A0A3Q0KK50_SCHMA Loading...

PWWP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KK50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 671 aa.

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(Predicted Aligned Error values between residue pairs)

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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	42.5	Very low	42.3	Very low	247 Å²	247	167.5 Å²	167.5	100%	1.217	87%	0.87	S	S	*	*				0	149.6	0	-72.9	157.8	162	0	0	108.4
2	K	39	Very low	41.7	Very low	197 Å²	197	160.8 Å²	160.8	86%	0.857	85%	0.848	S	S	*	*			trans	-126	137.7	171.6	-69.1	-177.2	177.3	-177.2	0	108.1
3	P	53.8	Low	41.3	Very low	130 Å²	130	161.2 Å²	161.2	84%	0.844	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-69.3	146.4	160.5	31.3	-32.5	0	0	0	109.4
4	L	47.5	Very low	40.8	Very low	164 Å²	164	163.9 Å²	163.9	86%	0.859	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-91.1	138.6	173.3	-76	161.4	0	0	0	109.5
5	Q	37.6	Very low	40.6	Very low	190 Å²	190	159.7 Å²	159.7	89%	0.888	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-81.4	145.8	156.8	-71.7	178.2	-56.1	0	0	108.7
6	L	47.4	Very low	40.1	Very low	168 Å²	168	159.8 Å²	159.8	88%	0.88	82%	0.824	S	S	*	*			trans	-127.3	111.2	164.1	-74.7	174.6	0	0	0	108.5
7	S	40.9	Very low	40	Very low	100 Å²	100	157.6 Å²	157.6	70%	0.699	83%	0.827	S	S	*	*			trans	-95.1	129	167	49.8	0	0	0	0	108.8
8	N	42.6	Very low	39.6	Very low	168 Å²	168	156.9 Å²	156.9	90%	0.898	82%	0.824	S	S	*	*			trans	-110.9	115.2	162.6	-86.6	-9.7	0	0	0	108.3
9	E	41.5	Very low	39.5	Very low	165 Å²	165	155.5 Å²	155.5	77%	0.771	82%	0.822	S	S	*	*			trans	-100.3	163.2	170.7	-59.4	-175	148	0	0	110.2
10	N	35.9	Very low	39.5	Very low	133 Å²	133	155.7 Å²	155.7	71%	0.711	82%	0.823	S	S	*	*			trans	58.7	112.7	164.2	-63.6	-61.8	0	0	0	118.1
11	L	36.3	Very low	39.3	Very low	180 Å²	180	156.2 Å²	156.2	94%	0.942	82%	0.821	S	S	*	*				-138.4	135.9	107.1	-100.6	173.7	0	0	0	108.7
12	S	35	Very low	39.2	Very low	88 Å²	88	150.4 Å²	150.4	62%	0.615	80%	0.804	S	S	*	*			trans	-110.1	167	-171.9	54.5	0	0	0	0	112.4
13	E	36.7	Very low	39.1	Very low	165 Å²	165	148 Å²	148	77%	0.771	80%	0.801	S	S	*	*			trans	66.5	102.8	147	-169.7	169.8	-148.9	0	0	118.1
14	F	34.3	Very low	38.5	Very low	199 Å²	199	147.3 Å²	147.3	87%	0.873	80%	0.799	S	S	*	*			trans	-148.8	103.7	131.5	-127.5	-80.4	0	0	0	113.6
15	V	38.3	Very low	38.1	Very low	101 Å²	101	142.1 Å²	142.1	61%	0.612	79%	0.786	S	S	*	*			trans	28.4	113.1	149.1	-168	0	0	0	0	120.2
16	Q	32.2	Very low	38.2	Very low	161 Å²	161	140.7 Å²	140.7	75%	0.752	78%	0.784	S	S	*	*			trans	3.6	136.6	143.6	-65.3	172.5	-33.7	0	0	120.5
17	S	38.3	Very low	37.8	Very low	124 Å²	124	137.9 Å²	137.9	87%	0.867	78%	0.777	S	S	*	*			trans	-148.9	112.5	142.6	-77.8	0	0	0	0	109.8
18	N	33.3	Very low	37.5	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	78%	0.784	S	S	*	*			trans	-78.6	131.7	-176.5	-62.1	-11.5	0	0	0	111.3
19	T	37.2	Very low	37.3	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	77%	0.774	S	S	*	*			trans	-153.9	117.7	150.6	-50.9	0	0	0	0	111.8
20	L	40.4	Very low	37.3	Very low	159 Å²	159	135.5 Å²	135.5	83%	0.832	77%	0.773	S	S	*	*			trans	50.3	130.2	166.8	-99.7	69.4	0	0	0	120.9
21	E	35.4	Very low	37.3	Very low	167 Å²	167	136.3 Å²	136.3	78%	0.78	78%	0.777	S	S	*	*			trans	-72.1	157.7	163.1	-56.4	112	125.4	0	0	113
22	S	40.5	Very low	37.4	Very low	125 Å²	125	133.3 Å²	133.3	87%	0.874	77%	0.766	S	S	*	*			trans	-146.2	80	149.1	-73.8	0	0	0	0	106.6
23	D	36.8	Very low	37.4	Very low	148 Å²	148	138.3 Å²	138.3	79%	0.791	77%	0.773	S	S	*	*			trans	-72.1	133.4	176.5	-170.1	4.4	0	0	0	109.9	G25	D23-G25 PolarHBondContact OD1-N 3.4Å; D23-G25 VanDerWaalsContact OD1-N 3.16Å
24	S	40	Very low	37.5	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	77%	0.772	S	S	*	*			trans	-156.2	48.1	170.4	76.8	0	0	0	0	110.7
25	G	39.9	Very low	37.6	Very low	56 Å²	56	137 Å²	137	58%	0.577	77%	0.767	S	S	*	*			trans	-63.8	126.1	147.2	0	0	0	0	0	108.7	D23	D23-G25 PolarHBondContact OD1-N 3.4Å; D23-G25 VanDerWaalsContact OD1-N 3.16Å
26	D	38.7	Very low	37.8	Very low	159 Å²	159	140.6 Å²	140.6	85%	0.85	78%	0.777	S	S	*	*				-167.8	161.3	109.9	-112.9	-22	0	0	0	115.5
27	C	39.5	Very low	38.3	Very low	110 Å²	110	142.1 Å²	142.1	74%	0.743	78%	0.784	S	S	*	*			trans	-35.8	142.4	-174.4	-59.1	0	0	0	0	118.8	G29	C27-G29 VanDerWaalsContact C-N 3.33Å; C27-G29 PolarHBondContact O-N 3.34Å
28	F	35.7	Very low	38.6	Very low	193 Å²	193	139.2 Å²	139.2	85%	0.846	78%	0.775	S	S	*	*			trans	-62.5	90.4	155.4	-76.5	-92.3	0	0	0	110.6	V30	F28-V30 PolarHBondContact O-N 3.16Å; F28-V30 VanDerWaalsContact O-N 3.13Å
29	G	37.1	Very low	39.1	Very low	66 Å²	66	141.2 Å²	141.2	68%	0.68	78%	0.779	S	S	*	*			trans	-64.8	106.7	169.9	0	0	0	0	0	111	C27 N31	C27-G29 VanDerWaalsContact C-N 3.33Å; C27-G29 PolarHBondContact O-N 3.34Å; G29-N31 PolarHBondContact O-N 3.08Å
30	V	41.4	Very low	39.5	Very low	123 Å²	123	142.7 Å²	142.7	75%	0.745	78%	0.782	S	S	*	*			trans	-72.3	110.2	172.7	179.9	0	0	0	0	108.3	F28 V32	F28-V30 PolarHBondContact O-N 3.16Å; F28-V30 VanDerWaalsContact O-N 3.13Å; V30-V32 HydrophobicContact CG1-CG2 4.14Å; V30-V32 PolarHBondContact O-N 3.3Å
31	N	36.1	Very low	39.7	Very low	150 Å²	150	141.4 Å²	141.4	80%	0.802	78%	0.775	S	S	*	*			trans	-68	80.7	173.5	-84.5	-11.5	0	0	0	111.1	G29 Y33	G29-N31 PolarHBondContact O-N 3.08Å; N31-Y33 PolarHBondContact O-N 2.63Å
32	V	39	Very low	40	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.715	78%	0.78	S	S	*	*			trans	-71.4	102.7	161.6	179.8	0	0	0	0	107.1	V30 E34	V30-V32 HydrophobicContact CG1-CG2 4.14Å; V30-V32 PolarHBondContact O-N 3.3Å; V32-E34 VanDerWaalsContact C-N 3.27Å; V32-E34 PolarHBondContact O-N 2.72Å
33	Y	34.1	Very low	40	Very low	192 Å²	192	141.6 Å²	141.6	75%	0.753	77%	0.774	S	S	*	*			trans	-76.5	81.1	177.3	-130.3	-80.1	0	0	0	109.8	N31 F35	N31-Y33 PolarHBondContact O-N 2.63Å; Y33-F35 HydrophobicContact CD1-CD2 4.49Å; Y33-F35 HydrophobicContact CD1-CE2 4.14Å; Y33-F35 PolarHBondContact O-N 3.05Å
34	E	39.9	Very low	40.3	Very low	161 Å²	161	140.6 Å²	140.6	75%	0.752	78%	0.775	S	S	*	*			trans	-68.3	113.1	170.6	-175.1	170.1	-156.3	0	0	109.4	V32 Q36	V32-E34 VanDerWaalsContact C-N 3.27Å; V32-E34 PolarHBondContact O-N 2.72Å; E34-Q36 PolarHBondContact O-N 3.34Å; E34-Q36 VanDerWaalsContact O-N 3.13Å
35	F	35.5	Very low	40.2	Very low	176 Å²	176	146.4 Å²	146.4	77%	0.772	78%	0.779	S	S	*	*			trans	-78.4	94.8	174.4	-88.1	-94.4	0	0	0	109.6	Y33 E37	Y33-F35 HydrophobicContact CD1-CD2 4.49Å; Y33-F35 HydrophobicContact CD1-CE2 4.14Å; Y33-F35 PolarHBondContact O-N 3.05Å; F35-E37 PolarHBondContact O-N 2.89Å
36	Q	42.5	Very low	40.1	Very low	176 Å²	176	149 Å²	149	82%	0.822	80%	0.795	S	S	*	*			trans	-58.2	123.6	163	-76	-177.2	-20	0	0	109.7	E34 G38	E34-Q36 PolarHBondContact O-N 3.34Å; E34-Q36 VanDerWaalsContact O-N 3.13Å; Q36-G38 VanDerWaalsContact C-N 3.28Å; Q36-G38 PolarHBondContact O-N 2.91Å
37	E	43.1	Very low	40.6	Very low	193 Å²	193	152.4 Å²	152.4	90%	0.902	80%	0.796	S	S	*	*			trans	-74.3	82.2	171.1	-68.3	-164.6	128.5	0	0	109.8	F35 E39	F35-E37 PolarHBondContact O-N 2.89Å; E37-E39 PolarHBondContact O-N 3.24Å
38	G	45.6	Very low	40.6	Very low	64 Å²	64	150.7 Å²	150.7	66%	0.66	80%	0.797	S	S	*	*			trans	-66.9	115.8	174.1	0	0	0	0	0	111.9	Q36 D40	Q36-G38 VanDerWaalsContact C-N 3.28Å; Q36-G38 PolarHBondContact O-N 2.91Å; G38-D40 PolarHBondContact O-N 2.98Å
39	E	42.3	Very low	40.8	Very low	185 Å²	185	152.6 Å²	152.6	86%	0.864	80%	0.8	S	S	*	*			trans	-73.7	61.4	177.4	-66.4	-164.4	110.1	0	0	113.2	E37 L41	E37-E39 PolarHBondContact O-N 3.24Å; E39-L41 WeakPolarHBondContact O-CD1 3.46Å; E39-L41 PolarHBondContact O-N 3.3Å; E39-L41 VanDerWaalsContact O-N 3.15Å
40	D	45.9	Very low	41.3	Very low	161 Å²	161	158.4 Å²	158.4	86%	0.861	81%	0.81	S	S	*	*			trans	-75.2	102.5	175.5	-95.9	-30	0	0	0	111.8	G38	G38-D40 PolarHBondContact O-N 2.98Å
41	L	44.9	Very low	41.8	Very low	132 Å²	132	161 Å²	161	69%	0.691	81%	0.811	S	S	*	*			trans	-65.6	151	171	-78.6	73.5	0	0	0	111.4	E39	E39-L41 WeakPolarHBondContact O-CD1 3.46Å; E39-L41 PolarHBondContact O-N 3.3Å; E39-L41 VanDerWaalsContact O-N 3.15Å
42	Y	42.4	Very low	42.4	Very low	226 Å²	226	159 Å²	159	89%	0.886	81%	0.806	S	S	*	*			trans	80	52.4	170.8	-54.7	-81	0	0	0	119.2
43	G	38.7	Very low	42.9	Very low	71 Å²	71	162.4 Å²	162.4	73%	0.732	81%	0.811	S	S	*	*			trans	-133.8	105	166.5	0	0	0	0	0	115.1	R45	G43-R45 PolarHBondContact O-N 2.9Å
44	P	43.5	Very low	43.8	Very low	126 Å²	126	160.3 Å²	160.3	82%	0.818	81%	0.808	S	S	*	*			trans	-92	101.6	-167.1	33.4	-34.7	0	0	0	115.2
45	R	38.1	Very low	44.1	Very low	236 Å²	236	159.2 Å²	159.2	89%	0.891	80%	0.804	S	S	*	*			trans	-174.2	78.1	140.5	-105.7	164.7	-167.4	174.5	7.7	114.7	G43 R47	G43-R45 PolarHBondContact O-N 2.9Å; R45-R47 PolarHBondContact O-N 3.15Å; R45-R47 VanDerWaalsContact O-N 3.12Å
