbonylContact O-C 3.52Å; F1037-K1040 WeakPolarHBondContact O-CA 3.43Å; F1037-K1040 WeakPolarHBondContact O-CB 3.36Å; F1037-K1040 PolarHBondContact O-N 2.82Å; V1038-K1040 PolarHBondContact O-N 3.46Å; K1040-S1044 PolarHBondContact O-N 3.06Å; K1040-S1044 VanDerWaalsContact O-N 3.14Å
1041	I	66.1	Low	64.4	Low	47 Å²	47	79.2 Å²	79.2	24%	0.241	37%	0.373	C	S	.	.	H	α-helix	trans	-61.2	-52.8	169.8	-55.9	163.2	0	0	0	108	F333 F1037 V1038 K1043 S1044 F1047	F333-I1041 HydrophobicContact CD2-CD1 4.16Å; F333-I1041 HydrophobicContact CE2-CD1 3.23Å; F333-I1041 HydrophobicContact CE2-CG1 3.57Å; F333-I1041 HydrophobicContact CZ-CD1 3.52Å; F333-I1041 HydrophobicContact CZ-CG1 3.67Å; F1037-I1041 WeakPolarHBondContact O-CG1 3.46Å; F1037-I1041 PolarHBondContact O-N 2.9Å; V1038-I1041 PolarHBondContact O-N 2.97Å; I1041-K1043 PolarHBondContact O-N 3.31Å; I1041-S1044 WeakPolarHBondContact O-CB 3.46Å; I1041-S1044 PolarHBondContact O-N 2.86Å; I1041-F1047 HydrophobicContact CG2-CD2 3.78Å; I1041-F1047 HydrophobicContact CG2-CE2 4.31Å; I1041-F1047 HydrophobicContact CG2-CG 4.29Å; I1041-F1047 WeakPolarHBondContact O-CB 3.47Å
1042	A	65.8	Low	65.5	Low	1 Å²	1	82.2 Å²	82.2	1%	0.008	38%	0.381	C	S	.	.	H	α-helix	trans	-60	-34.5	-176.2	0	0	0	0	0	113.4	L969 V1038 D1039 S1044	L969-A1042 HydrophobicContact CD1-CB 3.57Å; L969-A1042 HydrophobicContact CG-CB 3.65Å; V1038-A1042 VanDerWaalsContact O-CB 3.32Å; V1038-A1042 WeakPolarHBondContact O-CB 3.45Å; V1038-A1042 PolarHBondContact O-N 2.82Å; D1039-A1042 PolarHBondContact O-N 3.09Å; A1042-S1044 VanDerWaalsContact C-N 3.35Å
1043	K	66.6	Low	66.5	Low	98 Å²	98	83.3 Å²	83.3	43%	0.426	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	5.2	177	-65.8	164.9	-177.1	172.7	0	113	E972 D1039 I1041	E972-K1043 WeakPolarHBondContact OE2-CE 3.25Å; E972-K1043 IonicContact OE2-NZ 3.42Å; E972-K1043 PolarHBondContact OE2-NZ 3.18Å; D1039-K1043 VanDerWaalsContact O-CB 3.27Å; D1039-K1043 WeakPolarHBondContact O-CB 3.18Å; D1039-K1043 WeakPolarHBondContact O-CD 3.47Å; D1039-K1043 VanDerWaalsContact O-CG 3.22Å; D1039-K1043 WeakPolarHBondContact O-CG 3.14Å; D1039-K1043 PolarHBondContact O-N 3.4Å; I1041-K1043 PolarHBondContact O-N 3.31Å
1044	S	73.9	Confident	67.3	Low	42 Å²	42	81.3 Å²	81.3	29%	0.294	38%	0.379	S	S	.	.			trans	-73.3	131.3	171.3	-178.8	0	0	0	0	110.4	K1040 I1041 A1042 Y1046 F1047 Q1048	K1040-S1044 PolarHBondContact O-N 3.06Å; K1040-S1044 VanDerWaalsContact O-N 3.14Å; I1041-S1044 WeakPolarHBondContact O-CB 3.46Å; I1041-S1044 PolarHBondContact O-N 2.86Å; A1042-S1044 VanDerWaalsContact C-N 3.35Å; S1044-Y1046 PolarHBondContact O-N 3.31Å; S1044-Y1046 VanDerWaalsContact O-N 3.09Å; S1044-Y1046 PolarHBondContact OG-N 3.39Å; S1044-F1047 WeakPolarHBondContact O-CB 3.37Å; S1044-F1047 PolarHBondContact O-N 2.81Å; S1044-Q1048 PolarHBondContact O-N 2.96Å
1045	K	69.2	Low	68.2	Low	173 Å²	173	83.5 Å²	83.5	75%	0.752	39%	0.386	S	S	*	.	H	α-helix	trans	-56.3	-27.6	175.7	-64.5	-178.1	178	-178.6	0	112.9	K1049	K1045-K1049 WeakPolarHBondContact O-CB 3.02Å; K1045-K1049 PolarHBondContact O-N 3.5Å; K1045-K1049 VanDerWaalsContact O-N 3.15Å
1046	Y	63.2	Low	68.9	Low	202 Å²	202	83.7 Å²	83.7	79%	0.792	39%	0.388	S	S	*	.	H	α-helix	trans	-74.7	-38	174.7	-66.8	-83.1	0	0	0	112.4	S1044 A1050	S1044-Y1046 PolarHBondContact O-N 3.31Å; S1044-Y1046 VanDerWaalsContact O-N 3.09Å; S1044-Y1046 PolarHBondContact OG-N 3.39Å; Y1046-A1050 WeakPolarHBondContact O-CB 3.32Å; Y1046-A1050 PolarHBondContact O-N 3.43Å
1047	F	70.2	Confident	69.3	Low	49 Å²	49	82.7 Å²	82.7	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-69.2	-45.9	175.7	-175.3	-90.1	0	0	0	111.1	L969 I1041 S1044 K1049 A1050 T1051 M1060	L969-F1047 HydrophobicContact CD2-CZ 3.94Å; L969-F1047 HydrophobicContact CG-CE1 4.38Å; L969-F1047 HydrophobicContact CG-CZ 4.24Å; I1041-F1047 HydrophobicContact CG2-CD2 3.78Å; I1041-F1047 HydrophobicContact CG2-CE2 4.31Å; I1041-F1047 HydrophobicContact CG2-CG 4.29Å; I1041-F1047 WeakPolarHBondContact O-CB 3.47Å; S1044-F1047 WeakPolarHBondContact O-CB 3.37Å; S1044-F1047 PolarHBondContact O-N 2.81Å; F1047-K1049 PolarHBondContact O-N 3.09Å; F1047-A1050 CarbonylContact O-C 3.52Å; F1047-A1050 WeakPolarHBondContact O-CB 3.49Å; F1047-A1050 PolarHBondContact O-N 2.97Å; F1047-A1050 VanDerWaalsContact O-N 3.13Å; F1047-T1051 HydrophobicContact CD1-CG2 3.98Å; F1047-T1051 HydrophobicContact CE1-CG2 3.56Å; F1047-T1051 HydrophobicContact CZ-CG2 3.86Å; F1047-T1051 WeakPolarHBondContact O-CG2 3.3Å; F1047-T1051 PolarHBondContact O-N 2.76Å; F1047-T1051 PolarHBondContact O-OG1 3.45Å; F1047-M1060 HydrophobicContact CZ-SD 4.46Å
1048	Q	70	Confident	70.2	Confident	67 Å²	67	85.4 Å²	85.4	31%	0.313	40%	0.398	S	S	.	.	H	α-helix	trans	-56.6	-53.6	176.2	-68.7	174.4	-33.9	0	0	110.9	S1044 A1050 T1051 E1052	S1044-Q1048 PolarHBondContact O-N 2.96Å; Q1048-A1050 VanDerWaalsContact C-N 3.26Å; Q1048-A1050 PolarHBondContact O-N 3Å; Q1048-T1051 WeakPolarHBondContact CA-OG1 3.45Å; Q1048-T1051 PolarHBondContact O-N 3Å; Q1048-T1051 PolarHBondContact O-OG1 3.41Å; Q1048-E1052 WeakPolarHBondContact O-CG 3.43Å; Q1048-E1052 PolarHBondContact O-N 2.94Å
1049	K	70.9	Confident	70.5	Confident	149 Å²	149	87.4 Å²	87.4	65%	0.648	40%	0.404	S	S	*	.	H	α-helix	trans	-63.2	-26.8	176.3	-169.8	169.8	-176.4	174	0	114.3	K1045 F1047	K1045-K1049 WeakPolarHBondContact O-CB 3.02Å; K1045-K1049 PolarHBondContact O-N 3.5Å; K1045-K1049 VanDerWaalsContact O-N 3.15Å; F1047-K1049 PolarHBondContact O-N 3.09Å
1050	A	68.6	Low	71	Confident	18 Å²	18	87.2 Å²	87.2	15%	0.149	40%	0.402	C	S	.	.	H	α-helix	trans	-69.9	-49.3	169.1	0	0	0	0	0	110.7	Y1046 F1047 Q1048 E1052 T1053 I1056	Y1046-A1050 WeakPolarHBondContact O-CB 3.32Å; Y1046-A1050 PolarHBondContact O-N 3.43Å; F1047-A1050 CarbonylContact O-C 3.52Å; F1047-A1050 WeakPolarHBondContact O-CB 3.49Å; F1047-A1050 PolarHBondContact O-N 2.97Å; F1047-A1050 VanDerWaalsContact O-N 3.13Å; Q1048-A1050 VanDerWaalsContact C-N 3.26Å; Q1048-A1050 PolarHBondContact O-N 3Å; A1050-E1052 PolarHBondContact O-N 3.1Å; A1050-T1053 VanDerWaalsContact O-CB 3.23Å; A1050-T1053 WeakPolarHBondContact O-CB 3.24Å; A1050-T1053 PolarHBondContact O-N 3.11Å; A1050-T1053 PolarHBondContact O-OG1 2.76Å; A1050-I1056 HydrophobicContact CB-CD1 3.82Å; A1050-I1056 HydrophobicContact CB-CG2 4.47Å; A1050-I1056 VanDerWaalsContact O-CB 3.31Å; A1050-I1056 WeakPolarHBondContact O-CB 3.44Å; A1050-I1056 WeakPolarHBondContact O-CD1 3.07Å
1051	T	69	Low	71.2	Confident	33 Å²	33	85.5 Å²	85.5	20%	0.202	40%	0.396	C	S	.	.	H	α-helix	trans	-64.9	-22.1	179.3	56.5	0	0	0	0	114.6	F1047 Q1048 T1053 M1060	F1047-T1051 HydrophobicContact CD1-CG2 3.98Å; F1047-T1051 HydrophobicContact CE1-CG2 3.56Å; F1047-T1051 HydrophobicContact CZ-CG2 3.86Å; F1047-T1051 WeakPolarHBondContact O-CG2 3.3Å; F1047-T1051 PolarHBondContact O-N 2.76Å; F1047-T1051 PolarHBondContact O-OG1 3.45Å; Q1048-T1051 WeakPolarHBondContact CA-OG1 3.45Å; Q1048-T1051 PolarHBondContact O-N 3Å; Q1048-T1051 PolarHBondContact O-OG1 3.41Å; T1051-T1053 PolarHBondContact O-N 3.46Å; T1051-M1060 HydrophobicContact CG2-CE 3.9Å; T1051-M1060 HydrophobicContact CG2-SD 3.91Å
1052	E	70	Confident	71.5	Confident	138 Å²	138	86 Å²	86	65%	0.645	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23	168.2	-73	162.2	-152.4	0	0	113	Q1048 A1050 E1054	Q1048-E1052 WeakPolarHBondContact O-CG 3.43Å; Q1048-E1052 PolarHBondContact O-N 2.94Å; A1050-E1052 PolarHBondContact O-N 3.1Å; E1052-E1054 PolarHBondContact O-N 2.93Å
1053	T	80.1	Confident	71.7	Confident	71 Å²	71	88 Å²	88	44%	0.436	41%	0.41	S	S	.	.	S	Bend	trans	-77.4	118.8	-179.3	-58.1	0	0	0	0	110.1	A1050 T1051 F1055 I1056 K1057	A1050-T1053 VanDerWaalsContact O-CB 3.23Å; A1050-T1053 WeakPolarHBondContact O-CB 3.24Å; A1050-T1053 PolarHBondContact O-N 3.11Å; A1050-T1053 PolarHBondContact O-OG1 2.76Å; T1051-T1053 PolarHBondContact O-N 3.46Å; T1053-F1055 HydrophobicContact CG2-CB 4.33Å; T1053-F1055 PolarHBondContact O-N 3.33Å; T1053-I1056 WeakPolarHBondContact O-CA 3.17Å; T1053-I1056 PolarHBondContact O-N 3.44Å; T1053-K1057 PolarHBondContact O-N 3.28Å
1054	E	74	Confident	71.9	Confident	123 Å²	123	84 Å²	84	58%	0.575	39%	0.394	S	S	*	.	H	α-helix	trans	-51.3	-31.2	-177.4	-71.5	-63.6	143.2	0	0	114.5	E1052 K1057 K1058	E1052-E1054 PolarHBondContact O-N 2.93Å; E1054-K1057 IonicContact OE1-NZ 2.75Å; E1054-K1057 PolarHBondContact OE1-NZ 3.15Å; E1054-K1057 IonicContact OE2-NZ 2.99Å; E1054-K1057 PolarHBondContact OE2-NZ 3.02Å; E1054-K1058 WeakPolarHBondContact O-CB 3.41Å; E1054-K1058 PolarHBondContact O-N 2.79Å
1055	F	74.8	Confident	71.8	Confident	105 Å²	105	87.4 Å²	87.4	46%	0.461	41%	0.409	S	S	.	.	H	α-helix	trans	-67.1	-44.2	173.1	-174.7	-83.7	0	0	0	112.9	L322 T1053 K1058 K1059	L322-F1055 HydrophobicContact CD1-CD1 3.47Å; L322-F1055 VanDerWaalsContact CD1-CD1 3.47Å; L322-F1055 HydrophobicContact CD1-CE1 3.48Å; L322-F1055 VanDerWaalsContact CD1-CE1 3.48Å; L322-F1055 HydrophobicContact CD2-CE1 4.4Å; T1053-F1055 HydrophobicContact CG2-CB 4.33Å; T1053-F1055 PolarHBondContact O-N 3.33Å; F1055-K1058 PolarHBondContact O-N 3.22Å; F1055-K1059 HydrophobicContact CD1-CG 4.14Å; F1055-K1059 HydrophobicContact CE1-CG 3.74Å; F1055-K1059 HydrophobicContact CZ-CG 4.24Å; F1055-K1059 WeakPolarHBondContact O-CB 3.42Å; F1055-K1059 WeakPolarHBondContact O-CG 3.28Å; F1055-K1059 PolarHBondContact O-N 2.8Å
1056	I	74.3	Confident	72.2	Confident	41 Å²	41	81.9 Å²	81.9	21%	0.21	39%	0.39	C	S	.	.	H	α-helix	trans	-72.9	-42.9	-179.2	-65.1	179	0	0	0	109.8	L322 A1050 T1053 K1058 K1059 M1060	L322-I1056 HydrophobicContact CD1-CD1 4.05Å; L322-I1056 HydrophobicContact CD1-CG1 3.57Å; A1050-I1056 HydrophobicContact CB-CD1 3.82Å; A1050-I1056 HydrophobicContact CB-CG2 4.47Å; A1050-I1056 VanDerWaalsContact O-CB 3.31Å; A1050-I1056 WeakPolarHBondContact O-CB 3.44Å; A1050-I1056 WeakPolarHBondContact O-CD1 3.07Å; T1053-I1056 WeakPolarHBondContact O-CA 3.17Å; T1053-I1056 PolarHBondContact O-N 3.44Å; I1056-K1058 PolarHBondContact O-N 3.36Å; I1056-K1059 PolarHBondContact O-N 3.13Å; I1056-K1059 VanDerWaalsContact O-N 3.17Å; I1056-M1060 VanDerWaalsContact O-CB 3.29Å; I1056-M1060 WeakPolarHBondContact O-CB 3.46Å; I1056-M1060 PolarHBondContact O-N 2.88Å
1057	K	73.9	Confident	72.9	Confident	87 Å²	87	74.9 Å²	74.9	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-52	-51.6	168.2	179.7	-179.5	162.5	-146	0	111.5	T1053 E1054 K1059 M1060 E1061	T1053-K1057 PolarHBondContact O-N 3.28Å; E1054-K1057 IonicContact OE1-NZ 2.75Å; E1054-K1057 PolarHBondContact OE1-NZ 3.15Å; E1054-K1057 IonicContact OE2-NZ 2.99Å; E1054-K1057 PolarHBondContact OE2-NZ 3.02Å; K1057-K1059 PolarHBondContact O-N 3.13Å; K1057-M1060 PolarHBondContact O-N 2.8Å; K1057-E1061 VanDerWaalsContact O-CB 3.28Å; K1057-E1061 WeakPolarHBondContact O-CB 3.47Å; K1057-E1061 PolarHBondContact O-N 2.99Å
