A0A5K4F2Z1_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2Z1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 943 aa.

						>A0A5K4F2Z1_SCHMA|A0A5K4F2Z1
MLHRPTLMPPSMRSSSKFNLSTNSQHSSQSIKIESPELIQLLDCDDDEIVIVEPTDPDEDRMKQEDTTCEDVLKKEQEDYTEEDYNENDEDMNSNESHMKSESHIPVSNIKLDEPTGNETAVTVPTDSVKPIGILPLNDAIQNLLTCIPHGAATIQNVPLQPILSSKMNGSESVQMPNVVSNTLPTLWLHSPVVNSTGMSMPSVNSVTDLTSNIVQNTANALNPLVAAVLVNCATVNMISQLAGSMCTPIVNSGVMDGNVNGSNVNNNNNHTSINGSVSSGNVGVGVNVGVSGINTVTIPTASLLPNLLSAIPLSTYISGLGLNTSGGIITSPNNLCDVGVANTVVSSAATLNNTNNISGILVTPSNVENITVSLSSDRSSSQAEYLNISNDKNTQRPIGRVKRFKCPVVNCEMSFYSRFNQMEHIRTHTGERPFTCPEPHCNSTFKRRRDLRDHWSMHLLDCPPSATLTEEEFNKALKEADEKYNAMYKWETLDVNCSVNKDNITCSNNNSNDKNNDVNTVKSESSQSSVVIPDPRALFNIKSVSALGRYHCTYPGCDKSYARRHRLNQHISTHTGTGPIPCDAPNCNVRYFSEEDLKRHKLSHLYAADRDSRRRHACTYAGCGKAYSKLNKLKEHLRSHTGERPYVCREPGCGAAFIRLYGVKRHELTHVFGRKRAERLSQIPNTDANSMTETSFDISDPRLDIQNNPEITTTSPYILPKPEPMETRNEISIAPAITKNRPLPAIAPKSSVSLPMRPISPISGNPGMRRPHICPFKECGKAFPKLNKLREHICRHTGERPFVCDKCKASFVRMYDLRRHSNIHLRGAQPRSLSRFLTTPQQTNETLESIIANSQIPVSTTTITTTYATCTTNTIPTVITTVSGTNLLSDTTNPIISTVPVSINTLKVEEEPVLIRMEDITEQSTNVRPCDTNDQVTDCIDK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.9	Very low	30.8	Very low	234 Å²	234	153.3 Å²	153.3	100%	1.153	82%	0.816	S	S	*	*				0	165.5	0	-71.4	179.6	71.3	0	0	109.1
2	L	35.2	Very low	30.7	Very low	153 Å²	153	155.8 Å²	155.8	80%	0.801	82%	0.823	S	S	*	*			trans	69.2	113.1	175.9	-58.4	174.9	0	0	0	117.3
3	H	32	Very low	30.3	Very low	168 Å²	168	163.1 Å²	163.1	78%	0.778	83%	0.833	S	S	*	*			trans	47	84	153.4	-62.8	-73.1	0	0	0	121
4	R	29.9	Very low	30.2	Very low	229 Å²	229	159.6 Å²	159.6	86%	0.864	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-63.9	139.5	140.8	-175.8	-178.7	-170.5	166	3.1	109.5
5	P	37.6	Very low	29.8	Very low	123 Å²	123	157.1 Å²	157.1	80%	0.799	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-62.6	136.7	172.3	-23.4	34.5	0	0	0	112.2
6	T	30.9	Very low	29.6	Very low	128 Å²	128	153.6 Å²	153.6	79%	0.785	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-83.4	135.4	-177.5	-49.2	0	0	0	0	111.4
7	L	28.7	Very low	29.3	Very low	166 Å²	166	156.7 Å²	156.7	87%	0.869	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.4	129.7	168.9	-80.2	156.1	0	0	0	110.6
8	M	28.5	Very low	28.9	Very low	173 Å²	173	157.3 Å²	157.3	85%	0.852	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-93.8	155.2	160.6	-77.8	-155.6	76.5	0	0	110.7
9	P	29.5	Very low	28.6	Very low	82 Å²	82	157.3 Å²	157.3	53%	0.532	82%	0.824	S	S	.	*				-105.6	160.5	-126.7	37.4	-37.8	0	0	0	116	S11	P9-S11 PolarHBondContact O-N 2.65Å
10	P	31.2	Very low	28.4	Very low	135 Å²	135	157 Å²	157	88%	0.877	82%	0.822	S	S	*	*			trans	-76.7	84.9	173.1	32.5	-35.2	0	0	0	111.7
11	S	25.3	Very low	28.2	Very low	95 Å²	95	154.2 Å²	154.2	66%	0.664	82%	0.816	S	S	*	*			trans	-132.6	47.5	179.6	68.7	0	0	0	0	114.8	P9	P9-S11 PolarHBondContact O-N 2.65Å
12	M	30	Very low	27.8	Very low	184 Å²	184	149 Å²	149	91%	0.906	80%	0.798	S	S	*	*			trans	-127.2	79.1	154.3	-69.9	-152.7	79	0	0	110.1
13	R	24.6	Very low	27.2	Very low	250 Å²	250	148.5 Å²	148.5	94%	0.943	80%	0.796	S	S	*	*			trans	-95.9	100.9	166.6	-82.6	-175	171.7	-174.9	-1.9	109.6
14	S	29	Very low	26.9	Very low	115 Å²	115	145.9 Å²	145.9	80%	0.804	80%	0.796	S	S	*	*			trans	-146.7	135.8	152.1	51.1	0	0	0	0	108.7
15	S	24.9	Very low	26.7	Very low	122 Å²	122	142.5 Å²	142.5	85%	0.853	79%	0.79	S	S	*	*			trans	-102.9	131.8	-169.4	52.5	0	0	0	0	111.9
16	S	25.9	Very low	26.1	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	80%	0.796	S	S	*	*			trans	-145.7	135.4	149.4	59.2	0	0	0	0	110.4
17	K	24.4	Very low	25.9	Very low	207 Å²	207	145.9 Å²	145.9	90%	0.9	80%	0.8	S	S	*	*			trans	-83.9	119.4	162.9	-69.7	177.1	177.8	178.2	0	106.6
18	F	23.3	Very low	25.7	Very low	167 Å²	167	142.7 Å²	142.7	73%	0.732	79%	0.791	S	S	*	*			trans	-137.3	88.5	166.6	-98.5	-75.1	0	0	0	110.4	L20	F18-L20 HydrophobicContact CB-CD1 3.97Å; F18-L20 HydrophobicContact CD1-CD1 3.89Å; F18-L20 HydrophobicContact CG-CD1 4.31Å; F18-L20 PolarHBondContact O-N 2.69Å
19	N	23.3	Very low	25.7	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	79%	0.79	S	S	*	*			trans	-72.4	105.4	155.6	-72.9	-11.6	0	0	0	106.8	S21	N19-S21 PolarHBondContact O-N 3.35Å
20	L	24.5	Very low	25.3	Very low	152 Å²	152	144.7 Å²	144.7	80%	0.796	81%	0.805	S	S	*	*			trans	-80.9	92.6	164.2	-90	76.1	0	0	0	108.4	F18	F18-L20 HydrophobicContact CB-CD1 3.97Å; F18-L20 HydrophobicContact CD1-CD1 3.89Å; F18-L20 HydrophobicContact CG-CD1 4.31Å; F18-L20 PolarHBondContact O-N 2.69Å
21	S	23.3	Very low	25	Very low	98 Å²	98	145.6 Å²	145.6	69%	0.685	80%	0.8	S	S	*	*			trans	-88.8	125.1	154.8	-61.7	0	0	0	0	108.7	N19	N19-S21 PolarHBondContact O-N 3.35Å
22	T	22.1	Very low	24.7	Very low	125 Å²	125	150.2 Å²	150.2	77%	0.767	81%	0.808	S	S	*	*			trans	31.3	98.3	145.1	56.7	0	0	0	0	118.1
23	N	22.1	Very low	24.5	Very low	143 Å²	143	149.1 Å²	149.1	77%	0.765	80%	0.804	S	S	*	*			trans	-172.2	100.7	131	-104.3	-26.3	0	0	0	114.9
24	S	26.1	Very low	24.5	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	80%	0.799	S	S	*	*				-151.2	127.3	124.4	53.8	0	0	0	0	105.4
25	Q	25.2	Very low	24.3	Very low	159 Å²	159	145.4 Å²	145.4	74%	0.743	80%	0.798	S	S	*	*			cis	58.9	76.6	35.6	-60.9	-156.5	-1.3	0	0	113.6
26	H	26.3	Very low	24.7	Very low	200 Å²	200	144.3 Å²	144.3	93%	0.926	79%	0.788	S	S	*	*			trans	-156.7	74.5	142.6	-99.7	-62.6	0	0	0	111.2
27	S	26.5	Very low	24.7	Very low	122 Å²	122	147.6 Å²	147.6	85%	0.853	79%	0.792	S	S	*	*			trans	-160.1	142	143	-162.7	0	0	0	0	108.5
28	S	24.1	Very low	24.7	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	78%	0.781	S	S	*	*			trans	-117	173	-174	-60.2	0	0	0	0	110.5
29	Q	27.8	Very low	24.7	Very low	177 Å²	177	141.8 Å²	141.8	83%	0.827	78%	0.777	S	S	*	*			trans	72.8	101.5	176.6	-57.2	158.8	-16.3	0	0	111.5
30	S	21.5	Very low	24.7	Very low	120 Å²	120	142 Å²	142	84%	0.839	77%	0.772	S	S	*	*			cis	71	71.5	27.5	-31.1	0	0	0	0	113.9
31	I	24.6	Very low	24.7	Very low	154 Å²	154	140.8 Å²	140.8	79%	0.79	77%	0.766	S	S	*	*			trans	-121.5	123.1	156.1	-62	179.5	0	0	0	107	I33	I31-I33 HydrophobicContact CG2-CG1 4.2Å
32	K	19.5	Very low	25.1	Very low	191 Å²	191	143.2 Å²	143.2	83%	0.83	77%	0.771	S	S	*	*			trans	-93.7	141.7	163.3	-76.8	-176.4	170.2	-169.9	0	108.1
33	I	26.5	Very low	25.1	Very low	161 Å²	161	143.3 Å²	143.3	83%	0.826	77%	0.766	S	S	*	*			trans	-131.7	144.7	156	-60	-177.9	0	0	0	106.2	I31	I31-I33 HydrophobicContact CG2-CG1 4.2Å
34	E	22.9	Very low	25.2	Very low	175 Å²	175	141.6 Å²	141.6	82%	0.818	76%	0.764	S	S	*	*			trans	-99.3	154.4	-168.4	-66.6	165.6	134.5	0	0	111.7
35	S	26.6	Very low	25.2	Very low	113 Å²	113	142.5 Å²	142.5	79%	0.79	76%	0.761	S	S	*	*			trans	-73.9	158.1	162.9	57.6	0	0	0	0	109.9
36	P	31.8	Very low	25.2	Very low	99 Å²	99	141.5 Å²	141.5	64%	0.643	76%	0.76	S	S	*	*				-154	173.4	86.7	41.4	-23.5	0	0	0	116.7
37	E	25.3	Very low	25.2	Very low	168 Å²	168	139.5 Å²	139.5	79%	0.785	76%	0.756	S	S	*	*			trans	64.5	161.4	147.9	-76.6	158.9	-155.1	0	0	118.8
38	L	25.4	Very low	25.5	Very low	130 Å²	130	142.3 Å²	142.3	68%	0.681	76%	0.756	S	S	*	*			cis	-149.3	120.2	-1	-143.3	130.2	0	0	0	106.1
39	I	23.1	Very low	25.5	Very low	123 Å²	123	144.9 Å²	144.9	63%	0.631	76%	0.761	S	S	*	*				74.3	112.4	91	-83.4	173.3	0	0	0	117
40	Q	23.2	Very low	25.6	Very low	161 Å²	161	142.1 Å²	142.1	75%	0.752	76%	0.756	S	S	*	*			trans	80.8	144	132	-76.8	179.7	-4.3	0	0	126.7
41	L	24.4	Very low	25.7	Very low	126 Å²	126	143.9 Å²	143.9	66%	0.66	75%	0.754	S	S	*	*				105.2	148.6	126.1	-93.9	165.1	0	0	0	122.1	D43	L41-D43 WeakPolarHBondContact CD2-OD2 3.42Å
42	L	31.5	Very low	26.1	Very low	150 Å²	150	142.4 Å²	142.4	79%	0.785	75%	0.752	S	S	*	*			trans	78	109.9	173.9	-49.1	179.3	0	0	0	114.4
43	D	22.8	Very low	26.6	Very low	126 Å²	126	141.4 Å²	141.4	67%	0.674	75%	0.75	S	S	*	*			cis	82.3	144.9	21.3	-46	-64.4	0	0	0	117	L41	L41-D43 WeakPolarHBondContact CD2-OD2 3.42Å
44	C	25	Very low	26.8	Very low	107 Å²	107	140 Å²	140	72%	0.723	75%	0.751	S	S	*	*			trans	74.3	149.8	169.8	-56.5	0	0	0	0	119.3
45	D	25.9	Very low	27.3	Very low	132 Å²	132	138 Å²	138	71%	0.706	75%	0.751	S	S	*	*			cis	-168.3	163.7	-28.6	-96.7	-25.3	0	0	0	110
46	D	25	Very low	27.6	Very low	138 Å²	138	139.4 Å²	139.4	74%	0.738	75%	0.75	S	S	*	*			trans	56	136.3	152	-60.1	-19.8	0	0	0	125.3
47	D	26	Very low	28.2	Very low	157 Å²	157	140 Å²	140	84%	0.84	75%	0.754	S	S	*	*			trans	41.8	117.1	140.8	-64.5	-16.9	0	0	0	123.5
48	E	31.8	Very low	28.6	Very low	182 Å²	182	139.4 Å²	139.4	85%	0.85	76%	0.756	S	S	*	*				-168.3	151.9	91.9	-170.8	165.1	-139	0	0	111.3
49	I	23.8	Very low	29.4	Very low	153 Å²	153	141.4 Å²	141.4	79%	0.785	76%	0.762	S	S	*	*			trans	-102.1	117.5	-179.3	-60.8	173.9	0	0	0	111.1	I51	I49-I51 HydrophobicContact CG2-CG1 4.41Å
50	V	30.6	Very low	30	Very low	119 Å²	119	142.6 Å²	142.6	72%	0.721	77%	0.769	S	S	*	*			trans	-124.3	122.5	166.9	-176.3	0	0	0	0	110.3	V52	V50-V52 HydrophobicContact CG1-CG2 4.26Å
51	I	24.6	Very low	30.7	Very low	156 Å²	156	145.4 Å²	145.4	80%	0.8	77%	0.773	S	S	*	*			trans	-89.9	120.7	178.4	-59.8	171.2	0	0	0	109.2	I49	I49-I51 HydrophobicContact CG2-CG1 4.41Å
52	V	32.4	Very low	31.3	Very low	123 Å²	123	146.8 Å²	146.8	75%	0.745	78%	0.778	S	S	*	*			trans	-128.8	135.5	168.5	-176.7	0	0	0	0	108.3	V50	V50-V52 HydrophobicContact CG1-CG2 4.26Å
53	E	28.8	Very low	31.4	Very low	170 Å²	170	148.1 Å²	148.1	79%	0.794	78%	0.778	S	S	*	*			trans	-71.1	148.8	-178.1	-73.5	-170.3	122.1	0	0	112.6	T55	E53-T55 PolarHBondContact O-N 3.45Å
54	P	32.4	Very low	32.1	Very low	132 Å²	132	150.9 Å²	150.9	86%	0.857	79%	0.787	S	S	*	*			trans	-71.1	123.4	-170.1	27.8	-35	0	0	0	112.7
55	T	33.3	Very low	32.5	Very low	133 Å²	133	153.6 Å²	153.6	82%	0.816	79%	0.789	S	S	*	*			trans	-104.5	145.8	163.1	-54.9	0	0	0	0	108.9	E53	E53-T55 PolarHBondContact O-N 3.45Å
56	D	32.7	Very low	32.9	Very low	142 Å²	142	154.8 Å²	154.8	76%	0.759	80%	0.795	S	S	*	*			trans	-67.6	123.9	-166.6	-137.6	-30	0	0	0	112.7
57	P	43.1	Very low	33.6	Very low	113 Å²	113	154.5 Å²	154.5	73%	0.734	80%	0.798	S	S	*	*			trans	-92.8	12.8	-167.5	36.7	-37.7	0	0	0	116.1	E59	P57-E59 PolarHBondContact O-N 3.2Å
58	D	35.6	Very low	34.4	Very low	154 Å²	154	151.4 Å²	151.4	82%	0.824	79%	0.785	S	S	*	*			trans	-78.4	-7.2	-172.7	-102.9	-3.3	0	0	0	115.4
59	E	41.6	Very low	34.6	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	78%	0.775	S	S	*	*	S	Bend	trans	-78.1	-42.6	-175.2	-85.1	-88.5	114.2	0	0	114.7	P57 R61	P57-E59 PolarHBondContact O-N 3.2Å; E59-R61 PolarHBondContact O-N 3.34Å
60	D	35.9	Very low	35.5	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	24.1	-157.2	-125.3	-23.3	0	0	0	115.5
61	R	37	Very low	36.1	Very low	221 Å²	221	145.5 Å²	145.5	83%	0.834	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	29.4	171.6	-143.9	179.8	69.3	-171.7	-0.5	115.3	E59 K63	E59-R61 PolarHBondContact O-N 3.34Å; R61-K63 PolarHBondContact O-N 3.3Å
62	M	37.2	Very low	37.1	Very low	154 Å²	154	141.2 Å²	141.2	76%	0.759	74%	0.74	S	S	*	*			trans	-88.7	34.4	167.8	-156.3	179.5	-62	0	0	112.6
63	K	34.6	Very low	37.5	Very low	179 Å²	179	140 Å²	140	78%	0.778	73%	0.729	S	S	*	*			trans	-142.5	55.9	-178	-69.9	-178.4	-174.3	150.3	0	112.9	R61	R61-K63 PolarHBondContact O-N 3.3Å
64	Q	36.6	Very low	38.2	Very low	184 Å²	184	137.6 Å²	137.6	86%	0.86	72%	0.716	S	S	*	*			trans	-148.5	73.9	160.1	-112.9	173.8	6.2	0	0	108.3
65	E	33.2	Very low	38.5	Very low	164 Å²	164	139.6 Å²	139.6	77%	0.766	71%	0.711	S	S	*	*			trans	-89.7	174.1	171.5	-62.3	177.6	128	0	0	109.5
66	D	35.2	Very low	38.5	Very low	156 Å²	156	139 Å²	139	83%	0.834	70%	0.699	S	S	*	*			trans	61.1	62.6	171.9	-61.3	-19.2	0	0	0	118.5
67	T	38.2	Very low	38.5	Very low	132 Å²	132	140.3 Å²	140.3	81%	0.81	70%	0.701	S	S	*	*			trans	-120	116.1	144.7	59.1	0	0	0	0	109.7
68	T	43	Very low	38	Very low	93 Å²	93	144 Å²	144	57%	0.571	71%	0.708	S	S	*	*			trans	-82.4	149.6	-170.9	51.1	0	0	0	0	113.1	E70 D71	T68-E70 PolarHBondContact O-N 2.85Å; T68-E70 VanDerWaalsContact O-N 3.11Å; T68-D71 PolarHBondContact O-N 3.39Å
69	C	36.9	Very low	37.5	Very low	95 Å²	95	142 Å²	142	64%	0.642	70%	0.697	S	S	*	*	H	α-helix	trans	-67.8	-15.4	-166.6	-154.4	0	0	0	0	115	L73	C69-L73 PolarHBondContact O-N 3.4Å
70	E	42	Very low	37	Very low	122 Å²	122	143.9 Å²	143.9	57%	0.57	70%	0.699	S	S	*	*	H	α-helix	trans	-68.7	-29.6	178.2	-92.8	-72.8	135.9	0	0	113.6	T68 K74	T68-E70 PolarHBondContact O-N 2.85Å; T68-E70 VanDerWaalsContact O-N 3.11Å; E70-K74 PolarHBondContact O-NZ 3.03Å; E70-K74 IonicContact OE2-NZ 2.63Å; E70-K74 PolarHBondContact OE2-NZ 3.47Å
71	D	44.5	Very low	36.7	Very low	112 Å²	112	142 Å²	142	60%	0.599	69%	0.693	S	S	*	*	H	α-helix	trans	-86.8	-22.6	-178.4	-67.3	-32.9	0	0	0	112.4	T68	T68-D71 PolarHBondContact O-N 3.39Å
72	V	45.2	Very low	36.2	Very low	66 Å²	66	140.8 Å²	140.8	40%	0.4	70%	0.696	S	S	.	*	H	α-helix	trans	-64.6	-50.3	169.4	-177	0	0	0	0	110	K74 K75 E76	V72-K74 VanDerWaalsContact C-N 3.26Å; V72-K74 PolarHBondContact O-N 3.2Å; V72-K75 PolarHBondContact O-N 3.28Å; V72-E76 HydrophobicContact CG1-CG 4.36Å; V72-E76 PolarHBondContact O-N 3.27Å; V72-E76 VanDerWaalsContact O-N 3.13Å
73	L	41.2	Very low	35.7	Very low	98 Å²	98	141.4 Å²	141.4	51%	0.513	70%	0.698	S	S	.	*	H	α-helix	trans	-64.3	-24.9	-175.5	-72	172.1	0	0	0	114.3	C69	C69-L73 PolarHBondContact O-N 3.4Å
74	K	42.6	Very low	35.3	Very low	119 Å²	119	140.1 Å²	140.1	52%	0.517	70%	0.699	S	S	.	*	H	α-helix	trans	-82.4	-24.2	175.7	-65	-175.8	-162.7	75	0	112.9	E70 V72	E70-K74 PolarHBondContact O-NZ 3.03Å; E70-K74 IonicContact OE2-NZ 2.63Å; E70-K74 PolarHBondContact OE2-NZ 3.47Å; V72-K74 VanDerWaalsContact C-N 3.26Å; V72-K74 PolarHBondContact O-N 3.2Å
75	K	38.1	Very low	35	Very low	174 Å²	174	141.9 Å²	141.9	76%	0.757	70%	0.699	S	S	*	*	H	α-helix	trans	-84.8	-31.8	177.7	-155.1	173.5	-175	-178	0	112.7	V72 Q77	V72-K75 PolarHBondContact O-N 3.28Å; K75-Q77 PolarHBondContact O-N 3.15Å
76	E	34.2	Very low	34.6	Very low	120 Å²	120	141.3 Å²	141.3	56%	0.561	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-4.9	176.7	-68.2	-173.7	155.4	0	0	114.7	V72	V72-E76 HydrophobicContact CG1-CG 4.36Å; V72-E76 PolarHBondContact O-N 3.27Å; V72-E76 VanDerWaalsContact O-N 3.13Å
77	Q	33.1	Very low	34.1	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.794	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-8.6	-171.1	-163.8	153.9	56.1	0	0	115.3	K75	K75-Q77 PolarHBondContact O-N 3.15Å
78	E	32	Very low	33.6	Very low	190 Å²	190	143.4 Å²	143.4	89%	0.888	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-3.6	175.9	-66.9	-164.6	149	0	0	114.7
79	D	26	Very low	32.7	Very low	112 Å²	112	146 Å²	146	60%	0.599	71%	0.712	S	S	*	*			trans	-134.7	86.4	170.4	-159.6	5.8	0	0	0	113.2	T81	D79-T81 PolarHBondContact OD1-OG1 3.32Å
80	Y	30.7	Very low	32.5	Very low	213 Å²	213	150.7 Å²	150.7	84%	0.835	73%	0.725	S	S	*	*			trans	-137.2	68.8	153	-100.8	-74.4	0	0	0	107.7
81	T	29.9	Very low	31.8	Very low	107 Å²	107	152.2 Å²	152.2	66%	0.656	74%	0.737	S	S	*	*			trans	-77.8	170	159.6	53.8	0	0	0	0	110.1	D79 E83	D79-T81 PolarHBondContact OD1-OG1 3.32Å; T81-E83 PolarHBondContact O-N 3.34Å
82	E	26.1	Very low	31.1	Very low	196 Å²	196	156.1 Å²	156.1	92%	0.916	75%	0.754	S	S	*	*			trans	-82.4	109.9	-173.2	-65	175.1	135.6	0	0	111
83	E	26.3	Very low	30.2	Very low	168 Å²	168	159.6 Å²	159.6	79%	0.785	77%	0.77	S	S	*	*			trans	-110.9	109.7	164.9	-69.7	-160.6	149.4	0	0	110.6	T81	T81-E83 PolarHBondContact O-N 3.34Å
84	D	26.2	Very low	29.4	Very low	152 Å²	152	158.5 Å²	158.5	81%	0.813	77%	0.771	S	S	*	*			trans	-71.5	127.2	173.9	-79.6	-52.4	0	0	0	111	N86	D84-N86 PolarHBondContact O-N 3.1Å
85	Y	29.8	Very low	28.6	Very low	220 Å²	220	159.8 Å²	159.8	86%	0.863	78%	0.784	S	S	*	*			trans	-81	115.6	171.7	-91.1	-105.4	0	0	0	110.4
86	N	25.2	Very low	28	Very low	152 Å²	152	159.3 Å²	159.3	81%	0.813	78%	0.784	S	S	*	*			trans	-57.3	151.3	-174.3	-72.9	-67	0	0	0	114.9	D84	D84-N86 PolarHBondContact O-N 3.1Å
87	E	25.4	Very low	27.7	Very low	189 Å²	189	158.2 Å²	158.2	88%	0.883	79%	0.789	S	S	*	*			trans	-77.8	137.6	165.5	-65.1	178.4	121.5	0	0	111
88	N	26.8	Very low	27.3	Very low	143 Å²	143	158.3 Å²	158.3	77%	0.765	79%	0.789	S	S	*	*			trans	-150	134.6	153.2	-74.9	-58.4	0	0	0	104.2
89	D	24.6	Very low	26.8	Very low	147 Å²	147	156.7 Å²	156.7	79%	0.786	78%	0.784	S	S	*	*	S	Bend	cis	-126.3	141.6	11.7	-43.5	-74.9	0	0	0	111.7
90	E	32.2	Very low	26.7	Very low	195 Å²	195	160 Å²	160	91%	0.911	79%	0.793	S	S	*	*				174.8	108.2	105	-94.6	-163.1	-165.7	0	0	110.6	M92	E90-M92 PolarHBondContact O-N 3.35Å
91	D	27.8	Very low	26.4	Very low	154 Å²	154	154.6 Å²	154.6	82%	0.824	79%	0.786	S	S	*	*			trans	-70.1	115.7	174.1	-78.7	-64.6	0	0	0	112.4
92	M	28.9	Very low	26	Very low	193 Å²	193	157.9 Å²	157.9	95%	0.951	79%	0.794	S	S	*	*			trans	-130.1	114.1	143.7	-89.9	-63.9	148.7	0	0	110.3	E90	E90-M92 PolarHBondContact O-N 3.35Å
93	N	26.5	Very low	25.8	Very low	139 Å²	139	153.4 Å²	153.4	74%	0.743	79%	0.785	S	S	*	*			trans	-82.3	157.9	-161.1	-168.4	10.7	0	0	0	113.8
94	S	25	Very low	25.7	Very low	76 Å²	76	154.1 Å²	154.1	53%	0.531	79%	0.787	S	S	.	*			trans	51.6	104.8	149.9	60.8	0	0	0	0	118.5
95	N	27.1	Very low	25.4	Very low	146 Å²	146	154 Å²	154	78%	0.781	79%	0.785	S	S	*	*				166.7	145.8	109	-78.5	-26.4	0	0	0	109.3
96	E	25.5	Very low	25.2	Very low	163 Å²	163	149.5 Å²	149.5	76%	0.762	78%	0.783	S	S	*	*			cis	173.3	147.7	-20.4	162.1	170.4	-158.8	0	0	103.5
97	S	27.3	Very low	24.9	Very low	97 Å²	97	148.5 Å²	148.5	68%	0.678	78%	0.782	S	S	*	*			trans	65.7	111.3	164.6	71.3	0	0	0	0	120.9
98	H	23.4	Very low	24.7	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.796	77%	0.772	S	S	*	*				17.6	123.3	130	-71.5	-81.6	0	0	0	121.3
99	M	22.9	Very low	24.5	Very low	156 Å²	156	143.8 Å²	143.8	77%	0.768	77%	0.771	S	S	*	*				167.2	122.5	110.8	-83.8	-54.2	172	0	0	108.8
100	K	24.1	Very low	24.3	Very low	182 Å²	182	144.3 Å²	144.3	79%	0.791	77%	0.772	S	S	*	*				57.5	107.9	89.9	-95.9	-177.5	178	173.3	0	116.6
101	S	23.2	Very low	23.8	Very low	100 Å²	100	142.1 Å²	142.1	70%	0.699	76%	0.759	S	S	*	*			trans	61.1	123.7	140.6	53.6	0	0	0	0	121.7
102	E	22.8	Very low	23.4	Very low	176 Å²	176	141.7 Å²	141.7	82%	0.822	76%	0.756	S	S	*	*			trans	72.5	93.5	138.4	-63.5	-177.3	160.5	0	0	121
103	S	21.7	Very low	23.2	Very low	102 Å²	102	139 Å²	139	71%	0.713	75%	0.746	S	S	*	*				87.4	154.4	121.1	79.3	0	0	0	0	122.2
104	H	23.8	Very low	23	Very low	182 Å²	182	140.9 Å²	140.9	84%	0.843	75%	0.75	S	S	*	*			trans	77.7	151.8	165.5	-73.6	-73.4	0	0	0	121.1
105	I	20.2	Very low	23.3	Very low	150 Å²	150	142.2 Å²	142.2	77%	0.769	76%	0.757	S	S	*	*			trans	-115	139.7	-167.6	-62	157.7	0	0	0	108.7	V107	I105-V107 HydrophobicContact CG2-CG2 4.48Å
106	P	24.5	Very low	23	Very low	126 Å²	126	141.6 Å²	141.6	82%	0.818	76%	0.759	S	S	*	*			trans	-137.5	179.2	134	33.6	-18	0	0	0	113.7
107	V	19	Very low	23	Very low	130 Å²	130	137 Å²	137	79%	0.788	76%	0.755	S	S	*	*			trans	-130.1	145.8	-168.9	173.3	0	0	0	0	110.2	I105	I105-V107 HydrophobicContact CG2-CG2 4.48Å
108	S	21.7	Very low	22.7	Very low	97 Å²	97	138.7 Å²	138.7	68%	0.678	76%	0.756	S	S	*	*				155.7	149.9	129	60.6	0	0	0	0	118.7
109	N	21.5	Very low	22.7	Very low	137 Å²	137	137.8 Å²	137.8	73%	0.733	75%	0.752	S	S	*	*			trans	81.1	122.3	141	-66.9	-11	0	0	0	126.4
110	I	21.4	Very low	22.7	Very low	158 Å²	158	137.1 Å²	137.1	81%	0.81	76%	0.758	S	S	*	*			trans	72.2	149.4	140	-63.9	169.8	0	0	0	116.9
111	K	21.4	Very low	22.5	Very low	148 Å²	148	132.8 Å²	132.8	64%	0.643	76%	0.756	S	S	*	*			cis	-134.8	162.7	5	-142.1	-155.9	161.2	-156.4	0	107.8	D113	K111-D113 IonicContact NZ-OD1 3.21Å; K111-D113 PolarHBondContact NZ-OD1 3.37Å; K111-D113 IonicContact NZ-OD2 3.74Å; K111-D113 PolarHBondContact NZ-OD2 3.2Å
112	L	19.6	Very low	22.4	Very low	146 Å²	146	134.5 Å²	134.5	76%	0.764	76%	0.762	S	S	*	*			cis	87	103	12.1	-133.2	-175.8	0	0	0	118.6
113	D	24.4	Very low	22.2	Very low	137 Å²	137	132.6 Å²	132.6	73%	0.733	76%	0.762	S	S	*	*			trans	-161.8	172.7	155.6	-90.4	-34.4	0	0	0	111.7	K111	K111-D113 IonicContact NZ-OD1 3.21Å; K111-D113 PolarHBondContact NZ-OD1 3.37Å; K111-D113 IonicContact NZ-OD2 3.74Å; K111-D113 PolarHBondContact NZ-OD2 3.2Å
114	E	22.7	Very low	22.2	Very low	177 Å²	177	133.9 Å²	133.9	83%	0.827	77%	0.765	S	S	*	*			trans	-111.3	-168.2	-168.8	-108.7	-172.3	140	0	0	112.8
115	P	30.2	Very low	22.3	Very low	105 Å²	105	131 Å²	131	68%	0.682	76%	0.762	S	S	*	*			cis	-140.8	173.8	7.3	44.5	-25.7	0	0	0	119.2
116	T	21.3	Very low	22.2	Very low	132 Å²	132	130 Å²	130	81%	0.81	76%	0.764	S	S	*	*			trans	23.9	139.1	146	62.4	0	0	0	0	126
117	G	24.9	Very low	22.2	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	77%	0.766	S	S	*	*			trans	122.6	162.1	138.9	0	0	0	0	0	117.9
118	N	22.9	Very low	22.3	Very low	133 Å²	133	130.4 Å²	130.4	71%	0.711	76%	0.763	S	S	*	*				-158.7	162	-74.8	52.1	-57.3	0	0	0	111.5
119	E	23.3	Very low	22.6	Very low	153 Å²	153	132.9 Å²	132.9	72%	0.715	77%	0.773	S	S	*	*			trans	74.8	112.7	153.8	-78.8	163.7	-118.6	0	0	125
120	T	22.1	Very low	22.7	Very low	143 Å²	143	135.4 Å²	135.4	88%	0.877	78%	0.778	S	S	*	*			trans	83	159.2	133.4	62.8	0	0	0	0	122
121	A	19	Very low	23	Very low	91 Å²	91	134 Å²	134	75%	0.752	78%	0.779	S	S	*	*			trans	-139.2	160.6	-169.8	0	0	0	0	0	111.6
122	V	21.6	Very low	23.2	Very low	136 Å²	136	135.2 Å²	135.2	82%	0.824	79%	0.791	S	S	*	*			trans	-137.8	138.1	-180	179	0	0	0	0	110.1	V124	V122-V124 HydrophobicContact CG1-CG2 4.38Å
123	T	18.6	Very low	23.5	Very low	136 Å²	136	131.3 Å²	131.3	83%	0.834	79%	0.786	S	S	*	*			trans	-143.8	113.4	-174.7	-42.1	0	0	0	0	111.7
124	V	22.4	Very low	23.6	Very low	128 Å²	128	133.2 Å²	133.2	78%	0.776	80%	0.795	S	S	*	*			trans	-153.5	167.7	173	-124.1	0	0	0	0	109.9	V122	V122-V124 HydrophobicContact CG1-CG2 4.38Å
125	P	25.4	Very low	24	Very low	121 Å²	121	131.9 Å²	131.9	79%	0.786	79%	0.792	S	S	*	*				-120.6	-173.7	-102.4	42.8	-29.4	0	0	0	115.3
126	T	19.3	Very low	24.2	Very low	131 Å²	131	131.5 Å²	131.5	80%	0.804	79%	0.79	S	S	*	*			trans	-71.6	148.2	178.2	51.8	0	0	0	0	114.8
127	D	23	Very low	25	Very low	161 Å²	161	131.4 Å²	131.4	86%	0.861	78%	0.783	S	S	*	*			trans	-148.2	171.8	148.5	-141.7	-26.9	0	0	0	112.6
128	S	22.2	Very low	25.6	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	78%	0.783	S	S	*	*			trans	-125.3	120.8	-148.3	-49.6	0	0	0	0	116
129	V	27.2	Very low	26.6	Very low	148 Å²	148	133.3 Å²	133.3	90%	0.897	78%	0.778	S	S	*	*			trans	-138.5	147.6	168.8	-172.8	0	0	0	0	111.5
130	K	24.8	Very low	27.3	Very low	190 Å²	190	128.5 Å²	128.5	83%	0.826	77%	0.765	S	S	*	*			trans	-84.2	157	-179.3	-87.1	177.8	177.1	173.7	0	113.3
131	P	25.9	Very low	28.1	Very low	130 Å²	130	126.4 Å²	126.4	84%	0.844	75%	0.747	S	S	*	*			trans	-82.2	151.2	-167.1	33	-37.2	0	0	0	114.6
132	I	27.1	Very low	29.1	Very low	172 Å²	172	128.4 Å²	128.4	88%	0.882	74%	0.741	S	S	*	*			trans	-134.2	141.7	170	-66.3	176	0	0	0	108.6
133	G	25.6	Very low	29.9	Very low	65 Å²	65	127.7 Å²	127.7	67%	0.67	73%	0.732	S	S	*	*			trans	72.2	108.2	148.6	0	0	0	0	0	118.1	L135	G133-L135 PolarHBondContact O-N 2.9Å
134	I	26.5	Very low	30.6	Very low	177 Å²	177	128.5 Å²	128.5	91%	0.908	73%	0.731	S	S	*	*			trans	-67.1	127.1	159	-62.8	162.8	0	0	0	108.1
135	L	30.1	Very low	30.9	Very low	148 Å²	148	128.7 Å²	128.7	78%	0.775	73%	0.727	S	S	*	*			trans	-112	157.6	168.1	-75.5	174.3	0	0	0	111.3	G133	G133-L135 PolarHBondContact O-N 2.9Å
136	P	34.8	Very low	31.2	Very low	97 Å²	97	128.1 Å²	128.1	63%	0.63	72%	0.721	S	S	*	*			trans	-79.4	164.3	-161.4	-16.2	33.5	0	0	0	115.5	N138	P136-N138 VanDerWaalsContact C-N 3.26Å; P136-N138 PolarHBondContact O-N 2.98Å; P136-N138 VanDerWaalsContact O-N 3.1Å
137	L	37.9	Very low	31.7	Very low	130 Å²	130	127 Å²	127	68%	0.681	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-13.8	-167.4	-167.8	63.2	0	0	0	116.1	D139 A140	L137-D139 PolarHBondContact O-N 3.44Å; L137-A140 HydrophobicContact CD1-CB 4.07Å; L137-A140 WeakPolarHBondContact O-CB 3.38Å; L137-A140 PolarHBondContact O-N 2.99Å; L137-A140 VanDerWaalsContact O-N 3.15Å
138	N	37.8	Very low	31.8	Very low	126 Å²	126	125.8 Å²	125.8	67%	0.674	71%	0.71	S	S	*	*	H	α-helix	trans	-61.4	-40	-172.3	-74.7	22.2	0	0	0	113	P136 A140 I141	P136-N138 VanDerWaalsContact C-N 3.26Å; P136-N138 PolarHBondContact O-N 2.98Å; P136-N138 VanDerWaalsContact O-N 3.1Å; N138-A140 PolarHBondContact O-N 3.18Å; N138-I141 PolarHBondContact O-N 2.71Å
139	D	43.5	Very low	32	Very low	113 Å²	113	126.8 Å²	126.8	60%	0.604	71%	0.713	S	S	*	*	H	α-helix	trans	-72.7	-18.4	-178.7	-58.4	-31.8	0	0	0	112.7	L137 I141 N143	L137-D139 PolarHBondContact O-N 3.44Å; D139-I141 VanDerWaalsContact C-N 3.3Å; D139-N143 PolarHBondContact O-ND2 3.41Å
140	A	38.6	Very low	32	Very low	52 Å²	52	128.3 Å²	128.3	43%	0.43	71%	0.71	S	S	.	*	H	α-helix	trans	-74	-20.9	174.4	0	0	0	0	0	112.9	L137 N138	L137-A140 HydrophobicContact CD1-CB 4.07Å; L137-A140 WeakPolarHBondContact O-CB 3.38Å; L137-A140 PolarHBondContact O-N 2.99Å; L137-A140 VanDerWaalsContact O-N 3.15Å; N138-A140 PolarHBondContact O-N 3.18Å
141	I	39.4	Very low	32	Very low	99 Å²	99	122.7 Å²	122.7	51%	0.508	71%	0.707	S	S	.	*	H	α-helix	trans	-81.4	-40.3	-178.4	-61.9	176.2	0	0	0	110.8	N138 D139 N143 L144	N138-I141 PolarHBondContact O-N 2.71Å; D139-I141 VanDerWaalsContact C-N 3.3Å; I141-N143 VanDerWaalsContact C-N 3.32Å; I141-N143 PolarHBondContact O-N 2.9Å; I141-L144 PolarHBondContact O-N 3.13Å
142	Q	39.5	Very low	31.8	Very low	134 Å²	134	121.4 Å²	121.4	63%	0.626	71%	0.707	S	S	*	*	H	α-helix	trans	-64.2	-35.2	178.5	-69.3	-65.7	-8.2	0	0	112.8	L144 L145	Q142-L144 PolarHBondContact O-N 3.31Å; Q142-L145 PolarHBondContact O-N 3.4Å
143	N	38.2	Very low	31.7	Very low	121 Å²	121	117.7 Å²	117.7	65%	0.647	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-2.5	179.6	-75.9	-76.2	0	0	0	114.7	D139 I141	D139-N143 PolarHBondContact O-ND2 3.41Å; I141-N143 VanDerWaalsContact C-N 3.32Å; I141-N143 PolarHBondContact O-N 2.9Å
144	L	32.8	Very low	31.5	Very low	153 Å²	153	120.7 Å²	120.7	80%	0.801	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-0.9	176.5	-82.3	166.6	0	0	0	114	I141 Q142	I141-L144 PolarHBondContact O-N 3.13Å; Q142-L144 PolarHBondContact O-N 3.31Å
145	L	30.2	Very low	31.4	Very low	132 Å²	132	120.1 Å²	120.1	69%	0.691	70%	0.704	S	S	*	*	S	Bend	trans	-108.7	-4.9	-174.3	-93.6	147.6	0	0	0	115	Q142	Q142-L145 PolarHBondContact O-N 3.4Å
146	T	31.6	Very low	31	Very low	108 Å²	108	121.2 Å²	121.2	66%	0.663	71%	0.706	S	S	*	*	S	Bend	trans	-118.9	4.8	-167.6	49.5	0	0	0	0	115.7
147	C	29.5	Very low	30.3	Very low	108 Å²	108	124.1 Å²	124.1	73%	0.73	72%	0.716	S	S	*	*			trans	-113.6	68.6	-176.9	-75.7	0	0	0	0	113.3
148	I	24.2	Very low	29.7	Very low	136 Å²	136	124.4 Å²	124.4	70%	0.697	72%	0.723	S	S	*	*			trans	-110.9	96.5	162.8	-54.7	177.7	0	0	0	109.2	H150	I148-H150 PolarHBondContact O-N 3.41Å
149	P	27.4	Very low	29.1	Very low	123 Å²	123	123.7 Å²	123.7	80%	0.799	73%	0.725	S	S	*	*			trans	-83.9	98.5	165.7	11.3	5.7	0	0	0	109.1	G151	P149-G151 PolarHBondContact O-N 3.12Å
150	H	25.8	Very low	28	Very low	180 Å²	180	126.8 Å²	126.8	83%	0.833	74%	0.741	S	S	*	*			trans	-67.1	124.7	160.6	-80	-96	0	0	0	108.9	I148	I148-H150 PolarHBondContact O-N 3.41Å
151	G	26.4	Very low	27.2	Very low	73 Å²	73	133 Å²	133	75%	0.753	76%	0.761	S	S	*	*			trans	179.3	90.2	179.8	0	0	0	0	0	112.6	P149	P149-G151 PolarHBondContact O-N 3.12Å
152	A	21.3	Very low	26.9	Very low	103 Å²	103	133.3 Å²	133.3	85%	0.851	77%	0.769	S	S	*	*			trans	-80	120.1	175.3	0	0	0	0	0	110.7
153	A	24.4	Very low	26.1	Very low	93 Å²	93	135 Å²	135	77%	0.769	78%	0.781	S	S	*	*			trans	-125.6	83.2	176	0	0	0	0	0	110.5
154	T	21.7	Very low	25.2	Very low	129 Å²	129	136.7 Å²	136.7	79%	0.791	79%	0.789	S	S	*	*			trans	-81.6	115.7	177.2	-41	0	0	0	0	109.9
155	I	24.3	Very low	24.6	Very low	164 Å²	164	134.2 Å²	134.2	84%	0.841	78%	0.784	S	S	*	*			trans	-112.3	139.1	170.2	-62.7	-176.9	0	0	0	109.4
156	Q	22.4	Very low	24.1	Very low	172 Å²	172	132.9 Å²	132.9	80%	0.804	79%	0.786	S	S	*	*			trans	-97.4	162.4	-160.1	-66.2	-177.7	-29.1	0	0	114.5
157	N	20.4	Very low	23.6	Very low	158 Å²	158	136.8 Å²	136.8	85%	0.845	79%	0.794	S	S	*	*			trans	-66.5	141.5	161.1	-59.3	-64.4	0	0	0	111
158	V	23.6	Very low	23.2	Very low	136 Å²	136	139.9 Å²	139.9	82%	0.824	80%	0.8	S	S	*	*			trans	-131.3	129.1	154.7	-179.1	0	0	0	0	108
159	P	25.2	Very low	23.1	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	81%	0.808	S	S	*	*			trans	-99.4	152.6	-172.2	37.1	-34.3	0	0	0	113.7
160	L	22.3	Very low	22.9	Very low	178 Å²	178	139.2 Å²	139.2	93%	0.932	81%	0.811	S	S	*	*			trans	-132.7	146.4	155	-76.7	177.2	0	0	0	110.6
161	Q	20.8	Very low	22.6	Very low	182 Å²	182	136.3 Å²	136.3	85%	0.85	81%	0.811	S	S	*	*			trans	-88.8	163.5	-177.5	-82.1	-76.6	-39.2	0	0	111.6
162	P	33.9	Very low	22.4	Very low	106 Å²	106	142.2 Å²	142.2	69%	0.688	82%	0.819	S	S	*	*			trans	-88.7	158	-154.4	34.6	-37.5	0	0	0	115
163	I	21.7	Very low	22.4	Very low	170 Å²	170	142.7 Å²	142.7	87%	0.872	82%	0.816	S	S	*	*			trans	-124.9	147.4	160.9	-64	-178.9	0	0	0	108.7
164	L	18.9	Very low	22.3	Very low	155 Å²	155	145.7 Å²	145.7	81%	0.812	82%	0.824	S	S	*	*			trans	-79.5	157	-171.2	-75.7	118.4	0	0	0	115
165	S	20.4	Very low	22.1	Very low	101 Å²	101	147.4 Å²	147.4	71%	0.706	82%	0.823	S	S	*	*			trans	81.2	134.3	141	-71.1	0	0	0	0	122.4
166	S	21.1	Very low	21.9	Very low	105 Å²	105	147.6 Å²	147.6	73%	0.734	82%	0.822	S	S	*	*			trans	73.2	100.2	139.6	56.9	0	0	0	0	121.3
167	K	19.9	Very low	22	Very low	189 Å²	189	144.3 Å²	144.3	82%	0.822	82%	0.816	S	S	*	*				59.9	100.1	107	-173.3	-162.9	-177.7	-177.6	0	117.4
168	M	21.8	Very low	21.9	Very low	174 Å²	174	144.5 Å²	144.5	86%	0.857	82%	0.817	S	S	*	*				-163.2	167.6	116.6	-114.3	177.4	167.1	0	0	114
169	N	20.8	Very low	21.9	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	82%	0.818	S	S	*	*			trans	-71.8	150.7	-172.1	-50.2	-20	0	0	0	112.4
170	G	23.4	Very low	21.7	Very low	83 Å²	83	145.3 Å²	145.3	86%	0.856	82%	0.82	S	S	*	*			trans	-172.4	85.3	172.1	0	0	0	0	0	111.7
171	S	20.2	Very low	21.8	Very low	120 Å²	120	142 Å²	142	84%	0.839	81%	0.812	S	S	*	*			trans	-106.8	99.2	-178.9	56.2	0	0	0	0	111.1
172	E	22.5	Very low	21.8	Very low	197 Å²	197	140.1 Å²	140.1	92%	0.921	81%	0.808	S	S	*	*			trans	-121.2	124.9	166.7	-71.1	-165.2	145	0	0	110.4
173	S	20.3	Very low	21.4	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	81%	0.812	S	S	*	*			trans	-102.5	117.6	-178.4	53.2	0	0	0	0	110.4
174	V	23.7	Very low	21.5	Very low	155 Å²	155	140.1 Å²	140.1	94%	0.939	81%	0.808	S	S	*	*			trans	-91.5	114.2	169.9	-178.4	0	0	0	0	109.2
175	Q	17.2	Very low	22	Very low	165 Å²	165	138.6 Å²	138.6	77%	0.771	81%	0.807	S	S	*	*			trans	-118	133.1	179.4	169.7	-171.3	-9.1	0	0	109.2
176	M	20.4	Very low	22.4	Very low	168 Å²	168	138.6 Å²	138.6	83%	0.828	80%	0.802	S	S	*	*			trans	179.8	157.7	156.6	-96.5	-46.9	152	0	0	108.7
177	P	23.1	Very low	22.6	Very low	103 Å²	103	141.5 Å²	141.5	67%	0.669	81%	0.809	S	S	*	*				-125.8	166.8	-61.8	24.6	-4.1	0	0	0	113.2
178	N	19.5	Very low	22.8	Very low	162 Å²	162	142.7 Å²	142.7	87%	0.866	81%	0.809	S	S	*	*			trans	-78.6	142.8	171.9	-71.9	-41.4	0	0	0	112.3
179	V	22.5	Very low	22.9	Very low	139 Å²	139	142.3 Å²	142.3	84%	0.842	81%	0.809	S	S	*	*			trans	-121.7	134	162.1	179.2	0	0	0	0	108.4
180	V	21.4	Very low	23.1	Very low	126 Å²	126	142.4 Å²	142.4	76%	0.764	80%	0.804	S	S	*	*			trans	-106.3	133.3	-172.5	178.6	0	0	0	0	110.3
181	S	24	Very low	22.9	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	80%	0.799	S	S	*	*			trans	-154.5	97	172	-79.3	0	0	0	0	113.6
182	N	22.1	Very low	23.1	Very low	142 Å²	142	143.2 Å²	143.2	76%	0.759	79%	0.794	S	S	*	*			trans	34	110.8	145.6	-60.6	-9.8	0	0	0	121.8
183	T	25	Very low	23.1	Very low	127 Å²	127	140.6 Å²	140.6	78%	0.779	79%	0.791	S	S	*	*				59.5	82	129.7	63.9	0	0	0	0	120.6
184	L	24.4	Very low	23.4	Very low	149 Å²	149	141.1 Å²	141.1	78%	0.78	79%	0.789	S	S	*	*				-160.7	121.5	122.2	-142.7	73.9	0	0	0	111.8	T186	L184-T186 PolarHBondContact O-N 2.85Å; L184-T186 VanDerWaalsContact O-N 3.12Å
185	P	28.9	Very low	23.4	Very low	122 Å²	122	140.8 Å²	140.8	79%	0.792	78%	0.782	S	S	*	*			trans	-87.4	72.2	-178.3	34.5	-34.9	0	0	0	112.7	L187	P185-L187 PolarHBondContact O-N 3.48Å
186	T	27.8	Very low	23.5	Very low	101 Å²	101	138.7 Å²	138.7	62%	0.62	79%	0.786	S	S	*	*			trans	-77.4	115.1	164.3	30.5	0	0	0	0	110.1	L184 W188	L184-T186 PolarHBondContact O-N 2.85Å; L184-T186 VanDerWaalsContact O-N 3.12Å; T186-W188 PolarHBondContact O-N 3.04Å
187	L	25.1	Very low	23.7	Very low	166 Å²	166	137.7 Å²	137.7	87%	0.869	79%	0.789	S	S	*	*			trans	-72.2	77.4	-172.2	-75.3	163.7	0	0	0	113.7	P185 L189	P185-L187 PolarHBondContact O-N 3.48Å; L187-L189 PolarHBondContact O-N 3.22Å
188	W	24.6	Very low	23.7	Very low	215 Å²	215	136.1 Å²	136.1	81%	0.814	79%	0.792	S	S	*	*			trans	-79.7	91.2	167.7	-81.1	80.1	0	0	0	111.2	T186 H190	T186-W188 PolarHBondContact O-N 3.04Å; W188-H190 VanDerWaalsContact C-N 3.32Å; W188-H190 PolarHBondContact O-N 2.99Å
189	L	24.4	Very low	23.8	Very low	166 Å²	166	136.8 Å²	136.8	87%	0.869	79%	0.792	S	S	*	*			trans	-77.8	78.7	170.2	-81	165.4	0	0	0	111	L187	L187-L189 PolarHBondContact O-N 3.22Å
190	H	24.5	Very low	23.8	Very low	162 Å²	162	135.7 Å²	135.7	75%	0.75	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-101.3	123.6	162	-110.2	-95.5	0	0	0	110.2	W188 P192	W188-H190 VanDerWaalsContact C-N 3.32Å; W188-H190 PolarHBondContact O-N 2.99Å; H190-P192 WeakPolarHBondContact O-CD 3.43Å
191	S	20	Very low	23.8	Very low	109 Å²	109	138 Å²	138	76%	0.762	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.4	121.6	-175.3	-53	0	0	0	0	111.8	V193	S191-V193 PolarHBondContact O-N 2.85Å
192	P	24.1	Very low	23.9	Very low	112 Å²	112	138.1 Å²	138.1	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.3	119.6	172.6	31.1	-33.2	0	0	0	109.7	H190 V194	H190-P192 WeakPolarHBondContact O-CD 3.43Å; P192-V194 HydrophobicContact CB-CG2 4.06Å; P192-V194 PolarHBondContact O-N 2.96Å
193	V	22.4	Very low	24	Very low	142 Å²	142	135.9 Å²	135.9	86%	0.861	79%	0.788	S	S	*	*			trans	-77.2	109	167.3	177.2	0	0	0	0	107.4	S191	S191-V193 PolarHBondContact O-N 2.85Å
194	V	25.7	Very low	24	Very low	123 Å²	123	135.9 Å²	135.9	75%	0.745	79%	0.788	S	S	*	*			trans	-129	129.2	177.6	-169.5	0	0	0	0	109.3	P192	P192-V194 HydrophobicContact CB-CG2 4.06Å; P192-V194 PolarHBondContact O-N 2.96Å
195	N	24.4	Very low	24.2	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	79%	0.788	S	S	*	*			trans	-72.6	157.4	179.1	-77.8	-29.8	0	0	0	112.4	T197	N195-T197 PolarHBondContact O-N 2.95Å
196	S	19.7	Very low	24.2	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	77%	0.773	S	S	*	*	S	Bend	trans	-64	114.5	-179.7	-46.7	0	0	0	0	113.4
197	T	23.9	Very low	24.2	Very low	147 Å²	147	134.2 Å²	134.2	90%	0.902	78%	0.779	S	S	*	*			trans	-165.1	148.9	141.1	6.8	0	0	0	0	109.9	N195	N195-T197 PolarHBondContact O-N 2.95Å
198	G	23	Very low	24.7	Very low	70 Å²	70	130.7 Å²	130.7	72%	0.722	76%	0.764	S	S	*	*			trans	-88	129.6	-164.8	0	0	0	0	0	115
199	M	22	Very low	25	Very low	176 Å²	176	125.3 Å²	125.3	87%	0.867	75%	0.752	S	S	*	*			trans	-128	130	152.9	-82.2	-78.3	99	0	0	108.6
200	S	23.1	Very low	25.2	Very low	116 Å²	116	123.3 Å²	123.3	81%	0.811	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-79.6	122.9	-177.5	52.9	0	0	0	0	111.6
201	M	20.4	Very low	25.6	Very low	174 Å²	174	120 Å²	120	86%	0.857	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-73.7	142.7	169.7	-69.1	-67	174.9	0	0	110.9
202	P	25.9	Very low	26.2	Very low	112 Å²	112	117.6 Å²	117.6	73%	0.727	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-71.6	142	-176.2	28.5	-34.8	0	0	0	112.9	V204	P202-V204 PolarHBondContact O-N 3.04Å
203	S	24	Very low	26.5	Very low	95 Å²	95	116.9 Å²	116.9	66%	0.664	71%	0.706	S	S	*	*			trans	-78.5	110.6	179.2	55	0	0	0	0	112.4	N205	S203-N205 PolarHBondContact O-N 3.32Å; S203-N205 VanDerWaalsContact O-N 3.16Å
204	V	25.4	Very low	27.1	Very low	127 Å²	127	115.1 Å²	115.1	77%	0.77	69%	0.69	S	S	*	*			trans	-84.3	86.4	177.3	-166.8	0	0	0	0	110.4	P202 S206	P202-V204 PolarHBondContact O-N 3.04Å; V204-S206 VanDerWaalsContact C-N 3.34Å; V204-S206 PolarHBondContact O-N 2.88Å; V204-S206 VanDerWaalsContact O-N 3.07Å
205	N	28.1	Very low	27.6	Very low	146 Å²	146	114.7 Å²	114.7	78%	0.781	69%	0.688	S	S	*	*			trans	-83.5	61.1	-175	-73.2	-10.7	0	0	0	114.2	S203	S203-N205 PolarHBondContact O-N 3.32Å; S203-N205 VanDerWaalsContact O-N 3.16Å
206	S	29	Very low	27.9	Very low	69 Å²	69	115.2 Å²	115.2	48%	0.483	69%	0.686	S	S	.	*			trans	-175.1	147.3	154.2	53.2	0	0	0	0	111.2	V204	V204-S206 VanDerWaalsContact C-N 3.34Å; V204-S206 PolarHBondContact O-N 2.88Å; V204-S206 VanDerWaalsContact O-N 3.07Å
207	V	28.7	Very low	28.6	Very low	122 Å²	122	116 Å²	116	74%	0.739	68%	0.68	S	S	*	*			trans	-121.7	20.6	176.4	-160.3	0	0	0	0	111.1
208	T	35.3	Very low	29	Very low	92 Å²	92	112.9 Å²	112.9	56%	0.564	66%	0.661	S	S	*	*	S	Bend	trans	-79.5	-27.8	178.9	43.8	0	0	0	0	113.3	T211	T208-T211 PolarHBondContact O-OG1 2.85Å
209	D	30.6	Very low	29.4	Very low	103 Å²	103	113.9 Å²	113.9	55%	0.551	66%	0.663	S	S	*	*	H	α-helix	trans	-90.1	-12.2	-166.4	-62.1	9.6	0	0	0	112.4	S212 N213	D209-S212 PolarHBondContact O-OG 3.28Å; D209-N213 PolarHBondContact O-ND2 3.36Å
210	L	29.5	Very low	30.1	Very low	124 Å²	124	112.7 Å²	112.7	65%	0.649	66%	0.66	S	S	*	*	H	α-helix	trans	-81.9	-31.4	175.7	-169.4	59.8	0	0	0	112.3	I214	L210-I214 WeakPolarHBondContact O-CD1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.16Å
211	T	32.7	Very low	30.6	Very low	93 Å²	93	112 Å²	112	57%	0.571	66%	0.662	S	S	*	*	H	α-helix	trans	-82	-31.5	-179.5	36.3	0	0	0	0	113.4	T208 V215	T208-T211 PolarHBondContact O-OG1 2.85Å; T211-V215 WeakPolarHBondContact O-CG2 3.19Å; T211-V215 PolarHBondContact O-N 3.16Å
212	S	32.6	Very low	31.9	Very low	58 Å²	58	108.6 Å²	108.6	41%	0.406	65%	0.646	S	S	.	*	H	α-helix	trans	-64.9	-46.2	175.6	57	0	0	0	0	112.3	D209 I214 V215 Q216	D209-S212 PolarHBondContact O-OG 3.28Å; S212-I214 VanDerWaalsContact C-N 3.32Å; S212-I214 PolarHBondContact O-N 3.38Å; S212-V215 PolarHBondContact O-N 2.9Å; S212-Q216 PolarHBondContact O-N 3.14Å
213	N	30.9	Very low	33.3	Very low	96 Å²	96	108.1 Å²	108.1	51%	0.513	64%	0.637	S	S	.	*	H	α-helix	trans	-65.1	-30.3	-178	-81.4	-70.6	0	0	0	113.9	D209	D209-N213 PolarHBondContact O-ND2 3.36Å
214	I	34.2	Very low	34.6	Very low	105 Å²	105	108.6 Å²	108.6	54%	0.538	64%	0.638	S	S	.	*	H	α-helix	trans	-72.2	-37.2	176.1	-67.2	170.3	0	0	0	111	L210 S212 T218	L210-I214 WeakPolarHBondContact O-CD1 3.26Å; L210-I214 WeakPolarHBondContact O-CG1 3.16Å; S212-I214 VanDerWaalsContact C-N 3.32Å; S212-I214 PolarHBondContact O-N 3.38Å; I214-T218 PolarHBondContact O-OG1 3.35Å
215	V	35.2	Very low	35.5	Very low	115 Å²	115	108.8 Å²	108.8	70%	0.697	63%	0.634	S	S	*	*	H	α-helix	trans	-73.1	-32.7	-175.8	172.6	0	0	0	0	112.8	T211 S212	T211-V215 WeakPolarHBondContact O-CG2 3.19Å; T211-V215 PolarHBondContact O-N 3.16Å; S212-V215 PolarHBondContact O-N 2.9Å
216	Q	32.2	Very low	36.9	Very low	159 Å²	159	105 Å²	105	74%	0.743	62%	0.616	S	S	*	*	H	α-helix	trans	-81	-28.5	-176.8	-71	-171.7	-20.6	0	0	114.4	S212	S212-Q216 PolarHBondContact O-N 3.14Å
217	N	33	Very low	38.1	Very low	136 Å²	136	103.8 Å²	103.8	73%	0.727	61%	0.61	S	S	*	*	S	Bend	trans	-97.5	8.1	-172.6	-75.2	-38.6	0	0	0	115.4
218	T	33.1	Very low	39.2	Very low	83 Å²	83	100.4 Å²	100.4	51%	0.509	60%	0.596	S	S	.	*			trans	-119.5	43.2	178.3	64.6	0	0	0	0	113.8	I214 N220	I214-T218 PolarHBondContact O-OG1 3.35Å; T218-N220 PolarHBondContact O-N 3.47Å