46	A	38.6	Very low	44.4	Very low	110 Å²	110	161.8 Å²	161.8	91%	0.909	81%	0.809	S	S	*	*			trans	-64.3	110.7	159.1	0	0	0	0	0	110.3
47	R	49	Very low	44.6	Very low	232 Å²	232	160 Å²	160	88%	0.875	80%	0.802	S	S	*	*			trans	-113.9	101.1	161.8	-91.4	-170.2	166.5	-170.2	-4.4	108	R45	R45-R47 PolarHBondContact O-N 3.15Å; R45-R47 VanDerWaalsContact O-N 3.12Å
48	G	40.2	Very low	45	Very low	73 Å²	73	153.9 Å²	153.9	75%	0.753	79%	0.785	S	S	*	*			trans	-60.1	145.2	-169.4	0	0	0	0	0	114.7	Q50	G48-Q50 PolarHBondContact O-N 3.02Å
49	Y	39.6	Very low	45	Very low	234 Å²	234	158.3 Å²	158.3	92%	0.918	79%	0.786	S	S	*	*			trans	-69.5	87.4	175	-87.4	-106	0	0	0	111.5	K51	Y49-K51 PolarHBondContact O-N 2.91Å
50	Q	46.5	Very low	45.5	Very low	188 Å²	188	155 Å²	155	88%	0.879	77%	0.774	S	S	*	*			trans	-75.7	94	171.5	-167.7	162.4	6.3	0	0	110.3	G48	G48-Q50 PolarHBondContact O-N 3.02Å
51	K	52.2	Low	45.8	Very low	178 Å²	178	154 Å²	154	77%	0.774	77%	0.765	S	S	*	*			trans	-51.5	125.6	-178.1	-65.3	-179	179.3	179.3	0	111.2	Y49 K53	Y49-K51 PolarHBondContact O-N 2.91Å; K51-K53 PolarHBondContact O-N 2.91Å
52	P	47.9	Very low	46.2	Very low	108 Å²	108	151 Å²	151	70%	0.701	76%	0.758	S	S	*	*			trans	-77.3	46.6	-174.8	32.1	-37	0	0	0	114	H54	P52-H54 PolarHBondContact O-N 3.43Å; P52-H54 VanDerWaalsContact O-N 3.17Å
53	K	50.9	Low	46.6	Very low	188 Å²	188	146.9 Å²	146.9	82%	0.817	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-3.9	-172.1	-154	175.7	-179.7	-178.5	0	114.9	K51	K51-K53 PolarHBondContact O-N 2.91Å
54	H	52.2	Low	47.1	Very low	148 Å²	148	149 Å²	149	69%	0.685	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	-10.7	-175.8	-67.9	-89.4	0	0	0	115.1	P52 W56	P52-H54 PolarHBondContact O-N 3.43Å; P52-H54 VanDerWaalsContact O-N 3.17Å; H54-W56 VanDerWaalsContact C-N 3.31Å; H54-W56 PolarHBondContact O-N 3.44Å
55	M	47.1	Very low	47	Very low	138 Å²	138	148.9 Å²	148.9	68%	0.68	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-16.4	-169.6	-164.1	164.7	66.4	0	0	114.2
56	W	40.2	Very low	47.2	Very low	230 Å²	230	144.8 Å²	144.8	87%	0.871	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-35.6	178.4	-69.1	-19.6	0	0	0	113.7	H54 A58 K59	H54-W56 VanDerWaalsContact C-N 3.31Å; H54-W56 PolarHBondContact O-N 3.44Å; W56-A58 VanDerWaalsContact C-N 3.26Å; W56-A58 PolarHBondContact O-N 2.93Å; W56-K59 PolarHBondContact O-N 3.42Å
57	M	47.5	Very low	47.1	Very low	139 Å²	139	147.4 Å²	147.4	69%	0.685	73%	0.727	S	S	*	*	H	α-helix	trans	-71	-20.6	176.7	-59.6	-155.1	-53.6	0	0	113.6	K59	M57-K59 VanDerWaalsContact C-N 3.28Å; M57-K59 PolarHBondContact O-N 3.11Å
58	A	50.8	Low	46.3	Very low	65 Å²	65	141.7 Å²	141.7	54%	0.537	72%	0.723	S	S	.	*	H	α-helix	trans	-72	-18.4	-179.8	0	0	0	0	0	113.7	W56	W56-A58 VanDerWaalsContact C-N 3.26Å; W56-A58 PolarHBondContact O-N 2.93Å
59	K	47.4	Very low	46	Very low	157 Å²	157	145.1 Å²	145.1	68%	0.683	72%	0.724	S	S	*	*	H	α-helix	trans	-80	-37.4	-175	-164.1	175	-179.4	-174.9	0	112.9	W56 M57 A62	W56-K59 PolarHBondContact O-N 3.42Å; M57-K59 VanDerWaalsContact C-N 3.28Å; M57-K59 PolarHBondContact O-N 3.11Å; K59-A62 WeakPolarHBondContact O-CB 3.48Å; K59-A62 PolarHBondContact O-N 3.43Å
60	D	51.9	Low	45.8	Very low	115 Å²	115	138.8 Å²	138.8	62%	0.615	71%	0.714	S	S	*	*	H	α-helix	trans	-83	-23.5	-174.7	-56	-33	0	0	0	112.3	A62 T64	D60-A62 VanDerWaalsContact C-N 3.33Å; D60-T64 PolarHBondContact O-OG1 2.89Å
61	Q	53	Low	45.5	Very low	141 Å²	141	135.9 Å²	135.9	66%	0.659	71%	0.711	S	S	*	*	S	Bend	trans	-76	-18.1	169.2	-64.8	-166.1	0.4	0	0	113.5	L63 T64	Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 2.96Å; Q61-T64 PolarHBondContact O-OG1 2.98Å
62	A	51.5	Low	44.7	Very low	67 Å²	67	133.4 Å²	133.4	55%	0.554	71%	0.711	S	S	*	*	S	Bend	trans	-73.4	-22.2	177.9	0	0	0	0	0	113.3	K59 D60	K59-A62 WeakPolarHBondContact O-CB 3.48Å; K59-A62 PolarHBondContact O-N 3.43Å; D60-A62 VanDerWaalsContact C-N 3.33Å
63	L	52.2	Low	44.3	Very low	140 Å²	140	133.7 Å²	133.7	73%	0.733	71%	0.713	S	S	*	*	S	Bend	trans	-92.7	-9.7	-179.5	-69.1	172	0	0	0	113.9	Q61	Q61-L63 VanDerWaalsContact C-N 3.31Å; Q61-L63 PolarHBondContact O-N 2.96Å
64	T	49.3	Very low	43.6	Very low	115 Å²	115	129.3 Å²	129.3	71%	0.706	71%	0.712	S	S	*	*	S	Bend	trans	-108.8	0.9	-175.4	44	0	0	0	0	113.7	D60 Q61	D60-T64 PolarHBondContact O-OG1 2.89Å; Q61-T64 PolarHBondContact O-OG1 2.98Å
65	N	40.2	Very low	42.6	Very low	124 Å²	124	128.7 Å²	128.7	66%	0.663	72%	0.719	S	S	*	*			trans	-127.7	34.2	-171.5	-143.6	-17.2	0	0	0	113.8	K67	N65-K67 PolarHBondContact O-N 3.06Å
66	I	43.7	Very low	42.3	Very low	151 Å²	151	128.4 Å²	128.4	77%	0.774	73%	0.725	S	S	*	*			trans	-75.7	72.4	170.5	-52.6	-179.2	0	0	0	108.7
67	K	36.3	Very low	41.9	Very low	164 Å²	164	123.2 Å²	123.2	71%	0.713	72%	0.719	S	S	*	*			trans	-71.5	132.6	176.7	-169.9	169.1	-178.1	174.6	0	110.2	N65 N69	N65-K67 PolarHBondContact O-N 3.06Å; K67-N69 PolarHBondContact O-N 3.19Å
68	S	31.9	Very low	41.5	Very low	112 Å²	112	124.3 Å²	124.3	78%	0.783	73%	0.727	S	S	*	*			trans	-67.6	95.1	-173.4	55	0	0	0	0	113.1
69	N	34.6	Very low	40.8	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	73%	0.73	S	S	*	*			trans	-106.8	93.3	168.8	-77	-3.5	0	0	0	109.8	K67	K67-N69 PolarHBondContact O-N 3.19Å
70	S	35.1	Very low	40.3	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	74%	0.738	S	S	*	*			trans	-72.9	129.6	173.2	49.6	0	0	0	0	111.2	T72	S70-T72 PolarHBondContact O-N 3.22Å
71	P	40	Very low	39.5	Very low	126 Å²	126	126.3 Å²	126.3	82%	0.818	75%	0.745	S	S	*	*			trans	-77.4	105.2	172.5	30.4	-32	0	0	0	110.4
72	T	36	Very low	38.8	Very low	126 Å²	126	122.7 Å²	122.7	77%	0.773	75%	0.746	S	S	*	*			trans	-66.2	127.9	170.4	-22.6	0	0	0	0	109.7	S70 A74	S70-T72 PolarHBondContact O-N 3.22Å; T72-A74 PolarHBondContact O-N 2.79Å
73	P	39.2	Very low	38.3	Very low	115 Å²	115	127 Å²	127	75%	0.747	76%	0.759	S	S	*	*			trans	-70.8	122.3	174.5	28.4	-32.8	0	0	0	109.9	T75	P73-T75 PolarHBondContact O-N 3.13Å
74	A	36.3	Very low	37.6	Very low	96 Å²	96	125.9 Å²	125.9	79%	0.793	76%	0.762	S	S	*	*			trans	-80.6	112.7	176.9	0	0	0	0	0	110.5	T72 T76	T72-A74 PolarHBondContact O-N 2.79Å; A74-T76 PolarHBondContact O-N 2.93Å
75	T	30.4	Very low	37.2	Very low	134 Å²	134	125.7 Å²	125.7	82%	0.822	76%	0.764	S	S	*	*			trans	-71.6	123.4	176.4	-45.6	0	0	0	0	111	P73	P73-T75 PolarHBondContact O-N 3.13Å
76	T	41	Very low	37.2	Very low	133 Å²	133	125.3 Å²	125.3	82%	0.816	77%	0.766	S	S	*	*			trans	-130.6	113.2	165.3	51.6	0	0	0	0	111	A74	A74-T76 PolarHBondContact O-N 2.93Å
77	T	32.4	Very low	36.9	Very low	120 Å²	120	123.6 Å²	123.6	74%	0.736	76%	0.763	S	S	*	*			trans	-60	143.1	-176.3	-43.4	0	0	0	0	114.7
78	L	38.4	Very low	37.1	Very low	163 Å²	163	123.8 Å²	123.8	85%	0.853	77%	0.766	S	S	*	*			trans	172	142.4	145.4	-93.4	149.9	0	0	0	108.8
79	D	35.4	Very low	37.4	Very low	113 Å²	113	124.9 Å²	124.9	60%	0.604	76%	0.763	S	S	*	*			cis	-161.9	172.5	-41.1	-157	-10.9	0	0	0	107.5
80	F	37.7	Very low	37.7	Very low	191 Å²	191	121.2 Å²	121.2	84%	0.838	76%	0.76	S	S	*	*			trans	67.5	135	178.6	-43.9	-80	0	0	0	116.1
81	G	35.1	Very low	38	Very low	75 Å²	75	123.8 Å²	123.8	77%	0.773	77%	0.765	S	S	*	*			cis	169.9	149.3	-8.4	0	0	0	0	0	112.8
82	G	38.5	Very low	38.1	Very low	65 Å²	65	124.2 Å²	124.2	67%	0.67	77%	0.766	S	S	*	*			trans	81.6	142.3	174.9	0	0	0	0	0	115.6
83	D	40.5	Very low	38.2	Very low	156 Å²	156	122.7 Å²	122.7	83%	0.834	76%	0.76	S	S	*	*			cis	-156	158.8	-8.9	-90.7	-49.1	0	0	0	110.5
84	C	37.5	Very low	38.3	Very low	117 Å²	117	123.6 Å²	123.6	79%	0.791	76%	0.763	S	S	*	*			trans	44.8	153.3	155.5	68.1	0	0	0	0	121.7
85	C	40.8	Very low	38.7	Very low	112 Å²	112	124.5 Å²	124.5	76%	0.757	76%	0.761	S	S	*	*			cis	-176.3	167.5	-15.3	-96.9	0	0	0	0	106.1
86	T	39.7	Very low	39.5	Very low	116 Å²	116	124.1 Å²	124.1	71%	0.712	76%	0.761	S	S	*	*			cis	-176.6	151.8	-15.7	30.2	0	0	0	0	107
87	T	39	Very low	39.5	Very low	114 Å²	114	121.1 Å²	121.1	70%	0.699	76%	0.757	S	S	*	*			cis	-174.6	153.5	-21.6	21.5	0	0	0	0	108
88	Q	39.7	Very low	39.9	Very low	168 Å²	168	122.5 Å²	122.5	79%	0.785	76%	0.759	S	S	*	*			trans	68.2	157.7	161.5	-70.8	-173.1	8.8	0	0	117.5
89	N	39.3	Very low	39.8	Very low	135 Å²	135	122.2 Å²	122.2	72%	0.722	76%	0.758	S	S	*	*			cis	-159	144.9	-4.2	-116.1	-10.3	0	0	0	113.6
90	G	39.5	Very low	39.9	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	77%	0.772	S	S	*	*			trans	67.9	172.4	146	0	0	0	0	0	121.8
91	L	42.3	Very low	39.7	Very low	156 Å²	156	124.6 Å²	124.6	82%	0.817	77%	0.769	S	S	*	*			cis	-169.9	151.1	-15.8	-115.3	176.1	0	0	0	111.7
92	T	40.7	Very low	40	Very low	134 Å²	134	126.3 Å²	126.3	82%	0.822	77%	0.766	S	S	*	*			trans	63.3	163.5	165.3	64.5	0	0	0	0	118.1