1058	K	77.3	Confident	73.4	Confident	142 Å²	142	73.9 Å²	73.9	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-36.3	176.5	-177.5	174.2	-179.7	176.6	0	113	E1054 F1055 I1056 E1062	E1054-K1058 WeakPolarHBondContact O-CB 3.41Å; E1054-K1058 PolarHBondContact O-N 2.79Å; F1055-K1058 PolarHBondContact O-N 3.22Å; I1056-K1058 PolarHBondContact O-N 3.36Å; K1058-E1062 VanDerWaalsContact O-CB 3.27Å; K1058-E1062 WeakPolarHBondContact O-CB 3.19Å; K1058-E1062 PolarHBondContact O-N 2.77Å
1059	K	72.4	Confident	74.1	Confident	78 Å²	78	73.3 Å²	73.3	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-71.8	-38.7	175.7	-81.9	-72.7	168.8	-160.4	0	112.7	F1055 I1056 K1057 E1061 E1062 V1063	F1055-K1059 HydrophobicContact CD1-CG 4.14Å; F1055-K1059 HydrophobicContact CE1-CG 3.74Å; F1055-K1059 HydrophobicContact CZ-CG 4.24Å; F1055-K1059 WeakPolarHBondContact O-CB 3.42Å; F1055-K1059 WeakPolarHBondContact O-CG 3.28Å; F1055-K1059 PolarHBondContact O-N 2.8Å; I1056-K1059 PolarHBondContact O-N 3.13Å; I1056-K1059 VanDerWaalsContact O-N 3.17Å; K1057-K1059 PolarHBondContact O-N 3.13Å; K1059-E1061 VanDerWaalsContact C-N 3.34Å; K1059-E1062 WeakPolarHBondContact CD-OE2 3.38Å; K1059-E1062 WeakPolarHBondContact CE-OE2 3.43Å; K1059-E1062 VanDerWaalsContact NZ-CD 3.3Å; K1059-E1062 IonicContact NZ-OE1 3.29Å; K1059-E1062 PolarHBondContact NZ-OE1 3.34Å; K1059-E1062 VanDerWaalsContact NZ-OE1 3.14Å; K1059-E1062 IonicContact NZ-OE2 2.97Å; K1059-E1062 PolarHBondContact NZ-OE2 3.02Å; K1059-E1062 PolarHBondContact O-N 2.92Å; K1059-V1063 WeakPolarHBondContact O-CG2 3.44Å; K1059-V1063 PolarHBondContact O-N 3.05Å
1060	M	72.9	Confident	74.9	Confident	31 Å²	31	66.2 Å²	66.2	15%	0.153	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-39.7	173.4	-172.1	168.6	72.2	0	0	111	L966 F1047 T1051 I1056 K1057 S1064	L966-M1060 HydrophobicContact CB-CG 3.39Å; L966-M1060 HydrophobicContact CB-SD 3.98Å; L966-M1060 HydrophobicContact CD1-CG 3.99Å; L966-M1060 HydrophobicContact CG-CG 4.35Å; F1047-M1060 HydrophobicContact CZ-SD 4.46Å; T1051-M1060 HydrophobicContact CG2-CE 3.9Å; T1051-M1060 HydrophobicContact CG2-SD 3.91Å; I1056-M1060 VanDerWaalsContact O-CB 3.29Å; I1056-M1060 WeakPolarHBondContact O-CB 3.46Å; I1056-M1060 PolarHBondContact O-N 2.88Å; K1057-M1060 PolarHBondContact O-N 2.8Å; M1060-S1064 VanDerWaalsContact O-CB 3.26Å; M1060-S1064 WeakPolarHBondContact O-CB 3.43Å; M1060-S1064 PolarHBondContact O-N 2.88Å; M1060-S1064 PolarHBondContact O-OG 3.26Å
1061	E	71.8	Confident	76	Confident	100 Å²	100	66.2 Å²	66.2	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-46.5	172.1	-175.2	171.3	-162.9	0	0	111.7	K1057 K1059 V1063 S1064 N1065	K1057-E1061 VanDerWaalsContact O-CB 3.28Å; K1057-E1061 WeakPolarHBondContact O-CB 3.47Å; K1057-E1061 PolarHBondContact O-N 2.99Å; K1059-E1061 VanDerWaalsContact C-N 3.34Å; E1061-V1063 PolarHBondContact O-N 2.76Å; E1061-S1064 WeakPolarHBondContact CA-OG 3.49Å; E1061-S1064 PolarHBondContact O-N 2.76Å; E1061-S1064 VanDerWaalsContact O-N 3.17Å; E1061-S1064 PolarHBondContact O-OG 2.81Å; E1061-N1065 WeakPolarHBondContact CG-ND2 3.34Å; E1061-N1065 WeakPolarHBondContact O-CB 3.48Å; E1061-N1065 PolarHBondContact O-N 3.02Å; E1061-N1065 PolarHBondContact O-ND2 2.89Å
1062	E	72.7	Confident	77.1	Confident	58 Å²	58	64.7 Å²	64.7	27%	0.271	32%	0.323	S	S	.	.	H	α-helix	trans	-57.9	-45.5	175.4	-174.3	-173.6	147.9	0	0	112	K1058 K1059 T1066 R1114	K1058-E1062 VanDerWaalsContact O-CB 3.27Å; K1058-E1062 WeakPolarHBondContact O-CB 3.19Å; K1058-E1062 PolarHBondContact O-N 2.77Å; K1059-E1062 WeakPolarHBondContact CD-OE2 3.38Å; K1059-E1062 WeakPolarHBondContact CE-OE2 3.43Å; K1059-E1062 VanDerWaalsContact NZ-CD 3.3Å; K1059-E1062 IonicContact NZ-OE1 3.29Å; K1059-E1062 PolarHBondContact NZ-OE1 3.34Å; K1059-E1062 VanDerWaalsContact NZ-OE1 3.14Å; K1059-E1062 IonicContact NZ-OE2 2.97Å; K1059-E1062 PolarHBondContact NZ-OE2 3.02Å; K1059-E1062 PolarHBondContact O-N 2.92Å; E1062-T1066 PolarHBondContact O-N 3.32Å; E1062-T1066 PolarHBondContact O-OG1 2.79Å; E1062-R1114 IonicContact OE1-CZ 2.75Å; E1062-R1114 VanDerWaalsContact OE1-CZ 3.24Å; E1062-R1114 IonicContact OE1-NH1 3.52Å; E1062-R1114 PolarHBondContact OE1-NH1 2.79Å; E1062-R1114 IonicContact OE1-NH2 3.57Å; E1062-R1114 PolarHBondContact OE1-NH2 2.95Å
1063	V	70.6	Confident	78.1	Confident	44 Å²	44	60 Å²	60	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-40.9	174.4	174.1	0	0	0	0	111.1	L966 K1059 E1061 N1065 T1066	L966-V1063 HydrophobicContact CD1-CB 4.02Å; L966-V1063 HydrophobicContact CD1-CG1 3.63Å; K1059-V1063 WeakPolarHBondContact O-CG2 3.44Å; K1059-V1063 PolarHBondContact O-N 3.05Å; E1061-V1063 PolarHBondContact O-N 2.76Å; V1063-N1065 VanDerWaalsContact C-N 3.33Å; V1063-N1065 PolarHBondContact O-N 2.99Å; V1063-T1066 WeakPolarHBondContact O-CB 3.41Å; V1063-T1066 PolarHBondContact O-N 2.71Å; V1063-T1066 VanDerWaalsContact O-N 3.15Å
1064	S	69.8	Low	78.7	Confident	14 Å²	14	57.7 Å²	57.7	10%	0.098	29%	0.286	C	S	.	.	H	α-helix	trans	-68.5	-29.3	-177.9	71.3	0	0	0	0	114.7	L964 M1060 E1061 T1066	L964-S1064 WeakPolarHBondContact O-CA 3.06Å; L964-S1064 WeakPolarHBondContact O-CB 3.47Å; M1060-S1064 VanDerWaalsContact O-CB 3.26Å; M1060-S1064 WeakPolarHBondContact O-CB 3.43Å; M1060-S1064 PolarHBondContact O-N 2.88Å; M1060-S1064 PolarHBondContact O-OG 3.26Å; E1061-S1064 WeakPolarHBondContact CA-OG 3.49Å; E1061-S1064 PolarHBondContact O-N 2.76Å; E1061-S1064 VanDerWaalsContact O-N 3.17Å; E1061-S1064 PolarHBondContact O-OG 2.81Å; S1064-T1066 VanDerWaalsContact C-N 3.33Å
1065	N	71.9	Confident	79.5	Confident	112 Å²	112	54 Å²	54	60%	0.599	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-8	175.4	-73.2	-65.4	0	0	0	112.8	E1061 V1063	E1061-N1065 WeakPolarHBondContact CG-ND2 3.34Å; E1061-N1065 WeakPolarHBondContact O-CB 3.48Å; E1061-N1065 PolarHBondContact O-N 3.02Å; E1061-N1065 PolarHBondContact O-ND2 2.89Å; V1063-N1065 VanDerWaalsContact C-N 3.33Å; V1063-N1065 PolarHBondContact O-N 2.99Å
1066	T	78.9	Confident	80.3	Confident	57 Å²	57	51.5 Å²	51.5	35%	0.35	26%	0.259	S	S	.	.	S	Bend	trans	-82	122.2	177.2	-59.9	0	0	0	0	109.8	E1062 V1063 S1064 L1068	E1062-T1066 PolarHBondContact O-N 3.32Å; E1062-T1066 PolarHBondContact O-OG1 2.79Å; V1063-T1066 WeakPolarHBondContact O-CB 3.41Å; V1063-T1066 PolarHBondContact O-N 2.71Å; V1063-T1066 VanDerWaalsContact O-N 3.15Å; S1064-T1066 VanDerWaalsContact C-N 3.33Å; T1066-L1068 PolarHBondContact O-N 2.78Å
1067	P	77.3	Confident	81.2	Confident	56 Å²	56	50.4 Å²	50.4	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.3	171.3	27.8	-32.5	0	0	0	110.3	E961 K963 L1069	E961-P1067 HydrophobicContact CG-CB 3.88Å; E961-P1067 WeakPolarHBondContact OE1-CB 3.3Å; K963-P1067 HydrophobicContact CG-CB 4.36Å; P1067-L1069 HydrophobicContact CB-CD1 4.28Å
1068	L	79.4	Confident	82.3	Confident	28 Å²	28	52 Å²	52	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.4	171.2	-58.8	-172.5	0	0	0	109	E961 T962 L964 T1066 L1118	E961-L1068 CarbonylContact C-O 3.57Å; E961-L1068 WeakPolarHBondContact CA-O 3.16Å; T962-L1068 HydrophobicContact CG2-CB 4.13Å; T962-L1068 PolarHBondContact N-O 2.94Å; T962-L1068 PolarHBondContact O-N 2.94Å; L964-L1068 HydrophobicContact CD1-CD1 3.67Å; L964-L1068 HydrophobicContact CD2-CD1 3.98Å; L964-L1068 HydrophobicContact CG-CD1 3.53Å; L964-L1068 HydrophobicContact CG-CG 4.39Å; T1066-L1068 PolarHBondContact O-N 2.78Å; L1068-L1118 HydrophobicContact CD1-CD1 3.81Å; L1068-L1118 HydrophobicContact CD1-CD2 3.54Å; L1068-L1118 HydrophobicContact CD1-CG 4.34Å; L1068-L1118 HydrophobicContact CD2-CD1 4.1Å; L1068-L1118 HydrophobicContact CG-CD1 4.45Å
1069	L	86.6	Confident	83.1	Confident	55 Å²	55	45.8 Å²	45.8	29%	0.288	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.3	172.2	-78.1	70.2	0	0	0	108.8	T959 E961 P1067 K1110	T959-L1069 HydrophobicContact CG2-CB 4.13Å; T959-L1069 HydrophobicContact CG2-CD2 4.23Å; T959-L1069 HydrophobicContact CG2-CG 4.32Å; E961-L1069 HydrophobicContact CG-CD1 4.5Å; P1067-L1069 HydrophobicContact CB-CD1 4.28Å; L1069-K1110 HydrophobicContact CB-CB 3.86Å; L1069-K1110 HydrophobicContact CB-CD 4.23Å; L1069-K1110 HydrophobicContact CD2-CD 4.32Å; L1069-K1110 PolarHBondContact O-N 3.41Å
1070	L	87.3	Confident	84.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	109.4	-175.4	-56.1	176.6	0	0	0	108.4	L960 T962 V1072 R1108 P1109 L1118 V1121 T1122 I1125	L960-L1070 PolarHBondContact N-O 2.94Å; L960-L1070 PolarHBondContact O-N 2.85Å; T962-L1070 HydrophobicContact CG2-CD1 4.11Å; L1070-V1072 PolarHBondContact O-N 2.85Å; L1070-R1108 CarbonylContact C-O 3.5Å; L1070-P1109 HydrophobicContact CD2-CB 3.89Å; L1070-L1118 HydrophobicContact CD2-CD1 4.37Å; L1070-V1121 HydrophobicContact CD1-CG1 4.15Å; L1070-T1122 HydrophobicContact CD2-CG2 4.35Å; L1070-I1125 HydrophobicContact CD1-CD1 3.33Å
1071	T	91	Very high	85.3	Confident	18 Å²	18	44.4 Å²	44.4	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.1	172.1	30.1	0	0	0	0	109.8	L957 M958 T959 A1107 R1108 K1110	L957-T1071 HydrophobicContact CD1-CG2 4.24Å; L957-T1071 HydrophobicContact CD2-CG2 4.31Å; L957-T1071 HydrophobicContact CG-CG2 4.3Å; M958-T1071 CarbonylContact O-C 3.31Å; M958-T1071 WeakPolarHBondContact O-CA 3.37Å; T959-T1071 HydrophobicContact CG2-CG2 4.49Å; T959-T1071 WeakPolarHBondContact OG1-CG2 3.35Å; T1071-A1107 CarbonylContact O-C 3.52Å; T1071-A1107 WeakPolarHBondContact O-CA 3.18Å; T1071-R1108 PolarHBondContact N-O 3.26Å; T1071-R1108 PolarHBondContact O-N 2.97Å; T1071-R1108 PolarHBondContact OG1-O 3.37Å; T1071-K1110 HydrophobicContact CG2-CD 3.97Å; T1071-K1110 HydrophobicContact CG2-CG 3.96Å
1072	V	91.4	Very high	86.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.6	170.7	-172.8	0	0	0	0	108.8	M958 L960 L1070 K1106 A1107 I1125 L1129	M958-V1072 HydrophobicContact CG-CB 3.76Å; M958-V1072 HydrophobicContact CG-CG2 4.46Å; M958-V1072 PolarHBondContact N-O 2.86Å; M958-V1072 PolarHBondContact O-N 2.86Å; M958-V1072 HydrophobicContact SD-CB 4.37Å; L960-V1072 HydrophobicContact CD1-CG2 3.84Å; L960-V1072 HydrophobicContact CG-CG2 4.21Å; L1070-V1072 PolarHBondContact O-N 2.85Å; V1072-K1106 WeakPolarHBondContact CA-O 3.16Å; V1072-A1107 HydrophobicContact CG2-CB 4.01Å; V1072-I1125 HydrophobicContact CG2-CG2 3.97Å; V1072-L1129 HydrophobicContact CG1-CD1 3.88Å; V1072-L1129 HydrophobicContact CG2-CD1 4.28Å