219	A	31.5	Very low	40.3	Very low	91 Å²	91	99.8 Å²	99.8	75%	0.752	59%	0.592	S	S	*	*			trans	-67.4	-13.6	174.4	0	0	0	0	0	114.2	A221	A219-A221 PolarHBondContact O-N 3.35Å
220	N	36.6	Very low	41.9	Very low	150 Å²	150	99.8 Å²	99.8	80%	0.802	59%	0.591	S	S	*	*	S	Bend	trans	-96.2	87.2	-171.9	-68.6	-8.9	0	0	0	113	T218 L222	T218-N220 PolarHBondContact O-N 3.47Å; N220-L222 PolarHBondContact O-N 3.34Å
221	A	33.9	Very low	43.9	Very low	103 Å²	103	98.2 Å²	98.2	85%	0.851	59%	0.586	S	S	*	*			trans	45.1	51.9	149.3	0	0	0	0	0	118.5	A219	A219-A221 PolarHBondContact O-N 3.35Å
222	L	47.3	Very low	44.7	Very low	102 Å²	102	98.6 Å²	98.6	53%	0.534	59%	0.585	S	S	.	*			trans	-72.7	128.4	164.3	-82.1	166.9	0	0	0	111	N220 V226	N220-L222 PolarHBondContact O-N 3.34Å; L222-V226 HydrophobicContact CD2-CG1 4.28Å
223	N	55.5	Low	45.5	Very low	101 Å²	101	99.4 Å²	99.4	54%	0.54	59%	0.589	S	S	.	*			trans	-58.6	131.5	174.7	179.2	-37.8	0	0	0	110	L225 V226 A227	N223-L225 PolarHBondContact O-N 2.99Å; N223-L225 PolarHBondContact OD1-N 3.14Å; N223-V226 HydrophobicContact CB-CG2 4.36Å; N223-V226 WeakPolarHBondContact O-CB 2.92Å; N223-V226 PolarHBondContact O-N 3.27Å; N223-A227 PolarHBondContact O-N 3.35Å
224	P	50.6	Low	46.1	Very low	105 Å²	105	97.4 Å²	97.4	68%	0.682	59%	0.586	S	S	*	*	H	α-helix	trans	-57.1	-25.7	-174.1	20.8	-33.7	0	0	0	114.4	V226 A227 A228	P224-V226 VanDerWaalsContact C-N 3.33Å; P224-V226 PolarHBondContact O-N 3.16Å; P224-A227 PolarHBondContact O-N 2.88Å; P224-A228 WeakPolarHBondContact O-CB 3.49Å; P224-A228 PolarHBondContact O-N 3.24Å
225	L	44.6	Very low	46.7	Very low	131 Å²	131	95.5 Å²	95.5	69%	0.686	58%	0.58	S	S	*	*	H	α-helix	trans	-64.8	-37.2	174.5	-155.3	99.2	0	0	0	112.1	N223 V229	N223-L225 PolarHBondContact O-N 2.99Å; N223-L225 PolarHBondContact OD1-N 3.14Å; L225-V229 WeakPolarHBondContact O-CG2 3.1Å; L225-V229 PolarHBondContact O-N 2.63Å
226	V	58.7	Low	47.2	Very low	67 Å²	67	94.3 Å²	94.3	41%	0.406	57%	0.572	S	S	.	*	H	α-helix	trans	-71.5	-42.1	178.2	-177.5	0	0	0	0	110.2	L222 N223 P224 A228 V229 L230	L222-V226 HydrophobicContact CD2-CG1 4.28Å; N223-V226 HydrophobicContact CB-CG2 4.36Å; N223-V226 WeakPolarHBondContact O-CB 2.92Å; N223-V226 PolarHBondContact O-N 3.27Å; P224-V226 VanDerWaalsContact C-N 3.33Å; P224-V226 PolarHBondContact O-N 3.16Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 3.13Å; V226-V229 PolarHBondContact O-N 3.17Å; V226-L230 HydrophobicContact CG1-CD1 4.16Å; V226-L230 HydrophobicContact CG1-CG 4.49Å; V226-L230 WeakPolarHBondContact O-CG 3.31Å; V226-L230 PolarHBondContact O-N 2.92Å
227	A	52.7	Low	47.8	Very low	43 Å²	43	91 Å²	91	36%	0.355	56%	0.56	S	S	.	*	H	α-helix	trans	-59.1	-44.7	174	0	0	0	0	0	111.7	N223 P224 V229 L230 V231	N223-A227 PolarHBondContact O-N 3.35Å; P224-A227 PolarHBondContact O-N 2.88Å; A227-V229 PolarHBondContact O-N 3.42Å; A227-L230 PolarHBondContact O-N 2.66Å; A227-V231 WeakPolarHBondContact O-CG2 3.4Å; A227-V231 PolarHBondContact O-N 3.03Å
228	A	51.8	Low	48	Very low	52 Å²	52	90.3 Å²	90.3	43%	0.43	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-39.5	176.1	0	0	0	0	0	112.9	P224 V226 N232	P224-A228 WeakPolarHBondContact O-CB 3.49Å; P224-A228 PolarHBondContact O-N 3.24Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 3.13Å; A228-N232 WeakPolarHBondContact O-CB 3.31Å; A228-N232 VanDerWaalsContact O-CG 3.3Å; A228-N232 PolarHBondContact O-N 3.21Å; A228-N232 PolarHBondContact O-ND2 3.42Å; A228-N232 VanDerWaalsContact O-ND2 3.08Å
229	V	59.5	Low	48.3	Very low	79 Å²	79	91.7 Å²	91.7	48%	0.479	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-43.6	174.3	169.5	0	0	0	0	111.3	L225 V226 A227 N232 C233	L225-V229 WeakPolarHBondContact O-CG2 3.1Å; L225-V229 PolarHBondContact O-N 2.63Å; V226-V229 PolarHBondContact O-N 3.17Å; A227-V229 PolarHBondContact O-N 3.42Å; V229-N232 PolarHBondContact O-N 2.81Å; V229-C233 PolarHBondContact O-N 3.32Å; V229-C233 PolarHBondContact O-SG 3.47Å
230	L	64.2	Low	48.6	Very low	103 Å²	103	90.7 Å²	90.7	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-40.1	178.3	-70.6	172.4	0	0	0	112.5	V226 A227 N232 C233 A234	V226-L230 HydrophobicContact CG1-CD1 4.16Å; V226-L230 HydrophobicContact CG1-CG 4.49Å; V226-L230 WeakPolarHBondContact O-CG 3.31Å; V226-L230 PolarHBondContact O-N 2.92Å; A227-L230 PolarHBondContact O-N 2.66Å; L230-N232 VanDerWaalsContact C-N 3.35Å; L230-C233 PolarHBondContact O-N 3.33Å; L230-A234 WeakPolarHBondContact O-CB 3.41Å; L230-A234 PolarHBondContact O-N 3.05Å
231	V	72	Confident	48.1	Very low	91 Å²	91	89 Å²	89	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-63	-40.6	173.1	170.9	0	0	0	0	111.3	A227 A234 T235	A227-V231 WeakPolarHBondContact O-CG2 3.4Å; A227-V231 PolarHBondContact O-N 3.03Å; V231-A234 PolarHBondContact O-N 3.44Å; V231-T235 WeakPolarHBondContact O-CG2 3.49Å; V231-T235 PolarHBondContact O-N 3.16Å; V231-T235 PolarHBondContact O-OG1 2.63Å
232	N	48.1	Very low	48	Very low	100 Å²	100	90 Å²	90	54%	0.535	52%	0.522	S	S	.	.	H	α-helix	trans	-67.9	-36.4	175.5	-74.4	-34.6	0	0	0	112.8	A228 V229 L230 T235 V236	A228-N232 WeakPolarHBondContact O-CB 3.31Å; A228-N232 VanDerWaalsContact O-CG 3.3Å; A228-N232 PolarHBondContact O-N 3.21Å; A228-N232 PolarHBondContact O-ND2 3.42Å; A228-N232 VanDerWaalsContact O-ND2 3.08Å; V229-N232 PolarHBondContact O-N 2.81Å; L230-N232 VanDerWaalsContact C-N 3.35Å; N232-T235 WeakPolarHBondContact CA-OG1 3.05Å; N232-T235 PolarHBondContact O-OG1 2.98Å; N232-T235 VanDerWaalsContact O-OG1 3.08Å; N232-V236 WeakPolarHBondContact O-CB 3.45Å; N232-V236 VanDerWaalsContact O-CG2 3.25Å; N232-V236 WeakPolarHBondContact O-CG2 3.42Å; N232-V236 PolarHBondContact O-N 3.31Å
233	C	49.7	Very low	47.2	Very low	75 Å²	75	89.3 Å²	89.3	51%	0.507	53%	0.531	S	S	.	.	H	α-helix	trans	-68	-39.5	172.3	-73.6	0	0	0	0	112	V229 L230 V236 N237	V229-C233 PolarHBondContact O-N 3.32Å; V229-C233 PolarHBondContact O-SG 3.47Å; L230-C233 PolarHBondContact O-N 3.33Å; C233-V236 PolarHBondContact O-N 3.3Å; C233-N237 WeakPolarHBondContact O-CB 3.4Å; C233-N237 PolarHBondContact O-N 3.31Å
234	A	43.2	Very low	46.1	Very low	54 Å²	54	87.1 Å²	87.1	45%	0.446	53%	0.532	S	S	.	.	H	α-helix	trans	-64.4	-44.1	176.5	0	0	0	0	0	112	L230 V231 N237 M238	L230-A234 WeakPolarHBondContact O-CB 3.41Å; L230-A234 PolarHBondContact O-N 3.05Å; V231-A234 PolarHBondContact O-N 3.44Å; A234-N237 PolarHBondContact O-N 2.75Å; A234-M238 WeakPolarHBondContact O-CB 3.2Å; A234-M238 WeakPolarHBondContact O-CG 3.46Å; A234-M238 PolarHBondContact O-N 3.2Å
235	T	48	Very low	44.8	Very low	65 Å²	65	86.7 Å²	86.7	40%	0.399	53%	0.532	S	S	.	.	H	α-helix	trans	-67.2	-39.5	176.9	56.3	0	0	0	0	112.3	V231 N232 N237 M238 I239	V231-T235 WeakPolarHBondContact O-CG2 3.49Å; V231-T235 PolarHBondContact O-N 3.16Å; V231-T235 PolarHBondContact O-OG1 2.63Å; N232-T235 WeakPolarHBondContact CA-OG1 3.05Å; N232-T235 PolarHBondContact O-OG1 2.98Å; N232-T235 VanDerWaalsContact O-OG1 3.08Å; T235-N237 VanDerWaalsContact C-N 3.35Å; T235-N237 PolarHBondContact O-N 3.19Å; T235-M238 PolarHBondContact O-N 3.5Å; T235-I239 WeakPolarHBondContact O-CB 3.44Å; T235-I239 WeakPolarHBondContact O-CD1 3.34Å; T235-I239 VanDerWaalsContact O-CG1 3.23Å; T235-I239 WeakPolarHBondContact O-CG1 3.4Å; T235-I239 PolarHBondContact O-N 2.75Å
236	V	45.7	Very low	43.8	Very low	90 Å²	90	88.1 Å²	88.1	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-37.8	173.5	169.7	0	0	0	0	112.1	N232 C233 I239 S240	N232-V236 WeakPolarHBondContact O-CB 3.45Å; N232-V236 VanDerWaalsContact O-CG2 3.25Å; N232-V236 WeakPolarHBondContact O-CG2 3.42Å; N232-V236 PolarHBondContact O-N 3.31Å; C233-V236 PolarHBondContact O-N 3.3Å; V236-I239 PolarHBondContact O-N 3.01Å; V236-S240 WeakPolarHBondContact O-CB 3.22Å; V236-S240 PolarHBondContact O-N 3.07Å; V236-S240 PolarHBondContact O-OG 3.13Å
237	N	43.4	Very low	42.3	Very low	89 Å²	89	90.1 Å²	90.1	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-71.4	-39.9	176.7	-161.9	0.6	0	0	0	111.7	C233 A234 T235 I239 S240 Q241	C233-N237 WeakPolarHBondContact O-CB 3.4Å; C233-N237 PolarHBondContact O-N 3.31Å; A234-N237 PolarHBondContact O-N 2.75Å; T235-N237 VanDerWaalsContact C-N 3.35Å; T235-N237 PolarHBondContact O-N 3.19Å; N237-I239 PolarHBondContact O-N 3.05Å; N237-S240 WeakPolarHBondContact O-CB 3.44Å; N237-S240 PolarHBondContact O-N 3.47Å; N237-S240 VanDerWaalsContact O-N 3.14Å; N237-Q241 WeakPolarHBondContact O-CG 3.47Å; N237-Q241 PolarHBondContact O-N 3.47Å; N237-Q241 PolarHBondContact OD1-NE2 3.07Å
238	M	38	Very low	41	Very low	123 Å²	123	93.9 Å²	93.9	61%	0.606	57%	0.571	S	S	*	*	H	α-helix	trans	-58.9	-45	170.9	-73.6	-88.7	-80.5	0	0	112	A234 T235 S240 Q241 L242	A234-M238 WeakPolarHBondContact O-CB 3.2Å; A234-M238 WeakPolarHBondContact O-CG 3.46Å; A234-M238 PolarHBondContact O-N 3.2Å; T235-M238 PolarHBondContact O-N 3.5Å; M238-S240 VanDerWaalsContact C-N 3.29Å; M238-S240 PolarHBondContact O-N 3.08Å; M238-Q241 PolarHBondContact O-N 2.99Å; M238-L242 WeakPolarHBondContact O-CB 3.45Å; M238-L242 WeakPolarHBondContact O-CG 3.42Å; M238-L242 PolarHBondContact O-N 2.63Å
239	I	38.4	Very low	39.6	Very low	111 Å²	111	96.8 Å²	96.8	57%	0.569	59%	0.586	S	S	*	*	H	α-helix	trans	-62	-38.1	174.6	-70.1	163.3	0	0	0	111	T235 V236 N237 A243	T235-I239 WeakPolarHBondContact O-CB 3.44Å; T235-I239 WeakPolarHBondContact O-CD1 3.34Å; T235-I239 VanDerWaalsContact O-CG1 3.23Å; T235-I239 WeakPolarHBondContact O-CG1 3.4Å; T235-I239 PolarHBondContact O-N 2.75Å; V236-I239 PolarHBondContact O-N 3.01Å; N237-I239 PolarHBondContact O-N 3.05Å; I239-A243 WeakPolarHBondContact O-CB 3.23Å; I239-A243 PolarHBondContact O-N 3.09Å
240	S	38.7	Very low	37.9	Very low	70 Å²	70	100.1 Å²	100.1	49%	0.49	60%	0.599	S	S	.	*	H	α-helix	trans	-68.4	-36.9	177.2	-57.4	0	0	0	0	112.6	V236 N237 M238 A243 G244	V236-S240 WeakPolarHBondContact O-CB 3.22Å; V236-S240 PolarHBondContact O-N 3.07Å; V236-S240 PolarHBondContact O-OG 3.13Å; N237-S240 WeakPolarHBondContact O-CB 3.44Å; N237-S240 PolarHBondContact O-N 3.47Å; N237-S240 VanDerWaalsContact O-N 3.14Å; M238-S240 VanDerWaalsContact C-N 3.29Å; M238-S240 PolarHBondContact O-N 3.08Å; S240-A243 PolarHBondContact O-N 3.21Å; S240-G244 PolarHBondContact O-N 3.43Å; S240-G244 VanDerWaalsContact O-N 3.14Å
241	Q	27	Very low	35.9	Very low	115 Å²	115	100.7 Å²	100.7	54%	0.537	61%	0.607	S	S	.	*	H	α-helix	trans	-75.3	-38.5	176.9	-70	176.1	40	0	0	112.2	N237 M238 A243 G244 S245	N237-Q241 WeakPolarHBondContact O-CG 3.47Å; N237-Q241 PolarHBondContact O-N 3.47Å; N237-Q241 PolarHBondContact OD1-NE2 3.07Å; M238-Q241 PolarHBondContact O-N 2.99Å; Q241-A243 PolarHBondContact O-N 2.8Å; Q241-G244 PolarHBondContact O-N 3.46Å; Q241-S245 VanDerWaalsContact O-CB 3.31Å; Q241-S245 WeakPolarHBondContact O-CB 3.33Å; Q241-S245 PolarHBondContact O-N 3.28Å
242	L	31.3	Very low	33.6	Very low	125 Å²	125	103.7 Å²	103.7	65%	0.654	62%	0.62	S	S	*	*	H	α-helix	trans	-62.2	-30.7	170.6	-73.4	167.7	0	0	0	112.4	M238	M238-L242 WeakPolarHBondContact O-CB 3.45Å; M238-L242 WeakPolarHBondContact O-CG 3.42Å; M238-L242 PolarHBondContact O-N 2.63Å
243	A	30.8	Very low	32.3	Very low	86 Å²	86	104.1 Å²	104.1	71%	0.711	63%	0.63	S	S	*	*	H	α-helix	trans	-77.5	-20.5	172.1	0	0	0	0	0	114	I239 S240 Q241	I239-A243 WeakPolarHBondContact O-CB 3.23Å; I239-A243 PolarHBondContact O-N 3.09Å; S240-A243 PolarHBondContact O-N 3.21Å; Q241-A243 PolarHBondContact O-N 2.8Å
244	G	30.9	Very low	31.1	Very low	55 Å²	55	103.7 Å²	103.7	57%	0.567	64%	0.639	S	S	*	*	H	α-helix	trans	-99.2	-30.1	-177.9	0	0	0	0	0	115.2	S240 Q241 M246	S240-G244 PolarHBondContact O-N 3.43Å; S240-G244 VanDerWaalsContact O-N 3.14Å; Q241-G244 PolarHBondContact O-N 3.46Å; G244-M246 VanDerWaalsContact C-N 3.31Å; G244-M246 PolarHBondContact O-N 3.43Å
245	S	25	Very low	30.1	Very low	97 Å²	97	106.7 Å²	106.7	68%	0.678	65%	0.652	S	S	*	*	S	Bend	trans	-88.4	18.1	-167.7	-166	0	0	0	0	115.2	Q241	Q241-S245 VanDerWaalsContact O-CB 3.31Å; Q241-S245 WeakPolarHBondContact O-CB 3.33Å; Q241-S245 PolarHBondContact O-N 3.28Å
246	M	23.6	Very low	28.8	Very low	160 Å²	160	112.7 Å²	112.7	79%	0.788	68%	0.677	S	S	*	*	S	Bend	trans	-98.8	23	-179.2	-55.5	-58.5	-72.4	0	0	113.2	G244	G244-M246 VanDerWaalsContact C-N 3.31Å; G244-M246 PolarHBondContact O-N 3.43Å
247	C	27.1	Very low	27.7	Very low	109 Å²	109	115.3 Å²	115.3	74%	0.736	69%	0.689	S	S	*	*			trans	-137	77.8	-178.7	-74.3	0	0	0	0	111.7
248	T	24.3	Very low	26.7	Very low	122 Å²	122	114.7 Å²	114.7	75%	0.748	70%	0.703	S	S	*	*			trans	-70.6	132.9	162.8	46.7	0	0	0	0	110	I250	T248-I250 PolarHBondContact O-N 3.19Å; T248-I250 VanDerWaalsContact O-N 3.17Å
249	P	23.2	Very low	25.9	Very low	113 Å²	113	116.1 Å²	116.1	73%	0.734	71%	0.713	S	S	*	*			trans	-75.7	106.6	-176.5	29.6	-34	0	0	0	111.5	V251	P249-V251 HydrophobicContact CB-CG2 4.39Å; P249-V251 PolarHBondContact O-N 3.27Å; P249-V251 VanDerWaalsContact O-N 3.13Å
250	I	23.7	Very low	25.1	Very low	150 Å²	150	116.1 Å²	116.1	77%	0.769	72%	0.718	S	S	*	*			trans	-75.6	98.8	164	-61.7	-179.7	0	0	0	107.5	T248 N252	T248-I250 PolarHBondContact O-N 3.19Å; T248-I250 VanDerWaalsContact O-N 3.17Å; I250-N252 VanDerWaalsContact C-N 3.26Å; I250-N252 PolarHBondContact O-N 2.93Å
251	V	21.8	Very low	24.2	Very low	115 Å²	115	120.3 Å²	120.3	70%	0.697	74%	0.735	S	S	*	*			trans	-77.4	76.2	-178.5	-169.5	0	0	0	0	109.9	P249 S253	P249-V251 HydrophobicContact CB-CG2 4.39Å; P249-V251 PolarHBondContact O-N 3.27Å; P249-V251 VanDerWaalsContact O-N 3.13Å; V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 3.19Å
252	N	23.3	Very low	24	Very low	153 Å²	153	118.4 Å²	118.4	82%	0.818	75%	0.746	S	S	*	*			trans	-77.5	84.6	173.8	-125.2	30.5	0	0	0	109.8	I250 G254	I250-N252 VanDerWaalsContact C-N 3.26Å; I250-N252 PolarHBondContact O-N 2.93Å; N252-G254 VanDerWaalsContact C-N 3.26Å; N252-G254 PolarHBondContact O-N 3.06Å
253	S	20.6	Very low	23.5	Very low	109 Å²	109	118.7 Å²	118.7	76%	0.762	76%	0.759	S	S	*	*			trans	-67.1	79.8	173.7	-66.9	0	0	0	0	111.5	V251	V251-S253 VanDerWaalsContact C-N 3.32Å; V251-S253 PolarHBondContact O-N 3.19Å
254	G	24.3	Very low	23.1	Very low	67 Å²	67	121.6 Å²	121.6	69%	0.691	76%	0.762	S	S	*	*			trans	-92.2	112.8	167.5	0	0	0	0	0	110.4	N252	N252-G254 VanDerWaalsContact C-N 3.26Å; N252-G254 PolarHBondContact O-N 3.06Å
255	V	22.6	Very low	22.7	Very low	117 Å²	117	124.7 Å²	124.7	71%	0.709	77%	0.77	S	S	*	*			trans	-60.4	133.1	-174	178.5	0	0	0	0	111.7	D257	V255-D257 PolarHBondContact O-N 3.38Å
256	M	21.8	Very low	22.4	Very low	190 Å²	190	126.2 Å²	126.2	94%	0.936	77%	0.77	S	S	*	*			trans	-80.5	84.1	165.4	-73.3	-173.6	174.9	0	0	109.9	G258	M256-G258 VanDerWaalsContact C-N 3.25Å; M256-G258 PolarHBondContact O-N 2.91Å
257	D	23.1	Very low	22.4	Very low	146 Å²	146	125.5 Å²	125.5	78%	0.781	77%	0.769	S	S	*	*			trans	-73.3	82.4	169.6	-80.1	-39.9	0	0	0	110.5	V255 N259	V255-D257 PolarHBondContact O-N 3.38Å; D257-N259 VanDerWaalsContact C-N 3.3Å; D257-N259 PolarHBondContact O-N 2.85Å
258	G	20.6	Very low	22	Very low	75 Å²	75	126.4 Å²	126.4	77%	0.773	77%	0.767	S	S	*	*			trans	-73.1	80.4	170.1	0	0	0	0	0	111.1	M256	M256-G258 VanDerWaalsContact C-N 3.25Å; M256-G258 PolarHBondContact O-N 2.91Å
259	N	22.6	Very low	22	Very low	154 Å²	154	127.6 Å²	127.6	82%	0.824	77%	0.769	S	S	*	*			trans	-92.3	133.8	172.5	-160.2	7.8	0	0	0	111.5	D257	D257-N259 VanDerWaalsContact C-N 3.3Å; D257-N259 PolarHBondContact O-N 2.85Å
260	V	20.3	Very low	21.9	Very low	111 Å²	111	129.6 Å²	129.6	67%	0.673	77%	0.773	S	S	*	*			trans	-121	142.6	-171.6	-176.9	0	0	0	0	109.3
261	N	20.3	Very low	21.8	Very low	158 Å²	158	130.5 Å²	130.5	85%	0.845	77%	0.774	S	S	*	*			trans	71	125.8	-175	-54.8	-41.5	0	0	0	114.8
262	G	23.3	Very low	21.8	Very low	75 Å²	75	129.7 Å²	129.7	77%	0.773	77%	0.77	S	S	*	*			trans	-174.8	34.2	-176.1	0	0	0	0	0	113.2	N264	G262-N264 PolarHBondContact O-N 3.42Å
263	S	20.3	Very low	21.6	Very low	131 Å²	131	127.7 Å²	127.7	92%	0.916	77%	0.767	S	S	*	*			trans	-69.9	93.9	178.7	-60.5	0	0	0	0	110.7
264	N	22.1	Very low	21.8	Very low	146 Å²	146	130.5 Å²	130.5	78%	0.781	77%	0.772	S	S	*	*			trans	-142.6	119.9	162.6	-148.1	1.3	0	0	0	114.9	G262	G262-N264 PolarHBondContact O-N 3.42Å
265	V	22.5	Very low	21.5	Very low	120 Å²	120	135.1 Å²	135.1	73%	0.727	78%	0.781	S	S	*	*			trans	4	112.1	154.4	-176	0	0	0	0	117.9
266	N	19.9	Very low	21.5	Very low	129 Å²	129	133.1 Å²	133.1	69%	0.69	78%	0.784	S	S	*	*			trans	0.6	117.9	137	173.9	32.1	0	0	0	116.7	N268	N266-N268 PolarHBondContact OD1-N 3.43Å
267	N	23.1	Very low	21.4	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	78%	0.777	S	S	*	*			trans	-138.9	75.7	160.8	-160.5	8	0	0	0	111.8	N269	N267-N269 PolarHBondContact O-N 3.12Å
268	N	19.1	Very low	21.3	Very low	128 Å²	128	128.8 Å²	128.8	68%	0.684	78%	0.778	S	S	*	*			trans	-64.6	114.5	159.7	-84.4	-10.2	0	0	0	109.6	N266	N266-N268 PolarHBondContact OD1-N 3.43Å
269	N	24.7	Very low	21.3	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	78%	0.777	S	S	*	*			trans	-157.2	133.8	147.4	-101.6	-41.8	0	0	0	111.6	N267	N267-N269 PolarHBondContact O-N 3.12Å
270	N	19.5	Very low	21.2	Very low	154 Å²	154	129.2 Å²	129.2	82%	0.824	78%	0.781	S	S	*	*			trans	-71.7	136	169.8	-70.6	-40.3	0	0	0	109.4
271	H	23.2	Very low	21.4	Very low	170 Å²	170	127.1 Å²	127.1	79%	0.787	78%	0.782	S	S	*	*			trans	-150.8	115	150.9	-117.2	-73.9	0	0	0	113.5
272	T	20.2	Very low	21.4	Very low	98 Å²	98	127.8 Å²	127.8	60%	0.601	79%	0.785	S	S	*	*			trans	30.9	108.3	143.3	55.4	0	0	0	0	119.4
273	S	20.3	Very low	21.4	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	79%	0.785	S	S	*	*				22.1	108.5	126.7	58.9	0	0	0	0	118
274	I	23.6	Very low	21.4	Very low	168 Å²	168	127.8 Å²	127.8	86%	0.862	78%	0.781	S	S	*	*			trans	-110.6	123.7	157.6	-65	179.1	0	0	0	107.8
275	N	18.6	Very low	21.5	Very low	165 Å²	165	126.7 Å²	126.7	88%	0.882	78%	0.779	S	S	*	*			trans	-73.5	130.8	174.5	-77.2	-32.5	0	0	0	110.1
276	G	22.6	Very low	21.4	Very low	75 Å²	75	124.5 Å²	124.5	77%	0.773	78%	0.781	S	S	*	*			trans	-140.8	92.2	173.6	0	0	0	0	0	110.5
277	S	19.8	Very low	21.5	Very low	113 Å²	113	124.5 Å²	124.5	79%	0.79	79%	0.786	S	S	*	*			trans	-63.9	160.5	164.1	48.2	0	0	0	0	109.6
278	V	21.7	Very low	21.5	Very low	132 Å²	132	125 Å²	125	80%	0.8	79%	0.789	S	S	*	*			cis	-149.8	146.7	42.9	169.4	0	0	0	0	110.9
279	S	19.1	Very low	21.6	Very low	106 Å²	106	125.2 Å²	125.2	74%	0.741	79%	0.794	S	S	*	*			trans	-81.4	155.9	170.5	-60.6	0	0	0	0	112.7
280	S	21.6	Very low	21.5	Very low	131 Å²	131	121.1 Å²	121.1	92%	0.916	79%	0.786	S	S	*	*			trans	97	113.4	171.9	-40.5	0	0	0	0	114.8
281	G	23.4	Very low	21.6	Very low	67 Å²	67	120.3 Å²	120.3	69%	0.691	79%	0.787	S	S	*	*			trans	-168.8	29.6	-179.2	0	0	0	0	0	113.9	V283	G281-V283 PolarHBondContact O-N 2.89Å
282	N	21.7	Very low	21.6	Very low	172 Å²	172	117.7 Å²	117.7	92%	0.92	79%	0.788	S	S	*	*			trans	-70	92.3	177.9	-79.1	15.3	0	0	0	110.5
283	V	22.8	Very low	21.7	Very low	126 Å²	126	115.7 Å²	115.7	76%	0.764	79%	0.786	S	S	*	*			trans	-114.5	98.1	163.5	-177.3	0	0	0	0	108	G281 V285	G281-V283 PolarHBondContact O-N 2.89Å; V283-V285 PolarHBondContact O-N 3.22Å
284	G	21	Very low	21.8	Very low	81 Å²	81	118 Å²	118	84%	0.835	79%	0.788	S	S	*	*			trans	-73.4	104.3	175.4	0	0	0	0	0	110.8	G286	G284-G286 PolarHBondContact O-N 3.03Å
285	V	22.6	Very low	21.7	Very low	122 Å²	122	117 Å²	117	74%	0.739	79%	0.785	S	S	*	*			trans	-88.6	94	162	-178.4	0	0	0	0	107.5	V283 V287	V283-V285 PolarHBondContact O-N 3.22Å; V285-V287 HydrophobicContact CG1-CG2 4.32Å; V285-V287 PolarHBondContact O-N 3.37Å
286	G	20.5	Very low	21.8	Very low	75 Å²	75	114.2 Å²	114.2	77%	0.773	77%	0.774	S	S	*	*			trans	-68.1	126.6	172.9	0	0	0	0	0	110.7	G284	G284-G286 PolarHBondContact O-N 3.03Å
287	V	23.2	Very low	21.7	Very low	129 Å²	129	116.9 Å²	116.9	78%	0.782	78%	0.775	S	S	*	*			trans	-124.6	130.5	166.5	-170.3	0	0	0	0	106.8	V285 V289	V285-V287 HydrophobicContact CG1-CG2 4.32Å; V285-V287 PolarHBondContact O-N 3.37Å; V287-V289 PolarHBondContact O-N 3.21Å
288	N	21.5	Very low	21.7	Very low	156 Å²	156	117.1 Å²	117.1	83%	0.834	77%	0.771	S	S	*	*			trans	-59.5	133.1	-160.8	-72.2	-15.2	0	0	0	113.9	G290	N288-G290 PolarHBondContact O-N 3.36Å; N288-G290 VanDerWaalsContact O-N 3.09Å
289	V	22.6	Very low	21.7	Very low	132 Å²	132	117.4 Å²	117.4	80%	0.8	77%	0.767	S	S	*	*			trans	-63.7	107.5	157.9	176.4	0	0	0	0	107.5	V287 V291	V287-V289 PolarHBondContact O-N 3.21Å; V289-V291 PolarHBondContact O-N 3.39Å; V289-V291 VanDerWaalsContact O-N 3.08Å
290	G	21.3	Very low	21.7	Very low	61 Å²	61	117.8 Å²	117.8	63%	0.629	77%	0.767	S	S	*	*			trans	-68.9	102.1	174.2	0	0	0	0	0	110.3	N288 S292	N288-G290 PolarHBondContact O-N 3.36Å; N288-G290 VanDerWaalsContact O-N 3.09Å; G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 2.75Å
291	V	22.2	Very low	21.8	Very low	138 Å²	138	117.6 Å²	117.6	84%	0.836	76%	0.761	S	S	*	*			trans	-74.5	80	177	-172.4	0	0	0	0	109.4	V289 G293	V289-V291 PolarHBondContact O-N 3.39Å; V289-V291 VanDerWaalsContact O-N 3.08Å; V291-G293 PolarHBondContact O-N 3.12Å
292	S	23.2	Very low	21.8	Very low	115 Å²	115	118.9 Å²	118.9	80%	0.804	77%	0.765	S	S	*	*			trans	-86.7	99.3	-177.7	47.5	0	0	0	0	112.4	G290	G290-S292 VanDerWaalsContact C-N 3.26Å; G290-S292 PolarHBondContact O-N 2.75Å
293	G	22.2	Very low	21.8	Very low	55 Å²	55	116.1 Å²	116.1	57%	0.567	76%	0.759	S	S	*	*			trans	52.5	89.8	152.8	0	0	0	0	0	117.3	V291 N295	V291-G293 PolarHBondContact O-N 3.12Å; G293-N295 PolarHBondContact O-N 3.27Å
294	I	22.8	Very low	22	Very low	158 Å²	158	117.6 Å²	117.6	81%	0.81	76%	0.762	S	S	*	*			trans	-64.6	102.4	153.4	-57	174.5	0	0	0	106.7	T296	I294-T296 HydrophobicContact CG2-CG2 4.04Å; I294-T296 PolarHBondContact O-N 3.09Å
295	N	21.8	Very low	22.3	Very low	149 Å²	149	121.2 Å²	121.2	80%	0.797	76%	0.761	S	S	*	*			trans	-71.6	81	174.5	-79.1	-19	0	0	0	109.8	G293 V297	G293-N295 PolarHBondContact O-N 3.27Å; N295-V297 PolarHBondContact O-N 3.42Å
296	T	20.5	Very low	22.7	Very low	106 Å²	106	120.9 Å²	120.9	65%	0.65	76%	0.761	S	S	*	*			trans	-65	100.7	170.2	49.4	0	0	0	0	109	I294 T298	I294-T296 HydrophobicContact CG2-CG2 4.04Å; I294-T296 PolarHBondContact O-N 3.09Å; T296-T298 PolarHBondContact O-N 3.25Å; T296-T298 PolarHBondContact O-OG1 3.07Å
297	V	20.5	Very low	22.9	Very low	130 Å²	130	125 Å²	125	79%	0.788	77%	0.765	S	S	*	*			trans	-72.4	82	174.4	-177.1	0	0	0	0	108.9	N295 I299	N295-V297 PolarHBondContact O-N 3.42Å; V297-I299 PolarHBondContact O-N 3.39Å; V297-I299 VanDerWaalsContact O-N 3.15Å
298	T	20	Very low	23	Very low	118 Å²	118	126.8 Å²	126.8	72%	0.724	77%	0.77	S	S	*	*			trans	-68.6	106	173.4	-49	0	0	0	0	108.7	T296 P300	T296-T298 PolarHBondContact O-N 3.25Å; T296-T298 PolarHBondContact O-OG1 3.07Å; T298-P300 VanDerWaalsContact O-CD 3.3Å; T298-P300 WeakPolarHBondContact O-CD 3.45Å
299	I	20.8	Very low	23.1	Very low	138 Å²	138	127.9 Å²	127.9	71%	0.708	78%	0.775	S	S	*	*			trans	-70.1	117.6	178.4	-59.1	174.1	0	0	0	108.4	V297 T301	V297-I299 PolarHBondContact O-N 3.39Å; V297-I299 VanDerWaalsContact O-N 3.15Å; I299-T301 PolarHBondContact O-N 3Å; I299-T301 VanDerWaalsContact O-N 3.15Å
300	P	20.3	Very low	23.2	Very low	114 Å²	114	126.7 Å²	126.7	74%	0.74	77%	0.772	S	S	*	*			trans	-74.9	108	178.7	30.3	-33.1	0	0	0	109.9	T298 A302	T298-P300 VanDerWaalsContact O-CD 3.3Å; T298-P300 WeakPolarHBondContact O-CD 3.45Å; P300-A302 VanDerWaalsContact C-N 3.3Å; P300-A302 PolarHBondContact O-N 2.82Å
301	T	22.1	Very low	23.4	Very low	128 Å²	128	128.1 Å²	128.1	79%	0.785	78%	0.778	S	S	*	*			trans	-70.3	86.2	168.9	50.4	0	0	0	0	109.6	I299 S303	I299-T301 PolarHBondContact O-N 3Å; I299-T301 VanDerWaalsContact O-N 3.15Å; T301-S303 PolarHBondContact O-N 3.11Å; T301-S303 VanDerWaalsContact O-N 3.14Å
302	A	23.6	Very low	23.6	Very low	93 Å²	93	128.2 Å²	128.2	77%	0.769	77%	0.772	S	S	*	*			trans	-70.8	103.6	177.4	0	0	0	0	0	110.8	P300 L304	P300-A302 VanDerWaalsContact C-N 3.3Å; P300-A302 PolarHBondContact O-N 2.82Å; A302-L304 PolarHBondContact O-N 3.34Å
303	S	23.1	Very low	23.7	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	77%	0.767	S	S	*	*			trans	-68.7	112.5	-174.5	-53.5	0	0	0	0	113.2	T301	T301-S303 PolarHBondContact O-N 3.11Å; T301-S303 VanDerWaalsContact O-N 3.14Å
304	L	26.4	Very low	23.9	Very low	156 Å²	156	133.9 Å²	133.9	82%	0.817	79%	0.786	S	S	*	*			trans	-132.7	93.1	166.8	-85.7	172.1	0	0	0	111.5	A302	A302-L304 PolarHBondContact O-N 3.34Å
305	L	27.1	Very low	24.1	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	78%	0.781	S	S	*	*			trans	55	126	170.2	-65.2	98.3	0	0	0	119
306	P	30.5	Very low	24.3	Very low	115 Å²	115	129.6 Å²	129.6	75%	0.747	78%	0.776	S	S	*	*			trans	-85.4	143	166.7	35.2	-32.3	0	0	0	111.6
307	N	24.9	Very low	24.4	Very low	161 Å²	161	135.5 Å²	135.5	86%	0.861	79%	0.789	S	S	*	*			trans	172.1	89	141.5	-92.1	-24.1	0	0	0	112
308	L	25.7	Very low	24.6	Very low	168 Å²	168	137 Å²	137	88%	0.88	79%	0.791	S	S	*	*			trans	176.7	69.3	143.5	-101.6	158.4	0	0	0	110.6
309	L	22.6	Very low	24.8	Very low	179 Å²	179	137.7 Å²	137.7	94%	0.937	80%	0.8	S	S	*	*			trans	-99.1	72	176.8	-159.7	83.6	0	0	0	111.3
310	S	26.4	Very low	24.8	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	80%	0.802	S	S	*	*			trans	-179	94.7	162.3	42.6	0	0	0	0	114.4
311	A	25.6	Very low	25	Very low	91 Å²	91	136.9 Å²	136.9	75%	0.752	81%	0.807	S	S	*	*	S	Bend	trans	-178.1	143.7	147.3	0	0	0	0	0	111.9
312	I	25.5	Very low	24.9	Very low	140 Å²	140	134.5 Å²	134.5	72%	0.718	81%	0.808	S	S	*	*			trans	57.4	96	160.1	-54.4	159	0	0	0	116.1
313	P	26.1	Very low	25	Very low	105 Å²	105	137.7 Å²	137.7	68%	0.682	81%	0.811	S	S	*	*			trans	-64.7	144.8	159.6	29.4	-34.4	0	0	0	111	S315	P313-S315 VanDerWaalsContact C-N 3.31Å; P313-S315 PolarHBondContact O-N 3.48Å
314	L	25.1	Very low	24.9	Very low	185 Å²	185	139.9 Å²	139.9	97%	0.969	81%	0.814	S	S	*	*	S	Bend	trans	-82.1	61.3	-166.9	-162.6	74	0	0	0	113.7
315	S	26.8	Very low	24.7	Very low	101 Å²	101	139 Å²	139	71%	0.706	82%	0.815	S	S	*	*			trans	-113.2	-0.7	-175.1	61.8	0	0	0	0	115.7	P313	P313-S315 VanDerWaalsContact C-N 3.31Å; P313-S315 PolarHBondContact O-N 3.48Å
316	T	26	Very low	24.5	Very low	115 Å²	115	137.6 Å²	137.6	71%	0.706	82%	0.819	S	S	*	*	S	Bend	trans	-111.7	29.2	-162.1	-26.1	0	0	0	0	115.4
317	Y	23.8	Very low	24	Very low	231 Å²	231	135.6 Å²	135.6	91%	0.906	82%	0.819	S	S	*	*	S	Bend	trans	-139.8	32.1	179.4	-132.5	-88.5	0	0	0	116.6
318	I	24.9	Very low	23.8	Very low	162 Å²	162	131.3 Å²	131.3	83%	0.831	81%	0.813	S	S	*	*			trans	-130.2	100.8	162.1	-54.7	-179.5	0	0	0	109.1
319	S	22.7	Very low	23.6	Very low	131 Å²	131	130.7 Å²	130.7	92%	0.916	81%	0.809	S	S	*	*			trans	-152.7	94.5	171.3	-72	0	0	0	0	107.8
320	G	21.9	Very low	23.5	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	80%	0.803	S	S	*	*	S	Bend	trans	173.9	2.2	-170.8	0	0	0	0	0	118
321	L	24.8	Very low	23.2	Very low	162 Å²	162	130.5 Å²	130.5	85%	0.848	80%	0.804	S	S	*	*			trans	-136.2	115.5	168.2	-72.9	176.6	0	0	0	109.1	L323	L321-L323 PolarHBondContact O-N 2.78Å
322	G	20.3	Very low	23.1	Very low	78 Å²	78	131.1 Å²	131.1	80%	0.804	80%	0.803	S	S	*	*			trans	-71.3	114.6	171.3	0	0	0	0	0	110
323	L	24.5	Very low	23.1	Very low	160 Å²	160	129 Å²	129	84%	0.838	80%	0.798	S	S	*	*			trans	-110.1	125.1	166.7	-77.2	170.8	0	0	0	108.4	L321	L321-L323 PolarHBondContact O-N 2.78Å
324	N	21.9	Very low	22.9	Very low	161 Å²	161	130.8 Å²	130.8	86%	0.861	80%	0.801	S	S	*	*			trans	-67.7	144.8	-175	-57.5	-0.7	0	0	0	110.3	S326	N324-S326 PolarHBondContact O-N 3.33Å
325	T	21.7	Very low	22.7	Very low	138 Å²	138	128.9 Å²	128.9	85%	0.847	79%	0.792	S	S	*	*	S	Bend	trans	-70	121.5	-164.9	48.1	0	0	0	0	114.9
326	S	22.6	Very low	22.5	Very low	127 Å²	127	132.4 Å²	132.4	89%	0.888	80%	0.802	S	S	*	*			trans	177.7	142.2	132.5	37.4	0	0	0	0	110.5	N324	N324-S326 PolarHBondContact O-N 3.33Å
327	G	20.9	Very low	22.3	Very low	73 Å²	73	131.6 Å²	131.6	75%	0.753	80%	0.8	S	S	*	*			trans	93.4	61.7	-176.8	0	0	0	0	0	114.4	I329	G327-I329 PolarHBondContact O-N 2.86Å
328	G	20.3	Very low	22.1	Very low	72 Å²	72	127.8 Å²	127.8	74%	0.742	80%	0.796	S	S	*	*			trans	-69.4	122.4	174.7	0	0	0	0	0	112.1	I330	G328-I330 PolarHBondContact O-N 2.82Å; G328-I330 VanDerWaalsContact O-N 3.16Å
329	I	21	Very low	21.9	Very low	154 Å²	154	127 Å²	127	79%	0.79	80%	0.798	S	S	*	*			trans	-79.7	95.1	173.7	-51.4	178.6	0	0	0	108.4	G327 T331	G327-I329 PolarHBondContact O-N 2.86Å; I329-T331 HydrophobicContact CG2-CG2 3.89Å; I329-T331 PolarHBondContact O-N 2.88Å; I329-T331 VanDerWaalsContact O-N 3.1Å
330	I	20.5	Very low	21.7	Very low	158 Å²	158	124.2 Å²	124.2	81%	0.81	79%	0.79	S	S	*	*			trans	-79.1	89.8	175.1	-55.5	177.3	0	0	0	108.9	G328 S332	G328-I330 PolarHBondContact O-N 2.82Å; G328-I330 VanDerWaalsContact O-N 3.16Å; I330-S332 PolarHBondContact O-N 2.68Å
331	T	20.9	Very low	21.7	Very low	124 Å²	124	127.6 Å²	127.6	76%	0.761	80%	0.796	S	S	*	*			trans	-82.5	87.3	169.5	55.7	0	0	0	0	110.4	I329	I329-T331 HydrophobicContact CG2-CG2 3.89Å; I329-T331 PolarHBondContact O-N 2.88Å; I329-T331 VanDerWaalsContact O-N 3.1Å
332	S	23	Very low	21.5	Very low	104 Å²	104	123.7 Å²	123.7	73%	0.727	79%	0.787	S	S	*	*			trans	-91.7	130.9	164.5	-164	0	0	0	0	109.7	I330	I330-S332 PolarHBondContact O-N 2.68Å
333	P	25.9	Very low	21.5	Very low	95 Å²	95	127.2 Å²	127.2	62%	0.617	79%	0.787	S	S	*	*			trans	-90.9	167.6	-174	36.6	-36.5	0	0	0	113.7
334	N	21.5	Very low	21.4	Very low	142 Å²	142	126.2 Å²	126.2	76%	0.759	79%	0.788	S	S	*	*			trans	78.1	122	165.1	-50.3	-36.1	0	0	0	117.8
335	N	21.2	Very low	21.3	Very low	145 Å²	145	124.4 Å²	124.4	78%	0.775	78%	0.783	S	S	*	*			trans	25.2	115.7	137.5	-50	-14.5	0	0	0	118.5
336	L	21.7	Very low	21.2	Very low	175 Å²	175	124.6 Å²	124.6	92%	0.916	78%	0.783	S	S	*	*				-167.2	163.4	116.1	-100.3	156.9	0	0	0	111.3
337	C	21.9	Very low	21	Very low	98 Å²	98	122.6 Å²	122.6	66%	0.662	77%	0.769	S	S	*	*			trans	-89.2	163.9	-165.3	50	0	0	0	0	115.4
338	D	19.5	Very low	21	Very low	152 Å²	152	124.9 Å²	124.9	81%	0.813	77%	0.774	S	S	*	*			trans	32.7	103.7	148.3	-58.6	-49.1	0	0	0	120.4
339	V	21.1	Very low	21.1	Very low	144 Å²	144	126.6 Å²	126.6	87%	0.873	78%	0.781	S	S	*	*				-145.4	133	129.2	-179.9	0	0	0	0	108.4
340	G	18.3	Very low	21.1	Very low	74 Å²	74	123.5 Å²	123.5	76%	0.763	78%	0.778	S	S	*	*			trans	-107.1	136	174.1	0	0	0	0	0	113.1
341	V	22.7	Very low	21.2	Very low	144 Å²	144	122.3 Å²	122.3	87%	0.873	78%	0.778	S	S	*	*			trans	-139.6	143.9	164.6	-178	0	0	0	0	108.3
342	A	19.5	Very low	21.3	Very low	79 Å²	79	124.5 Å²	124.5	65%	0.653	79%	0.785	S	S	*	*			trans	-98.2	158.4	-171.2	0	0	0	0	0	114.5
343	N	21.3	Very low	21.3	Very low	152 Å²	152	127.4 Å²	127.4	81%	0.813	79%	0.792	S	S	*	*			trans	45.6	95.6	151.4	-63	-8.3	0	0	0	119
344	T	21.4	Very low	21.2	Very low	140 Å²	140	129.3 Å²	129.3	86%	0.859	80%	0.797	S	S	*	*			trans	-120.2	112	146.4	41.2	0	0	0	0	110.1
345	V	19.6	Very low	21.3	Very low	123 Å²	123	128.7 Å²	128.7	75%	0.745	80%	0.799	S	S	*	*			trans	-84.7	120.4	177.4	177.1	0	0	0	0	109
346	V	20.7	Very low	21.6	Very low	142 Å²	142	129 Å²	129	86%	0.861	80%	0.801	S	S	*	*			trans	-101.1	96.3	168.4	-177.5	0	0	0	0	108.7
347	S	18.9	Very low	21.6	Very low	84 Å²	84	128 Å²	128	59%	0.587	80%	0.796	S	S	*	*			trans	-78.7	162.6	171.6	-61.2	0	0	0	0	111.7
348	S	21.2	Very low	21.7	Very low	121 Å²	121	131.6 Å²	131.6	85%	0.846	81%	0.807	S	S	*	*			trans	74.5	95.1	157.2	-49.9	0	0	0	0	118.6
349	A	21.4	Very low	22	Very low	109 Å²	109	129.3 Å²	129.3	90%	0.901	80%	0.803	S	S	*	*			trans	-157.5	139.6	131.2	0	0	0	0	0	109.9
350	A	21.9	Very low	22	Very low	88 Å²	88	126.1 Å²	126.1	73%	0.727	80%	0.799	S	S	*	*			trans	-97.3	173.7	179.3	0	0	0	0	0	112.2
351	T	22.3	Very low	22.2	Very low	133 Å²	133	130 Å²	130	82%	0.816	80%	0.801	S	S	*	*			trans	55.3	90.7	162.3	55.1	0	0	0	0	117.7
352	L	22.4	Very low	22.2	Very low	171 Å²	171	130.4 Å²	130.4	90%	0.895	80%	0.797	S	S	*	*			trans	-137.4	72.2	149.5	-116.9	149.1	0	0	0	110.4	N354	L352-N354 VanDerWaalsContact C-N 3.26Å; L352-N354 PolarHBondContact O-N 2.82Å
353	N	22.1	Very low	22.3	Very low	164 Å²	164	131.9 Å²	131.9	88%	0.877	80%	0.798	S	S	*	*			trans	-80.1	70.5	-178.9	-161.1	7.7	0	0	0	110.5
354	N	23.6	Very low	22.4	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	79%	0.789	S	S	*	*			trans	-148.2	106.2	174.4	-139.4	-16.8	0	0	0	112.5	L352 N356	L352-N354 VanDerWaalsContact C-N 3.26Å; L352-N354 PolarHBondContact O-N 2.82Å; N354-N356 VanDerWaalsContact C-N 3.35Å; N354-N356 PolarHBondContact O-N 3.41Å
355	T	25.5	Very low	22.7	Very low	129 Å²	129	129.1 Å²	129.1	79%	0.791	79%	0.789	S	S	*	*	S	Bend	trans	-79.6	74.8	-175.6	51.8	0	0	0	0	112.1
356	N	26.1	Very low	22.9	Very low	153 Å²	153	127.7 Å²	127.7	82%	0.818	78%	0.784	S	S	*	*	S	Bend	trans	-172.2	58.7	159.5	-92.6	-29.5	0	0	0	111.9	N354	N354-N356 VanDerWaalsContact C-N 3.35Å; N354-N356 PolarHBondContact O-N 3.41Å
357	N	22.5	Very low	23	Very low	152 Å²	152	128.8 Å²	128.8	81%	0.813	79%	0.785	S	S	*	*			trans	-173.3	100.3	154.5	-95.8	-21.6	0	0	0	109	S359	N357-S359 PolarHBondContact O-N 2.79Å
358	I	24.6	Very low	23.4	Very low	174 Å²	174	131.1 Å²	131.1	89%	0.892	80%	0.796	S	S	*	*			trans	-88.5	89.2	169.4	-58.8	175.2	0	0	0	107	G360	I358-G360 PolarHBondContact O-N 2.84Å
359	S	24.5	Very low	23.6	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-60.2	129.8	166.2	-61.5	0	0	0	0	108.8	N357 I361	N357-S359 PolarHBondContact O-N 2.79Å; S359-I361 PolarHBondContact O-N 3.37Å
360	G	21.4	Very low	23.7	Very low	77 Å²	77	135.3 Å²	135.3	79%	0.794	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.4	122.2	-170.6	0	0	0	0	0	112.9	I358	I358-G360 PolarHBondContact O-N 2.84Å
361	I	22.1	Very low	23.7	Very low	155 Å²	155	137.8 Å²	137.8	80%	0.795	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.3	123.7	164.6	-62.7	176.4	0	0	0	107.7	S359 V363	S359-I361 PolarHBondContact O-N 3.37Å; I361-V363 PolarHBondContact O-N 3.06Å
362	L	22.2	Very low	23.7	Very low	152 Å²	152	136.8 Å²	136.8	80%	0.796	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-71.1	121.6	178.6	178.9	64.6	0	0	0	110.5	T364	L362-T364 HydrophobicContact CD1-CG2 4.32Å
363	V	21.6	Very low	23.6	Very low	110 Å²	110	134.1 Å²	134.1	67%	0.667	77%	0.772	S	S	*	*			trans	-129.8	108.8	169.4	-179.1	0	0	0	0	108.1	I361	I361-V363 PolarHBondContact O-N 3.06Å
364	T	24.9	Very low	23.5	Very low	102 Å²	102	131.5 Å²	131.5	63%	0.626	77%	0.766	S	S	*	*			trans	-84	126.6	176.9	43.3	0	0	0	0	110.6	L362 S366	L362-T364 HydrophobicContact CD1-CG2 4.32Å; T364-S366 PolarHBondContact O-N 3.37Å
365	P	27.5	Very low	23.4	Very low	133 Å²	133	132.3 Å²	132.3	86%	0.864	77%	0.77	S	S	*	*			trans	-87.1	91.8	-172.1	33.5	-34.7	0	0	0	112.4
366	S	23.1	Very low	23.1	Very low	93 Å²	93	130.8 Å²	130.8	65%	0.65	77%	0.765	S	S	*	*			trans	-147.5	101.2	172	56.5	0	0	0	0	112.4	T364	T364-S366 PolarHBondContact O-N 3.37Å
367	N	24	Very low	22.9	Very low	164 Å²	164	129.1 Å²	129.1	88%	0.877	77%	0.765	S	S	*	*	S	Bend	trans	41	80.5	157	-59	-3.1	0	0	0	119.2
368	V	25.8	Very low	22.9	Very low	134 Å²	134	128.9 Å²	128.9	81%	0.812	76%	0.764	S	S	*	*				-144.4	143.2	124	-151.4	0	0	0	0	109.1
369	E	27.2	Very low	22.9	Very low	173 Å²	173	132.2 Å²	132.2	81%	0.808	77%	0.765	S	S	*	*	S	Bend	trans	-69.5	152.4	161.6	-61.4	174.8	133.9	0	0	109.5
370	N	22.9	Very low	23	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	77%	0.765	S	S	*	*			trans	65.6	71.7	-179.7	-51	-46.8	0	0	0	116.4	T372	N370-T372 VanDerWaalsContact C-N 3.27Å; N370-T372 PolarHBondContact O-N 3.17Å
371	I	22.1	Very low	23.3	Very low	140 Å²	140	135 Å²	135	72%	0.718	77%	0.772	S	S	*	*			trans	-73.9	86.5	154	-57.9	179	0	0	0	108.3	V373	I371-V373 HydrophobicContact CG2-CG2 4.33Å; I371-V373 PolarHBondContact O-N 3.27Å
372	T	21.1	Very low	23.6	Very low	113 Å²	113	132.6 Å²	132.6	69%	0.693	77%	0.769	S	S	*	*			trans	-74.4	102.9	170	47.3	0	0	0	0	109.9	N370 S374	N370-T372 VanDerWaalsContact C-N 3.27Å; N370-T372 PolarHBondContact O-N 3.17Å; T372-S374 PolarHBondContact O-N 3.38Å
373	V	21.1	Very low	23.8	Very low	115 Å²	115	133.9 Å²	133.9	70%	0.697	77%	0.771	S	S	*	*			trans	-74.3	93	170	-176.2	0	0	0	0	108.6	I371 L375	I371-V373 HydrophobicContact CG2-CG2 4.33Å; I371-V373 PolarHBondContact O-N 3.27Å; V373-L375 HydrophobicContact CG1-CD1 4.12Å; V373-L375 PolarHBondContact O-N 3.21Å
374	S	19.4	Very low	24.1	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	78%	0.777	S	S	*	*			trans	-69.3	89.2	174.4	-60.6	0	0	0	0	110.8	T372 S376	T372-S374 PolarHBondContact O-N 3.38Å; S374-S376 PolarHBondContact O-N 3.49Å
375	L	21	Very low	24.1	Very low	153 Å²	153	137.1 Å²	137.1	80%	0.801	79%	0.788	S	S	*	*			trans	-63.6	130.1	155.5	-76.8	90.5	0	0	0	107.9	V373	V373-L375 HydrophobicContact CG1-CD1 4.12Å; V373-L375 PolarHBondContact O-N 3.21Å
376	S	20.1	Very low	24	Very low	97 Å²	97	141.7 Å²	141.7	68%	0.678	79%	0.79	S	S	*	*			trans	-59.6	144.8	173.9	44.8	0	0	0	0	110.9	S374 D378	S374-S376 PolarHBondContact O-N 3.49Å; S376-D378 VanDerWaalsContact C-N 3.26Å; S376-D378 PolarHBondContact O-N 3.36Å
377	S	21.5	Very low	24.2	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	80%	0.801	S	S	*	*			trans	-78.3	64.8	-169.5	60.5	0	0	0	0	113.6
378	D	22.1	Very low	24.1	Very low	148 Å²	148	145.4 Å²	145.4	79%	0.791	80%	0.801	S	S	*	*			trans	-79.3	118	168.4	-77.9	-52.6	0	0	0	110.6	S376 S380	S376-D378 VanDerWaalsContact C-N 3.26Å; S376-D378 PolarHBondContact O-N 3.36Å; D378-S380 PolarHBondContact O-N 3.25Å
379	R	25.7	Very low	24.2	Very low	243 Å²	243	146.8 Å²	146.8	92%	0.917	80%	0.803	S	S	*	*			trans	-70.7	114	-168.4	-68.7	166.7	162.8	174.8	-7	112.6
380	S	25.4	Very low	24.1	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	80%	0.796	S	S	*	*			trans	-170.3	101.1	139.1	29.4	0	0	0	0	112.4	D378 S382	D378-S380 PolarHBondContact O-N 3.25Å; S380-S382 PolarHBondContact O-N 2.89Å
381	S	28.4	Very low	24.2	Very low	136 Å²	136	143.5 Å²	143.5	95%	0.951	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	92	177.2	-57.1	0	0	0	0	111.9
382	S	27.9	Very low	24.5	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152	-12	167.1	61.2	0	0	0	0	116	S380	S380-S382 PolarHBondContact O-N 2.89Å
383	Q	27.7	Very low	25	Very low	180 Å²	180	147.5 Å²	147.5	84%	0.841	81%	0.807	S	S	*	*	S	Bend	trans	-110.7	57.8	177.5	-68.2	-166.5	-7.5	0	0	113.2
384	A	26.4	Very low	25.3	Very low	94 Å²	94	148.4 Å²	148.4	78%	0.777	81%	0.808	S	S	*	*			trans	-139.4	3.8	179.8	0	0	0	0	0	116.5
385	E	26.2	Very low	25.9	Very low	186 Å²	186	149.3 Å²	149.3	87%	0.869	81%	0.809	S	S	*	*			trans	-115.4	50.1	-176.2	-68.1	-159.4	132.4	0	0	114.6
386	Y	25	Very low	26.3	Very low	229 Å²	229	149.9 Å²	149.9	90%	0.898	81%	0.807	S	S	*	*	S	Bend	trans	-139.8	27	168.4	-96	-69.5	0	0	0	115
387	L	26.8	Very low	26.8	Very low	168 Å²	168	156.1 Å²	156.1	88%	0.88	82%	0.816	S	S	*	*			trans	-134.1	72.1	169.6	-74.6	179.3	0	0	0	112.2
388	N	22.2	Very low	27.6	Very low	166 Å²	166	155.7 Å²	155.7	89%	0.888	81%	0.81	S	S	*	*			trans	-118.1	82.3	159.4	-103	-25.8	0	0	0	109.5
389	I	28.3	Very low	28.4	Very low	164 Å²	164	157.2 Å²	157.2	84%	0.841	82%	0.817	S	S	*	*			trans	-131.4	112.4	160.6	-60.4	-179.7	0	0	0	105.7
390	S	25.6	Very low	29.3	Very low	95 Å²	95	148.2 Å²	148.2	66%	0.664	80%	0.799	S	S	*	*			trans	-62.9	156	-174	-57.2	0	0	0	0	113.1	D392	S390-D392 PolarHBondContact O-N 3.37Å
391	N	24.9	Very low	30.4	Very low	152 Å²	152	153.7 Å²	153.7	81%	0.813	80%	0.804	S	S	*	*			trans	-76	53.8	-173.8	-82.2	-56.4	0	0	0	114.4	K393	N391-K393 PolarHBondContact O-N 3.08Å
392	D	28	Very low	32.1	Very low	136 Å²	136	151.6 Å²	151.6	73%	0.727	79%	0.786	S	S	*	*			trans	-77.6	93	175.1	-72.2	-46.4	0	0	0	111.4	S390 N394	S390-D392 PolarHBondContact O-N 3.37Å; D392-N394 PolarHBondContact O-N 3.05Å