93	S	38.4	Very low	39.8	Very low	95 Å²	95	128.6 Å²	128.6	66%	0.664	77%	0.772	S	S	*	*			cis	-157.4	140.2	-2.7	142	0	0	0	0	108
94	V	41.9	Very low	40.1	Very low	134 Å²	134	126.1 Å²	126.1	81%	0.812	76%	0.764	S	S	*	*				94.5	141.5	55.8	154.3	0	0	0	0	112.9
95	P	44.1	Very low	40.2	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	77%	0.766	S	S	*	*				-123.5	-95.4	-114.2	27.8	-6	0	0	0	124.8
96	P	47.7	Very low	40	Very low	126 Å²	126	129.8 Å²	129.8	82%	0.818	77%	0.769	S	S	*	*				-131.7	-179.6	-120	40.3	-21.9	0	0	0	119.3
97	G	41	Very low	40	Very low	70 Å²	70	131.9 Å²	131.9	72%	0.722	77%	0.772	S	S	*	*			trans	164	162	161.6	0	0	0	0	0	113.5
98	N	40.7	Very low	39.7	Very low	149 Å²	149	132 Å²	132	80%	0.797	77%	0.773	S	S	*	*			cis	-159.9	145	-12.2	-139.5	-4.7	0	0	0	112.7
99	L	36.8	Very low	39.6	Very low	157 Å²	157	133.6 Å²	133.6	82%	0.822	77%	0.773	S	S	*	*			trans	4.3	141	160.3	-58.3	163.2	0	0	0	122.4
100	R	36.8	Very low	39.6	Very low	241 Å²	241	133.6 Å²	133.6	91%	0.909	77%	0.773	S	S	*	*				161.6	139.9	102.6	-169.9	160.8	-170.1	168.6	2.9	115.6
101	C	33	Very low	39.3	Very low	112 Å²	112	138.9 Å²	138.9	76%	0.757	78%	0.782	S	S	*	*			trans	-110.6	-172.5	171.5	-55.2	0	0	0	0	109.9
102	P	41.9	Very low	39	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	78%	0.782	S	S	*	*			cis	-146.3	169.9	8.1	44.8	-25.4	0	0	0	119.2
103	S	35.4	Very low	38.7	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	78%	0.783	S	S	*	*			trans	44	-178	139.2	-48	0	0	0	0	122.4
104	P	45.8	Very low	38.8	Very low	104 Å²	104	136.4 Å²	136.4	68%	0.675	79%	0.792	S	S	*	*				-127.9	175.9	-82.9	40.6	-25.3	0	0	0	114.3
105	N	39.1	Very low	38.5	Very low	153 Å²	153	135.2 Å²	135.2	82%	0.818	79%	0.79	S	S	*	*			trans	168.6	128	132	-88.8	-24.2	0	0	0	117.1
106	N	37.2	Very low	38	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	79%	0.794	S	S	*	*			trans	71	159.4	136.2	-145.6	6.7	0	0	0	123.2
107	M	38.7	Very low	37.3	Very low	160 Å²	160	136.1 Å²	136.1	79%	0.788	80%	0.796	S	S	*	*			trans	73.4	91.7	168.7	-58.3	-159	77.1	0	0	120.7
108	T	34.1	Very low	37.1	Very low	116 Å²	116	136.6 Å²	136.6	71%	0.712	80%	0.801	S	S	*	*			trans	-21.8	132.3	142	-48.4	0	0	0	0	116.9
109	Y	37.6	Very low	37	Very low	202 Å²	202	134.9 Å²	134.9	79%	0.792	80%	0.801	S	S	*	*				-177.6	144.2	115.1	-101.1	-67.8	0	0	0	114.1
110	N	38.7	Very low	37	Very low	134 Å²	134	134 Å²	134	72%	0.717	80%	0.795	S	S	*	*			trans	48	122.7	154.6	-77.8	2	0	0	0	124
111	M	34.3	Very low	37.1	Very low	181 Å²	181	130.5 Å²	130.5	89%	0.892	79%	0.79	S	S	*	*				60.3	109.5	126.2	-55.2	-71.9	-90.7	0	0	120
112	G	34.9	Very low	37	Very low	80 Å²	80	128 Å²	128	83%	0.825	78%	0.783	S	S	*	*			trans	160.2	95.9	158.9	0	0	0	0	0	116.3
113	S	35.1	Very low	37	Very low	121 Å²	121	131.2 Å²	131.2	85%	0.846	79%	0.793	S	S	*	*			trans	-76.7	151.1	158.7	-47.8	0	0	0	0	109
114	P	39.8	Very low	36.8	Very low	131 Å²	131	130.9 Å²	130.9	85%	0.851	79%	0.791	S	S	*	*				-148.4	-177.6	66.9	40	-19.7	0	0	0	116.8
115	S	34.9	Very low	36.2	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	80%	0.8	S	S	*	*			trans	-71.2	160.5	-177.9	-35.6	0	0	0	0	115.4
116	T	34.7	Very low	36	Very low	135 Å²	135	130 Å²	130	83%	0.828	80%	0.799	S	S	*	*				-167.6	142.1	122.1	12.6	0	0	0	0	114.9
117	S	32.9	Very low	35.7	Very low	125 Å²	125	130.1 Å²	130.1	87%	0.874	80%	0.799	S	S	*	*			trans	43.4	126.9	145.9	-54.8	0	0	0	0	123.9
118	G	36.7	Very low	35.6	Very low	80 Å²	80	128.6 Å²	128.6	83%	0.825	80%	0.804	S	S	*	*			trans	-160.9	144.3	158	0	0	0	0	0	111.1
119	S	37.7	Very low	35.6	Very low	114 Å²	114	128.3 Å²	128.3	80%	0.797	81%	0.807	S	S	*	*			trans	-160.6	168.7	-171.8	-141.8	0	0	0	0	109.8
120	I	37.7	Very low	35.1	Very low	137 Å²	137	124.1 Å²	124.1	70%	0.703	81%	0.805	S	S	*	*			cis	-124.7	-158	9.5	-9.6	178.5	0	0	0	108.6
121	Q	38.9	Very low	34.9	Very low	169 Å²	169	124.7 Å²	124.7	79%	0.79	81%	0.814	S	S	*	*			cis	-157	169.5	8.3	-140.4	147.1	-14.1	0	0	106.9
122	G	31.6	Very low	34.6	Very low	59 Å²	59	122.2 Å²	122.2	61%	0.608	81%	0.809	S	S	*	*			cis	127.3	75.5	1.5	0	0	0	0	0	113.3
123	L	40.9	Very low	34.9	Very low	179 Å²	179	124.2 Å²	124.2	94%	0.937	81%	0.811	S	S	*	*			trans	-146.9	156.8	163.6	-83.4	-175.9	0	0	0	110
124	S	31.5	Very low	34.8	Very low	106 Å²	106	125.7 Å²	125.7	74%	0.741	81%	0.809	S	S	*	*			trans	-140.7	171.9	-161.4	-61.2	0	0	0	0	114.5
125	T	33.1	Very low	34.8	Very low	143 Å²	143	125 Å²	125	88%	0.877	81%	0.807	S	S	*	*			trans	78.9	151.2	171.7	79.3	0	0	0	0	115.6
126	A	35.5	Very low	34.6	Very low	96 Å²	96	127.4 Å²	127.4	79%	0.793	81%	0.811	S	S	*	*			cis	-139.9	160.1	7.9	0	0	0	0	0	115.3
127	L	30.3	Very low	34.6	Very low	155 Å²	155	126.1 Å²	126.1	81%	0.812	81%	0.806	S	S	*	*			trans	-39.8	151.3	177.5	-59.6	159.7	0	0	0	118.9
128	S	36.5	Very low	34.5	Very low	129 Å²	129	125.3 Å²	125.3	90%	0.902	80%	0.801	S	S	*	*				-154	141.4	128.7	-81.5	0	0	0	0	110.2
129	S	33.7	Very low	34.6	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	80%	0.799	S	S	*	*			trans	-102.1	153.1	-157.5	-55.9	0	0	0	0	115.2
130	C	28.8	Very low	34.4	Very low	113 Å²	113	130.7 Å²	130.7	76%	0.764	80%	0.801	S	S	*	*			trans	-83.9	151.7	163.9	56.2	0	0	0	0	112
131	T	33.7	Very low	34	Very low	146 Å²	146	129.7 Å²	129.7	90%	0.896	81%	0.806	S	S	*	*			trans	-133.3	127.1	158.4	43.9	0	0	0	0	110.3
132	T	28.2	Very low	34	Very low	130 Å²	130	127.4 Å²	127.4	80%	0.798	81%	0.806	S	S	*	*			trans	-120.6	146.1	170.8	46.8	0	0	0	0	108.6
133	S	41	Very low	34.3	Very low	122 Å²	122	129.4 Å²	129.4	85%	0.853	82%	0.817	S	S	*	*			trans	-128.4	121.4	170.5	44.1	0	0	0	0	109.8
134	N	32.1	Very low	33.8	Very low	152 Å²	152	128.3 Å²	128.3	81%	0.813	81%	0.81	S	S	*	*			trans	-87.6	154.4	174.6	-68.5	-19.2	0	0	0	110.3
135	S	40.6	Very low	33.8	Very low	116 Å²	116	127.1 Å²	127.1	81%	0.811	81%	0.814	S	S	*	*			trans	-121.7	129.8	149.9	58	0	0	0	0	108.5
136	L	30.5	Very low	33.9	Very low	160 Å²	160	127.1 Å²	127.1	84%	0.838	81%	0.809	S	S	*	*			trans	-77.7	148.9	179.1	-60.9	95.7	0	0	0	110.8
137	C	34.1	Very low	33.7	Very low	107 Å²	107	129.5 Å²	129.5	72%	0.723	81%	0.808	S	S	*	*			trans	-132.8	112.3	162.6	-169	0	0	0	0	108.2
138	S	30.6	Very low	33.8	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	81%	0.806	S	S	*	*			trans	-91.9	103.9	-173.5	-57.7	0	0	0	0	110.5
139	H	39.4	Very low	33.8	Very low	169 Å²	169	127 Å²	127	78%	0.782	80%	0.795	S	S	*	*			trans	-123.4	126.3	166.7	-75.8	-68.8	0	0	0	110.7
140	T	33.2	Very low	33.7	Very low	138 Å²	138	130.8 Å²	130.8	85%	0.847	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81.3	133.7	-175.8	43.4	0	0	0	0	111.1	P142	T140-P142 WeakPolarHBondContact O-CD 3.4Å
141	S	30.5	Very low	34.1	Very low	116 Å²	116	131.7 Å²	131.7	81%	0.811	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.4	127.2	167.3	-55.1	0	0	0	0	110.1
142	P	39	Very low	33.9	Very low	120 Å²	120	130.5 Å²	130.5	78%	0.779	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.3	149.6	158.5	29.7	-32.2	0	0	0	109.5	T140	T140-P142 WeakPolarHBondContact O-CD 3.4Å
143	A	36.9	Very low	34.2	Very low	102 Å²	102	129.2 Å²	129.2	84%	0.843	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-73.6	151	-167.7	0	0	0	0	0	114	G145	A143-G145 PolarHBondContact O-N 2.83Å
144	I	31.7	Very low	33.8	Very low	155 Å²	155	129.6 Å²	129.6	80%	0.795	79%	0.788	S	S	*	*			trans	-75.6	103.9	169	-65	170.8	0	0	0	108.4	L146	I144-L146 HydrophobicContact CG2-CD1 4.01Å; I144-L146 HydrophobicContact CG2-CG 3.77Å; I144-L146 PolarHBondContact O-N 3Å
145	G	31.6	Very low	33.7	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	79%	0.791	S	S	*	*			trans	-89.9	71.8	172.8	0	0	0	0	0	112.2	A143 N147	A143-G145 PolarHBondContact O-N 2.83Å; G145-N147 PolarHBondContact O-N 3.25Å
146	L	34.4	Very low	33.4	Very low	144 Å²	144	135.4 Å²	135.4	75%	0.754	80%	0.795	S	S	*	*			trans	-78.5	109.8	168.2	-77	169.9	0	0	0	109.4	I144	I144-L146 HydrophobicContact CG2-CD1 4.01Å; I144-L146 HydrophobicContact CG2-CG 3.77Å; I144-L146 PolarHBondContact O-N 3Å
147	N	30.9	Very low	33.4	Very low	146 Å²	146	133 Å²	133	78%	0.781	79%	0.792	S	S	*	*			trans	-110	114.9	159.3	-168.8	-6.9	0	0	0	108.5	G145 A149	G145-N147 PolarHBondContact O-N 3.25Å; N147-A149 PolarHBondContact O-N 2.94Å
148	I	32.7	Very low	33.9	Very low	152 Å²	152	134.2 Å²	134.2	78%	0.779	80%	0.798	S	S	*	*			trans	-96	90.8	179.6	-57.6	173.2	0	0	0	106.7
149	A	36.9	Very low	34	Very low	79 Å²	79	135.3 Å²	135.3	65%	0.653	80%	0.801	S	S	*	*			trans	-99.9	103.4	174.1	0	0	0	0	0	109.5	N147 V151	N147-A149 PolarHBondContact O-N 2.94Å; A149-V151 PolarHBondContact O-N 3Å
150	E	31.2	Very low	33.5	Very low	189 Å²	189	137 Å²	137	88%	0.883	81%	0.806	S	S	*	*			trans	-72.3	103.8	177.2	179.2	175.6	-146.1	0	0	110.4
151	V	36.4	Very low	33.9	Very low	133 Å²	133	136.7 Å²	136.7	81%	0.806	80%	0.804	S	S	*	*			trans	-135.1	127	170.5	-176.1	0	0	0	0	109.6	A149	A149-V151 PolarHBondContact O-N 3Å