1073	E	92.1	Very high	87.6	Confident	41 Å²	41	37.5 Å²	37.5	19%	0.192	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.6	-178.1	-171.9	-179.3	-150.4	0	0	109.3	F956 L957 Q1075 L1105 K1106 R1108	F956-E1073 WeakPolarHBondContact O-CA 3.12Å; L957-E1073 HydrophobicContact CD1-CB 3.76Å; L957-E1073 HydrophobicContact CD1-CG 4.15Å; E1073-Q1075 HydrophobicContact CG-CG 3.98Å; E1073-Q1075 PolarHBondContact OE2-NE2 3.1Å; E1073-L1105 WeakPolarHBondContact O-CA 3.47Å; E1073-K1106 PolarHBondContact N-O 3.41Å; E1073-K1106 PolarHBondContact O-N 2.96Å; E1073-R1108 IonicContact OE1-NH2 3.57Å; E1073-R1108 IonicContact OE2-CZ 3.97Å; E1073-R1108 IonicContact OE2-NE 3.17Å; E1073-R1108 PolarHBondContact OE2-NE 3.49Å; E1073-R1108 IonicContact OE2-NH2 3.97Å; E1073-R1108 PolarHBondContact OE2-NH2 2.88Å
1074	V	92	Very high	88.7	Confident	21 Å²	21	35.4 Å²	35.4	13%	0.127	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	104.6	170.2	-169.9	0	0	0	0	107.5	F956 L1103 L1105	F956-V1074 HydrophobicContact CB-CB 4.23Å; F956-V1074 HydrophobicContact CB-CG2 4.33Å; F956-V1074 HydrophobicContact CD1-CG2 3.9Å; F956-V1074 HydrophobicContact CG-CG2 4.49Å; F956-V1074 PolarHBondContact O-N 2.96Å; V1074-L1103 HydrophobicContact CG1-CD1 4.01Å; V1074-L1105 HydrophobicContact CB-CD2 4.24Å; V1074-L1105 HydrophobicContact CG1-CD2 4.13Å; V1074-L1105 HydrophobicContact CG2-CD2 3.74Å
1075	Q	90.8	Very high	89.8	Confident	46 Å²	46	36.6 Å²	36.6	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-54.2	-172.7	-58.1	-160.5	-20.9	0	0	111.2	G954 E1073 E1104 K1106	G954-Q1075 PolarHBondContact N-O 3.27Å; E1073-Q1075 HydrophobicContact CG-CG 3.98Å; E1073-Q1075 PolarHBondContact OE2-NE2 3.1Å; Q1075-E1104 HydrophobicContact CB-CB 4.3Å; Q1075-E1104 HydrophobicContact CB-CG 4.19Å; Q1075-E1104 PolarHBondContact N-O 2.84Å; Q1075-E1104 PolarHBondContact OE1-OE1 3.46Å; Q1075-K1106 HydrophobicContact CG-CB 4.44Å; Q1075-K1106 VanDerWaalsContact NE2-CD 3.35Å
1076	E	92.8	Very high	90.7	Very high	52 Å²	52	31.6 Å²	31.6	24%	0.243	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.3	172.2	-172.4	174.4	176.3	0	0	111.4	Y952 T953 R1078 H1102 L1103 E1104	Y952-E1076 CarbonylContact O-C 3.59Å; Y952-E1076 VanDerWaalsContact O-CA 3.26Å; Y952-E1076 WeakPolarHBondContact O-CA 3.41Å; T953-E1076 HydrophobicContact CG2-CG 4.16Å; E1076-R1078 HydrophobicContact CG-CB 4.45Å; E1076-R1078 WeakPolarHBondContact OE1-CB 3.39Å; E1076-H1102 IonicContact OE2-ND1 3.92Å; E1076-L1103 WeakPolarHBondContact O-CA 3.35Å; E1076-E1104 PolarHBondContact O-N 3.15Å
1077	C	93.7	Very high	91.1	Very high	18 Å²	18	30.7 Å²	30.7	12%	0.122	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	112.4	161.2	-177.4	0	0	0	0	109.3	Y952 H1102 L1103	Y952-C1077 PolarHBondContact N-O 3.45Å; Y952-C1077 PolarHBondContact O-N 2.93Å; C1077-H1102 CarbonylContact C-O 3.6Å; C1077-H1102 VanDerWaalsContact CA-O 3.27Å; C1077-H1102 WeakPolarHBondContact CA-O 3.08Å; C1077-L1103 HydrophobicContact CB-CD1 3.87Å
1078	R	95.2	Very high	91.3	Very high	120 Å²	120	33.5 Å²	33.5	45%	0.453	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.4	-180	-179.6	179.3	171.7	-140.3	-2.8	112.3	E949 V950 E1076 P1101 H1102	E949-R1078 IonicContact OE1-CZ 3.54Å; E949-R1078 IonicContact OE1-NE 2.66Å; E949-R1078 PolarHBondContact OE1-NE 2.73Å; E949-R1078 IonicContact OE1-NH2 3.62Å; E949-R1078 PolarHBondContact OE1-NH2 2.82Å; V950-R1078 CarbonylContact O-C 3.56Å; V950-R1078 VanDerWaalsContact O-CA 3.28Å; V950-R1078 WeakPolarHBondContact O-CA 3.26Å; E1076-R1078 HydrophobicContact CG-CB 4.45Å; E1076-R1078 WeakPolarHBondContact OE1-CB 3.39Å; R1078-P1101 CarbonylContact O-C 3.6Å; R1078-P1101 WeakPolarHBondContact O-CA 3.17Å; R1078-P1101 WeakPolarHBondContact O-CB 3.26Å; R1078-H1102 PolarHBondContact N-O 2.78Å; R1078-H1102 PolarHBondContact O-N 3.11Å
1079	G	95.1	Very high	91.2	Very high	12 Å²	12	35 Å²	35	12%	0.124	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	175.3	172.2	0	0	0	0	0	115.1	V950 L1081	V950-G1079 PolarHBondContact N-O 2.92Å; V950-G1079 PolarHBondContact O-N 3.45Å; G1079-L1081 PolarHBondContact O-N 2.91Å
1080	T	96.1	Very high	91.1	Very high	52 Å²	52	32.7 Å²	32.7	32%	0.319	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	103.7	179.9	-51.3	0	0	0	0	110.8	D947 F1097 R1098	D947-T1080 HydrophobicContact CB-CG2 3.81Å; T1080-F1097 VanDerWaalsContact O-CA 3.29Å; T1080-F1097 WeakPolarHBondContact O-CA 3.21Å; T1080-R1098 PolarHBondContact O-N 3.21Å
1081	L	95.9	Very high	91.1	Very high	28 Å²	28	32.7 Å²	32.7	15%	0.147	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	111.5	176	-179.7	68.3	0	0	0	109.8	D947 L948 V950 G1079 Y1095 F1097	D947-L1081 CarbonylContact C-O 3.28Å; D947-L1081 WeakPolarHBondContact CA-O 3.33Å; L948-L1081 PolarHBondContact N-O 2.86Å; L948-L1081 PolarHBondContact O-N 3.22Å; V950-L1081 HydrophobicContact CG2-CB 3.92Å; V950-L1081 HydrophobicContact CG2-CD2 4.07Å; G1079-L1081 PolarHBondContact O-N 2.91Å; L1081-Y1095 HydrophobicContact CD1-CD2 4.21Å; L1081-F1097 HydrophobicContact CB-CD1 4.3Å; L1081-F1097 HydrophobicContact CB-CE1 4.2Å; L1081-F1097 HydrophobicContact CD1-CD2 4.33Å; L1081-F1097 HydrophobicContact CD1-CE2 4.28Å; L1081-F1097 HydrophobicContact CD1-CG 4.46Å; L1081-F1097 HydrophobicContact CD1-CZ 4.38Å
1082	A	95.7	Very high	91	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.1	170.1	0	0	0	0	0	110.5	W945 D947 Y1095 G1096 R1098 M1139	W945-A1082 HydrophobicContact CE3-CB 4.44Å; W945-A1082 HydrophobicContact CZ3-CB 4.17Å; D947-A1082 WeakPolarHBondContact OD1-CA 3.18Å; D947-A1082 WeakPolarHBondContact OD1-CB 3.46Å; A1082-Y1095 WeakPolarHBondContact O-CA 3.45Å; A1082-G1096 WeakPolarHBondContact CA-O 3.47Å; A1082-G1096 WeakPolarHBondContact CB-O 3.29Å; A1082-G1096 PolarHBondContact N-O 3.49Å; A1082-G1096 PolarHBondContact O-N 2.83Å; A1082-R1098 HydrophobicContact CB-CG 3.81Å; A1082-M1139 HydrophobicContact CB-SD 3.95Å
1083	V	95.4	Very high	91.1	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.8	174.5	-173.9	0	0	0	0	108.5	W945 F946 L948 I1093 W1094	W945-V1083 WeakPolarHBondContact CA-O 3.05Å; F946-V1083 HydrophobicContact CD2-CB 4.05Å; F946-V1083 HydrophobicContact CD2-CG2 4.33Å; F946-V1083 HydrophobicContact CE1-CB 4.17Å; F946-V1083 HydrophobicContact CE1-CG1 3.99Å; F946-V1083 HydrophobicContact CE2-CB 3.65Å; F946-V1083 HydrophobicContact CE2-CG1 3.95Å; F946-V1083 HydrophobicContact CE2-CG2 3.84Å; F946-V1083 HydrophobicContact CG-CB 4.47Å; F946-V1083 HydrophobicContact CZ-CB 3.73Å; F946-V1083 HydrophobicContact CZ-CG1 3.53Å; F946-V1083 HydrophobicContact CZ-CG2 4.3Å; F946-V1083 PolarHBondContact N-O 2.93Å; F946-V1083 PolarHBondContact O-N 2.95Å; L948-V1083 HydrophobicContact CD1-CG2 4.24Å; V1083-I1093 HydrophobicContact CG1-CG2 3.38Å; V1083-W1094 WeakPolarHBondContact CA-O 3.48Å
1084	N	94.4	Very high	91.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.3	177.2	172	-123.5	0	0	0	111	R734 Q942 L944 W945 W1094 M1142	R734-N1084 VanDerWaalsContact CZ-OD1 3.26Å; R734-N1084 PolarHBondContact NE-OD1 3.31Å; R734-N1084 PolarHBondContact NH2-OD1 2.86Å; Q942-N1084 PolarHBondContact O-ND2 3.45Å; L944-N1084 CarbonylContact O-C 3.53Å; L944-N1084 VanDerWaalsContact O-CA 3.3Å; L944-N1084 WeakPolarHBondContact O-CA 3.5Å; L944-N1084 PolarHBondContact O-ND2 2.82Å; W945-N1084 HydrophobicContact CD2-CB 3.92Å; W945-N1084 HydrophobicContact CE3-CB 3.7Å; W945-N1084 HydrophobicContact CH2-CB 4.11Å; W945-N1084 HydrophobicContact CZ2-CB 4.32Å; W945-N1084 HydrophobicContact CZ3-CB 3.78Å; N1084-W1094 HydrophobicContact CB-CB 4.45Å; N1084-W1094 PolarHBondContact N-O 2.68Å; N1084-W1094 PolarHBondContact O-N 3.43Å; N1084-M1142 HydrophobicContact CB-CE 4.4Å
1085	I	93	Very high	91.2	Very high	39 Å²	39	33.6 Å²	33.6	20%	0.2	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	103.2	170.6	-44.8	-169.5	0	0	0	106.4	G943 L944 F946 I1093 M1150	G943-I1085 CarbonylContact C-O 3.59Å; G943-I1085 WeakPolarHBondContact CA-O 3.43Å; L944-I1085 HydrophobicContact CB-CB 4.32Å; L944-I1085 HydrophobicContact CD2-CD1 4.25Å; L944-I1085 PolarHBondContact N-O 2.86Å; L944-I1085 PolarHBondContact O-N 2.85Å; F946-I1085 HydrophobicContact CE1-CD1 4.48Å; I1085-I1093 HydrophobicContact CD1-CD1 3.69Å; I1085-I1093 HydrophobicContact CD1-CG1 4.01Å; I1085-I1093 HydrophobicContact CG1-CD1 4.12Å; I1085-I1093 HydrophobicContact CG1-CG1 3.96Å; I1085-I1093 HydrophobicContact CG1-CG2 4.3Å; I1085-I1093 HydrophobicContact CG2-CG1 4.48Å; I1085-M1150 HydrophobicContact CG2-CE 3.78Å
1086	P	90.9	Very high	91.4	Very high	7 Å²	7	31.4 Å²	31.4	5%	0.045	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-59.1	160.7	-177.2	-20.8	30	0	0	0	112.7	Q942 T1090	Q942-P1086 WeakPolarHBondContact O-CA 3.2Å; P1086-T1090 HydrophobicContact CB-CG2 3.9Å; P1086-T1090 HydrophobicContact CG-CG2 4.26Å; P1086-T1090 VanDerWaalsContact O-CG2 3.25Å; P1086-T1090 WeakPolarHBondContact O-CG2 3.41Å
1087	P	86.9	Confident	91.6	Very high	38 Å²	38	29.9 Å²	29.9	25%	0.247	16%	0.163	C	C	.	.	S	Bend	trans	-63.8	146.6	178.4	28.9	-34.7	0	0	0	110.3
1088	P	81.5	Confident	91.5	Very high	116 Å²	116	33.8 Å²	33.8	75%	0.753	18%	0.175	S	C	*	.	S	Bend	trans	-63	148.7	178.4	27.6	-34.9	0	0	0	111.1
1089	P	78.4	Confident	91.4	Very high	60 Å²	60	30.6 Å²	30.6	39%	0.39	17%	0.172	S	C	.	.	S	Bend	cis	-89.9	111.9	3.1	32.3	-31	0	0	0	113.6	H1151 A1153	P1089-H1151 CarbonylContact C-O 3.26Å; P1089-H1151 VanDerWaalsContact C-O 3.28Å; P1089-H1151 WeakPolarHBondContact CA-O 3.15Å; P1089-H1151 WeakPolarHBondContact CB-O 3.34Å; P1089-A1153 HydrophobicContact CG-CB 3.94Å; P1089-A1153 WeakPolarHBondContact O-CB 3.44Å; P1089-A1153 PolarHBondContact O-N 3.11Å; P1089-A1153 VanDerWaalsContact O-N 3.11Å
1090	T	84.1	Confident	91.3	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.031	18%	0.182	C	C	.	.			trans	-134.1	154	167.7	-176.7	0	0	0	0	109.3	E737 P1086 R1092 M1150 H1151	E737-T1090 WeakPolarHBondContact OE1-CB 3.25Å; E737-T1090 PolarHBondContact OE1-OG1 2.92Å; P1086-T1090 HydrophobicContact CB-CG2 3.9Å; P1086-T1090 HydrophobicContact CG-CG2 4.26Å; P1086-T1090 VanDerWaalsContact O-CG2 3.25Å; P1086-T1090 WeakPolarHBondContact O-CG2 3.41Å; T1090-R1092 PolarHBondContact OG1-N 3.05Å; T1090-M1150 HydrophobicContact CG2-CE 4.02Å; T1090-M1150 WeakPolarHBondContact O-CB 3.33Å; T1090-M1150 WeakPolarHBondContact O-CE 3.32Å; T1090-H1151 CarbonylContact C-O 3.58Å; T1090-H1151 VanDerWaalsContact C-O 3.31Å; T1090-H1151 PolarHBondContact N-O 3.32Å; T1090-H1151 VanDerWaalsContact N-O 3.1Å; T1090-H1151 VanDerWaalsContact O-O 3.11Å