393	K	30.8	Very low	34.2	Very low	201 Å²	201	150.7 Å²	150.7	87%	0.874	77%	0.768	S	S	*	*			trans	-71	38.6	-177.5	-66.9	-178.1	179.2	173.4	0	114.6	N391	N391-K393 PolarHBondContact O-N 3.08Å
394	N	28.1	Very low	36.8	Very low	135 Å²	135	151.9 Å²	151.9	72%	0.722	77%	0.765	S	S	*	*			trans	-149	74.2	171.5	-154.5	1.4	0	0	0	113.8	D392	D392-N394 PolarHBondContact O-N 3.05Å
395	T	32.6	Very low	39.6	Very low	126 Å²	126	150.3 Å²	150.3	77%	0.773	74%	0.741	S	S	*	*			trans	-125.3	121.3	167.8	43.9	0	0	0	0	111.3	R397	T395-R397 PolarHBondContact O-N 3.49Å
396	Q	29.2	Very low	42.4	Very low	165 Å²	165	149 Å²	149	77%	0.771	73%	0.732	S	S	*	*			trans	-49.5	134.2	166.9	-99.7	75	2.6	0	0	110.1	P398	Q396-P398 WeakPolarHBondContact O-CD 3.29Å; Q396-P398 VanDerWaalsContact O-N 3.08Å
397	R	30.9	Very low	45.1	Very low	229 Å²	229	138.6 Å²	138.6	86%	0.864	69%	0.693	S	S	*	*			trans	-44.9	117.9	171.1	-82.2	-179.8	160.5	-161.2	-3.2	110	T395 I399	T395-R397 PolarHBondContact O-N 3.49Å; R397-I399 WeakPolarHBondContact O-CG1 3.33Å; R397-I399 PolarHBondContact O-N 2.87Å; R397-I399 VanDerWaalsContact O-N 3.12Å
398	P	36.6	Very low	47.7	Very low	107 Å²	107	135 Å²	135	70%	0.695	68%	0.68	S	S	*	*			trans	-60.3	121.3	-179.9	21	-31.4	0	0	0	110	Q396 G400	Q396-P398 WeakPolarHBondContact O-CD 3.29Å; Q396-P398 VanDerWaalsContact O-N 3.08Å; P398-G400 PolarHBondContact O-N 3.14Å
399	I	40.6	Very low	50.5	Low	181 Å²	181	129.5 Å²	129.5	93%	0.928	65%	0.652	S	S	*	*	S	Bend	trans	-79.6	69	-170.6	-52.5	-179.9	0	0	0	110	R397	R397-I399 WeakPolarHBondContact O-CG1 3.33Å; R397-I399 PolarHBondContact O-N 2.87Å; R397-I399 VanDerWaalsContact O-N 3.12Å
400	G	43.5	Very low	52.6	Low	53 Å²	53	127.6 Å²	127.6	55%	0.546	65%	0.648	S	S	.	*	S	Bend	trans	169.2	142.5	177.7	0	0	0	0	0	111.7	P398 V402	P398-G400 PolarHBondContact O-N 3.14Å; G400-V402 PolarHBondContact O-N 2.76Å
401	R	47.8	Very low	54.9	Low	219 Å²	219	130.9 Å²	130.9	83%	0.826	66%	0.658	S	S	*	*			trans	-62.6	134.6	160.9	-67.4	-177	-177.8	179.1	-0.4	107.4	Y417	R401-Y417 HydrophobicContact CB-CD1 3.9Å; R401-Y417 HydrophobicContact CB-CE1 4.07Å; R401-Y417 WeakPolarHBondContact O-CE1 3.44Å
402	V	65.5	Low	57.4	Low	93 Å²	93	124.4 Å²	124.4	56%	0.564	63%	0.625	S	S	*	*			trans	-80.3	139.2	175.1	-179.3	0	0	0	0	109.6	G400 R404	G400-V402 PolarHBondContact O-N 2.76Å; V402-R404 VanDerWaalsContact C-N 3.28Å; V402-R404 HydrophobicContact CB-CG 4.38Å; V402-R404 HydrophobicContact CG1-CG 4.32Å; V402-R404 PolarHBondContact O-N 3.14Å
403	K	70.6	Confident	60	Low	86 Å²	86	126.9 Å²	126.9	37%	0.374	63%	0.632	S	S	.	*			trans	-77.7	73.2	176	-71.9	176.2	149.3	-141.9	0	110.9	F405 S415 F416 Y417	K403-F405 VanDerWaalsContact C-N 3.28Å; K403-F405 PolarHBondContact O-N 2.85Å; K403-S415 VanDerWaalsContact CD-O 3.23Å; K403-S415 WeakPolarHBondContact CD-O 3.25Å; K403-S415 WeakPolarHBondContact CE-O 3.42Å; K403-S415 PolarHBondContact NZ-O 3.03Å; K403-F416 CarbonylContact C-O 3.44Å; K403-F416 VanDerWaalsContact CA-O 3.28Å; K403-F416 WeakPolarHBondContact CA-O 3.46Å; K403-Y417 HydrophobicContact CB-CD1 4.49Å; K403-Y417 HydrophobicContact CB-CE1 4.33Å; K403-Y417 HydrophobicContact CD-CE1 4.41Å; K403-Y417 HydrophobicContact CG-CD1 3.8Å; K403-Y417 HydrophobicContact CG-CE1 3.3Å; K403-Y417 HydrophobicContact CG-CE2 4.48Å
404	R	83.4	Confident	62.3	Low	204 Å²	204	121.8 Å²	121.8	77%	0.77	61%	0.612	S	S	*	*			trans	-66	-22.8	-172.1	-66.6	-175.2	-179	-93.1	3.3	114.9	V402 F416	V402-R404 VanDerWaalsContact C-N 3.28Å; V402-R404 HydrophobicContact CB-CG 4.38Å; V402-R404 HydrophobicContact CG1-CG 4.32Å; V402-R404 PolarHBondContact O-N 3.14Å; R404-F416 PolarHBondContact N-O 3.35Å
405	F	85.8	Confident	64.7	Low	61 Å²	61	116.8 Å²	116.8	27%	0.268	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	97.7	-172.1	-58.2	-82.9	0	0	0	111.1	K403 S415 F416 S418 R419 Q422	K403-F405 VanDerWaalsContact C-N 3.28Å; K403-F405 PolarHBondContact O-N 2.85Å; F405-S415 CarbonylContact O-C 3.49Å; F405-S415 VanDerWaalsContact O-CA 3.32Å; F405-S415 WeakPolarHBondContact O-CA 3.42Å; F405-F416 HydrophobicContact CB-CB 4.38Å; F405-F416 PolarHBondContact N-O 2.79Å; F405-F416 VanDerWaalsContact N-O 3.07Å; F405-F416 WeakPolarHBondContact O-CD2 3.41Å; F405-F416 PolarHBondContact O-N 3.21Å; F405-S418 VanDerWaalsContact CD2-CA 3.46Å; F405-R419 HydrophobicContact CD1-CB 4.11Å; F405-R419 HydrophobicContact CD1-CG 3.76Å; F405-R419 HydrophobicContact CE1-CB 3.97Å; F405-R419 HydrophobicContact CE1-CG 3.74Å; F405-R419 HydrophobicContact CZ-CB 4.46Å; F405-Q422 HydrophobicContact CB-CB 3.89Å; F405-Q422 HydrophobicContact CB-CG 4.18Å
406	K	84.1	Confident	67.1	Low	158 Å²	158	112.5 Å²	112.5	69%	0.687	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80.1	149.7	176.2	-62.1	-177.1	-179.9	-178.4	0	111.5	M414 Q422	K406-M414 CarbonylContact C-O 3.52Å; K406-Q422 PolarHBondContact O-NE2 3.08Å
407	C	81.8	Confident	69.5	Low	12 Å²	12	110.9 Å²	110.9	8%	0.081	55%	0.546	C	S	.	.			trans	-63.8	136.4	167.9	-163.5	0	0	0	0	109.9	V409 C412 M414 H425 H429	C407-V409 VanDerWaalsContact C-N 3.28Å; C407-C412 HydrophobicContact CB-CB 4.08Å; C407-M414 PolarHBondContact N-O 3.1Å; C407-H425 VanDerWaalsContact SG-CD2 3.6Å; C407-H425 PolarHBondContact SG-NE2 2.89Å; C407-H425 VanDerWaalsContact SG-NE2 3.37Å; C407-H429 VanDerWaalsContact SG-CD2 3.56Å; C407-H429 PolarHBondContact SG-NE2 3.33Å
408	P	82.5	Confident	71.7	Confident	93 Å²	93	101.8 Å²	101.8	60%	0.604	52%	0.517	S	S	*	.			trans	-79.3	-10	174.8	32.7	-36.5	0	0	0	113.3	V410 I426	P408-V410 PolarHBondContact O-N 3.45Å; P408-I426 HydrophobicContact CG-CD1 3.84Å; P408-I426 HydrophobicContact CG-CG1 4.3Å
409	V	80.2	Confident	73.6	Confident	50 Å²	50	105.6 Å²	105.6	30%	0.303	52%	0.518	S	S	.	.	S	Bend	trans	-73.9	119.6	-178.5	179.6	0	0	0	0	109.3	C407 C412 H429	C407-V409 VanDerWaalsContact C-N 3.28Å; V409-C412 HydrophobicContact CB-CB 4.32Å; V409-C412 WeakPolarHBondContact O-CB 3.38Å; V409-C412 PolarHBondContact O-N 3.13Å; V409-H429 HydrophobicContact CG1-CB 4.28Å; V409-H429 HydrophobicContact CG2-CB 3.93Å
410	V	71.3	Confident	75.5	Confident	124 Å²	124	103.5 Å²	103.5	75%	0.752	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	139.5	173.8	-171.8	0	0	0	0	108.9	P408 C412	P408-V410 PolarHBondContact O-N 3.45Å; V410-C412 VanDerWaalsContact C-N 3.34Å
411	N	74.6	Confident	77.3	Confident	163 Å²	163	104.2 Å²	104.2	87%	0.872	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	11.3	-167.6	-47.8	-28.3	0	0	0	115.8
412	C	78.1	Confident	79	Confident	17 Å²	17	95.4 Å²	95.4	12%	0.115	46%	0.462	C	S	.	.			trans	-122.4	96.5	172.6	-158	0	0	0	0	115.1	C407 V409 V410 M414 H425 H429	C407-C412 HydrophobicContact CB-CB 4.08Å; V409-C412 HydrophobicContact CB-CB 4.32Å; V409-C412 WeakPolarHBondContact O-CB 3.38Å; V409-C412 PolarHBondContact O-N 3.13Å; V410-C412 VanDerWaalsContact C-N 3.34Å; C412-M414 PolarHBondContact O-N 2.83Å; C412-M414 VanDerWaalsContact O-N 3.09Å; C412-H425 VanDerWaalsContact SG-CE1 3.53Å; C412-H425 PolarHBondContact SG-NE2 3.16Å; C412-H429 WeakPolarHBondContact CB-CE1 3.47Å; C412-H429 WeakPolarHBondContact CB-NE2 3.39Å; C412-H429 PolarHBondContact SG-CE1 3.45Å; C412-H429 PolarHBondContact SG-NE2 3.46Å
413	E	81.8	Confident	79.7	Confident	187 Å²	187	92.6 Å²	92.6	87%	0.874	44%	0.443	S	S	*	.			trans	-72.5	3.1	178.3	-55.5	-177.1	164.4	0	0	114.8	S415	E413-S415 PolarHBondContact O-N 3.31Å
414	M	80.3	Confident	80	Confident	95 Å²	95	90.7 Å²	90.7	47%	0.468	44%	0.435	S	S	.	.			trans	-64.7	126.9	-176.4	-80.8	-65.4	109.8	0	0	112	K406 C407 C412 F416 H425	K406-M414 CarbonylContact C-O 3.52Å; C407-M414 PolarHBondContact N-O 3.1Å; C412-M414 PolarHBondContact O-N 2.83Å; C412-M414 VanDerWaalsContact O-N 3.09Å; M414-F416 HydrophobicContact CB-CE2 3.71Å; M414-F416 HydrophobicContact CB-CZ 3.76Å; M414-F416 HydrophobicContact CG-CZ 4.45Å; M414-H425 WeakPolarHBondContact CB-NE2 3.43Å
415	S	78.3	Confident	79.8	Confident	29 Å²	29	82.1 Å²	82.1	20%	0.203	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.9	-178.5	53.4	0	0	0	0	112.6	K403 F405 E413	K403-S415 VanDerWaalsContact CD-O 3.23Å; K403-S415 WeakPolarHBondContact CD-O 3.25Å; K403-S415 WeakPolarHBondContact CE-O 3.42Å; K403-S415 PolarHBondContact NZ-O 3.03Å; F405-S415 CarbonylContact O-C 3.49Å; F405-S415 VanDerWaalsContact O-CA 3.32Å; F405-S415 WeakPolarHBondContact O-CA 3.42Å; E413-S415 PolarHBondContact O-N 3.31Å
416	F	82.4	Confident	79.4	Confident	36 Å²	36	80.6 Å²	80.6	16%	0.158	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160	-163.8	-58.2	-84.8	0	0	0	113.4	K403 R404 F405 M414 N421 Q422 H425	K403-F416 CarbonylContact C-O 3.44Å; K403-F416 VanDerWaalsContact CA-O 3.28Å; K403-F416 WeakPolarHBondContact CA-O 3.46Å; R404-F416 PolarHBondContact N-O 3.35Å; F405-F416 HydrophobicContact CB-CB 4.38Å; F405-F416 PolarHBondContact N-O 2.79Å; F405-F416 VanDerWaalsContact N-O 3.07Å; F405-F416 WeakPolarHBondContact O-CD2 3.41Å; F405-F416 PolarHBondContact O-N 3.21Å; M414-F416 HydrophobicContact CB-CE2 3.71Å; M414-F416 HydrophobicContact CB-CZ 3.76Å; M414-F416 HydrophobicContact CG-CZ 4.45Å; F416-N421 HydrophobicContact CB-CB 3.88Å; F416-N421 HydrophobicContact CD1-CB 3.78Å; F416-N421 HydrophobicContact CG-CB 4.06Å; F416-Q422 HydrophobicContact CB-CB 4.36Å; F416-Q422 HydrophobicContact CD2-CB 4.01Å; F416-Q422 HydrophobicContact CG-CB 4.41Å; F416-H425 HydrophobicContact CE1-CB 3.98Å; F416-H425 HydrophobicContact CE2-CB 3.75Å; F416-H425 AromaticContact CE2-CD2 3.31Å; F416-H425 WeakPolarHBondContact CE2-CD2 3.36Å; F416-H425 AromaticContact CE2-CG 3.6Å; F416-H425 HydrophobicContact CZ-CB 3.33Å; F416-H425 AromaticContact CZ-CD2 3.49Å; F416-H425 VanDerWaalsContact CZ-CD2 3.49Å; F416-H425 WeakPolarHBondContact CZ-CD2 3.31Å; F416-H425 AromaticContact CZ-CG 3.28Å
417	Y	80.1	Confident	79.1	Confident	131 Å²	131	73.8 Å²	73.8	51%	0.514	37%	0.368	S	S	.	.	S	Bend	trans	-85	-9.9	179	-55.6	-59.2	0	0	0	114.3	R401 K403	R401-Y417 HydrophobicContact CB-CD1 3.9Å; R401-Y417 HydrophobicContact CB-CE1 4.07Å; R401-Y417 WeakPolarHBondContact O-CE1 3.44Å; K403-Y417 HydrophobicContact CB-CD1 4.49Å; K403-Y417 HydrophobicContact CB-CE1 4.33Å; K403-Y417 HydrophobicContact CD-CE1 4.41Å; K403-Y417 HydrophobicContact CG-CD1 3.8Å; K403-Y417 HydrophobicContact CG-CE1 3.3Å; K403-Y417 HydrophobicContact CG-CE2 4.48Å
418	S	77.3	Confident	78.8	Confident	38 Å²	38	77 Å²	77	27%	0.266	39%	0.388	S	S	.	.	S	Bend	trans	-148.1	150.8	179.5	64.5	0	0	0	0	111.1	F405 F420 N421 Q422	F405-S418 VanDerWaalsContact CD2-CA 3.46Å; S418-F420 PolarHBondContact O-N 2.87Å; S418-N421 PolarHBondContact O-N 3.39Å; S418-N421 VanDerWaalsContact O-N 3.16Å; S418-N421 WeakPolarHBondContact OG-CB 3.48Å; S418-N421 PolarHBondContact OG-N 2.96Å; S418-N421 VanDerWaalsContact OG-N 3.16Å; S418-N421 PolarHBondContact OG-OD1 2.37Å; S418-Q422 PolarHBondContact O-N 2.62Å; S418-Q422 VanDerWaalsContact O-N 3.11Å
419	R	76.3	Confident	78.5	Confident	188 Å²	188	76.8 Å²	76.8	71%	0.709	38%	0.379	S	S	*	.	H	α-helix	trans	-57.4	-35.4	171.4	-125.8	168.7	-171.8	152.5	-0.3	111.9	F405 Q422 M423	F405-R419 HydrophobicContact CD1-CB 4.11Å; F405-R419 HydrophobicContact CD1-CG 3.76Å; F405-R419 HydrophobicContact CE1-CB 3.97Å; F405-R419 HydrophobicContact CE1-CG 3.74Å; F405-R419 HydrophobicContact CZ-CB 4.46Å; R419-Q422 WeakPolarHBondContact O-CB 3.39Å; R419-Q422 PolarHBondContact O-N 3.23Å; R419-M423 WeakPolarHBondContact O-CB 3.41Å; R419-M423 PolarHBondContact O-N 2.92Å
420	F	79.8	Confident	78.4	Confident	136 Å²	136	77.7 Å²	77.7	60%	0.596	38%	0.384	S	S	*	.	H	α-helix	trans	-59.5	-47.8	173.3	-178.5	-86.8	0	0	0	112.4	S418 Q422 M423 E424	S418-F420 PolarHBondContact O-N 2.87Å; F420-Q422 VanDerWaalsContact C-N 3.34Å; F420-Q422 PolarHBondContact O-N 3.37Å; F420-M423 PolarHBondContact O-N 3.39Å; F420-E424 WeakPolarHBondContact O-CB 3.47Å; F420-E424 PolarHBondContact O-N 2.8Å
421	N	81.3	Confident	78.5	Confident	68 Å²	68	73.7 Å²	73.7	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-69.4	-34.6	-179.1	-69.6	19.3	0	0	0	111.8	F416 S418 H425	F416-N421 HydrophobicContact CB-CB 3.88Å; F416-N421 HydrophobicContact CD1-CB 3.78Å; F416-N421 HydrophobicContact CG-CB 4.06Å; S418-N421 PolarHBondContact O-N 3.39Å; S418-N421 VanDerWaalsContact O-N 3.16Å; S418-N421 WeakPolarHBondContact OG-CB 3.48Å; S418-N421 PolarHBondContact OG-N 2.96Å; S418-N421 VanDerWaalsContact OG-N 3.16Å; S418-N421 PolarHBondContact OG-OD1 2.37Å; N421-H425 WeakPolarHBondContact O-CB 3.36Å; N421-H425 PolarHBondContact O-N 3.23Å; N421-H425 VanDerWaalsContact O-N 3.15Å
422	Q	82.9	Confident	78.5	Confident	34 Å²	34	68.3 Å²	68.3	16%	0.159	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-48.6	171	179.6	-160.4	16.4	0	0	110.7	F405 K406 F416 S418 R419 F420 H425 I426	F405-Q422 HydrophobicContact CB-CB 3.89Å; F405-Q422 HydrophobicContact CB-CG 4.18Å; K406-Q422 PolarHBondContact O-NE2 3.08Å; F416-Q422 HydrophobicContact CB-CB 4.36Å; F416-Q422 HydrophobicContact CD2-CB 4.01Å; F416-Q422 HydrophobicContact CG-CB 4.41Å; S418-Q422 PolarHBondContact O-N 2.62Å; S418-Q422 VanDerWaalsContact O-N 3.11Å; R419-Q422 WeakPolarHBondContact O-CB 3.39Å; R419-Q422 PolarHBondContact O-N 3.23Å; F420-Q422 VanDerWaalsContact C-N 3.34Å; F420-Q422 PolarHBondContact O-N 3.37Å; Q422-H425 CarbonylContact O-C 3.13Å; Q422-H425 WeakPolarHBondContact O-CB 2.91Å; Q422-H425 PolarHBondContact O-N 3.05Å; Q422-I426 HydrophobicContact CG-CD1 4.37Å; Q422-I426 WeakPolarHBondContact O-CG1 3.34Å; Q422-I426 PolarHBondContact O-N 3.14Å
423	M	80.5	Confident	78.6	Confident	35 Å²	35	73.5 Å²	73.5	17%	0.172	36%	0.355	C	S	.	.	H	α-helix	trans	-64.6	-44.2	178	180	54.4	78.3	0	0	112.8	R419 F420 H425 I426 R427 Y485 W491	R419-M423 WeakPolarHBondContact O-CB 3.41Å; R419-M423 PolarHBondContact O-N 2.92Å; F420-M423 PolarHBondContact O-N 3.39Å; M423-H425 PolarHBondContact O-N 3.14Å; M423-I426 PolarHBondContact O-N 3.01Å; M423-I426 VanDerWaalsContact O-N 3.08Å; M423-I426 HydrophobicContact SD-CB 4.46Å; M423-R427 PolarHBondContact O-N 2.85Å; M423-Y485 WeakPolarHBondContact CG-OH 3.44Å; M423-Y485 PolarHBondContact SD-OH 3.48Å; M423-Y485 VanDerWaalsContact SD-OH 3.32Å; M423-W491 HydrophobicContact CE-CH2 4.21Å; M423-W491 HydrophobicContact CE-CZ2 3.68Å
424	E	76.6	Confident	78.2	Confident	45 Å²	45	66.4 Å²	66.4	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-56.9	-34.1	174.1	-164.9	-161.7	97	0	0	111.7	F420 R448	F420-E424 WeakPolarHBondContact O-CB 3.47Å; F420-E424 PolarHBondContact O-N 2.8Å; E424-R448 HydrophobicContact CG-CG 4.24Å; E424-R448 IonicContact OE1-CZ 3.38Å; E424-R448 IonicContact OE1-NE 2.8Å; E424-R448 PolarHBondContact OE1-NE 3.48Å; E424-R448 IonicContact OE1-NH2 3.59Å; E424-R448 PolarHBondContact OE1-NH2 3.28Å; E424-R448 WeakPolarHBondContact OE2-CD 3.23Å; E424-R448 IonicContact OE2-NE 2.7Å; E424-R448 PolarHBondContact OE2-NE 3.33Å
425	H	80.2	Confident	78.3	Confident	24 Å²	24	62.3 Å²	62.3	11%	0.111	31%	0.305	C	S	.	.	H	α-helix	trans	-79.8	-31.1	175.2	165.3	63.3	0	0	0	113.9	C407 C412 M414 F416 N421 Q422 M423 R427 T428 H429	C407-H425 VanDerWaalsContact SG-CD2 3.6Å; C407-H425 PolarHBondContact SG-NE2 2.89Å; C407-H425 VanDerWaalsContact SG-NE2 3.37Å; C412-H425 VanDerWaalsContact SG-CE1 3.53Å; C412-H425 PolarHBondContact SG-NE2 3.16Å; M414-H425 WeakPolarHBondContact CB-NE2 3.43Å; F416-H425 HydrophobicContact CE1-CB 3.98Å; F416-H425 HydrophobicContact CE2-CB 3.75Å; F416-H425 AromaticContact CE2-CD2 3.31Å; F416-H425 WeakPolarHBondContact CE2-CD2 3.36Å; F416-H425 AromaticContact CE2-CG 3.6Å; F416-H425 HydrophobicContact CZ-CB 3.33Å; F416-H425 AromaticContact CZ-CD2 3.49Å; F416-H425 VanDerWaalsContact CZ-CD2 3.49Å; F416-H425 WeakPolarHBondContact CZ-CD2 3.31Å; F416-H425 AromaticContact CZ-CG 3.28Å; N421-H425 WeakPolarHBondContact O-CB 3.36Å; N421-H425 PolarHBondContact O-N 3.23Å; N421-H425 VanDerWaalsContact O-N 3.15Å; Q422-H425 CarbonylContact O-C 3.13Å; Q422-H425 WeakPolarHBondContact O-CB 2.91Å; Q422-H425 PolarHBondContact O-N 3.05Å; M423-H425 PolarHBondContact O-N 3.14Å; H425-R427 PolarHBondContact O-N 3.33Å; H425-T428 PolarHBondContact CE1-OG1 2.87Å; H425-T428 VanDerWaalsContact CE1-OG1 3.32Å; H425-T428 PolarHBondContact ND1-OG1 3.15Å; H425-T428 WeakPolarHBondContact O-CA 3.11Å; H425-T428 WeakPolarHBondContact O-CB 3.47Å; H425-T428 PolarHBondContact O-N 2.7Å; H425-T428 PolarHBondContact O-OG1 2.67Å; H425-H429 AromaticContact CD2-NE2 3.48Å; H425-H429 PolarHBondContact CD2-NE2 3.25Å; H425-H429 AromaticContact CE1-CD2 4Å; H425-H429 AromaticContact CE1-NE2 2.69Å; H425-H429 PolarHBondContact CE1-NE2 2.92Å; H425-H429 AromaticContact ND1-NE2 3.86Å; H425-H429 AromaticContact NE2-CD2 3.85Å; H425-H429 AromaticContact NE2-NE2 2.33Å; H425-H429 PolarHBondContact NE2-NE2 3.49Å
426	I	77.9	Confident	78.5	Confident	29 Å²	29	65 Å²	65	15%	0.149	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-35.5	173	-71.5	165.5	0	0	0	110.5	P408 Q422 M423 T428 H429 T430	P408-I426 HydrophobicContact CG-CD1 3.84Å; P408-I426 HydrophobicContact CG-CG1 4.3Å; Q422-I426 HydrophobicContact CG-CD1 4.37Å; Q422-I426 WeakPolarHBondContact O-CG1 3.34Å; Q422-I426 PolarHBondContact O-N 3.14Å; M423-I426 PolarHBondContact O-N 3.01Å; M423-I426 VanDerWaalsContact O-N 3.08Å; M423-I426 HydrophobicContact SD-CB 4.46Å; I426-T428 PolarHBondContact O-N 2.97Å; I426-H429 PolarHBondContact O-N 2.83Å; I426-T430 HydrophobicContact CG2-CG2 4.03Å; I426-T430 PolarHBondContact O-N 2.88Å
427	R	78.1	Confident	78.5	Confident	15 Å²	15	63.9 Å²	63.9	6%	0.057	32%	0.316	C	S	.	.	H	α-helix	trans	-61.2	-10	170.5	-56.6	177.4	-169.3	164	2.6	114.5	M423 H425 K447 Y485	M423-R427 PolarHBondContact O-N 2.85Å; H425-R427 PolarHBondContact O-N 3.33Å; R427-K447 PolarHBondContact NH1-O 3.4Å; R427-K447 PolarHBondContact O-NZ 3.12Å; R427-Y485 PolarHBondContact NH2-OH 3.38Å
428	T	74.8	Confident	78.4	Confident	80 Å²	80	59.8 Å²	59.8	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-80.6	-22	169.4	66.8	0	0	0	0	113	H425 I426	H425-T428 PolarHBondContact CE1-OG1 2.87Å; H425-T428 VanDerWaalsContact CE1-OG1 3.32Å; H425-T428 PolarHBondContact ND1-OG1 3.15Å; H425-T428 WeakPolarHBondContact O-CA 3.11Å; H425-T428 WeakPolarHBondContact O-CB 3.47Å; H425-T428 PolarHBondContact O-N 2.7Å; H425-T428 PolarHBondContact O-OG1 2.67Å; I426-T428 PolarHBondContact O-N 2.97Å
429	H	76.6	Confident	78.4	Confident	89 Å²	89	59 Å²	59	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-93.5	-48	174.7	-57.6	-66.4	0	0	0	112.1	C407 V409 C412 H425 I426 G431	C407-H429 VanDerWaalsContact SG-CD2 3.56Å; C407-H429 PolarHBondContact SG-NE2 3.33Å; V409-H429 HydrophobicContact CG1-CB 4.28Å; V409-H429 HydrophobicContact CG2-CB 3.93Å; C412-H429 WeakPolarHBondContact CB-CE1 3.47Å; C412-H429 WeakPolarHBondContact CB-NE2 3.39Å; C412-H429 PolarHBondContact SG-CE1 3.45Å; C412-H429 PolarHBondContact SG-NE2 3.46Å; H425-H429 AromaticContact CD2-NE2 3.48Å; H425-H429 PolarHBondContact CD2-NE2 3.25Å; H425-H429 AromaticContact CE1-CD2 4Å; H425-H429 AromaticContact CE1-NE2 2.69Å; H425-H429 PolarHBondContact CE1-NE2 2.92Å; H425-H429 AromaticContact ND1-NE2 3.86Å; H425-H429 AromaticContact NE2-CD2 3.85Å; H425-H429 AromaticContact NE2-NE2 2.33Å; H425-H429 PolarHBondContact NE2-NE2 3.49Å; I426-H429 PolarHBondContact O-N 2.83Å; H429-G431 PolarHBondContact O-N 2.94Å; H429-G431 VanDerWaalsContact O-N 3.16Å
430	T	76.9	Confident	78.3	Confident	69 Å²	69	54.6 Å²	54.6	42%	0.423	29%	0.294	S	S	.	.	S	Bend	trans	-72.2	-6	178.8	67.8	0	0	0	0	113.6	I426 E432	I426-T430 HydrophobicContact CG2-CG2 4.03Å; I426-T430 PolarHBondContact O-N 2.88Å; T430-E432 WeakPolarHBondContact CB-OE1 3.21Å; T430-E432 PolarHBondContact O-N 3.46Å; T430-E432 VanDerWaalsContact OG1-CD 3.31Å; T430-E432 PolarHBondContact OG1-OE1 3.28Å
431	G	74.9	Confident	77.8	Confident	40 Å²	40	56.2 Å²	56.2	41%	0.412	30%	0.303	S	S	.	.			trans	76.2	-26.9	-179.7	0	0	0	0	0	114.9	H429 R433 K447	H429-G431 PolarHBondContact O-N 2.94Å; H429-G431 VanDerWaalsContact O-N 3.16Å; G431-R433 WeakPolarHBondContact O-CG 3.31Å; G431-K447 VanDerWaalsContact O-CE 3.28Å; G431-K447 WeakPolarHBondContact O-CE 3.22Å; G431-K447 PolarHBondContact O-NZ 2.88Å
432	E	73.7	Confident	77.8	Confident	50 Å²	50	53.7 Å²	53.7	23%	0.234	29%	0.29	C	S	.	.			trans	-40.7	142	-171.2	-74.9	166.5	-112.8	0	0	116.3	T430 K447 Y489	T430-E432 WeakPolarHBondContact CB-OE1 3.21Å; T430-E432 PolarHBondContact O-N 3.46Å; T430-E432 VanDerWaalsContact OG1-CD 3.31Å; T430-E432 PolarHBondContact OG1-OE1 3.28Å; E432-K447 WeakPolarHBondContact O-CE 3.43Å; E432-Y489 PolarHBondContact OE1-OH 2.86Å
433	R	80.1	Confident	77.6	Confident	126 Å²	126	59.6 Å²	59.6	48%	0.475	32%	0.323	S	S	.	.			trans	-137.4	67.3	-178.7	-55.1	178.2	70.9	120.5	-1.5	110	G431 F435 T445 F446 K447	G431-R433 WeakPolarHBondContact O-CG 3.31Å; R433-F435 PolarHBondContact O-N 3.32Å; R433-T445 WeakPolarHBondContact CB-OG1 3.31Å; R433-T445 VanDerWaalsContact CD-OG1 3.27Å; R433-T445 WeakPolarHBondContact CD-OG1 3.45Å; R433-T445 PolarHBondContact NE-O 3.48Å; R433-T445 PolarHBondContact NE-OG1 3.23Å; R433-T445 VanDerWaalsContact NE-OG1 3.11Å; R433-T445 PolarHBondContact NH2-O 2.86Å; R433-F446 CarbonylContact C-O 3.53Å; R433-F446 VanDerWaalsContact CA-O 3.3Å; R433-F446 WeakPolarHBondContact CA-O 3.37Å; R433-K447 HydrophobicContact CG-CG 4.04Å
434	P	72.4	Confident	77.6	Confident	37 Å²	37	59.9 Å²	59.9	24%	0.24	33%	0.328	C	S	.	.			trans	-64.1	-17.1	-164.1	-23.8	35.4	0	0	0	115.6	T436 Y485	P434-T436 PolarHBondContact O-N 2.94Å; P434-Y485 HydrophobicContact CB-CD2 4.28Å; P434-Y485 HydrophobicContact CG-CD2 4.13Å; P434-Y485 HydrophobicContact CG-CE2 4.27Å
435	F	83.6	Confident	77.8	Confident	10 Å²	10	59.9 Å²	59.9	4%	0.044	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	88.9	-177.6	-59.3	-78.5	0	0	0	109.8	R433 T445 F446 R449 L452	R433-F435 PolarHBondContact O-N 3.32Å; F435-T445 CarbonylContact O-C 3.54Å; F435-T445 WeakPolarHBondContact O-CA 3.19Å; F435-F446 HydrophobicContact CB-CB 4.13Å; F435-F446 PolarHBondContact N-O 3.5Å; F435-F446 WeakPolarHBondContact O-CD2 3.25Å; F435-F446 PolarHBondContact O-N 2.91Å; F435-R449 HydrophobicContact CD1-CB 4.14Å; F435-R449 HydrophobicContact CD1-CG 4.25Å; F435-R449 HydrophobicContact CE1-CB 3.75Å; F435-R449 HydrophobicContact CE1-CG 3.98Å; F435-R449 HydrophobicContact CE2-CB 4.46Å; F435-R449 HydrophobicContact CZ-CB 3.93Å; F435-L452 HydrophobicContact CB-CB 3.96Å; F435-L452 HydrophobicContact CB-CD2 3.8Å
436	T	83.2	Confident	77.9	Confident	86 Å²	86	60.3 Å²	60.3	53%	0.528	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	146.2	170.6	48.9	0	0	0	0	110.7	P434 T445 L452	P434-T436 PolarHBondContact O-N 2.94Å; T436-T445 HydrophobicContact CG2-CG2 3.88Å; T436-L452 WeakPolarHBondContact O-CD2 3.39Å
437	C	82.6	Confident	77.9	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.074	34%	0.336	C	S	.	.			trans	-69.2	137	166.2	-162.8	0	0	0	0	109.9	E439 C442 S444 L452 H459	C437-E439 VanDerWaalsContact C-N 3.28Å; C437-E439 PolarHBondContact O-N 3.37Å; C437-C442 HydrophobicContact CB-CB 4.31Å; C437-C442 WeakPolarHBondContact CB-O 3.39Å; C437-S444 PolarHBondContact N-O 3.07Å; C437-L452 HydrophobicContact CB-CD1 4.1Å; C437-H459 PolarHBondContact SG-NE2 2.54Å
438	P	77.9	Confident	78	Confident	46 Å²	46	65.1 Å²	65.1	30%	0.299	35%	0.351	S	S	.	.			trans	-70.5	-22.1	175.5	-23.1	35.9	0	0	0	114.3	L469 F474 A477	P438-L469 HydrophobicContact CB-CD1 3.81Å; P438-F474 HydrophobicContact CG-CD2 4.11Å; P438-A477 HydrophobicContact CG-CB 4.41Å
439	E	76	Confident	78.1	Confident	22 Å²	22	67.2 Å²	67.2	10%	0.103	35%	0.349	C	S	.	.			trans	-60.5	124.7	-176.3	-72.2	-55.3	131.4	0	0	112.9	C437 H441 C442 H459 A467	C437-E439 VanDerWaalsContact C-N 3.28Å; C437-E439 PolarHBondContact O-N 3.37Å; E439-H441 PolarHBondContact O-N 2.95Å; E439-H441 VanDerWaalsContact O-N 3.11Å; E439-C442 HydrophobicContact CB-CB 3.79Å; E439-C442 PolarHBondContact O-N 3.5Å; E439-H459 HydrophobicContact CG-CB 4.4Å; E439-A467 WeakPolarHBondContact OE2-CB 3.45Å
440	P	73.4	Confident	78.1	Confident	95 Å²	95	71.7 Å²	71.7	62%	0.617	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.3	-173.4	27.8	-35.9	0	0	0	113.6
441	H	70.5	Confident	78.4	Confident	170 Å²	170	70.7 Å²	70.7	79%	0.787	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	6	174.3	-57.1	-41.4	0	0	0	113.2	E439	E439-H441 PolarHBondContact O-N 2.95Å; E439-H441 VanDerWaalsContact O-N 3.11Å
442	C	80	Confident	78.6	Confident	14 Å²	14	69 Å²	69	10%	0.095	34%	0.336	C	S	.	.			trans	-130.3	90	-174.2	-154.9	0	0	0	0	114.2	C437 E439 S444 H455 H459	C437-C442 HydrophobicContact CB-CB 4.31Å; C437-C442 WeakPolarHBondContact CB-O 3.39Å; E439-C442 HydrophobicContact CB-CB 3.79Å; E439-C442 PolarHBondContact O-N 3.5Å; C442-S444 PolarHBondContact O-N 3.08Å; C442-S444 PolarHBondContact SG-OG 3.16Å; C442-H455 VanDerWaalsContact SG-CE1 3.54Å; C442-H455 PolarHBondContact SG-NE2 2.94Å; C442-H455 VanDerWaalsContact SG-NE2 3.4Å; C442-H459 WeakPolarHBondContact CB-CE1 3.37Å; C442-H459 WeakPolarHBondContact CB-NE2 3.4Å; C442-H459 PolarHBondContact SG-CE1 3.16Å; C442-H459 PolarHBondContact SG-NE2 2.33Å
443	N	79.5	Confident	78.8	Confident	159 Å²	159	71.1 Å²	71.1	85%	0.85	34%	0.342	S	S	*	.			trans	-70.5	27.2	174.3	-62.6	-16.9	0	0	0	114.1
444	S	81.2	Confident	78.5	Confident	40 Å²	40	69.9 Å²	69.9	28%	0.28	35%	0.345	S	S	.	.			trans	-79.3	122.5	-178.2	-68.3	0	0	0	0	111.4	C437 C442 H455	C437-S444 PolarHBondContact N-O 3.07Å; C442-S444 PolarHBondContact O-N 3.08Å; C442-S444 PolarHBondContact SG-OG 3.16Å; S444-H455 WeakPolarHBondContact CB-NE2 3.38Å
445	T	79.8	Confident	78.8	Confident	46 Å²	46	69.8 Å²	69.8	28%	0.282	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.7	-178.7	67.5	0	0	0	0	111.6	R433 F435 T436	R433-T445 WeakPolarHBondContact CB-OG1 3.31Å; R433-T445 VanDerWaalsContact CD-OG1 3.27Å; R433-T445 WeakPolarHBondContact CD-OG1 3.45Å; R433-T445 PolarHBondContact NE-O 3.48Å; R433-T445 PolarHBondContact NE-OG1 3.23Å; R433-T445 VanDerWaalsContact NE-OG1 3.11Å; R433-T445 PolarHBondContact NH2-O 2.86Å; F435-T445 CarbonylContact O-C 3.54Å; F435-T445 WeakPolarHBondContact O-CA 3.19Å; T436-T445 HydrophobicContact CG2-CG2 3.88Å
446	F	82.1	Confident	78.3	Confident	32 Å²	32	70.4 Å²	70.4	14%	0.14	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	-169.1	-60.9	-84.2	0	0	0	113.6	R433 F435 D451 L452 H455	R433-F446 CarbonylContact C-O 3.53Å; R433-F446 VanDerWaalsContact CA-O 3.3Å; R433-F446 WeakPolarHBondContact CA-O 3.37Å; F435-F446 HydrophobicContact CB-CB 4.13Å; F435-F446 PolarHBondContact N-O 3.5Å; F435-F446 WeakPolarHBondContact O-CD2 3.25Å; F435-F446 PolarHBondContact O-N 2.91Å; F446-D451 HydrophobicContact CB-CB 4.08Å; F446-D451 HydrophobicContact CD1-CB 3.83Å; F446-D451 HydrophobicContact CG-CB 4.28Å; F446-L452 HydrophobicContact CB-CB 4.09Å; F446-L452 HydrophobicContact CD2-CB 3.74Å; F446-L452 HydrophobicContact CD2-CD1 3.75Å; F446-L452 HydrophobicContact CD2-CG 4.32Å; F446-L452 HydrophobicContact CE2-CD1 3.91Å; F446-L452 HydrophobicContact CG-CB 4.05Å; F446-H455 HydrophobicContact CE1-CB 3.87Å; F446-H455 HydrophobicContact CE2-CB 3.83Å; F446-H455 AromaticContact CE2-CD2 3.35Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.43Å; F446-H455 AromaticContact CE2-CG 3.61Å; F446-H455 HydrophobicContact CZ-CB 3.34Å; F446-H455 AromaticContact CZ-CD2 3.5Å; F446-H455 VanDerWaalsContact CZ-CD2 3.5Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.37Å; F446-H455 AromaticContact CZ-CG 3.24Å; F446-H455 AromaticContact CZ-ND1 3.83Å
447	K	79.4	Confident	77.8	Confident	48 Å²	48	69 Å²	69	21%	0.209	34%	0.337	C	S	.	.	S	Bend	trans	-81.8	-16.2	179	-59.6	-155.8	172.4	-161.7	0	113.5	R427 G431 E432 R433	R427-K447 PolarHBondContact NH1-O 3.4Å; R427-K447 PolarHBondContact O-NZ 3.12Å; G431-K447 VanDerWaalsContact O-CE 3.28Å; G431-K447 WeakPolarHBondContact O-CE 3.22Å; G431-K447 PolarHBondContact O-NZ 2.88Å; E432-K447 WeakPolarHBondContact O-CE 3.43Å; R433-K447 HydrophobicContact CG-CG 4.04Å
448	R	78.5	Confident	77.1	Confident	98 Å²	98	70.9 Å²	70.9	37%	0.37	35%	0.345	S	S	.	.	S	Bend	trans	-138	148.6	179	-51.1	175.1	-173.2	78	10.3	111.7	E424 R450 D451 L452	E424-R448 HydrophobicContact CG-CG 4.24Å; E424-R448 IonicContact OE1-CZ 3.38Å; E424-R448 IonicContact OE1-NE 2.8Å; E424-R448 PolarHBondContact OE1-NE 3.48Å; E424-R448 IonicContact OE1-NH2 3.59Å; E424-R448 PolarHBondContact OE1-NH2 3.28Å; E424-R448 WeakPolarHBondContact OE2-CD 3.23Å; E424-R448 IonicContact OE2-NE 2.7Å; E424-R448 PolarHBondContact OE2-NE 3.33Å; R448-R450 VanDerWaalsContact C-N 3.26Å; R448-R450 PolarHBondContact O-N 3.05Å; R448-D451 HydrophobicContact CB-CB 4.33Å; R448-D451 WeakPolarHBondContact CB-OD2 3.42Å; R448-D451 WeakPolarHBondContact CD-OD2 3.46Å; R448-D451 WeakPolarHBondContact CG-OD2 3.44Å; R448-D451 IonicContact CZ-OD2 3.77Å; R448-D451 IonicContact NE-OD2 3.14Å; R448-D451 IonicContact NH1-OD1 2.77Å; R448-D451 IonicContact NH1-OD2 2.63Å; R448-D451 PolarHBondContact NH1-OD2 2.89Å; R448-D451 PolarHBondContact O-N 2.86Å; R448-D451 VanDerWaalsContact O-N 3.08Å; R448-L452 PolarHBondContact O-N 2.95Å; R448-L452 VanDerWaalsContact O-N 3.17Å
449	R	77.9	Confident	76.9	Confident	123 Å²	123	71.3 Å²	71.3	46%	0.464	34%	0.343	S	S	.	.	H	α-helix	trans	-55.3	-36.2	171.3	-157.8	-168.5	-58.3	171.9	6.4	113.4	F435 R453 L478 D482	F435-R449 HydrophobicContact CD1-CB 4.14Å; F435-R449 HydrophobicContact CD1-CG 4.25Å; F435-R449 HydrophobicContact CE1-CB 3.75Å; F435-R449 HydrophobicContact CE1-CG 3.98Å; F435-R449 HydrophobicContact CE2-CB 4.46Å; F435-R449 HydrophobicContact CZ-CB 3.93Å; R449-R453 WeakPolarHBondContact O-CB 3.41Å; R449-R453 PolarHBondContact O-N 3.12Å; R449-L478 HydrophobicContact CG-CD2 3.71Å; R449-L478 HydrophobicContact CG-CG 3.89Å; R449-D482 VanDerWaalsContact CZ-CG 3.45Å; R449-D482 IonicContact CZ-OD1 2.74Å; R449-D482 IonicContact CZ-OD2 3.16Å; R449-D482 IonicContact NE-OD1 2.99Å; R449-D482 PolarHBondContact NE-OD1 3.42Å; R449-D482 IonicContact NE-OD2 3.37Å; R449-D482 PolarHBondContact NE-OD2 2.97Å; R449-D482 IonicContact NH1-OD2 3.57Å; R449-D482 IonicContact NH2-OD1 3.05Å; R449-D482 PolarHBondContact NH2-OD1 3.04Å; R449-D482 IonicContact NH2-OD2 2.75Å; R449-D482 PolarHBondContact NH2-OD2 2.84Å
450	R	76.8	Confident	76.3	Confident	184 Å²	184	76.6 Å²	76.6	69%	0.694	37%	0.371	S	S	*	.	H	α-helix	trans	-68	-42.1	175.5	-175.5	176.2	-64.4	141.3	4.9	111.9	R448 L452 R453 D454	R448-R450 VanDerWaalsContact C-N 3.26Å; R448-R450 PolarHBondContact O-N 3.05Å; R450-L452 VanDerWaalsContact C-N 3.26Å; R450-L452 PolarHBondContact O-N 3.15Å; R450-R453 PolarHBondContact O-N 3Å; R450-R453 VanDerWaalsContact O-N 3.1Å; R450-D454 WeakPolarHBondContact O-CB 3.44Å; R450-D454 VanDerWaalsContact O-CG 3.27Å; R450-D454 PolarHBondContact O-N 2.94Å
451	D	82	Confident	75.7	Confident	48 Å²	48	76.5 Å²	76.5	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-35.7	-179.4	-53.9	-20.4	0	0	0	110.5	F446 R448 H455	F446-D451 HydrophobicContact CB-CB 4.08Å; F446-D451 HydrophobicContact CD1-CB 3.83Å; F446-D451 HydrophobicContact CG-CB 4.28Å; R448-D451 HydrophobicContact CB-CB 4.33Å; R448-D451 WeakPolarHBondContact CB-OD2 3.42Å; R448-D451 WeakPolarHBondContact CD-OD2 3.46Å; R448-D451 WeakPolarHBondContact CG-OD2 3.44Å; R448-D451 IonicContact CZ-OD2 3.77Å; R448-D451 IonicContact NE-OD2 3.14Å; R448-D451 IonicContact NH1-OD1 2.77Å; R448-D451 IonicContact NH1-OD2 2.63Å; R448-D451 PolarHBondContact NH1-OD2 2.89Å; R448-D451 PolarHBondContact O-N 2.86Å; R448-D451 VanDerWaalsContact O-N 3.08Å; D451-H455 WeakPolarHBondContact O-CB 3.34Å; D451-H455 PolarHBondContact O-N 3.36Å
452	L	79.1	Confident	74.7	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-67.2	-44.6	169.1	172.5	59.5	0	0	0	112.4	F435 T436 C437 F446 R448 R450 D454 H455 W456 F474 L478	F435-L452 HydrophobicContact CB-CB 3.96Å; F435-L452 HydrophobicContact CB-CD2 3.8Å; T436-L452 WeakPolarHBondContact O-CD2 3.39Å; C437-L452 HydrophobicContact CB-CD1 4.1Å; F446-L452 HydrophobicContact CB-CB 4.09Å; F446-L452 HydrophobicContact CD2-CB 3.74Å; F446-L452 HydrophobicContact CD2-CD1 3.75Å; F446-L452 HydrophobicContact CD2-CG 4.32Å; F446-L452 HydrophobicContact CE2-CD1 3.91Å; F446-L452 HydrophobicContact CG-CB 4.05Å; R448-L452 PolarHBondContact O-N 2.95Å; R448-L452 VanDerWaalsContact O-N 3.17Å; R450-L452 VanDerWaalsContact C-N 3.26Å; R450-L452 PolarHBondContact O-N 3.15Å; L452-D454 PolarHBondContact O-N 3.32Å; L452-H455 CarbonylContact O-C 3.55Å; L452-H455 WeakPolarHBondContact O-CA 3.46Å; L452-H455 WeakPolarHBondContact O-CB 3.47Å; L452-H455 PolarHBondContact O-N 2.62Å; L452-H455 VanDerWaalsContact O-N 3.11Å; L452-W456 PolarHBondContact O-N 2.8Å; L452-F474 HydrophobicContact CD2-CE2 4.49Å; L452-F474 HydrophobicContact CG-CE2 4.41Å; L452-F474 HydrophobicContact CG-CZ 4.43Å; L452-L478 HydrophobicContact CD2-CD1 3.66Å
453	R	78.1	Confident	72.6	Confident	96 Å²	96	77.3 Å²	77.3	36%	0.362	38%	0.381	S	S	.	.	H	α-helix	trans	-63.7	-41.5	179.5	-174	168.5	-67.3	-145.4	-6.7	112.3	R449 R450 H455 W456 S457 N475	R449-R453 WeakPolarHBondContact O-CB 3.41Å; R449-R453 PolarHBondContact O-N 3.12Å; R450-R453 PolarHBondContact O-N 3Å; R450-R453 VanDerWaalsContact O-N 3.1Å; R453-H455 PolarHBondContact O-N 2.8Å; R453-W456 PolarHBondContact O-N 2.63Å; R453-S457 WeakPolarHBondContact O-CB 3.29Å; R453-S457 PolarHBondContact O-N 2.87Å; R453-S457 VanDerWaalsContact O-N 3.1Å; R453-S457 PolarHBondContact O-OG 3.22Å; R453-N475 PolarHBondContact NH2-OD1 3.12Å
454	D	73.6	Confident	70.6	Confident	100 Å²	100	74.4 Å²	74.4	54%	0.535	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-24.6	175.4	-67.2	-0.6	0	0	0	111.5	R450 L452	R450-D454 WeakPolarHBondContact O-CB 3.44Å; R450-D454 VanDerWaalsContact O-CG 3.27Å; R450-D454 PolarHBondContact O-N 2.94Å; L452-D454 PolarHBondContact O-N 3.32Å
455	H	79.9	Confident	69	Low	35 Å²	35	79.1 Å²	79.1	16%	0.162	40%	0.401	C	S	.	.	H	α-helix	trans	-83.5	-45.6	172.4	165	71	0	0	0	113.8	C442 S444 F446 D451 L452 R453 S457 M458 H459	C442-H455 VanDerWaalsContact SG-CE1 3.54Å; C442-H455 PolarHBondContact SG-NE2 2.94Å; C442-H455 VanDerWaalsContact SG-NE2 3.4Å; S444-H455 WeakPolarHBondContact CB-NE2 3.38Å; F446-H455 HydrophobicContact CE1-CB 3.87Å; F446-H455 HydrophobicContact CE2-CB 3.83Å; F446-H455 AromaticContact CE2-CD2 3.35Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.43Å; F446-H455 AromaticContact CE2-CG 3.61Å; F446-H455 HydrophobicContact CZ-CB 3.34Å; F446-H455 AromaticContact CZ-CD2 3.5Å; F446-H455 VanDerWaalsContact CZ-CD2 3.5Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.37Å; F446-H455 AromaticContact CZ-CG 3.24Å; F446-H455 AromaticContact CZ-ND1 3.83Å; D451-H455 WeakPolarHBondContact O-CB 3.34Å; D451-H455 PolarHBondContact O-N 3.36Å; L452-H455 CarbonylContact O-C 3.55Å; L452-H455 WeakPolarHBondContact O-CA 3.46Å; L452-H455 WeakPolarHBondContact O-CB 3.47Å; L452-H455 PolarHBondContact O-N 2.62Å; L452-H455 VanDerWaalsContact O-N 3.11Å; R453-H455 PolarHBondContact O-N 2.8Å; H455-S457 PolarHBondContact O-N 3.17Å; H455-M458 WeakPolarHBondContact O-CA 3.45Å; H455-M458 WeakPolarHBondContact O-CB 3.31Å; H455-M458 PolarHBondContact O-N 3.32Å; H455-H459 AromaticContact CD2-NE2 3.51Å; H455-H459 AromaticContact CE1-NE2 3Å; H455-H459 PolarHBondContact CE1-NE2 2.69Å; H455-H459 AromaticContact NE2-CD2 3.86Å; H455-H459 AromaticContact NE2-NE2 2.44Å; H455-H459 PolarHBondContact NE2-NE2 3.48Å
456	W	72.7	Confident	67.2	Low	22 Å²	22	81.5 Å²	81.5	8%	0.083	42%	0.419	C	S	.	.	H	α-helix	trans	-64.1	-27.4	179.1	-169.8	66	0	0	0	111.5	L452 R453 M458 H459 L460 E471 F474	L452-W456 PolarHBondContact O-N 2.8Å; R453-W456 PolarHBondContact O-N 2.63Å; W456-M458 PolarHBondContact O-N 2.81Å; W456-H459 AromaticContact CD1-CD2 3.94Å; W456-H459 PolarHBondContact O-N 2.8Å; W456-H459 VanDerWaalsContact O-N 3.08Å; W456-L460 PolarHBondContact O-N 2.87Å; W456-E471 HydrophobicContact CH2-CB 4.5Å; W456-F474 HydrophobicContact CB-CE2 3.76Å; W456-F474 HydrophobicContact CB-CZ 4.01Å; W456-F474 HydrophobicContact CD2-CB 4.48Å; W456-F474 HydrophobicContact CD2-CD1 4.2Å; W456-F474 AromaticContact CD2-CD2 3.38Å; W456-F474 HydrophobicContact CD2-CD2 3.38Å; W456-F474 HydrophobicContact CD2-CE1 4.28Å; W456-F474 AromaticContact CD2-CE2 3.49Å; W456-F474 HydrophobicContact CD2-CE2 3.49Å; W456-F474 VanDerWaalsContact CD2-CE2 3.49Å; W456-F474 AromaticContact CD2-CG 3.76Å; W456-F474 HydrophobicContact CD2-CG 3.76Å; W456-F474 AromaticContact CD2-CZ 3.95Å; W456-F474 HydrophobicContact CD2-CZ 3.95Å; W456-F474 AromaticContact CE2-CD2 3.57Å; W456-F474 AromaticContact CE2-CG 3.91Å; W456-F474 HydrophobicContact CE3-CB 4.29Å; W456-F474 AromaticContact CE3-CD1 3.54Å; W456-F474 HydrophobicContact CE3-CD1 3.54Å; W456-F474 AromaticContact CE3-CD2 3.63Å; W456-F474 HydrophobicContact CE3-CD2 3.63Å; W456-F474 AromaticContact CE3-CE1 3.63Å; W456-F474 HydrophobicContact CE3-CE1 3.63Å; W456-F474 AromaticContact CE3-CE2 3.74Å; W456-F474 HydrophobicContact CE3-CE2 3.74Å; W456-F474 AromaticContact CE3-CG 3.53Å; W456-F474 HydrophobicContact CE3-CG 3.53Å; W456-F474 AromaticContact CE3-CZ 3.74Å; W456-F474 HydrophobicContact CE3-CZ 3.74Å; W456-F474 AromaticContact CG-CD2 3.8Å; W456-F474 HydrophobicContact CG-CD2 3.8Å; W456-F474 AromaticContact CG-CE2 3.5Å; W456-F474 HydrophobicContact CG-CE2 3.5Å; W456-F474 HydrophobicContact CG-CZ 4.09Å; W456-F474 HydrophobicContact CH2-CB 3.47Å; W456-F474 VanDerWaalsContact CH2-CB 3.47Å; W456-F474 HydrophobicContact CH2-CD1 4.12Å; W456-F474 HydrophobicContact CH2-CD2 4.23Å; W456-F474 AromaticContact CH2-CG 3.69Å; W456-F474 HydrophobicContact CH2-CG 3.69Å; W456-F474 HydrophobicContact CZ2-CB 3.67Å; W456-F474 HydrophobicContact CZ2-CD2 4.01Å; W456-F474 AromaticContact CZ2-CG 3.89Å; W456-F474 HydrophobicContact CZ2-CG 3.89Å; W456-F474 HydrophobicContact CZ3-CB 3.8Å; W456-F474 AromaticContact CZ3-CD1 3.49Å; W456-F474 HydrophobicContact CZ3-CD1 3.49Å; W456-F474 VanDerWaalsContact CZ3-CD1 3.49Å; W456-F474 HydrophobicContact CZ3-CD2 4.05Å; W456-F474 HydrophobicContact CZ3-CE1 4.03Å; W456-F474 AromaticContact CZ3-CG 3.49Å; W456-F474 HydrophobicContact CZ3-CG 3.49Å; W456-F474 VanDerWaalsContact CZ3-CG 3.49Å
457	S	73.8	Confident	65.5	Low	58 Å²	58	82.4 Å²	82.4	41%	0.406	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-3.4	165	-53.7	0	0	0	0	115.1	R453 H455	R453-S457 WeakPolarHBondContact O-CB 3.29Å; R453-S457 PolarHBondContact O-N 2.87Å; R453-S457 VanDerWaalsContact O-N 3.1Å; R453-S457 PolarHBondContact O-OG 3.22Å; H455-S457 PolarHBondContact O-N 3.17Å
458	M	67.9	Low	64.3	Low	49 Å²	49	86.4 Å²	86.4	24%	0.241	46%	0.461	C	S	.	.	H	α-helix	trans	-96.8	-37.4	170.4	-62.5	-57.8	-41.2	0	0	112.7	H455 W456 L460 L461 D462 R550	H455-M458 WeakPolarHBondContact O-CA 3.45Å; H455-M458 WeakPolarHBondContact O-CB 3.31Å; H455-M458 PolarHBondContact O-N 3.32Å; W456-M458 PolarHBondContact O-N 2.81Å; M458-L460 PolarHBondContact O-N 3.09Å; M458-L461 WeakPolarHBondContact O-CA 3.48Å; M458-L461 WeakPolarHBondContact O-CB 3.4Å; M458-L461 PolarHBondContact O-N 2.97Å; M458-D462 WeakPolarHBondContact CE-OD2 3.39Å; M458-D462 PolarHBondContact O-N 3.26Å; M458-R550 VanDerWaalsContact CE-NH2 3.31Å; M458-R550 PolarHBondContact SD-NH1 3.07Å; M458-R550 PolarHBondContact SD-NH2 2.81Å