152	T	29.8	Very low	33.9	Very low	121 Å²	121	138.2 Å²	138.2	74%	0.742	80%	0.798	S	S	*	*			trans	-87.8	167.2	179.1	39.3	0	0	0	0	112.8
153	S	33.9	Very low	33.8	Very low	103 Å²	103	139 Å²	139	72%	0.72	80%	0.8	S	S	*	*			trans	91.4	132.4	153.1	77.3	0	0	0	0	120.6
154	T	33.6	Very low	33.8	Very low	129 Å²	129	141 Å²	141	79%	0.791	79%	0.79	S	S	*	*			trans	69.3	136.2	147.9	29.4	0	0	0	0	122.1
155	F	29.1	Very low	33.9	Very low	199 Å²	199	140.6 Å²	140.6	87%	0.873	79%	0.79	S	S	*	*			trans	-65.7	147.9	175.6	-52	-104.7	0	0	0	112.6
156	E	35.7	Very low	34.2	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	79%	0.785	S	S	*	*				-161.1	159.8	119.1	-112.9	179.6	144.8	0	0	110.8
157	S	30.4	Very low	34.2	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	79%	0.79	S	S	*	*			trans	-105.4	128.6	-179.8	-65.5	0	0	0	0	110.8	T159	S157-T159 PolarHBondContact O-N 3.45Å
158	P	43.8	Very low	34.4	Very low	131 Å²	131	143.3 Å²	143.3	85%	0.851	79%	0.789	S	S	*	*			trans	-80.7	115.7	175.5	30.7	-31.7	0	0	0	111.3
159	T	33.1	Very low	34.4	Very low	133 Å²	133	142.5 Å²	142.5	82%	0.816	79%	0.791	S	S	*	*			trans	-66.4	152.1	174.8	-35.8	0	0	0	0	111.9	S157	S157-T159 PolarHBondContact O-N 3.45Å
160	F	29.4	Very low	34.2	Very low	204 Å²	204	145.5 Å²	145.5	90%	0.895	80%	0.795	S	S	*	*			trans	-57.6	136.4	170.3	-92.3	-106.9	0	0	0	111.8
161	T	40.3	Very low	34.3	Very low	131 Å²	131	143.9 Å²	143.9	80%	0.804	79%	0.792	S	S	*	*			trans	-132.4	132.5	156.8	39.6	0	0	0	0	109.8
162	E	30.8	Very low	34.2	Very low	149 Å²	149	142.9 Å²	142.9	70%	0.696	79%	0.786	S	S	*	*			trans	-80.7	128.4	-179.6	-174.4	-165.7	151.2	0	0	110.5	K164	E162-K164 WeakPolarHBondContact OE1-CG 3.34Å; E162-K164 IonicContact OE1-NZ 3.06Å; E162-K164 PolarHBondContact OE1-NZ 3.49Å
163	V	38	Very low	34.3	Very low	135 Å²	135	142.9 Å²	142.9	82%	0.818	79%	0.789	S	S	*	*			trans	-127.2	123.5	163.6	-176.4	0	0	0	0	108.7
164	K	36.1	Very low	34.2	Very low	144 Å²	144	145 Å²	145	63%	0.626	79%	0.788	S	S	*	*			trans	-80.4	153.8	-176.7	-85.4	-176.9	170.6	67.9	0	112.7	E162	E162-K164 WeakPolarHBondContact OE1-CG 3.34Å; E162-K164 IonicContact OE1-NZ 3.06Å; E162-K164 PolarHBondContact OE1-NZ 3.49Å
165	N	34.7	Very low	34.6	Very low	148 Å²	148	147 Å²	147	79%	0.791	79%	0.792	S	S	*	*			trans	71.5	149.1	166.7	-50.4	-25.6	0	0	0	114
166	E	36.9	Very low	34.9	Very low	156 Å²	156	142.9 Å²	142.9	73%	0.729	78%	0.779	S	S	*	*			cis	-133.6	148	10.2	-74.4	-173.7	-148.9	0	0	113.7	G168	E166-G168 PolarHBondContact O-N 3.44Å
167	K	35.1	Very low	34.8	Very low	199 Å²	199	139 Å²	139	87%	0.865	77%	0.773	S	S	*	*			trans	28.2	85.2	148.6	-61	166.2	-172.9	151.8	0	118.1
168	G	34.2	Very low	35.1	Very low	73 Å²	73	139.2 Å²	139.2	75%	0.753	77%	0.77	S	S	*	*			trans	-119.7	126.7	162.7	0	0	0	0	0	111.8	E166 L170	E166-G168 PolarHBondContact O-N 3.44Å; G168-L170 PolarHBondContact O-N 3.18Å
169	T	34	Very low	34.7	Very low	135 Å²	135	138.7 Å²	138.7	83%	0.828	76%	0.764	S	S	*	*			trans	-73.2	125.5	-173.1	-52.5	0	0	0	0	112.7
170	L	31.3	Very low	35.3	Very low	141 Å²	141	141.1 Å²	141.1	74%	0.738	76%	0.763	S	S	*	*			trans	-82.9	114.9	177.3	-151	171.3	0	0	0	110.1	G168 T172	G168-L170 PolarHBondContact O-N 3.18Å; L170-T172 HydrophobicContact CD2-CG2 4.37Å; L170-T172 PolarHBondContact O-N 3.14Å
171	L	33.8	Very low	35.6	Very low	155 Å²	155	141 Å²	141	81%	0.812	76%	0.762	S	S	*	*			trans	-95.2	86.9	175.9	-75.4	175.8	0	0	0	111.4	C173	L171-C173 PolarHBondContact O-N 3.03Å
172	T	33.6	Very low	35.6	Very low	113 Å²	113	140.3 Å²	140.3	69%	0.693	76%	0.763	S	S	*	*			trans	-76.9	113	169.9	-0.9	0	0	0	0	110.7	L170 E174	L170-T172 HydrophobicContact CD2-CG2 4.37Å; L170-T172 PolarHBondContact O-N 3.14Å; T172-E174 PolarHBondContact O-N 3.47Å; T172-E174 VanDerWaalsContact O-N 3.11Å
173	C	31.6	Very low	35.9	Very low	120 Å²	120	142.7 Å²	142.7	81%	0.811	77%	0.771	S	S	*	*			trans	-82.5	79.5	176.3	-71.1	0	0	0	0	112	L171 I175	L171-C173 PolarHBondContact O-N 3.03Å; C173-I175 PolarHBondContact O-N 3.43Å
174	E	33.3	Very low	35.6	Very low	148 Å²	148	141.5 Å²	141.5	69%	0.692	77%	0.769	S	S	*	*			trans	-68.2	119.2	168.7	-68.5	-167.9	152.9	0	0	111.6	T172 N176	T172-E174 PolarHBondContact O-N 3.47Å; T172-E174 VanDerWaalsContact O-N 3.11Å; E174-N176 WeakPolarHBondContact CB-ND2 3.26Å; E174-N176 PolarHBondContact O-N 3.28Å; E174-N176 PolarHBondContact OE2-ND2 3.07Å
175	I	40.9	Very low	35.7	Very low	170 Å²	170	140.5 Å²	140.5	87%	0.872	78%	0.779	S	S	*	*			trans	-83.2	72	171.7	-53	-178.5	0	0	0	109.3	C173 S177	C173-I175 PolarHBondContact O-N 3.43Å; I175-S177 PolarHBondContact O-N 3.32Å
176	N	36	Very low	35.8	Very low	113 Å²	113	139.3 Å²	139.3	60%	0.604	78%	0.777	S	S	*	*			trans	-71.2	116.6	178.4	-87.1	-56.8	0	0	0	112	E174 V178	E174-N176 WeakPolarHBondContact CB-ND2 3.26Å; E174-N176 PolarHBondContact O-N 3.28Å; E174-N176 PolarHBondContact OE2-ND2 3.07Å; N176-V178 PolarHBondContact O-N 3.23Å; N176-V178 VanDerWaalsContact O-N 3.12Å
177	S	34.6	Very low	36	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	79%	0.785	S	S	*	*			trans	-79.9	91.9	-177.3	61.5	0	0	0	0	112.6	I175 V179	I175-S177 PolarHBondContact O-N 3.32Å; S177-V179 PolarHBondContact O-N 2.96Å
178	V	36	Very low	35.9	Very low	115 Å²	115	139.7 Å²	139.7	70%	0.697	78%	0.783	S	S	*	*			trans	-78	91.6	-177.6	-176.5	0	0	0	0	112.3	N176 K180	N176-V178 PolarHBondContact O-N 3.23Å; N176-V178 VanDerWaalsContact O-N 3.12Å; V178-K180 HydrophobicContact CG1-CG 4.15Å; V178-K180 PolarHBondContact O-N 3.41Å
179	V	35.5	Very low	36.3	Very low	121 Å²	121	142.6 Å²	142.6	73%	0.733	79%	0.786	S	S	*	*			trans	-76.1	89	173.5	-177.7	0	0	0	0	111.1	S177 K181	S177-V179 PolarHBondContact O-N 2.96Å; V179-K181 PolarHBondContact O-N 2.87Å
180	K	44.5	Very low	36.6	Very low	183 Å²	183	142 Å²	142	80%	0.796	78%	0.783	S	S	*	*			trans	-77.2	104.3	171.3	-84.9	177.3	-179.9	177.3	0	111.6	V178	V178-K180 HydrophobicContact CG1-CG 4.15Å; V178-K180 PolarHBondContact O-N 3.41Å
181	K	36	Very low	37.2	Very low	202 Å²	202	144.4 Å²	144.4	88%	0.878	79%	0.787	S	S	*	*			trans	-75.8	121.2	162.1	-71.4	174.1	179.3	168.1	0	109.8	V179	V179-K181 PolarHBondContact O-N 2.87Å
182	S	40.3	Very low	37.9	Very low	116 Å²	116	147 Å²	147	81%	0.811	79%	0.792	S	S	*	*			trans	-127.1	137.7	163.2	49.3	0	0	0	0	109.5
183	K	38.1	Very low	38.2	Very low	199 Å²	199	152.2 Å²	152.2	87%	0.865	80%	0.799	S	S	*	*			trans	-99.4	147.4	-173.6	-74.2	-177.3	175.9	177.6	0	112
184	S	31.9	Very low	38.9	Very low	111 Å²	111	153.3 Å²	153.3	78%	0.776	80%	0.803	S	S	*	*			trans	48.2	110.6	145.8	60.7	0	0	0	0	119.7
185	S	37.9	Very low	39.2	Very low	122 Å²	122	151.9 Å²	151.9	85%	0.853	80%	0.804	S	S	*	*				-147.5	135.1	119	-168.6	0	0	0	0	109.7
186	V	35.6	Very low	39.3	Very low	123 Å²	123	147 Å²	147	75%	0.745	80%	0.796	S	S	*	*			trans	-110.3	128.6	-179.4	174.5	0	0	0	0	108.9	L188	V186-L188 HydrophobicContact CG1-CD1 4.46Å; V186-L188 HydrophobicContact CG1-CG 4.36Å
187	K	41.7	Very low	39.7	Very low	205 Å²	205	151.4 Å²	151.4	89%	0.891	81%	0.809	S	S	*	*			trans	-137.4	99.2	168.6	-143.8	168.6	-172.7	175.3	0	110.2
188	L	34.2	Very low	40.2	Very low	158 Å²	158	157.5 Å²	157.5	83%	0.827	82%	0.817	S	S	*	*			trans	-81.8	140.4	176.8	-83.9	158.6	0	0	0	110.8	V186	V186-L188 HydrophobicContact CG1-CD1 4.46Å; V186-L188 HydrophobicContact CG1-CG 4.36Å
189	T	42.2	Very low	40.4	Very low	134 Å²	134	157.7 Å²	157.7	82%	0.822	82%	0.823	S	S	*	*			trans	-124.9	129.2	163.9	45.2	0	0	0	0	110.9
190	T	40.5	Very low	40.9	Very low	123 Å²	123	160 Å²	160	76%	0.755	83%	0.831	S	S	*	*			trans	-64.9	164.7	169.1	54.9	0	0	0	0	111.2
191	K	42.5	Very low	41.1	Very low	191 Å²	191	160.8 Å²	160.8	83%	0.83	83%	0.834	S	S	*	*			cis	-158.2	155.3	18.3	-124.1	144.3	-177.4	174.9	0	105.6
192	K	49.8	Very low	41.6	Very low	211 Å²	211	158.3 Å²	158.3	92%	0.917	82%	0.823	S	S	*	*				-171.6	156.6	83.6	-135.2	171.9	-176.8	176.2	0	109
193	R	38.3	Very low	41.5	Very low	221 Å²	221	163.2 Å²	163.2	83%	0.834	83%	0.831	S	S	*	*			trans	-138.1	135.1	-170.4	171.4	179.1	169.1	-176	-3	111.1	T195	R193-T195 HydrophobicContact CG-CG2 4.26Å
194	T	48	Very low	41.8	Very low	144 Å²	144	160.4 Å²	160.4	88%	0.883	82%	0.821	S	S	*	*			trans	-123.7	150.2	165.9	30.7	0	0	0	0	109.1
195	T	39.6	Very low	42	Very low	118 Å²	118	160.6 Å²	160.6	72%	0.724	82%	0.822	S	S	*	*			trans	-123.8	143.8	-159.7	42.5	0	0	0	0	113	R193	R193-T195 HydrophobicContact CG-CG2 4.26Å
196	G	42.3	Very low	42.3	Very low	68 Å²	68	160.7 Å²	160.7	70%	0.701	82%	0.823	S	S	*	*			trans	-158.7	42.6	-168.2	0	0	0	0	0	117.4
197	K	44.3	Very low	42.4	Very low	204 Å²	204	159.5 Å²	159.5	89%	0.887	82%	0.82	S	S	*	*			trans	35.8	112.3	159.3	-60.6	-178.8	-179.8	-179.5	0	119.6
198	Y	44.2	Very low	42.5	Very low	239 Å²	239	155.8 Å²	155.8	94%	0.937	81%	0.81	S	S	*	*			trans	-126.7	156.2	138.5	-77.6	-82.1	0	0	0	109