1091	D	86.5	Confident	91.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.17	C	C	.	.			trans	-111.1	23.6	176.7	63.7	-28.6	0	0	0	113.8	W1146 L1147 M1150 S1152	D1091-W1146 VanDerWaalsContact O-CD1 3.31Å; D1091-W1146 PolarHBondContact OD2-NE1 3.12Å; D1091-L1147 PolarHBondContact O-N 3.14Å; D1091-M1150 HydrophobicContact CB-CB 4.4Å; D1091-M1150 WeakPolarHBondContact CB-O 3.32Å; D1091-S1152 VanDerWaalsContact CG-OG 3.29Å; D1091-S1152 WeakPolarHBondContact OD1-CB 3.26Å; D1091-S1152 PolarHBondContact OD1-OG 2.92Å
1092	R	89.4	Confident	91	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.6	-167.5	-56.9	-178.2	-161.3	-134	-1.6	115.6	R653 K654 W657 T1090 D1144 I1145	R653-R1092 PolarHBondContact O-NH2 3.16Å; K654-R1092 PolarHBondContact O-NH1 3.13Å; W657-R1092 VanDerWaalsContact CD1-CZ 3.44Å; W657-R1092 VanDerWaalsContact CD1-NE 3.29Å; T1090-R1092 PolarHBondContact OG1-N 3.05Å; R1092-D1144 WeakPolarHBondContact CD-OD2 3.36Å; R1092-D1144 IonicContact CZ-OD2 2.9Å; R1092-D1144 IonicContact NE-OD2 2.7Å; R1092-D1144 IonicContact NH1-OD2 3.62Å; R1092-D1144 PolarHBondContact NH1-OD2 3.11Å; R1092-I1145 VanDerWaalsContact CA-O 3.29Å; R1092-I1145 WeakPolarHBondContact CA-O 3.07Å
1093	I	92.3	Very high	90.8	Very high	34 Å²	34	36 Å²	36	17%	0.174	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.4	162.3	-58.9	-170.2	0	0	0	108.1	V1083 I1085 I1145 L1147	V1083-I1093 HydrophobicContact CG1-CG2 3.38Å; I1085-I1093 HydrophobicContact CD1-CD1 3.69Å; I1085-I1093 HydrophobicContact CD1-CG1 4.01Å; I1085-I1093 HydrophobicContact CG1-CD1 4.12Å; I1085-I1093 HydrophobicContact CG1-CG1 3.96Å; I1085-I1093 HydrophobicContact CG1-CG2 4.3Å; I1085-I1093 HydrophobicContact CG2-CG1 4.48Å; I1093-I1145 PolarHBondContact N-O 2.9Å; I1093-I1145 PolarHBondContact O-N 2.81Å; I1093-L1147 HydrophobicContact CD1-CD1 3.53Å; I1093-L1147 HydrophobicContact CD1-CG 4.5Å; I1093-L1147 HydrophobicContact CG1-CD1 3.8Å; I1093-L1147 HydrophobicContact CG1-CG 4.42Å
1094	W	93.4	Very high	90.7	Very high	4 Å²	4	39 Å²	39	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.2	171.9	-67.1	90.5	0	0	0	110.1	W657 R734 E737 V1083 N1084 M1142 D1143 D1144	W657-W1094 HydrophobicContact CB-CH2 4.15Å; W657-W1094 HydrophobicContact CB-CZ2 4.17Å; W657-W1094 AromaticContact CD1-CZ2 3.97Å; W657-W1094 HydrophobicContact CG-CZ2 4.32Å; R734-W1094 HydrophobicContact CB-CD2 3.91Å; R734-W1094 HydrophobicContact CB-CE3 3.99Å; R734-W1094 HydrophobicContact CB-CG 4.45Å; R734-W1094 HydrophobicContact CB-CH2 4.4Å; R734-W1094 HydrophobicContact CB-CZ2 4.3Å; R734-W1094 HydrophobicContact CB-CZ3 4.24Å; R734-W1094 HydrophobicContact CG-CD2 4.14Å; R734-W1094 HydrophobicContact CG-CG 4.18Å; E737-W1094 HydrophobicContact CB-CZ2 4.5Å; E737-W1094 PolarHBondContact OE2-NE1 3.45Å; V1083-W1094 WeakPolarHBondContact CA-O 3.48Å; N1084-W1094 HydrophobicContact CB-CB 4.45Å; N1084-W1094 PolarHBondContact N-O 2.68Å; N1084-W1094 PolarHBondContact O-N 3.43Å; W1094-M1142 HydrophobicContact CB-CB 4.39Å; W1094-M1142 HydrophobicContact CB-CE 4.04Å; W1094-M1142 HydrophobicContact CB-SD 4.41Å; W1094-M1142 HydrophobicContact CE3-CB 4.05Å; W1094-D1143 WeakPolarHBondContact CA-O 3.45Å; W1094-D1144 HydrophobicContact CD2-CB 4.05Å; W1094-D1144 HydrophobicContact CE3-CB 3.81Å; W1094-D1144 HydrophobicContact CH2-CB 4.01Å; W1094-D1144 HydrophobicContact CZ2-CB 4.25Å; W1094-D1144 HydrophobicContact CZ3-CB 3.79Å
1095	Y	94.4	Very high	90.5	Very high	59 Å²	59	40.3 Å²	40.3	23%	0.231	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.3	177.1	70.7	-75.1	0	0	0	112.2	L1081 A1082 F1137 M1142 D1143 I1145	L1081-Y1095 HydrophobicContact CD1-CD2 4.21Å; A1082-Y1095 WeakPolarHBondContact O-CA 3.45Å; Y1095-F1137 HydrophobicContact CE2-CD1 4.34Å; Y1095-F1137 HydrophobicContact CE2-CE1 4.13Å; Y1095-M1142 WeakPolarHBondContact O-CA 3.34Å; Y1095-M1142 WeakPolarHBondContact O-CB 3.41Å; Y1095-D1143 HydrophobicContact CD1-CB 4.41Å; Y1095-D1143 WeakPolarHBondContact CD1-O 3.46Å; Y1095-D1143 HydrophobicContact CE1-CB 3.76Å; Y1095-D1143 HydrophobicContact CE2-CB 4.49Å; Y1095-D1143 PolarHBondContact N-O 2.85Å; Y1095-D1143 PolarHBondContact O-N 3.24Å; Y1095-D1143 PolarHBondContact OH-OD2 3.47Å; Y1095-D1143 VanDerWaalsContact OH-OD2 3.12Å; Y1095-I1145 HydrophobicContact CD1-CD1 4.06Å; Y1095-I1145 HydrophobicContact CD1-CG1 3.88Å; Y1095-I1145 HydrophobicContact CE1-CD1 3.93Å; Y1095-I1145 HydrophobicContact CE1-CG1 3.58Å
1096	G	94.9	Very high	90.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	153.7	178	0	0	0	0	0	112.3	A1082 F1137	A1082-G1096 WeakPolarHBondContact CA-O 3.47Å; A1082-G1096 WeakPolarHBondContact CB-O 3.29Å; A1082-G1096 PolarHBondContact N-O 3.49Å; A1082-G1096 PolarHBondContact O-N 2.83Å; G1096-F1137 CarbonylContact C-O 3.6Å; G1096-F1137 WeakPolarHBondContact CA-O 3.21Å
1097	F	95.4	Very high	90.3	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.088	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.7	-179.6	-63.8	-91.5	0	0	0	111	T1080 L1081 S1099 P1101 F1133 F1137 V1138 M1139	T1080-F1097 VanDerWaalsContact O-CA 3.29Å; T1080-F1097 WeakPolarHBondContact O-CA 3.21Å; L1081-F1097 HydrophobicContact CB-CD1 4.3Å; L1081-F1097 HydrophobicContact CB-CE1 4.2Å; L1081-F1097 HydrophobicContact CD1-CD2 4.33Å; L1081-F1097 HydrophobicContact CD1-CE2 4.28Å; L1081-F1097 HydrophobicContact CD1-CG 4.46Å; L1081-F1097 HydrophobicContact CD1-CZ 4.38Å; F1097-S1099 VanDerWaalsContact C-N 3.34Å; F1097-S1099 WeakPolarHBondContact CB-O 3.28Å; F1097-P1101 HydrophobicContact CD1-CB 3.98Å; F1097-P1101 HydrophobicContact CD1-CG 4.17Å; F1097-P1101 HydrophobicContact CD2-CG 4.13Å; F1097-P1101 HydrophobicContact CE1-CB 4.06Å; F1097-P1101 HydrophobicContact CE1-CG 4.32Å; F1097-P1101 HydrophobicContact CE2-CG 4.3Å; F1097-P1101 HydrophobicContact CG-CB 4.36Å; F1097-P1101 HydrophobicContact CG-CG 4.07Å; F1097-P1101 HydrophobicContact CZ-CG 4.39Å; F1097-F1133 HydrophobicContact CD2-CE1 4.21Å; F1097-F1133 HydrophobicContact CD2-CZ 4.48Å; F1097-F1133 AromaticContact CE2-CE1 3.97Å; F1097-F1133 HydrophobicContact CE2-CE1 3.97Å; F1097-F1133 AromaticContact CE2-CZ 3.81Å; F1097-F1133 HydrophobicContact CE2-CZ 3.81Å; F1097-F1137 HydrophobicContact CD2-CB 4.21Å; F1097-F1137 PolarHBondContact N-O 2.8Å; F1097-V1138 HydrophobicContact CB-CG2 4.38Å; F1097-V1138 WeakPolarHBondContact O-CA 3.5Å; F1097-M1139 WeakPolarHBondContact O-CG 3.29Å; F1097-M1139 PolarHBondContact O-N 2.97Å
1098	R	93	Very high	90.3	Very high	99 Å²	99	46.1 Å²	46.1	37%	0.374	23%	0.232	S	C	.	.	S	Bend	trans	-66.7	-37.4	178	-68.3	-157.8	178.8	-91.2	-7.5	112.8	H622 D947 T1080 A1082 M1139	H622-R1098 PolarHBondContact CE1-O 3.1Å; D947-R1098 IonicContact OD1-CZ 2.87Å; D947-R1098 VanDerWaalsContact OD1-CZ 3.23Å; D947-R1098 IonicContact OD1-NE 3.68Å; D947-R1098 PolarHBondContact OD1-NE 3.05Å; D947-R1098 IonicContact OD1-NH2 3.77Å; D947-R1098 PolarHBondContact OD1-NH2 3Å; D947-R1098 IonicContact OD2-CZ 2.71Å; D947-R1098 IonicContact OD2-NE 2.85Å; D947-R1098 PolarHBondContact OD2-NE 2.9Å; D947-R1098 IonicContact OD2-NH2 3.92Å; D947-R1098 PolarHBondContact OD2-NH2 2.98Å; T1080-R1098 PolarHBondContact O-N 3.21Å; A1082-R1098 HydrophobicContact CB-CG 3.81Å; R1098-M1139 HydrophobicContact CB-SD 4.45Å; R1098-M1139 HydrophobicContact CG-SD 3.92Å
1099	S	92.4	Very high	90.4	Very high	54 Å²	54	42.5 Å²	42.5	38%	0.378	21%	0.209	S	C	.	.	S	Bend	trans	-124.8	168.5	176.6	62.4	0	0	0	0	109.5	F1097 P1101	F1097-S1099 VanDerWaalsContact C-N 3.34Å; F1097-S1099 WeakPolarHBondContact CB-O 3.28Å; S1099-P1101 WeakPolarHBondContact O-CD 3.23Å
1100	P	92.6	Very high	90.1	Very high	51 Å²	51	43.4 Å²	43.4	33%	0.331	21%	0.207	S	C	.	.			trans	-60.5	126.4	169.9	-19.1	34.5	0	0	0	108.9	H622 Q1134 V1138	H622-P1100 WeakPolarHBondContact NE2-CD 3.4Å; P1100-Q1134 HydrophobicContact CB-CG 4.33Å; P1100-V1138 HydrophobicContact CG-CG1 4.5Å
1101	P	93.4	Very high	88.9	Confident	11 Å²	11	48.1 Å²	48.1	7%	0.071	23%	0.231	C	C	.	.			trans	-73.6	158.1	175.8	29	-32.3	0	0	0	111	R1078 F1097 S1099 L1103 F1133	R1078-P1101 CarbonylContact O-C 3.6Å; R1078-P1101 WeakPolarHBondContact O-CA 3.17Å; R1078-P1101 WeakPolarHBondContact O-CB 3.26Å; F1097-P1101 HydrophobicContact CD1-CB 3.98Å; F1097-P1101 HydrophobicContact CD1-CG 4.17Å; F1097-P1101 HydrophobicContact CD2-CG 4.13Å; F1097-P1101 HydrophobicContact CE1-CB 4.06Å; F1097-P1101 HydrophobicContact CE1-CG 4.32Å; F1097-P1101 HydrophobicContact CE2-CG 4.3Å; F1097-P1101 HydrophobicContact CG-CB 4.36Å; F1097-P1101 HydrophobicContact CG-CG 4.07Å; F1097-P1101 HydrophobicContact CZ-CG 4.39Å; S1099-P1101 WeakPolarHBondContact O-CD 3.23Å; P1101-L1103 PolarHBondContact O-N 3.34Å; P1101-L1103 VanDerWaalsContact O-N 3.16Å; P1101-F1133 HydrophobicContact CG-CD1 4.43Å; P1101-F1133 HydrophobicContact CG-CE1 3.72Å
1102	H	93.4	Very high	87.5	Confident	116 Å²	116	50.9 Å²	50.9	54%	0.537	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	105.1	166.7	-176.1	-100	0	0	0	108.5	E1076 C1077 R1078	E1076-H1102 IonicContact OE2-ND1 3.92Å; C1077-H1102 CarbonylContact C-O 3.6Å; C1077-H1102 VanDerWaalsContact CA-O 3.27Å; C1077-H1102 WeakPolarHBondContact CA-O 3.08Å; R1078-H1102 PolarHBondContact N-O 2.78Å; R1078-H1102 PolarHBondContact O-N 3.11Å
1103	L	92	Very high	85.6	Confident	26 Å²	26	60.4 Å²	60.4	14%	0.136	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	103.9	-173.7	174.7	61.6	0	0	0	109.8	V1074 E1076 C1077 P1101 L1105 F1133	V1074-L1103 HydrophobicContact CG1-CD1 4.01Å; E1076-L1103 WeakPolarHBondContact O-CA 3.35Å; C1077-L1103 HydrophobicContact CB-CD1 3.87Å; P1101-L1103 PolarHBondContact O-N 3.34Å; P1101-L1103 VanDerWaalsContact O-N 3.16Å; L1103-L1105 HydrophobicContact CD1-CD2 4.05Å; L1103-L1105 HydrophobicContact CD1-CG 4.31Å; L1103-L1105 HydrophobicContact CD2-CD1 4.28Å; L1103-L1105 HydrophobicContact CD2-CG 4.37Å; L1103-L1105 HydrophobicContact CG-CD1 4.46Å; L1103-L1105 HydrophobicContact CG-CD2 4.31Å; L1103-L1105 HydrophobicContact CG-CG 4.03Å; L1103-L1105 PolarHBondContact O-N 3.41Å; L1103-F1133 HydrophobicContact CD2-CB 3.95Å; L1103-F1133 HydrophobicContact CD2-CD1 3.83Å; L1103-F1133 HydrophobicContact CD2-CD2 4.03Å; L1103-F1133 HydrophobicContact CD2-CE1 4.36Å; L1103-F1133 HydrophobicContact CD2-CG 3.66Å