459	H	72.4	Confident	63.1	Low	55 Å²	55	85 Å²	85	26%	0.255	46%	0.461	S	S	.	.	H	α-helix	trans	-60.6	-36.6	173.7	-68.2	-60.4	0	0	0	111.1	C437 E439 C442 H455 W456 L461	C437-H459 PolarHBondContact SG-NE2 2.54Å; E439-H459 HydrophobicContact CG-CB 4.4Å; C442-H459 WeakPolarHBondContact CB-CE1 3.37Å; C442-H459 WeakPolarHBondContact CB-NE2 3.4Å; C442-H459 PolarHBondContact SG-CE1 3.16Å; C442-H459 PolarHBondContact SG-NE2 2.33Å; H455-H459 AromaticContact CD2-NE2 3.51Å; H455-H459 AromaticContact CE1-NE2 3Å; H455-H459 PolarHBondContact CE1-NE2 2.69Å; H455-H459 AromaticContact NE2-CD2 3.86Å; H455-H459 AromaticContact NE2-NE2 2.44Å; H455-H459 PolarHBondContact NE2-NE2 3.48Å; W456-H459 AromaticContact CD1-CD2 3.94Å; W456-H459 PolarHBondContact O-N 2.8Å; W456-H459 VanDerWaalsContact O-N 3.08Å; H459-L461 PolarHBondContact O-N 2.93Å
460	L	64.8	Low	62.8	Low	133 Å²	133	82.5 Å²	82.5	70%	0.696	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-1.6	173.9	-141.1	77.6	0	0	0	114.8	W456 M458	W456-L460 PolarHBondContact O-N 2.87Å; M458-L460 PolarHBondContact O-N 3.09Å
461	L	60.8	Low	62.4	Low	93 Å²	93	79.9 Å²	79.9	49%	0.487	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-36	179.7	-106.8	64.6	0	0	0	112.5	M458 H459 L548	M458-L461 WeakPolarHBondContact O-CA 3.48Å; M458-L461 WeakPolarHBondContact O-CB 3.4Å; M458-L461 PolarHBondContact O-N 2.97Å; H459-L461 PolarHBondContact O-N 2.93Å; L461-L548 HydrophobicContact CD2-CD1 3.99Å; L461-L548 HydrophobicContact CD2-CD2 4.31Å
462	D	47.6	Very low	61.9	Low	106 Å²	106	85.3 Å²	85.3	57%	0.567	48%	0.479	S	S	*	.	S	Bend	trans	-129.7	49	-164.7	-62.8	-53.9	0	0	0	112.7	M458	M458-D462 WeakPolarHBondContact CE-OD2 3.39Å; M458-D462 PolarHBondContact O-N 3.26Å
463	C	37.4	Very low	61.8	Low	96 Å²	96	89.4 Å²	89.4	65%	0.649	50%	0.498	S	S	*	.			trans	-155.3	144.3	164.7	-127.9	0	0	0	0	112.9
464	P	36.4	Very low	61.8	Low	98 Å²	98	85.1 Å²	85.1	64%	0.636	48%	0.481	S	S	*	.			trans	-69.9	163.8	171.3	30.5	-35.3	0	0	0	112.3	S466	P464-S466 PolarHBondContact O-N 2.94Å
465	P	48.2	Very low	61.8	Low	139 Å²	139	83 Å²	83	90%	0.903	47%	0.47	S	S	*	.	S	Bend	trans	-75.9	79.5	-168.4	31.1	-37.1	0	0	0	113.6
466	S	41.3	Very low	61.7	Low	96 Å²	96	87 Å²	87	67%	0.671	49%	0.487	S	S	*	.			trans	-140.2	33.1	171.7	70.5	0	0	0	0	113.7	P464	P464-S466 PolarHBondContact O-N 2.94Å
467	A	47.4	Very low	61.9	Low	51 Å²	51	87.8 Å²	87.8	42%	0.421	50%	0.498	S	S	.	.			trans	-147.7	103.5	165.9	0	0	0	0	0	109	E439 L469	E439-A467 WeakPolarHBondContact OE2-CB 3.45Å; A467-L469 PolarHBondContact O-N 3.34Å
468	T	54.8	Low	62.1	Low	132 Å²	132	85.4 Å²	85.4	81%	0.81	48%	0.481	S	S	*	.			trans	-100	50.3	-166.9	55.3	0	0	0	0	112.7
469	L	52.4	Low	62.5	Low	69 Å²	69	88.9 Å²	88.9	36%	0.361	50%	0.495	S	S	.	.			trans	-90.8	116.3	171.9	-69.2	177.5	0	0	0	110.3	P438 A467 E473	P438-L469 HydrophobicContact CB-CD1 3.81Å; A467-L469 PolarHBondContact O-N 3.34Å; L469-E473 HydrophobicContact CD2-CB 4.36Å
470	T	70.6	Confident	62.7	Low	70 Å²	70	90.9 Å²	90.9	43%	0.429	50%	0.504	S	S	.	.			trans	-69.3	162.7	179.9	60.5	0	0	0	0	112.5	E472 E473 F474	T470-E472 PolarHBondContact O-N 3.47Å; T470-E473 WeakPolarHBondContact CB-OE2 3.35Å; T470-E473 WeakPolarHBondContact CG2-OE2 3.1Å; T470-E473 PolarHBondContact N-OE2 3Å; T470-E473 PolarHBondContact O-N 2.94Å; T470-E473 WeakPolarHBondContact OG1-CG 3.19Å; T470-E473 PolarHBondContact OG1-N 3.37Å; T470-E473 VanDerWaalsContact OG1-N 3.13Å; T470-E473 PolarHBondContact OG1-OE2 2.99Å; T470-F474 PolarHBondContact O-N 3.45Å
471	E	68.9	Low	63	Low	129 Å²	129	86 Å²	86	60%	0.603	48%	0.482	S	S	*	.	H	α-helix	trans	-60.9	-27.6	171.7	-179.7	165.5	-167.1	0	0	111.7	W456 N475	W456-E471 HydrophobicContact CH2-CB 4.5Å; E471-N475 VanDerWaalsContact CG-ND2 3.27Å; E471-N475 WeakPolarHBondContact CG-ND2 2.99Å; E471-N475 WeakPolarHBondContact O-CB 3.23Å; E471-N475 PolarHBondContact O-N 3.43Å; E471-N475 PolarHBondContact O-ND2 2.81Å
472	E	72.6	Confident	63.2	Low	162 Å²	162	82.5 Å²	82.5	76%	0.757	46%	0.464	S	S	*	.	H	α-helix	trans	-69.5	-48.3	175.1	-61.8	-171.8	179.4	0	0	111.7	T470 F474 N475 K476	T470-E472 PolarHBondContact O-N 3.47Å; E472-F474 VanDerWaalsContact C-N 3.35Å; E472-F474 PolarHBondContact O-N 3.31Å; E472-N475 PolarHBondContact O-N 3.19Å; E472-K476 WeakPolarHBondContact O-CB 3.15Å; E472-K476 PolarHBondContact O-N 2.86Å
473	E	76.3	Confident	64.4	Low	89 Å²	89	82.1 Å²	82.1	42%	0.416	46%	0.459	S	S	.	.	H	α-helix	trans	-62.7	-39.6	175.3	-71.2	161.9	118.3	0	0	112.1	L469 T470 K476 A477	L469-E473 HydrophobicContact CD2-CB 4.36Å; T470-E473 WeakPolarHBondContact CB-OE2 3.35Å; T470-E473 WeakPolarHBondContact CG2-OE2 3.1Å; T470-E473 PolarHBondContact N-OE2 3Å; T470-E473 PolarHBondContact O-N 2.94Å; T470-E473 WeakPolarHBondContact OG1-CG 3.19Å; T470-E473 PolarHBondContact OG1-N 3.37Å; T470-E473 VanDerWaalsContact OG1-N 3.13Å; T470-E473 PolarHBondContact OG1-OE2 2.99Å; E473-K476 PolarHBondContact O-N 2.96Å; E473-A477 WeakPolarHBondContact O-CB 3.39Å; E473-A477 PolarHBondContact O-N 3.29Å
474	F	77.2	Confident	66	Low	5 Å²	5	85.3 Å²	85.3	2%	0.022	46%	0.462	C	S	.	.	H	α-helix	trans	-61.4	-44.9	172.8	174	-98.4	0	0	0	112.1	P438 L452 W456 T470 E472 K476 L478	P438-F474 HydrophobicContact CG-CD2 4.11Å; L452-F474 HydrophobicContact CD2-CE2 4.49Å; L452-F474 HydrophobicContact CG-CE2 4.41Å; L452-F474 HydrophobicContact CG-CZ 4.43Å; W456-F474 HydrophobicContact CB-CE2 3.76Å; W456-F474 HydrophobicContact CB-CZ 4.01Å; W456-F474 HydrophobicContact CD2-CB 4.48Å; W456-F474 HydrophobicContact CD2-CD1 4.2Å; W456-F474 AromaticContact CD2-CD2 3.38Å; W456-F474 HydrophobicContact CD2-CD2 3.38Å; W456-F474 HydrophobicContact CD2-CE1 4.28Å; W456-F474 AromaticContact CD2-CE2 3.49Å; W456-F474 HydrophobicContact CD2-CE2 3.49Å; W456-F474 VanDerWaalsContact CD2-CE2 3.49Å; W456-F474 AromaticContact CD2-CG 3.76Å; W456-F474 HydrophobicContact CD2-CG 3.76Å; W456-F474 AromaticContact CD2-CZ 3.95Å; W456-F474 HydrophobicContact CD2-CZ 3.95Å; W456-F474 AromaticContact CE2-CD2 3.57Å; W456-F474 AromaticContact CE2-CG 3.91Å; W456-F474 HydrophobicContact CE3-CB 4.29Å; W456-F474 AromaticContact CE3-CD1 3.54Å; W456-F474 HydrophobicContact CE3-CD1 3.54Å; W456-F474 AromaticContact CE3-CD2 3.63Å; W456-F474 HydrophobicContact CE3-CD2 3.63Å; W456-F474 AromaticContact CE3-CE1 3.63Å; W456-F474 HydrophobicContact CE3-CE1 3.63Å; W456-F474 AromaticContact CE3-CE2 3.74Å; W456-F474 HydrophobicContact CE3-CE2 3.74Å; W456-F474 AromaticContact CE3-CG 3.53Å; W456-F474 HydrophobicContact CE3-CG 3.53Å; W456-F474 AromaticContact CE3-CZ 3.74Å; W456-F474 HydrophobicContact CE3-CZ 3.74Å; W456-F474 AromaticContact CG-CD2 3.8Å; W456-F474 HydrophobicContact CG-CD2 3.8Å; W456-F474 AromaticContact CG-CE2 3.5Å; W456-F474 HydrophobicContact CG-CE2 3.5Å; W456-F474 HydrophobicContact CG-CZ 4.09Å; W456-F474 HydrophobicContact CH2-CB 3.47Å; W456-F474 VanDerWaalsContact CH2-CB 3.47Å; W456-F474 HydrophobicContact CH2-CD1 4.12Å; W456-F474 HydrophobicContact CH2-CD2 4.23Å; W456-F474 AromaticContact CH2-CG 3.69Å; W456-F474 HydrophobicContact CH2-CG 3.69Å; W456-F474 HydrophobicContact CZ2-CB 3.67Å; W456-F474 HydrophobicContact CZ2-CD2 4.01Å; W456-F474 AromaticContact CZ2-CG 3.89Å; W456-F474 HydrophobicContact CZ2-CG 3.89Å; W456-F474 HydrophobicContact CZ3-CB 3.8Å; W456-F474 AromaticContact CZ3-CD1 3.49Å; W456-F474 HydrophobicContact CZ3-CD1 3.49Å; W456-F474 VanDerWaalsContact CZ3-CD1 3.49Å; W456-F474 HydrophobicContact CZ3-CD2 4.05Å; W456-F474 HydrophobicContact CZ3-CE1 4.03Å; W456-F474 AromaticContact CZ3-CG 3.49Å; W456-F474 HydrophobicContact CZ3-CG 3.49Å; W456-F474 VanDerWaalsContact CZ3-CG 3.49Å; T470-F474 PolarHBondContact O-N 3.45Å; E472-F474 VanDerWaalsContact C-N 3.35Å; E472-F474 PolarHBondContact O-N 3.31Å; F474-K476 VanDerWaalsContact C-N 3.34Å; F474-L478 HydrophobicContact CD1-CD2 4.45Å; F474-L478 HydrophobicContact CD2-CD1 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.95Å; F474-L478 HydrophobicContact CE1-CD2 3.78Å; F474-L478 HydrophobicContact CE2-CD1 3.82Å; F474-L478 HydrophobicContact CZ-CD1 3.55Å; F474-L478 HydrophobicContact CZ-CD2 4.12Å; F474-L478 WeakPolarHBondContact O-CB 3.43Å; F474-L478 PolarHBondContact O-N 2.91Å
475	N	75.4	Confident	67.2	Low	55 Å²	55	81.9 Å²	81.9	29%	0.294	44%	0.437	S	S	.	.	H	α-helix	trans	-69.7	-30.9	177.3	-77.3	-71.2	0	0	0	112.2	R453 E471 E472 L478 K479	R453-N475 PolarHBondContact NH2-OD1 3.12Å; E471-N475 VanDerWaalsContact CG-ND2 3.27Å; E471-N475 WeakPolarHBondContact CG-ND2 2.99Å; E471-N475 WeakPolarHBondContact O-CB 3.23Å; E471-N475 PolarHBondContact O-N 3.43Å; E471-N475 PolarHBondContact O-ND2 2.81Å; E472-N475 PolarHBondContact O-N 3.19Å; N475-L478 WeakPolarHBondContact O-CB 3.35Å; N475-K479 WeakPolarHBondContact O-CB 3.47Å; N475-K479 PolarHBondContact O-N 3.32Å
476	K	77.8	Confident	67.7	Low	121 Å²	121	80.1 Å²	80.1	53%	0.526	42%	0.42	S	S	.	.	H	α-helix	trans	-65.4	-50.8	171.8	-178	176.1	178.1	-68.3	0	111.5	E472 E473 F474 L478 K479 E480	E472-K476 WeakPolarHBondContact O-CB 3.15Å; E472-K476 PolarHBondContact O-N 2.86Å; E473-K476 PolarHBondContact O-N 2.96Å; F474-K476 VanDerWaalsContact C-N 3.34Å; K476-L478 VanDerWaalsContact C-N 3.29Å; K476-L478 PolarHBondContact O-N 3.05Å; K476-K479 WeakPolarHBondContact O-CB 3.41Å; K476-K479 PolarHBondContact O-N 3.37Å; K476-E480 WeakPolarHBondContact CE-OE1 3.42Å; K476-E480 IonicContact NZ-OE1 2.64Å; K476-E480 PolarHBondContact NZ-OE1 3.39Å; K476-E480 IonicContact NZ-OE2 3.92Å; K476-E480 WeakPolarHBondContact O-CG 3.27Å; K476-E480 PolarHBondContact O-N 3.47Å
477	A	75.5	Confident	68.7	Low	38 Å²	38	78.7 Å²	78.7	31%	0.314	41%	0.414	S	S	.	.	H	α-helix	trans	-61	-36.5	175.4	0	0	0	0	0	112.3	P438 E473 A481	P438-A477 HydrophobicContact CG-CB 4.41Å; E473-A477 WeakPolarHBondContact O-CB 3.39Å; E473-A477 PolarHBondContact O-N 3.29Å; A477-A481 VanDerWaalsContact O-CB 3.31Å; A477-A481 WeakPolarHBondContact O-CB 3.46Å; A477-A481 PolarHBondContact O-N 3.15Å
478	L	79	Confident	69.2	Low	7 Å²	7	82 Å²	82	4%	0.037	42%	0.422	C	S	.	.	H	α-helix	trans	-58.6	-51	169.6	-117.1	60.8	0	0	0	111.5	R449 L452 F474 N475 K476 A481 D482	R449-L478 HydrophobicContact CG-CD2 3.71Å; R449-L478 HydrophobicContact CG-CG 3.89Å; L452-L478 HydrophobicContact CD2-CD1 3.66Å; F474-L478 HydrophobicContact CD1-CD2 4.45Å; F474-L478 HydrophobicContact CD2-CD1 4.41Å; F474-L478 HydrophobicContact CE1-CD1 3.95Å; F474-L478 HydrophobicContact CE1-CD2 3.78Å; F474-L478 HydrophobicContact CE2-CD1 3.82Å; F474-L478 HydrophobicContact CZ-CD1 3.55Å; F474-L478 HydrophobicContact CZ-CD2 4.12Å; F474-L478 WeakPolarHBondContact O-CB 3.43Å; F474-L478 PolarHBondContact O-N 2.91Å; N475-L478 WeakPolarHBondContact O-CB 3.35Å; K476-L478 VanDerWaalsContact C-N 3.29Å; K476-L478 PolarHBondContact O-N 3.05Å; L478-A481 PolarHBondContact O-N 3.47Å; L478-D482 PolarHBondContact O-N 3.05Å
479	K	76	Confident	69.2	Low	123 Å²	123	79.3 Å²	79.3	54%	0.535	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-44.9	-179.2	-179.1	-176.4	165.9	-172.7	0	111.3	N475 K476 A481 D482 E483	N475-K479 WeakPolarHBondContact O-CB 3.47Å; N475-K479 PolarHBondContact O-N 3.32Å; K476-K479 WeakPolarHBondContact O-CB 3.41Å; K476-K479 PolarHBondContact O-N 3.37Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.08Å; K479-D482 PolarHBondContact O-N 3.05Å; K479-E483 VanDerWaalsContact CE-CD 3.5Å; K479-E483 WeakPolarHBondContact CE-OE1 3.27Å; K479-E483 HydrophobicContact CG-CG 4.41Å; K479-E483 IonicContact NZ-OE1 3.69Å; K479-E483 WeakPolarHBondContact O-CB 3.45Å; K479-E483 WeakPolarHBondContact O-CG 3.45Å; K479-E483 PolarHBondContact O-N 2.97Å
480	E	76.4	Confident	68.7	Low	97 Å²	97	83.5 Å²	83.5	45%	0.453	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-38.4	176.4	-72.1	170.9	-178.4	0	0	112	K476 E483 K484	K476-E480 WeakPolarHBondContact CE-OE1 3.42Å; K476-E480 IonicContact NZ-OE1 2.64Å; K476-E480 PolarHBondContact NZ-OE1 3.39Å; K476-E480 IonicContact NZ-OE2 3.92Å; K476-E480 WeakPolarHBondContact O-CG 3.27Å; K476-E480 PolarHBondContact O-N 3.47Å; E480-E483 PolarHBondContact O-N 3.18Å; E480-K484 WeakPolarHBondContact O-CB 3.3Å; E480-K484 PolarHBondContact O-N 2.81Å
481	A	70.3	Confident	67	Low	29 Å²	29	89.5 Å²	89.5	24%	0.24	43%	0.428	C	S	.	.	H	α-helix	trans	-67.8	-39.2	173.3	0	0	0	0	0	112.6	A477 L478 K479 Y485	A477-A481 VanDerWaalsContact O-CB 3.31Å; A477-A481 WeakPolarHBondContact O-CB 3.46Å; A477-A481 PolarHBondContact O-N 3.15Å; L478-A481 PolarHBondContact O-N 3.47Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.08Å; A481-Y485 WeakPolarHBondContact O-CB 3.44Å; A481-Y485 PolarHBondContact O-N 3.33Å
482	D	65.1	Low	65.3	Low	20 Å²	20	90.3 Å²	90.3	11%	0.107	43%	0.431	C	S	.	.	H	α-helix	trans	-66.6	-41	173.4	-74	-68.5	0	0	0	111.8	R449 L478 K479 Y485 N486	R449-D482 VanDerWaalsContact CZ-CG 3.45Å; R449-D482 IonicContact CZ-OD1 2.74Å; R449-D482 IonicContact CZ-OD2 3.16Å; R449-D482 IonicContact NE-OD1 2.99Å; R449-D482 PolarHBondContact NE-OD1 3.42Å; R449-D482 IonicContact NE-OD2 3.37Å; R449-D482 PolarHBondContact NE-OD2 2.97Å; R449-D482 IonicContact NH1-OD2 3.57Å; R449-D482 IonicContact NH2-OD1 3.05Å; R449-D482 PolarHBondContact NH2-OD1 3.04Å; R449-D482 IonicContact NH2-OD2 2.75Å; R449-D482 PolarHBondContact NH2-OD2 2.84Å; L478-D482 PolarHBondContact O-N 3.05Å; K479-D482 PolarHBondContact O-N 3.05Å; D482-Y485 PolarHBondContact O-N 3.16Å; D482-N486 WeakPolarHBondContact O-CB 3.5Å; D482-N486 PolarHBondContact O-N 3.05Å; D482-N486 PolarHBondContact O-ND2 3.25Å; D482-N486 VanDerWaalsContact O-ND2 3.09Å
483	E	74.6	Confident	63.4	Low	99 Å²	99	88.1 Å²	88.1	46%	0.463	43%	0.429	S	S	.	.	H	α-helix	trans	-68.7	-45.2	177.5	-76.2	174.3	167.9	0	0	111.3	K479 E480 Y485 N486 A487	K479-E483 VanDerWaalsContact CE-CD 3.5Å; K479-E483 WeakPolarHBondContact CE-OE1 3.27Å; K479-E483 HydrophobicContact CG-CG 4.41Å; K479-E483 IonicContact NZ-OE1 3.69Å; K479-E483 WeakPolarHBondContact O-CB 3.45Å; K479-E483 WeakPolarHBondContact O-CG 3.45Å; K479-E483 PolarHBondContact O-N 2.97Å; E480-E483 PolarHBondContact O-N 3.18Å; E483-Y485 VanDerWaalsContact C-N 3.29Å; E483-Y485 PolarHBondContact O-N 3.18Å; E483-N486 PolarHBondContact O-N 3.3Å; E483-A487 VanDerWaalsContact O-CB 3.25Å; E483-A487 WeakPolarHBondContact O-CB 3.4Å; E483-A487 PolarHBondContact O-N 2.86Å
484	K	69.6	Low	61.1	Low	163 Å²	163	90.5 Å²	90.5	71%	0.709	44%	0.444	S	S	*	.	H	α-helix	trans	-58.6	-40.1	171.4	-175.9	174.1	-179	175.3	0	111.7	E480 M488	E480-K484 WeakPolarHBondContact O-CB 3.3Å; E480-K484 PolarHBondContact O-N 2.81Å; K484-M488 VanDerWaalsContact O-CB 3.25Å; K484-M488 WeakPolarHBondContact O-CB 3.36Å; K484-M488 PolarHBondContact O-N 3.03Å
485	Y	61.5	Low	58.7	Low	25 Å²	25	96.6 Å²	96.6	10%	0.098	48%	0.477	C	S	.	.	H	α-helix	trans	-67.6	-44.9	175.7	177.5	-96.9	0	0	0	112.6	M423 R427 P434 A481 D482 E483 A487 M488 Y489	M423-Y485 WeakPolarHBondContact CG-OH 3.44Å; M423-Y485 PolarHBondContact SD-OH 3.48Å; M423-Y485 VanDerWaalsContact SD-OH 3.32Å; R427-Y485 PolarHBondContact NH2-OH 3.38Å; P434-Y485 HydrophobicContact CB-CD2 4.28Å; P434-Y485 HydrophobicContact CG-CD2 4.13Å; P434-Y485 HydrophobicContact CG-CE2 4.27Å; A481-Y485 WeakPolarHBondContact O-CB 3.44Å; A481-Y485 PolarHBondContact O-N 3.33Å; D482-Y485 PolarHBondContact O-N 3.16Å; E483-Y485 VanDerWaalsContact C-N 3.29Å; E483-Y485 PolarHBondContact O-N 3.18Å; Y485-A487 VanDerWaalsContact C-N 3.3Å; Y485-A487 PolarHBondContact O-N 3.14Å; Y485-M488 PolarHBondContact O-N 3Å; Y485-Y489 HydrophobicContact CD2-CD2 4.01Å; Y485-Y489 HydrophobicContact CD2-CE2 4.28Å; Y485-Y489 HydrophobicContact CE1-CD2 4.38Å; Y485-Y489 AromaticContact CE2-CD2 3.4Å; Y485-Y489 HydrophobicContact CE2-CD2 3.4Å; Y485-Y489 VanDerWaalsContact CE2-CD2 3.4Å; Y485-Y489 AromaticContact CE2-CE2 3.5Å; Y485-Y489 HydrophobicContact CE2-CE2 3.5Å; Y485-Y489 AromaticContact CZ-CD2 3.59Å; Y485-Y489 AromaticContact CZ-CE2 3.98Å; Y485-Y489 PolarHBondContact O-N 3.42Å
486	N	59.7	Low	56.4	Low	102 Å²	102	99.2 Å²	99.2	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-68	-29.3	178.1	-67.8	-27.2	0	0	0	112.3	D482 E483 Y489 K490	D482-N486 WeakPolarHBondContact O-CB 3.5Å; D482-N486 PolarHBondContact O-N 3.05Å; D482-N486 PolarHBondContact O-ND2 3.25Å; D482-N486 VanDerWaalsContact O-ND2 3.09Å; E483-N486 PolarHBondContact O-N 3.3Å; N486-Y489 CarbonylContact O-C 3.25Å; N486-Y489 VanDerWaalsContact O-C 3.25Å; N486-K490 PolarHBondContact O-N 3.45Å
487	A	62.2	Low	53.8	Low	66 Å²	66	99.4 Å²	99.4	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-76.9	-40.2	172.8	0	0	0	0	0	112.4	E483 Y485 Y489 K490	E483-A487 VanDerWaalsContact O-CB 3.25Å; E483-A487 WeakPolarHBondContact O-CB 3.4Å; E483-A487 PolarHBondContact O-N 2.86Å; Y485-A487 VanDerWaalsContact C-N 3.3Å; Y485-A487 PolarHBondContact O-N 3.14Å; A487-Y489 VanDerWaalsContact C-N 3.26Å; A487-Y489 PolarHBondContact O-N 3.41Å; A487-K490 WeakPolarHBondContact O-CB 3.37Å; A487-K490 PolarHBondContact O-N 2.86Å
488	M	57.3	Low	51.5	Low	122 Å²	122	102.8 Å²	102.8	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-64.1	-32.6	174.6	-169.3	179.9	86.4	0	0	112	K484 Y485	K484-M488 VanDerWaalsContact O-CB 3.25Å; K484-M488 WeakPolarHBondContact O-CB 3.36Å; K484-M488 PolarHBondContact O-N 3.03Å; Y485-M488 PolarHBondContact O-N 3Å
489	Y	55.4	Low	49	Very low	74 Å²	74	107.1 Å²	107.1	29%	0.29	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.8	39.6	168.3	-71.2	-74.3	0	0	0	112.2	E432 Y485 N486 A487 W491	E432-Y489 PolarHBondContact OE1-OH 2.86Å; Y485-Y489 HydrophobicContact CD2-CD2 4.01Å; Y485-Y489 HydrophobicContact CD2-CE2 4.28Å; Y485-Y489 HydrophobicContact CE1-CD2 4.38Å; Y485-Y489 AromaticContact CE2-CD2 3.4Å; Y485-Y489 HydrophobicContact CE2-CD2 3.4Å; Y485-Y489 VanDerWaalsContact CE2-CD2 3.4Å; Y485-Y489 AromaticContact CE2-CE2 3.5Å; Y485-Y489 HydrophobicContact CE2-CE2 3.5Å; Y485-Y489 AromaticContact CZ-CD2 3.59Å; Y485-Y489 AromaticContact CZ-CE2 3.98Å; Y485-Y489 PolarHBondContact O-N 3.42Å; N486-Y489 CarbonylContact O-C 3.25Å; N486-Y489 VanDerWaalsContact O-C 3.25Å; A487-Y489 VanDerWaalsContact C-N 3.26Å; A487-Y489 PolarHBondContact O-N 3.41Å; Y489-W491 PolarHBondContact O-N 3.01Å; Y489-W491 PolarHBondContact O-NE1 3.06Å
490	K	40.5	Very low	46.5	Very low	157 Å²	157	107.1 Å²	107.1	68%	0.683	56%	0.562	S	S	*	*			trans	-66.8	102.2	165.5	-177.6	-172	178	-164.9	0	107.4	N486 A487 E492	N486-K490 PolarHBondContact O-N 3.45Å; A487-K490 WeakPolarHBondContact O-CB 3.37Å; A487-K490 PolarHBondContact O-N 2.86Å; K490-E492 VanDerWaalsContact C-N 3.35Å; K490-E492 PolarHBondContact O-N 3.07Å
491	W	36.8	Very low	44.1	Very low	197 Å²	197	110.1 Å²	110.1	75%	0.746	58%	0.582	S	S	*	*			trans	-66.8	93.9	176.1	-55.6	87	0	0	0	109.6	M423 Y489 T493	M423-W491 HydrophobicContact CE-CH2 4.21Å; M423-W491 HydrophobicContact CE-CZ2 3.68Å; Y489-W491 PolarHBondContact O-N 3.01Å; Y489-W491 PolarHBondContact O-NE1 3.06Å; W491-T493 PolarHBondContact O-N 2.98Å
492	E	33	Very low	41.9	Very low	145 Å²	145	117.1 Å²	117.1	68%	0.678	61%	0.607	S	S	*	*			trans	-55.7	129	142.2	-69.2	-178.7	171.3	0	0	106.9	K490 L494	K490-E492 VanDerWaalsContact C-N 3.35Å; K490-E492 PolarHBondContact O-N 3.07Å; E492-L494 PolarHBondContact O-N 3.03Å
493	T	32.6	Very low	39.9	Very low	117 Å²	117	123.2 Å²	123.2	72%	0.718	64%	0.639	S	S	*	*			trans	-73.2	77.3	173.6	45.1	0	0	0	0	108.1	W491 D495	W491-T493 PolarHBondContact O-N 2.98Å; T493-D495 PolarHBondContact O-N 3.08Å
494	L	28.4	Very low	37.5	Very low	139 Å²	139	124.4 Å²	124.4	73%	0.728	65%	0.649	S	S	*	*			trans	-63.3	91.5	162	-74.5	170.9	0	0	0	106.8	E492 V496	E492-L494 PolarHBondContact O-N 3.03Å; L494-V496 HydrophobicContact CB-CG2 4.28Å; L494-V496 PolarHBondContact O-N 3.04Å
495	D	26.7	Very low	35.3	Very low	132 Å²	132	124 Å²	124	71%	0.706	65%	0.653	S	S	*	*			trans	-69.1	72	173.4	-73	-40.4	0	0	0	109.2	T493 N497	T493-D495 PolarHBondContact O-N 3.08Å; D495-N497 PolarHBondContact O-N 2.65Å
496	V	25.5	Very low	33.3	Very low	110 Å²	110	129.3 Å²	129.3	67%	0.667	69%	0.688	S	S	*	*			trans	-72.1	69.5	167.8	-171.3	0	0	0	0	107.8	L494 C498	L494-V496 HydrophobicContact CB-CG2 4.28Å; L494-V496 PolarHBondContact O-N 3.04Å; V496-C498 HydrophobicContact CG1-CB 4.11Å; V496-C498 PolarHBondContact O-N 3.16Å
497	N	24.2	Very low	31.5	Very low	125 Å²	125	129.2 Å²	129.2	67%	0.668	69%	0.694	S	S	*	*			trans	-61.7	76.3	152	-76	-40.9	0	0	0	107.1	D495 S499	D495-N497 PolarHBondContact O-N 2.65Å; N497-S499 PolarHBondContact O-N 3.41Å
498	C	26.3	Very low	29.4	Very low	110 Å²	110	131.5 Å²	131.5	74%	0.743	71%	0.706	S	S	*	*			trans	-69.8	79.9	167.4	-109.9	0	0	0	0	107.6	V496	V496-C498 HydrophobicContact CG1-CB 4.11Å; V496-C498 PolarHBondContact O-N 3.16Å
499	S	26.7	Very low	27.6	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	72%	0.716	S	S	*	*			trans	-51	145.4	172.3	-65.9	0	0	0	0	110.4	N497 N501	N497-S499 PolarHBondContact O-N 3.41Å; S499-N501 VanDerWaalsContact C-N 3.35Å; S499-N501 PolarHBondContact O-N 2.81Å
500	V	23.8	Very low	25.9	Very low	122 Å²	122	136.6 Å²	136.6	74%	0.739	74%	0.741	S	S	*	*			trans	-72.4	88.5	-177.5	179.3	0	0	0	0	109.9	K502	V500-K502 HydrophobicContact CG1-CD 4.42Å; V500-K502 HydrophobicContact CG1-CG 3.85Å; V500-K502 PolarHBondContact O-N 3.13Å
501	N	26.2	Very low	24.9	Very low	160 Å²	160	136 Å²	136	86%	0.856	75%	0.745	S	S	*	*			trans	-77.2	81.9	157.1	-81.9	11.9	0	0	0	108.5	S499 D503	S499-N501 VanDerWaalsContact C-N 3.35Å; S499-N501 PolarHBondContact O-N 2.81Å; N501-D503 PolarHBondContact O-N 3.33Å
502	K	23.2	Very low	24.1	Very low	177 Å²	177	131.8 Å²	131.8	77%	0.77	75%	0.746	S	S	*	*			trans	-63.9	105.3	148.1	-79.6	170.1	-179.9	175.5	0	106.4	V500	V500-K502 HydrophobicContact CG1-CD 4.42Å; V500-K502 HydrophobicContact CG1-CG 3.85Å; V500-K502 PolarHBondContact O-N 3.13Å
503	D	23.7	Very low	23.5	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	75%	0.746	S	S	*	*			trans	-165.2	154.4	140.1	-101.2	-29.6	0	0	0	112	N501	N501-D503 PolarHBondContact O-N 3.33Å
504	N	24	Very low	23.2	Very low	125 Å²	125	133.6 Å²	133.6	67%	0.668	76%	0.756	S	S	*	*			trans	-44.6	129.1	-167.1	-56	-63.9	0	0	0	117.4
505	I	24.7	Very low	22.9	Very low	154 Å²	154	134.9 Å²	134.9	79%	0.79	76%	0.755	S	S	*	*				-139.2	122.5	124.4	-78.6	107.7	0	0	0	108.9
506	T	19.1	Very low	22.6	Very low	137 Å²	137	135.3 Å²	135.3	84%	0.84	76%	0.758	S	S	*	*			trans	-126	97.9	164.8	46.9	0	0	0	0	110.5
507	C	20.3	Very low	22.6	Very low	99 Å²	99	137.5 Å²	137.5	67%	0.669	77%	0.766	S	S	*	*			trans	-148.5	131.5	157.4	48.6	0	0	0	0	106.7
508	S	20.1	Very low	22.4	Very low	115 Å²	115	139.8 Å²	139.8	80%	0.804	78%	0.778	S	S	*	*				66.1	113.5	52.8	-59.9	0	0	0	0	112
509	N	18.6	Very low	22.4	Very low	149 Å²	149	140 Å²	140	80%	0.797	78%	0.775	S	S	*	*			trans	1.1	127	168.5	-64.2	-16.1	0	0	0	117.8
510	N	20.5	Very low	22.3	Very low	153 Å²	153	142 Å²	142	82%	0.818	78%	0.779	S	S	*	*				-162.9	118.2	105.9	-95.3	-34.7	0	0	0	114.2
511	N	18.1	Very low	22.2	Very low	145 Å²	145	143 Å²	143	78%	0.775	79%	0.785	S	S	*	*				14.6	109.1	127.5	-170.1	28.4	0	0	0	118.1
512	S	21.1	Very low	22.2	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	78%	0.781	S	S	*	*			trans	-161	140.8	132.8	-87.1	0	0	0	0	113.1
513	N	20.1	Very low	22.1	Very low	127 Å²	127	141.6 Å²	141.6	68%	0.679	78%	0.782	S	S	*	*			trans	-15.7	130.6	167.8	-51.9	-59.7	0	0	0	117.9
514	D	25.6	Very low	22	Very low	173 Å²	173	139.5 Å²	139.5	93%	0.925	78%	0.779	S	S	*	*				-129.1	113.9	118.8	-114.3	-35.9	0	0	0	109.2
515	K	21.7	Very low	21.9	Very low	166 Å²	166	142.8 Å²	142.8	72%	0.722	79%	0.79	S	S	*	*			trans	-102.9	128.6	170	-80.3	-174.7	178.4	179.7	0	107.8
516	N	21.4	Very low	21.8	Very low	142 Å²	142	141.1 Å²	141.1	76%	0.759	79%	0.792	S	S	*	*			trans	136	114.1	146.8	-69.2	-22.7	0	0	0	111.2
517	N	25.9	Very low	22.3	Very low	156 Å²	156	140 Å²	140	83%	0.834	79%	0.79	S	S	*	*				-173.6	60.5	123.9	-91.4	-29.6	0	0	0	111.2	V519	N517-V519 VanDerWaalsContact C-N 3.3Å; N517-V519 PolarHBondContact O-N 3.44Å
518	D	19.7	Very low	22.5	Very low	173 Å²	173	145.2 Å²	145.2	93%	0.925	80%	0.804	S	S	*	*			trans	-76.1	77.5	165.4	-79.8	-55.7	0	0	0	110.6
519	V	24.8	Very low	22.9	Very low	113 Å²	113	144.6 Å²	144.6	69%	0.685	80%	0.8	S	S	*	*			trans	-137.3	89	168.7	-171	0	0	0	0	111.5	N517	N517-V519 VanDerWaalsContact C-N 3.3Å; N517-V519 PolarHBondContact O-N 3.44Å
520	N	25.3	Very low	23.2	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	80%	0.8	S	S	*	*				-175.1	66.1	121	-97.2	-51.8	0	0	0	111.6	V522	N520-V522 PolarHBondContact O-N 3.17Å
521	T	21.6	Very low	23.5	Very low	142 Å²	142	141.4 Å²	141.4	87%	0.871	80%	0.796	S	S	*	*			trans	-79.1	100.3	161.7	-64.7	0	0	0	0	108.4	K523	T521-K523 PolarHBondContact O-N 3.15Å
522	V	26.7	Very low	24	Very low	127 Å²	127	140.4 Å²	140.4	77%	0.77	80%	0.795	S	S	*	*			trans	-78	116.3	170.9	179.9	0	0	0	0	108.9	N520 S524	N520-V522 PolarHBondContact O-N 3.17Å; V522-S524 PolarHBondContact O-N 3.29Å
523	K	20.9	Very low	24.2	Very low	180 Å²	180	142.6 Å²	142.6	78%	0.783	80%	0.796	S	S	*	*			trans	-51.1	116	170.6	-78.6	177.1	-179.4	177.7	0	109.8	T521	T521-K523 PolarHBondContact O-N 3.15Å
524	S	21.8	Very low	24.4	Very low	104 Å²	104	140.6 Å²	140.6	73%	0.727	79%	0.79	S	S	*	*				67.2	97	85.5	79.4	0	0	0	0	114	V522	V522-S524 PolarHBondContact O-N 3.29Å
525	E	22.5	Very low	24.4	Very low	194 Å²	194	136.6 Å²	136.6	91%	0.907	77%	0.769	S	S	*	*			trans	-117.6	125.9	150.8	-71.2	-165.6	160.1	0	0	108.9
526	S	21.7	Very low	25	Very low	119 Å²	119	133.4 Å²	133.4	83%	0.832	77%	0.765	S	S	*	*			trans	-93.1	110.9	179.4	53.4	0	0	0	0	110.2
527	S	30.8	Very low	25.6	Very low	112 Å²	112	136.6 Å²	136.6	78%	0.783	77%	0.767	S	S	*	*			trans	-131	89.8	167.8	-78.1	0	0	0	0	109.6	S529	S527-S529 PolarHBondContact O-N 2.92Å; S527-S529 VanDerWaalsContact O-N 3.12Å
528	Q	23.2	Very low	25.8	Very low	210 Å²	210	133.2 Å²	133.2	98%	0.981	76%	0.76	S	S	*	*			trans	-68.5	103.4	168.9	-71.4	174.9	-30.8	0	0	108.6
529	S	28.2	Very low	26.3	Very low	101 Å²	101	131 Å²	131	71%	0.706	75%	0.748	S	S	*	*			trans	-123.4	124.3	167.5	-174.2	0	0	0	0	109.3	S527 V531	S527-S529 PolarHBondContact O-N 2.92Å; S527-S529 VanDerWaalsContact O-N 3.12Å; S529-V531 PolarHBondContact O-N 3.26Å
530	S	25.7	Very low	26.6	Very low	114 Å²	114	133.9 Å²	133.9	80%	0.797	75%	0.752	S	S	*	*			trans	-76.7	86.9	-176	53.8	0	0	0	0	110.8	V532	S530-V532 PolarHBondContact O-N 3.44Å
531	V	27.5	Very low	26.7	Very low	121 Å²	121	133.1 Å²	133.1	73%	0.733	75%	0.748	S	S	*	*			trans	-72.1	100.6	175.1	-177.3	0	0	0	0	109.5	S529 I533	S529-V531 PolarHBondContact O-N 3.26Å; V531-I533 PolarHBondContact O-N 3.49Å
532	V	27.7	Very low	27.2	Very low	125 Å²	125	134.1 Å²	134.1	76%	0.758	75%	0.746	S	S	*	*			trans	-61.3	125.5	167.3	177.4	0	0	0	0	108.4	S530 P534	S530-V532 PolarHBondContact O-N 3.44Å; V532-P534 WeakPolarHBondContact O-CD 3.45Å
533	I	24.4	Very low	27.3	Very low	153 Å²	153	137.1 Å²	137.1	79%	0.785	75%	0.749	S	S	*	*			trans	-71.7	115.6	-178.5	-56.5	172.6	0	0	0	109.1	V531	V531-I533 PolarHBondContact O-N 3.49Å
534	P	24.2	Very low	27.9	Very low	85 Å²	85	133.6 Å²	133.6	55%	0.552	75%	0.747	S	S	*	*			trans	-76.1	140.6	174.5	-11.7	30	0	0	0	110.3	V532 P536	V532-P534 WeakPolarHBondContact O-CD 3.45Å; P534-P536 WeakPolarHBondContact O-CD 3.44Å
535	D	27.4	Very low	28.3	Very low	89 Å²	89	134.8 Å²	134.8	48%	0.476	75%	0.749	S	S	.	*			trans	-58	125.1	176.1	-175.8	-40.5	0	0	0	110	R537 A538	D535-R537 PolarHBondContact O-N 3.44Å; D535-R537 VanDerWaalsContact OD1-CB 3.31Å; D535-R537 WeakPolarHBondContact OD1-CB 3.45Å; D535-R537 VanDerWaalsContact OD1-CG 3.31Å; D535-R537 WeakPolarHBondContact OD1-CG 3.38Å; D535-R537 PolarHBondContact OD1-N 2.98Å; D535-R537 IonicContact OD2-NH1 2.63Å; D535-A538 PolarHBondContact O-N 3.19Å; D535-A538 VanDerWaalsContact O-N 3.14Å
536	P	32.6	Very low	28.7	Very low	100 Å²	100	131 Å²	131	65%	0.649	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-12	-179.6	-28.4	36.2	0	0	0	116.3	P534	P534-P536 WeakPolarHBondContact O-CD 3.44Å
537	R	35	Very low	29.6	Very low	208 Å²	208	129.5 Å²	129.5	79%	0.785	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-22.3	176.6	-69.3	172.4	171.5	133.2	-7.6	114.2	D535	D535-R537 PolarHBondContact O-N 3.44Å; D535-R537 VanDerWaalsContact OD1-CB 3.31Å; D535-R537 WeakPolarHBondContact OD1-CB 3.45Å; D535-R537 VanDerWaalsContact OD1-CG 3.31Å; D535-R537 WeakPolarHBondContact OD1-CG 3.38Å; D535-R537 PolarHBondContact OD1-N 2.98Å; D535-R537 IonicContact OD2-NH1 2.63Å
538	A	30.5	Very low	30.2	Very low	85 Å²	85	129 Å²	129	70%	0.702	73%	0.727	S	S	*	*	S	Bend	trans	-86	-16.1	-169.7	0	0	0	0	0	115.9	D535 F540	D535-A538 PolarHBondContact O-N 3.19Å; D535-A538 VanDerWaalsContact O-N 3.14Å; A538-F540 PolarHBondContact O-N 3.09Å
539	L	30.3	Very low	31.9	Very low	128 Å²	128	121.9 Å²	121.9	67%	0.67	71%	0.709	S	S	*	*			trans	-92.1	8.4	-165.9	-71.7	167.6	0	0	0	115.8	N541	L539-N541 VanDerWaalsContact C-N 3.32Å; L539-N541 PolarHBondContact O-N 3.03Å
540	F	31.1	Very low	34.2	Very low	172 Å²	172	121.2 Å²	121.2	75%	0.754	69%	0.691	S	S	*	*			trans	-83.4	57.8	-176.1	-72.1	-78.6	0	0	0	114.4	A538	A538-F540 PolarHBondContact O-N 3.09Å
541	N	26.2	Very low	36.8	Very low	127 Å²	127	120.8 Å²	120.8	68%	0.679	67%	0.673	S	S	*	*			trans	-146.9	66.3	172.6	-163.1	11.9	0	0	0	114.3	L539	L539-N541 VanDerWaalsContact C-N 3.32Å; L539-N541 PolarHBondContact O-N 3.03Å
542	I	32.9	Very low	39.3	Very low	162 Å²	162	120.9 Å²	120.9	83%	0.831	67%	0.665	S	S	*	*			trans	-119.2	109.9	162.7	-60	-179.7	0	0	0	108.4
543	K	27.8	Very low	41.9	Very low	191 Å²	191	115.5 Å²	115.5	83%	0.83	63%	0.633	S	S	*	*			trans	-82.3	113.8	174.4	-63.4	172.5	-178.2	173.3	0	109
544	S	34.9	Very low	44.4	Very low	106 Å²	106	113 Å²	113	74%	0.741	63%	0.625	S	S	*	*			trans	-147.6	119.9	159.4	-163.2	0	0	0	0	113.9
545	V	30.4	Very low	46.8	Very low	129 Å²	129	114.7 Å²	114.7	78%	0.782	62%	0.621	S	S	*	*			trans	6.7	106.7	159.9	-167	0	0	0	0	118.5	A547	V545-A547 PolarHBondContact O-N 2.83Å
546	S	31.2	Very low	49	Very low	115 Å²	115	115.3 Å²	115.3	80%	0.804	63%	0.63	S	S	*	*			trans	-26.5	113.1	150.8	50.7	0	0	0	0	118.5
547	A	38.8	Very low	51.2	Low	86 Å²	86	114.5 Å²	114.5	71%	0.711	64%	0.64	S	S	*	*			trans	-156	158.3	147	0	0	0	0	0	112	V545	V545-A547 PolarHBondContact O-N 2.83Å
548	L	45	Very low	53.3	Low	102 Å²	102	105.2 Å²	105.2	53%	0.534	61%	0.607	S	S	.	*			trans	62.6	138	163.5	-63	158.7	0	0	0	118.8	L461 R550	L461-L548 HydrophobicContact CD2-CD1 3.99Å; L461-L548 HydrophobicContact CD2-CD2 4.31Å; L548-R550 PolarHBondContact O-N 2.9Å
549	G	58.6	Low	55.5	Low	60 Å²	60	108.6 Å²	108.6	62%	0.619	61%	0.614	S	S	*	*	S	Bend	trans	-78.2	35.8	-172.2	0	0	0	0	0	116.9
550	R	76	Confident	57.8	Low	87 Å²	87	107.9 Å²	107.9	33%	0.328	61%	0.605	S	S	.	*			trans	-98.3	151.1	178.9	-70.2	-177.9	-100	-120.9	2.2	111.4	M458 L548	M458-R550 VanDerWaalsContact CE-NH2 3.31Å; M458-R550 PolarHBondContact SD-NH1 3.07Å; M458-R550 PolarHBondContact SD-NH2 2.81Å; L548-R550 PolarHBondContact O-N 2.9Å
551	Y	79.8	Confident	60.2	Low	105 Å²	105	102.4 Å²	102.4	41%	0.412	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.5	102.8	175.1	-63.5	-92.1	0	0	0	108.6	S561 Y562 R565	Y551-S561 CarbonylContact O-C 3.18Å; Y551-S561 WeakPolarHBondContact O-CA 3.5Å; Y551-Y562 WeakPolarHBondContact CD2-O 3.43Å; Y551-Y562 PolarHBondContact N-O 2.62Å; Y551-Y562 PolarHBondContact O-N 2.77Å; Y551-R565 HydrophobicContact CD1-CB 3.99Å; Y551-R565 VanDerWaalsContact CD1-CD 3.47Å; Y551-R565 HydrophobicContact CD1-CG 4.27Å; Y551-R565 HydrophobicContact CD2-CB 4.3Å; Y551-R565 HydrophobicContact CE1-CB 3.78Å; Y551-R565 HydrophobicContact CE1-CG 4.21Å; Y551-R565 HydrophobicContact CE2-CB 4.14Å; Y551-R565 HydrophobicContact CG-CB 4.23Å
552	H	80.9	Confident	62.8	Low	123 Å²	123	99.3 Å²	99.3	57%	0.569	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.8	154.3	177.7	53.7	-114.3	0	0	0	112.6	L568	H552-L568 WeakPolarHBondContact O-CD1 3.37Å; H552-L568 WeakPolarHBondContact O-CD2 3.26Å
553	C	82.3	Confident	65	Low	13 Å²	13	95.4 Å²	95.4	9%	0.088	56%	0.559	C	S	.	*			trans	-71.5	156.6	160.7	-156.9	0	0	0	0	110.9	C558 K560 L568 H575	C553-C558 WeakPolarHBondContact CB-O 3.49Å; C553-K560 PolarHBondContact N-O 3.29Å; C553-L568 HydrophobicContact CB-CD1 4.1Å; C553-H575 PolarHBondContact SG-CD2 2.76Å
554	T	76.1	Confident	67.3	Low	100 Å²	100	93.4 Å²	93.4	61%	0.613	55%	0.546	S	S	*	.			trans	-119.7	16.9	178.5	59.9	0	0	0	0	111.6
555	Y	74.8	Confident	69.3	Low	120 Å²	120	94 Å²	94	47%	0.471	53%	0.532	S	S	.	.	S	Bend	trans	-90.5	132.7	178	-167.2	-98.4	0	0	0	109.6	G557 C558 H575	Y555-G557 PolarHBondContact O-N 2.81Å; Y555-C558 PolarHBondContact O-N 2.81Å; Y555-C558 VanDerWaalsContact O-N 3.15Å; Y555-H575 VanDerWaalsContact CB-CD2 3.45Å; Y555-H575 WeakPolarHBondContact CB-CD2 3.31Å; Y555-H575 HydrophobicContact CD1-CB 3.97Å; Y555-H575 AromaticContact CD1-CE1 3.78Å; Y555-H575 AromaticContact CD1-CG 3.62Å; Y555-H575 AromaticContact CD1-ND1 3.4Å; Y555-H575 WeakPolarHBondContact CD1-ND1 3.46Å; Y555-H575 HydrophobicContact CD2-CB 3.57Å; Y555-H575 HydrophobicContact CE1-CB 4.26Å; Y555-H575 AromaticContact CE1-ND1 3.85Å; Y555-H575 HydrophobicContact CE2-CB 3.88Å; Y555-H575 HydrophobicContact CG-CB 3.61Å; Y555-H575 AromaticContact CG-CD2 3.82Å; Y555-H575 AromaticContact CG-CG 3.48Å; Y555-H575 VanDerWaalsContact CG-CG 3.48Å; Y555-H575 AromaticContact CG-ND1 3.8Å
556	P	74.9	Confident	71.5	Confident	102 Å²	102	92.6 Å²	92.6	66%	0.662	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	133.5	178.7	-27.6	35.8	0	0	0	112.3
557	G	78.3	Confident	73.7	Confident	83 Å²	83	92.9 Å²	92.9	86%	0.856	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	24.8	-177.7	0	0	0	0	0	115.1	Y555	Y555-G557 PolarHBondContact O-N 2.81Å
558	C	78.4	Confident	75.6	Confident	14 Å²	14	88.9 Å²	88.9	10%	0.095	47%	0.467	C	S	.	.			trans	-141.1	96	174.6	-156.1	0	0	0	0	115.9	C553 Y555 K560 H571 H575	C553-C558 WeakPolarHBondContact CB-O 3.49Å; Y555-C558 PolarHBondContact O-N 2.81Å; Y555-C558 VanDerWaalsContact O-N 3.15Å; C558-K560 PolarHBondContact O-N 3.15Å; C558-K560 VanDerWaalsContact O-N 3.11Å; C558-H571 PolarHBondContact SG-NE2 3.34Å; C558-H571 VanDerWaalsContact SG-NE2 3.45Å; C558-H575 WeakPolarHBondContact CB-CE1 3.48Å; C558-H575 WeakPolarHBondContact CB-NE2 3.33Å; C558-H575 PolarHBondContact SG-CE1 3.48Å; C558-H575 PolarHBondContact SG-NE2 3.21Å; C558-H575 VanDerWaalsContact SG-NE2 3.35Å
559	D	77.1	Confident	77.1	Confident	156 Å²	156	86.8 Å²	86.8	83%	0.834	46%	0.456	S	S	*	.			trans	-81.3	13	-174.4	-43	-75.7	0	0	0	114.3	S561	D559-S561 PolarHBondContact O-N 3.44Å
560	K	78.4	Confident	77.7	Confident	113 Å²	113	88 Å²	88	49%	0.491	45%	0.446	S	S	.	.			trans	-70.4	116.7	-173.2	-65.7	178	-168.3	167.5	0	111	C553 C558 Y562	C553-K560 PolarHBondContact N-O 3.29Å; C558-K560 PolarHBondContact O-N 3.15Å; C558-K560 VanDerWaalsContact O-N 3.11Å; K560-Y562 HydrophobicContact CB-CE2 3.87Å
561	S	82.3	Confident	77.8	Confident	56 Å²	56	84.2 Å²	84.2	39%	0.392	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.8	177.8	75.9	0	0	0	0	113.1	Y551 D559	Y551-S561 CarbonylContact O-C 3.18Å; Y551-S561 WeakPolarHBondContact O-CA 3.5Å; D559-S561 PolarHBondContact O-N 3.44Å
562	Y	80	Confident	77.5	Confident	62 Å²	62	81.3 Å²	81.3	24%	0.243	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135	-169.3	-64.2	-87.3	0	0	0	112.4	Y551 K560 R564 R567 L568 H571	Y551-Y562 WeakPolarHBondContact CD2-O 3.43Å; Y551-Y562 PolarHBondContact N-O 2.62Å; Y551-Y562 PolarHBondContact O-N 2.77Å; K560-Y562 HydrophobicContact CB-CE2 3.87Å; Y562-R564 PolarHBondContact O-N 2.74Å; Y562-R567 HydrophobicContact CD1-CB 3.54Å; Y562-R567 HydrophobicContact CE1-CB 4.33Å; Y562-R567 HydrophobicContact CG-CB 3.94Å; Y562-L568 HydrophobicContact CD2-CB 4.03Å; Y562-L568 HydrophobicContact CD2-CD1 4.05Å; Y562-L568 HydrophobicContact CE2-CD1 4.43Å; Y562-L568 HydrophobicContact CG-CB 4.42Å; Y562-H571 HydrophobicContact CD2-CB 4.37Å; Y562-H571 HydrophobicContact CE2-CB 3.51Å; Y562-H571 AromaticContact CE2-CD2 3.46Å; Y562-H571 VanDerWaalsContact CE2-CD2 3.46Å; Y562-H571 WeakPolarHBondContact CE2-CD2 3.49Å; Y562-H571 AromaticContact CE2-CG 3.59Å; Y562-H571 AromaticContact CZ-CG 3.78Å; Y562-H571 WeakPolarHBondContact OH-CB 3.32Å
563	A	79.9	Confident	76.9	Confident	80 Å²	80	76.3 Å²	76.3	66%	0.661	40%	0.402	S	S	*	.	S	Bend	trans	-66.5	-6.9	176.8	0	0	0	0	0	114.8
564	R	76.1	Confident	76.2	Confident	149 Å²	149	80.1 Å²	80.1	56%	0.562	43%	0.425	S	S	*	.	S	Bend	trans	-143.7	132.8	178.9	-72	-175.7	-75.4	172.8	-3.7	111.1	Y562 H566 R567 L568	Y562-R564 PolarHBondContact O-N 2.74Å; R564-H566 PolarHBondContact NH1-NE2 2.75Å; R564-H566 PolarHBondContact O-N 2.77Å; R564-H566 VanDerWaalsContact O-N 3.14Å; R564-R567 PolarHBondContact O-N 3.15Å; R564-L568 PolarHBondContact O-N 3.16Å
565	R	76.7	Confident	75.9	Confident	118 Å²	118	77.2 Å²	77.2	45%	0.445	40%	0.404	S	S	.	.	H	α-helix	trans	-54.9	-33.9	-178	-172.7	67.8	-152.8	-161.6	4.5	113.9	Y551 R567 L568 N569	Y551-R565 HydrophobicContact CD1-CB 3.99Å; Y551-R565 VanDerWaalsContact CD1-CD 3.47Å; Y551-R565 HydrophobicContact CD1-CG 4.27Å; Y551-R565 HydrophobicContact CD2-CB 4.3Å; Y551-R565 HydrophobicContact CE1-CB 3.78Å; Y551-R565 HydrophobicContact CE1-CG 4.21Å; Y551-R565 HydrophobicContact CE2-CB 4.14Å; Y551-R565 HydrophobicContact CG-CB 4.23Å; R565-R567 VanDerWaalsContact C-N 3.32Å; R565-R567 PolarHBondContact O-N 3.47Å; R565-L568 PolarHBondContact O-N 2.91Å; R565-N569 PolarHBondContact NE-OD1 2.63Å; R565-N569 PolarHBondContact NH2-OD1 2.75Å; R565-N569 PolarHBondContact O-N 3.37Å; R565-N569 PolarHBondContact O-OD1 3.25Å
566	H	75.6	Confident	75.5	Confident	101 Å²	101	75.1 Å²	75.1	47%	0.468	40%	0.404	S	S	.	.	H	α-helix	trans	-64.4	-33.8	177.8	75.2	67.7	0	0	0	113.3	R564 N569 Q570	R564-H566 PolarHBondContact NH1-NE2 2.75Å; R564-H566 PolarHBondContact O-N 2.77Å; R564-H566 VanDerWaalsContact O-N 3.14Å; H566-N569 PolarHBondContact O-N 2.99Å; H566-Q570 WeakPolarHBondContact O-CB 3.18Å; H566-Q570 PolarHBondContact O-N 2.74Å
567	R	77.8	Confident	74.5	Confident	121 Å²	121	73.7 Å²	73.7	46%	0.457	41%	0.408	S	S	.	.	H	α-helix	trans	-73.3	-33.9	174.5	-73.3	-58.6	-149.4	-173.3	5.4	111.7	Y562 R564 R565 H571	Y562-R567 HydrophobicContact CD1-CB 3.54Å; Y562-R567 HydrophobicContact CE1-CB 4.33Å; Y562-R567 HydrophobicContact CG-CB 3.94Å; R564-R567 PolarHBondContact O-N 3.15Å; R565-R567 VanDerWaalsContact C-N 3.32Å; R565-R567 PolarHBondContact O-N 3.47Å; R567-H571 WeakPolarHBondContact O-CB 3.28Å; R567-H571 PolarHBondContact O-N 2.82Å
568	L	79.7	Confident	73.3	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.005	40%	0.397	C	S	.	.	H	α-helix	trans	-65.1	-45.8	169.8	174.2	62.4	0	0	0	111.2	H552 C553 Y562 R564 R565 Q570 H571 I572	H552-L568 WeakPolarHBondContact O-CD1 3.37Å; H552-L568 WeakPolarHBondContact O-CD2 3.26Å; C553-L568 HydrophobicContact CB-CD1 4.1Å; Y562-L568 HydrophobicContact CD2-CB 4.03Å; Y562-L568 HydrophobicContact CD2-CD1 4.05Å; Y562-L568 HydrophobicContact CE2-CD1 4.43Å; Y562-L568 HydrophobicContact CG-CB 4.42Å; R564-L568 PolarHBondContact O-N 3.16Å; R565-L568 PolarHBondContact O-N 2.91Å; L568-Q570 VanDerWaalsContact C-N 3.28Å; L568-Q570 PolarHBondContact O-N 2.8Å; L568-H571 CarbonylContact O-C 3.46Å; L568-H571 WeakPolarHBondContact O-CA 3.38Å; L568-H571 WeakPolarHBondContact O-CB 3.33Å; L568-H571 PolarHBondContact O-N 2.7Å; L568-I572 HydrophobicContact CD1-CD1 3.98Å; L568-I572 HydrophobicContact CD1-CG1 3.88Å; L568-I572 HydrophobicContact CD2-CD1 4.19Å; L568-I572 HydrophobicContact CG-CD1 3.76Å; L568-I572 HydrophobicContact CG-CG1 4.15Å; L568-I572 WeakPolarHBondContact O-CG1 3.37Å; L568-I572 PolarHBondContact O-N 3.44Å