199	S	40.7	Very low	42.9	Very low	118 Å²	118	153.8 Å²	153.8	83%	0.825	80%	0.804	S	S	*	*			trans	-126.6	136.4	-174.1	-172.2	0	0	0	0	110.7
200	L	47.4	Very low	42.9	Very low	169 Å²	169	154.1 Å²	154.1	89%	0.885	80%	0.801	S	S	*	*			trans	-123.4	130	178.6	-110.6	161.7	0	0	0	108
201	K	48.7	Very low	43.1	Very low	200 Å²	200	153.4 Å²	153.4	87%	0.87	80%	0.801	S	S	*	*			trans	-90.5	139.8	179.3	-88.2	-168.4	172.3	-172.8	0	111.5
202	K	45.8	Very low	43	Very low	150 Å²	150	149.2 Å²	149.2	65%	0.652	80%	0.796	S	S	*	*			trans	-45	137.9	172.2	-121	-179.2	-179.8	-169.4	0	112.6	E204	K202-E204 HydrophobicContact CD-CB 4.34Å; K202-E204 VanDerWaalsContact CE-CD 3.43Å; K202-E204 WeakPolarHBondContact CE-OE1 3.28Å; K202-E204 WeakPolarHBondContact CE-OE2 3.45Å; K202-E204 IonicContact NZ-OE1 2.67Å; K202-E204 PolarHBondContact NZ-OE1 2.9Å; K202-E204 IonicContact NZ-OE2 2.7Å; K202-E204 PolarHBondContact NZ-OE2 3.17Å
203	F	38.4	Very low	43.1	Very low	219 Å²	219	145.6 Å²	145.6	96%	0.961	79%	0.791	S	S	*	*			trans	-111	146.1	135.2	-106.6	-90	0	0	0	106.8
204	E	43.5	Very low	43.5	Very low	140 Å²	140	140.4 Å²	140.4	65%	0.654	79%	0.786	S	S	*	*			trans	-147.1	129	-177.5	-171.7	164.1	-120.7	0	0	107.1	K202	K202-E204 HydrophobicContact CD-CB 4.34Å; K202-E204 VanDerWaalsContact CE-CD 3.43Å; K202-E204 WeakPolarHBondContact CE-OE1 3.28Å; K202-E204 WeakPolarHBondContact CE-OE2 3.45Å; K202-E204 IonicContact NZ-OE1 2.67Å; K202-E204 PolarHBondContact NZ-OE1 2.9Å; K202-E204 IonicContact NZ-OE2 2.7Å; K202-E204 PolarHBondContact NZ-OE2 3.17Å
205	S	36	Very low	43.2	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	78%	0.779	S	S	*	*			trans	-120.1	117.8	-170.7	54.8	0	0	0	0	110.4
206	S	43.7	Very low	43.4	Very low	123 Å²	123	139.7 Å²	139.7	86%	0.86	78%	0.776	S	S	*	*			trans	-127.2	149	164.1	-62.5	0	0	0	0	108.3
207	S	38	Very low	43.5	Very low	98 Å²	98	141.3 Å²	141.3	69%	0.685	78%	0.777	S	S	*	*			trans	-106.2	-177	-162.3	44.1	0	0	0	0	113.7
208	D	44	Very low	43.5	Very low	127 Å²	127	140.4 Å²	140.4	68%	0.679	77%	0.773	S	S	*	*			trans	92	100.3	150	-52.8	-46.1	0	0	0	120.9
209	T	43.2	Very low	43.4	Very low	116 Å²	116	134 Å²	134	71%	0.712	76%	0.759	S	S	*	*				92.9	117.7	126.6	58.1	0	0	0	0	122.6
210	N	41.9	Very low	43.5	Very low	142 Å²	142	136.3 Å²	136.3	76%	0.759	76%	0.757	S	S	*	*			trans	91.3	111.5	131.1	-63.6	-8.4	0	0	0	123.3
211	S	43.7	Very low	43.3	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	75%	0.752	S	S	*	*				97	136.9	128.1	73.3	0	0	0	0	121.9
212	S	41.8	Very low	43.2	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	75%	0.749	S	S	*	*			trans	48.1	119.4	162.3	43.7	0	0	0	0	119.8
213	V	50.7	Low	43.1	Very low	134 Å²	134	129.7 Å²	129.7	81%	0.812	76%	0.757	S	S	*	*			cis	73.4	124.5	25.9	-169.4	0	0	0	0	113.7
214	P	47.2	Very low	43.4	Very low	113 Å²	113	127.1 Å²	127.1	73%	0.734	75%	0.753	S	S	*	*			cis	-143	-162.5	-31.5	37.4	-15.1	0	0	0	114.6
215	D	41.5	Very low	43.3	Very low	139 Å²	139	129.2 Å²	129.2	74%	0.743	76%	0.759	S	S	*	*			trans	109.9	149.3	132.3	-138.8	1.7	0	0	0	123.3
216	T	45.1	Very low	43.7	Very low	107 Å²	107	133.1 Å²	133.1	66%	0.656	77%	0.765	S	S	*	*			trans	68.8	108.3	168.9	72	0	0	0	0	117.6
217	S	43.4	Very low	43.5	Very low	103 Å²	103	132 Å²	132	72%	0.72	76%	0.758	S	S	*	*				87.8	149.5	86.7	100.5	0	0	0	0	113.3
218	K	44	Very low	43.9	Very low	184 Å²	184	138.1 Å²	138.1	80%	0.8	77%	0.767	S	S	*	*			cis	-163.1	159.8	25.5	-124	177	-171.6	170.8	0	111.4
219	V	42.8	Very low	44.1	Very low	106 Å²	106	136.9 Å²	136.9	64%	0.642	77%	0.768	S	S	*	*			trans	77.4	112.5	139.3	165.7	0	0	0	0	122.9
220	Q	43.1	Very low	44	Very low	166 Å²	166	142.8 Å²	142.8	78%	0.776	78%	0.778	S	S	*	*			trans	60.9	118.9	130.3	-61.6	179.8	-11.3	0	0	121.7
221	S	42.7	Very low	44.5	Very low	113 Å²	113	145.7 Å²	145.7	79%	0.79	78%	0.783	S	S	*	*				95.1	153.2	93.2	-64.4	0	0	0	0	113
222	S	47.5	Very low	44.4	Very low	114 Å²	114	149 Å²	149	80%	0.797	79%	0.787	S	S	*	*			cis	-146.1	173	18	60	0	0	0	0	113.4
223	N	42.3	Very low	44.9	Very low	153 Å²	153	155.7 Å²	155.7	82%	0.818	80%	0.796	S	S	*	*			trans	-73.8	156.4	-177.5	-57.5	-72.3	0	0	0	114.3
224	N	46.3	Very low	44.8	Very low	164 Å²	164	157.3 Å²	157.3	88%	0.877	80%	0.795	S	S	*	*				-148.8	155.2	125.7	-148.3	-13.3	0	0	0	112.4
225	K	40.1	Very low	44.6	Very low	184 Å²	184	157.4 Å²	157.4	80%	0.8	80%	0.795	S	S	*	*			trans	-116.8	142.3	-179.7	-65.4	176.1	179.3	174.8	0	110.5
226	Q	45.7	Very low	44.9	Very low	198 Å²	198	161.9 Å²	161.9	93%	0.925	80%	0.802	S	S	*	*			trans	-156.7	149	147.2	-114.1	163.9	18.2	0	0	112.1
227	S	39.1	Very low	44.7	Very low	101 Å²	101	162.1 Å²	162.1	71%	0.706	81%	0.808	S	S	*	*			trans	-91.6	168	-172.2	-53.4	0	0	0	0	112.4
228	Y	46.3	Very low	44.9	Very low	226 Å²	226	167.2 Å²	167.2	89%	0.886	81%	0.811	S	S	*	*				178.3	131.5	120.5	-92.9	-60.1	0	0	0	115.4
229	S	47.1	Very low	45.1	Very low	100 Å²	100	163.9 Å²	163.9	70%	0.699	81%	0.807	S	S	*	*			trans	51.6	93.2	142.7	-146.1	0	0	0	0	123.2
230	R	41.8	Very low	45	Very low	241 Å²	241	166.9 Å²	166.9	91%	0.909	82%	0.819	S	S	*	*			trans	-21.2	129.4	140.9	-174.5	-169.9	-155.9	178	7.7	116.8
231	K	52.7	Low	45.4	Very low	202 Å²	202	170.9 Å²	170.9	88%	0.878	83%	0.827	S	S	*	*			trans	-140.9	153.5	156.2	-78.2	-164.7	176.8	179.7	0	113.3
232	H	41.9	Very low	45.3	Very low	179 Å²	179	175.7 Å²	175.7	83%	0.829	83%	0.833	S	S	*	*			trans	-67.3	156.5	-175.6	-99.9	-101.4	0	0	0	114.8
233	R	52	Low	45.4	Very low	242 Å²	242	175.3 Å²	175.3	91%	0.913	83%	0.831	S	S	*	*			trans	-111.6	142.9	155.6	-89.7	-176.4	171	176.8	-0.9	110.6
234	Q	49.4	Very low	45.4	Very low	169 Å²	169	177.5 Å²	177.5	79%	0.79	83%	0.833	S	S	*	*			trans	-128.5	157.2	164.3	-82.1	-74.6	-0.2	0	0	107.4
235	P	42.6	Very low	45.2	Very low	114 Å²	114	181 Å²	181	74%	0.74	83%	0.834	S	S	*	*			trans	-79	155.2	-165.2	31.5	-34.7	0	0	0	113.7
236	R	47.8	Very low	45.3	Very low	234 Å²	234	176.6 Å²	176.6	88%	0.883	83%	0.827	S	S	*	*			trans	-85.4	131	176.7	-88.1	-178.7	167.4	171.5	-2.8	111.9
237	S	40.6	Very low	45.3	Very low	112 Å²	112	173 Å²	173	78%	0.783	82%	0.821	S	S	*	*			trans	-104.6	138.9	154.4	178.2	0	0	0	0	109.7
238	R	47.4	Very low	45.4	Very low	209 Å²	209	174.7 Å²	174.7	79%	0.789	83%	0.826	S	S	*	*			trans	-150.7	95.6	167.8	-101.1	-167.4	155.6	155.5	-2.7	109.5
239	T	48.8	Very low	45.1	Very low	115 Å²	115	168 Å²	168	71%	0.706	81%	0.813	S	S	*	*				78.4	111.4	93.7	56.1	0	0	0	0	115
240	N	39.3	Very low	44.7	Very low	169 Å²	169	172.5 Å²	172.5	90%	0.904	82%	0.822	S	S	*	*			trans	-62.3	159.5	167.1	-83.8	-48.9	0	0	0	113
241	R	52.1	Low	44.6	Very low	250 Å²	250	165.7 Å²	165.7	94%	0.943	81%	0.811	S	S	*	*			trans	-123	147.5	160.1	-86.2	-176.1	163.9	-176.5	-5.6	109.8
242	K	41.3	Very low	43.9	Very low	213 Å²	213	160.6 Å²	160.6	93%	0.926	80%	0.801	S	S	*	*			trans	-150.8	133.7	-173	-166.6	174.6	-174.6	177	0	111
243	S	49.7	Very low	43.7	Very low	106 Å²	106	159.5 Å²	159.5	74%	0.741	80%	0.801	S	S	*	*			trans	-154.4	134.2	173.8	-156.6	0	0	0	0	106.4
244	K	41.7	Very low	43	Very low	199 Å²	199	154 Å²	154	87%	0.865	79%	0.794	S	S	*	*				59.4	125.4	50.4	-64.2	-169.9	173.7	-173.7	0	111.1
245	R	41.8	Very low	42.2	Very low	238 Å²	238	150.1 Å²	150.1	90%	0.898	79%	0.786	S	S	*	*			cis	-145	171.2	11.4	-122.1	-165.6	166	172	-5.1	107.2
246	S	42.5	Very low	42	Very low	92 Å²	92	153.8 Å²	153.8	64%	0.643	79%	0.79	S	S	*	*			cis	-167.9	161.7	-20.5	29.2	0	0	0	0	109.1
247	P	44.8	Very low	41.5	Very low	123 Å²	123	153.2 Å²	153.2	80%	0.799	79%	0.79	S	S	*	*			trans	-106	166.3	-172	40.4	-34.8	0	0	0	115.6
248	V	42.3	Very low	41.5	Very low	136 Å²	136	153.4 Å²	153.4	82%	0.824	79%	0.788	S	S	*	*			trans	-147.2	124.8	169.7	171.1	0	0	0	0	111.6
249	S	40.4	Very low	40.9	Very low	86 Å²	86	147.6 Å²	147.6	60%	0.601	79%	0.785	S	S	*	*			trans	21.9	125.7	155.5	69.9	0	0	0	0	122.5
250	E	38.1	Very low	40.5	Very low	194 Å²	194	150.6 Å²	150.6	91%	0.907	79%	0.791	S	S	*	*				78.4	155.3	90.8	-64.2	170.7	-179.9	0	0	114.8
251	S	39.6	Very low	40.5	Very low	97 Å²	97	148.5 Å²	148.5	68%	0.678	79%	0.785	S	S	*	*			cis	-151	-175.4	14.8	70.7	0	0	0	0	113.1
252	S	38.5	Very low	40.2	Very low	95 Å²	95	142.4 Å²	142.4	66%	0.664	78%	0.777	S	S	*	*			trans	74.9	125	164.1	-48.4	0	0	0	0	117.2
253	L	37.7	Very low	40	Very low	157 Å²	157	139.3 Å²	139.3	82%	0.822	77%	0.771	S	S	*	*				70	132	54.6	-57.8	169.4	0	0	0	112.2
254	T	37.7	Very low	39.6	Very low	125 Å²	125	141.2 Å²	141.2	77%	0.767	77%	0.772	S	S	*	*			cis	-158.2	174.4	8.2	-9.4	0	0	0	0	113.4
255	S	31.1	Very low	39.5	Very low	88 Å²	88	136.3 Å²	136.3	62%	0.615	76%	0.762	S	S	*	*			trans	-18.3	165.7	164.2	-165.6	0	0	0	0	122.4
256	F	39	Very low	39.4	Very low	191 Å²	191	131 Å²	131	84%	0.838	76%	0.757	S	S	*	*			trans	123.3	115.7	146.7	-62.8	-67	0	0	0	118.5
257	Y	37.3	Very low	39.4	Very low	223 Å²	223	129.7 Å²	129.7	88%	0.875	76%	0.757	S	S	*	*			trans	-79.4	167.8	154.6	-87.9	-80.6	0	0	0	109.4