1104	E	91.8	Very high	83.8	Confident	77 Å²	77	65.8 Å²	65.8	36%	0.36	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	103.2	176.5	-172.3	171.2	-169.7	0	0	110.4	Q1075 E1076 K1106	Q1075-E1104 HydrophobicContact CB-CB 4.3Å; Q1075-E1104 HydrophobicContact CB-CG 4.19Å; Q1075-E1104 PolarHBondContact N-O 2.84Å; Q1075-E1104 PolarHBondContact OE1-OE1 3.46Å; E1076-E1104 PolarHBondContact O-N 3.15Å; E1104-K1106 IonicContact OE1-NZ 2.66Å
1105	L	90.6	Very high	81.7	Confident	28 Å²	28	73.7 Å²	73.7	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.3	171.3	-61.9	178.2	0	0	0	109.8	E1073 V1074 L1103 L1129 D1130	E1073-L1105 WeakPolarHBondContact O-CA 3.47Å; V1074-L1105 HydrophobicContact CB-CD2 4.24Å; V1074-L1105 HydrophobicContact CG1-CD2 4.13Å; V1074-L1105 HydrophobicContact CG2-CD2 3.74Å; L1103-L1105 HydrophobicContact CD1-CD2 4.05Å; L1103-L1105 HydrophobicContact CD1-CG 4.31Å; L1103-L1105 HydrophobicContact CD2-CD1 4.28Å; L1103-L1105 HydrophobicContact CD2-CG 4.37Å; L1103-L1105 HydrophobicContact CG-CD1 4.46Å; L1103-L1105 HydrophobicContact CG-CD2 4.31Å; L1103-L1105 HydrophobicContact CG-CG 4.03Å; L1103-L1105 PolarHBondContact O-N 3.41Å; L1105-L1129 HydrophobicContact CD1-CB 3.58Å; L1105-D1130 HydrophobicContact CD1-CB 4.39Å
1106	K	90.4	Very high	79.8	Confident	80 Å²	80	74.5 Å²	74.5	35%	0.348	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	110.8	178.6	-157.3	169.8	-148.5	122.4	0	111.8	V1072 E1073 Q1075 E1104 R1108 E1126	V1072-K1106 WeakPolarHBondContact CA-O 3.16Å; E1073-K1106 PolarHBondContact N-O 3.41Å; E1073-K1106 PolarHBondContact O-N 2.96Å; Q1075-K1106 HydrophobicContact CG-CB 4.44Å; Q1075-K1106 VanDerWaalsContact NE2-CD 3.35Å; E1104-K1106 IonicContact OE1-NZ 2.66Å; K1106-R1108 HydrophobicContact CG-CG 4.4Å; K1106-E1126 WeakPolarHBondContact CA-OE1 3.43Å
1107	A	89.1	Confident	78	Confident	7 Å²	7	78.8 Å²	78.8	6%	0.058	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.2	175.6	0	0	0	0	0	109.9	T1071 V1072 T1122 I1125 E1126	T1071-A1107 CarbonylContact O-C 3.52Å; T1071-A1107 WeakPolarHBondContact O-CA 3.18Å; V1072-A1107 HydrophobicContact CG2-CB 4.01Å; A1107-T1122 HydrophobicContact CB-CG2 3.81Å; A1107-T1122 VanDerWaalsContact O-CB 3.27Å; A1107-T1122 WeakPolarHBondContact O-CB 3.36Å; A1107-T1122 VanDerWaalsContact O-CG2 3.23Å; A1107-T1122 WeakPolarHBondContact O-CG2 3.42Å; A1107-I1125 HydrophobicContact CB-CG2 4.48Å; A1107-E1126 HydrophobicContact CB-CG 3.75Å; A1107-E1126 PolarHBondContact N-OE1 3.19Å
1108	R	86.8	Confident	76.8	Confident	118 Å²	118	78.9 Å²	78.9	45%	0.445	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.2	178.3	-43.3	-172.7	-160.6	-160.7	10.1	109.2	L1070 T1071 E1073 K1106	L1070-R1108 CarbonylContact C-O 3.5Å; T1071-R1108 PolarHBondContact N-O 3.26Å; T1071-R1108 PolarHBondContact O-N 2.97Å; T1071-R1108 PolarHBondContact OG1-O 3.37Å; E1073-R1108 IonicContact OE1-NH2 3.57Å; E1073-R1108 IonicContact OE2-CZ 3.97Å; E1073-R1108 IonicContact OE2-NE 3.17Å; E1073-R1108 PolarHBondContact OE2-NE 3.49Å; E1073-R1108 IonicContact OE2-NH2 3.97Å; E1073-R1108 PolarHBondContact OE2-NH2 2.88Å; K1106-R1108 HydrophobicContact CG-CG 4.4Å
1109	P	83.4	Confident	75.9	Confident	40 Å²	40	78 Å²	78	26%	0.26	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.6	173.5	29	-33.1	0	0	0	111.1	L1070 L1111 L1118	L1070-P1109 HydrophobicContact CD2-CB 3.89Å; P1109-L1111 HydrophobicContact CB-CG 4.4Å; P1109-L1111 HydrophobicContact CG-CD1 4.05Å; P1109-L1111 HydrophobicContact CG-CG 4.1Å; P1109-L1111 PolarHBondContact O-N 2.81Å; P1109-L1118 HydrophobicContact CB-CD1 4.17Å
1110	K	73.4	Confident	75	Confident	79 Å²	79	78.5 Å²	78.5	34%	0.343	40%	0.4	S	S	.	.			trans	-72.4	84.7	164.8	-94.4	176.8	166.1	166	0	108.2	E921 T959 L1069 T1071 G1112	E921-K1110 IonicContact OE1-NZ 3.98Å; E921-K1110 PolarHBondContact OE1-NZ 3.42Å; E921-K1110 IonicContact OE2-NZ 3.33Å; E921-K1110 PolarHBondContact OE2-NZ 3.44Å; T959-K1110 HydrophobicContact CG2-CD 3.81Å; T959-K1110 PolarHBondContact OG1-NZ 2.89Å; L1069-K1110 HydrophobicContact CB-CB 3.86Å; L1069-K1110 HydrophobicContact CB-CD 4.23Å; L1069-K1110 HydrophobicContact CD2-CD 4.32Å; L1069-K1110 PolarHBondContact O-N 3.41Å; T1071-K1110 HydrophobicContact CG2-CD 3.97Å; T1071-K1110 HydrophobicContact CG2-CG 3.96Å; K1110-G1112 PolarHBondContact O-N 3.02Å
1111	L	58.2	Low	74.3	Confident	104 Å²	104	77.3 Å²	77.3	55%	0.545	39%	0.392	S	S	.	.			trans	-65.2	125.6	-176.1	-80.6	141.9	0	0	0	112.4	P1109 E1115	P1109-L1111 HydrophobicContact CB-CG 4.4Å; P1109-L1111 HydrophobicContact CG-CD1 4.05Å; P1109-L1111 HydrophobicContact CG-CG 4.1Å; P1109-L1111 PolarHBondContact O-N 2.81Å; L1111-E1115 HydrophobicContact CD2-CB 4.4Å; L1111-E1115 HydrophobicContact CD2-CG 4.02Å
1112	G	58	Low	73.8	Confident	59 Å²	59	77.4 Å²	77.4	61%	0.608	39%	0.392	S	S	*	.			trans	-97.7	-162.6	150.2	0	0	0	0	0	110.4	K1110 R1114	K1110-G1112 PolarHBondContact O-N 3.02Å; G1112-R1114 PolarHBondContact O-N 2.8Å
1113	E	48.7	Very low	73.4	Confident	203 Å²	203	75.9 Å²	75.9	95%	0.949	39%	0.385	S	S	*	.	S	Bend	trans	-62	12.7	-173.5	-53.7	178.7	152	0	0	117
1114	R	53.8	Low	73	Confident	147 Å²	147	77.2 Å²	77.2	56%	0.555	39%	0.389	S	S	*	.			trans	-132.8	90.7	-173.9	-65.4	-177.9	179.2	-161.8	-4.5	111	E1062 G1112 V1116	E1062-R1114 IonicContact OE1-CZ 2.75Å; E1062-R1114 VanDerWaalsContact OE1-CZ 3.24Å; E1062-R1114 IonicContact OE1-NH1 3.52Å; E1062-R1114 PolarHBondContact OE1-NH1 2.79Å; E1062-R1114 IonicContact OE1-NH2 3.57Å; E1062-R1114 PolarHBondContact OE1-NH2 2.95Å; G1112-R1114 PolarHBondContact O-N 2.8Å; R1114-V1116 PolarHBondContact O-N 2.91Å
1115	E	50.3	Low	72.7	Confident	169 Å²	169	73.6 Å²	73.6	79%	0.79	37%	0.372	S	S	*	.			trans	-72.3	74.5	174.3	-53.3	-158.8	134.6	0	0	111.5	L1111	L1111-E1115 HydrophobicContact CD2-CB 4.4Å; L1111-E1115 HydrophobicContact CD2-CG 4.02Å
1116	V	54.4	Low	72.6	Confident	77 Å²	77	74.5 Å²	74.5	47%	0.467	38%	0.375	S	S	.	.			trans	-79.2	130.1	164.5	-175.7	0	0	0	0	107.7	R1114 L1118	R1114-V1116 PolarHBondContact O-N 2.91Å; V1116-L1118 VanDerWaalsContact C-N 3.29Å; V1116-L1118 HydrophobicContact CG1-CD2 4.45Å; V1116-L1118 WeakPolarHBondContact O-CG 3.29Å; V1116-L1118 PolarHBondContact O-N 2.85Å
1117	T	58	Low	72.5	Confident	89 Å²	89	76.6 Å²	76.6	55%	0.546	38%	0.384	S	S	.	.			trans	-73.4	76.9	-174.8	52.2	0	0	0	0	112.1	V1119	T1117-V1119 PolarHBondContact O-N 3.23Å
1118	L	69.8	Low	72.4	Confident	22 Å²	22	77.5 Å²	77.5	12%	0.115	39%	0.387	C	S	.	.			trans	-77.3	11.4	-177.2	-67.4	169.5	0	0	0	114.5	L964 L1068 L1070 P1109 V1116 H1120 V1121 T1122	L964-L1118 HydrophobicContact CD1-CD2 4.17Å; L1068-L1118 HydrophobicContact CD1-CD1 3.81Å; L1068-L1118 HydrophobicContact CD1-CD2 3.54Å; L1068-L1118 HydrophobicContact CD1-CG 4.34Å; L1068-L1118 HydrophobicContact CD2-CD1 4.1Å; L1068-L1118 HydrophobicContact CG-CD1 4.45Å; L1070-L1118 HydrophobicContact CD2-CD1 4.37Å; P1109-L1118 HydrophobicContact CB-CD1 4.17Å; V1116-L1118 VanDerWaalsContact C-N 3.29Å; V1116-L1118 HydrophobicContact CG1-CD2 4.45Å; V1116-L1118 WeakPolarHBondContact O-CG 3.29Å; V1116-L1118 PolarHBondContact O-N 2.85Å; L1118-H1120 VanDerWaalsContact C-N 3.33Å; L1118-H1120 PolarHBondContact O-N 2.86Å; L1118-V1121 HydrophobicContact CD2-CG2 4.26Å; L1118-V1121 WeakPolarHBondContact O-CA 3.44Å; L1118-V1121 WeakPolarHBondContact O-CB 3.38Å; L1118-V1121 PolarHBondContact O-N 2.78Å; L1118-T1122 PolarHBondContact O-N 2.8Å; L1118-T1122 PolarHBondContact O-OG1 3.17Å
1119	V	73.9	Confident	72.3	Confident	80 Å²	80	73.3 Å²	73.3	49%	0.485	37%	0.373	S	S	.	.	H	α-helix	trans	-50.6	-48.4	-173.9	-173.7	0	0	0	0	112.3	T1117 V1121 T1122 E1123	T1117-V1119 PolarHBondContact O-N 3.23Å; V1119-V1121 PolarHBondContact O-N 2.82Å; V1119-T1122 WeakPolarHBondContact CA-OG1 3.42Å; V1119-T1122 PolarHBondContact O-N 2.61Å; V1119-T1122 PolarHBondContact O-OG1 3.18Å; V1119-E1123 HydrophobicContact CG1-CG 4.41Å; V1119-E1123 WeakPolarHBondContact CG1-OE1 3.47Å; V1119-E1123 WeakPolarHBondContact O-CB 3.25Å; V1119-E1123 WeakPolarHBondContact O-CG 3.45Å; V1119-E1123 PolarHBondContact O-N 2.87Å
1120	H	72.8	Confident	72.6	Confident	65 Å²	65	73.3 Å²	73.3	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-23.6	177.1	-56.6	115.7	0	0	0	114.5	I1034 L1118 E1123 W1124	I1034-H1120 HydrophobicContact CG2-CB 4.03Å; L1118-H1120 VanDerWaalsContact C-N 3.33Å; L1118-H1120 PolarHBondContact O-N 2.86Å; H1120-E1123 IonicContact CD2-OE2 3.5Å; H1120-W1124 VanDerWaalsContact O-CB 3.27Å; H1120-W1124 WeakPolarHBondContact O-CB 3.32Å; H1120-W1124 PolarHBondContact O-N 3.35Å
1121	V	77.4	Confident	73.2	Confident	27 Å²	27	71.9 Å²	71.9	16%	0.164	37%	0.366	C	S	.	.	H	α-helix	trans	-82.7	-39.2	176.7	-178.3	0	0	0	0	110	M914 L1070 L1118 V1119 W1124 I1125	M914-V1121 HydrophobicContact CE-CG1 4.05Å; M914-V1121 HydrophobicContact SD-CG1 4.02Å; L1070-V1121 HydrophobicContact CD1-CG1 4.15Å; L1118-V1121 HydrophobicContact CD2-CG2 4.26Å; L1118-V1121 WeakPolarHBondContact O-CA 3.44Å; L1118-V1121 WeakPolarHBondContact O-CB 3.38Å; L1118-V1121 PolarHBondContact O-N 2.78Å; V1119-V1121 PolarHBondContact O-N 2.82Å; V1121-W1124 PolarHBondContact O-N 2.89Å; V1121-I1125 HydrophobicContact CG1-CD1 4.24Å; V1121-I1125 VanDerWaalsContact O-CG1 3.32Å; V1121-I1125 WeakPolarHBondContact O-CG1 3.5Å; V1121-I1125 PolarHBondContact O-N 2.84Å
1122	T	83.4	Confident	74.6	Confident	13 Å²	13	68.5 Å²	68.5	8%	0.08	35%	0.347	C	S	.	.	H	α-helix	trans	-66.1	-48.5	174.4	43.3	0	0	0	0	111.4	L1070 A1107 L1118 V1119 W1124 I1125 E1126	L1070-T1122 HydrophobicContact CD2-CG2 4.35Å; A1107-T1122 HydrophobicContact CB-CG2 3.81Å; A1107-T1122 VanDerWaalsContact O-CB 3.27Å; A1107-T1122 WeakPolarHBondContact O-CB 3.36Å; A1107-T1122 VanDerWaalsContact O-CG2 3.23Å; A1107-T1122 WeakPolarHBondContact O-CG2 3.42Å; L1118-T1122 PolarHBondContact O-N 2.8Å; L1118-T1122 PolarHBondContact O-OG1 3.17Å; V1119-T1122 WeakPolarHBondContact CA-OG1 3.42Å; V1119-T1122 PolarHBondContact O-N 2.61Å; V1119-T1122 PolarHBondContact O-OG1 3.18Å; T1122-W1124 VanDerWaalsContact C-N 3.29Å; T1122-W1124 PolarHBondContact O-N 2.96Å; T1122-I1125 PolarHBondContact O-N 3.25Å; T1122-I1125 VanDerWaalsContact O-N 3.08Å; T1122-E1126 VanDerWaalsContact O-CG 3.31Å; T1122-E1126 WeakPolarHBondContact O-CG 3.39Å; T1122-E1126 PolarHBondContact O-N 2.85Å
1123	E	84.9	Confident	75.9	Confident	84 Å²	84	68.2 Å²	68.2	39%	0.393	33%	0.329	S	S	.	.	H	α-helix	trans	-55.5	-42.1	173.1	-72.4	171	-177.4	0	0	112.4	V1119 H1120 E1126 K1127	V1119-E1123 HydrophobicContact CG1-CG 4.41Å; V1119-E1123 WeakPolarHBondContact CG1-OE1 3.47Å; V1119-E1123 WeakPolarHBondContact O-CB 3.25Å; V1119-E1123 WeakPolarHBondContact O-CG 3.45Å; V1119-E1123 PolarHBondContact O-N 2.87Å; H1120-E1123 IonicContact CD2-OE2 3.5Å; E1123-E1126 WeakPolarHBondContact CA-OE2 3.42Å; E1123-K1127 WeakPolarHBondContact O-CB 3.31Å; E1123-K1127 PolarHBondContact O-N 3.27Å