569	N	75.9	Confident	72.3	Confident	58 Å²	58	75.6 Å²	75.6	31%	0.31	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-41.3	177.5	-71.3	10.5	0	0	0	111.3	R565 H566 H571 I572 S573	R565-N569 PolarHBondContact NE-OD1 2.63Å; R565-N569 PolarHBondContact NH2-OD1 2.75Å; R565-N569 PolarHBondContact O-N 3.37Å; R565-N569 PolarHBondContact O-OD1 3.25Å; H566-N569 PolarHBondContact O-N 2.99Å; N569-H571 PolarHBondContact O-N 3.48Å; N569-I572 PolarHBondContact O-N 3.32Å; N569-S573 PolarHBondContact O-N 3.02Å
570	Q	70	Confident	71.8	Confident	86 Å²	86	69.7 Å²	69.7	40%	0.402	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-21.3	171.8	179.5	173.1	33	0	0	113.8	H566 L568 S573 F593	H566-Q570 WeakPolarHBondContact O-CB 3.18Å; H566-Q570 PolarHBondContact O-N 2.74Å; L568-Q570 VanDerWaalsContact C-N 3.28Å; L568-Q570 PolarHBondContact O-N 2.8Å; Q570-S573 PolarHBondContact O-OG 2.88Å; Q570-F593 HydrophobicContact CB-CE1 4.4Å; Q570-F593 HydrophobicContact CB-CE2 4.41Å; Q570-F593 HydrophobicContact CB-CZ 4Å; Q570-F593 HydrophobicContact CG-CZ 4.05Å
571	H	78.7	Confident	71.6	Confident	7 Å²	7	67.6 Å²	67.6	3%	0.032	37%	0.374	C	S	.	.	H	α-helix	trans	-90	-38.4	174.6	172.9	41.6	0	0	0	112.8	C558 Y562 R567 L568 N569 S573 T574 H575	C558-H571 PolarHBondContact SG-NE2 3.34Å; C558-H571 VanDerWaalsContact SG-NE2 3.45Å; Y562-H571 HydrophobicContact CD2-CB 4.37Å; Y562-H571 HydrophobicContact CE2-CB 3.51Å; Y562-H571 AromaticContact CE2-CD2 3.46Å; Y562-H571 VanDerWaalsContact CE2-CD2 3.46Å; Y562-H571 WeakPolarHBondContact CE2-CD2 3.49Å; Y562-H571 AromaticContact CE2-CG 3.59Å; Y562-H571 AromaticContact CZ-CG 3.78Å; Y562-H571 WeakPolarHBondContact OH-CB 3.32Å; R567-H571 WeakPolarHBondContact O-CB 3.28Å; R567-H571 PolarHBondContact O-N 2.82Å; L568-H571 CarbonylContact O-C 3.46Å; L568-H571 WeakPolarHBondContact O-CA 3.38Å; L568-H571 WeakPolarHBondContact O-CB 3.33Å; L568-H571 PolarHBondContact O-N 2.7Å; N569-H571 PolarHBondContact O-N 3.48Å; H571-S573 PolarHBondContact O-N 3.4Å; H571-S573 VanDerWaalsContact O-N 3.16Å; H571-T574 PolarHBondContact CE1-OG1 3.07Å; H571-T574 PolarHBondContact ND1-OG1 3.03Å; H571-T574 WeakPolarHBondContact O-CB 3.47Å; H571-T574 PolarHBondContact O-N 3.13Å; H571-T574 PolarHBondContact O-OG1 3.33Å; H571-H575 AromaticContact CE1-CD2 3.69Å; H571-H575 AromaticContact CE1-CE1 3.66Å; H571-H575 AromaticContact CE1-NE2 3Å; H571-H575 PolarHBondContact CE1-NE2 2.82Å; H571-H575 AromaticContact NE2-CD2 3.73Å; H571-H575 AromaticContact NE2-CE1 3.99Å; H571-H575 AromaticContact NE2-NE2 3.02Å; H571-H575 PolarHBondContact NE2-NE2 3.05Å
572	I	74.4	Confident	71.1	Confident	44 Å²	44	67.5 Å²	67.5	23%	0.226	37%	0.372	C	S	.	.	H	α-helix	trans	-57.3	-34.9	178.4	-69.6	167	0	0	0	110.7	L568 N569 T574 H575 T576	L568-I572 HydrophobicContact CD1-CD1 3.98Å; L568-I572 HydrophobicContact CD1-CG1 3.88Å; L568-I572 HydrophobicContact CD2-CD1 4.19Å; L568-I572 HydrophobicContact CG-CD1 3.76Å; L568-I572 HydrophobicContact CG-CG1 4.15Å; L568-I572 WeakPolarHBondContact O-CG1 3.37Å; L568-I572 PolarHBondContact O-N 3.44Å; N569-I572 PolarHBondContact O-N 3.32Å; I572-T574 PolarHBondContact O-N 3.14Å; I572-H575 WeakPolarHBondContact O-CB 3.49Å; I572-H575 PolarHBondContact O-N 3.35Å; I572-T576 HydrophobicContact CG2-CG2 4Å; I572-T576 PolarHBondContact O-N 3Å
573	S	67.3	Low	71.1	Confident	19 Å²	19	65 Å²	65	13%	0.133	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.2	172.3	56	0	0	0	0	115.9	N569 Q570 H571 H575 F593	N569-S573 PolarHBondContact O-N 3.02Å; Q570-S573 PolarHBondContact O-OG 2.88Å; H571-S573 PolarHBondContact O-N 3.4Å; H571-S573 VanDerWaalsContact O-N 3.16Å; S573-H575 VanDerWaalsContact C-N 3.28Å; S573-F593 WeakPolarHBondContact OG-CE1 3.34Å
574	T	67.5	Low	71	Confident	92 Å²	92	66.8 Å²	66.8	56%	0.564	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.1	168.8	73.2	0	0	0	0	112.5	H571 I572	H571-T574 PolarHBondContact CE1-OG1 3.07Å; H571-T574 PolarHBondContact ND1-OG1 3.03Å; H571-T574 WeakPolarHBondContact O-CB 3.47Å; H571-T574 PolarHBondContact O-N 3.13Å; H571-T574 PolarHBondContact O-OG1 3.33Å; I572-T574 PolarHBondContact O-N 3.14Å
575	H	70.6	Confident	70.9	Confident	40 Å²	40	60.7 Å²	60.7	19%	0.185	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-39.4	178.2	-63.4	-53.9	0	0	0	112.7	C553 Y555 C558 H571 I572 S573 G577	C553-H575 PolarHBondContact SG-CD2 2.76Å; Y555-H575 VanDerWaalsContact CB-CD2 3.45Å; Y555-H575 WeakPolarHBondContact CB-CD2 3.31Å; Y555-H575 HydrophobicContact CD1-CB 3.97Å; Y555-H575 AromaticContact CD1-CE1 3.78Å; Y555-H575 AromaticContact CD1-CG 3.62Å; Y555-H575 AromaticContact CD1-ND1 3.4Å; Y555-H575 WeakPolarHBondContact CD1-ND1 3.46Å; Y555-H575 HydrophobicContact CD2-CB 3.57Å; Y555-H575 HydrophobicContact CE1-CB 4.26Å; Y555-H575 AromaticContact CE1-ND1 3.85Å; Y555-H575 HydrophobicContact CE2-CB 3.88Å; Y555-H575 HydrophobicContact CG-CB 3.61Å; Y555-H575 AromaticContact CG-CD2 3.82Å; Y555-H575 AromaticContact CG-CG 3.48Å; Y555-H575 VanDerWaalsContact CG-CG 3.48Å; Y555-H575 AromaticContact CG-ND1 3.8Å; C558-H575 WeakPolarHBondContact CB-CE1 3.48Å; C558-H575 WeakPolarHBondContact CB-NE2 3.33Å; C558-H575 PolarHBondContact SG-CE1 3.48Å; C558-H575 PolarHBondContact SG-NE2 3.21Å; C558-H575 VanDerWaalsContact SG-NE2 3.35Å; H571-H575 AromaticContact CE1-CD2 3.69Å; H571-H575 AromaticContact CE1-CE1 3.66Å; H571-H575 AromaticContact CE1-NE2 3Å; H571-H575 PolarHBondContact CE1-NE2 2.82Å; H571-H575 AromaticContact NE2-CD2 3.73Å; H571-H575 AromaticContact NE2-CE1 3.99Å; H571-H575 AromaticContact NE2-NE2 3.02Å; H571-H575 PolarHBondContact NE2-NE2 3.05Å; I572-H575 WeakPolarHBondContact O-CB 3.49Å; I572-H575 PolarHBondContact O-N 3.35Å; S573-H575 VanDerWaalsContact C-N 3.28Å; H575-G577 PolarHBondContact O-N 3.26Å; H575-G577 VanDerWaalsContact O-N 3.15Å
576	T	65.1	Low	70.4	Confident	75 Å²	75	60.8 Å²	60.8	46%	0.46	36%	0.359	S	S	.	.	S	Bend	trans	-72.6	-5.4	-174.5	57.4	0	0	0	0	114.3	I572 T578	I572-T576 HydrophobicContact CG2-CG2 4Å; I572-T576 PolarHBondContact O-N 3Å; T576-T578 VanDerWaalsContact CB-OG1 3.25Å; T576-T578 WeakPolarHBondContact CB-OG1 3.46Å; T576-T578 PolarHBondContact O-N 3.12Å; T576-T578 PolarHBondContact O-OG1 2.79Å; T576-T578 PolarHBondContact OG1-OG1 3.34Å
577	G	54.1	Low	69.8	Low	73 Å²	73	64.4 Å²	64.4	75%	0.753	38%	0.381	S	S	*	.	S	Bend	trans	69.1	-32.8	-173.7	0	0	0	0	0	114.1	H575 G579	H575-G577 PolarHBondContact O-N 3.26Å; H575-G577 VanDerWaalsContact O-N 3.15Å; G577-G579 VanDerWaalsContact C-N 3.27Å; G577-G579 PolarHBondContact O-N 3.49Å
578	T	53.6	Low	69.5	Low	102 Å²	102	59.5 Å²	59.5	63%	0.626	37%	0.366	S	S	*	.			trans	-65.5	80.1	169.7	48.9	0	0	0	0	111.2	T576	T576-T578 VanDerWaalsContact CB-OG1 3.25Å; T576-T578 WeakPolarHBondContact CB-OG1 3.46Å; T576-T578 PolarHBondContact O-N 3.12Å; T576-T578 PolarHBondContact O-OG1 2.79Å; T576-T578 PolarHBondContact OG1-OG1 3.34Å
579	G	56.8	Low	69.1	Low	35 Å²	35	66.3 Å²	66.3	36%	0.361	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-53.8	151.1	166.6	0	0	0	0	0	110.9	G577 I581	G577-G579 VanDerWaalsContact C-N 3.27Å; G577-G579 PolarHBondContact O-N 3.49Å; G579-I581 PolarHBondContact O-N 2.88Å
580	P	68.2	Low	68.8	Low	31 Å²	31	66.5 Å²	66.5	20%	0.201	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-54.2	133.7	-167.6	20.1	-32.6	0	0	0	112.1	P582 R591 Y592 F593	P580-P582 WeakPolarHBondContact O-CD 3.47Å; P580-R591 HydrophobicContact CB-CB 3.79Å; P580-R591 HydrophobicContact CG-CB 3.97Å; P580-R591 VanDerWaalsContact O-CZ 3.27Å; P580-R591 PolarHBondContact O-NE 2.97Å; P580-R591 PolarHBondContact O-NH2 3.02Å; P580-Y592 CarbonylContact C-O 3.48Å; P580-Y592 WeakPolarHBondContact CA-O 3.45Å; P580-Y592 WeakPolarHBondContact CB-O 3.49Å; P580-F593 HydrophobicContact CB-CD1 3.79Å; P580-F593 HydrophobicContact CB-CE1 3.54Å; P580-F593 HydrophobicContact CB-CE2 4.44Å; P580-F593 HydrophobicContact CB-CG 4.33Å; P580-F593 HydrophobicContact CB-CZ 3.9Å; P580-F593 HydrophobicContact CG-CD1 4.39Å; P580-F593 HydrophobicContact CG-CE1 3.68Å; P580-F593 HydrophobicContact CG-CZ 3.95Å
581	I	72.7	Confident	68.9	Low	70 Å²	70	68.2 Å²	68.2	36%	0.359	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	116.6	-173	-42.8	168.3	0	0	0	107.9	G579 R591 Y592 L598	G579-I581 PolarHBondContact O-N 2.88Å; I581-R591 CarbonylContact O-C 3.52Å; I581-R591 VanDerWaalsContact O-CA 3.29Å; I581-R591 WeakPolarHBondContact O-CA 3.49Å; I581-Y592 PolarHBondContact N-O 3Å; I581-Y592 PolarHBondContact O-N 3.45Å; I581-L598 HydrophobicContact CB-CD2 4.09Å; I581-L598 HydrophobicContact CG2-CD2 3.54Å
582	P	71.4	Confident	68.6	Low	54 Å²	54	70.8 Å²	70.8	35%	0.351	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	161.1	175.8	31.5	-34.9	0	0	0	110.7	P580 R591	P580-P582 WeakPolarHBondContact O-CD 3.47Å; P582-R591 HydrophobicContact CB-CG 4.31Å
583	C	81.1	Confident	68.3	Low	9 Å²	9	73 Å²	73	6%	0.061	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-87.9	128	164.6	-165.4	0	0	0	0	110	A585 C588 V590 L598 H601 H605	C583-A585 PolarHBondContact O-N 3.2Å; C583-C588 HydrophobicContact CB-CB 4.36Å; C583-V590 PolarHBondContact N-O 2.92Å; C583-L598 HydrophobicContact CB-CD1 3.97Å; C583-H601 WeakPolarHBondContact CB-NE2 3.29Å; C583-H601 PolarHBondContact SG-CD2 3.1Å; C583-H605 PolarHBondContact SG-CD2 3.47Å; C583-H605 PolarHBondContact SG-NE2 3.49Å; C583-H605 VanDerWaalsContact SG-NE2 3.42Å
584	D	77.2	Confident	68.2	Low	117 Å²	117	73.9 Å²	73.9	63%	0.626	43%	0.433	S	S	*	.			trans	-73.7	10.3	-178.5	-33	-77.4	0	0	0	113.4	K602	D584-K602 WeakPolarHBondContact OD2-CE 3.34Å; D584-K602 IonicContact OD2-NZ 3.91Å; D584-K602 PolarHBondContact OD2-NZ 3.2Å
585	A	74.8	Confident	68.6	Low	21 Å²	21	75 Å²	75	17%	0.174	43%	0.431	C	S	.	.	S	Bend	trans	-84.9	135	-176.3	0	0	0	0	0	110.3	C583 N587 C588 H605	C583-A585 PolarHBondContact O-N 3.2Å; A585-N587 PolarHBondContact O-N 3.16Å; A585-C588 HydrophobicContact CB-CB 3.95Å; A585-C588 WeakPolarHBondContact O-CB 3.42Å; A585-C588 PolarHBondContact O-N 3.37Å; A585-H605 HydrophobicContact CB-CB 4.43Å; A585-H605 VanDerWaalsContact CB-CD2 3.45Å; A585-H605 WeakPolarHBondContact CB-CD2 3.5Å
586	P	65.3	Low	68.9	Low	120 Å²	120	78.2 Å²	78.2	78%	0.779	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	139.7	179	23.4	-33.1	0	0	0	110.8	C588	P586-C588 PolarHBondContact O-N 2.82Å
587	N	62.8	Low	69.4	Low	177 Å²	177	77.2 Å²	77.2	95%	0.947	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	11	-173.2	-55.2	-40.6	0	0	0	116.1	A585	A585-N587 PolarHBondContact O-N 3.16Å
588	C	72.4	Confident	70.5	Confident	19 Å²	19	74.2 Å²	74.2	13%	0.128	41%	0.405	C	S	.	.			trans	-108.6	87.6	179.7	-161	0	0	0	0	115	C583 A585 P586 V590 H601 H605	C583-C588 HydrophobicContact CB-CB 4.36Å; A585-C588 HydrophobicContact CB-CB 3.95Å; A585-C588 WeakPolarHBondContact O-CB 3.42Å; A585-C588 PolarHBondContact O-N 3.37Å; P586-C588 PolarHBondContact O-N 2.82Å; C588-V590 PolarHBondContact O-N 2.99Å; C588-V590 VanDerWaalsContact O-N 3.08Å; C588-H601 PolarHBondContact SG-CE1 3.17Å; C588-H601 PolarHBondContact SG-NE2 3.46Å; C588-H605 PolarHBondContact SG-CE1 2.88Å; C588-H605 PolarHBondContact SG-NE2 2.96Å
589	N	70.4	Confident	71.7	Confident	144 Å²	144	74.5 Å²	74.5	77%	0.77	40%	0.397	S	S	*	.			trans	-83.6	36.6	173.9	-159.9	-0.3	0	0	0	113.4
590	V	70.2	Confident	72.5	Confident	62 Å²	62	78.9 Å²	78.9	38%	0.376	40%	0.403	S	S	.	.			trans	-94.4	134.1	175.9	-168.6	0	0	0	0	109.1	C583 C588 Y592	C583-V590 PolarHBondContact N-O 2.92Å; C588-V590 PolarHBondContact O-N 2.99Å; C588-V590 VanDerWaalsContact O-N 3.08Å; V590-Y592 HydrophobicContact CB-CE2 4.05Å; V590-Y592 HydrophobicContact CG1-CD2 4.28Å; V590-Y592 HydrophobicContact CG1-CE2 3.38Å
591	R	72	Confident	72.9	Confident	121 Å²	121	78.3 Å²	78.3	46%	0.457	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.5	-172.2	-49.6	-173.4	62.5	150.6	-0.1	111.1	P580 I581 P582	P580-R591 HydrophobicContact CB-CB 3.79Å; P580-R591 HydrophobicContact CG-CB 3.97Å; P580-R591 VanDerWaalsContact O-CZ 3.27Å; P580-R591 PolarHBondContact O-NE 2.97Å; P580-R591 PolarHBondContact O-NH2 3.02Å; I581-R591 CarbonylContact O-C 3.52Å; I581-R591 VanDerWaalsContact O-CA 3.29Å; I581-R591 WeakPolarHBondContact O-CA 3.49Å; P582-R591 HydrophobicContact CB-CG 4.31Å
592	Y	73.4	Confident	73.1	Confident	61 Å²	61	79 Å²	79	24%	0.239	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.1	-169	-74.3	-84.3	0	0	0	113.3	P580 I581 V590 D597 L598 H601	P580-Y592 CarbonylContact C-O 3.48Å; P580-Y592 WeakPolarHBondContact CA-O 3.45Å; P580-Y592 WeakPolarHBondContact CB-O 3.49Å; I581-Y592 PolarHBondContact N-O 3Å; I581-Y592 PolarHBondContact O-N 3.45Å; V590-Y592 HydrophobicContact CB-CE2 4.05Å; V590-Y592 HydrophobicContact CG1-CD2 4.28Å; V590-Y592 HydrophobicContact CG1-CE2 3.38Å; Y592-D597 HydrophobicContact CD1-CB 3.51Å; Y592-D597 HydrophobicContact CE1-CB 4.17Å; Y592-D597 HydrophobicContact CG-CB 4.29Å; Y592-L598 HydrophobicContact CD2-CB 4.48Å; Y592-L598 HydrophobicContact CD2-CD1 3.92Å; Y592-L598 HydrophobicContact CG-CB 4.38Å; Y592-H601 HydrophobicContact CD2-CB 4.23Å; Y592-H601 HydrophobicContact CE1-CB 4.26Å; Y592-H601 HydrophobicContact CE2-CB 3.48Å; Y592-H601 VanDerWaalsContact CE2-CB 3.48Å; Y592-H601 AromaticContact CE2-CD2 3.33Å; Y592-H601 WeakPolarHBondContact CE2-CD2 3.43Å; Y592-H601 AromaticContact CE2-CG 3.25Å; Y592-H601 AromaticContact CE2-ND1 3.86Å; Y592-H601 AromaticContact CE2-NE2 3.93Å; Y592-H601 VanDerWaalsContact CZ-CB 3.48Å; Y592-H601 AromaticContact CZ-CG 3.55Å; Y592-H601 AromaticContact CZ-ND1 3.92Å; Y592-H601 PolarHBondContact OH-ND1 3.45Å
593	F	68.1	Low	73.3	Confident	90 Å²	90	80 Å²	80	40%	0.395	40%	0.4	S	S	.	.	S	Bend	trans	-96.7	6.8	-179	-55.6	-83.2	0	0	0	113.1	Q570 S573 P580	Q570-F593 HydrophobicContact CB-CE1 4.4Å; Q570-F593 HydrophobicContact CB-CE2 4.41Å; Q570-F593 HydrophobicContact CB-CZ 4Å; Q570-F593 HydrophobicContact CG-CZ 4.05Å; S573-F593 WeakPolarHBondContact OG-CE1 3.34Å; P580-F593 HydrophobicContact CB-CD1 3.79Å; P580-F593 HydrophobicContact CB-CE1 3.54Å; P580-F593 HydrophobicContact CB-CE2 4.44Å; P580-F593 HydrophobicContact CB-CG 4.33Å; P580-F593 HydrophobicContact CB-CZ 3.9Å; P580-F593 HydrophobicContact CG-CD1 4.39Å; P580-F593 HydrophobicContact CG-CE1 3.68Å; P580-F593 HydrophobicContact CG-CZ 3.95Å
594	S	65.5	Low	72.7	Confident	39 Å²	39	82 Å²	82	27%	0.273	41%	0.414	S	S	.	.	S	Bend	trans	-150.2	148.9	169.2	79.4	0	0	0	0	110.1	E596 D597 L598	S594-E596 PolarHBondContact O-N 3.35Å; S594-D597 PolarHBondContact O-N 3.02Å; S594-D597 WeakPolarHBondContact OG-CB 3.19Å; S594-D597 PolarHBondContact OG-N 3.15Å; S594-D597 PolarHBondContact OG-OD2 3.4Å; S594-L598 PolarHBondContact O-N 2.92Å; S594-L598 VanDerWaalsContact O-N 3.07Å
595	E	74	Confident	72.4	Confident	115 Å²	115	79.1 Å²	79.1	54%	0.537	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-32.9	175.3	-165.7	-157.6	135.3	0	0	111.7	L598 K599	E595-L598 CarbonylContact O-C 3.45Å; E595-L598 WeakPolarHBondContact O-CB 3.34Å; E595-L598 PolarHBondContact O-N 3.15Å; E595-K599 HydrophobicContact CG-CD 4.5Å; E595-K599 WeakPolarHBondContact O-CB 3.39Å; E595-K599 WeakPolarHBondContact O-CG 3.46Å; E595-K599 PolarHBondContact O-N 3.05Å; E595-K599 WeakPolarHBondContact OE1-CE 3.5Å; E595-K599 IonicContact OE1-NZ 2.9Å; E595-K599 PolarHBondContact OE1-NZ 3.03Å
596	E	78	Confident	71.9	Confident	107 Å²	107	83.9 Å²	83.9	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-70.4	-38.4	178.4	173	37.7	-133.8	0	0	111.9	S594 L598 R600	S594-E596 PolarHBondContact O-N 3.35Å; E596-L598 VanDerWaalsContact C-N 3.33Å; E596-R600 WeakPolarHBondContact O-CB 3.35Å; E596-R600 PolarHBondContact O-N 3.31Å; E596-R600 VanDerWaalsContact O-N 3.12Å; E596-R600 PolarHBondContact O-NH2 3.27Å; E596-R600 IonicContact OE1-CZ 2.97Å; E596-R600 IonicContact OE1-NE 2.96Å; E596-R600 PolarHBondContact OE1-NE 3.15Å; E596-R600 IonicContact OE1-NH2 2.89Å; E596-R600 PolarHBondContact OE1-NH2 3.35Å
597	D	74.9	Confident	71.5	Confident	54 Å²	54	82.5 Å²	82.5	29%	0.289	40%	0.399	S	S	.	.	H	α-helix	trans	-67.9	-34.3	169.6	-61.4	-47.8	0	0	0	112.1	Y592 S594 R600 H601	Y592-D597 HydrophobicContact CD1-CB 3.51Å; Y592-D597 HydrophobicContact CE1-CB 4.17Å; Y592-D597 HydrophobicContact CG-CB 4.29Å; S594-D597 PolarHBondContact O-N 3.02Å; S594-D597 WeakPolarHBondContact OG-CB 3.19Å; S594-D597 PolarHBondContact OG-N 3.15Å; S594-D597 PolarHBondContact OG-OD2 3.4Å; D597-R600 IonicContact OD1-CZ 3.39Å; D597-R600 IonicContact OD1-NH1 2.75Å; D597-R600 PolarHBondContact OD1-NH1 3.35Å; D597-R600 IonicContact OD1-NH2 3.48Å; D597-R600 PolarHBondContact OD1-NH2 2.91Å; D597-R600 VanDerWaalsContact OD1-NH2 3.14Å; D597-H601 WeakPolarHBondContact O-CB 3.17Å; D597-H601 PolarHBondContact O-N 3.14Å; D597-H601 VanDerWaalsContact O-N 3.09Å
598	L	77.5	Confident	71.1	Confident	10 Å²	10	77.5 Å²	77.5	5%	0.052	38%	0.381	C	S	.	.	H	α-helix	trans	-67.9	-43.2	174.1	-180	62.4	0	0	0	112.1	I581 C583 Y592 S594 E595 E596 R600 H601 K602	I581-L598 HydrophobicContact CB-CD2 4.09Å; I581-L598 HydrophobicContact CG2-CD2 3.54Å; C583-L598 HydrophobicContact CB-CD1 3.97Å; Y592-L598 HydrophobicContact CD2-CB 4.48Å; Y592-L598 HydrophobicContact CD2-CD1 3.92Å; Y592-L598 HydrophobicContact CG-CB 4.38Å; S594-L598 PolarHBondContact O-N 2.92Å; S594-L598 VanDerWaalsContact O-N 3.07Å; E595-L598 CarbonylContact O-C 3.45Å; E595-L598 WeakPolarHBondContact O-CB 3.34Å; E595-L598 PolarHBondContact O-N 3.15Å; E596-L598 VanDerWaalsContact C-N 3.33Å; L598-R600 PolarHBondContact O-N 3.15Å; L598-H601 CarbonylContact O-C 3.57Å; L598-H601 WeakPolarHBondContact O-CA 3.34Å; L598-H601 WeakPolarHBondContact O-CB 3.42Å; L598-H601 PolarHBondContact O-N 2.93Å; L598-K602 HydrophobicContact CD1-CG 4.31Å; L598-K602 HydrophobicContact CG-CD 4.38Å; L598-K602 HydrophobicContact CG-CG 4.39Å; L598-K602 PolarHBondContact O-N 3.19Å
599	K	79.8	Confident	70.2	Confident	109 Å²	109	80.6 Å²	80.6	47%	0.474	41%	0.408	S	S	.	.	H	α-helix	trans	-56.1	-50.1	174.2	-83.8	166.3	160.2	163.7	0	110.5	E595 H601 K602 L603	E595-K599 HydrophobicContact CG-CD 4.5Å; E595-K599 WeakPolarHBondContact O-CB 3.39Å; E595-K599 WeakPolarHBondContact O-CG 3.46Å; E595-K599 PolarHBondContact O-N 3.05Å; E595-K599 WeakPolarHBondContact OE1-CE 3.5Å; E595-K599 IonicContact OE1-NZ 2.9Å; E595-K599 PolarHBondContact OE1-NZ 3.03Å; K599-H601 PolarHBondContact O-N 3.12Å; K599-K602 PolarHBondContact O-N 3.18Å; K599-K602 VanDerWaalsContact O-N 3.16Å; K599-L603 WeakPolarHBondContact O-CD1 3.41Å; K599-L603 PolarHBondContact O-N 2.84Å
600	R	72.6	Confident	69.1	Low	127 Å²	127	77.2 Å²	77.2	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-23.4	176.1	-151.2	-179	-43.1	107.5	12.5	113.8	E596 D597 L598	E596-R600 WeakPolarHBondContact O-CB 3.35Å; E596-R600 PolarHBondContact O-N 3.31Å; E596-R600 VanDerWaalsContact O-N 3.12Å; E596-R600 PolarHBondContact O-NH2 3.27Å; E596-R600 IonicContact OE1-CZ 2.97Å; E596-R600 IonicContact OE1-NE 2.96Å; E596-R600 PolarHBondContact OE1-NE 3.15Å; E596-R600 IonicContact OE1-NH2 2.89Å; E596-R600 PolarHBondContact OE1-NH2 3.35Å; D597-R600 IonicContact OD1-CZ 3.39Å; D597-R600 IonicContact OD1-NH1 2.75Å; D597-R600 PolarHBondContact OD1-NH1 3.35Å; D597-R600 IonicContact OD1-NH2 3.48Å; D597-R600 PolarHBondContact OD1-NH2 2.91Å; D597-R600 VanDerWaalsContact OD1-NH2 3.14Å; L598-R600 PolarHBondContact O-N 3.15Å
601	H	77.1	Confident	68	Low	18 Å²	18	85.2 Å²	85.2	8%	0.083	41%	0.414	C	S	.	.	H	α-helix	trans	-86.6	-38.3	172.6	171.6	67.3	0	0	0	113.6	C583 C588 Y592 D597 L598 K599 L603 S604 H605	C583-H601 WeakPolarHBondContact CB-NE2 3.29Å; C583-H601 PolarHBondContact SG-CD2 3.1Å; C588-H601 PolarHBondContact SG-CE1 3.17Å; C588-H601 PolarHBondContact SG-NE2 3.46Å; Y592-H601 HydrophobicContact CD2-CB 4.23Å; Y592-H601 HydrophobicContact CE1-CB 4.26Å; Y592-H601 HydrophobicContact CE2-CB 3.48Å; Y592-H601 VanDerWaalsContact CE2-CB 3.48Å; Y592-H601 AromaticContact CE2-CD2 3.33Å; Y592-H601 WeakPolarHBondContact CE2-CD2 3.43Å; Y592-H601 AromaticContact CE2-CG 3.25Å; Y592-H601 AromaticContact CE2-ND1 3.86Å; Y592-H601 AromaticContact CE2-NE2 3.93Å; Y592-H601 VanDerWaalsContact CZ-CB 3.48Å; Y592-H601 AromaticContact CZ-CG 3.55Å; Y592-H601 AromaticContact CZ-ND1 3.92Å; Y592-H601 PolarHBondContact OH-ND1 3.45Å; D597-H601 WeakPolarHBondContact O-CB 3.17Å; D597-H601 PolarHBondContact O-N 3.14Å; D597-H601 VanDerWaalsContact O-N 3.09Å; L598-H601 CarbonylContact O-C 3.57Å; L598-H601 WeakPolarHBondContact O-CA 3.34Å; L598-H601 WeakPolarHBondContact O-CB 3.42Å; L598-H601 PolarHBondContact O-N 2.93Å; K599-H601 PolarHBondContact O-N 3.12Å; H601-L603 PolarHBondContact O-N 2.83Å; H601-S604 PolarHBondContact ND1-OG 2.83Å; H601-S604 WeakPolarHBondContact O-CA 3.46Å; H601-S604 VanDerWaalsContact O-CB 3.31Å; H601-S604 WeakPolarHBondContact O-CB 3.48Å; H601-S604 PolarHBondContact O-N 3.25Å; H601-S604 PolarHBondContact O-OG 3.39Å; H601-H605 AromaticContact CD2-NE2 3.76Å; H601-H605 AromaticContact CE1-CE1 3.83Å; H601-H605 AromaticContact CE1-NE2 3.31Å; H601-H605 PolarHBondContact CE1-NE2 3.03Å; H601-H605 VanDerWaalsContact CE1-NE2 3.31Å; H601-H605 AromaticContact NE2-CD2 3.88Å; H601-H605 AromaticContact NE2-CE1 3.87Å; H601-H605 AromaticContact NE2-NE2 2.98Å; H601-H605 PolarHBondContact NE2-NE2 3.16Å
602	K	77.5	Confident	67	Low	84 Å²	84	82.1 Å²	82.1	37%	0.365	41%	0.406	S	S	.	.	H	α-helix	trans	-58.5	-37.4	172.4	-75.8	-175.5	173.6	-171.8	0	111.1	D584 L598 K599 S604 H605 L606	D584-K602 WeakPolarHBondContact OD2-CE 3.34Å; D584-K602 IonicContact OD2-NZ 3.91Å; D584-K602 PolarHBondContact OD2-NZ 3.2Å; L598-K602 HydrophobicContact CD1-CG 4.31Å; L598-K602 HydrophobicContact CG-CD 4.38Å; L598-K602 HydrophobicContact CG-CG 4.39Å; L598-K602 PolarHBondContact O-N 3.19Å; K599-K602 PolarHBondContact O-N 3.18Å; K599-K602 VanDerWaalsContact O-N 3.16Å; K602-S604 PolarHBondContact O-N 3.47Å; K602-H605 WeakPolarHBondContact O-CB 3.08Å; K602-H605 PolarHBondContact O-N 3.18Å; K602-L606 PolarHBondContact O-N 3.36Å; K602-L606 VanDerWaalsContact O-N 3.14Å
603	L	75.2	Confident	66.1	Low	75 Å²	75	83.7 Å²	83.7	39%	0.393	43%	0.427	S	S	.	.	H	α-helix	trans	-50	-39.5	166.2	-100.6	66.2	0	0	0	113.2	K599 H601 H605 L606 Y607	K599-L603 WeakPolarHBondContact O-CD1 3.41Å; K599-L603 PolarHBondContact O-N 2.84Å; H601-L603 PolarHBondContact O-N 2.83Å; L603-H605 VanDerWaalsContact C-N 3.25Å; L603-H605 PolarHBondContact O-N 3.22Å; L603-L606 PolarHBondContact O-N 3.11Å; L603-Y607 HydrophobicContact CB-CD2 4.45Å; L603-Y607 HydrophobicContact CB-CE2 3.96Å; L603-Y607 HydrophobicContact CD2-CE2 4.17Å; L603-Y607 HydrophobicContact CG-CE2 3.99Å; L603-Y607 WeakPolarHBondContact O-CD2 3.36Å; L603-Y607 PolarHBondContact O-N 2.77Å; L603-Y607 VanDerWaalsContact O-N 3.14Å
604	S	68.2	Low	65.6	Low	51 Å²	51	89.8 Å²	89.8	36%	0.357	45%	0.447	S	S	.	.	H	α-helix	trans	-69	-20.8	-179.5	75.2	0	0	0	0	114.3	H601 K602	H601-S604 PolarHBondContact ND1-OG 2.83Å; H601-S604 WeakPolarHBondContact O-CA 3.46Å; H601-S604 VanDerWaalsContact O-CB 3.31Å; H601-S604 WeakPolarHBondContact O-CB 3.48Å; H601-S604 PolarHBondContact O-N 3.25Å; H601-S604 PolarHBondContact O-OG 3.39Å; K602-S604 PolarHBondContact O-N 3.47Å
605	H	70.1	Confident	65.1	Low	58 Å²	58	96.7 Å²	96.7	27%	0.269	47%	0.467	S	S	.	.	H	α-helix	trans	-83.1	-43.3	170.9	-62.2	-54.5	0	0	0	112.1	C583 A585 C588 H601 K602 L603 Y607 A608 A609	C583-H605 PolarHBondContact SG-CD2 3.47Å; C583-H605 PolarHBondContact SG-NE2 3.49Å; C583-H605 VanDerWaalsContact SG-NE2 3.42Å; A585-H605 HydrophobicContact CB-CB 4.43Å; A585-H605 VanDerWaalsContact CB-CD2 3.45Å; A585-H605 WeakPolarHBondContact CB-CD2 3.5Å; C588-H605 PolarHBondContact SG-CE1 2.88Å; C588-H605 PolarHBondContact SG-NE2 2.96Å; H601-H605 AromaticContact CD2-NE2 3.76Å; H601-H605 AromaticContact CE1-CE1 3.83Å; H601-H605 AromaticContact CE1-NE2 3.31Å; H601-H605 PolarHBondContact CE1-NE2 3.03Å; H601-H605 VanDerWaalsContact CE1-NE2 3.31Å; H601-H605 AromaticContact NE2-CD2 3.88Å; H601-H605 AromaticContact NE2-CE1 3.87Å; H601-H605 AromaticContact NE2-NE2 2.98Å; H601-H605 PolarHBondContact NE2-NE2 3.16Å; K602-H605 WeakPolarHBondContact O-CB 3.08Å; K602-H605 PolarHBondContact O-N 3.18Å; L603-H605 VanDerWaalsContact C-N 3.25Å; L603-H605 PolarHBondContact O-N 3.22Å; H605-Y607 VanDerWaalsContact C-N 3.31Å; H605-Y607 PolarHBondContact O-N 2.77Å; H605-A608 WeakPolarHBondContact O-CA 3.33Å; H605-A608 VanDerWaalsContact O-CB 3.31Å; H605-A608 WeakPolarHBondContact O-CB 3.42Å; H605-A608 PolarHBondContact O-N 3.34Å; H605-A609 PolarHBondContact O-N 2.9Å
606	L	64.8	Low	64.6	Low	120 Å²	120	95 Å²	95	63%	0.628	46%	0.456	S	S	*	.	H	α-helix	trans	-55.8	-46.8	177.2	-64.6	174	0	0	0	111.1	K602 L603 A608 A609 D610	K602-L606 PolarHBondContact O-N 3.36Å; K602-L606 VanDerWaalsContact O-N 3.14Å; L603-L606 PolarHBondContact O-N 3.11Å; L606-A608 PolarHBondContact O-N 3.38Å; L606-A608 VanDerWaalsContact O-N 3.16Å; L606-A609 PolarHBondContact O-N 3.16Å; L606-D610 PolarHBondContact O-N 3.41Å
607	Y	58.1	Low	64.7	Low	92 Å²	92	93.6 Å²	93.6	36%	0.361	45%	0.449	S	S	.	.	H	α-helix	trans	-71.3	-3.5	176	-57.4	-53.7	0	0	0	114.9	L603 H605 R616	L603-Y607 HydrophobicContact CB-CD2 4.45Å; L603-Y607 HydrophobicContact CB-CE2 3.96Å; L603-Y607 HydrophobicContact CD2-CE2 4.17Å; L603-Y607 HydrophobicContact CG-CE2 3.99Å; L603-Y607 WeakPolarHBondContact O-CD2 3.36Å; L603-Y607 PolarHBondContact O-N 2.77Å; L603-Y607 VanDerWaalsContact O-N 3.14Å; H605-Y607 VanDerWaalsContact C-N 3.31Å; H605-Y607 PolarHBondContact O-N 2.77Å; Y607-R616 PolarHBondContact O-NH2 3.36Å
608	A	54.2	Low	65	Low	71 Å²	71	93.4 Å²	93.4	59%	0.587	46%	0.455	S	S	*	.	H	α-helix	trans	-91.1	-24.9	175.8	0	0	0	0	0	112.8	H605 L606	H605-A608 WeakPolarHBondContact O-CA 3.33Å; H605-A608 VanDerWaalsContact O-CB 3.31Å; H605-A608 WeakPolarHBondContact O-CB 3.42Å; H605-A608 PolarHBondContact O-N 3.34Å; L606-A608 PolarHBondContact O-N 3.38Å; L606-A608 VanDerWaalsContact O-N 3.16Å
609	A	52.9	Low	65.4	Low	84 Å²	84	93.6 Å²	93.6	69%	0.694	46%	0.457	S	S	*	.	H	α-helix	trans	-80.9	-40.3	170.3	0	0	0	0	0	111.6	H605 L606 R611	H605-A609 PolarHBondContact O-N 2.9Å; L606-A609 PolarHBondContact O-N 3.16Å; A609-R611 PolarHBondContact O-N 3.29Å; A609-R611 VanDerWaalsContact O-N 3.13Å
610	D	47.1	Very low	65.5	Low	74 Å²	74	94.7 Å²	94.7	40%	0.396	47%	0.473	S	S	.	.			trans	-65.9	110.2	175.6	-174.7	6.4	0	0	0	111.2	L606 D612	L606-D610 PolarHBondContact O-N 3.41Å; D610-D612 VanDerWaalsContact C-N 3.29Å; D610-D612 VanDerWaalsContact OD1-CB 3.26Å; D610-D612 WeakPolarHBondContact OD1-CB 3.4Å; D610-D612 PolarHBondContact OD1-N 3.49Å
611	R	47.1	Very low	66	Low	229 Å²	229	93.4 Å²	93.4	86%	0.864	47%	0.469	S	S	*	.			trans	-78.6	-9.1	176.1	-82.1	-76.8	-169.5	159.2	4.5	112.9	A609 S613	A609-R611 PolarHBondContact O-N 3.29Å; A609-R611 VanDerWaalsContact O-N 3.13Å; R611-S613 PolarHBondContact O-N 2.97Å; R611-S613 PolarHBondContact O-OG 2.7Å
612	D	51.2	Low	66.3	Low	56 Å²	56	97.3 Å²	97.3	30%	0.299	50%	0.504	S	S	.	.			trans	-67.3	98.5	179	-164.8	-19.3	0	0	0	111.1	D610 R614 R615	D610-D612 VanDerWaalsContact C-N 3.29Å; D610-D612 VanDerWaalsContact OD1-CB 3.26Å; D610-D612 WeakPolarHBondContact OD1-CB 3.4Å; D610-D612 PolarHBondContact OD1-N 3.49Å; D612-R614 VanDerWaalsContact CG-NE 3.34Å; D612-R614 PolarHBondContact O-N 3.08Å; D612-R614 WeakPolarHBondContact OD1-CB 3.25Å; D612-R614 WeakPolarHBondContact OD1-CG 3.49Å; D612-R614 IonicContact OD1-CZ 2.69Å; D612-R614 PolarHBondContact OD1-N 2.9Å; D612-R614 IonicContact OD1-NE 2.71Å; D612-R614 PolarHBondContact OD1-NE 3.2Å; D612-R614 IonicContact OD1-NH2 3.87Å; D612-R614 IonicContact OD2-CZ 2.65Å; D612-R614 IonicContact OD2-NE 3.98Å; D612-R614 PolarHBondContact OD2-NE 3.47Å; D612-R614 IonicContact OD2-NH2 3.22Å; D612-R614 PolarHBondContact OD2-NH2 3.2Å; D612-R615 PolarHBondContact O-N 3.15Å
613	S	54.7	Low	66.4	Low	95 Å²	95	97.7 Å²	97.7	66%	0.664	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-67.8	-5.9	-177.1	-62.4	0	0	0	0	112.9	R611 R615	R611-S613 PolarHBondContact O-N 2.97Å; R611-S613 PolarHBondContact O-OG 2.7Å; S613-R615 VanDerWaalsContact C-N 3.29Å; S613-R615 PolarHBondContact O-N 2.89Å
614	R	57.2	Low	66.8	Low	217 Å²	217	94.8 Å²	94.8	82%	0.819	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27.5	172.8	-65.7	177.9	-78	-160.2	1	113	D612	D612-R614 VanDerWaalsContact CG-NE 3.34Å; D612-R614 PolarHBondContact O-N 3.08Å; D612-R614 WeakPolarHBondContact OD1-CB 3.25Å; D612-R614 WeakPolarHBondContact OD1-CG 3.49Å; D612-R614 IonicContact OD1-CZ 2.69Å; D612-R614 PolarHBondContact OD1-N 2.9Å; D612-R614 IonicContact OD1-NE 2.71Å; D612-R614 PolarHBondContact OD1-NE 3.2Å; D612-R614 IonicContact OD1-NH2 3.87Å; D612-R614 IonicContact OD2-CZ 2.65Å; D612-R614 IonicContact OD2-NE 3.98Å; D612-R614 PolarHBondContact OD2-NE 3.47Å; D612-R614 IonicContact OD2-NH2 3.22Å; D612-R614 PolarHBondContact OD2-NH2 3.2Å
615	R	55.2	Low	67.4	Low	184 Å²	184	96.1 Å²	96.1	69%	0.694	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-88.2	-10.2	-175.6	-65.3	-171.5	-178.3	-138.9	-0.2	115.8	D612 S613	D612-R615 PolarHBondContact O-N 3.15Å; S613-R615 VanDerWaalsContact C-N 3.29Å; S613-R615 PolarHBondContact O-N 2.89Å
616	R	63	Low	68.1	Low	81 Å²	81	98.2 Å²	98.2	31%	0.306	55%	0.548	S	S	.	.	S	Bend	trans	-142.1	138	174.7	-62.4	-164.3	-71.1	179	-3.5	112.4	Y607 A618 A627	Y607-R616 PolarHBondContact O-NH2 3.36Å; R616-A618 PolarHBondContact O-N 3.34Å; R616-A627 HydrophobicContact CB-CB 3.95Å
617	H	79.7	Confident	69	Low	76 Å²	76	94.3 Å²	94.3	35%	0.352	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	87.9	175	-53.8	-77.8	0	0	0	110.2	Y628 L631 L634	H617-Y628 WeakPolarHBondContact CB-O 3.46Å; H617-Y628 PolarHBondContact CD2-O 3.37Å; H617-Y628 PolarHBondContact N-O 3.39Å; H617-Y628 PolarHBondContact O-N 3.02Å; H617-L631 PolarHBondContact CD2-N 3.02Å; H617-L631 PolarHBondContact NE2-N 3.24Å; H617-L631 VanDerWaalsContact NE2-N 3.12Å; H617-L634 HydrophobicContact CB-CB 3.86Å; H617-L634 HydrophobicContact CB-CD2 3.79Å; H617-L634 HydrophobicContact CB-CG 4.44Å
618	A	81.7	Confident	70.2	Confident	51 Å²	51	93 Å²	93	42%	0.421	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	150.3	176.2	0	0	0	0	0	112.3	R616 A627 L634	R616-A618 PolarHBondContact O-N 3.34Å; A618-A627 HydrophobicContact CB-CB 4.35Å; A618-L634 VanDerWaalsContact O-CD2 3.22Å; A618-L634 WeakPolarHBondContact O-CD2 3.49Å
619	C	85.5	Confident	71.5	Confident	13 Å²	13	94.7 Å²	94.7	9%	0.088	54%	0.535	C	S	.	.			trans	-85.9	118.2	174.1	-171.3	0	0	0	0	111.1	Y621 C624 K626 L634 H637 H641	C619-Y621 PolarHBondContact O-N 2.91Å; C619-C624 HydrophobicContact CB-CB 4.43Å; C619-K626 VanDerWaalsContact CB-O 3.23Å; C619-K626 WeakPolarHBondContact CB-O 3.3Å; C619-K626 PolarHBondContact N-O 2.64Å; C619-L634 HydrophobicContact CB-CD1 3.9Å; C619-H637 VanDerWaalsContact SG-CD2 3.58Å; C619-H637 PolarHBondContact SG-NE2 3.48Å; C619-H641 VanDerWaalsContact SG-CD2 3.57Å; C619-H641 PolarHBondContact SG-NE2 3.2Å
620	T	82.7	Confident	73	Confident	132 Å²	132	97.7 Å²	97.7	81%	0.81	53%	0.533	S	S	*	.			trans	-66.3	-13.1	-178.1	-27	0	0	0	0	114.2	A622	T620-A622 PolarHBondContact O-N 2.85Å
621	Y	82.2	Confident	74.7	Confident	100 Å²	100	97.6 Å²	97.6	39%	0.392	53%	0.532	S	S	.	.	S	Bend	trans	-71.6	122.6	178.5	-83	-89.6	0	0	0	111.7	C619 C624 L638 H641 T642	C619-Y621 PolarHBondContact O-N 2.91Å; Y621-C624 WeakPolarHBondContact O-CB 3.49Å; Y621-C624 PolarHBondContact O-N 2.85Å; Y621-L638 HydrophobicContact CD2-CD2 3.86Å; Y621-L638 HydrophobicContact CE2-CD2 4.01Å; Y621-H641 HydrophobicContact CD1-CB 3.78Å; Y621-H641 AromaticContact CD1-CG 3.95Å; Y621-H641 HydrophobicContact CD2-CB 3.56Å; Y621-H641 AromaticContact CD2-CD2 3.41Å; Y621-H641 VanDerWaalsContact CD2-CD2 3.41Å; Y621-H641 WeakPolarHBondContact CD2-CD2 3.5Å; Y621-H641 AromaticContact CD2-CG 3.59Å; Y621-H641 HydrophobicContact CE1-CB 3.68Å; Y621-H641 HydrophobicContact CE2-CB 3.43Å; Y621-H641 VanDerWaalsContact CE2-CB 3.43Å; Y621-H641 HydrophobicContact CG-CB 3.72Å; Y621-H641 AromaticContact CG-CD2 3.61Å; Y621-H641 AromaticContact CG-CG 3.53Å; Y621-H641 AromaticContact CG-ND1 3.98Å; Y621-H641 VanDerWaalsContact CZ-CB 3.49Å; Y621-T642 WeakPolarHBondContact OH-CG2 3.43Å
622	A	83.5	Confident	76.6	Confident	101 Å²	101	92 Å²	92	84%	0.835	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	140.2	174.9	0	0	0	0	0	111.8	T620 C624	T620-A622 PolarHBondContact O-N 2.85Å; A622-C624 PolarHBondContact O-N 3.07Å; A622-C624 VanDerWaalsContact O-N 3.13Å
623	G	81.3	Confident	78.3	Confident	91 Å²	91	94 Å²	94	94%	0.938	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	-3.6	-176.8	0	0	0	0	0	115.9
624	C	82.7	Confident	79.8	Confident	15 Å²	15	90.2 Å²	90.2	10%	0.101	50%	0.497	C	S	.	.			trans	-83.3	-41.3	-177.1	-168.5	0	0	0	0	114.7	C619 Y621 A622 K626 H637 H641	C619-C624 HydrophobicContact CB-CB 4.43Å; Y621-C624 WeakPolarHBondContact O-CB 3.49Å; Y621-C624 PolarHBondContact O-N 2.85Å; A622-C624 PolarHBondContact O-N 3.07Å; A622-C624 VanDerWaalsContact O-N 3.13Å; C624-K626 PolarHBondContact O-N 2.75Å; C624-H637 VanDerWaalsContact SG-CE1 3.57Å; C624-H637 PolarHBondContact SG-NE2 2.72Å; C624-H641 WeakPolarHBondContact CB-CE1 3.32Å; C624-H641 WeakPolarHBondContact CB-NE2 3.43Å; C624-H641 PolarHBondContact SG-CE1 2.71Å; C624-H641 PolarHBondContact SG-NE2 3.11Å
625	G	81.1	Confident	81.2	Confident	79 Å²	79	85.4 Å²	85.4	81%	0.814	48%	0.482	S	S	*	.			trans	60.9	2.5	176.1	0	0	0	0	0	117.9
626	K	84.3	Confident	82.7	Confident	102 Å²	102	79 Å²	79	44%	0.443	46%	0.46	S	S	.	.			trans	-85.8	126.8	-173.8	-70.6	164.6	-160	141.8	0	111.1	C619 C624 Y628	C619-K626 VanDerWaalsContact CB-O 3.23Å; C619-K626 WeakPolarHBondContact CB-O 3.3Å; C619-K626 PolarHBondContact N-O 2.64Å; C624-K626 PolarHBondContact O-N 2.75Å; K626-Y628 HydrophobicContact CB-CE2 3.81Å
627	A	84.2	Confident	83.8	Confident	38 Å²	38	75.7 Å²	75.7	31%	0.314	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.1	174.8	0	0	0	0	0	111.8	R616 A618	R616-A627 HydrophobicContact CB-CB 3.95Å; A618-A627 HydrophobicContact CB-CB 4.35Å
628	Y	82.9	Confident	84.1	Confident	64 Å²	64	74.3 Å²	74.3	25%	0.251	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.7	-172.9	-65.7	-89.9	0	0	0	111.7	H617 K626 K630 K633 L634 H637	H617-Y628 WeakPolarHBondContact CB-O 3.46Å; H617-Y628 PolarHBondContact CD2-O 3.37Å; H617-Y628 PolarHBondContact N-O 3.39Å; H617-Y628 PolarHBondContact O-N 3.02Å; K626-Y628 HydrophobicContact CB-CE2 3.81Å; Y628-K630 PolarHBondContact O-N 3.38Å; Y628-K633 HydrophobicContact CD1-CB 3.69Å; Y628-K633 HydrophobicContact CG-CB 4.11Å; Y628-L634 HydrophobicContact CD2-CB 4.2Å; Y628-L634 HydrophobicContact CD2-CD1 4.23Å; Y628-H637 HydrophobicContact CD2-CB 4.5Å; Y628-H637 HydrophobicContact CE1-CB 4.44Å; Y628-H637 HydrophobicContact CE2-CB 3.68Å; Y628-H637 AromaticContact CE2-CD2 3.36Å; Y628-H637 WeakPolarHBondContact CE2-CD2 3.42Å; Y628-H637 AromaticContact CE2-CG 3.6Å; Y628-H637 AromaticContact CZ-CD2 3.92Å; Y628-H637 AromaticContact CZ-CG 3.7Å; Y628-H637 VanDerWaalsContact OH-CG 3.3Å
629	S	81.5	Confident	84.4	Confident	106 Å²	106	74.8 Å²	74.8	74%	0.741	43%	0.434	S	S	*	.	S	Bend	trans	-73.1	-3.1	178.2	53.9	0	0	0	0	114.9
630	K	84.4	Confident	84.2	Confident	147 Å²	147	77.1 Å²	77.1	64%	0.639	45%	0.451	S	S	*	.	S	Bend	trans	-147.1	134.8	176	-60.7	-166.6	179.3	-160.5	0	111.4	Y628 N632 K633 L634	Y628-K630 PolarHBondContact O-N 3.38Å; K630-N632 VanDerWaalsContact C-N 3.25Å; K630-N632 PolarHBondContact O-N 2.85Å; K630-N632 VanDerWaalsContact O-N 3.16Å; K630-K633 WeakPolarHBondContact O-CA 3.32Å; K630-K633 WeakPolarHBondContact O-CB 3.33Å; K630-K633 PolarHBondContact O-N 3Å; K630-L634 PolarHBondContact O-N 2.37Å
631	L	83.2	Confident	84.4	Confident	72 Å²	72	74.3 Å²	74.3	38%	0.377	43%	0.428	S	S	.	.	H	α-helix	trans	-54.3	-38.8	-176.5	-178.3	57.9	0	0	0	113.1	H617 K633 L634 K635	H617-L631 PolarHBondContact CD2-N 3.02Å; H617-L631 PolarHBondContact NE2-N 3.24Å; H617-L631 VanDerWaalsContact NE2-N 3.12Å; L631-K633 PolarHBondContact O-N 2.96Å; L631-L634 HydrophobicContact CD1-CD2 4.32Å; L631-L634 CarbonylContact O-C 3.27Å; L631-L634 WeakPolarHBondContact O-CB 3.46Å; L631-L634 PolarHBondContact O-N 3.24Å; L631-L634 VanDerWaalsContact O-N 3.1Å; L631-K635 HydrophobicContact CD1-CG 4.42Å; L631-K635 HydrophobicContact CG-CD 4.31Å; L631-K635 HydrophobicContact CG-CG 4.44Å; L631-K635 PolarHBondContact O-N 2.82Å
632	N	86.2	Confident	84.5	Confident	112 Å²	112	72.6 Å²	72.6	60%	0.599	43%	0.428	S	S	*	.	H	α-helix	trans	-63.5	-24.4	177.9	-68	-17.9	0	0	0	112.9	K630 E636	K630-N632 VanDerWaalsContact C-N 3.25Å; K630-N632 PolarHBondContact O-N 2.85Å; K630-N632 VanDerWaalsContact O-N 3.16Å; N632-E636 WeakPolarHBondContact O-CB 3.2Å; N632-E636 VanDerWaalsContact O-CG 3.31Å; N632-E636 WeakPolarHBondContact O-CG 3.31Å; N632-E636 PolarHBondContact O-N 2.73Å
633	K	86.9	Confident	84.4	Confident	98 Å²	98	69.4 Å²	69.4	43%	0.426	41%	0.405	S	S	.	.	H	α-helix	trans	-83.4	-29.3	173.7	-60.2	-51.9	-177.9	-169.9	0	113	Y628 K630 L631 E636 H637	Y628-K633 HydrophobicContact CD1-CB 3.69Å; Y628-K633 HydrophobicContact CG-CB 4.11Å; K630-K633 WeakPolarHBondContact O-CA 3.32Å; K630-K633 WeakPolarHBondContact O-CB 3.33Å; K630-K633 PolarHBondContact O-N 3Å; L631-K633 PolarHBondContact O-N 2.96Å; K633-E636 WeakPolarHBondContact CD-OE2 3.48Å; K633-E636 IonicContact NZ-OE1 3.75Å; K633-E636 PolarHBondContact NZ-OE1 2.85Å; K633-E636 IonicContact NZ-OE2 2.7Å; K633-E636 PolarHBondContact NZ-OE2 3.11Å; K633-H637 WeakPolarHBondContact O-CB 3.48Å; K633-H637 PolarHBondContact O-N 3.04Å
634	L	86.9	Confident	84.5	Confident	15 Å²	15	69.7 Å²	69.7	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-48.7	163	174.9	61.3	0	0	0	110.8	H617 A618 C619 Y628 K630 L631 E636 H637 L638	H617-L634 HydrophobicContact CB-CB 3.86Å; H617-L634 HydrophobicContact CB-CD2 3.79Å; H617-L634 HydrophobicContact CB-CG 4.44Å; A618-L634 VanDerWaalsContact O-CD2 3.22Å; A618-L634 WeakPolarHBondContact O-CD2 3.49Å; C619-L634 HydrophobicContact CB-CD1 3.9Å; Y628-L634 HydrophobicContact CD2-CB 4.2Å; Y628-L634 HydrophobicContact CD2-CD1 4.23Å; K630-L634 PolarHBondContact O-N 2.37Å; L631-L634 HydrophobicContact CD1-CD2 4.32Å; L631-L634 CarbonylContact O-C 3.27Å; L631-L634 WeakPolarHBondContact O-CB 3.46Å; L631-L634 PolarHBondContact O-N 3.24Å; L631-L634 VanDerWaalsContact O-N 3.1Å; L634-E636 PolarHBondContact O-N 3.47Å; L634-H637 CarbonylContact O-C 3.54Å; L634-H637 WeakPolarHBondContact O-CA 3.5Å; L634-H637 WeakPolarHBondContact O-CB 3.34Å; L634-H637 PolarHBondContact O-N 3.07Å; L634-L638 HydrophobicContact CD1-CD1 4.28Å; L634-L638 HydrophobicContact CD1-CD2 4.05Å; L634-L638 HydrophobicContact CD1-CG 3.87Å; L634-L638 HydrophobicContact CD2-CD1 4.47Å; L634-L638 HydrophobicContact CG-CD1 3.98Å; L634-L638 HydrophobicContact CG-CG 4.07Å; L634-L638 WeakPolarHBondContact O-CG 3.48Å; L634-L638 PolarHBondContact O-N 3.46Å
635	K	86.2	Confident	84.7	Confident	117 Å²	117	75.7 Å²	75.7	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-61	-39.2	177.8	-69.3	-177.3	175.6	-176.5	0	112.7	L631 H637	L631-K635 HydrophobicContact CD1-CG 4.42Å; L631-K635 HydrophobicContact CG-CD 4.31Å; L631-K635 HydrophobicContact CG-CG 4.44Å; L631-K635 PolarHBondContact O-N 2.82Å; K635-H637 PolarHBondContact O-N 2.85Å