258	P	40.8	Very low	39.3	Very low	115 Å²	115	130.7 Å²	130.7	75%	0.747	76%	0.756	S	S	*	*			cis	-153	168.9	37.6	43.9	-22.8	0	0	0	120.9
259	A	35	Very low	39.3	Very low	87 Å²	87	131 Å²	131	72%	0.719	75%	0.749	S	S	*	*			trans	57.1	158.9	138.3	0	0	0	0	0	125.6
260	Q	39.3	Very low	39.3	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	75%	0.754	S	S	*	*			trans	88.5	93.8	160.6	-52.1	-158.7	14.3	0	0	121.4
261	T	40.8	Very low	39.2	Very low	125 Å²	125	128.7 Å²	128.7	77%	0.767	74%	0.742	S	S	*	*				15.7	146.3	126	57.6	0	0	0	0	121.4
262	P	45.1	Very low	39.3	Very low	121 Å²	121	131.3 Å²	131.3	79%	0.786	75%	0.748	S	S	*	*				-149.2	125.9	95	34.6	-15.5	0	0	0	119.1
263	N	37.9	Very low	39	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	76%	0.755	S	S	*	*				66.1	152.2	120.9	-106.6	-7.8	0	0	0	127.4
264	L	39.8	Very low	39.4	Very low	147 Å²	147	131.1 Å²	131.1	77%	0.77	76%	0.756	S	S	*	*			trans	71.1	143.3	160.6	-93.8	70.8	0	0	0	118.7
265	S	39.5	Very low	39.2	Very low	95 Å²	95	130 Å²	130	66%	0.664	75%	0.753	S	S	*	*			cis	-169.7	177.3	-4.7	-151.2	0	0	0	0	109.4
266	T	39.9	Very low	39.3	Very low	128 Å²	128	133 Å²	133	79%	0.785	76%	0.762	S	S	*	*			cis	-155.9	141.4	1.7	-39.7	0	0	0	0	111
267	G	44	Very low	39.1	Very low	63 Å²	63	131 Å²	131	65%	0.649	77%	0.765	S	S	*	*			trans	71.1	157.4	153	0	0	0	0	0	119.6
268	N	42.7	Very low	39	Very low	144 Å²	144	128.6 Å²	128.6	77%	0.77	76%	0.764	S	S	*	*			cis	-173.7	172.4	-5.5	-105.8	6.4	0	0	0	106.5
269	H	40.3	Very low	38.8	Very low	144 Å²	144	130.1 Å²	130.1	67%	0.667	77%	0.771	S	S	*	*			cis	-177.8	159.5	-27.2	57	10.6	0	0	0	105.2
270	L	41.6	Very low	38.9	Very low	138 Å²	138	133.5 Å²	133.5	72%	0.723	77%	0.772	S	S	*	*			cis	-120.5	-161	12.8	-71.2	167.6	0	0	0	108.9
271	S	36.8	Very low	38.9	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	77%	0.767	S	S	*	*			cis	70.9	146.9	15.9	95.7	0	0	0	0	117.3
272	L	40.1	Very low	38.7	Very low	152 Å²	152	132.8 Å²	132.8	80%	0.796	76%	0.763	S	S	*	*			cis	-132.1	162.5	12.6	-63.8	90.2	0	0	0	115
273	S	32.4	Very low	38.3	Very low	117 Å²	117	130.9 Å²	130.9	82%	0.818	75%	0.753	S	S	*	*			trans	-139.9	138	148.8	-60.2	0	0	0	0	109.3
274	P	46.9	Very low	38.3	Very low	130 Å²	130	131.2 Å²	131.2	84%	0.844	75%	0.75	S	S	*	*			trans	-96.7	167	176.1	37	-33.6	0	0	0	113
275	S	32.5	Very low	38.2	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	75%	0.748	S	S	*	*			trans	-153.2	156.3	-175	71.2	0	0	0	0	114.7
276	L	34.6	Very low	38.1	Very low	153 Å²	153	131.8 Å²	131.8	80%	0.801	75%	0.749	S	S	*	*			trans	67.4	131	156.5	-62.5	171.1	0	0	0	120.1
277	T	34.8	Very low	38.2	Very low	147 Å²	147	131.1 Å²	131.1	90%	0.902	75%	0.747	S	S	*	*				-161.2	164.4	127.2	4.7	0	0	0	0	109.1
278	M	34	Very low	37.9	Very low	174 Å²	174	134.3 Å²	134.3	86%	0.857	75%	0.753	S	S	*	*			trans	-131.8	148.4	-176.2	-59	-175.3	79.8	0	0	111.6
279	T	37.5	Very low	37.7	Very low	146 Å²	146	136.2 Å²	136.2	90%	0.896	76%	0.758	S	S	*	*			trans	-153.4	123.1	150.2	1.7	0	0	0	0	113.8
280	E	36.1	Very low	37.5	Very low	159 Å²	159	135.3 Å²	135.3	74%	0.743	76%	0.762	S	S	*	*			trans	-9.9	169.9	152.5	-141.6	-174.9	116.1	0	0	124
281	Q	40.1	Very low	37.3	Very low	153 Å²	153	134.7 Å²	134.7	72%	0.715	77%	0.766	S	S	*	*			trans	86.4	141.5	157.1	-64.9	-165.6	-0.5	0	0	120.5
282	I	35.8	Very low	37.1	Very low	135 Å²	135	138 Å²	138	69%	0.692	77%	0.773	S	S	*	*			cis	-163.9	168	-24.9	-137.7	169.2	0	0	0	111.5
283	S	37.6	Very low	37	Very low	82 Å²	82	141.2 Å²	141.2	57%	0.573	78%	0.777	S	S	*	*			trans	69	122.8	166.3	-80.3	0	0	0	0	119.5
284	Q	36.8	Very low	37.2	Very low	155 Å²	155	140.2 Å²	140.2	72%	0.724	77%	0.77	S	S	*	*				72.9	143.1	90.5	-67.6	178.6	-71.6	0	0	114.3
285	E	38.6	Very low	36.6	Very low	156 Å²	156	144.1 Å²	144.1	73%	0.729	77%	0.774	S	S	*	*			cis	-169.4	173.8	-11.3	-115.7	-178.9	87.2	0	0	107.3
286	S	36.4	Very low	36.5	Very low	97 Å²	97	142.8 Å²	142.8	68%	0.678	78%	0.775	S	S	*	*			cis	-156.5	175.6	-4.6	54.9	0	0	0	0	108.8
287	P	43.5	Very low	36.5	Very low	115 Å²	115	144.1 Å²	144.1	75%	0.747	78%	0.783	S	S	*	*			trans	-104.6	176.8	-170.5	40.5	-34.6	0	0	0	114.6
288	V	36.1	Very low	36.6	Very low	130 Å²	130	143.3 Å²	143.3	79%	0.788	78%	0.778	S	S	*	*			trans	175.2	155.8	135.3	143.9	0	0	0	0	114
289	Q	40.1	Very low	36.5	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	78%	0.78	S	S	*	*			trans	91	109.5	173.3	-47.5	-145.6	6.5	0	0	120.1
290	T	35.8	Very low	36.6	Very low	124 Å²	124	138.3 Å²	138.3	76%	0.761	77%	0.766	S	S	*	*			trans	-92.9	170.3	161.1	-4.4	0	0	0	0	110.7
291	P	37.8	Very low	36.7	Very low	125 Å²	125	135 Å²	135	81%	0.812	77%	0.766	S	S	*	*				-130.3	162.9	110.9	36.9	-31.3	0	0	0	114.1
292	M	32.6	Very low	36.7	Very low	162 Å²	162	137.3 Å²	137.3	80%	0.798	77%	0.773	S	S	*	*			trans	-86.3	165.6	177.7	-55.7	178.3	70.3	0	0	111.8
293	Y	37.2	Very low	37.1	Very low	220 Å²	220	136.6 Å²	136.6	86%	0.863	78%	0.775	S	S	*	*				-156.7	139.5	120.4	-114.6	-74.3	0	0	0	114.3
294	S	36.3	Very low	37.6	Very low	97 Å²	97	138.5 Å²	138.5	68%	0.678	79%	0.789	S	S	*	*			trans	28.8	117.5	157.8	55.1	0	0	0	0	121.5
295	K	34.5	Very low	37.9	Very low	212 Å²	212	134.2 Å²	134.2	92%	0.922	79%	0.786	S	S	*	*			trans	-76	125	153.2	-64.9	174.5	-179.6	175.2	0	109.7
296	G	31.3	Very low	38.4	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	77%	0.765	S	S	*	*			trans	-104.9	115.4	172.9	0	0	0	0	0	112.1
297	L	33.7	Very low	39.3	Very low	182 Å²	182	129 Å²	129	95%	0.953	76%	0.761	S	S	*	*			trans	-86.9	112.3	172.6	-80.9	152.6	0	0	0	110
298	T	36.1	Very low	40.2	Very low	130 Å²	130	129.3 Å²	129.3	80%	0.798	75%	0.751	S	S	*	*			trans	-118.9	96.9	169.4	44.1	0	0	0	0	110.8	S300	T298-S300 PolarHBondContact O-N 2.92Å; T298-S300 VanDerWaalsContact O-N 3.11Å
299	S	32.6	Very low	41.6	Very low	129 Å²	129	127.2 Å²	127.2	90%	0.902	73%	0.734	S	S	*	*			trans	-74.3	92.8	165.2	-175.2	0	0	0	0	108.8
300	S	39.4	Very low	43.1	Very low	86 Å²	86	125.9 Å²	125.9	60%	0.601	72%	0.721	S	S	*	*			trans	-88.4	120	169.8	52.4	0	0	0	0	109.8	T298 F302	T298-S300 PolarHBondContact O-N 2.92Å; T298-S300 VanDerWaalsContact O-N 3.11Å; S300-F302 PolarHBondContact O-N 3.2Å
301	A	38.5	Very low	44.6	Very low	90 Å²	90	124.2 Å²	124.2	74%	0.744	71%	0.707	S	S	*	*			trans	-67.3	124.8	177.8	0	0	0	0	0	110.4	V303	A301-V303 PolarHBondContact O-N 3.06Å
302	F	40.6	Very low	46	Very low	200 Å²	200	124.7 Å²	124.7	88%	0.877	69%	0.693	S	S	*	*			trans	-70.9	100.1	179.8	-64.3	-88.2	0	0	0	111.1	S300	S300-F302 PolarHBondContact O-N 3.2Å
303	V	44	Very low	47.4	Very low	121 Å²	121	125 Å²	125	73%	0.733	69%	0.685	S	S	*	*			trans	-91.7	112.5	170.6	-178.4	0	0	0	0	109.4	A301 G305	A301-V303 PolarHBondContact O-N 3.06Å; V303-G305 PolarHBondContact O-N 3.48Å
304	S	47.7	Very low	48.4	Very low	122 Å²	122	117.3 Å²	117.3	85%	0.853	66%	0.659	S	S	*	*			trans	-81.7	81.3	-175.5	-62.5	0	0	0	0	112.9
305	G	43.5	Very low	49.5	Very low	64 Å²	64	116.9 Å²	116.9	66%	0.66	66%	0.661	S	S	*	*			trans	79.5	89.4	164.9	0	0	0	0	0	115.2	V303	V303-G305 PolarHBondContact O-N 3.48Å
306	G	48.3	Very low	50.3	Low	28 Å²	28	111 Å²	111	29%	0.289	65%	0.653	S	S	.	*			trans	-89.8	162.5	170.4	0	0	0	0	0	113.9	D344	G306-D344 PolarHBondContact N-OD2 2.96Å; G306-D344 PolarHBondContact O-N 3.44Å
307	L	55.6	Low	51.2	Low	115 Å²	115	115.2 Å²	115.2	60%	0.602	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.1	128.5	156.5	176.9	69.9	0	0	0	107.8	I309	L307-I309 HydrophobicContact CD2-CD1 4.1Å; L307-I309 HydrophobicContact CD2-CG1 4.08Å; L307-I309 HydrophobicContact CG-CG1 4.08Å
308	K	62.9	Low	51.9	Low	123 Å²	123	113.3 Å²	113.3	54%	0.535	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.7	97.7	-175.7	-165	168.6	-170	167.5	0	110.5	W342 D344	K308-W342 PolarHBondContact N-O 2.76Å; K308-W342 PolarHBondContact O-N 2.79Å; K308-W342 VanDerWaalsContact O-N 3.16Å; K308-D344 WeakPolarHBondContact CD-OD1 3.47Å; K308-D344 IonicContact NZ-OD1 3.73Å
309	I	65.9	Low	52.6	Low	86 Å²	86	115.3 Å²	115.3	44%	0.441	64%	0.644	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.3	122.7	179.9	-53.2	177.8	0	0	0	108.8	L307 L311 I338	L307-I309 HydrophobicContact CD2-CD1 4.1Å; L307-I309 HydrophobicContact CD2-CG1 4.08Å; L307-I309 HydrophobicContact CG-CG1 4.08Å; I309-L311 HydrophobicContact CG2-CD2 3.92Å; I309-L311 HydrophobicContact CG2-CG 4.36Å; I309-I338 HydrophobicContact CG2-CB 4.47Å; I309-I338 HydrophobicContact CG2-CD1 4.35Å; I309-I338 HydrophobicContact CG2-CG1 3.94Å; I309-I338 HydrophobicContact CG2-CG2 3.98Å
310	R	70.4	Confident	53.1	Low	155 Å²	155	116.5 Å²	116.5	59%	0.585	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.9	102.6	170.6	-169.5	171.5	-172.9	153.9	2.6	109.9	V339 E340	R310-V339 PolarHBondContact O-N 2.74Å; R310-V339 VanDerWaalsContact O-N 3.1Å; R310-E340 PolarHBondContact N-O 3.06Å