1124	W	83.9	Confident	77.9	Confident	54 Å²	54	61.2 Å²	61.2	21%	0.205	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-41.3	177.7	179.4	84.3	0	0	0	111.6	I908 R909 L910 P911 M914 H1120 V1121 T1122 K1128	I908-W1124 HydrophobicContact CG2-CH2 4.25Å; R909-W1124 WeakPolarHBondContact O-CZ2 3.43Å; L910-W1124 HydrophobicContact CD2-CH2 4.12Å; L910-W1124 HydrophobicContact CD2-CZ3 4.19Å; P911-W1124 HydrophobicContact CG-CD2 3.74Å; P911-W1124 HydrophobicContact CG-CE3 4.02Å; P911-W1124 HydrophobicContact CG-CG 4.37Å; P911-W1124 HydrophobicContact CG-CH2 4.13Å; P911-W1124 HydrophobicContact CG-CZ2 3.78Å; P911-W1124 HydrophobicContact CG-CZ3 4.22Å; M914-W1124 HydrophobicContact CE-CE3 4.28Å; M914-W1124 HydrophobicContact CE-CZ3 4.07Å; M914-W1124 HydrophobicContact SD-CE3 3.91Å; M914-W1124 HydrophobicContact SD-CZ3 4.04Å; H1120-W1124 VanDerWaalsContact O-CB 3.27Å; H1120-W1124 WeakPolarHBondContact O-CB 3.32Å; H1120-W1124 PolarHBondContact O-N 3.35Å; V1121-W1124 PolarHBondContact O-N 2.89Å; T1122-W1124 VanDerWaalsContact C-N 3.29Å; T1122-W1124 PolarHBondContact O-N 2.96Å; W1124-K1128 HydrophobicContact CD2-CB 4.43Å; W1124-K1128 HydrophobicContact CH2-CB 4Å; W1124-K1128 HydrophobicContact CH2-CD 4.32Å; W1124-K1128 HydrophobicContact CH2-CG 3.71Å; W1124-K1128 HydrophobicContact CZ2-CB 3.87Å; W1124-K1128 HydrophobicContact CZ2-CD 3.71Å; W1124-K1128 HydrophobicContact CZ2-CG 3.58Å; W1124-K1128 HydrophobicContact CZ3-CB 4.39Å; W1124-K1128 WeakPolarHBondContact O-CB 3.42Å; W1124-K1128 PolarHBondContact O-N 3.15Å
1125	I	84.6	Confident	79.4	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-47.8	177.4	-71.2	171.3	0	0	0	111.1	M914 L917 L960 L1070 V1072 A1107 V1121 T1122 K1127 K1128 L1129	M914-I1125 HydrophobicContact CE-CD1 4.12Å; M914-I1125 HydrophobicContact CE-CG1 4.36Å; L917-I1125 HydrophobicContact CD2-CD1 4.33Å; L960-I1125 HydrophobicContact CD1-CG2 4.44Å; L1070-I1125 HydrophobicContact CD1-CD1 3.33Å; V1072-I1125 HydrophobicContact CG2-CG2 3.97Å; A1107-I1125 HydrophobicContact CB-CG2 4.48Å; V1121-I1125 HydrophobicContact CG1-CD1 4.24Å; V1121-I1125 VanDerWaalsContact O-CG1 3.32Å; V1121-I1125 WeakPolarHBondContact O-CG1 3.5Å; V1121-I1125 PolarHBondContact O-N 2.84Å; T1122-I1125 PolarHBondContact O-N 3.25Å; T1122-I1125 VanDerWaalsContact O-N 3.08Å; I1125-K1127 PolarHBondContact O-N 2.93Å; I1125-K1128 PolarHBondContact O-N 3.16Å; I1125-L1129 HydrophobicContact CG2-CD1 3.63Å; I1125-L1129 HydrophobicContact CG2-CG 4.16Å; I1125-L1129 WeakPolarHBondContact O-CB 3.27Å; I1125-L1129 VanDerWaalsContact O-CG 3.29Å; I1125-L1129 WeakPolarHBondContact O-CG 3.37Å; I1125-L1129 PolarHBondContact O-N 3.34Å
1126	E	88.9	Confident	81	Confident	47 Å²	47	53.2 Å²	53.2	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-53	-56.6	177.5	-69.7	162.6	173	0	0	110.3	K1106 A1107 T1122 E1123 K1128 L1129 D1130	K1106-E1126 WeakPolarHBondContact CA-OE1 3.43Å; A1107-E1126 HydrophobicContact CB-CG 3.75Å; A1107-E1126 PolarHBondContact N-OE1 3.19Å; T1122-E1126 VanDerWaalsContact O-CG 3.31Å; T1122-E1126 WeakPolarHBondContact O-CG 3.39Å; T1122-E1126 PolarHBondContact O-N 2.85Å; E1123-E1126 WeakPolarHBondContact CA-OE2 3.42Å; E1126-K1128 VanDerWaalsContact C-N 3.33Å; E1126-K1128 PolarHBondContact O-N 2.76Å; E1126-L1129 PolarHBondContact O-N 3.37Å; E1126-D1130 PolarHBondContact O-N 2.88Å
1127	K	88.3	Confident	82.7	Confident	124 Å²	124	51.6 Å²	51.6	54%	0.539	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-35.6	179	-175.4	164.3	-174	159.2	0	113	E1123 I1125 Q1131	E1123-K1127 WeakPolarHBondContact O-CB 3.31Å; E1123-K1127 PolarHBondContact O-N 3.27Å; I1125-K1127 PolarHBondContact O-N 2.93Å; K1127-Q1131 WeakPolarHBondContact O-CB 3.03Å; K1127-Q1131 VanDerWaalsContact O-CG 3.22Å; K1127-Q1131 WeakPolarHBondContact O-CG 3.45Å; K1127-Q1131 PolarHBondContact O-N 3.13Å; K1127-Q1131 VanDerWaalsContact O-N 3.1Å
1128	K	86.7	Confident	84.3	Confident	26 Å²	26	47.4 Å²	47.4	11%	0.113	23%	0.226	C	C	.	.	H	α-helix	trans	-72.3	-36.8	179.7	-169.1	73.7	-140.6	88.9	0	111.8	I908 W1124 I1125 E1126 E1132	I908-K1128 HydrophobicContact CG2-CD 4.16Å; I908-K1128 HydrophobicContact CG2-CG 3.46Å; I908-K1128 VanDerWaalsContact CG2-CG 3.46Å; W1124-K1128 HydrophobicContact CD2-CB 4.43Å; W1124-K1128 HydrophobicContact CH2-CB 4Å; W1124-K1128 HydrophobicContact CH2-CD 4.32Å; W1124-K1128 HydrophobicContact CH2-CG 3.71Å; W1124-K1128 HydrophobicContact CZ2-CB 3.87Å; W1124-K1128 HydrophobicContact CZ2-CD 3.71Å; W1124-K1128 HydrophobicContact CZ2-CG 3.58Å; W1124-K1128 HydrophobicContact CZ3-CB 4.39Å; W1124-K1128 WeakPolarHBondContact O-CB 3.42Å; W1124-K1128 PolarHBondContact O-N 3.15Å; I1125-K1128 PolarHBondContact O-N 3.16Å; E1126-K1128 VanDerWaalsContact C-N 3.33Å; E1126-K1128 PolarHBondContact O-N 2.76Å; K1128-E1132 WeakPolarHBondContact CE-OE1 3.49Å; K1128-E1132 IonicContact NZ-OE1 3.9Å; K1128-E1132 PolarHBondContact NZ-OE1 3.34Å; K1128-E1132 WeakPolarHBondContact O-CG 3.42Å; K1128-E1132 PolarHBondContact O-N 3.08Å; K1128-E1132 VanDerWaalsContact O-N 3.15Å
1129	L	86.2	Confident	85.3	Confident	29 Å²	29	48.2 Å²	48.2	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-69.4	-45.2	176.7	-72.6	174	0	0	0	111.5	L905 I908 V1072 L1105 I1125 E1126 Q1131 E1132 F1133	L905-L1129 HydrophobicContact CD2-CD2 3.84Å; I908-L1129 HydrophobicContact CD1-CD2 3.84Å; V1072-L1129 HydrophobicContact CG1-CD1 3.88Å; V1072-L1129 HydrophobicContact CG2-CD1 4.28Å; L1105-L1129 HydrophobicContact CD1-CB 3.58Å; I1125-L1129 HydrophobicContact CG2-CD1 3.63Å; I1125-L1129 HydrophobicContact CG2-CG 4.16Å; I1125-L1129 WeakPolarHBondContact O-CB 3.27Å; I1125-L1129 VanDerWaalsContact O-CG 3.29Å; I1125-L1129 WeakPolarHBondContact O-CG 3.37Å; I1125-L1129 PolarHBondContact O-N 3.34Å; E1126-L1129 PolarHBondContact O-N 3.37Å; L1129-Q1131 PolarHBondContact O-N 3.09Å; L1129-E1132 PolarHBondContact O-N 3.35Å; L1129-F1133 WeakPolarHBondContact O-CB 3.43Å; L1129-F1133 PolarHBondContact O-N 2.97Å
1130	D	88.7	Confident	86	Confident	41 Å²	41	46.7 Å²	46.7	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-53.5	-51.8	171.2	164.6	54.9	0	0	0	111.5	L1105 E1126 E1132 F1133 Q1134	L1105-D1130 HydrophobicContact CD1-CB 4.39Å; E1126-D1130 PolarHBondContact O-N 2.88Å; D1130-E1132 VanDerWaalsContact C-N 3.34Å; D1130-E1132 PolarHBondContact O-N 3.11Å; D1130-F1133 WeakPolarHBondContact O-CA 3.44Å; D1130-F1133 WeakPolarHBondContact O-CB 3.41Å; D1130-F1133 PolarHBondContact O-N 2.73Å; D1130-Q1134 WeakPolarHBondContact O-CG 3.28Å; D1130-Q1134 PolarHBondContact O-N 2.97Å; D1130-Q1134 PolarHBondContact OD1-NE2 2.89Å; D1130-Q1134 PolarHBondContact OD2-NE2 3.1Å
1131	Q	87.3	Confident	86.8	Confident	49 Å²	49	44.1 Å²	44.1	23%	0.229	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-41.4	177.5	-77.9	178.6	-7.2	0	0	114.1	H1029 K1127 L1129 K1135	H1029-Q1131 PolarHBondContact NE2-NE2 3.29Å; K1127-Q1131 WeakPolarHBondContact O-CB 3.03Å; K1127-Q1131 VanDerWaalsContact O-CG 3.22Å; K1127-Q1131 WeakPolarHBondContact O-CG 3.45Å; K1127-Q1131 PolarHBondContact O-N 3.13Å; K1127-Q1131 VanDerWaalsContact O-N 3.1Å; L1129-Q1131 PolarHBondContact O-N 3.09Å; Q1131-K1135 WeakPolarHBondContact O-CB 3.2Å; Q1131-K1135 PolarHBondContact O-N 2.82Å; Q1131-K1135 VanDerWaalsContact O-N 3.11Å
1132	E	85.7	Confident	87.5	Confident	33 Å²	33	43.6 Å²	43.6	15%	0.154	21%	0.206	C	C	.	.	H	α-helix	trans	-76.5	-26	177.9	-62.2	-62.6	135.1	0	0	112.1	I908 K1128 L1129 D1130 K1135 I1136	I908-E1132 HydrophobicContact CD1-CG 4.42Å; I908-E1132 HydrophobicContact CG1-CG 4.24Å; K1128-E1132 WeakPolarHBondContact CE-OE1 3.49Å; K1128-E1132 IonicContact NZ-OE1 3.9Å; K1128-E1132 PolarHBondContact NZ-OE1 3.34Å; K1128-E1132 WeakPolarHBondContact O-CG 3.42Å; K1128-E1132 PolarHBondContact O-N 3.08Å; K1128-E1132 VanDerWaalsContact O-N 3.15Å; L1129-E1132 PolarHBondContact O-N 3.35Å; D1130-E1132 VanDerWaalsContact C-N 3.34Å; D1130-E1132 PolarHBondContact O-N 3.11Å; E1132-K1135 IonicContact OE1-NZ 2.65Å; E1132-K1135 PolarHBondContact OE1-NZ 2.7Å; E1132-K1135 WeakPolarHBondContact OE2-CD 3.35Å; E1132-K1135 WeakPolarHBondContact OE2-CE 3.34Å; E1132-K1135 IonicContact OE2-NZ 2.78Å; E1132-K1135 PolarHBondContact OE2-NZ 3.47Å; E1132-I1136 WeakPolarHBondContact O-CD1 3.02Å; E1132-I1136 VanDerWaalsContact O-CG1 3.24Å; E1132-I1136 WeakPolarHBondContact O-CG1 3.18Å; E1132-I1136 PolarHBondContact O-N 2.85Å
1133	F	86.9	Confident	87.7	Confident	52 Å²	52	45 Å²	45	23%	0.228	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-54.2	169.3	-174.5	-79.8	0	0	0	110.6	F1097 P1101 L1103 L1129 D1130 K1135 I1136 F1137	F1097-F1133 HydrophobicContact CD2-CE1 4.21Å; F1097-F1133 HydrophobicContact CD2-CZ 4.48Å; F1097-F1133 AromaticContact CE2-CE1 3.97Å; F1097-F1133 HydrophobicContact CE2-CE1 3.97Å; F1097-F1133 AromaticContact CE2-CZ 3.81Å; F1097-F1133 HydrophobicContact CE2-CZ 3.81Å; P1101-F1133 HydrophobicContact CG-CD1 4.43Å; P1101-F1133 HydrophobicContact CG-CE1 3.72Å; L1103-F1133 HydrophobicContact CD2-CB 3.95Å; L1103-F1133 HydrophobicContact CD2-CD1 3.83Å; L1103-F1133 HydrophobicContact CD2-CD2 4.03Å; L1103-F1133 HydrophobicContact CD2-CE1 4.36Å; L1103-F1133 HydrophobicContact CD2-CG 3.66Å; L1129-F1133 WeakPolarHBondContact O-CB 3.43Å; L1129-F1133 PolarHBondContact O-N 2.97Å; D1130-F1133 WeakPolarHBondContact O-CA 3.44Å; D1130-F1133 WeakPolarHBondContact O-CB 3.41Å; D1130-F1133 PolarHBondContact O-N 2.73Å; F1133-K1135 VanDerWaalsContact C-N 3.32Å; F1133-K1135 PolarHBondContact O-N 3.13Å; F1133-I1136 PolarHBondContact O-N 3.49Å; F1133-I1136 VanDerWaalsContact O-N 3.09Å; F1133-F1137 HydrophobicContact CD1-CB 4.47Å; F1133-F1137 HydrophobicContact CD1-CD2 4.37Å; F1133-F1137 AromaticContact CD2-CD2 3.84Å; F1133-F1137 HydrophobicContact CD2-CD2 3.84Å; F1133-F1137 HydrophobicContact CD2-CE2 4.23Å; F1133-F1137 HydrophobicContact CE1-CB 4.1Å; F1133-F1137 HydrophobicContact CE1-CD2 4.3Å; F1133-F1137 AromaticContact CE2-CD2 3.8Å; F1133-F1137 HydrophobicContact CE2-CD2 3.8Å; F1133-F1137 HydrophobicContact CE2-CE2 4.2Å; F1133-F1137 HydrophobicContact CG-CD2 4.13Å; F1133-F1137 HydrophobicContact CZ-CB 4.35Å; F1133-F1137 HydrophobicContact CZ-CD2 4.04Å; F1133-F1137 HydrophobicContact CZ-CG 4.42Å; F1133-F1137 PolarHBondContact O-N 2.97Å