636	E	86.5	Confident	84.9	Confident	49 Å²	49	75.2 Å²	75.2	23%	0.229	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-25.1	169.3	-83.3	174.1	-143	0	0	113.7	N632 K633 L634 I659 R660	N632-E636 WeakPolarHBondContact O-CB 3.2Å; N632-E636 VanDerWaalsContact O-CG 3.31Å; N632-E636 WeakPolarHBondContact O-CG 3.31Å; N632-E636 PolarHBondContact O-N 2.73Å; K633-E636 WeakPolarHBondContact CD-OE2 3.48Å; K633-E636 IonicContact NZ-OE1 3.75Å; K633-E636 PolarHBondContact NZ-OE1 2.85Å; K633-E636 IonicContact NZ-OE2 2.7Å; K633-E636 PolarHBondContact NZ-OE2 3.11Å; L634-E636 PolarHBondContact O-N 3.47Å; E636-I659 WeakPolarHBondContact O-CG2 3.33Å; E636-R660 HydrophobicContact CG-CG 4.06Å; E636-R660 WeakPolarHBondContact OE2-CD 3.42Å; E636-R660 IonicContact OE2-NH1 2.75Å
637	H	86.2	Confident	85.2	Confident	12 Å²	12	74.2 Å²	74.2	6%	0.056	38%	0.379	C	S	.	.	H	α-helix	trans	-92.1	-36.9	179	167.7	48.7	0	0	0	113.5	C619 C624 Y628 K633 L634 K635 R639 S640 H641	C619-H637 VanDerWaalsContact SG-CD2 3.58Å; C619-H637 PolarHBondContact SG-NE2 3.48Å; C624-H637 VanDerWaalsContact SG-CE1 3.57Å; C624-H637 PolarHBondContact SG-NE2 2.72Å; Y628-H637 HydrophobicContact CD2-CB 4.5Å; Y628-H637 HydrophobicContact CE1-CB 4.44Å; Y628-H637 HydrophobicContact CE2-CB 3.68Å; Y628-H637 AromaticContact CE2-CD2 3.36Å; Y628-H637 WeakPolarHBondContact CE2-CD2 3.42Å; Y628-H637 AromaticContact CE2-CG 3.6Å; Y628-H637 AromaticContact CZ-CD2 3.92Å; Y628-H637 AromaticContact CZ-CG 3.7Å; Y628-H637 VanDerWaalsContact OH-CG 3.3Å; K633-H637 WeakPolarHBondContact O-CB 3.48Å; K633-H637 PolarHBondContact O-N 3.04Å; L634-H637 CarbonylContact O-C 3.54Å; L634-H637 WeakPolarHBondContact O-CA 3.5Å; L634-H637 WeakPolarHBondContact O-CB 3.34Å; L634-H637 PolarHBondContact O-N 3.07Å; K635-H637 PolarHBondContact O-N 2.85Å; H637-R639 PolarHBondContact O-N 2.62Å; H637-R639 VanDerWaalsContact O-N 3.15Å; H637-S640 PolarHBondContact CE1-OG 3.01Å; H637-S640 PolarHBondContact ND1-OG 2.87Å; H637-S640 WeakPolarHBondContact O-CA 3.41Å; H637-S640 WeakPolarHBondContact O-CB 3.37Å; H637-S640 PolarHBondContact O-N 2.96Å; H637-S640 PolarHBondContact O-OG 2.95Å; H637-H641 AromaticContact CD2-NE2 3.83Å; H637-H641 AromaticContact CE1-CD2 3.76Å; H637-H641 AromaticContact CE1-NE2 2.96Å; H637-H641 PolarHBondContact CE1-NE2 3.3Å; H637-H641 AromaticContact NE2-CD2 3.77Å; H637-H641 AromaticContact NE2-NE2 2.62Å; H637-H641 PolarHBondContact NE2-NE2 3.14Å
638	L	86	Confident	85.4	Confident	47 Å²	47	76.5 Å²	76.5	25%	0.246	39%	0.389	C	S	.	.	H	α-helix	trans	-56.5	-33.8	178.9	-71.4	171.2	0	0	0	112	Y621 L634 S640 H641 T642	Y621-L638 HydrophobicContact CD2-CD2 3.86Å; Y621-L638 HydrophobicContact CE2-CD2 4.01Å; L634-L638 HydrophobicContact CD1-CD1 4.28Å; L634-L638 HydrophobicContact CD1-CD2 4.05Å; L634-L638 HydrophobicContact CD1-CG 3.87Å; L634-L638 HydrophobicContact CD2-CD1 4.47Å; L634-L638 HydrophobicContact CG-CD1 3.98Å; L634-L638 HydrophobicContact CG-CG 4.07Å; L634-L638 WeakPolarHBondContact O-CG 3.48Å; L634-L638 PolarHBondContact O-N 3.46Å; L638-S640 PolarHBondContact O-N 3.12Å; L638-S640 VanDerWaalsContact O-N 3.12Å; L638-H641 WeakPolarHBondContact O-CA 3.5Å; L638-H641 WeakPolarHBondContact O-CB 3.4Å; L638-H641 PolarHBondContact O-N 3.22Å; L638-T642 PolarHBondContact O-N 3.2Å
639	R	87.7	Confident	85.6	Confident	60 Å²	60	73.9 Å²	73.9	23%	0.226	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.9	170	-68.4	-179.4	179.6	156.7	3.4	115.7	H637 H641 T642 G643 E644 I659	H637-R639 PolarHBondContact O-N 2.62Å; H637-R639 VanDerWaalsContact O-N 3.15Å; R639-H641 VanDerWaalsContact C-N 3.3Å; R639-T642 WeakPolarHBondContact CA-OG1 3.26Å; R639-G643 CarbonylContact O-C 3.42Å; R639-G643 WeakPolarHBondContact O-CA 3.47Å; R639-G643 PolarHBondContact O-N 3.23Å; R639-G643 VanDerWaalsContact O-N 3.13Å; R639-E644 HydrophobicContact CB-CB 4.27Å; R639-E644 HydrophobicContact CG-CB 4.05Å; R639-E644 PolarHBondContact O-N 3.23Å; R639-I659 HydrophobicContact CB-CG2 3.58Å; R639-I659 HydrophobicContact CG-CG2 4.45Å; R639-I659 PolarHBondContact NH1-O 2.88Å
640	S	82.6	Confident	85.9	Confident	63 Å²	63	78.5 Å²	78.5	44%	0.441	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.1	172.4	64.8	0	0	0	0	113.7	H637 L638	H637-S640 PolarHBondContact CE1-OG 3.01Å; H637-S640 PolarHBondContact ND1-OG 2.87Å; H637-S640 WeakPolarHBondContact O-CA 3.41Å; H637-S640 WeakPolarHBondContact O-CB 3.37Å; H637-S640 PolarHBondContact O-N 2.96Å; H637-S640 PolarHBondContact O-OG 2.95Å; L638-S640 PolarHBondContact O-N 3.12Å; L638-S640 VanDerWaalsContact O-N 3.12Å
641	H	86.3	Confident	85.8	Confident	73 Å²	73	74 Å²	74	34%	0.338	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-45.1	169.3	-63.1	-67.3	0	0	0	112	C619 Y621 C624 H637 L638 R639 G643	C619-H641 VanDerWaalsContact SG-CD2 3.57Å; C619-H641 PolarHBondContact SG-NE2 3.2Å; Y621-H641 HydrophobicContact CD1-CB 3.78Å; Y621-H641 AromaticContact CD1-CG 3.95Å; Y621-H641 HydrophobicContact CD2-CB 3.56Å; Y621-H641 AromaticContact CD2-CD2 3.41Å; Y621-H641 VanDerWaalsContact CD2-CD2 3.41Å; Y621-H641 WeakPolarHBondContact CD2-CD2 3.5Å; Y621-H641 AromaticContact CD2-CG 3.59Å; Y621-H641 HydrophobicContact CE1-CB 3.68Å; Y621-H641 HydrophobicContact CE2-CB 3.43Å; Y621-H641 VanDerWaalsContact CE2-CB 3.43Å; Y621-H641 HydrophobicContact CG-CB 3.72Å; Y621-H641 AromaticContact CG-CD2 3.61Å; Y621-H641 AromaticContact CG-CG 3.53Å; Y621-H641 AromaticContact CG-ND1 3.98Å; Y621-H641 VanDerWaalsContact CZ-CB 3.49Å; C624-H641 WeakPolarHBondContact CB-CE1 3.32Å; C624-H641 WeakPolarHBondContact CB-NE2 3.43Å; C624-H641 PolarHBondContact SG-CE1 2.71Å; C624-H641 PolarHBondContact SG-NE2 3.11Å; H637-H641 AromaticContact CD2-NE2 3.83Å; H637-H641 AromaticContact CE1-CD2 3.76Å; H637-H641 AromaticContact CE1-NE2 2.96Å; H637-H641 PolarHBondContact CE1-NE2 3.3Å; H637-H641 AromaticContact NE2-CD2 3.77Å; H637-H641 AromaticContact NE2-NE2 2.62Å; H637-H641 PolarHBondContact NE2-NE2 3.14Å; L638-H641 WeakPolarHBondContact O-CA 3.5Å; L638-H641 WeakPolarHBondContact O-CB 3.4Å; L638-H641 PolarHBondContact O-N 3.22Å; R639-H641 VanDerWaalsContact C-N 3.3Å; H641-G643 PolarHBondContact O-N 3.42Å
642	T	84.5	Confident	85.9	Confident	63 Å²	63	76.5 Å²	76.5	39%	0.387	38%	0.383	S	S	.	.	S	Bend	trans	-69.2	-12.1	174.1	66.4	0	0	0	0	113	Y621 L638 R639 E644	Y621-T642 WeakPolarHBondContact OH-CG2 3.43Å; L638-T642 PolarHBondContact O-N 3.2Å; R639-T642 WeakPolarHBondContact CA-OG1 3.26Å; T642-E644 VanDerWaalsContact CB-OE1 3.29Å; T642-E644 WeakPolarHBondContact CB-OE1 3.12Å; T642-E644 PolarHBondContact O-N 3.01Å; T642-E644 VanDerWaalsContact O-N 3.16Å; T642-E644 VanDerWaalsContact OG1-CD 3.24Å; T642-E644 WeakPolarHBondContact OG1-CG 3.35Å; T642-E644 PolarHBondContact OG1-OE1 3.02Å
643	G	81	Confident	85.7	Confident	35 Å²	35	75.6 Å²	75.6	36%	0.361	40%	0.4	S	S	.	.			trans	76.8	-9.3	-180	0	0	0	0	0	114.8	R639 H641 R645	R639-G643 CarbonylContact O-C 3.42Å; R639-G643 WeakPolarHBondContact O-CA 3.47Å; R639-G643 PolarHBondContact O-N 3.23Å; R639-G643 VanDerWaalsContact O-N 3.13Å; H641-G643 PolarHBondContact O-N 3.42Å; G643-R645 PolarHBondContact O-NH1 2.85Å; G643-R645 VanDerWaalsContact O-NH1 3.12Å
644	E	82.2	Confident	85.6	Confident	96 Å²	96	72.5 Å²	72.5	45%	0.449	39%	0.391	S	S	.	.			trans	-49.9	132.4	-178.9	-79.3	167.6	-116.2	0	0	113.4	R639 T642 P646	R639-E644 HydrophobicContact CB-CB 4.27Å; R639-E644 HydrophobicContact CG-CB 4.05Å; R639-E644 PolarHBondContact O-N 3.23Å; T642-E644 VanDerWaalsContact CB-OE1 3.29Å; T642-E644 WeakPolarHBondContact CB-OE1 3.12Å; T642-E644 PolarHBondContact O-N 3.01Å; T642-E644 VanDerWaalsContact O-N 3.16Å; T642-E644 VanDerWaalsContact OG1-CD 3.24Å; T642-E644 WeakPolarHBondContact OG1-CG 3.35Å; T642-E644 PolarHBondContact OG1-OE1 3.02Å; E644-P646 HydrophobicContact CB-CG 4.46Å
645	R	88.5	Confident	85.5	Confident	142 Å²	142	74.7 Å²	74.7	54%	0.536	42%	0.417	S	S	.	.			trans	-129.8	71.1	177.4	-74.6	164	162	90.4	-11.8	110.8	G643 Y647 A657 F658 I659	G643-R645 PolarHBondContact O-NH1 2.85Å; G643-R645 VanDerWaalsContact O-NH1 3.12Å; R645-Y647 PolarHBondContact O-N 2.95Å; R645-A657 HydrophobicContact CB-CB 3.53Å; R645-A657 VanDerWaalsContact CD-O 3.25Å; R645-A657 WeakPolarHBondContact CD-O 3.49Å; R645-A657 HydrophobicContact CG-CB 4.37Å; R645-A657 PolarHBondContact NE-O 3.46Å; R645-F658 CarbonylContact C-O 3.59Å; R645-F658 VanDerWaalsContact C-O 3.27Å; R645-F658 WeakPolarHBondContact CA-O 3.39Å; R645-I659 HydrophobicContact CG-CG1 4.2Å
646	P	84.3	Confident	85.6	Confident	68 Å²	68	70.6 Å²	70.6	44%	0.442	41%	0.405	S	S	.	.			trans	-67.6	-12.4	-168.8	-22.4	36	0	0	0	115	E644	E644-P646 HydrophobicContact CB-CG 4.46Å
647	Y	90.7	Very high	85.7	Confident	81 Å²	81	69.8 Å²	69.8	32%	0.318	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	93	179.8	-53.1	-81.1	0	0	0	109.3	R645 F658 I659 R660 L661 V664	R645-Y647 PolarHBondContact O-N 2.95Å; Y647-F658 WeakPolarHBondContact CD2-O 3.44Å; Y647-F658 PolarHBondContact N-O 2.92Å; Y647-F658 VanDerWaalsContact N-O 3.14Å; Y647-F658 PolarHBondContact O-N 3.2Å; Y647-I659 WeakPolarHBondContact CE2-O 3.39Å; Y647-R660 VanDerWaalsContact CD2-C 3.4Å; Y647-R660 VanDerWaalsContact CD2-CA 3.42Å; Y647-L661 HydrophobicContact CD1-CB 3.78Å; Y647-L661 HydrophobicContact CD1-CD1 3.85Å; Y647-L661 HydrophobicContact CD1-CG 4.38Å; Y647-L661 HydrophobicContact CE1-CB 3.79Å; Y647-L661 HydrophobicContact CE1-CD1 4.37Å; Y647-L661 HydrophobicContact CG-CB 4.22Å; Y647-V664 WeakPolarHBondContact O-CG2 3.28Å
648	V	87.7	Confident	85.8	Confident	87 Å²	87	71.4 Å²	71.4	53%	0.527	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	146.7	169.5	-65.8	0	0	0	0	111	A657	V648-A657 HydrophobicContact CG1-CB 3.98Å
649	C	89.1	Confident	85.8	Confident	9 Å²	9	71.3 Å²	71.3	6%	0.061	41%	0.413	C	S	.	.			trans	-67.4	143	163.7	-168.8	0	0	0	0	110	A656 H667 H671	C649-A656 PolarHBondContact N-O 3.04Å; C649-H667 WeakPolarHBondContact CB-NE2 3.49Å; C649-H667 PolarHBondContact SG-NE2 2.8Å; C649-H671 PolarHBondContact SG-NE2 2.85Å
650	R	86.7	Confident	85.9	Confident	203 Å²	203	73.2 Å²	73.2	77%	0.766	42%	0.42	S	S	*	.			trans	-95.1	-2.5	179.8	-68	-177.3	173.7	-171.2	-4.1	114.2
651	E	82.1	Confident	86.1	Confident	51 Å²	51	74.6 Å²	74.6	24%	0.238	42%	0.422	C	S	.	.	S	Bend	trans	-70.4	131.5	174.8	-73.1	-137.4	-173.1	0	0	111.1	C654 H671 R675	E651-C654 HydrophobicContact CB-CB 4.39Å; E651-C654 WeakPolarHBondContact O-CB 3.42Å; E651-C654 PolarHBondContact O-N 3.05Å; E651-H671 VanDerWaalsContact CD-CD2 3.44Å; E651-H671 HydrophobicContact CG-CB 4.33Å; E651-H671 VanDerWaalsContact CG-CD2 3.43Å; E651-H671 WeakPolarHBondContact CG-CD2 3.28Å; E651-H671 WeakPolarHBondContact OE1-CB 3.27Å; E651-H671 IonicContact OE1-CD2 2.9Å; E651-H671 IonicContact OE1-CG 2.74Å; E651-H671 WeakPolarHBondContact OE2-CB 3.42Å; E651-H671 IonicContact OE2-CD2 2.77Å; E651-H671 IonicContact OE2-CG 2.99Å; E651-H671 IonicContact OE2-ND1 2.75Å; E651-R675 IonicContact OE1-CZ 2.87Å; E651-R675 IonicContact OE1-NH2 3.35Å; E651-R675 PolarHBondContact OE1-NH2 2.89Å; E651-R675 VanDerWaalsContact OE1-NH2 3.09Å; E651-R675 IonicContact OE2-CZ 3.68Å; E651-R675 IonicContact OE2-NE 3.24Å; E651-R675 IonicContact OE2-NH2 2.79Å; E651-R675 PolarHBondContact OE2-NH2 2.97Å
652	P	84.9	Confident	86	Confident	126 Å²	126	77.1 Å²	77.1	82%	0.818	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	143	176.2	-28.1	35.8	0	0	0	112.8	C654	P652-C654 PolarHBondContact O-N 3.17Å; P652-C654 VanDerWaalsContact O-N 3.07Å
653	G	83.6	Confident	86.1	Confident	93 Å²	93	74.4 Å²	74.4	96%	0.959	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	-9.3	179.7	0	0	0	0	0	115.9
654	C	84	Confident	86.5	Confident	33 Å²	33	72.9 Å²	72.9	22%	0.223	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-49.4	-175.8	-176.4	0	0	0	0	114.4	E651 P652 A656 H667 H671	E651-C654 HydrophobicContact CB-CB 4.39Å; E651-C654 WeakPolarHBondContact O-CB 3.42Å; E651-C654 PolarHBondContact O-N 3.05Å; P652-C654 PolarHBondContact O-N 3.17Å; P652-C654 VanDerWaalsContact O-N 3.07Å; C654-A656 PolarHBondContact O-N 3.26Å; C654-A656 VanDerWaalsContact SG-CB 3.6Å; C654-H667 PolarHBondContact SG-CE1 2.75Å; C654-H667 PolarHBondContact SG-NE2 2.83Å; C654-H671 WeakPolarHBondContact CB-CE1 3.34Å; C654-H671 WeakPolarHBondContact CB-NE2 3.14Å; C654-H671 PolarHBondContact SG-CE1 3.15Å; C654-H671 PolarHBondContact SG-NE2 3.15Å
655	G	83.8	Confident	86.7	Confident	61 Å²	61	74.7 Å²	74.7	63%	0.629	40%	0.404	S	S	*	.			trans	61.2	-2	-179.9	0	0	0	0	0	117.1	A657	G655-A657 PolarHBondContact O-N 3.47Å
656	A	88.2	Confident	86.2	Confident	30 Å²	30	75.6 Å²	75.6	25%	0.248	41%	0.407	C	S	.	.			trans	-66.3	122.5	-169	0	0	0	0	0	112.7	C649 C654 F658	C649-A656 PolarHBondContact N-O 3.04Å; C654-A656 PolarHBondContact O-N 3.26Å; C654-A656 VanDerWaalsContact SG-CB 3.6Å; A656-F658 HydrophobicContact CB-CE2 3.82Å; A656-F658 HydrophobicContact CB-CZ 4.22Å; A656-F658 WeakPolarHBondContact O-CD2 2.91Å; A656-F658 WeakPolarHBondContact O-CE2 3.27Å
657	A	88.6	Confident	86.2	Confident	33 Å²	33	73.6 Å²	73.6	27%	0.273	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.8	-171.8	0	0	0	0	0	112.9	R645 V648 G655	R645-A657 HydrophobicContact CB-CB 3.53Å; R645-A657 VanDerWaalsContact CD-O 3.25Å; R645-A657 WeakPolarHBondContact CD-O 3.49Å; R645-A657 HydrophobicContact CG-CB 4.37Å; R645-A657 PolarHBondContact NE-O 3.46Å; V648-A657 HydrophobicContact CG1-CB 3.98Å; G655-A657 PolarHBondContact O-N 3.47Å
658	F	88.8	Confident	85.9	Confident	45 Å²	45	72.9 Å²	72.9	20%	0.197	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.6	-172.8	-59.7	-95.8	0	0	0	112.9	R645 Y647 A656 R660 V664 H667	R645-F658 CarbonylContact C-O 3.59Å; R645-F658 VanDerWaalsContact C-O 3.27Å; R645-F658 WeakPolarHBondContact CA-O 3.39Å; Y647-F658 WeakPolarHBondContact CD2-O 3.44Å; Y647-F658 PolarHBondContact N-O 2.92Å; Y647-F658 VanDerWaalsContact N-O 3.14Å; Y647-F658 PolarHBondContact O-N 3.2Å; A656-F658 HydrophobicContact CB-CE2 3.82Å; A656-F658 HydrophobicContact CB-CZ 4.22Å; A656-F658 WeakPolarHBondContact O-CD2 2.91Å; A656-F658 WeakPolarHBondContact O-CE2 3.27Å; F658-R660 VanDerWaalsContact C-N 3.27Å; F658-R660 PolarHBondContact O-N 3.41Å; F658-V664 HydrophobicContact CB-CG2 4.19Å; F658-V664 HydrophobicContact CD2-CB 4.39Å; F658-V664 HydrophobicContact CD2-CG2 3.55Å; F658-V664 HydrophobicContact CE2-CG2 4.36Å; F658-V664 HydrophobicContact CG-CG2 4.18Å; F658-H667 HydrophobicContact CE1-CB 4.17Å; F658-H667 HydrophobicContact CE2-CB 3.92Å; F658-H667 AromaticContact CE2-CD2 3.42Å; F658-H667 VanDerWaalsContact CE2-CD2 3.42Å; F658-H667 WeakPolarHBondContact CE2-CD2 3.23Å; F658-H667 AromaticContact CE2-CG 3.73Å; F658-H667 HydrophobicContact CZ-CB 3.45Å; F658-H667 VanDerWaalsContact CZ-CB 3.45Å; F658-H667 AromaticContact CZ-CD2 3.68Å; F658-H667 AromaticContact CZ-CG 3.48Å; F658-H667 VanDerWaalsContact CZ-CG 3.48Å
659	I	87.2	Confident	85.7	Confident	46 Å²	46	73 Å²	73	24%	0.236	39%	0.389	C	S	.	.	S	Bend	trans	-69.3	-24.4	178.6	-62.3	167.4	0	0	0	112.3	E636 R639 R645 Y647	E636-I659 WeakPolarHBondContact O-CG2 3.33Å; R639-I659 HydrophobicContact CB-CG2 3.58Å; R639-I659 HydrophobicContact CG-CG2 4.45Å; R639-I659 PolarHBondContact NH1-O 2.88Å; R645-I659 HydrophobicContact CG-CG1 4.2Å; Y647-I659 WeakPolarHBondContact CE2-O 3.39Å
660	R	88.6	Confident	85.3	Confident	99 Å²	99	76.2 Å²	76.2	37%	0.374	41%	0.408	S	S	.	.	S	Bend	trans	-142.5	142	-174.3	-69.7	179.5	-78.5	167.9	-5.5	112	E636 Y647 F658 Y662 G663	E636-R660 HydrophobicContact CG-CG 4.06Å; E636-R660 WeakPolarHBondContact OE2-CD 3.42Å; E636-R660 IonicContact OE2-NH1 2.75Å; Y647-R660 VanDerWaalsContact CD2-C 3.4Å; Y647-R660 VanDerWaalsContact CD2-CA 3.42Å; F658-R660 VanDerWaalsContact C-N 3.27Å; F658-R660 PolarHBondContact O-N 3.41Å; R660-Y662 VanDerWaalsContact C-N 3.34Å; R660-Y662 HydrophobicContact CB-CD1 3.74Å; R660-Y662 HydrophobicContact CB-CE1 3.6Å; R660-Y662 HydrophobicContact CG-CE1 4.34Å; R660-Y662 PolarHBondContact NH2-OH 2.8Å; R660-Y662 PolarHBondContact O-N 3.4Å; R660-G663 WeakPolarHBondContact O-CA 3.37Å; R660-G663 PolarHBondContact O-N 3.26Å
661	L	86.3	Confident	85	Confident	92 Å²	92	68.6 Å²	68.6	48%	0.482	38%	0.381	S	S	.	.	H	α-helix	trans	-56.3	-37.3	-174.8	-177.5	62.1	0	0	0	114.9	Y647 G663 V664 K665	Y647-L661 HydrophobicContact CD1-CB 3.78Å; Y647-L661 HydrophobicContact CD1-CD1 3.85Å; Y647-L661 HydrophobicContact CD1-CG 4.38Å; Y647-L661 HydrophobicContact CE1-CB 3.79Å; Y647-L661 HydrophobicContact CE1-CD1 4.37Å; Y647-L661 HydrophobicContact CG-CB 4.22Å; L661-G663 PolarHBondContact O-N 2.99Å; L661-V664 PolarHBondContact O-N 2.67Å; L661-V664 VanDerWaalsContact O-N 3.15Å; L661-K665 PolarHBondContact O-N 3.3Å
662	Y	85.2	Confident	84.7	Confident	127 Å²	127	69.9 Å²	69.9	50%	0.498	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-20	175.5	84.9	-85.3	0	0	0	112.5	R660 R666	R660-Y662 VanDerWaalsContact C-N 3.34Å; R660-Y662 HydrophobicContact CB-CD1 3.74Å; R660-Y662 HydrophobicContact CB-CE1 3.6Å; R660-Y662 HydrophobicContact CG-CE1 4.34Å; R660-Y662 PolarHBondContact NH2-OH 2.8Å; R660-Y662 PolarHBondContact O-N 3.4Å; Y662-R666 VanDerWaalsContact O-CB 3.24Å; Y662-R666 WeakPolarHBondContact O-CB 3.05Å; Y662-R666 PolarHBondContact O-N 3.04Å
663	G	87.4	Confident	84	Confident	5 Å²	5	70.4 Å²	70.4	5%	0.052	38%	0.382	C	S	.	.	H	α-helix	trans	-63.3	-51.1	170.7	0	0	0	0	0	111	R660 L661 R666 H667	R660-G663 WeakPolarHBondContact O-CA 3.37Å; R660-G663 PolarHBondContact O-N 3.26Å; L661-G663 PolarHBondContact O-N 2.99Å; G663-R666 PolarHBondContact O-N 3.34Å; G663-H667 WeakPolarHBondContact O-CB 3.44Å; G663-H667 PolarHBondContact O-N 3.1Å; G663-H667 VanDerWaalsContact O-N 3.15Å
664	V	88.5	Confident	82.8	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.024	35%	0.353	C	S	.	.	H	α-helix	trans	-57.3	-54.8	171.8	173.6	0	0	0	0	110.3	Y647 F658 L661 R666 H667 E668	Y647-V664 WeakPolarHBondContact O-CG2 3.28Å; F658-V664 HydrophobicContact CB-CG2 4.19Å; F658-V664 HydrophobicContact CD2-CB 4.39Å; F658-V664 HydrophobicContact CD2-CG2 3.55Å; F658-V664 HydrophobicContact CE2-CG2 4.36Å; F658-V664 HydrophobicContact CG-CG2 4.18Å; L661-V664 PolarHBondContact O-N 2.67Å; L661-V664 VanDerWaalsContact O-N 3.15Å; V664-R666 VanDerWaalsContact C-N 3.28Å; V664-R666 PolarHBondContact O-N 3.35Å; V664-R666 VanDerWaalsContact O-N 3.17Å; V664-H667 CarbonylContact O-C 3.52Å; V664-H667 WeakPolarHBondContact O-CA 3.48Å; V664-H667 WeakPolarHBondContact O-CB 3.36Å; V664-H667 PolarHBondContact O-N 2.88Å; V664-E668 HydrophobicContact CG1-CG 3.86Å; V664-E668 VanDerWaalsContact CG1-OE1 3.28Å; V664-E668 WeakPolarHBondContact CG1-OE1 3.38Å; V664-E668 WeakPolarHBondContact O-CG 3.47Å; V664-E668 PolarHBondContact O-N 3.09Å
665	K	86.4	Confident	81.5	Confident	133 Å²	133	72.6 Å²	72.6	58%	0.578	37%	0.367	S	S	*	.	H	α-helix	trans	-56.9	-37.4	-177.5	-67	-164.2	171.4	-162.3	0	114.6	L661 H667 E668	L661-K665 PolarHBondContact O-N 3.3Å; K665-H667 VanDerWaalsContact C-N 3.29Å; K665-E668 WeakPolarHBondContact CA-OE2 3.33Å
666	R	78.7	Confident	79.8	Confident	161 Å²	161	75.7 Å²	75.7	61%	0.608	36%	0.363	S	S	*	.	H	α-helix	trans	-72.3	-23.5	175.5	-178.2	177.9	58.1	101.8	10.2	112.8	Y662 G663 V664	Y662-R666 VanDerWaalsContact O-CB 3.24Å; Y662-R666 WeakPolarHBondContact O-CB 3.05Å; Y662-R666 PolarHBondContact O-N 3.04Å; G663-R666 PolarHBondContact O-N 3.34Å; V664-R666 VanDerWaalsContact C-N 3.28Å; V664-R666 PolarHBondContact O-N 3.35Å; V664-R666 VanDerWaalsContact O-N 3.17Å
667	H	84.4	Confident	77.6	Confident	26 Å²	26	83 Å²	83	12%	0.12	38%	0.384	C	S	.	.	H	α-helix	trans	-90.7	-30.2	176.4	158.1	63.5	0	0	0	112.6	C649 C654 F658 G663 V664 K665 L669 T670 H671	C649-H667 WeakPolarHBondContact CB-NE2 3.49Å; C649-H667 PolarHBondContact SG-NE2 2.8Å; C654-H667 PolarHBondContact SG-CE1 2.75Å; C654-H667 PolarHBondContact SG-NE2 2.83Å; F658-H667 HydrophobicContact CE1-CB 4.17Å; F658-H667 HydrophobicContact CE2-CB 3.92Å; F658-H667 AromaticContact CE2-CD2 3.42Å; F658-H667 VanDerWaalsContact CE2-CD2 3.42Å; F658-H667 WeakPolarHBondContact CE2-CD2 3.23Å; F658-H667 AromaticContact CE2-CG 3.73Å; F658-H667 HydrophobicContact CZ-CB 3.45Å; F658-H667 VanDerWaalsContact CZ-CB 3.45Å; F658-H667 AromaticContact CZ-CD2 3.68Å; F658-H667 AromaticContact CZ-CG 3.48Å; F658-H667 VanDerWaalsContact CZ-CG 3.48Å; G663-H667 WeakPolarHBondContact O-CB 3.44Å; G663-H667 PolarHBondContact O-N 3.1Å; G663-H667 VanDerWaalsContact O-N 3.15Å; V664-H667 CarbonylContact O-C 3.52Å; V664-H667 WeakPolarHBondContact O-CA 3.48Å; V664-H667 WeakPolarHBondContact O-CB 3.36Å; V664-H667 PolarHBondContact O-N 2.88Å; K665-H667 VanDerWaalsContact C-N 3.29Å; H667-L669 PolarHBondContact O-N 2.86Å; H667-T670 PolarHBondContact ND1-OG1 2.91Å; H667-T670 WeakPolarHBondContact O-CA 3.28Å; H667-T670 WeakPolarHBondContact O-CB 3.48Å; H667-T670 PolarHBondContact O-N 3.27Å; H667-T670 PolarHBondContact O-OG1 2.9Å; H667-H671 AromaticContact CD2-NE2 3.56Å; H667-H671 AromaticContact CE1-CE1 3.62Å; H667-H671 AromaticContact CE1-NE2 3.06Å; H667-H671 PolarHBondContact CE1-NE2 2.84Å; H667-H671 AromaticContact NE2-CE1 3.98Å; H667-H671 AromaticContact NE2-NE2 2.58Å; H667-H671 PolarHBondContact NE2-NE2 2.86Å
668	E	84.1	Confident	75.9	Confident	67 Å²	67	84.4 Å²	84.4	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-56.6	-36.5	170.4	-72.5	168	157	0	0	110.8	V664 K665 T670 H671 V672	V664-E668 HydrophobicContact CG1-CG 3.86Å; V664-E668 VanDerWaalsContact CG1-OE1 3.28Å; V664-E668 WeakPolarHBondContact CG1-OE1 3.38Å; V664-E668 WeakPolarHBondContact O-CG 3.47Å; V664-E668 PolarHBondContact O-N 3.09Å; K665-E668 WeakPolarHBondContact CA-OE2 3.33Å; E668-T670 PolarHBondContact O-N 3.19Å; E668-H671 WeakPolarHBondContact O-CB 3.4Å; E668-H671 PolarHBondContact O-N 3.27Å; E668-V672 PolarHBondContact O-N 3.35Å
669	L	83.9	Confident	74.1	Confident	90 Å²	90	87 Å²	87	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-56.6	-31.5	169.3	-64	174.1	0	0	0	113.6	H667 H671 V672 F673	H667-L669 PolarHBondContact O-N 2.86Å; L669-H671 VanDerWaalsContact C-N 3.25Å; L669-H671 PolarHBondContact O-N 3.08Å; L669-V672 PolarHBondContact O-N 2.82Å; L669-F673 HydrophobicContact CB-CD2 4.31Å; L669-F673 HydrophobicContact CB-CE2 4.12Å; L669-F673 WeakPolarHBondContact O-CD2 3.42Å; L669-F673 PolarHBondContact O-N 3.22Å
670	T	80.5	Confident	72.3	Confident	76 Å²	76	92.6 Å²	92.6	47%	0.466	43%	0.427	S	S	.	.	H	α-helix	trans	-70.9	-20.3	178	66.7	0	0	0	0	113	H667 E668 G674	H667-T670 PolarHBondContact ND1-OG1 2.91Å; H667-T670 WeakPolarHBondContact O-CA 3.28Å; H667-T670 WeakPolarHBondContact O-CB 3.48Å; H667-T670 PolarHBondContact O-N 3.27Å; H667-T670 PolarHBondContact O-OG1 2.9Å; E668-T670 PolarHBondContact O-N 3.19Å; T670-G674 VanDerWaalsContact O-CA 3.31Å; T670-G674 WeakPolarHBondContact O-CA 3.39Å; T670-G674 PolarHBondContact O-N 2.56Å
671	H	79.2	Confident	70.6	Confident	42 Å²	42	93.1 Å²	93.1	19%	0.194	44%	0.436	C	S	.	.	H	α-helix	trans	-76.9	-44.4	168.6	-60.2	-51.6	0	0	0	111.4	C649 E651 C654 H667 E668 L669 F673 G674 R675	C649-H671 PolarHBondContact SG-NE2 2.85Å; E651-H671 VanDerWaalsContact CD-CD2 3.44Å; E651-H671 HydrophobicContact CG-CB 4.33Å; E651-H671 VanDerWaalsContact CG-CD2 3.43Å; E651-H671 WeakPolarHBondContact CG-CD2 3.28Å; E651-H671 WeakPolarHBondContact OE1-CB 3.27Å; E651-H671 IonicContact OE1-CD2 2.9Å; E651-H671 IonicContact OE1-CG 2.74Å; E651-H671 WeakPolarHBondContact OE2-CB 3.42Å; E651-H671 IonicContact OE2-CD2 2.77Å; E651-H671 IonicContact OE2-CG 2.99Å; E651-H671 IonicContact OE2-ND1 2.75Å; C654-H671 WeakPolarHBondContact CB-CE1 3.34Å; C654-H671 WeakPolarHBondContact CB-NE2 3.14Å; C654-H671 PolarHBondContact SG-CE1 3.15Å; C654-H671 PolarHBondContact SG-NE2 3.15Å; H667-H671 AromaticContact CD2-NE2 3.56Å; H667-H671 AromaticContact CE1-CE1 3.62Å; H667-H671 AromaticContact CE1-NE2 3.06Å; H667-H671 PolarHBondContact CE1-NE2 2.84Å; H667-H671 AromaticContact NE2-CE1 3.98Å; H667-H671 AromaticContact NE2-NE2 2.58Å; H667-H671 PolarHBondContact NE2-NE2 2.86Å; E668-H671 WeakPolarHBondContact O-CB 3.4Å; E668-H671 PolarHBondContact O-N 3.27Å; L669-H671 VanDerWaalsContact C-N 3.25Å; L669-H671 PolarHBondContact O-N 3.08Å; H671-F673 VanDerWaalsContact C-N 3.31Å; H671-F673 PolarHBondContact O-N 2.98Å; H671-G674 WeakPolarHBondContact O-CA 3.21Å; H671-G674 PolarHBondContact O-N 2.8Å; H671-R675 WeakPolarHBondContact O-CG 3.31Å; H671-R675 PolarHBondContact O-N 2.89Å
672	V	76.4	Confident	69	Low	79 Å²	79	93.4 Å²	93.4	48%	0.479	45%	0.446	S	S	.	.	H	α-helix	trans	-58.7	-41.9	175.8	-176.9	0	0	0	0	111.6	E668 L669	E668-V672 PolarHBondContact O-N 3.35Å; L669-V672 PolarHBondContact O-N 2.82Å
673	F	69.7	Low	67.2	Low	136 Å²	136	94.1 Å²	94.1	60%	0.596	45%	0.454	S	S	*	.	H	α-helix	trans	-79.3	-24.5	173.4	-62.8	-56	0	0	0	113.6	L669 H671 R677	L669-F673 HydrophobicContact CB-CD2 4.31Å; L669-F673 HydrophobicContact CB-CE2 4.12Å; L669-F673 WeakPolarHBondContact O-CD2 3.42Å; L669-F673 PolarHBondContact O-N 3.22Å; H671-F673 VanDerWaalsContact C-N 3.31Å; H671-F673 PolarHBondContact O-N 2.98Å; F673-R677 PolarHBondContact O-N 3.07Å
674	G	58.7	Low	65	Low	34 Å²	34	98.9 Å²	98.9	35%	0.351	48%	0.477	S	S	.	.	H	α-helix	trans	-70.5	-43.7	177.7	0	0	0	0	0	112.6	T670 H671 K676 R677 A678	T670-G674 VanDerWaalsContact O-CA 3.31Å; T670-G674 WeakPolarHBondContact O-CA 3.39Å; T670-G674 PolarHBondContact O-N 2.56Å; H671-G674 WeakPolarHBondContact O-CA 3.21Å; H671-G674 PolarHBondContact O-N 2.8Å; G674-K676 PolarHBondContact O-N 2.86Å; G674-R677 CarbonylContact O-C 3.6Å; G674-R677 WeakPolarHBondContact O-CA 3.24Å; G674-R677 WeakPolarHBondContact O-CB 3.39Å; G674-R677 PolarHBondContact O-N 3.32Å; G674-A678 PolarHBondContact O-N 3.23Å
675	R	56.1	Low	62.6	Low	139 Å²	139	103.6 Å²	103.6	53%	0.525	51%	0.508	S	S	.	.	H	α-helix	trans	-55.9	-50.3	172.2	-66	171.9	-163.1	-134.9	6.5	110.5	E651 H671 R677 A678 E679	E651-R675 IonicContact OE1-CZ 2.87Å; E651-R675 IonicContact OE1-NH2 3.35Å; E651-R675 PolarHBondContact OE1-NH2 2.89Å; E651-R675 VanDerWaalsContact OE1-NH2 3.09Å; E651-R675 IonicContact OE2-CZ 3.68Å; E651-R675 IonicContact OE2-NE 3.24Å; E651-R675 IonicContact OE2-NH2 2.79Å; E651-R675 PolarHBondContact OE2-NH2 2.97Å; H671-R675 WeakPolarHBondContact O-CG 3.31Å; H671-R675 PolarHBondContact O-N 2.89Å; R675-R677 PolarHBondContact O-N 3.16Å; R675-A678 PolarHBondContact O-N 3.2Å; R675-E679 WeakPolarHBondContact O-CB 3.25Å; R675-E679 VanDerWaalsContact O-CG 3.28Å; R675-E679 WeakPolarHBondContact O-CG 3.25Å; R675-E679 PolarHBondContact O-N 3.08Å
676	K	49.3	Very low	60.3	Low	125 Å²	125	104.9 Å²	104.9	54%	0.543	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	4.2	173	-64.9	-165.2	174	-161.3	0	116.2	G674 E679 R680	G674-K676 PolarHBondContact O-N 2.86Å; K676-E679 VanDerWaalsContact CA-OE2 3.28Å; K676-E679 WeakPolarHBondContact CA-OE2 3.43Å; K676-E679 PolarHBondContact N-OE2 3.49Å; K676-R680 PolarHBondContact O-NE 3.21Å; K676-R680 VanDerWaalsContact O-NE 3.08Å; K676-R680 PolarHBondContact O-NH2 3.16Å
677	R	42.2	Very low	58.2	Low	184 Å²	184	103.1 Å²	103.1	69%	0.694	53%	0.529	S	S	*	.	H	α-helix	trans	-111.5	-42.3	168.8	-163.8	176.1	-163.5	166	5.6	111.2	F673 G674 R675 R680 L681	F673-R677 PolarHBondContact O-N 3.07Å; G674-R677 CarbonylContact O-C 3.6Å; G674-R677 WeakPolarHBondContact O-CA 3.24Å; G674-R677 WeakPolarHBondContact O-CB 3.39Å; G674-R677 PolarHBondContact O-N 3.32Å; R675-R677 PolarHBondContact O-N 3.16Å; R677-R680 PolarHBondContact O-N 2.92Å; R677-L681 HydrophobicContact CG-CD1 4.37Å; R677-L681 WeakPolarHBondContact O-CD1 3.41Å; R677-L681 PolarHBondContact O-N 2.93Å
678	A	52.3	Low	55.7	Low	62 Å²	62	109.2 Å²	109.2	51%	0.512	56%	0.562	S	S	.	*	H	α-helix	trans	-59.6	-48.5	171.8	0	0	0	0	0	111.3	G674 R675 R680 L681 S682	G674-A678 PolarHBondContact O-N 3.23Å; R675-A678 PolarHBondContact O-N 3.2Å; A678-R680 PolarHBondContact O-N 2.81Å; A678-L681 WeakPolarHBondContact O-CA 3.47Å; A678-L681 PolarHBondContact O-N 3.03Å; A678-S682 PolarHBondContact O-N 2.86Å; A678-S682 PolarHBondContact O-OG 3.18Å
679	E	51.1	Low	53.1	Low	100 Å²	100	110.7 Å²	110.7	47%	0.467	59%	0.586	S	S	.	*	H	α-helix	trans	-53.3	-42.6	174.8	-70.5	163.1	162.4	0	0	111.7	R675 K676 L681 S682 Q683	R675-E679 WeakPolarHBondContact O-CB 3.25Å; R675-E679 VanDerWaalsContact O-CG 3.28Å; R675-E679 WeakPolarHBondContact O-CG 3.25Å; R675-E679 PolarHBondContact O-N 3.08Å; K676-E679 VanDerWaalsContact CA-OE2 3.28Å; K676-E679 WeakPolarHBondContact CA-OE2 3.43Å; K676-E679 PolarHBondContact N-OE2 3.49Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.92Å; E679-S682 VanDerWaalsContact CA-OG 3.32Å; E679-S682 WeakPolarHBondContact CA-OG 3.49Å; E679-S682 PolarHBondContact O-N 3.16Å; E679-S682 PolarHBondContact O-OG 2.87Å; E679-Q683 WeakPolarHBondContact O-CB 3.28Å; E679-Q683 WeakPolarHBondContact O-CG 3.46Å; E679-Q683 PolarHBondContact O-N 2.85Å
680	R	49.7	Very low	50.6	Low	163 Å²	163	114.4 Å²	114.4	62%	0.615	61%	0.606	S	S	*	*	H	α-helix	trans	-76.2	-15.1	177.9	-107.7	-175.3	-62.3	-164.3	-2.2	114.8	K676 R677 A678	K676-R680 PolarHBondContact O-NE 3.21Å; K676-R680 VanDerWaalsContact O-NE 3.08Å; K676-R680 PolarHBondContact O-NH2 3.16Å; R677-R680 PolarHBondContact O-N 2.92Å; A678-R680 PolarHBondContact O-N 2.81Å
681	L	52.5	Low	48	Very low	110 Å²	110	115.4 Å²	115.4	58%	0.576	62%	0.617	S	S	*	*	H	α-helix	trans	-87.4	-37.5	170	-97.6	63.6	0	0	0	110.5	R677 A678 E679 Q683 I684	R677-L681 HydrophobicContact CG-CD1 4.37Å; R677-L681 WeakPolarHBondContact O-CD1 3.41Å; R677-L681 PolarHBondContact O-N 2.93Å; A678-L681 WeakPolarHBondContact O-CA 3.47Å; A678-L681 PolarHBondContact O-N 3.03Å; E679-L681 VanDerWaalsContact C-N 3.33Å; E679-L681 PolarHBondContact O-N 2.92Å; L681-Q683 PolarHBondContact O-N 3.43Å; L681-I684 WeakPolarHBondContact O-CB 3.41Å; L681-I684 PolarHBondContact O-N 3.27Å
682	S	53.4	Low	45.4	Very low	98 Å²	98	121.4 Å²	121.4	69%	0.685	65%	0.646	S	S	*	*	H	α-helix	trans	-70.8	-13.5	171.7	51.6	0	0	0	0	114.3	A678 E679	A678-S682 PolarHBondContact O-N 2.86Å; A678-S682 PolarHBondContact O-OG 3.18Å; E679-S682 VanDerWaalsContact CA-OG 3.32Å; E679-S682 WeakPolarHBondContact CA-OG 3.49Å; E679-S682 PolarHBondContact O-N 3.16Å; E679-S682 PolarHBondContact O-OG 2.87Å
683	Q	46.7	Very low	43	Very low	143 Å²	143	124.2 Å²	124.2	67%	0.668	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-3.9	171.8	-76.8	166.9	-6.5	0	0	113.2	E679 L681 P685	E679-Q683 WeakPolarHBondContact O-CB 3.28Å; E679-Q683 WeakPolarHBondContact O-CG 3.46Å; E679-Q683 PolarHBondContact O-N 2.85Å; L681-Q683 PolarHBondContact O-N 3.43Å; Q683-P685 WeakPolarHBondContact O-CD 3.37Å
684	I	41.6	Very low	41.1	Very low	104 Å²	104	127.2 Å²	127.2	53%	0.533	68%	0.68	S	S	.	*	S	Bend	trans	-85.3	120.6	167.8	-58.2	171.4	0	0	0	106.7	L681 N686	L681-I684 WeakPolarHBondContact O-CB 3.41Å; L681-I684 PolarHBondContact O-N 3.27Å; I684-N686 PolarHBondContact O-N 2.68Å
685	P	38.7	Very low	39.4	Very low	104 Å²	104	132.2 Å²	132.2	68%	0.675	70%	0.704	S	S	*	*			trans	-61.8	133.2	174.9	-21.9	34	0	0	0	110.9	Q683 T687	Q683-P685 WeakPolarHBondContact O-CD 3.37Å; P685-T687 PolarHBondContact O-N 3.19Å
686	N	36.1	Very low	37.9	Very low	160 Å²	160	131.1 Å²	131.1	86%	0.856	72%	0.717	S	S	*	*			trans	-73.4	96.6	170.9	-67.6	-48.7	0	0	0	109	I684 D688	I684-N686 PolarHBondContact O-N 2.68Å; N686-D688 PolarHBondContact O-N 2.96Å; N686-D688 VanDerWaalsContact O-N 3.12Å
687	T	35.2	Very low	36.6	Very low	124 Å²	124	134.4 Å²	134.4	76%	0.761	73%	0.732	S	S	*	*			trans	-78.2	90.2	169.6	54.1	0	0	0	0	109.9	P685 A689	P685-T687 PolarHBondContact O-N 3.19Å; T687-A689 PolarHBondContact O-N 3.39Å
688	D	31.6	Very low	35.7	Very low	153 Å²	153	133.3 Å²	133.3	82%	0.818	74%	0.74	S	S	*	*			trans	25.4	73.3	158.5	-57.1	-47.8	0	0	0	117.8	N686 N690	N686-D688 PolarHBondContact O-N 2.96Å; N686-D688 VanDerWaalsContact O-N 3.12Å; D688-N690 PolarHBondContact O-N 2.57Å
689	A	30.7	Very low	34.3	Very low	99 Å²	99	137.4 Å²	137.4	82%	0.818	75%	0.752	S	S	*	*			trans	-87.4	52.3	166	0	0	0	0	0	111.7	T687	T687-A689 PolarHBondContact O-N 3.39Å
690	N	30.8	Very low	32.9	Very low	167 Å²	167	137.8 Å²	137.8	89%	0.893	77%	0.765	S	S	*	*			trans	-140.2	62.4	173.7	-99.6	-11.6	0	0	0	110.3	D688	D688-N690 PolarHBondContact O-N 2.57Å
691	S	26.2	Very low	31.8	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	78%	0.777	S	S	*	*			trans	-142.2	150.4	166.4	-177.7	0	0	0	0	107.8
692	M	23.6	Very low	30.9	Very low	167 Å²	167	137 Å²	137	82%	0.823	78%	0.779	S	S	*	*	S	Bend	trans	66.9	82.7	-169.5	-45.8	-65.7	-180	0	0	114.6
693	T	26.4	Very low	29.4	Very low	139 Å²	139	143.2 Å²	143.2	85%	0.853	79%	0.788	S	S	*	*				171.3	77.2	120	45.5	0	0	0	0	111.7
694	E	29.4	Very low	28.4	Very low	198 Å²	198	144 Å²	144	93%	0.925	80%	0.795	S	S	*	*			trans	-134.3	100.9	149.3	-77.1	-158.8	167.1	0	0	109.1
695	T	23.3	Very low	27.4	Very low	140 Å²	140	146.6 Å²	146.6	86%	0.859	81%	0.811	S	S	*	*			trans	-112.2	85.8	170.5	51.5	0	0	0	0	108.3
696	S	25.4	Very low	26.7	Very low	115 Å²	115	148.9 Å²	148.9	80%	0.804	82%	0.816	S	S	*	*			trans	-105.2	125.6	162.1	-162.1	0	0	0	0	108.8
697	F	21.8	Very low	26.2	Very low	195 Å²	195	149.8 Å²	149.8	86%	0.855	82%	0.815	S	S	*	*			trans	-74.6	143.2	163.4	-76.4	-113.7	0	0	0	108.2
698	D	23.6	Very low	25.6	Very low	160 Å²	160	151 Å²	151	86%	0.856	82%	0.817	S	S	*	*			trans	-150.7	167.5	146.1	-139.3	-30.5	0	0	0	110.8
699	I	23.4	Very low	25.1	Very low	148 Å²	148	150.2 Å²	150.2	76%	0.759	81%	0.813	S	S	*	*			trans	-113.3	144.8	-157.6	-65.5	173.1	0	0	0	112.8
700	S	21.6	Very low	24.9	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	81%	0.811	S	S	*	*			trans	-14.2	128.1	168.6	-47.5	0	0	0	0	119.5
701	D	26.2	Very low	24.4	Very low	162 Å²	162	151.5 Å²	151.5	87%	0.866	81%	0.807	S	S	*	*				-161	161.5	107.9	-134.2	21.7	0	0	0	111.8
702	P	32.4	Very low	24.3	Very low	95 Å²	95	154.7 Å²	154.7	62%	0.617	81%	0.814	S	S	*	*			trans	-112.6	173.7	-167.5	41.8	-35.8	0	0	0	116.5
703	R	23	Very low	24.3	Very low	228 Å²	228	151.7 Å²	151.7	86%	0.86	81%	0.806	S	S	*	*			trans	78.8	104.7	167.3	-62.9	-175.3	163.7	114.3	-1.2	118.4
704	L	24.5	Very low	24	Very low	159 Å²	159	149.5 Å²	149.5	83%	0.832	79%	0.792	S	S	*	*				-153.4	103.7	128.9	-104.4	179.2	0	0	0	109.7
705	D	20.5	Very low	23.8	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	77%	0.772	S	S	*	*			trans	-86.8	113.4	169	-71.9	-69.3	0	0	0	109.7
706	I	25.3	Very low	23.9	Very low	152 Å²	152	141.7 Å²	141.7	78%	0.779	76%	0.762	S	S	*	*			trans	-135.8	135.9	163.9	-62.4	-174.9	0	0	0	108.9
707	Q	24.6	Very low	24.3	Very low	178 Å²	178	140.6 Å²	140.6	83%	0.832	75%	0.752	S	S	*	*			trans	-81.2	137.7	-166	-69	157.1	-97.7	0	0	114.4
708	N	23.9	Very low	24.3	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	75%	0.754	S	S	*	*			trans	14.8	117.3	133	-62.7	-21.5	0	0	0	118.9
709	N	19.8	Very low	24.6	Very low	136 Å²	136	141.4 Å²	141.4	73%	0.727	75%	0.748	S	S	*	*				67.8	116.9	124.8	-145.5	56	0	0	0	120.3
710	P	26.4	Very low	24.4	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	75%	0.753	S	S	*	*			trans	-104.7	119.3	153.7	33.7	-24.5	0	0	0	112
711	E	21	Very low	24.5	Very low	172 Å²	172	142.3 Å²	142.3	80%	0.804	75%	0.751	S	S	*	*			trans	-76.2	141.4	163.1	-66.3	177.2	96.9	0	0	110.6
712	I	24.6	Very low	24.5	Very low	164 Å²	164	144 Å²	144	84%	0.841	75%	0.751	S	S	*	*			trans	-132.7	143.3	159.4	-65.1	-173.3	0	0	0	109.5
713	T	22.5	Very low	24.1	Very low	105 Å²	105	145.1 Å²	145.1	64%	0.644	76%	0.758	S	S	*	*			trans	-107.8	178.3	-150.4	21.3	0	0	0	0	115.8	I738	T713-I738 WeakPolarHBondContact O-CD1 3.43Å
714	T	20.7	Very low	24.1	Very low	93 Å²	93	143.5 Å²	143.5	57%	0.571	76%	0.76	S	S	*	*			trans	-62	142.7	-176.6	48.6	0	0	0	0	118.4
715	T	25.9	Very low	24.3	Very low	80 Å²	80	141.6 Å²	141.6	49%	0.491	76%	0.758	S	S	.	*			trans	-153.9	149.5	141.2	25.3	0	0	0	0	110.5	A737 I738 T739	T715-A737 WeakPolarHBondContact CB-O 3.34Å; T715-A737 PolarHBondContact OG1-O 3.46Å; T715-I738 VanDerWaalsContact N-CG2 3.31Å; T715-I738 CarbonylContact O-C 2.83Å; T715-I738 VanDerWaalsContact O-CA 3.25Å; T715-I738 WeakPolarHBondContact O-CA 3.26Å; T715-I738 VanDerWaalsContact O-CB 3.25Å; T715-I738 WeakPolarHBondContact O-CB 3.44Å; T715-T739 PolarHBondContact O-N 3.02Å
716	S	24	Very low	24.4	Very low	93 Å²	93	142.2 Å²	142.2	65%	0.65	76%	0.757	S	S	*	*			trans	-111.5	-164.6	177.2	-148.8	0	0	0	0	108.4
717	P	34.1	Very low	24.3	Very low	93 Å²	93	143.1 Å²	143.1	60%	0.604	76%	0.758	S	S	*	*			cis	-119.9	-170.3	-49.1	25.3	-4.7	0	0	0	111.2
718	Y	21.9	Very low	24.3	Very low	229 Å²	229	141 Å²	141	90%	0.898	76%	0.758	S	S	*	*			trans	-130.9	136	144.5	-113.5	-88.9	0	0	0	110.6
719	I	29.6	Very low	24.3	Very low	142 Å²	142	145 Å²	145	73%	0.728	76%	0.762	S	S	*	*			trans	-118.9	151.8	174.9	-71.4	178.3	0	0	0	108.6	P721	I719-P721 WeakPolarHBondContact O-CD 3.34Å
720	L	19.9	Very low	24.5	Very low	166 Å²	166	145.2 Å²	145.2	87%	0.869	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-62	122.4	-175.1	-163.4	76.5	0	0	0	112.6
721	P	24.8	Very low	24.4	Very low	110 Å²	110	147.4 Å²	147.4	71%	0.714	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.4	145.9	174.3	-17.5	32.6	0	0	0	113.3	I719	I719-P721 WeakPolarHBondContact O-CD 3.34Å
722	K	25.3	Very low	24.4	Very low	197 Å²	197	146 Å²	146	86%	0.857	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-98.7	143	167.7	-174.1	-178	176.7	-168.9	0	108.6
723	P	23.6	Very low	24.3	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-84.9	132.7	-166.8	31.5	-35.8	0	0	0	114.5
724	E	22.8	Very low	24.2	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	76%	0.761	S	S	*	*			trans	-139.9	159.5	153.2	-74.3	-164.1	172.5	0	0	108.9
725	P	30.3	Very low	24.4	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	77%	0.767	S	S	*	*			trans	-107.6	154.3	-152	38.6	-34.1	0	0	0	116.1
726	M	21.2	Very low	24.5	Very low	173 Å²	173	147.7 Å²	147.7	85%	0.852	78%	0.784	S	S	*	*			trans	-165.9	-175.2	138.8	-111.2	-168.3	86.2	0	0	112.7
727	E	23.9	Very low	24.4	Very low	171 Å²	171	146.1 Å²	146.1	80%	0.799	78%	0.776	S	S	*	*			trans	-75.5	172.6	-160.9	-65.5	176.2	98.8	0	0	117.6
728	T	23.9	Very low	24.1	Very low	133 Å²	133	146 Å²	146	82%	0.816	77%	0.77	S	S	*	*			trans	-72.4	129	179.4	52.6	0	0	0	0	114.7
729	R	24.2	Very low	24.4	Very low	236 Å²	236	139.3 Å²	139.3	89%	0.891	75%	0.753	S	S	*	*				-163.8	172.8	120.7	-119.9	178.5	171.3	122.3	-3.6	114.2
730	N	24.3	Very low	24.3	Very low	140 Å²	140	140.7 Å²	140.7	75%	0.749	75%	0.754	S	S	*	*			trans	-76.4	175.1	-164.4	-54.9	-13.1	0	0	0	115
731	E	23.6	Very low	24.5	Very low	166 Å²	166	140.5 Å²	140.5	78%	0.776	75%	0.753	S	S	*	*			trans	107.8	94.9	149.4	-51	-155	160.3	0	0	120
732	I	21.8	Very low	24.6	Very low	142 Å²	142	146.7 Å²	146.7	73%	0.728	76%	0.762	S	S	*	*				68.7	118.2	116.4	-63.8	160.3	0	0	0	120
733	S	21.3	Very low	24.6	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	76%	0.758	S	S	*	*			trans	95.2	118.5	142.4	-80.9	0	0	0	0	124.4
734	I	22	Very low	24.6	Very low	166 Å²	166	145.3 Å²	145.3	85%	0.851	76%	0.764	S	S	*	*			trans	92	140.6	131.3	-66	167.3	0	0	0	119.5
735	A	23.9	Very low	24.8	Very low	85 Å²	85	141.1 Å²	141.1	70%	0.702	75%	0.753	S	S	*	*			trans	-91.8	171.8	-175.4	0	0	0	0	0	112.5
736	P	28	Very low	24.6	Very low	130 Å²	130	140.6 Å²	140.6	84%	0.844	76%	0.759	S	S	*	*				-146.6	-164.6	70.3	32.4	-9	0	0	0	113.7
737	A	23.1	Very low	25.1	Very low	59 Å²	59	139.3 Å²	139.3	49%	0.488	75%	0.754	S	S	.	*				-167.5	176.1	-54.2	0	0	0	0	0	111.5	T715	T715-A737 WeakPolarHBondContact CB-O 3.34Å; T715-A737 PolarHBondContact OG1-O 3.46Å