311	L	68.2	Low	53.6	Low	89 Å²	89	119.1 Å²	119.1	47%	0.466	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.8	136.7	169.1	-59.4	179.8	0	0	0	110.1	I309 F336 R337 I338	I309-L311 HydrophobicContact CG2-CD2 3.92Å; I309-L311 HydrophobicContact CG2-CG 4.36Å; L311-F336 HydrophobicContact CB-CB 4.19Å; L311-F336 HydrophobicContact CB-CD1 3.94Å; L311-F336 HydrophobicContact CB-CG 4.43Å; L311-F336 HydrophobicContact CD1-CB 4.15Å; L311-F336 HydrophobicContact CD1-CD1 4.33Å; L311-F336 HydrophobicContact CD1-CG 4.27Å; L311-F336 HydrophobicContact CD2-CB 4.28Å; L311-F336 HydrophobicContact CG-CB 4.44Å; L311-R337 WeakPolarHBondContact CA-O 3.37Å; L311-I338 HydrophobicContact CD2-CG1 3.8Å
312	R	67.4	Low	54.1	Low	135 Å²	135	118 Å²	118	51%	0.509	64%	0.643	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	138.7	156	-73.9	-175.1	-167.7	131.9	6.6	108.2	F336 R337 V339	R312-F336 VanDerWaalsContact O-CA 3.29Å; R312-F336 WeakPolarHBondContact O-CA 3.47Å; R312-R337 PolarHBondContact N-O 3.16Å; R312-R337 VanDerWaalsContact N-O 3.08Å; R312-R337 PolarHBondContact O-N 3.27Å; R312-R337 VanDerWaalsContact O-N 3.09Å; R312-V339 HydrophobicContact CB-CG2 3.8Å; R312-V339 HydrophobicContact CG-CG2 3.64Å
313	R	60.9	Low	54.4	Low	169 Å²	169	119 Å²	119	64%	0.638	65%	0.647	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.1	123	165.2	168.6	176.7	-73.2	152.3	-6.7	106.4	F336	R313-F336 HydrophobicContact CB-CD1 3.98Å; R313-F336 HydrophobicContact CB-CE1 3.75Å
314	D	59.3	Low	54.5	Low	59 Å²	59	116.3 Å²	116.3	32%	0.316	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-66.2	135.4	168.9	-69.4	-8.4	0	0	0	108	A316 T335 R337	D314-A316 PolarHBondContact O-N 2.76Å; D314-T335 PolarHBondContact N-O 3.13Å; D314-R337 IonicContact OD1-NE 3.04Å; D314-R337 IonicContact OD2-CZ 3.84Å; D314-R337 IonicContact OD2-NE 3.75Å; D314-R337 PolarHBondContact OD2-NE 3.15Å; D314-R337 IonicContact OD2-NH2 2.94Å; D314-R337 PolarHBondContact OD2-NH2 3.36Å
315	A	58	Low	54.7	Low	87 Å²	87	120.7 Å²	120.7	72%	0.719	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-62.5	137.3	168.5	0	0	0	0	0	107.9	M317	A315-M317 PolarHBondContact O-N 3.27Å
316	A	51.9	Low	54.5	Low	90 Å²	90	129.6 Å²	129.6	74%	0.744	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-58.4	125.8	-178.1	0	0	0	0	0	109.5	D314 D318	D314-A316 PolarHBondContact O-N 2.76Å; A316-D318 PolarHBondContact O-N 3.17Å
317	M	51.3	Low	54.6	Low	159 Å²	159	133 Å²	133	78%	0.783	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-63.9	121.3	168.1	-78.6	-68.8	157.4	0	0	108	A315 F319	A315-M317 PolarHBondContact O-N 3.27Å; M317-F319 VanDerWaalsContact C-N 3.26Å; M317-F319 HydrophobicContact CB-CE2 4.47Å; M317-F319 VanDerWaalsContact O-CD2 3.3Å; M317-F319 WeakPolarHBondContact O-CD2 3.45Å; M317-F319 PolarHBondContact O-N 3.23Å
318	D	46.7	Very low	54.3	Low	142 Å²	142	137.5 Å²	137.5	76%	0.759	70%	0.701	S	S	*	*			trans	-69	86.6	175.9	-81.5	-46.7	0	0	0	109.5	A316 N320	A316-D318 PolarHBondContact O-N 3.17Å; D318-N320 VanDerWaalsContact C-N 3.27Å; D318-N320 PolarHBondContact O-N 3.37Å; D318-N320 PolarHBondContact O-ND2 3.47Å; D318-N320 VanDerWaalsContact O-ND2 3.12Å
319	F	51.6	Low	53.5	Low	173 Å²	173	137.5 Å²	137.5	76%	0.759	72%	0.717	S	S	*	*			trans	-59.3	89.3	170	-79.4	-82.6	0	0	0	109.5	M317 I321	M317-F319 VanDerWaalsContact C-N 3.26Å; M317-F319 HydrophobicContact CB-CE2 4.47Å; M317-F319 VanDerWaalsContact O-CD2 3.3Å; M317-F319 WeakPolarHBondContact O-CD2 3.45Å; M317-F319 PolarHBondContact O-N 3.23Å; F319-I321 HydrophobicContact CB-CD1 4.09Å; F319-I321 HydrophobicContact CB-CG1 4.19Å; F319-I321 PolarHBondContact O-N 3.49Å
320	N	43.8	Very low	53	Low	153 Å²	153	143 Å²	143	82%	0.818	74%	0.738	S	S	*	*			trans	-71.7	60.9	173.6	-88.1	-83	0	0	0	110.9	D318 G322	D318-N320 VanDerWaalsContact C-N 3.27Å; D318-N320 PolarHBondContact O-N 3.37Å; D318-N320 PolarHBondContact O-ND2 3.47Å; D318-N320 VanDerWaalsContact O-ND2 3.12Å; N320-G322 PolarHBondContact O-N 3.11Å; N320-G322 VanDerWaalsContact O-N 3.11Å
321	I	50	Low	52.3	Low	142 Å²	142	142.4 Å²	142.4	73%	0.728	75%	0.752	S	S	*	*			trans	-67.6	107.6	174.8	-68.2	166	0	0	0	107.8	F319 K323	F319-I321 HydrophobicContact CB-CD1 4.09Å; F319-I321 HydrophobicContact CB-CG1 4.19Å; F319-I321 PolarHBondContact O-N 3.49Å; I321-K323 PolarHBondContact O-N 2.74Å
322	G	48.6	Very low	51.7	Low	67 Å²	67	141.9 Å²	141.9	69%	0.691	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	121.7	-169.6	0	0	0	0	0	113.9	N320 G324	N320-G322 PolarHBondContact O-N 3.11Å; N320-G322 VanDerWaalsContact O-N 3.11Å; G322-G324 VanDerWaalsContact C-N 3.27Å; G322-G324 PolarHBondContact O-N 3.19Å
323	K	46.4	Very low	51.2	Low	220 Å²	220	141.1 Å²	141.1	96%	0.957	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.4	33.8	155.1	-61.9	-177.8	179.4	175	0	117	I321	I321-K323 PolarHBondContact O-N 2.74Å
324	G	46.2	Very low	51	Low	65 Å²	65	135.4 Å²	135.4	67%	0.67	76%	0.762	S	S	*	*			trans	-86	137.4	170.6	0	0	0	0	0	113	G322	G322-G324 VanDerWaalsContact C-N 3.27Å; G322-G324 PolarHBondContact O-N 3.19Å
325	K	52.4	Low	50.9	Low	213 Å²	213	137 Å²	137	93%	0.926	77%	0.774	S	S	*	*			trans	-84	121	-177.4	-72.2	-177.4	-179.4	175.1	0	113.2
326	R	39	Very low	51	Low	251 Å²	251	137.4 Å²	137.4	95%	0.947	76%	0.759	S	S	*	*			trans	62.7	73.9	141.7	-161.9	-168.5	-162.7	-168.4	6.8	117.2
327	A	49.7	Very low	51.7	Low	101 Å²	101	140.9 Å²	140.9	84%	0.835	75%	0.753	S	S	*	*			trans	-115.8	153.9	160.6	0	0	0	0	0	111.4
328	K	50.3	Low	52.5	Low	208 Å²	208	138.6 Å²	138.6	90%	0.904	74%	0.743	S	S	*	*			trans	-74.5	142.2	-178.7	-74.9	179.8	176.2	177	0	111.5	K330	K328-K330 PolarHBondContact O-N 2.93Å
329	S	46.7	Very low	53.2	Low	124 Å²	124	134.3 Å²	134.3	87%	0.867	72%	0.722	S	S	*	*			trans	-62.5	113.9	173.9	40.7	0	0	0	0	112.1
330	K	54.8	Low	53.3	Low	201 Å²	201	129.5 Å²	129.5	87%	0.874	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-97	127.9	151.7	-70.3	-178.1	178.7	178.6	0	107	K328 A332	K328-K330 PolarHBondContact O-N 2.93Å; K330-A332 PolarHBondContact O-N 3.11Å
331	T	56.1	Low	53.9	Low	143 Å²	143	126 Å²	126	88%	0.877	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-62.4	121.1	173.1	-50.7	0	0	0	0	108.9
332	A	54.4	Low	54.1	Low	78 Å²	78	124.8 Å²	124.8	65%	0.645	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-61.6	146	177.2	0	0	0	0	0	110.8	K330 A334	K330-A332 PolarHBondContact O-N 3.11Å; A332-A334 PolarHBondContact O-N 3.17Å
333	P	56.6	Low	54.4	Low	119 Å²	119	124.6 Å²	124.6	77%	0.773	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-62.4	124.6	174.2	27	-33.5	0	0	0	109.4	T335	P333-T335 PolarHBondContact O-N 3.5Å; P333-T335 VanDerWaalsContact O-N 3.11Å
334	A	57.2	Low	54.5	Low	49 Å²	49	117.3 Å²	117.3	41%	0.405	63%	0.634	S	S	.	*			trans	-76	101.4	178	0	0	0	0	0	109.7	A332 F336	A332-A334 PolarHBondContact O-N 3.17Å; A334-F336 HydrophobicContact CB-CE2 4.32Å; A334-F336 WeakPolarHBondContact O-CD2 3.34Å; A334-F336 WeakPolarHBondContact O-CE2 3.36Å
335	T	58.5	Low	54.7	Low	92 Å²	92	116.1 Å²	116.1	56%	0.564	62%	0.618	S	S	*	*			trans	-61.6	136.1	172.9	-53.3	0	0	0	0	110.5	D314 P333	D314-T335 PolarHBondContact N-O 3.13Å; P333-T335 PolarHBondContact O-N 3.5Å; P333-T335 VanDerWaalsContact O-N 3.11Å
336	F	58.2	Low	54.6	Low	96 Å²	96	109.2 Å²	109.2	42%	0.421	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.1	123.3	175	-69.8	-90.4	0	0	0	109.3	L311 R312 R313 A334	L311-F336 HydrophobicContact CB-CB 4.19Å; L311-F336 HydrophobicContact CB-CD1 3.94Å; L311-F336 HydrophobicContact CB-CG 4.43Å; L311-F336 HydrophobicContact CD1-CB 4.15Å; L311-F336 HydrophobicContact CD1-CD1 4.33Å; L311-F336 HydrophobicContact CD1-CG 4.27Å; L311-F336 HydrophobicContact CD2-CB 4.28Å; L311-F336 HydrophobicContact CG-CB 4.44Å; R312-F336 VanDerWaalsContact O-CA 3.29Å; R312-F336 WeakPolarHBondContact O-CA 3.47Å; R313-F336 HydrophobicContact CB-CD1 3.98Å; R313-F336 HydrophobicContact CB-CE1 3.75Å; A334-F336 HydrophobicContact CB-CE2 4.32Å; A334-F336 WeakPolarHBondContact O-CD2 3.34Å; A334-F336 WeakPolarHBondContact O-CE2 3.36Å
337	R	67.9	Low	55.1	Low	163 Å²	163	99.2 Å²	99.2	62%	0.615	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.7	137	169.8	-60.7	-172.3	-167	-126.5	-3.6	109.7	L311 R312 D314 V339	L311-R337 WeakPolarHBondContact CA-O 3.37Å; R312-R337 PolarHBondContact N-O 3.16Å; R312-R337 VanDerWaalsContact N-O 3.08Å; R312-R337 PolarHBondContact O-N 3.27Å; R312-R337 VanDerWaalsContact O-N 3.09Å; D314-R337 IonicContact OD1-NE 3.04Å; D314-R337 IonicContact OD2-CZ 3.84Å; D314-R337 IonicContact OD2-NE 3.75Å; D314-R337 PolarHBondContact OD2-NE 3.15Å; D314-R337 IonicContact OD2-NH2 2.94Å; D314-R337 PolarHBondContact OD2-NH2 3.36Å; R337-V339 PolarHBondContact O-N 2.94Å