1134	Q	89.5	Confident	87.9	Confident	56 Å²	56	43 Å²	43	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-56.1	-46.1	179.3	-67	-180	23.2	0	0	111.7	P1100 D1130 I1136 V1138	P1100-Q1134 HydrophobicContact CB-CG 4.33Å; D1130-Q1134 WeakPolarHBondContact O-CG 3.28Å; D1130-Q1134 PolarHBondContact O-N 2.97Å; D1130-Q1134 PolarHBondContact OD1-NE2 2.89Å; D1130-Q1134 PolarHBondContact OD2-NE2 3.1Å; Q1134-I1136 PolarHBondContact O-N 2.92Å; Q1134-V1138 HydrophobicContact CB-CG2 4.2Å; Q1134-V1138 HydrophobicContact CG-CG2 4.45Å; Q1134-V1138 VanDerWaalsContact O-CB 3.28Å; Q1134-V1138 WeakPolarHBondContact O-CB 3.46Å; Q1134-V1138 PolarHBondContact O-N 3.37Å
1135	K	85.6	Confident	88	Confident	99 Å²	99	44.5 Å²	44.5	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-62.6	-19.9	179	177.6	180	169.6	-162.6	0	114.8	Q1131 E1132 F1133	Q1131-K1135 WeakPolarHBondContact O-CB 3.2Å; Q1131-K1135 PolarHBondContact O-N 2.82Å; Q1131-K1135 VanDerWaalsContact O-N 3.11Å; E1132-K1135 IonicContact OE1-NZ 2.65Å; E1132-K1135 PolarHBondContact OE1-NZ 2.7Å; E1132-K1135 WeakPolarHBondContact OE2-CD 3.35Å; E1132-K1135 WeakPolarHBondContact OE2-CE 3.34Å; E1132-K1135 IonicContact OE2-NZ 2.78Å; E1132-K1135 PolarHBondContact OE2-NZ 3.47Å; F1133-K1135 VanDerWaalsContact C-N 3.32Å; F1133-K1135 PolarHBondContact O-N 3.13Å
1136	I	84.6	Confident	88	Confident	50 Å²	50	50.1 Å²	50.1	26%	0.256	24%	0.237	S	C	.	.	H	α-helix	trans	-101.9	-46.4	179.7	-68.2	172	0	0	0	111.3	K904 E1132 F1133 Q1134 N1141	K904-I1136 HydrophobicContact CD-CD1 4.19Å; E1132-I1136 WeakPolarHBondContact O-CD1 3.02Å; E1132-I1136 VanDerWaalsContact O-CG1 3.24Å; E1132-I1136 WeakPolarHBondContact O-CG1 3.18Å; E1132-I1136 PolarHBondContact O-N 2.85Å; F1133-I1136 PolarHBondContact O-N 3.49Å; F1133-I1136 VanDerWaalsContact O-N 3.09Å; Q1134-I1136 PolarHBondContact O-N 2.92Å; I1136-N1141 WeakPolarHBondContact O-CB 3.4Å
1137	F	88.9	Confident	87.7	Confident	43 Å²	43	50.8 Å²	50.8	19%	0.189	24%	0.242	C	C	.	.	H	α-helix	trans	-105.5	-5.9	-167.2	-66.5	-69.2	0	0	0	115.4	Y1095 G1096 F1097 F1133 D1143	Y1095-F1137 HydrophobicContact CE2-CD1 4.34Å; Y1095-F1137 HydrophobicContact CE2-CE1 4.13Å; G1096-F1137 CarbonylContact C-O 3.6Å; G1096-F1137 WeakPolarHBondContact CA-O 3.21Å; F1097-F1137 HydrophobicContact CD2-CB 4.21Å; F1097-F1137 PolarHBondContact N-O 2.8Å; F1133-F1137 HydrophobicContact CD1-CB 4.47Å; F1133-F1137 HydrophobicContact CD1-CD2 4.37Å; F1133-F1137 AromaticContact CD2-CD2 3.84Å; F1133-F1137 HydrophobicContact CD2-CD2 3.84Å; F1133-F1137 HydrophobicContact CD2-CE2 4.23Å; F1133-F1137 HydrophobicContact CE1-CB 4.1Å; F1133-F1137 HydrophobicContact CE1-CD2 4.3Å; F1133-F1137 AromaticContact CE2-CD2 3.8Å; F1133-F1137 HydrophobicContact CE2-CD2 3.8Å; F1133-F1137 HydrophobicContact CE2-CE2 4.2Å; F1133-F1137 HydrophobicContact CG-CD2 4.13Å; F1133-F1137 HydrophobicContact CZ-CB 4.35Å; F1133-F1137 HydrophobicContact CZ-CD2 4.04Å; F1133-F1137 HydrophobicContact CZ-CG 4.42Å; F1133-F1137 PolarHBondContact O-N 2.97Å; F1137-D1143 HydrophobicContact CD1-CB 4.18Å; F1137-D1143 HydrophobicContact CE1-CB 3.83Å
1138	V	92.9	Very high	87.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-100.1	133	178.8	-175.5	0	0	0	0	110.7	H622 F1097 P1100 Q1134 N1141	H622-V1138 HydrophobicContact CB-CG1 4Å; H622-V1138 WeakPolarHBondContact ND1-CG1 3.41Å; F1097-V1138 HydrophobicContact CB-CG2 4.38Å; F1097-V1138 WeakPolarHBondContact O-CA 3.5Å; P1100-V1138 HydrophobicContact CG-CG1 4.5Å; Q1134-V1138 HydrophobicContact CB-CG2 4.2Å; Q1134-V1138 HydrophobicContact CG-CG2 4.45Å; Q1134-V1138 VanDerWaalsContact O-CB 3.28Å; Q1134-V1138 WeakPolarHBondContact O-CB 3.46Å; Q1134-V1138 PolarHBondContact O-N 3.37Å; V1138-N1141 CarbonylContact C-O 3.59Å; V1138-N1141 PolarHBondContact O-N 2.93Å; V1138-N1141 VanDerWaalsContact O-O 3.12Å
1139	M	90.7	Very high	87.1	Confident	39 Å²	39	55.8 Å²	55.8	19%	0.192	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	138.9	-178.8	-74.9	-178.9	63.8	0	0	111.7	H622 W945 A1082 F1097 R1098 N1141 M1142	H622-M1139 WeakPolarHBondContact CA-O 3.15Å; H622-M1139 WeakPolarHBondContact CB-O 3.11Å; H622-M1139 PolarHBondContact ND1-O 3.14Å; W945-M1139 HydrophobicContact CH2-CE 4.03Å; W945-M1139 HydrophobicContact CZ3-CE 4.31Å; A1082-M1139 HydrophobicContact CB-SD 3.95Å; F1097-M1139 WeakPolarHBondContact O-CG 3.29Å; F1097-M1139 PolarHBondContact O-N 2.97Å; R1098-M1139 HydrophobicContact CB-SD 4.45Å; R1098-M1139 HydrophobicContact CG-SD 3.92Å; M1139-N1141 PolarHBondContact N-O 3.24Å; M1139-M1142 HydrophobicContact CG-CG 4.13Å; M1139-M1142 HydrophobicContact CG-SD 4.28Å
1140	P	88	Confident	87	Confident	49 Å²	49	56.9 Å²	56.9	32%	0.318	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	cis	-81.9	-0.2	11.9	33	-36.9	0	0	0	115.2	A620 T732	A620-P1140 HydrophobicContact CB-CG 3.56Å; T732-P1140 HydrophobicContact CG2-CB 4.24Å; T732-P1140 HydrophobicContact CG2-CG 4.41Å; T732-P1140 WeakPolarHBondContact CG2-O 3.41Å
1141	N	90	Very high	86.5	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.053	30%	0.301	C	S	.	.			trans	-77.9	133.7	171.8	-65	-85.8	0	0	0	109.9	A620 K659 I1136 V1138 M1139	A620-N1141 PolarHBondContact O-ND2 3.05Å; K659-N1141 PolarHBondContact NZ-OD1 2.7Å; I1136-N1141 WeakPolarHBondContact O-CB 3.4Å; V1138-N1141 CarbonylContact C-O 3.59Å; V1138-N1141 PolarHBondContact O-N 2.93Å; V1138-N1141 VanDerWaalsContact O-O 3.12Å; M1139-N1141 PolarHBondContact N-O 3.24Å
1142	M	90.8	Very high	85.9	Confident	17 Å²	17	58.8 Å²	58.8	8%	0.084	29%	0.292	C	S	.	.			trans	-140.4	149.7	177.7	-62.2	178.8	80.6	0	0	107.3	R734 W945 N1084 W1094 Y1095 M1139	R734-M1142 WeakPolarHBondContact CD-SD 3.47Å; W945-M1142 HydrophobicContact CH2-SD 4.49Å; W945-M1142 HydrophobicContact CZ3-CE 4.24Å; N1084-M1142 HydrophobicContact CB-CE 4.4Å; W1094-M1142 HydrophobicContact CB-CB 4.39Å; W1094-M1142 HydrophobicContact CB-CE 4.04Å; W1094-M1142 HydrophobicContact CB-SD 4.41Å; W1094-M1142 HydrophobicContact CE3-CB 4.05Å; Y1095-M1142 WeakPolarHBondContact O-CA 3.34Å; Y1095-M1142 WeakPolarHBondContact O-CB 3.41Å; M1139-M1142 HydrophobicContact CG-CG 4.13Å; M1139-M1142 HydrophobicContact CG-SD 4.28Å
1143	D	88.4	Confident	85.1	Confident	41 Å²	41	58.1 Å²	58.1	22%	0.219	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	157.3	175.2	-155.2	56.8	0	0	0	108.8	W1094 Y1095 F1137	W1094-D1143 WeakPolarHBondContact CA-O 3.45Å; Y1095-D1143 HydrophobicContact CD1-CB 4.41Å; Y1095-D1143 WeakPolarHBondContact CD1-O 3.46Å; Y1095-D1143 HydrophobicContact CE1-CB 3.76Å; Y1095-D1143 HydrophobicContact CE2-CB 4.49Å; Y1095-D1143 PolarHBondContact N-O 2.85Å; Y1095-D1143 PolarHBondContact O-N 3.24Å; Y1095-D1143 PolarHBondContact OH-OD2 3.47Å; Y1095-D1143 VanDerWaalsContact OH-OD2 3.12Å; F1137-D1143 HydrophobicContact CD1-CB 4.18Å; F1137-D1143 HydrophobicContact CE1-CB 3.83Å
1144	D	88.9	Confident	84.1	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.23	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136	-172.6	67.2	-65.5	0	0	0	114.5	R1092 W1094	R1092-D1144 WeakPolarHBondContact CD-OD2 3.36Å; R1092-D1144 IonicContact CZ-OD2 2.9Å; R1092-D1144 IonicContact NE-OD2 2.7Å; R1092-D1144 IonicContact NH1-OD2 3.62Å; R1092-D1144 PolarHBondContact NH1-OD2 3.11Å; W1094-D1144 HydrophobicContact CD2-CB 4.05Å; W1094-D1144 HydrophobicContact CE3-CB 3.81Å; W1094-D1144 HydrophobicContact CH2-CB 4.01Å; W1094-D1144 HydrophobicContact CZ2-CB 4.25Å; W1094-D1144 HydrophobicContact CZ3-CB 3.79Å
1145	I	87.2	Confident	82.9	Confident	86 Å²	86	58.5 Å²	58.5	44%	0.441	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121	171.3	-55	-179	0	0	0	108.4	R1092 I1093 Y1095 L1147	R1092-I1145 VanDerWaalsContact CA-O 3.29Å; R1092-I1145 WeakPolarHBondContact CA-O 3.07Å; I1093-I1145 PolarHBondContact N-O 2.9Å; I1093-I1145 PolarHBondContact O-N 2.81Å; Y1095-I1145 HydrophobicContact CD1-CD1 4.06Å; Y1095-I1145 HydrophobicContact CD1-CG1 3.88Å; Y1095-I1145 HydrophobicContact CE1-CD1 3.93Å; Y1095-I1145 HydrophobicContact CE1-CG1 3.58Å; I1145-L1147 HydrophobicContact CG2-CD2 4.28Å
1146	W	83.9	Confident	81.2	Confident	119 Å²	119	61.2 Å²	61.2	45%	0.451	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.1	173.1	174.8	55.8	0	0	0	111.2	D1091 P1148	D1091-W1146 VanDerWaalsContact O-CD1 3.31Å; D1091-W1146 PolarHBondContact OD2-NE1 3.12Å; W1146-P1148 HydrophobicContact CD2-CG 4.26Å; W1146-P1148 HydrophobicContact CE3-CG 4.06Å; W1146-P1148 HydrophobicContact CH2-CB 4.11Å; W1146-P1148 HydrophobicContact CH2-CG 3.71Å; W1146-P1148 HydrophobicContact CZ2-CB 3.99Å; W1146-P1148 HydrophobicContact CZ2-CG 3.89Å; W1146-P1148 HydrophobicContact CZ3-CG 3.81Å
1147	L	83.6	Confident	79.5	Confident	61 Å²	61	68.3 Å²	68.3	32%	0.319	34%	0.336	S	S	.	.			trans	-115.6	107.8	176	-67.7	-171.6	0	0	0	110.7	D1091 I1093 I1145 I1149 M1150	D1091-L1147 PolarHBondContact O-N 3.14Å; I1093-L1147 HydrophobicContact CD1-CD1 3.53Å; I1093-L1147 HydrophobicContact CD1-CG 4.5Å; I1093-L1147 HydrophobicContact CG1-CD1 3.8Å; I1093-L1147 HydrophobicContact CG1-CG 4.42Å; I1145-L1147 HydrophobicContact CG2-CD2 4.28Å; L1147-I1149 PolarHBondContact O-N 2.85Å; L1147-M1150 HydrophobicContact CB-CG 4.46Å; L1147-M1150 HydrophobicContact CB-SD 3.99Å; L1147-M1150 HydrophobicContact CD1-SD 3.85Å; L1147-M1150 HydrophobicContact CG-SD 4.46Å; L1147-M1150 PolarHBondContact O-N 3.33Å
1148	P	79	Confident	77.5	Confident	92 Å²	92	68 Å²	68	60%	0.597	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-10.7	-176.1	-24.2	32.8	0	0	0	116.4	W1146	W1146-P1148 HydrophobicContact CD2-CG 4.26Å; W1146-P1148 HydrophobicContact CE3-CG 4.06Å; W1146-P1148 HydrophobicContact CH2-CB 4.11Å; W1146-P1148 HydrophobicContact CH2-CG 3.71Å; W1146-P1148 HydrophobicContact CZ2-CB 3.99Å; W1146-P1148 HydrophobicContact CZ2-CG 3.89Å; W1146-P1148 HydrophobicContact CZ3-CG 3.81Å
1149	I	83.2	Confident	75.1	Confident	162 Å²	162	72.5 Å²	72.5	83%	0.831	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-20.5	179.3	-59.1	174	0	0	0	111.2	L1147	L1147-I1149 PolarHBondContact O-N 2.85Å
1150	M	82.9	Confident	72.6	Confident	52 Å²	52	72.4 Å²	72.4	26%	0.256	37%	0.369	S	S	.	.	S	Bend	trans	-97.1	150.7	-177.6	-69	167.8	56.8	0	0	111.6	I1085 T1090 D1091 L1147	I1085-M1150 HydrophobicContact CG2-CE 3.78Å; T1090-M1150 HydrophobicContact CG2-CE 4.02Å; T1090-M1150 WeakPolarHBondContact O-CB 3.33Å; T1090-M1150 WeakPolarHBondContact O-CE 3.32Å; D1091-M1150 HydrophobicContact CB-CB 4.4Å; D1091-M1150 WeakPolarHBondContact CB-O 3.32Å; L1147-M1150 HydrophobicContact CB-CG 4.46Å; L1147-M1150 HydrophobicContact CB-SD 3.99Å; L1147-M1150 HydrophobicContact CD1-SD 3.85Å; L1147-M1150 HydrophobicContact CG-SD 4.46Å; L1147-M1150 PolarHBondContact O-N 3.33Å