738	I	27.5	Very low	25.2	Very low	92 Å²	92	135.1 Å²	135.1	47%	0.472	75%	0.748	S	S	.	*			trans	106.6	-176.1	158.7	-51.9	153.2	0	0	0	115.7	T713 T715	T713-I738 WeakPolarHBondContact O-CD1 3.43Å; T715-I738 VanDerWaalsContact N-CG2 3.31Å; T715-I738 CarbonylContact O-C 2.83Å; T715-I738 VanDerWaalsContact O-CA 3.25Å; T715-I738 WeakPolarHBondContact O-CA 3.26Å; T715-I738 VanDerWaalsContact O-CB 3.25Å; T715-I738 WeakPolarHBondContact O-CB 3.44Å
739	T	28.3	Very low	25.7	Very low	87 Å²	87	134.9 Å²	134.9	53%	0.534	75%	0.749	S	S	.	*			trans	-127.4	147.7	-135.1	54.7	0	0	0	0	117.4	T715	T715-T739 PolarHBondContact O-N 3.02Å
740	K	26.8	Very low	26	Very low	172 Å²	172	133 Å²	133	75%	0.748	75%	0.747	S	S	*	*				164.5	128.4	114.9	-88.1	174.1	-175.9	178.2	0	114.3
741	N	23.9	Very low	26.3	Very low	161 Å²	161	131.8 Å²	131.8	86%	0.861	75%	0.75	S	S	*	*			trans	44.7	103	152.7	-59	1	0	0	0	122
742	R	26.1	Very low	26.9	Very low	240 Å²	240	129.1 Å²	129.1	91%	0.906	75%	0.75	S	S	*	*			trans	-147.4	150.9	143.8	-159.3	163.7	-158.5	-89.4	-1.2	110.5
743	P	25.6	Very low	27.4	Very low	117 Å²	117	128.5 Å²	128.5	76%	0.76	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.5	162.2	-170.4	-26.2	37.2	0	0	0	117.1
744	L	24.2	Very low	28	Very low	171 Å²	171	129 Å²	129	90%	0.895	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68.4	142.3	177	-69.7	166.7	0	0	0	112.6
745	P	27	Very low	28.4	Very low	106 Å²	106	128.5 Å²	128.5	69%	0.688	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-86.6	164.3	-177.5	35.6	-36.7	0	0	0	113.7	I747	P745-I747 PolarHBondContact O-N 3.23Å
746	A	26	Very low	28.8	Very low	107 Å²	107	130.1 Å²	130.1	88%	0.884	76%	0.757	S	S	*	*			trans	-69.9	111.6	173	0	0	0	0	0	111.4
747	I	31.2	Very low	28.8	Very low	147 Å²	147	132.8 Å²	132.8	75%	0.754	76%	0.76	S	S	*	*			trans	-85.1	115.8	168.9	-63.3	173.9	0	0	0	107.9	P745	P745-I747 PolarHBondContact O-N 3.23Å
748	A	26.3	Very low	29.2	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-60.2	131	171.4	0	0	0	0	0	109.8	K750	A748-K750 PolarHBondContact O-N 2.83Å; A748-K750 VanDerWaalsContact O-N 3.14Å
749	P	34.2	Very low	29.4	Very low	129 Å²	129	142.1 Å²	142.1	84%	0.838	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.3	117.1	-175.3	25.8	-33.4	0	0	0	110.4
750	K	31.7	Very low	29.7	Very low	195 Å²	195	145.2 Å²	145.2	85%	0.848	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-60.4	143.7	171.5	-66.8	180	179.3	179	0	109.5	A748 S752	A748-K750 PolarHBondContact O-N 2.83Å; A748-K750 VanDerWaalsContact O-N 3.14Å; K750-S752 PolarHBondContact O-N 3.3Å
751	S	29.6	Very low	29.9	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	80%	0.8	S	S	*	*			trans	-51.5	109	-171.3	38.1	0	0	0	0	113.7	V753	S751-V753 PolarHBondContact O-N 2.57Å
752	S	35.9	Very low	30.8	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	80%	0.795	S	S	*	*			trans	-70.8	113.5	161.5	40.1	0	0	0	0	108.8	K750 S754	K750-S752 PolarHBondContact O-N 3.3Å; S752-S754 PolarHBondContact O-N 3.22Å; S752-S754 VanDerWaalsContact O-N 3.11Å
753	V	33.2	Very low	31.5	Very low	128 Å²	128	133.8 Å²	133.8	78%	0.776	78%	0.781	S	S	*	*			trans	-60.2	115.7	175.1	175.3	0	0	0	0	109	S751 L755	S751-V753 PolarHBondContact O-N 2.57Å; V753-L755 PolarHBondContact O-N 2.83Å
754	S	33.9	Very low	32.1	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	78%	0.784	S	S	*	*			trans	-64.4	105.3	177.5	-66.9	0	0	0	0	110.7	S752 P756	S752-S754 PolarHBondContact O-N 3.22Å; S752-S754 VanDerWaalsContact O-N 3.11Å; S754-P756 WeakPolarHBondContact O-CD 3.45Å
755	L	31	Very low	32.7	Very low	157 Å²	157	127.7 Å²	127.7	82%	0.822	76%	0.763	S	S	*	*			trans	-61.2	123.1	170.6	-70.4	174.7	0	0	0	109.2	V753 M757	V753-L755 PolarHBondContact O-N 2.83Å; L755-M757 PolarHBondContact O-N 2.58Å
756	P	32.1	Very low	33.2	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	77%	0.766	S	S	*	*			trans	-63	126.3	-172.6	-25.8	34.9	0	0	0	113	S754 R758	S754-P756 WeakPolarHBondContact O-CD 3.45Å; P756-R758 PolarHBondContact O-N 3.01Å
757	M	27.1	Very low	34.3	Very low	186 Å²	186	131.3 Å²	131.3	92%	0.916	77%	0.77	S	S	*	*			trans	-62	105.8	168.1	-79.2	-70.8	177.1	0	0	109.4	L755	L755-M757 PolarHBondContact O-N 2.58Å
758	R	32.1	Very low	35.6	Very low	229 Å²	229	128 Å²	128	86%	0.864	77%	0.772	S	S	*	*			trans	-63.2	129.4	174.5	-70.9	-170	176.7	-147.8	-0.6	109.4	P756 I760	P756-R758 PolarHBondContact O-N 3.01Å; R758-I760 PolarHBondContact O-N 3.06Å
759	P	31.7	Very low	37.4	Very low	118 Å²	118	130.5 Å²	130.5	77%	0.766	77%	0.771	S	S	*	*			trans	-53.1	136.2	178.7	-28.9	35.8	0	0	0	112.4	S761	P759-S761 PolarHBondContact O-N 3.04Å
760	I	35.1	Very low	39.1	Very low	153 Å²	153	135.3 Å²	135.3	79%	0.785	77%	0.772	S	S	*	*			trans	-73.5	92.8	179.6	-58	175.5	0	0	0	108.6	R758 I763	R758-I760 PolarHBondContact O-N 3.06Å; I760-I763 HydrophobicContact CG2-CD1 4.22Å; I760-I763 HydrophobicContact CG2-CG1 4.35Å
761	S	29.6	Very low	41.5	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	75%	0.753	S	S	*	*			trans	-53	139.8	175.1	-57.8	0	0	0	0	111.1	P759 I763	P759-S761 PolarHBondContact O-N 3.04Å; S761-I763 WeakPolarHBondContact O-CG1 3.5Å; S761-I763 PolarHBondContact O-N 2.6Å
762	P	43	Very low	44	Very low	117 Å²	117	130.2 Å²	130.2	76%	0.76	74%	0.742	S	S	*	*			trans	-56.9	104.9	-171	-28.4	36.2	0	0	0	113.6	S764	P762-S764 PolarHBondContact O-N 2.78Å
763	I	40.8	Very low	46.5	Very low	122 Å²	122	127.7 Å²	127.7	63%	0.626	72%	0.717	S	S	*	*			trans	-71.2	101.1	-170.2	-57	-177.3	0	0	0	111.3	I760 S761	I760-I763 HydrophobicContact CG2-CD1 4.22Å; I760-I763 HydrophobicContact CG2-CG1 4.35Å; S761-I763 WeakPolarHBondContact O-CG1 3.5Å; S761-I763 PolarHBondContact O-N 2.6Å
764	S	38.6	Very low	49.1	Very low	117 Å²	117	127 Å²	127	82%	0.818	71%	0.708	S	S	*	*			trans	34.2	105	148.6	-166.1	0	0	0	0	117.6	P762	P762-S764 PolarHBondContact O-N 2.78Å
765	G	35.8	Very low	51.8	Low	43 Å²	43	122 Å²	122	44%	0.443	67%	0.674	S	S	.	*	S	Bend	trans	-157.6	80.3	168.8	0	0	0	0	0	112.2
766	N	38.8	Very low	54.4	Low	143 Å²	143	118.8 Å²	118.8	77%	0.765	66%	0.662	S	S	*	*			trans	55.8	121.7	-176.3	-80.1	22	0	0	0	115.9	G768	N766-G768 PolarHBondContact O-N 3.25Å
767	P	49.5	Very low	57	Low	147 Å²	147	117.1 Å²	117.1	96%	0.955	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-14.7	-175.6	-28.8	36.2	0	0	0	118
768	G	58	Low	59.6	Low	77 Å²	77	118.2 Å²	118.2	79%	0.794	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-8.8	-173.4	0	0	0	0	0	116.9	N766	N766-G768 PolarHBondContact O-N 3.25Å
769	M	63	Low	62	Low	135 Å²	135	116.8 Å²	116.8	67%	0.665	65%	0.645	S	S	*	*			trans	-105.7	104.4	-178.4	-81.1	-161.3	160.4	0	0	113.1	P785	M769-P785 HydrophobicContact SD-CG 4.34Å
770	R	71.3	Confident	64.5	Low	230 Å²	230	111.9 Å²	111.9	87%	0.868	61%	0.614	S	S	*	*			trans	-56	145.7	162	-69	-172.8	176.5	-165.2	0.1	110.1
771	R	80.7	Confident	66.9	Low	116 Å²	116	107.1 Å²	107.1	44%	0.438	60%	0.602	S	S	.	*			trans	-132.4	68	-178.3	-68.7	169.8	176.9	-113.7	7.7	110.2	H773 A783 F784 P785	R771-H773 VanDerWaalsContact C-N 3.28Å; R771-H773 PolarHBondContact O-N 2.62Å; R771-A783 HydrophobicContact CB-CB 3.77Å; R771-A783 WeakPolarHBondContact CD-O 3.34Å; R771-A783 PolarHBondContact NH1-O 2.92Å; R771-F784 CarbonylContact C-O 3.42Å; R771-F784 WeakPolarHBondContact CA-O 3.45Å; R771-P785 HydrophobicContact CG-CG 4.16Å
772	P	82.4	Confident	69.7	Low	88 Å²	88	107.7 Å²	107.7	57%	0.571	59%	0.593	S	S	*	*			trans	-67.6	-27.4	-171.8	26.5	-33.4	0	0	0	113.2	I774	P772-I774 PolarHBondContact O-N 3.26Å; P772-I774 VanDerWaalsContact O-N 3.15Å
773	H	89	Confident	71.9	Confident	57 Å²	57	103 Å²	103	26%	0.264	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.9	90.3	-174.5	-48.1	-74.3	0	0	0	110.9	R771 A783 F784 K786 L787 L790	R771-H773 VanDerWaalsContact C-N 3.28Å; R771-H773 PolarHBondContact O-N 2.62Å; H773-A783 WeakPolarHBondContact O-CA 3.06Å; H773-F784 HydrophobicContact CB-CB 4.45Å; H773-F784 PolarHBondContact CD2-O 3.48Å; H773-F784 PolarHBondContact N-O 3.22Å; H773-F784 PolarHBondContact O-N 3.08Å; H773-K786 VanDerWaalsContact CD2-CA 3.43Å; H773-K786 WeakPolarHBondContact CD2-CA 3.2Å; H773-L787 PolarHBondContact CD2-N 3.17Å; H773-L787 PolarHBondContact NE2-N 3.27Å; H773-L787 VanDerWaalsContact NE2-N 3.17Å; H773-L790 HydrophobicContact CB-CB 3.91Å; H773-L790 HydrophobicContact CB-CD2 3.81Å; H773-L790 HydrophobicContact CB-CG 4.5Å
774	I	87.6	Confident	74.2	Confident	112 Å²	112	99 Å²	99	57%	0.574	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	142.8	176.6	-54	177.2	0	0	0	109.9	P772 A783 L790	P772-I774 PolarHBondContact O-N 3.26Å; P772-I774 VanDerWaalsContact O-N 3.15Å; I774-A783 HydrophobicContact CG1-CB 4.04Å; I774-L790 VanDerWaalsContact O-CD2 3.32Å; I774-L790 WeakPolarHBondContact O-CD2 3.43Å
775	C	90.9	Very high	76.6	Confident	5 Å²	5	96 Å²	96	3%	0.034	52%	0.52	C	S	.	.			trans	-72.6	126.1	174.8	-166.8	0	0	0	0	111.3	F777 C780 K782 L790 H793 H797	C775-F777 VanDerWaalsContact C-N 3.25Å; C775-F777 PolarHBondContact O-N 3.26Å; C775-C780 HydrophobicContact CB-CB 4.4Å; C775-K782 VanDerWaalsContact CB-O 3.28Å; C775-K782 WeakPolarHBondContact CB-O 3.3Å; C775-K782 PolarHBondContact N-O 3.02Å; C775-L790 HydrophobicContact CB-CD1 3.91Å; C775-H793 VanDerWaalsContact SG-CD2 3.56Å; C775-H793 PolarHBondContact SG-NE2 3.44Å; C775-H797 VanDerWaalsContact SG-CD2 3.59Å; C775-H797 PolarHBondContact SG-NE2 2.89Å
776	P	86	Confident	79.1	Confident	89 Å²	89	101.2 Å²	101.2	58%	0.578	53%	0.531	S	S	*	.	S	Bend	trans	-67.4	-25	-174.8	26.1	-34.7	0	0	0	113.3	K778 I794	P776-K778 PolarHBondContact O-N 3.37Å; P776-I794 HydrophobicContact CG-CD1 4.5Å
777	F	86.9	Confident	81.5	Confident	82 Å²	82	98 Å²	98	36%	0.36	51%	0.513	S	S	.	.	S	Bend	trans	-63.5	105.6	174.4	-66.3	-89.8	0	0	0	110.4	C775 E779 C780 I794 H797 T798	C775-F777 VanDerWaalsContact C-N 3.25Å; C775-F777 PolarHBondContact O-N 3.26Å; F777-E779 VanDerWaalsContact C-N 3.3Å; F777-E779 PolarHBondContact O-N 2.84Å; F777-C780 HydrophobicContact CB-CB 4.09Å; F777-C780 WeakPolarHBondContact O-CA 3.4Å; F777-C780 WeakPolarHBondContact O-CB 3.41Å; F777-C780 PolarHBondContact O-N 3.46Å; F777-I794 HydrophobicContact CE2-CG2 4.36Å; F777-H797 HydrophobicContact CD1-CB 3.97Å; F777-H797 HydrophobicContact CD2-CB 3.76Å; F777-H797 AromaticContact CD2-CD2 3.28Å; F777-H797 WeakPolarHBondContact CD2-CD2 3.45Å; F777-H797 AromaticContact CD2-CG 3.67Å; F777-H797 HydrophobicContact CE1-CB 3.78Å; F777-H797 HydrophobicContact CE2-CB 3.55Å; F777-H797 AromaticContact CE2-CD2 3.86Å; F777-H797 AromaticContact CE2-CG 4Å; F777-H797 HydrophobicContact CG-CB 3.97Å; F777-H797 AromaticContact CG-CD2 3.63Å; F777-H797 AromaticContact CG-CG 3.75Å; F777-H797 HydrophobicContact CZ-CB 3.56Å; F777-T798 HydrophobicContact CZ-CG2 4.23Å
778	K	79.9	Confident	83.3	Confident	209 Å²	209	96.3 Å²	96.3	91%	0.909	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-41.8	-172.3	-66.9	178.5	-179	172.3	0	113.4	P776 C780	P776-K778 PolarHBondContact O-N 3.37Å; K778-C780 PolarHBondContact O-N 2.99Å; K778-C780 VanDerWaalsContact O-N 3.16Å
779	E	82.8	Confident	84.8	Confident	199 Å²	199	97 Å²	97	93%	0.93	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.5	176.6	-57.4	-167.2	152	0	0	113.9	F777	F777-E779 VanDerWaalsContact C-N 3.3Å; F777-E779 PolarHBondContact O-N 2.84Å
780	C	84.9	Confident	86	Confident	15 Å²	15	91.2 Å²	91.2	10%	0.101	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-44.9	-170.9	-152.3	0	0	0	0	113.5	C775 F777 K778 K782 H793 H797	C775-C780 HydrophobicContact CB-CB 4.4Å; F777-C780 HydrophobicContact CB-CB 4.09Å; F777-C780 WeakPolarHBondContact O-CA 3.4Å; F777-C780 WeakPolarHBondContact O-CB 3.41Å; F777-C780 PolarHBondContact O-N 3.46Å; K778-C780 PolarHBondContact O-N 2.99Å; K778-C780 VanDerWaalsContact O-N 3.16Å; C780-K782 WeakPolarHBondContact O-CG 2.75Å; C780-K782 PolarHBondContact O-N 3.43Å; C780-K782 PolarHBondContact SG-NZ 3.04Å; C780-H793 VanDerWaalsContact SG-CE1 3.5Å; C780-H793 PolarHBondContact SG-NE2 3.06Å; C780-H797 WeakPolarHBondContact CB-CE1 3.17Å; C780-H797 WeakPolarHBondContact CB-NE2 3.46Å; C780-H797 PolarHBondContact SG-CE1 3.41Å; C780-H797 PolarHBondContact SG-NE2 3.21Å
781	G	84.6	Confident	86.8	Confident	53 Å²	53	88.1 Å²	88.1	55%	0.546	44%	0.437	S	S	.	.			trans	57.7	10.7	179	0	0	0	0	0	116.6
782	K	89.9	Confident	87.2	Confident	106 Å²	106	85.1 Å²	85.1	46%	0.461	43%	0.428	S	S	.	.			trans	-83.5	124.9	-172.9	-70.1	177.4	-168.9	87.8	0	111.3	C775 C780 F784	C775-K782 VanDerWaalsContact CB-O 3.28Å; C775-K782 WeakPolarHBondContact CB-O 3.3Å; C775-K782 PolarHBondContact N-O 3.02Å; C780-K782 WeakPolarHBondContact O-CG 2.75Å; C780-K782 PolarHBondContact O-N 3.43Å; C780-K782 PolarHBondContact SG-NZ 3.04Å; K782-F784 HydrophobicContact CB-CE2 3.56Å; K782-F784 HydrophobicContact CB-CZ 3.88Å; K782-F784 WeakPolarHBondContact O-CE2 3.35Å
783	A	87.6	Confident	87.4	Confident	17 Å²	17	81.1 Å²	81.1	14%	0.14	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.8	178	0	0	0	0	0	112.9	R771 H773 I774	R771-A783 HydrophobicContact CB-CB 3.77Å; R771-A783 WeakPolarHBondContact CD-O 3.34Å; R771-A783 PolarHBondContact NH1-O 2.92Å; H773-A783 WeakPolarHBondContact O-CA 3.06Å; I774-A783 HydrophobicContact CG1-CB 4.04Å
784	F	89.5	Confident	87.4	Confident	38 Å²	38	80.4 Å²	80.4	17%	0.167	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.7	-169.7	-63.6	-94.2	0	0	0	112.4	R771 H773 K782 K786 K789 L790 H793	R771-F784 CarbonylContact C-O 3.42Å; R771-F784 WeakPolarHBondContact CA-O 3.45Å; H773-F784 HydrophobicContact CB-CB 4.45Å; H773-F784 PolarHBondContact CD2-O 3.48Å; H773-F784 PolarHBondContact N-O 3.22Å; H773-F784 PolarHBondContact O-N 3.08Å; K782-F784 HydrophobicContact CB-CE2 3.56Å; K782-F784 HydrophobicContact CB-CZ 3.88Å; K782-F784 WeakPolarHBondContact O-CE2 3.35Å; F784-K786 VanDerWaalsContact C-N 3.34Å; F784-K786 PolarHBondContact O-N 2.82Å; F784-K789 HydrophobicContact CB-CB 4.35Å; F784-K789 HydrophobicContact CD1-CB 3.97Å; F784-K789 VanDerWaalsContact CD1-O 3.31Å; F784-K789 WeakPolarHBondContact CD1-O 3.39Å; F784-K789 HydrophobicContact CG-CB 4.48Å; F784-L790 HydrophobicContact CB-CB 4.39Å; F784-L790 HydrophobicContact CD2-CB 4.24Å; F784-L790 HydrophobicContact CD2-CD1 4.22Å; F784-L790 HydrophobicContact CG-CB 4.45Å; F784-H793 HydrophobicContact CE1-CB 4.13Å; F784-H793 HydrophobicContact CE2-CB 4.05Å; F784-H793 AromaticContact CE2-CD2 3.2Å; F784-H793 WeakPolarHBondContact CE2-CD2 3.28Å; F784-H793 AromaticContact CE2-CG 3.85Å; F784-H793 HydrophobicContact CZ-CB 3.65Å; F784-H793 AromaticContact CZ-CD2 3.3Å; F784-H793 WeakPolarHBondContact CZ-CD2 3.31Å; F784-H793 AromaticContact CZ-CG 3.52Å
785	P	89	Confident	87.4	Confident	55 Å²	55	76 Å²	76	36%	0.357	38%	0.378	S	S	.	.	S	Bend	trans	-73.5	-13.7	176.9	-19.7	32.9	0	0	0	116	M769 R771	M769-P785 HydrophobicContact SD-CG 4.34Å; R771-P785 HydrophobicContact CG-CG 4.16Å
786	K	89.7	Confident	87	Confident	153 Å²	153	83.8 Å²	83.8	67%	0.665	41%	0.407	S	S	*	.	S	Bend	trans	-143.7	140.6	179.5	-64.4	-161.8	175	-156.5	0	111.4	H773 F784 N788 K789 L790	H773-K786 VanDerWaalsContact CD2-CA 3.43Å; H773-K786 WeakPolarHBondContact CD2-CA 3.2Å; F784-K786 VanDerWaalsContact C-N 3.34Å; F784-K786 PolarHBondContact O-N 2.82Å; K786-N788 VanDerWaalsContact C-N 3.3Å; K786-N788 PolarHBondContact O-N 3.1Å; K786-K789 WeakPolarHBondContact O-CA 3.3Å; K786-K789 WeakPolarHBondContact O-CB 3.17Å; K786-K789 PolarHBondContact O-N 2.97Å; K786-L790 PolarHBondContact O-N 3.38Å
787	L	88.2	Confident	87	Confident	74 Å²	74	83.2 Å²	83.2	39%	0.387	40%	0.397	S	S	.	.	H	α-helix	trans	-53.9	-43.1	-178.3	-177.4	59	0	0	0	112.6	H773 K789 L790 R791	H773-L787 PolarHBondContact CD2-N 3.17Å; H773-L787 PolarHBondContact NE2-N 3.27Å; H773-L787 VanDerWaalsContact NE2-N 3.17Å; L787-K789 PolarHBondContact O-N 2.97Å; L787-K789 VanDerWaalsContact O-N 3.09Å; L787-L790 HydrophobicContact CD1-CD2 4.34Å; L787-L790 CarbonylContact O-C 3.6Å; L787-L790 WeakPolarHBondContact O-CA 3.41Å; L787-L790 WeakPolarHBondContact O-CB 3.47Å; L787-L790 PolarHBondContact O-N 2.95Å; L787-R791 PolarHBondContact O-N 2.89Å
788	N	87.2	Confident	86.9	Confident	113 Å²	113	82.5 Å²	82.5	60%	0.604	40%	0.399	S	S	*	.	H	α-helix	trans	-62	-22.8	179.2	-61.1	2.1	0	0	0	112.8	K786 E792	K786-N788 VanDerWaalsContact C-N 3.3Å; K786-N788 PolarHBondContact O-N 3.1Å; N788-E792 WeakPolarHBondContact O-CB 3.22Å; N788-E792 WeakPolarHBondContact O-CG 3.25Å; N788-E792 PolarHBondContact O-N 3.41Å
789	K	89.4	Confident	87.1	Confident	90 Å²	90	74.8 Å²	74.8	39%	0.391	38%	0.378	S	S	.	.	H	α-helix	trans	-87.9	-19.1	173.6	-59.8	-48.8	-174.7	-171.9	0	113.7	F784 K786 L787 E792 H793	F784-K789 HydrophobicContact CB-CB 4.35Å; F784-K789 HydrophobicContact CD1-CB 3.97Å; F784-K789 VanDerWaalsContact CD1-O 3.31Å; F784-K789 WeakPolarHBondContact CD1-O 3.39Å; F784-K789 HydrophobicContact CG-CB 4.48Å; K786-K789 WeakPolarHBondContact O-CA 3.3Å; K786-K789 WeakPolarHBondContact O-CB 3.17Å; K786-K789 PolarHBondContact O-N 2.97Å; L787-K789 PolarHBondContact O-N 2.97Å; L787-K789 VanDerWaalsContact O-N 3.09Å; K789-E792 VanDerWaalsContact CD-OE2 3.26Å; K789-E792 WeakPolarHBondContact CD-OE2 3.18Å; K789-E792 IonicContact NZ-OE1 2.62Å; K789-E792 PolarHBondContact NZ-OE1 3.45Å; K789-E792 IonicContact NZ-OE2 3.48Å; K789-E792 PolarHBondContact NZ-OE2 2.79Å; K789-H793 WeakPolarHBondContact O-CB 3.35Å; K789-H793 PolarHBondContact O-N 3.26Å
790	L	89.2	Confident	87.3	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-73.6	-47.4	161.3	171.9	58.9	0	0	0	110.6	H773 I774 C775 F784 K786 L787 E792 H793 I794	H773-L790 HydrophobicContact CB-CB 3.91Å; H773-L790 HydrophobicContact CB-CD2 3.81Å; H773-L790 HydrophobicContact CB-CG 4.5Å; I774-L790 VanDerWaalsContact O-CD2 3.32Å; I774-L790 WeakPolarHBondContact O-CD2 3.43Å; C775-L790 HydrophobicContact CB-CD1 3.91Å; F784-L790 HydrophobicContact CB-CB 4.39Å; F784-L790 HydrophobicContact CD2-CB 4.24Å; F784-L790 HydrophobicContact CD2-CD1 4.22Å; F784-L790 HydrophobicContact CG-CB 4.45Å; K786-L790 PolarHBondContact O-N 3.38Å; L787-L790 HydrophobicContact CD1-CD2 4.34Å; L787-L790 CarbonylContact O-C 3.6Å; L787-L790 WeakPolarHBondContact O-CA 3.41Å; L787-L790 WeakPolarHBondContact O-CB 3.47Å; L787-L790 PolarHBondContact O-N 2.95Å; L790-E792 PolarHBondContact O-N 3.34Å; L790-H793 CarbonylContact O-C 3.57Å; L790-H793 WeakPolarHBondContact O-CA 3.48Å; L790-H793 WeakPolarHBondContact O-CB 3.49Å; L790-H793 PolarHBondContact O-N 3.17Å; L790-I794 HydrophobicContact CD1-CD1 3.88Å; L790-I794 HydrophobicContact CD1-CG1 3.85Å; L790-I794 HydrophobicContact CD2-CD1 4.38Å; L790-I794 HydrophobicContact CG-CD1 3.79Å; L790-I794 HydrophobicContact CG-CG1 4.25Å; L790-I794 WeakPolarHBondContact O-CG1 3.46Å; L790-I794 PolarHBondContact O-N 2.82Å
791	R	88.5	Confident	87.3	Confident	165 Å²	165	73.3 Å²	73.3	62%	0.623	37%	0.367	S	S	*	.	H	α-helix	trans	-56.7	-50.4	175.3	-67.7	-170.6	179.2	-163.7	1.4	111.7	L787 H793 I794 C795	L787-R791 PolarHBondContact O-N 2.89Å; R791-H793 PolarHBondContact O-N 3.34Å; R791-I794 PolarHBondContact O-N 3.43Å; R791-I794 VanDerWaalsContact O-N 3.1Å; R791-C795 PolarHBondContact O-N 2.97Å; R791-C795 PolarHBondContact O-SG 2.68Å; R791-C795 VanDerWaalsContact O-SG 3.34Å
792	E	87.8	Confident	87.3	Confident	53 Å²	53	74.9 Å²	74.9	25%	0.248	37%	0.368	C	S	.	.	H	α-helix	trans	-56.7	-16	171.1	-81.1	-179.7	-160.1	0	0	114.9	N788 K789 L790 R814	N788-E792 WeakPolarHBondContact O-CB 3.22Å; N788-E792 WeakPolarHBondContact O-CG 3.25Å; N788-E792 PolarHBondContact O-N 3.41Å; K789-E792 VanDerWaalsContact CD-OE2 3.26Å; K789-E792 WeakPolarHBondContact CD-OE2 3.18Å; K789-E792 IonicContact NZ-OE1 2.62Å; K789-E792 PolarHBondContact NZ-OE1 3.45Å; K789-E792 IonicContact NZ-OE2 3.48Å; K789-E792 PolarHBondContact NZ-OE2 2.79Å; L790-E792 PolarHBondContact O-N 3.34Å; E792-R814 VanDerWaalsContact CD-CD 3.41Å; E792-R814 HydrophobicContact CG-CG 3.99Å; E792-R814 WeakPolarHBondContact OE2-CD 3.18Å
793	H	87.8	Confident	87.3	Confident	5 Å²	5	73 Å²	73	2%	0.023	36%	0.36	C	S	.	.	H	α-helix	trans	-96.4	-38.4	174.4	173.7	27.1	0	0	0	113	C775 C780 F784 K789 L790 R791 C795 R796 H797	C775-H793 VanDerWaalsContact SG-CD2 3.56Å; C775-H793 PolarHBondContact SG-NE2 3.44Å; C780-H793 VanDerWaalsContact SG-CE1 3.5Å; C780-H793 PolarHBondContact SG-NE2 3.06Å; F784-H793 HydrophobicContact CE1-CB 4.13Å; F784-H793 HydrophobicContact CE2-CB 4.05Å; F784-H793 AromaticContact CE2-CD2 3.2Å; F784-H793 WeakPolarHBondContact CE2-CD2 3.28Å; F784-H793 AromaticContact CE2-CG 3.85Å; F784-H793 HydrophobicContact CZ-CB 3.65Å; F784-H793 AromaticContact CZ-CD2 3.3Å; F784-H793 WeakPolarHBondContact CZ-CD2 3.31Å; F784-H793 AromaticContact CZ-CG 3.52Å; K789-H793 WeakPolarHBondContact O-CB 3.35Å; K789-H793 PolarHBondContact O-N 3.26Å; L790-H793 CarbonylContact O-C 3.57Å; L790-H793 WeakPolarHBondContact O-CA 3.48Å; L790-H793 WeakPolarHBondContact O-CB 3.49Å; L790-H793 PolarHBondContact O-N 3.17Å; R791-H793 PolarHBondContact O-N 3.34Å; H793-C795 PolarHBondContact O-N 2.95Å; H793-R796 PolarHBondContact ND1-NH1 3.11Å; H793-R796 VanDerWaalsContact O-CB 3.28Å; H793-R796 WeakPolarHBondContact O-CB 3.03Å; H793-R796 PolarHBondContact O-N 3.4Å; H793-H797 AromaticContact CD2-NE2 3.95Å; H793-H797 AromaticContact CE1-CD2 3.76Å; H793-H797 AromaticContact CE1-NE2 3.09Å; H793-H797 PolarHBondContact CE1-NE2 2.69Å; H793-H797 AromaticContact NE2-NE2 2.88Å; H793-H797 PolarHBondContact NE2-NE2 3.1Å
794	I	87.6	Confident	87.4	Confident	42 Å²	42	75.1 Å²	75.1	22%	0.215	37%	0.37	C	S	.	.	H	α-helix	trans	-55.5	-38.7	177.9	-74.1	168.7	0	0	0	110.4	P776 F777 L790 R791 R796 H797 T798	P776-I794 HydrophobicContact CG-CD1 4.5Å; F777-I794 HydrophobicContact CE2-CG2 4.36Å; L790-I794 HydrophobicContact CD1-CD1 3.88Å; L790-I794 HydrophobicContact CD1-CG1 3.85Å; L790-I794 HydrophobicContact CD2-CD1 4.38Å; L790-I794 HydrophobicContact CG-CD1 3.79Å; L790-I794 HydrophobicContact CG-CG1 4.25Å; L790-I794 WeakPolarHBondContact O-CG1 3.46Å; L790-I794 PolarHBondContact O-N 2.82Å; R791-I794 PolarHBondContact O-N 3.43Å; R791-I794 VanDerWaalsContact O-N 3.1Å; I794-R796 PolarHBondContact O-N 3.42Å; I794-H797 WeakPolarHBondContact O-CA 3.38Å; I794-H797 WeakPolarHBondContact O-CB 3.46Å; I794-H797 PolarHBondContact O-N 2.44Å; I794-T798 HydrophobicContact CG2-CG2 3.83Å; I794-T798 PolarHBondContact O-N 3Å; I794-T798 VanDerWaalsContact O-N 3.08Å; I794-T798 PolarHBondContact O-OG1 2.79Å
795	C	87.8	Confident	87.4	Confident	20 Å²	20	73.7 Å²	73.7	14%	0.135	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-6	170.6	-55.1	0	0	0	0	116	R791 H793 T798 E800 V813	R791-C795 PolarHBondContact O-N 2.97Å; R791-C795 PolarHBondContact O-SG 2.68Å; R791-C795 VanDerWaalsContact O-SG 3.34Å; H793-C795 PolarHBondContact O-N 2.95Å; C795-T798 WeakPolarHBondContact CA-OG1 3.02Å; C795-E800 WeakPolarHBondContact CB-O 2.9Å; C795-V813 HydrophobicContact CB-CB 4.45Å; C795-V813 HydrophobicContact CB-CG1 3.59Å; C795-V813 HydrophobicContact CB-CG2 4.12Å
796	R	83.3	Confident	87.3	Confident	168 Å²	168	76.8 Å²	76.8	63%	0.634	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-11.7	169.6	-57.9	-165.8	-170.7	93.9	10.5	113.8	H793 I794	H793-R796 PolarHBondContact ND1-NH1 3.11Å; H793-R796 VanDerWaalsContact O-CB 3.28Å; H793-R796 WeakPolarHBondContact O-CB 3.03Å; H793-R796 PolarHBondContact O-N 3.4Å; I794-R796 PolarHBondContact O-N 3.42Å
797	H	86	Confident	86.9	Confident	77 Å²	77	76.4 Å²	76.4	36%	0.356	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-53	178	-64.3	-62.3	0	0	0	110.3	C775 F777 C780 H793 I794 G799	C775-H797 VanDerWaalsContact SG-CD2 3.59Å; C775-H797 PolarHBondContact SG-NE2 2.89Å; F777-H797 HydrophobicContact CD1-CB 3.97Å; F777-H797 HydrophobicContact CD2-CB 3.76Å; F777-H797 AromaticContact CD2-CD2 3.28Å; F777-H797 WeakPolarHBondContact CD2-CD2 3.45Å; F777-H797 AromaticContact CD2-CG 3.67Å; F777-H797 HydrophobicContact CE1-CB 3.78Å; F777-H797 HydrophobicContact CE2-CB 3.55Å; F777-H797 AromaticContact CE2-CD2 3.86Å; F777-H797 AromaticContact CE2-CG 4Å; F777-H797 HydrophobicContact CG-CB 3.97Å; F777-H797 AromaticContact CG-CD2 3.63Å; F777-H797 AromaticContact CG-CG 3.75Å; F777-H797 HydrophobicContact CZ-CB 3.56Å; C780-H797 WeakPolarHBondContact CB-CE1 3.17Å; C780-H797 WeakPolarHBondContact CB-NE2 3.46Å; C780-H797 PolarHBondContact SG-CE1 3.41Å; C780-H797 PolarHBondContact SG-NE2 3.21Å; H793-H797 AromaticContact CD2-NE2 3.95Å; H793-H797 AromaticContact CE1-CD2 3.76Å; H793-H797 AromaticContact CE1-NE2 3.09Å; H793-H797 PolarHBondContact CE1-NE2 2.69Å; H793-H797 AromaticContact NE2-NE2 2.88Å; H793-H797 PolarHBondContact NE2-NE2 3.1Å; I794-H797 WeakPolarHBondContact O-CA 3.38Å; I794-H797 WeakPolarHBondContact O-CB 3.46Å; I794-H797 PolarHBondContact O-N 2.44Å; H797-G799 PolarHBondContact O-N 2.88Å
798	T	84.9	Confident	86.8	Confident	66 Å²	66	75.2 Å²	75.2	41%	0.405	37%	0.374	S	S	.	.	S	Bend	trans	-66.1	-19.1	172.6	57.9	0	0	0	0	112.4	F777 I794 C795 E800	F777-T798 HydrophobicContact CZ-CG2 4.23Å; I794-T798 HydrophobicContact CG2-CG2 3.83Å; I794-T798 PolarHBondContact O-N 3Å; I794-T798 VanDerWaalsContact O-N 3.08Å; I794-T798 PolarHBondContact O-OG1 2.79Å; C795-T798 WeakPolarHBondContact CA-OG1 3.02Å; T798-E800 WeakPolarHBondContact CB-OE2 3.48Å; T798-E800 PolarHBondContact O-N 2.96Å; T798-E800 VanDerWaalsContact OG1-CD 3.25Å; T798-E800 WeakPolarHBondContact OG1-CG 3.44Å; T798-E800 PolarHBondContact OG1-OE2 2.98Å
799	G	84.4	Confident	86.8	Confident	47 Å²	47	76.6 Å²	76.6	49%	0.485	38%	0.375	S	S	.	.			trans	73.3	1.2	-177.6	0	0	0	0	0	114.5	H797 R801	H797-G799 PolarHBondContact O-N 2.88Å; G799-R801 VanDerWaalsContact O-CG 3.3Å; G799-R801 WeakPolarHBondContact O-CG 3.02Å
800	E	85.2	Confident	86.7	Confident	106 Å²	106	73.3 Å²	73.3	50%	0.495	36%	0.364	S	S	.	.			trans	-63.6	146.6	-176	-64.2	161.5	130.6	0	0	113.4	C795 T798	C795-E800 WeakPolarHBondContact CB-O 2.9Å; T798-E800 WeakPolarHBondContact CB-OE2 3.48Å; T798-E800 PolarHBondContact O-N 2.96Å; T798-E800 VanDerWaalsContact OG1-CD 3.25Å; T798-E800 WeakPolarHBondContact OG1-CG 3.44Å; T798-E800 PolarHBondContact OG1-OE2 2.98Å
801	R	86.7	Confident	86.7	Confident	77 Å²	77	74.3 Å²	74.3	29%	0.291	37%	0.373	S	S	.	.			trans	-144.3	67	-172.5	-55.9	172.2	74.8	90.6	4	110.3	G799 F803 S811 F812 V813	G799-R801 VanDerWaalsContact O-CG 3.3Å; G799-R801 WeakPolarHBondContact O-CG 3.02Å; R801-F803 PolarHBondContact O-N 3.44Å; R801-S811 WeakPolarHBondContact CB-OG 3.31Å; R801-S811 VanDerWaalsContact CD-OG 3.26Å; R801-S811 WeakPolarHBondContact CD-OG 3.02Å; R801-S811 VanDerWaalsContact CZ-O 3.3Å; R801-S811 PolarHBondContact NE-O 2.95Å; R801-S811 PolarHBondContact NE-OG 3.36Å; R801-S811 VanDerWaalsContact NE-OG 3.16Å; R801-S811 PolarHBondContact NH2-O 3.29Å; R801-S811 WeakPolarHBondContact O-CB 3.38Å; R801-F812 CarbonylContact C-O 3.1Å; R801-F812 WeakPolarHBondContact CA-O 3.25Å; R801-V813 HydrophobicContact CG-CG2 4.37Å
802	P	84.1	Confident	86.7	Confident	87 Å²	87	67.9 Å²	67.9	57%	0.565	35%	0.349	S	S	*	.			trans	-59.1	-26.6	-163.3	-26.5	36	0	0	0	115.1	V804	P802-V804 PolarHBondContact O-N 2.9Å
803	F	90	Very high	86.8	Confident	67 Å²	67	67 Å²	67	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	86.7	-174.2	-55.7	-80	0	0	0	110.4	R801 F812 R814 M815 L818	R801-F803 PolarHBondContact O-N 3.44Å; F803-F812 HydrophobicContact CB-CB 4.26Å; F803-F812 WeakPolarHBondContact CB-O 3.17Å; F803-F812 WeakPolarHBondContact CD2-O 3.43Å; F803-F812 PolarHBondContact N-O 3.32Å; F803-F812 WeakPolarHBondContact O-CB 3.33Å; F803-F812 WeakPolarHBondContact O-CD2 3.41Å; F803-F812 PolarHBondContact O-N 2.88Å; F803-R814 VanDerWaalsContact CD2-CA 3.44Å; F803-M815 HydrophobicContact CD1-CB 3.78Å; F803-M815 HydrophobicContact CD1-CE 3.84Å; F803-M815 HydrophobicContact CD1-CG 4.49Å; F803-M815 HydrophobicContact CD1-SD 4.1Å; F803-M815 HydrophobicContact CE1-CB 3.71Å; F803-M815 HydrophobicContact CE1-CE 4Å; F803-M815 HydrophobicContact CG-CB 4.35Å; F803-M815 HydrophobicContact CZ-CB 4.21Å; F803-L818 HydrophobicContact CB-CB 3.96Å; F803-L818 HydrophobicContact CB-CD2 3.82Å
804	V	89.8	Confident	86.8	Confident	60 Å²	60	70.5 Å²	70.5	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	145	176.5	-173.3	0	0	0	0	110.8	P802 K809 A810 L818	P802-V804 PolarHBondContact O-N 2.9Å; V804-K809 HydrophobicContact CG1-CB 4.34Å; V804-K809 HydrophobicContact CG1-CD 4.11Å; V804-A810 CarbonylContact C-O 3.49Å; V804-L818 WeakPolarHBondContact O-CD2 3.5Å
805	C	90.1	Very high	86.7	Confident	8 Å²	8	73.1 Å²	73.1	5%	0.054	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.4	170.8	-171.9	0	0	0	0	111.6	K807 C808 K809 A810 F812 L818 H821 H825	C805-K807 VanDerWaalsContact C-N 3.28Å; C805-K807 PolarHBondContact O-N 3.31Å; C805-C808 PolarHBondContact O-N 3.07Å; C805-K809 WeakPolarHBondContact O-CA 3.44Å; C805-K809 PolarHBondContact O-N 2.95Å; C805-A810 PolarHBondContact N-O 2.76Å; C805-F812 HydrophobicContact CB-CE2 4.5Å; C805-L818 HydrophobicContact CB-CD1 3.38Å; C805-H821 VanDerWaalsContact CB-CD2 3.45Å; C805-H821 WeakPolarHBondContact CB-CD2 3.37Å; C805-H821 VanDerWaalsContact CB-NE2 3.35Å; C805-H821 WeakPolarHBondContact CB-NE2 3.4Å; C805-H821 PolarHBondContact SG-CD2 3.29Å; C805-H821 PolarHBondContact SG-NE2 3.49Å; C805-H825 PolarHBondContact SG-NE2 3.43Å
806	D	86.7	Confident	86.7	Confident	120 Å²	120	79 Å²	79	64%	0.642	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.3	-174.7	-55.2	-67.4	0	0	0	114	C808 K809	D806-C808 PolarHBondContact O-N 3.25Å; D806-C808 VanDerWaalsContact O-N 3.12Å; D806-K809 IonicContact OD1-NZ 2.62Å; D806-K809 PolarHBondContact OD1-NZ 2.97Å
807	K	81.4	Confident	87.1	Confident	146 Å²	146	72.2 Å²	72.2	64%	0.635	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.4	-175.9	-63.2	-173.1	177.4	-173.1	0	114.9	C805 H825	C805-K807 VanDerWaalsContact C-N 3.28Å; C805-K807 PolarHBondContact O-N 3.31Å; K807-H825 HydrophobicContact CD-CB 3.88Å; K807-H825 PolarHBondContact O-CE1 3.26Å
808	C	86.2	Confident	87.2	Confident	49 Å²	49	69.8 Å²	69.8	33%	0.331	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.6	11.1	171.7	63.6	0	0	0	0	115.2	C805 D806 A810 H821 H825 P831	C805-C808 PolarHBondContact O-N 3.07Å; D806-C808 PolarHBondContact O-N 3.25Å; D806-C808 VanDerWaalsContact O-N 3.12Å; C808-A810 PolarHBondContact O-N 3.09Å; C808-A810 WeakPolarHBondContact SG-CB 3.38Å; C808-H821 PolarHBondContact SG-CE1 2.97Å; C808-H821 PolarHBondContact SG-NE2 2.78Å; C808-H825 WeakPolarHBondContact CB-CE1 3.44Å; C808-H825 PolarHBondContact SG-CE1 2.91Å; C808-H825 PolarHBondContact SG-NE2 3.23Å; C808-P831 HydrophobicContact CB-CG 4.01Å; C808-P831 VanDerWaalsContact SG-CG 3.53Å
809	K	86.5	Confident	87.4	Confident	141 Å²	141	74.5 Å²	74.5	61%	0.613	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	23.2	-172.9	-55.3	-61.3	179.6	177	0	115.5	V804 C805 D806 S811	V804-K809 HydrophobicContact CG1-CB 4.34Å; V804-K809 HydrophobicContact CG1-CD 4.11Å; C805-K809 WeakPolarHBondContact O-CA 3.44Å; C805-K809 PolarHBondContact O-N 2.95Å; D806-K809 IonicContact OD1-NZ 2.62Å; D806-K809 PolarHBondContact OD1-NZ 2.97Å; K809-S811 PolarHBondContact O-N 3.36Å
810	A	87.8	Confident	87.4	Confident	21 Å²	21	78.1 Å²	78.1	17%	0.174	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.8	174	0	0	0	0	0	110.9	V804 C805 C808 F812	V804-A810 CarbonylContact C-O 3.49Å; C805-A810 PolarHBondContact N-O 2.76Å; C808-A810 PolarHBondContact O-N 3.09Å; C808-A810 WeakPolarHBondContact SG-CB 3.38Å; A810-F812 HydrophobicContact CB-CE2 3.94Å; A810-F812 HydrophobicContact CB-CZ 4.05Å; A810-F812 WeakPolarHBondContact O-CD2 3.4Å; A810-F812 VanDerWaalsContact O-CE2 3.26Å; A810-F812 WeakPolarHBondContact O-CE2 3.5Å
811	S	87.6	Confident	87.5	Confident	36 Å²	36	73.6 Å²	73.6	25%	0.252	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.5	-172.2	62.3	0	0	0	0	113.3	R801 K809	R801-S811 WeakPolarHBondContact CB-OG 3.31Å; R801-S811 VanDerWaalsContact CD-OG 3.26Å; R801-S811 WeakPolarHBondContact CD-OG 3.02Å; R801-S811 VanDerWaalsContact CZ-O 3.3Å; R801-S811 PolarHBondContact NE-O 2.95Å; R801-S811 PolarHBondContact NE-OG 3.36Å; R801-S811 VanDerWaalsContact NE-OG 3.16Å; R801-S811 PolarHBondContact NH2-O 3.29Å; R801-S811 WeakPolarHBondContact O-CB 3.38Å; K809-S811 PolarHBondContact O-N 3.36Å
812	F	89	Confident	87.4	Confident	29 Å²	29	71.9 Å²	71.9	13%	0.127	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.4	-173.7	-59.4	-81.4	0	0	0	112.3	R801 F803 C805 A810 R814 D817 L818 H821	R801-F812 CarbonylContact C-O 3.1Å; R801-F812 WeakPolarHBondContact CA-O 3.25Å; F803-F812 HydrophobicContact CB-CB 4.26Å; F803-F812 WeakPolarHBondContact CB-O 3.17Å; F803-F812 WeakPolarHBondContact CD2-O 3.43Å; F803-F812 PolarHBondContact N-O 3.32Å; F803-F812 WeakPolarHBondContact O-CB 3.33Å; F803-F812 WeakPolarHBondContact O-CD2 3.41Å; F803-F812 PolarHBondContact O-N 2.88Å; C805-F812 HydrophobicContact CB-CE2 4.5Å; A810-F812 HydrophobicContact CB-CE2 3.94Å; A810-F812 HydrophobicContact CB-CZ 4.05Å; A810-F812 WeakPolarHBondContact O-CD2 3.4Å; A810-F812 VanDerWaalsContact O-CE2 3.26Å; A810-F812 WeakPolarHBondContact O-CE2 3.5Å; F812-R814 VanDerWaalsContact C-N 3.28Å; F812-R814 PolarHBondContact O-N 3.04Å; F812-D817 HydrophobicContact CB-CB 4.16Å; F812-D817 HydrophobicContact CD1-CB 3.93Å; F812-D817 HydrophobicContact CG-CB 4.26Å; F812-L818 HydrophobicContact CB-CB 4.39Å; F812-L818 HydrophobicContact CD2-CB 3.97Å; F812-L818 HydrophobicContact CD2-CD1 4.09Å; F812-L818 HydrophobicContact CE2-CD1 4.34Å; F812-L818 HydrophobicContact CG-CB 4.41Å; F812-H821 HydrophobicContact CE1-CB 4.25Å; F812-H821 HydrophobicContact CE2-CB 3.83Å; F812-H821 AromaticContact CE2-CD2 3.57Å; F812-H821 AromaticContact CE2-CG 3.52Å; F812-H821 AromaticContact CE2-ND1 3.93Å; F812-H821 AromaticContact CE2-NE2 4Å; F812-H821 HydrophobicContact CZ-CB 3.6Å; F812-H821 AromaticContact CZ-CD2 3.89Å; F812-H821 AromaticContact CZ-CE1 3.93Å; F812-H821 AromaticContact CZ-CG 3.37Å; F812-H821 AromaticContact CZ-ND1 3.43Å; F812-H821 WeakPolarHBondContact CZ-ND1 3.31Å
813	V	89.5	Confident	87.4	Confident	34 Å²	34	71.8 Å²	71.8	21%	0.206	34%	0.342	C	S	.	.	S	Bend	trans	-77.3	-13.3	177.3	176.9	0	0	0	0	112.3	C795 R801	C795-V813 HydrophobicContact CB-CB 4.45Å; C795-V813 HydrophobicContact CB-CG1 3.59Å; C795-V813 HydrophobicContact CB-CG2 4.12Å; R801-V813 HydrophobicContact CG-CG2 4.37Å
814	R	88.6	Confident	86.8	Confident	79 Å²	79	71.7 Å²	71.7	30%	0.298	34%	0.344	S	S	.	.	S	Bend	trans	-145.1	138.5	-176.7	-56.3	-177.2	-57	146.6	3.3	112.3	E792 F803 F812 Y816 D817 L818	E792-R814 VanDerWaalsContact CD-CD 3.41Å; E792-R814 HydrophobicContact CG-CG 3.99Å; E792-R814 WeakPolarHBondContact OE2-CD 3.18Å; F803-R814 VanDerWaalsContact CD2-CA 3.44Å; F812-R814 VanDerWaalsContact C-N 3.28Å; F812-R814 PolarHBondContact O-N 3.04Å; R814-Y816 PolarHBondContact O-N 2.86Å; R814-Y816 VanDerWaalsContact O-N 3.16Å; R814-D817 IonicContact CZ-OD2 2.68Å; R814-D817 IonicContact NE-OD2 3.99Å; R814-D817 PolarHBondContact NE-OD2 3.09Å; R814-D817 IonicContact NH2-OD1 3.09Å; R814-D817 PolarHBondContact NH2-OD1 2.74Å; R814-D817 IonicContact NH2-OD2 3.08Å; R814-D817 PolarHBondContact NH2-OD2 3.38Å; R814-D817 PolarHBondContact O-N 3.4Å; R814-L818 PolarHBondContact O-N 3.05Å; R814-L818 VanDerWaalsContact O-N 3.16Å
815	M	85.9	Confident	86.3	Confident	97 Å²	97	70.4 Å²	70.4	48%	0.478	33%	0.334	S	S	.	.	H	α-helix	trans	-51.3	-37.2	172.9	-176.8	57.6	89.5	0	0	113.2	F803 D817 L818 R819	F803-M815 HydrophobicContact CD1-CB 3.78Å; F803-M815 HydrophobicContact CD1-CE 3.84Å; F803-M815 HydrophobicContact CD1-CG 4.49Å; F803-M815 HydrophobicContact CD1-SD 4.1Å; F803-M815 HydrophobicContact CE1-CB 3.71Å; F803-M815 HydrophobicContact CE1-CE 4Å; F803-M815 HydrophobicContact CG-CB 4.35Å; F803-M815 HydrophobicContact CZ-CB 4.21Å; M815-D817 PolarHBondContact O-N 3.02Å; M815-L818 PolarHBondContact O-N 2.82Å; M815-L818 HydrophobicContact SD-CD2 4.02Å; M815-R819 WeakPolarHBondContact O-CB 3.17Å; M815-R819 PolarHBondContact O-N 3.39Å
816	Y	88.3	Confident	85.5	Confident	143 Å²	143	76 Å²	76	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-64.7	-36.9	175.3	173.8	-93.8	0	0	0	113.4	R814 R820	R814-Y816 PolarHBondContact O-N 2.86Å; R814-Y816 VanDerWaalsContact O-N 3.16Å; Y816-R820 WeakPolarHBondContact O-CB 3.38Å; Y816-R820 PolarHBondContact O-N 2.72Å
817	D	89.8	Confident	84.5	Confident	27 Å²	27	80.5 Å²	80.5	14%	0.144	37%	0.371	C	S	.	.	H	α-helix	trans	-71.5	-35.6	177.3	-70.2	-50.3	0	0	0	111	F812 R814 M815 R820 H821	F812-D817 HydrophobicContact CB-CB 4.16Å; F812-D817 HydrophobicContact CD1-CB 3.93Å; F812-D817 HydrophobicContact CG-CB 4.26Å; R814-D817 IonicContact CZ-OD2 2.68Å; R814-D817 IonicContact NE-OD2 3.99Å; R814-D817 PolarHBondContact NE-OD2 3.09Å; R814-D817 IonicContact NH2-OD1 3.09Å; R814-D817 PolarHBondContact NH2-OD1 2.74Å; R814-D817 IonicContact NH2-OD2 3.08Å; R814-D817 PolarHBondContact NH2-OD2 3.38Å; R814-D817 PolarHBondContact O-N 3.4Å; M815-D817 PolarHBondContact O-N 3.02Å; D817-R820 IonicContact OD1-CZ 3.8Å; D817-R820 IonicContact OD1-NH1 3.99Å; D817-R820 PolarHBondContact OD1-NH1 2.79Å; D817-R820 IonicContact OD1-NH2 3.69Å; D817-R820 PolarHBondContact OD1-NH2 3.24Å; D817-H821 VanDerWaalsContact O-CB 3.29Å; D817-H821 WeakPolarHBondContact O-CB 3.49Å; D817-H821 PolarHBondContact O-N 2.9Å
818	L	88.8	Confident	83.2	Confident	25 Å²	25	77.1 Å²	77.1	13%	0.131	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-50.9	169	171.3	59.1	0	0	0	111.8	F803 V804 C805 F812 R814 M815 R820 H821 S822	F803-L818 HydrophobicContact CB-CB 3.96Å; F803-L818 HydrophobicContact CB-CD2 3.82Å; V804-L818 WeakPolarHBondContact O-CD2 3.5Å; C805-L818 HydrophobicContact CB-CD1 3.38Å; F812-L818 HydrophobicContact CB-CB 4.39Å; F812-L818 HydrophobicContact CD2-CB 3.97Å; F812-L818 HydrophobicContact CD2-CD1 4.09Å; F812-L818 HydrophobicContact CE2-CD1 4.34Å; F812-L818 HydrophobicContact CG-CB 4.41Å; R814-L818 PolarHBondContact O-N 3.05Å; R814-L818 VanDerWaalsContact O-N 3.16Å; M815-L818 PolarHBondContact O-N 2.82Å; M815-L818 HydrophobicContact SD-CD2 4.02Å; L818-R820 VanDerWaalsContact C-N 3.33Å; L818-R820 PolarHBondContact O-N 2.8Å; L818-H821 CarbonylContact O-C 3.59Å; L818-H821 WeakPolarHBondContact O-CA 3.28Å; L818-H821 WeakPolarHBondContact O-CB 3.41Å; L818-H821 PolarHBondContact O-N 2.88Å; L818-S822 PolarHBondContact O-N 3.08Å
819	R	89.5	Confident	81.3	Confident	166 Å²	166	77 Å²	77	63%	0.626	38%	0.38	S	S	*	.	H	α-helix	trans	-62.2	-37	178.9	-167.3	-176.9	-67.7	-172.5	-1.9	112.4	M815 H821 S822 N823	M815-R819 WeakPolarHBondContact O-CB 3.17Å; M815-R819 PolarHBondContact O-N 3.39Å; R819-H821 VanDerWaalsContact C-N 3.26Å; R819-H821 PolarHBondContact O-N 2.96Å; R819-S822 PolarHBondContact O-OG 2.96Å; R819-N823 PolarHBondContact O-N 3.18Å
820	R	83.8	Confident	79.4	Confident	123 Å²	123	78.1 Å²	78.1	46%	0.464	39%	0.387	S	S	.	.	H	α-helix	trans	-68.5	-26.8	171.8	-168.3	-172.3	64.4	-121.7	-17.4	112.2	Y816 D817 L818	Y816-R820 WeakPolarHBondContact O-CB 3.38Å; Y816-R820 PolarHBondContact O-N 2.72Å; D817-R820 IonicContact OD1-CZ 3.8Å; D817-R820 IonicContact OD1-NH1 3.99Å; D817-R820 PolarHBondContact OD1-NH1 2.79Å; D817-R820 IonicContact OD1-NH2 3.69Å; D817-R820 PolarHBondContact OD1-NH2 3.24Å; L818-R820 VanDerWaalsContact C-N 3.33Å; L818-R820 PolarHBondContact O-N 2.8Å