1151	H	77.6	Confident	70.2	Confident	124 Å²	124	76.3 Å²	76.3	57%	0.574	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-99.5	121.7	-175.8	-70.2	-58	0	0	0	112.5	P1089 T1090	P1089-H1151 CarbonylContact C-O 3.26Å; P1089-H1151 VanDerWaalsContact C-O 3.28Å; P1089-H1151 WeakPolarHBondContact CA-O 3.15Å; P1089-H1151 WeakPolarHBondContact CB-O 3.34Å; T1090-H1151 CarbonylContact C-O 3.58Å; T1090-H1151 VanDerWaalsContact C-O 3.31Å; T1090-H1151 PolarHBondContact N-O 3.32Å; T1090-H1151 VanDerWaalsContact N-O 3.1Å; T1090-H1151 VanDerWaalsContact O-O 3.11Å
1152	S	75.8	Confident	67.8	Low	6 Å²	6	81.7 Å²	81.7	4%	0.042	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-78.4	144.6	177.9	-150.6	0	0	0	0	111.8	D1091 M1154 D1155	D1091-S1152 VanDerWaalsContact CG-OG 3.29Å; D1091-S1152 WeakPolarHBondContact OD1-CB 3.26Å; D1091-S1152 PolarHBondContact OD1-OG 2.92Å; S1152-M1154 PolarHBondContact O-N 2.92Å; S1152-D1155 WeakPolarHBondContact O-CB 3.17Å; S1152-D1155 PolarHBondContact O-N 3.02Å
1153	A	67.9	Low	65.1	Low	19 Å²	19	84.4 Å²	84.4	16%	0.157	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-22.9	169.2	0	0	0	0	0	114.1	P1089	P1089-A1153 HydrophobicContact CG-CB 3.94Å; P1089-A1153 WeakPolarHBondContact O-CB 3.44Å; P1089-A1153 PolarHBondContact O-N 3.11Å; P1089-A1153 VanDerWaalsContact O-N 3.11Å
1154	M	66.1	Low	62.5	Low	76 Å²	76	87.1 Å²	87.1	37%	0.374	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.5	179.4	-56.8	-66.8	158.9	0	0	113.9	L646 V656 W657 F740 S1152 M1156	L646-M1154 HydrophobicContact CD1-CE 3.41Å; L646-M1154 VanDerWaalsContact CD1-CE 3.41Å; L646-M1154 HydrophobicContact CD1-SD 4.3Å; L646-M1154 HydrophobicContact CG-CE 3.99Å; V656-M1154 HydrophobicContact CG1-CE 4.31Å; V656-M1154 HydrophobicContact CG1-CG 4.34Å; W657-M1154 HydrophobicContact CH2-CE 3.42Å; W657-M1154 VanDerWaalsContact CH2-CE 3.42Å; W657-M1154 HydrophobicContact CZ2-CE 4.08Å; W657-M1154 HydrophobicContact CZ3-CE 4.02Å; F740-M1154 HydrophobicContact CD1-CE 3.78Å; F740-M1154 HydrophobicContact CD2-CE 4.35Å; F740-M1154 HydrophobicContact CE1-CE 3.32Å; F740-M1154 HydrophobicContact CE1-SD 4.48Å; F740-M1154 HydrophobicContact CE2-CE 3.96Å; F740-M1154 HydrophobicContact CG-CE 4.28Å; F740-M1154 HydrophobicContact CZ-CE 3.44Å; F740-M1154 VanDerWaalsContact CZ-CE 3.44Å; F740-M1154 HydrophobicContact CZ-SD 4.3Å; S1152-M1154 PolarHBondContact O-N 2.92Å; M1154-M1156 PolarHBondContact O-N 2.88Å
1155	D	64.3	Low	59.9	Low	40 Å²	40	90 Å²	90	21%	0.214	47%	0.47	C	S	.	.			trans	-85.2	112	-176.8	-156.1	-53.1	0	0	0	110.9	R653 S1152 R1157 S1158	R653-D1155 IonicContact CZ-OD2 2.65Å; R653-D1155 IonicContact NH2-OD2 3.68Å; R653-D1155 PolarHBondContact NH2-OD2 3.26Å; S1152-D1155 WeakPolarHBondContact O-CB 3.17Å; S1152-D1155 PolarHBondContact O-N 3.02Å; D1155-R1157 PolarHBondContact O-N 3.03Å; D1155-R1157 VanDerWaalsContact OD1-CB 3.29Å; D1155-R1157 WeakPolarHBondContact OD1-CB 3.38Å; D1155-R1157 PolarHBondContact OD1-N 3.1Å; D1155-R1157 VanDerWaalsContact OD1-N 3.13Å; D1155-S1158 VanDerWaalsContact O-CB 3.23Å; D1155-S1158 WeakPolarHBondContact O-CB 3.38Å; D1155-S1158 PolarHBondContact O-N 3.21Å; D1155-S1158 PolarHBondContact O-OG 3.33Å
1156	M	51.6	Low	57.6	Low	157 Å²	157	91.6 Å²	91.6	77%	0.773	48%	0.48	S	S	*	.	H	α-helix	trans	-59.1	-20.4	-178.3	-63.9	-177.1	74	0	0	113.5	M1154 S1158 N1159 A1160	M1154-M1156 PolarHBondContact O-N 2.88Å; M1156-S1158 PolarHBondContact O-N 3.46Å; M1156-N1159 PolarHBondContact O-N 3.4Å; M1156-N1159 VanDerWaalsContact O-N 3.16Å; M1156-A1160 PolarHBondContact O-N 2.73Å; M1156-A1160 VanDerWaalsContact O-N 3.08Å
1157	R	48.2	Very low	55.2	Low	198 Å²	198	92.3 Å²	92.3	75%	0.747	49%	0.492	S	S	*	.	H	α-helix	trans	-64.3	-23.9	173.6	-174	174.6	-103.6	-179.2	-5.4	112.5	D1155	D1155-R1157 PolarHBondContact O-N 3.03Å; D1155-R1157 VanDerWaalsContact OD1-CB 3.29Å; D1155-R1157 WeakPolarHBondContact OD1-CB 3.38Å; D1155-R1157 PolarHBondContact OD1-N 3.1Å; D1155-R1157 VanDerWaalsContact OD1-N 3.13Å
1158	S	46.8	Very low	52.9	Low	38 Å²	38	93.3 Å²	93.3	27%	0.266	51%	0.509	S	S	.	.	H	α-helix	trans	-65.7	-46.4	171.8	-39.6	0	0	0	0	110.9	D1155 M1156	D1155-S1158 VanDerWaalsContact O-CB 3.23Å; D1155-S1158 WeakPolarHBondContact O-CB 3.38Å; D1155-S1158 PolarHBondContact O-N 3.21Å; D1155-S1158 PolarHBondContact O-OG 3.33Å; M1156-S1158 PolarHBondContact O-N 3.46Å
1159	N	43.1	Very low	50.8	Low	94 Å²	94	96.5 Å²	96.5	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-76.6	-30.6	-173.6	-61.2	-3	0	0	0	112.2	M1156 N1161 L1162 T1163	M1156-N1159 PolarHBondContact O-N 3.4Å; M1156-N1159 VanDerWaalsContact O-N 3.16Å; N1159-N1161 PolarHBondContact O-N 3.08Å; N1159-N1161 VanDerWaalsContact O-N 3.15Å; N1159-L1162 PolarHBondContact O-N 3.12Å; N1159-T1163 PolarHBondContact O-N 2.64Å; N1159-T1163 PolarHBondContact O-OG1 3.03Å
1160	A	38.3	Very low	48.4	Very low	37 Å²	37	97.8 Å²	97.8	31%	0.306	52%	0.52	S	S	.	.	H	α-helix	trans	-55.6	-31.6	177.9	0	0	0	0	0	113.2	M1156 L1162 V1164	M1156-A1160 PolarHBondContact O-N 2.73Å; M1156-A1160 VanDerWaalsContact O-N 3.08Å; A1160-L1162 PolarHBondContact O-N 2.85Å; A1160-V1164 HydrophobicContact CB-CG2 4.49Å; A1160-V1164 VanDerWaalsContact O-CB 3.26Å; A1160-V1164 WeakPolarHBondContact O-CB 3.29Å; A1160-V1164 WeakPolarHBondContact O-CG2 3.27Å; A1160-V1164 PolarHBondContact O-N 3.2Å; A1160-V1164 VanDerWaalsContact O-N 3.16Å
1161	N	36.2	Very low	45.9	Very low	130 Å²	130	102.7 Å²	102.7	70%	0.695	55%	0.547	S	S	*	.	H	α-helix	trans	-74	-5.2	177.4	-67.8	-20.7	0	0	0	114.1	N1159	N1159-N1161 PolarHBondContact O-N 3.08Å; N1159-N1161 VanDerWaalsContact O-N 3.15Å
1162	L	40.1	Very low	43.9	Very low	123 Å²	123	102.3 Å²	102.3	64%	0.644	56%	0.556	S	S	*	*	H	α-helix	trans	-113.3	-30.4	177	-76.3	166.2	0	0	0	113.3	N1159 A1160 T1165 N1166	N1159-L1162 PolarHBondContact O-N 3.12Å; A1160-L1162 PolarHBondContact O-N 2.85Å; L1162-T1165 PolarHBondContact O-OG1 3.5Å; L1162-N1166 PolarHBondContact O-ND2 3.04Å
1163	T	34.1	Very low	41.8	Very low	75 Å²	75	110.9 Å²	110.9	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-87	-39.7	176.5	42.6	0	0	0	0	113.6	N1159 T1165 N1166 D1167	N1159-T1163 PolarHBondContact O-N 2.64Å; N1159-T1163 PolarHBondContact O-OG1 3.03Å; T1163-T1165 PolarHBondContact O-N 3.14Å; T1163-T1165 VanDerWaalsContact O-N 3.11Å; T1163-N1166 PolarHBondContact O-N 3.41Å; T1163-D1167 PolarHBondContact O-N 3.29Å; T1163-D1167 VanDerWaalsContact O-N 3.12Å
1164	V	33.3	Very low	40.2	Very low	97 Å²	97	115.6 Å²	115.6	59%	0.588	62%	0.624	S	S	*	*	H	α-helix	trans	-63.8	-22.8	-175.8	176.3	0	0	0	0	112.7	A1160 A1168	A1160-V1164 HydrophobicContact CB-CG2 4.49Å; A1160-V1164 VanDerWaalsContact O-CB 3.26Å; A1160-V1164 WeakPolarHBondContact O-CB 3.29Å; A1160-V1164 WeakPolarHBondContact O-CG2 3.27Å; A1160-V1164 PolarHBondContact O-N 3.2Å; A1160-V1164 VanDerWaalsContact O-N 3.16Å; V1164-A1168 VanDerWaalsContact O-CB 3.32Å; V1164-A1168 WeakPolarHBondContact O-CB 3.49Å
1165	T	34.7	Very low	38.6	Very low	103 Å²	103	121.1 Å²	121.1	63%	0.632	65%	0.649	S	S	*	*	H	α-helix	trans	-81.7	-9.9	173.7	45.5	0	0	0	0	114.6	L1162 T1163	L1162-T1165 PolarHBondContact O-OG1 3.5Å; T1163-T1165 PolarHBondContact O-N 3.14Å; T1163-T1165 VanDerWaalsContact O-N 3.11Å
1166	N	39	Very low	37	Very low	121 Å²	121	128.7 Å²	128.7	65%	0.647	68%	0.683	S	S	*	*	H	α-helix	trans	-104.6	-41.7	177.7	-74.5	-77.1	0	0	0	112.3	L1162 T1163 A1168	L1162-N1166 PolarHBondContact O-ND2 3.04Å; T1163-N1166 PolarHBondContact O-N 3.41Å; N1166-A1168 PolarHBondContact O-N 3.18Å
1167	D	34.2	Very low	36.3	Very low	133 Å²	133	126.1 Å²	126.1	71%	0.711	68%	0.681	S	S	*	*	H	α-helix	trans	-74	-13.2	-180	-68.5	-47.4	0	0	0	113.6	T1163 L1169	T1163-D1167 PolarHBondContact O-N 3.29Å; T1163-D1167 VanDerWaalsContact O-N 3.12Å; D1167-L1169 VanDerWaalsContact C-N 3.33Å; D1167-L1169 PolarHBondContact O-N 2.93Å
1168	A	34.5	Very low	35.4	Very low	82 Å²	82	125.7 Å²	125.7	68%	0.678	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	5.1	-179.1	0	0	0	0	0	115.1	V1164 N1166	V1164-A1168 VanDerWaalsContact O-CB 3.32Å; V1164-A1168 WeakPolarHBondContact O-CB 3.49Å; N1166-A1168 PolarHBondContact O-N 3.18Å
1169	L	35.7	Very low	34.9	Very low	160 Å²	160	131.7 Å²	131.7	84%	0.838	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	41.9	-178.9	-154.8	92.3	0	0	0	113	D1167	D1167-L1169 VanDerWaalsContact C-N 3.33Å; D1167-L1169 PolarHBondContact O-N 2.93Å
1170	K	32.6	Very low	34.4	Very low	189 Å²	189	132 Å²	132	82%	0.822	73%	0.725	S	S	*	*			trans	-121.1	98.6	172.4	-163.5	174	-174.2	-179.6	0	109.5
1171	D	29.5	Very low	34.3	Very low	154 Å²	154	137.7 Å²	137.7	82%	0.824	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60.3	148.1	176.8	-78.6	-50.1	0	0	0	111.5
1172	P	36.6	Very low	34.3	Very low	116 Å²	116	142 Å²	142	75%	0.753	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-75.5	147.6	175.9	32.1	-34.7	0	0	0	111.7
1173	E	30.1	Very low	34	Very low	186 Å²	186	143 Å²	143	87%	0.869	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-69.2	149	165.5	-68.1	-169.9	134.2	0	0	110.6
1174	P	34.9	Very low	34	Very low	118 Å²	118	146.6 Å²	146.6	77%	0.766	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.5	139.7	-177.1	31.1	-34.9	0	0	0	112.3
1175	E	32	Very low	34	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.7	126.9	163.5	-66.3	-171.3	150.6	0	0	109.9
1176	E	32.3	Very low	34	Very low	199 Å²	199	152.1 Å²	152.1	93%	0.93	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-81.7	135.1	164.4	-69.2	-168.9	137.6	0	0	110
1177	S	35.6	Very low	33.7	Very low	103 Å²	103	154 Å²	154	72%	0.72	84%	0.84	S	S	*	*			trans	-129.3	110.9	-173.5	67.4	0	0	0	0	113.3
1178	E	30.2	Very low	33.6	Very low	189 Å²	189	155.4 Å²	155.4	88%	0.883	85%	0.848	S	S	*	*			trans	-125.9	127	155.9	-58.9	-167.1	137.7	0	0	106.1
1179	L	36.2	Very low	33.6	Very low	164 Å²	164	160.6 Å²	160.6	86%	0.859	86%	0.86	S	S	*	*				56.8	125.8	60.9	-64.1	168.5	0	0	0	111.5
1180	S	31.7	Very low	33.4	Very low	100 Å²	100	160.7 Å²	160.7	70%	0.699	86%	0.862	S	S	*	*			cis	-158.2	162.6	7.6	55.1	0	0	0	0	112.2
1181	D	36.2	Very low	33.5	Very low	157 Å²	157	158.3 Å²	158.3	84%	0.84	87%	0.865	S	S	*	*			trans	13.6	116.3	156.6	-56.2	-18.6	0	0	0	120
1182	V	36.6	Very low	33.8	Very low	222 Å²	222	158.7 Å²	158.7	100%	1.345	87%	0.869	S	S	*	*				-158.8	0	117.8	146.1	0	0	0	0	109.2

Retrieved 1,182 of 1,182 residues in 393.6 ms (Link to these results)

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