821	H	87.4	Confident	77.5	Confident	11 Å²	11	77.9 Å²	77.9	5%	0.051	38%	0.384	C	S	.	.	H	α-helix	trans	-82.6	-36.2	176.5	163.7	94.3	0	0	0	113.1	C805 C808 F812 D817 L818 R819 N823 I824 H825 P831	C805-H821 VanDerWaalsContact CB-CD2 3.45Å; C805-H821 WeakPolarHBondContact CB-CD2 3.37Å; C805-H821 VanDerWaalsContact CB-NE2 3.35Å; C805-H821 WeakPolarHBondContact CB-NE2 3.4Å; C805-H821 PolarHBondContact SG-CD2 3.29Å; C805-H821 PolarHBondContact SG-NE2 3.49Å; C808-H821 PolarHBondContact SG-CE1 2.97Å; C808-H821 PolarHBondContact SG-NE2 2.78Å; F812-H821 HydrophobicContact CE1-CB 4.25Å; F812-H821 HydrophobicContact CE2-CB 3.83Å; F812-H821 AromaticContact CE2-CD2 3.57Å; F812-H821 AromaticContact CE2-CG 3.52Å; F812-H821 AromaticContact CE2-ND1 3.93Å; F812-H821 AromaticContact CE2-NE2 4Å; F812-H821 HydrophobicContact CZ-CB 3.6Å; F812-H821 AromaticContact CZ-CD2 3.89Å; F812-H821 AromaticContact CZ-CE1 3.93Å; F812-H821 AromaticContact CZ-CG 3.37Å; F812-H821 AromaticContact CZ-ND1 3.43Å; F812-H821 WeakPolarHBondContact CZ-ND1 3.31Å; D817-H821 VanDerWaalsContact O-CB 3.29Å; D817-H821 WeakPolarHBondContact O-CB 3.49Å; D817-H821 PolarHBondContact O-N 2.9Å; L818-H821 CarbonylContact O-C 3.59Å; L818-H821 WeakPolarHBondContact O-CA 3.28Å; L818-H821 WeakPolarHBondContact O-CB 3.41Å; L818-H821 PolarHBondContact O-N 2.88Å; R819-H821 VanDerWaalsContact C-N 3.26Å; R819-H821 PolarHBondContact O-N 2.96Å; H821-N823 PolarHBondContact O-N 3.35Å; H821-I824 HydrophobicContact CB-CD1 4.46Å; H821-I824 WeakPolarHBondContact O-CA 3.44Å; H821-I824 WeakPolarHBondContact O-CB 3.28Å; H821-I824 WeakPolarHBondContact O-CG1 2.79Å; H821-I824 PolarHBondContact O-N 3.23Å; H821-H825 AromaticContact CD2-NE2 3.34Å; H821-H825 PolarHBondContact CD2-NE2 3.47Å; H821-H825 VanDerWaalsContact CD2-NE2 3.34Å; H821-H825 AromaticContact CE1-NE2 3.07Å; H821-H825 PolarHBondContact CE1-NE2 2.84Å; H821-H825 AromaticContact NE2-CD2 3.77Å; H821-H825 AromaticContact NE2-NE2 2.37Å; H821-H825 PolarHBondContact NE2-NE2 3.35Å; H821-P831 WeakPolarHBondContact CE1-CB 3.39Å
822	S	83.8	Confident	75.6	Confident	40 Å²	40	85.7 Å²	85.7	28%	0.28	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-32.2	174.6	60	0	0	0	0	112	L818 R819 I824 H825 L826	L818-S822 PolarHBondContact O-N 3.08Å; R819-S822 PolarHBondContact O-OG 2.96Å; S822-I824 PolarHBondContact O-N 3.49Å; S822-I824 VanDerWaalsContact O-N 3.1Å; S822-H825 WeakPolarHBondContact O-CB 3.27Å; S822-H825 PolarHBondContact O-N 2.9Å; S822-H825 VanDerWaalsContact O-N 3.08Å; S822-L826 PolarHBondContact O-N 3.1Å; S822-L826 VanDerWaalsContact O-N 3.15Å
823	N	84.1	Confident	73.4	Confident	86 Å²	86	88.6 Å²	88.6	46%	0.46	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-10.2	168.9	-69.5	-9	0	0	0	114.9	R819 H821 R827	R819-N823 PolarHBondContact O-N 3.18Å; H821-N823 PolarHBondContact O-N 3.35Å; N823-R827 VanDerWaalsContact O-CD 3.27Å; N823-R827 WeakPolarHBondContact O-CD 3.42Å; N823-R827 VanDerWaalsContact O-CG 3.27Å; N823-R827 WeakPolarHBondContact O-CG 3.44Å
824	I	78.6	Confident	71.1	Confident	65 Å²	65	92.2 Å²	92.2	33%	0.333	45%	0.449	S	S	.	.	H	α-helix	trans	-83	-43.8	172.1	-51.4	174.2	0	0	0	109.3	H821 S822 L826 R827 A829 P831	H821-I824 HydrophobicContact CB-CD1 4.46Å; H821-I824 WeakPolarHBondContact O-CA 3.44Å; H821-I824 WeakPolarHBondContact O-CB 3.28Å; H821-I824 WeakPolarHBondContact O-CG1 2.79Å; H821-I824 PolarHBondContact O-N 3.23Å; S822-I824 PolarHBondContact O-N 3.49Å; S822-I824 VanDerWaalsContact O-N 3.1Å; I824-L826 PolarHBondContact O-N 3.16Å; I824-R827 PolarHBondContact O-N 3.42Å; I824-A829 HydrophobicContact CG2-CB 3.8Å; I824-A829 WeakPolarHBondContact CG2-O 3.41Å; I824-A829 PolarHBondContact O-N 3.11Å; I824-P831 HydrophobicContact CG2-CB 4.3Å
825	H	79.1	Confident	68.8	Low	32 Å²	32	91.9 Å²	91.9	15%	0.148	46%	0.459	C	S	.	.	H	α-helix	trans	-60.4	-42	174.1	-68.7	-73.4	0	0	0	112.7	C805 K807 C808 H821 S822 R827 G828 P831	C805-H825 PolarHBondContact SG-NE2 3.43Å; K807-H825 HydrophobicContact CD-CB 3.88Å; K807-H825 PolarHBondContact O-CE1 3.26Å; C808-H825 WeakPolarHBondContact CB-CE1 3.44Å; C808-H825 PolarHBondContact SG-CE1 2.91Å; C808-H825 PolarHBondContact SG-NE2 3.23Å; H821-H825 AromaticContact CD2-NE2 3.34Å; H821-H825 PolarHBondContact CD2-NE2 3.47Å; H821-H825 VanDerWaalsContact CD2-NE2 3.34Å; H821-H825 AromaticContact CE1-NE2 3.07Å; H821-H825 PolarHBondContact CE1-NE2 2.84Å; H821-H825 AromaticContact NE2-CD2 3.77Å; H821-H825 AromaticContact NE2-NE2 2.37Å; H821-H825 PolarHBondContact NE2-NE2 3.35Å; S822-H825 WeakPolarHBondContact O-CB 3.27Å; S822-H825 PolarHBondContact O-N 2.9Å; S822-H825 VanDerWaalsContact O-N 3.08Å; H825-R827 PolarHBondContact O-N 3.02Å; H825-G828 PolarHBondContact O-N 3.42Å; H825-G828 VanDerWaalsContact O-N 3.14Å; H825-P831 WeakPolarHBondContact CE1-CD 3.47Å; H825-P831 WeakPolarHBondContact CE1-CG 3.27Å
826	L	74.2	Confident	66.6	Low	126 Å²	126	98.1 Å²	98.1	66%	0.66	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.2	175	-67.1	178	0	0	0	113.7	S822 I824	S822-L826 PolarHBondContact O-N 3.1Å; S822-L826 VanDerWaalsContact O-N 3.15Å; I824-L826 PolarHBondContact O-N 3.16Å
827	R	64	Low	64.2	Low	215 Å²	215	97 Å²	97	81%	0.811	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	16	-178.7	-61.4	177.5	74.5	140.1	10.1	112.7	N823 I824 H825 A829	N823-R827 VanDerWaalsContact O-CD 3.27Å; N823-R827 WeakPolarHBondContact O-CD 3.42Å; N823-R827 VanDerWaalsContact O-CG 3.27Å; N823-R827 WeakPolarHBondContact O-CG 3.44Å; I824-R827 PolarHBondContact O-N 3.42Å; H825-R827 PolarHBondContact O-N 3.02Å; R827-A829 PolarHBondContact O-N 3.28Å
828	G	54.1	Low	61.5	Low	75 Å²	75	102.7 Å²	102.7	77%	0.773	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	0.3	-179.3	0	0	0	0	0	114.9	H825 Q830	H825-G828 PolarHBondContact O-N 3.42Å; H825-G828 VanDerWaalsContact O-N 3.14Å; G828-Q830 PolarHBondContact O-N 3.48Å
829	A	47	Very low	58.7	Low	47 Å²	47	106.9 Å²	106.9	39%	0.388	53%	0.532	S	S	.	.			trans	-82.1	115.9	179.2	0	0	0	0	0	109.1	I824 R827 P831	I824-A829 HydrophobicContact CG2-CB 3.8Å; I824-A829 WeakPolarHBondContact CG2-O 3.41Å; I824-A829 PolarHBondContact O-N 3.11Å; R827-A829 PolarHBondContact O-N 3.28Å; A829-P831 WeakPolarHBondContact O-CD 3.2Å; A829-P831 VanDerWaalsContact O-N 3.15Å
830	Q	47.5	Very low	55.9	Low	164 Å²	164	103.7 Å²	103.7	77%	0.766	53%	0.531	S	S	*	.			trans	-56.1	120.5	163.9	-76.1	-67.6	-7.7	0	0	108.2	G828	G828-Q830 PolarHBondContact O-N 3.48Å
831	P	46.9	Very low	53.2	Low	16 Å²	16	104 Å²	104	10%	0.104	55%	0.549	C	S	.	.			trans	-65.9	150.6	-178.8	28.4	-35.3	0	0	0	109.7	C808 H821 I824 H825 A829 S833	C808-P831 HydrophobicContact CB-CG 4.01Å; C808-P831 VanDerWaalsContact SG-CG 3.53Å; H821-P831 WeakPolarHBondContact CE1-CB 3.39Å; I824-P831 HydrophobicContact CG2-CB 4.3Å; H825-P831 WeakPolarHBondContact CE1-CD 3.47Å; H825-P831 WeakPolarHBondContact CE1-CG 3.27Å; A829-P831 WeakPolarHBondContact O-CD 3.2Å; A829-P831 VanDerWaalsContact O-N 3.15Å; P831-S833 PolarHBondContact O-N 3.05Å
832	R	48.7	Very low	50.4	Low	199 Å²	199	109.5 Å²	109.5	75%	0.751	58%	0.575	S	S	*	*			trans	-56.4	109.2	164.7	-84.1	179.7	159.8	75.1	3.6	108.3	L834	R832-L834 PolarHBondContact O-N 2.85Å; R832-L834 VanDerWaalsContact O-N 3.16Å
833	S	42.9	Very low	47.8	Very low	90 Å²	90	116.3 Å²	116.3	63%	0.629	60%	0.602	S	S	*	*			trans	-60.1	118.4	160.3	52.4	0	0	0	0	107	P831 S835	P831-S833 PolarHBondContact O-N 3.05Å; S833-S835 PolarHBondContact O-N 2.89Å; S833-S835 VanDerWaalsContact O-N 3.07Å
834	L	39.8	Very low	45.1	Very low	110 Å²	110	116.5 Å²	116.5	58%	0.576	61%	0.606	S	S	*	*			trans	-84.2	52.4	169.3	-74.6	166.9	0	0	0	108.2	R832 R836 F837	R832-L834 PolarHBondContact O-N 2.85Å; R832-L834 VanDerWaalsContact O-N 3.16Å; L834-R836 PolarHBondContact O-N 2.91Å; L834-F837 HydrophobicContact CB-CD2 4.12Å; L834-F837 PolarHBondContact O-N 2.97Å
835	S	40.8	Very low	42.9	Very low	72 Å²	72	117.6 Å²	117.6	50%	0.503	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-66.7	0.2	-171.7	49.6	0	0	0	0	114.7	S833 F837 L838	S833-S835 PolarHBondContact O-N 2.89Å; S833-S835 VanDerWaalsContact O-N 3.07Å; S835-F837 PolarHBondContact O-N 3.08Å; S835-L838 PolarHBondContact O-N 2.93Å
836	R	40.7	Very low	40.6	Very low	229 Å²	229	123.2 Å²	123.2	86%	0.864	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-73.1	-6.5	162.5	-169	166	-68.7	168.6	-0.8	113.2	L834	L834-R836 PolarHBondContact O-N 2.91Å
837	F	37.4	Very low	38.7	Very low	120 Å²	120	121.7 Å²	121.7	53%	0.526	64%	0.636	S	S	.	*	G	3₁₀ helix	trans	-112.1	26.8	171.2	-54.7	-69.8	0	0	0	112.3	L834 S835 T839	L834-F837 HydrophobicContact CB-CD2 4.12Å; L834-F837 PolarHBondContact O-N 2.97Å; S835-F837 PolarHBondContact O-N 3.08Å; F837-T839 PolarHBondContact O-N 3.35Å
838	L	31.6	Very low	37.1	Very low	145 Å²	145	115.5 Å²	115.5	76%	0.759	62%	0.618	S	S	*	*			trans	-82.2	56.6	156.2	-70.7	175.6	0	0	0	109.9	S835	S835-L838 PolarHBondContact O-N 2.93Å
839	T	30.7	Very low	36	Very low	113 Å²	113	118.2 Å²	118.2	69%	0.693	61%	0.611	S	S	*	*			trans	-73.3	113.1	137.9	46.8	0	0	0	0	104.9	F837	F837-T839 PolarHBondContact O-N 3.35Å
840	T	30.3	Very low	35.6	Very low	99 Å²	99	118.9 Å²	118.9	61%	0.607	61%	0.613	S	S	*	*			trans	-51.8	160.4	152.9	41.5	0	0	0	0	109	Q842	T840-Q842 PolarHBondContact O-N 2.73Å
841	P	27.9	Very low	35.1	Very low	131 Å²	131	116 Å²	116	85%	0.851	60%	0.601	S	S	*	*			trans	-60.6	93.3	168.1	26.7	-33.5	0	0	0	108.5	Q843	P841-Q843 PolarHBondContact O-N 2.75Å
842	Q	28.6	Very low	34.7	Very low	125 Å²	125	119.8 Å²	119.8	58%	0.584	62%	0.62	S	S	*	*			trans	-66	94.2	160.9	-72.5	-87.2	-60.8	0	0	104.7	T840 T844	T840-Q842 PolarHBondContact O-N 2.73Å; Q842-T844 PolarHBondContact O-N 3Å
843	Q	29.4	Very low	34.1	Very low	183 Å²	183	114.2 Å²	114.2	86%	0.855	62%	0.616	S	S	*	*			trans	-44.1	114.7	157.1	-169.9	175.4	25.7	0	0	105.7	P841	P841-Q843 PolarHBondContact O-N 2.75Å
844	T	28	Very low	33.5	Very low	90 Å²	90	116.9 Å²	116.9	55%	0.552	62%	0.623	S	S	*	*			trans	-63.3	146.3	-155.6	22.4	0	0	0	0	111.1	Q842 E846	Q842-T844 PolarHBondContact O-N 3Å; T844-E846 PolarHBondContact O-N 2.95Å
845	N	31.3	Very low	33.3	Very low	88 Å²	88	114.6 Å²	114.6	47%	0.471	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	31.3	-172.7	-73.5	-71.9	0	0	0	114.1	T847 L848 E849	N845-T847 VanDerWaalsContact C-N 3.28Å; N845-L848 HydrophobicContact CB-CB 3.96Å; N845-L848 HydrophobicContact CB-CD2 4.5Å; N845-L848 WeakPolarHBondContact O-CB 3.48Å; N845-L848 PolarHBondContact O-N 2.82Å; N845-E849 PolarHBondContact O-N 3.3Å
846	E	30	Very low	32.6	Very low	151 Å²	151	120.5 Å²	120.5	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-66.8	-32.5	174.1	-62.5	178	156.3	0	0	110.4	T844 S850	T844-E846 PolarHBondContact O-N 2.95Å; E846-S850 PolarHBondContact O-N 2.85Å; E846-S850 VanDerWaalsContact O-N 3.16Å
847	T	36	Very low	32.1	Very low	94 Å²	94	115.9 Å²	115.9	58%	0.577	63%	0.627	S	S	*	*	H	α-helix	trans	-64.7	-34.6	165.7	25.1	0	0	0	0	112.8	N845 S850 I851	N845-T847 VanDerWaalsContact C-N 3.28Å; T847-S850 WeakPolarHBondContact CA-OG 3.36Å; T847-S850 PolarHBondContact O-N 3.07Å; T847-S850 PolarHBondContact O-OG 2.95Å; T847-I851 WeakPolarHBondContact O-CD1 3.32Å; T847-I851 VanDerWaalsContact O-CG1 3.3Å; T847-I851 WeakPolarHBondContact O-CG1 3.41Å; T847-I851 PolarHBondContact O-N 3.36Å
848	L	30.1	Very low	31.8	Very low	85 Å²	85	115.5 Å²	115.5	45%	0.445	64%	0.637	S	S	.	*	H	α-helix	trans	-69.5	-43	-179.1	-168	65.8	0	0	0	111.6	N845 S850 I851 I852	N845-L848 HydrophobicContact CB-CB 3.96Å; N845-L848 HydrophobicContact CB-CD2 4.5Å; N845-L848 WeakPolarHBondContact O-CB 3.48Å; N845-L848 PolarHBondContact O-N 2.82Å; L848-S850 VanDerWaalsContact C-N 3.3Å; L848-S850 PolarHBondContact O-N 2.85Å; L848-I851 PolarHBondContact O-N 3.08Å; L848-I852 HydrophobicContact CG-CD1 4.2Å; L848-I852 WeakPolarHBondContact O-CG1 3.2Å; L848-I852 PolarHBondContact O-N 2.84Å
849	E	30.7	Very low	31.6	Very low	132 Å²	132	115.3 Å²	115.3	62%	0.617	64%	0.641	S	S	*	*	H	α-helix	trans	-62.5	-36.2	172.3	-68.9	-64.3	150.9	0	0	111.5	N845 I851 I852 A853	N845-E849 PolarHBondContact O-N 3.3Å; E849-I851 VanDerWaalsContact C-N 3.32Å; E849-I851 PolarHBondContact O-N 2.95Å; E849-I852 PolarHBondContact O-N 3.21Å; E849-A853 WeakPolarHBondContact O-CB 3.44Å; E849-A853 PolarHBondContact O-N 3.17Å
850	S	39.5	Very low	31.7	Very low	61 Å²	61	114.7 Å²	114.7	43%	0.427	64%	0.642	S	S	.	*	H	α-helix	trans	-65.3	-31.4	173.6	80.1	0	0	0	0	114	E846 T847 L848	E846-S850 PolarHBondContact O-N 2.85Å; E846-S850 VanDerWaalsContact O-N 3.16Å; T847-S850 WeakPolarHBondContact CA-OG 3.36Å; T847-S850 PolarHBondContact O-N 3.07Å; T847-S850 PolarHBondContact O-OG 2.95Å; L848-S850 VanDerWaalsContact C-N 3.3Å; L848-S850 PolarHBondContact O-N 2.85Å
851	I	35.7	Very low	31.8	Very low	102 Å²	102	116.5 Å²	116.5	52%	0.523	65%	0.653	S	S	.	*	H	α-helix	trans	-75.1	-39.2	176.9	-70.8	162.1	0	0	0	110.3	T847 L848 E849 S855	T847-I851 WeakPolarHBondContact O-CD1 3.32Å; T847-I851 VanDerWaalsContact O-CG1 3.3Å; T847-I851 WeakPolarHBondContact O-CG1 3.41Å; T847-I851 PolarHBondContact O-N 3.36Å; L848-I851 PolarHBondContact O-N 3.08Å; E849-I851 VanDerWaalsContact C-N 3.32Å; E849-I851 PolarHBondContact O-N 2.95Å; I851-S855 PolarHBondContact O-OG 3.47Å
852	I	39.6	Very low	32.2	Very low	97 Å²	97	114.7 Å²	114.7	50%	0.497	64%	0.639	S	S	.	*	H	α-helix	trans	-68.3	-41.7	177.3	-67.1	167.2	0	0	0	110.8	L848 E849 N854 S855	L848-I852 HydrophobicContact CG-CD1 4.2Å; L848-I852 WeakPolarHBondContact O-CG1 3.2Å; L848-I852 PolarHBondContact O-N 2.84Å; E849-I852 PolarHBondContact O-N 3.21Å; I852-N854 PolarHBondContact O-N 3.15Å; I852-S855 PolarHBondContact O-N 3.01Å; I852-S855 VanDerWaalsContact O-N 3.1Å
853	A	34.3	Very low	32.4	Very low	81 Å²	81	114 Å²	114	67%	0.669	64%	0.644	S	S	*	*	H	α-helix	trans	-58.9	-30.5	-178.1	0	0	0	0	0	114.4	E849	E849-A853 WeakPolarHBondContact O-CB 3.44Å; E849-A853 PolarHBondContact O-N 3.17Å
854	N	31.5	Very low	32.6	Very low	147 Å²	147	110.6 Å²	110.6	79%	0.786	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	4	-179.7	-72.3	-27.5	0	0	0	114.1	I852	I852-N854 PolarHBondContact O-N 3.15Å
855	S	34.5	Very low	32.8	Very low	62 Å²	62	110 Å²	110	43%	0.434	63%	0.627	S	S	.	*			trans	-106.2	85.9	-172.3	-65.5	0	0	0	0	112.3	I851 I852 I857	I851-S855 PolarHBondContact O-OG 3.47Å; I852-S855 PolarHBondContact O-N 3.01Å; I852-S855 VanDerWaalsContact O-N 3.1Å; S855-I857 PolarHBondContact O-N 3.15Å
856	Q	27.5	Very low	33	Very low	195 Å²	195	108.5 Å²	108.5	91%	0.911	62%	0.621	S	S	*	*			trans	-71.3	61.4	179.3	-167.5	77.2	20.1	0	0	112.7
857	I	29	Very low	33.2	Very low	133 Å²	133	105.3 Å²	105.3	68%	0.682	61%	0.612	S	S	*	*			trans	-115.6	118.2	-176.2	-57	179.4	0	0	0	109.5	S855 V859	S855-I857 PolarHBondContact O-N 3.15Å; I857-V859 PolarHBondContact O-N 2.79Å
858	P	31	Very low	33.2	Very low	112 Å²	112	109.3 Å²	109.3	73%	0.727	62%	0.617	S	S	*	*			trans	-72	120.8	-173.4	27.6	-34	0	0	0	112.2	S860	P858-S860 PolarHBondContact O-N 2.63Å
859	V	27.6	Very low	33.6	Very low	140 Å²	140	107.6 Å²	107.6	85%	0.848	62%	0.616	S	S	*	*			trans	-68.7	98.1	-175.4	-175	0	0	0	0	111.5	I857	I857-V859 PolarHBondContact O-N 2.79Å
860	S	33.6	Very low	33.6	Very low	101 Å²	101	107.9 Å²	107.9	71%	0.706	63%	0.627	S	S	*	*			trans	-89.9	137.9	162.2	-63.8	0	0	0	0	109.7	P858 T862	P858-S860 PolarHBondContact O-N 2.63Å; S860-T862 PolarHBondContact O-N 3.32Å; S860-T862 VanDerWaalsContact O-N 3.11Å
861	T	33.1	Very low	33.4	Very low	137 Å²	137	109.1 Å²	109.1	84%	0.84	63%	0.634	S	S	*	*			trans	-64.9	107.6	-163.6	48.8	0	0	0	0	113.9
862	T	35.3	Very low	33.4	Very low	92 Å²	92	110.4 Å²	110.4	56%	0.564	65%	0.647	S	S	*	*			trans	-92.1	116.2	170.4	43.9	0	0	0	0	111.2	S860 I864 V883	S860-T862 PolarHBondContact O-N 3.32Å; S860-T862 VanDerWaalsContact O-N 3.11Å; T862-I864 PolarHBondContact O-N 3.44Å; T862-V883 HydrophobicContact CG2-CG1 4.48Å
863	T	32.7	Very low	33.2	Very low	111 Å²	111	111.4 Å²	111.4	68%	0.681	66%	0.658	S	S	*	*			trans	-84.1	91.9	-179	-35.1	0	0	0	0	111	T865	T863-T865 PolarHBondContact O-N 3.15Å
864	I	34.4	Very low	33.3	Very low	111 Å²	111	116 Å²	116	57%	0.569	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.5	116.2	176.7	-57.8	170.9	0	0	0	109.4	T862	T862-I864 PolarHBondContact O-N 3.44Å
865	T	32.4	Very low	33.5	Very low	78 Å²	78	114 Å²	114	48%	0.479	66%	0.664	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	118.5	175.5	-51.1	0	0	0	0	109.1	T863	T863-T865 PolarHBondContact O-N 3.15Å
866	T	35.7	Very low	33.5	Very low	57 Å²	57	118.5 Å²	118.5	35%	0.35	68%	0.682	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.5	115.3	-179	-53.7	0	0	0	0	109.5	Y868 V879 T881	T866-Y868 HydrophobicContact CG2-CE2 4.3Å; T866-V879 HydrophobicContact CG2-CG1 3.52Å; T866-T881 HydrophobicContact CG2-CG2 4.21Å
867	T	32.3	Very low	33.7	Very low	84 Å²	84	113.7 Å²	113.7	52%	0.515	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.5	139.3	177.3	47.9	0	0	0	0	111.2
868	Y	37	Very low	33.9	Very low	177 Å²	177	112.1 Å²	112.1	69%	0.694	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.7	108.3	-179	-65.8	-92.5	0	0	0	109.3	T866 T870 V879	T866-Y868 HydrophobicContact CG2-CE2 4.3Å; Y868-T870 PolarHBondContact O-N 3.26Å; Y868-V879 HydrophobicContact CE1-CG2 4.34Å
869	A	37.7	Very low	34.1	Very low	49 Å²	49	110.8 Å²	110.8	41%	0.405	65%	0.654	S	S	.	*			trans	-76.8	115.6	174	0	0	0	0	0	110.5	C871	A869-C871 PolarHBondContact O-N 2.89Å; A869-C871 VanDerWaalsContact O-N 3.13Å
870	T	32.4	Very low	34.8	Very low	139 Å²	139	108.6 Å²	108.6	85%	0.853	64%	0.637	S	S	*	*			trans	-86.1	76.2	178.9	54	0	0	0	0	111.2	Y868 T872	Y868-T870 PolarHBondContact O-N 3.26Å; T870-T872 PolarHBondContact O-N 2.94Å
871	C	34.4	Very low	34.8	Very low	87 Å²	87	107.9 Å²	107.9	59%	0.588	63%	0.628	S	S	*	*			trans	-71.5	122.1	175.6	-64.1	0	0	0	0	111.3	A869	A869-C871 PolarHBondContact O-N 2.89Å; A869-C871 VanDerWaalsContact O-N 3.13Å
872	T	35.9	Very low	34.8	Very low	129 Å²	129	104.9 Å²	104.9	79%	0.791	61%	0.61	S	S	*	*			trans	-75.6	137.9	168.7	45.2	0	0	0	0	109.8	T870	T870-T872 PolarHBondContact O-N 2.94Å
873	T	35.3	Very low	34.7	Very low	118 Å²	118	105 Å²	105	72%	0.724	61%	0.61	S	S	*	*	S	Bend	trans	80.6	108.7	-175.9	74.7	0	0	0	0	117.3	T875	T873-T875 VanDerWaalsContact C-N 3.27Å; T873-T875 PolarHBondContact O-N 3.3Å; T873-T875 PolarHBondContact O-OG1 3.02Å
874	N	36.2	Very low	34.6	Very low	178 Å²	178	104.4 Å²	104.4	95%	0.952	61%	0.61	S	S	*	*	S	Bend	trans	38.6	27.9	147.2	-64.1	0.5	0	0	0	121
875	T	36.6	Very low	34.5	Very low	104 Å²	104	102.2 Å²	102.2	64%	0.638	62%	0.615	S	S	*	*	S	Bend	trans	-121.6	151.4	170	44.6	0	0	0	0	110.2	T873	T873-T875 VanDerWaalsContact C-N 3.27Å; T873-T875 PolarHBondContact O-N 3.3Å; T873-T875 PolarHBondContact O-OG1 3.02Å
876	I	34.6	Very low	34.3	Very low	156 Å²	156	104.4 Å²	104.4	80%	0.8	63%	0.629	S	S	*	*			trans	-73.2	130.7	-176.6	-61.7	176.6	0	0	0	108.3	T878	I876-T878 PolarHBondContact O-N 3.49Å; I876-T878 VanDerWaalsContact O-N 3.08Å
877	P	30.8	Very low	34	Very low	94 Å²	94	108.8 Å²	108.8	61%	0.61	65%	0.65	S	S	*	*			trans	-65.1	112.1	-179.1	25.9	-34.2	0	0	0	110.7	V879	P877-V879 PolarHBondContact O-N 3.16Å
878	T	33.2	Very low	33.7	Very low	100 Å²	100	112.1 Å²	112.1	61%	0.613	66%	0.664	S	S	*	*			trans	-72.2	122.5	171.6	35.5	0	0	0	0	110	I876	I876-T878 PolarHBondContact O-N 3.49Å; I876-T878 VanDerWaalsContact O-N 3.08Å
879	V	35.5	Very low	33.3	Very low	85 Å²	85	111.9 Å²	111.9	52%	0.515	67%	0.674	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.5	120.5	171.9	178.9	0	0	0	0	107.9	T866 Y868 P877	T866-V879 HydrophobicContact CG2-CG1 3.52Å; Y868-V879 HydrophobicContact CE1-CG2 4.34Å; P877-V879 PolarHBondContact O-N 3.16Å
880	I	42.8	Very low	32.7	Very low	94 Å²	94	114.7 Å²	114.7	48%	0.482	69%	0.69	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	112.1	176.2	-56.3	178.4	0	0	0	108.1	T882	I880-T882 HydrophobicContact CG2-CG2 4.21Å
881	T	32.1	Very low	32.5	Very low	86 Å²	86	115.6 Å²	115.6	53%	0.528	69%	0.69	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	109.6	169.7	43	0	0	0	0	109.5	T866	T866-T881 HydrophobicContact CG2-CG2 4.21Å
882	T	33.1	Very low	32.1	Very low	73 Å²	73	117 Å²	117	45%	0.448	70%	0.696	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	139.7	170	49.5	0	0	0	0	110.5	I880	I880-T882 HydrophobicContact CG2-CG2 4.21Å
883	V	34.7	Very low	31.8	Very low	94 Å²	94	116.9 Å²	116.9	57%	0.57	70%	0.695	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.6	92.9	178	-176.3	0	0	0	0	108.5	T862 G885	T862-V883 HydrophobicContact CG2-CG1 4.48Å; V883-G885 PolarHBondContact O-N 3.44Å
884	S	30	Very low	31.5	Very low	99 Å²	99	118.6 Å²	118.6	69%	0.692	70%	0.7	S	S	*	*			trans	-81.9	80.4	-178.8	-61	0	0	0	0	111.3	T886	S884-T886 PolarHBondContact O-N 3.28Å
885	G	32.3	Very low	31.1	Very low	65 Å²	65	115.9 Å²	115.9	67%	0.67	69%	0.692	S	S	*	*			trans	-80.3	91.7	173.9	0	0	0	0	0	112.4	V883 N887	V883-G885 PolarHBondContact O-N 3.44Å; G885-N887 PolarHBondContact O-N 3.19Å
886	T	28.7	Very low	30.7	Very low	125 Å²	125	118.4 Å²	118.4	77%	0.767	70%	0.7	S	S	*	*			trans	-89	97.4	172.3	54.1	0	0	0	0	111.2	S884	S884-T886 PolarHBondContact O-N 3.28Å
887	N	28.6	Very low	30.3	Very low	148 Å²	148	118 Å²	118	79%	0.791	70%	0.698	S	S	*	*			trans	-177	140.2	142.5	-97.5	-28.1	0	0	0	113.3	G885	G885-N887 PolarHBondContact O-N 3.19Å
888	L	25	Very low	30	Very low	154 Å²	154	118 Å²	118	81%	0.806	70%	0.7	S	S	*	*			trans	49.5	99.6	153.6	-55.4	176.1	0	0	0	118.1
889	L	29.9	Very low	29.6	Very low	173 Å²	173	118.7 Å²	118.7	91%	0.906	71%	0.705	S	S	*	*				-152.6	140.2	89.1	-101.6	157.2	0	0	0	110.4
890	S	25.7	Very low	29.1	Very low	107 Å²	107	120 Å²	120	75%	0.748	71%	0.712	S	S	*	*			trans	-93	118.7	179.2	52.6	0	0	0	0	109.9
891	D	26.9	Very low	28.2	Very low	159 Å²	159	120.3 Å²	120.3	85%	0.85	72%	0.72	S	S	*	*			trans	-145.2	163.3	153.4	-120.7	-41.9	0	0	0	111.6
892	T	26.5	Very low	27.9	Very low	116 Å²	116	122 Å²	122	71%	0.712	73%	0.731	S	S	*	*			trans	-94.4	164.1	-149.4	62.4	0	0	0	0	116.8
893	T	30	Very low	27.5	Very low	127 Å²	127	122.4 Å²	122.4	78%	0.779	74%	0.736	S	S	*	*	S	Bend	trans	80.7	94.9	168	68	0	0	0	0	118.9
894	N	27.7	Very low	27.2	Very low	153 Å²	153	125.5 Å²	125.5	82%	0.818	75%	0.748	S	S	*	*			trans	56.5	122.7	153.2	-67.2	-11.8	0	0	0	120.7	I896	N894-I896 PolarHBondContact O-N 3.05Å
895	P	28.3	Very low	27	Very low	122 Å²	122	127 Å²	127	79%	0.792	75%	0.748	S	S	*	*			trans	-81.8	103.4	179	33.4	-33.9	0	0	0	112.3
896	I	28.2	Very low	26.7	Very low	156 Å²	156	130 Å²	130	80%	0.8	75%	0.753	S	S	*	*			trans	-87.9	108.5	154.5	-61.6	-177.7	0	0	0	107.3	N894 S898	N894-I896 PolarHBondContact O-N 3.05Å; I896-S898 PolarHBondContact O-N 2.67Å
897	I	26.5	Very low	26.6	Very low	148 Å²	148	131.8 Å²	131.8	76%	0.759	76%	0.758	S	S	*	*			trans	-71.5	82.2	173.7	-56.9	173.4	0	0	0	108	T899	I897-T899 VanDerWaalsContact C-N 3.32Å; I897-T899 HydrophobicContact CG2-CG2 4.17Å; I897-T899 PolarHBondContact O-N 3.03Å
898	S	23.7	Very low	26.4	Very low	94 Å²	94	132.7 Å²	132.7	66%	0.657	75%	0.754	S	S	*	*			trans	-74.7	89.1	169.4	-166.4	0	0	0	0	108.7	I896 V900	I896-S898 PolarHBondContact O-N 2.67Å; S898-V900 PolarHBondContact O-N 3.02Å
899	T	26.1	Very low	26.6	Very low	115 Å²	115	131.2 Å²	131.2	71%	0.706	75%	0.751	S	S	*	*			trans	-61.6	105.4	166.6	50.5	0	0	0	0	108.6	I897 P901	I897-T899 VanDerWaalsContact C-N 3.32Å; I897-T899 HydrophobicContact CG2-CG2 4.17Å; I897-T899 PolarHBondContact O-N 3.03Å; T899-P901 WeakPolarHBondContact O-CD 3.45Å
900	V	24.1	Very low	26.5	Very low	112 Å²	112	129.7 Å²	129.7	68%	0.679	74%	0.74	S	S	*	*			trans	-90.8	97.1	167.4	-179.8	0	0	0	0	107.4	S898 V902	S898-V900 PolarHBondContact O-N 3.02Å; V900-V902 PolarHBondContact O-N 3.46Å; V900-V902 VanDerWaalsContact O-N 3.1Å
901	P	25.2	Very low	26.9	Very low	100 Å²	100	132.5 Å²	132.5	65%	0.649	74%	0.741	S	S	*	*			trans	-66.5	111.4	170	28.3	-33.7	0	0	0	108.3	T899 S903	T899-P901 WeakPolarHBondContact O-CD 3.45Å; P901-S903 PolarHBondContact O-N 3.25Å
902	V	24.6	Very low	27	Very low	123 Å²	123	133.6 Å²	133.6	75%	0.745	74%	0.741	S	S	*	*			trans	-74.8	76.5	170.7	-175.7	0	0	0	0	108.2	V900 I904	V900-V902 PolarHBondContact O-N 3.46Å; V900-V902 VanDerWaalsContact O-N 3.1Å; V902-I904 HydrophobicContact CG1-CG1 4.44Å; V902-I904 PolarHBondContact O-N 2.65Å; V902-I904 VanDerWaalsContact O-N 3.11Å
903	S	24.2	Very low	27.3	Very low	80 Å²	80	133.5 Å²	133.5	56%	0.559	74%	0.742	S	S	*	*			trans	-65.7	105.4	168.9	-63.4	0	0	0	0	108.3	P901 N905	P901-S903 PolarHBondContact O-N 3.25Å; S903-N905 PolarHBondContact O-N 3.13Å
904	I	28.1	Very low	27.7	Very low	160 Å²	160	133.7 Å²	133.7	82%	0.821	74%	0.743	S	S	*	*			trans	-74.1	71.5	173.3	-52	179.3	0	0	0	108.3	V902 T906	V902-I904 HydrophobicContact CG1-CG1 4.44Å; V902-I904 PolarHBondContact O-N 2.65Å; V902-I904 VanDerWaalsContact O-N 3.11Å; I904-T906 PolarHBondContact O-N 3.28Å
905	N	26.6	Very low	27.9	Very low	130 Å²	130	133.3 Å²	133.3	70%	0.695	74%	0.74	S	S	*	*			trans	-72.9	110.4	172.5	-77.3	0.9	0	0	0	108.6	S903 L907	S903-N905 PolarHBondContact O-N 3.13Å; N905-L907 PolarHBondContact O-N 2.64Å
906	T	26.9	Very low	28.1	Very low	127 Å²	127	133.1 Å²	133.1	78%	0.779	73%	0.731	S	S	*	*			trans	31.5	91.9	149.1	54.5	0	0	0	0	115.6	I904 K908	I904-T906 PolarHBondContact O-N 3.28Å; T906-K908 PolarHBondContact O-N 3.48Å
907	L	25.2	Very low	28.5	Very low	164 Å²	164	132.4 Å²	132.4	86%	0.859	72%	0.719	S	S	*	*			trans	-55.3	111.7	163.3	-77.9	165.8	0	0	0	109.2	N905 V909	N905-L907 PolarHBondContact O-N 2.64Å; L907-V909 PolarHBondContact O-N 2.82Å; L907-V909 VanDerWaalsContact O-N 3.15Å
908	K	25.3	Very low	28.9	Very low	166 Å²	166	133.1 Å²	133.1	72%	0.722	72%	0.721	S	S	*	*			trans	-67.1	103.4	163.8	-97.3	-172.3	160	-147.2	0	107.9	T906 E910	T906-K908 PolarHBondContact O-N 3.48Å; K908-E910 VanDerWaalsContact C-N 3.3Å; K908-E910 HydrophobicContact CB-CG 3.97Å; K908-E910 HydrophobicContact CD-CG 4.16Å; K908-E910 VanDerWaalsContact CD-OE1 3.27Å; K908-E910 WeakPolarHBondContact CD-OE1 3.48Å; K908-E910 WeakPolarHBondContact CE-OE1 3.3Å; K908-E910 HydrophobicContact CG-CG 4.41Å; K908-E910 IonicContact NZ-OE1 2.63Å; K908-E910 PolarHBondContact NZ-OE1 3.13Å; K908-E910 PolarHBondContact O-N 3.38Å
909	V	30	Very low	29.8	Very low	123 Å²	123	133.6 Å²	133.6	75%	0.745	71%	0.713	S	S	*	*			trans	-81.3	86.5	164.5	-177	0	0	0	0	106.6	L907 E911	L907-V909 PolarHBondContact O-N 2.82Å; L907-V909 VanDerWaalsContact O-N 3.15Å; V909-E911 PolarHBondContact O-N 3.43Å
910	E	27.2	Very low	30.6	Very low	142 Å²	142	132 Å²	132	66%	0.664	70%	0.7	S	S	*	*			trans	-86.8	39.7	173.9	-64.3	-97.8	-179	0	0	110.4	K908	K908-E910 VanDerWaalsContact C-N 3.3Å; K908-E910 HydrophobicContact CB-CG 3.97Å; K908-E910 HydrophobicContact CD-CG 4.16Å; K908-E910 VanDerWaalsContact CD-OE1 3.27Å; K908-E910 WeakPolarHBondContact CD-OE1 3.48Å; K908-E910 WeakPolarHBondContact CE-OE1 3.3Å; K908-E910 HydrophobicContact CG-CG 4.41Å; K908-E910 IonicContact NZ-OE1 2.63Å; K908-E910 PolarHBondContact NZ-OE1 3.13Å; K908-E910 PolarHBondContact O-N 3.38Å
911	E	33.6	Very low	31.5	Very low	166 Å²	166	131.7 Å²	131.7	78%	0.776	69%	0.693	S	S	*	*	S	Bend	trans	-125.8	107.2	167.3	-70.9	-172.8	167	0	0	106.5	V909	V909-E911 PolarHBondContact O-N 3.43Å
912	E	29.8	Very low	32.4	Very low	182 Å²	182	130.8 Å²	130.8	85%	0.85	69%	0.686	S	S	*	*			trans	-62.4	124.4	175.7	-174.7	169.3	-157.3	0	0	108.3	V914	E912-V914 PolarHBondContact O-N 3.26Å
913	P	33.2	Very low	33.1	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	69%	0.686	S	S	*	*			trans	-66.3	111.7	-172.7	25.9	-33.7	0	0	0	109.2	L915	P913-L915 PolarHBondContact O-N 2.8Å
914	V	36.3	Very low	33.8	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	70%	0.697	S	S	*	*			trans	-55.9	104.7	172.9	178	0	0	0	0	107.6	E912 I916	E912-V914 PolarHBondContact O-N 3.26Å; V914-I916 HydrophobicContact CG1-CG1 4.37Å; V914-I916 PolarHBondContact O-N 3.03Å
915	L	31.9	Very low	34.7	Very low	146 Å²	146	132.5 Å²	132.5	76%	0.764	68%	0.681	S	S	*	*			trans	-76.9	78.1	-177.2	-169.9	82.1	0	0	0	108	P913 R917	P913-L915 PolarHBondContact O-N 2.8Å; L915-R917 WeakPolarHBondContact O-CG 3.39Å; L915-R917 PolarHBondContact O-N 3.11Å
916	I	33.8	Very low	35.6	Very low	117 Å²	117	131.3 Å²	131.3	60%	0.6	68%	0.679	S	S	*	*			trans	-53.4	113.1	174.4	-58.1	170.4	0	0	0	107.1	V914 D920 I921	V914-I916 HydrophobicContact CG1-CG1 4.37Å; V914-I916 PolarHBondContact O-N 3.03Å; I916-D920 HydrophobicContact CG2-CB 4.5Å; I916-I921 HydrophobicContact CG2-CD1 4.05Å; I916-I921 HydrophobicContact CG2-CG1 3.99Å
917	R	37.4	Very low	36.2	Very low	142 Å²	142	132.2 Å²	132.2	54%	0.536	68%	0.679	S	S	.	*			trans	-85.3	149.7	-177.8	-64	-176.8	-66.3	170.7	8.9	108	L915 E919 D920	L915-R917 WeakPolarHBondContact O-CG 3.39Å; L915-R917 PolarHBondContact O-N 3.11Å; R917-E919 HydrophobicContact CB-CG 3.69Å; R917-E919 WeakPolarHBondContact CB-OE1 3.38Å; R917-E919 WeakPolarHBondContact CD-OE1 3.34Å; R917-E919 IonicContact CZ-OE1 3.88Å; R917-E919 IonicContact NE-OE1 2.76Å; R917-E919 PolarHBondContact NE-OE1 3.43Å; R917-E919 IonicContact NH1-OE1 3.72Å; R917-E919 PolarHBondContact NH1-OE1 3.17Å; R917-E919 IonicContact NH2-OE1 3.47Å; R917-E919 PolarHBondContact O-N 3.31Å; R917-E919 VanDerWaalsContact O-N 3.12Å; R917-D920 PolarHBondContact N-OD2 2.92Å; R917-D920 WeakPolarHBondContact O-CB 3.37Å; R917-D920 PolarHBondContact O-N 3.35Å
918	M	34.1	Very low	37.2	Very low	162 Å²	162	129.1 Å²	129.1	80%	0.798	67%	0.667	S	S	*	*	H	α-helix	trans	-63.5	-25	-171.1	-143.3	163.9	-69.9	0	0	112.2	I921 T922	M918-I921 PolarHBondContact O-N 3.36Å; M918-T922 PolarHBondContact O-N 3.42Å; M918-T922 PolarHBondContact O-OG1 3.42Å
919	E	41.7	Very low	38.2	Very low	105 Å²	105	131.6 Å²	131.6	49%	0.491	67%	0.671	S	S	.	*	H	α-helix	trans	-60.1	-39.4	170.6	56.9	-158	157.7	0	0	113.6	R917 I921 T922	R917-E919 HydrophobicContact CB-CG 3.69Å; R917-E919 WeakPolarHBondContact CB-OE1 3.38Å; R917-E919 WeakPolarHBondContact CD-OE1 3.34Å; R917-E919 IonicContact CZ-OE1 3.88Å; R917-E919 IonicContact NE-OE1 2.76Å; R917-E919 PolarHBondContact NE-OE1 3.43Å; R917-E919 IonicContact NH1-OE1 3.72Å; R917-E919 PolarHBondContact NH1-OE1 3.17Å; R917-E919 IonicContact NH2-OE1 3.47Å; R917-E919 PolarHBondContact O-N 3.31Å; R917-E919 VanDerWaalsContact O-N 3.12Å; E919-I921 PolarHBondContact O-N 2.84Å; E919-T922 WeakPolarHBondContact CA-OG1 3.33Å; E919-T922 PolarHBondContact O-N 3.43Å; E919-T922 PolarHBondContact O-OG1 3.11Å
920	D	42.8	Very low	39	Very low	81 Å²	81	130.7 Å²	130.7	43%	0.433	67%	0.668	S	S	.	*	H	α-helix	trans	-68	-22.7	179.7	-51.8	-50.3	0	0	0	112.4	I916 R917	I916-D920 HydrophobicContact CG2-CB 4.5Å; R917-D920 PolarHBondContact N-OD2 2.92Å; R917-D920 WeakPolarHBondContact O-CB 3.37Å; R917-D920 PolarHBondContact O-N 3.35Å
921	I	43.8	Very low	40.5	Very low	106 Å²	106	126.1 Å²	126.1	54%	0.544	65%	0.651	S	S	.	*	H	α-helix	trans	-84.9	-33.4	177.8	-60	172.6	0	0	0	110.6	I916 M918 E919 E923	I916-I921 HydrophobicContact CG2-CD1 4.05Å; I916-I921 HydrophobicContact CG2-CG1 3.99Å; M918-I921 PolarHBondContact O-N 3.36Å; E919-I921 PolarHBondContact O-N 2.84Å; I921-E923 PolarHBondContact O-N 2.84Å
922	T	43.1	Very low	41.7	Very low	81 Å²	81	125.4 Å²	125.4	50%	0.497	65%	0.653	S	S	.	*	H	α-helix	trans	-67	-35.5	-176.7	34.5	0	0	0	0	113.9	M918 E919 Q924 S925	M918-T922 PolarHBondContact O-N 3.42Å; M918-T922 PolarHBondContact O-OG1 3.42Å; E919-T922 WeakPolarHBondContact CA-OG1 3.33Å; E919-T922 PolarHBondContact O-N 3.43Å; E919-T922 PolarHBondContact O-OG1 3.11Å; T922-Q924 VanDerWaalsContact C-N 3.32Å; T922-Q924 PolarHBondContact O-N 3.17Å; T922-S925 PolarHBondContact O-N 3Å; T922-S925 VanDerWaalsContact O-N 3.13Å; T922-S925 PolarHBondContact O-OG 3.22Å
923	E	40.8	Very low	43	Very low	158 Å²	158	119.9 Å²	119.9	74%	0.738	63%	0.631	S	S	*	*	H	α-helix	trans	-61.6	-39	-179.5	-67.3	-163.2	157.5	0	0	112.5	I921 S925 T926	I921-E923 PolarHBondContact O-N 2.84Å; E923-S925 VanDerWaalsContact C-N 3.28Å; E923-S925 PolarHBondContact O-N 3.07Å; E923-T926 PolarHBondContact O-OG1 3.2Å
924	Q	39.1	Very low	44.9	Very low	170 Å²	170	121 Å²	121	79%	0.794	63%	0.631	S	S	*	*	H	α-helix	trans	-70	-22.8	179	-60.7	-172	35.5	0	0	113.3	T922	T922-Q924 VanDerWaalsContact C-N 3.32Å; T922-Q924 PolarHBondContact O-N 3.17Å
925	S	46.4	Very low	46.5	Very low	70 Å²	70	120.8 Å²	120.8	49%	0.49	63%	0.626	S	S	.	*	H	α-helix	trans	-77.8	-17.4	-177.7	72.6	0	0	0	0	114.5	T922 E923 N927 V928	T922-S925 PolarHBondContact O-N 3Å; T922-S925 VanDerWaalsContact O-N 3.13Å; T922-S925 PolarHBondContact O-OG 3.22Å; E923-S925 VanDerWaalsContact C-N 3.28Å; E923-S925 PolarHBondContact O-N 3.07Å; S925-N927 PolarHBondContact O-N 3.06Å; S925-N927 VanDerWaalsContact O-N 3.15Å; S925-V928 WeakPolarHBondContact O-CG2 3.41Å; S925-V928 PolarHBondContact O-N 3.12Å
926	T	44.3	Very low	48.1	Very low	105 Å²	105	118 Å²	118	64%	0.644	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-8.3	-173.6	59.6	0	0	0	0	115.3	E923	E923-T926 PolarHBondContact O-OG1 3.2Å
927	N	40.6	Very low	49.9	Very low	146 Å²	146	115.4 Å²	115.4	78%	0.781	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	19.1	-178.1	-81.5	-95.8	0	0	0	113.7	S925 R929	S925-N927 PolarHBondContact O-N 3.06Å; S925-N927 VanDerWaalsContact O-N 3.15Å; N927-R929 PolarHBondContact O-N 3.1Å; N927-R929 VanDerWaalsContact O-N 3.15Å
928	V	45.3	Very low	51.6	Low	100 Å²	100	112.2 Å²	112.2	61%	0.606	60%	0.595	S	S	*	*			trans	-74.6	102.2	173.8	179.9	0	0	0	0	110	S925	S925-V928 WeakPolarHBondContact O-CG2 3.41Å; S925-V928 PolarHBondContact O-N 3.12Å
929	R	46.9	Very low	53.4	Low	218 Å²	218	108.3 Å²	108.3	82%	0.823	58%	0.577	S	S	*	*			trans	-62.2	150.3	166.5	-104.1	-174	173	-165.3	-2.8	110.8	N927 C931	N927-R929 PolarHBondContact O-N 3.1Å; N927-R929 VanDerWaalsContact O-N 3.15Å; R929-C931 PolarHBondContact O-N 3.19Å
930	P	46	Very low	54.7	Low	104 Å²	104	106.5 Å²	106.5	68%	0.675	58%	0.575	S	S	*	*			trans	-53.1	137.3	173.8	-26.6	35.3	0	0	0	112.7
931	C	59.8	Low	56.2	Low	45 Å²	45	108.5 Å²	108.5	30%	0.304	58%	0.584	S	S	.	*			trans	-96.1	99.1	-179.9	-60.9	0	0	0	0	110.9	R929 T933 Q936 V937	R929-C931 PolarHBondContact O-N 3.19Å; C931-T933 PolarHBondContact O-N 2.86Å; C931-Q936 HydrophobicContact CB-CB 3.87Å; C931-V937 HydrophobicContact CB-CG2 3.76Å
932	D	57.5	Low	57.3	Low	151 Å²	151	110.2 Å²	110.2	81%	0.807	60%	0.595	S	S	*	*			trans	-70.6	-10.1	-175.6	-62.8	-38.6	0	0	0	114.1
933	T	57.2	Low	58.4	Low	66 Å²	66	115.6 Å²	115.6	41%	0.405	61%	0.611	S	S	.	*	S	Bend	trans	-132.8	147.9	-179.2	69.2	0	0	0	0	113.4	C931 D935 Q936 V937	C931-T933 PolarHBondContact O-N 2.86Å; T933-D935 PolarHBondContact O-N 3.26Å; T933-Q936 WeakPolarHBondContact O-CB 3.49Å; T933-Q936 PolarHBondContact O-N 3.1Å; T933-Q936 WeakPolarHBondContact OG1-CG 3.36Å; T933-V937 PolarHBondContact O-N 3.14Å
934	N	73.6	Confident	59.3	Low	137 Å²	137	113.5 Å²	113.5	73%	0.733	61%	0.605	S	S	*	*	H	α-helix	trans	-58.8	-30.3	179.3	-67.5	-75.4	0	0	0	113	V937 T938	N934-V937 WeakPolarHBondContact O-CB 3.02Å; N934-V937 PolarHBondContact O-N 3.07Å; N934-T938 PolarHBondContact O-N 3.01Å; N934-T938 PolarHBondContact O-OG1 3.25Å
935	D	70.9	Confident	60.4	Low	126 Å²	126	110.5 Å²	110.5	67%	0.674	60%	0.595	S	S	*	*	H	α-helix	trans	-70.7	-35.9	-178.1	-53.3	-45.1	0	0	0	111.3	T933 T938 D939	T933-D935 PolarHBondContact O-N 3.26Å; D935-T938 WeakPolarHBondContact CA-OG1 3.5Å; D935-T938 PolarHBondContact O-N 3.32Å; D935-T938 PolarHBondContact O-OG1 2.79Å; D935-D939 PolarHBondContact O-N 2.97Å
936	Q	65.5	Low	61.1	Low	87 Å²	87	112.8 Å²	112.8	41%	0.407	60%	0.601	S	S	.	*	H	α-helix	trans	-66.1	-38.7	169	-68.6	171.4	-2.6	0	0	111.4	C931 T933 T938 D939 C940	C931-Q936 HydrophobicContact CB-CB 3.87Å; T933-Q936 WeakPolarHBondContact O-CB 3.49Å; T933-Q936 PolarHBondContact O-N 3.1Å; T933-Q936 WeakPolarHBondContact OG1-CG 3.36Å; Q936-T938 VanDerWaalsContact C-N 3.3Å; Q936-T938 PolarHBondContact O-N 3.11Å; Q936-D939 PolarHBondContact O-N 3.26Å; Q936-C940 WeakPolarHBondContact O-CB 3.36Å; Q936-C940 PolarHBondContact O-N 3.17Å
937	V	71.5	Confident	62.1	Low	64 Å²	64	113.2 Å²	113.2	39%	0.388	60%	0.599	S	S	.	*	H	α-helix	trans	-63.9	-34.4	176	177.3	0	0	0	0	111.7	C931 T933 N934 I941	C931-V937 HydrophobicContact CB-CG2 3.76Å; T933-V937 PolarHBondContact O-N 3.14Å; N934-V937 WeakPolarHBondContact O-CB 3.02Å; N934-V937 PolarHBondContact O-N 3.07Å; V937-I941 HydrophobicContact CG1-CD1 3.96Å; V937-I941 VanDerWaalsContact O-CD1 3.31Å; V937-I941 WeakPolarHBondContact O-CD1 3.25Å; V937-I941 WeakPolarHBondContact O-CG1 3.41Å; V937-I941 PolarHBondContact O-N 3.04Å
938	T	73.6	Confident	63.5	Low	74 Å²	74	111.2 Å²	111.2	45%	0.454	59%	0.587	S	S	.	*	H	α-helix	trans	-70.7	-44.2	170.9	36.6	0	0	0	0	112.9	N934 D935 Q936 C940 I941 D942	N934-T938 PolarHBondContact O-N 3.01Å; N934-T938 PolarHBondContact O-OG1 3.25Å; D935-T938 WeakPolarHBondContact CA-OG1 3.5Å; D935-T938 PolarHBondContact O-N 3.32Å; D935-T938 PolarHBondContact O-OG1 2.79Å; Q936-T938 VanDerWaalsContact C-N 3.3Å; Q936-T938 PolarHBondContact O-N 3.11Å; T938-C940 PolarHBondContact O-N 3.46Å; T938-I941 PolarHBondContact O-N 3.24Å; T938-D942 PolarHBondContact O-N 3.04Å
939	D	71.6	Confident	64.7	Low	80 Å²	80	111.9 Å²	111.9	43%	0.428	59%	0.586	S	S	.	*	H	α-helix	trans	-64.2	-25.7	177.4	179.8	65.3	0	0	0	112.8	D935 Q936 K943	D935-D939 PolarHBondContact O-N 2.97Å; Q936-D939 PolarHBondContact O-N 3.26Å; D939-K943 VanDerWaalsContact O-CD 3.25Å; D939-K943 WeakPolarHBondContact O-CD 3.49Å; D939-K943 VanDerWaalsContact O-CG 3.25Å; D939-K943 WeakPolarHBondContact O-CG 3.25Å; D939-K943 VanDerWaalsContact OD1-CE 3.31Å; D939-K943 WeakPolarHBondContact OD1-CE 3.41Å; D939-K943 IonicContact OD1-NZ 3.15Å; D939-K943 PolarHBondContact OD1-NZ 2.77Å; D939-K943 VanDerWaalsContact OD1-NZ 3.08Å; D939-K943 IonicContact OD2-NZ 3.87Å; D939-K943 PolarHBondContact OD2-NZ 2.84Å
940	C	67.4	Low	65.9	Low	67 Å²	67	104.4 Å²	104.4	45%	0.453	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.2	4.4	169.7	-74.9	0	0	0	0	115.1	Q936 T938	Q936-C940 WeakPolarHBondContact O-CB 3.36Å; Q936-C940 PolarHBondContact O-N 3.17Å; T938-C940 PolarHBondContact O-N 3.46Å
941	I	74.5	Confident	67.5	Low	123 Å²	123	104.4 Å²	104.4	63%	0.631	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-27.3	171.5	-73.1	168.9	0	0	0	111	V937 T938 K943	V937-I941 HydrophobicContact CG1-CD1 3.96Å; V937-I941 VanDerWaalsContact O-CD1 3.31Å; V937-I941 WeakPolarHBondContact O-CD1 3.25Å; V937-I941 WeakPolarHBondContact O-CG1 3.41Å; V937-I941 PolarHBondContact O-N 3.04Å; T938-I941 PolarHBondContact O-N 3.24Å; I941-K943 VanDerWaalsContact C-N 3.3Å
942	D	67.9	Low	68.1	Low	142 Å²	142	109.3 Å²	109.3	76%	0.759	58%	0.582	S	S	*	*			trans	-83.9	-3.8	174.4	-66.1	-28.6	0	0	0	113	T938	T938-D942 PolarHBondContact O-N 3.04Å
943	K	66.1	Low	69.1	Low	195 Å²	195	105.5 Å²	105.5	85%	0.848	56%	0.562	S	S	*	*			trans	-104.7	0	171.7	-75.2	171.9	-174.6	157.7	0	111.3	D939 I941	D939-K943 VanDerWaalsContact O-CD 3.25Å; D939-K943 WeakPolarHBondContact O-CD 3.49Å; D939-K943 VanDerWaalsContact O-CG 3.25Å; D939-K943 WeakPolarHBondContact O-CG 3.25Å; D939-K943 VanDerWaalsContact OD1-CE 3.31Å; D939-K943 WeakPolarHBondContact OD1-CE 3.41Å; D939-K943 IonicContact OD1-NZ 3.15Å; D939-K943 PolarHBondContact OD1-NZ 2.77Å; D939-K943 VanDerWaalsContact OD1-NZ 3.08Å; D939-K943 IonicContact OD2-NZ 3.87Å; D939-K943 PolarHBondContact OD2-NZ 2.84Å; I941-K943 VanDerWaalsContact C-N 3.3Å

Retrieved 943 of 943 residues in 486.1 ms (Link to these results)

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