338	I	67.9	Low	55.1	Low	110 Å²	110	101 Å²	101	56%	0.564	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.6	117.5	162.8	-62.3	174.4	0	0	0	106.2	I309 L311	I309-I338 HydrophobicContact CG2-CB 4.47Å; I309-I338 HydrophobicContact CG2-CD1 4.35Å; I309-I338 HydrophobicContact CG2-CG1 3.94Å; I309-I338 HydrophobicContact CG2-CG2 3.98Å; L311-I338 HydrophobicContact CD2-CG1 3.8Å
339	V	61.5	Low	54.8	Low	53 Å²	53	94.3 Å²	94.3	32%	0.321	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	-51.9	178.5	172.1	0	0	0	0	110.2	R310 R312 R337	R310-V339 PolarHBondContact O-N 2.74Å; R310-V339 VanDerWaalsContact O-N 3.1Å; R312-V339 HydrophobicContact CB-CG2 3.8Å; R312-V339 HydrophobicContact CG-CG2 3.64Å; R337-V339 PolarHBondContact O-N 2.94Å
340	E	53	Low	54.7	Low	72 Å²	72	89.9 Å²	89.9	34%	0.336	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.5	-179.8	-75.2	152.9	140.7	0	0	108.5	R310 W342	R310-E340 PolarHBondContact N-O 3.06Å; E340-W342 HydrophobicContact CB-CD2 4.42Å; E340-W342 HydrophobicContact CB-CH2 4.42Å; E340-W342 HydrophobicContact CB-CZ2 3.66Å; E340-W342 HydrophobicContact CG-CH2 4.08Å; E340-W342 HydrophobicContact CG-CZ2 3.66Å; E340-W342 WeakPolarHBondContact OE1-CH2 3.15Å; E340-W342 VanDerWaalsContact OE1-CZ2 3.26Å; E340-W342 WeakPolarHBondContact OE1-CZ2 3.46Å
341	S	57.8	Low	54.1	Low	78 Å²	78	83.9 Å²	83.9	55%	0.545	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114	170.6	58.9	0	0	0	0	108.9
342	W	53	Low	53.7	Low	118 Å²	118	84.6 Å²	84.6	45%	0.447	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	151.5	176.4	-25.4	81.1	0	0	0	109	K308 E340 D346	K308-W342 PolarHBondContact N-O 2.76Å; K308-W342 PolarHBondContact O-N 2.79Å; K308-W342 VanDerWaalsContact O-N 3.16Å; E340-W342 HydrophobicContact CB-CD2 4.42Å; E340-W342 HydrophobicContact CB-CH2 4.42Å; E340-W342 HydrophobicContact CB-CZ2 3.66Å; E340-W342 HydrophobicContact CG-CH2 4.08Å; E340-W342 HydrophobicContact CG-CZ2 3.66Å; E340-W342 WeakPolarHBondContact OE1-CH2 3.15Å; E340-W342 VanDerWaalsContact OE1-CZ2 3.26Å; E340-W342 WeakPolarHBondContact OE1-CZ2 3.46Å; W342-D346 HydrophobicContact CB-CB 4.18Å
343	C	54.1	Low	53.4	Low	63 Å²	63	86.3 Å²	86.3	43%	0.426	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	153.8	158.4	-62.8	0	0	0	0	108	A345 D346	C343-A345 HydrophobicContact CB-CB 4.02Å; C343-A345 PolarHBondContact O-N 2.95Å; C343-D346 WeakPolarHBondContact CA-OD2 3.41Å; C343-D346 WeakPolarHBondContact CB-OD2 3.25Å; C343-D346 PolarHBondContact N-OD2 3.19Å; C343-D346 PolarHBondContact O-N 3.44Å
344	D	49	Very low	52.9	Low	67 Å²	67	88.5 Å²	88.5	36%	0.358	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-59.3	-12.9	170.1	-92.7	-36.8	0	0	0	112.3	G306 K308 D346	G306-D344 PolarHBondContact N-OD2 2.96Å; G306-D344 PolarHBondContact O-N 3.44Å; K308-D344 WeakPolarHBondContact CD-OD1 3.47Å; K308-D344 IonicContact NZ-OD1 3.73Å; D344-D346 PolarHBondContact O-N 2.92Å
345	A	51.9	Low	52.4	Low	40 Å²	40	90.8 Å²	90.8	33%	0.331	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-61	-24.7	168.5	0	0	0	0	0	113.9	C343 R355	C343-A345 HydrophobicContact CB-CB 4.02Å; C343-A345 PolarHBondContact O-N 2.95Å; A345-R355 VanDerWaalsContact CA-NH1 3.33Å; A345-R355 VanDerWaalsContact O-CZ 3.27Å; A345-R355 PolarHBondContact O-NH1 3.26Å; A345-R355 PolarHBondContact O-NH2 2.89Å
346	D	50.1	Low	51.9	Low	68 Å²	68	89.5 Å²	89.5	36%	0.364	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-107.6	3.2	-166.1	-44.6	-48.3	0	0	0	112.7	W342 C343 D344 P348	W342-D346 HydrophobicContact CB-CB 4.18Å; C343-D346 WeakPolarHBondContact CA-OD2 3.41Å; C343-D346 WeakPolarHBondContact CB-OD2 3.25Å; C343-D346 PolarHBondContact N-OD2 3.19Å; C343-D346 PolarHBondContact O-N 3.44Å; D344-D346 PolarHBondContact O-N 2.92Å; D346-P348 WeakPolarHBondContact O-CD 3.44Å
347	A	49.5	Very low	51.2	Low	40 Å²	40	94.5 Å²	94.5	33%	0.331	51%	0.506	S	S	.	.			trans	-64.6	126.4	-179.8	0	0	0	0	0	112.2	G349 G350	A347-G349 PolarHBondContact O-N 3.47Å; A347-G350 PolarHBondContact O-N 3.29Å
348	P	48.6	Very low	50.1	Low	139 Å²	139	89.6 Å²	89.6	90%	0.903	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	122.5	172.7	-25.1	35	0	0	0	111	D346	D346-P348 WeakPolarHBondContact O-CD 3.44Å
349	G	43.9	Very low	49	Very low	67 Å²	67	87.9 Å²	87.9	69%	0.691	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.4	-1.9	-171.3	0	0	0	0	0	115.4	A347 D351	A347-G349 PolarHBondContact O-N 3.47Å; G349-D351 PolarHBondContact O-N 3Å
350	G	44.6	Very low	48.3	Very low	31 Å²	31	90.7 Å²	90.7	32%	0.32	52%	0.52	S	S	.	.			trans	-74.4	52.1	177.2	0	0	0	0	0	115.7	A347 F352 R355	A347-G350 PolarHBondContact O-N 3.29Å; G350-F352 PolarHBondContact O-N 2.81Å; G350-R355 PolarHBondContact O-NH2 3.48Å
351	D	42	Very low	47.5	Very low	75 Å²	75	90.4 Å²	90.4	40%	0.401	53%	0.526	S	S	.	.			trans	-19	103.9	-173.5	-79.9	-38.5	0	0	0	116.5	G349 T353 R354 R355	G349-D351 PolarHBondContact O-N 3Å; D351-T353 PolarHBondContact O-N 3.2Å; D351-R354 HydrophobicContact CB-CB 4.29Å; D351-R354 HydrophobicContact CB-CG 4.33Å; D351-R354 PolarHBondContact O-N 3.21Å; D351-R354 IonicContact OD2-CZ 3.22Å; D351-R354 IonicContact OD2-NH1 2.93Å; D351-R354 PolarHBondContact OD2-NH1 3.25Å; D351-R354 IonicContact OD2-NH2 2.99Å; D351-R354 PolarHBondContact OD2-NH2 3.12Å; D351-R355 PolarHBondContact O-N 2.83Å
352	F	47.6	Very low	46.5	Very low	158 Å²	158	95 Å²	95	69%	0.693	54%	0.544	S	S	*	.	H	α-helix	trans	-53.1	-38.8	175	-79.6	-95.3	0	0	0	112.1	G350 R354 R355 A356	G350-F352 PolarHBondContact O-N 2.81Å; F352-R354 VanDerWaalsContact C-N 3.31Å; F352-R354 PolarHBondContact O-N 3.16Å; F352-R355 WeakPolarHBondContact O-CA 3.49Å; F352-R355 WeakPolarHBondContact O-CB 3.4Å; F352-R355 PolarHBondContact O-N 2.99Å; F352-A356 PolarHBondContact O-N 3.04Å
353	T	47.8	Very low	46	Very low	114 Å²	114	92.9 Å²	92.9	70%	0.699	55%	0.547	S	S	*	.	H	α-helix	trans	-60.3	-35.1	177.9	-41.1	0	0	0	0	113.2	D351	D351-T353 PolarHBondContact O-N 3.2Å
354	R	47.4	Very low	45.5	Very low	166 Å²	166	97 Å²	97	63%	0.626	57%	0.571	S	S	*	*	H	α-helix	trans	-73.7	-35.1	172.4	-75.5	-158.4	-73.6	-74.5	-4.6	111.4	D351 F352 A356 R357 A358	D351-R354 HydrophobicContact CB-CB 4.29Å; D351-R354 HydrophobicContact CB-CG 4.33Å; D351-R354 PolarHBondContact O-N 3.21Å; D351-R354 IonicContact OD2-CZ 3.22Å; D351-R354 IonicContact OD2-NH1 2.93Å; D351-R354 PolarHBondContact OD2-NH1 3.25Å; D351-R354 IonicContact OD2-NH2 2.99Å; D351-R354 PolarHBondContact OD2-NH2 3.12Å; F352-R354 VanDerWaalsContact C-N 3.31Å; F352-R354 PolarHBondContact O-N 3.16Å; R354-A356 PolarHBondContact O-N 2.85Å; R354-R357 PolarHBondContact O-N 2.71Å; R354-A358 PolarHBondContact O-N 3.47Å
355	R	46.8	Very low	45.4	Very low	97 Å²	97	96.3 Å²	96.3	37%	0.366	57%	0.571	S	S	.	*	H	α-helix	trans	-65.1	-35.7	176.8	-120.6	179.2	-69.4	-173.6	-2.2	113	A345 G350 D351 F352 A358 A359	A345-R355 VanDerWaalsContact CA-NH1 3.33Å; A345-R355 VanDerWaalsContact O-CZ 3.27Å; A345-R355 PolarHBondContact O-NH1 3.26Å; A345-R355 PolarHBondContact O-NH2 2.89Å; G350-R355 PolarHBondContact O-NH2 3.48Å; D351-R355 PolarHBondContact O-N 2.83Å; F352-R355 WeakPolarHBondContact O-CA 3.49Å; F352-R355 WeakPolarHBondContact O-CB 3.4Å; F352-R355 PolarHBondContact O-N 2.99Å; R355-A358 PolarHBondContact O-N 2.7Å; R355-A359 WeakPolarHBondContact O-CB 3.21Å; R355-A359 PolarHBondContact O-N 3.27Å
356	A	48.5	Very low	45.3	Very low	64 Å²	64	96.1 Å²	96.1	53%	0.529	57%	0.567	S	S	.	*	H	α-helix	trans	-60	-46.4	173	0	0	0	0	0	112.6	F352 R354 A358 A359 T360	F352-A356 PolarHBondContact O-N 3.04Å; R354-A356 PolarHBondContact O-N 2.85Å; A356-A358 VanDerWaalsContact C-N 3.35Å; A356-A359 PolarHBondContact O-N 3.35Å; A356-T360 PolarHBondContact O-N 3.37Å
357	R	41.9	Very low	45.1	Very low	202 Å²	202	99.3 Å²	99.3	76%	0.762	59%	0.589	S	S	*	*	H	α-helix	trans	-71.8	-23.9	175	-79.1	-177.1	171.7	165	-1.4	114.1	R354 T360 S361	R354-R357 PolarHBondContact O-N 2.71Å; R357-T360 PolarHBondContact O-OG1 3.27Å; R357-S361 PolarHBondContact O-OG 3.06Å
358	A	44.7	Very low	45.2	Very low	59 Å²	59	99.3 Å²	99.3	49%	0.488	58%	0.581	S	S	.	*	H	α-helix	trans	-73.6	-38.6	170.5	0	0	0	0	0	111.5	R354 R355 A356 T360 S361	R354-A358 PolarHBondContact O-N 3.47Å; R355-A358 PolarHBondContact O-N 2.7Å; A356-A358 VanDerWaalsContact C-N 3.35Å; A358-T360 VanDerWaalsContact C-N 3.31Å; A358-T360 PolarHBondContact O-N 2.97Å; A358-S361 CarbonylContact O-C 3.6Å; A358-S361 PolarHBondContact O-N 3.22Å
359	A	46.3	Very low	45	Very low	74 Å²	74	96.9 Å²	96.9	61%	0.612	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-32.4	178.3	0	0	0	0	0	113.2	R355 A356 S361	R355-A359 WeakPolarHBondContact O-CB 3.21Å; R355-A359 PolarHBondContact O-N 3.27Å; A356-A359 PolarHBondContact O-N 3.35Å; A359-S361 PolarHBondContact O-N 3.01Å
360	T	45.6	Very low	45.6	Very low	113 Å²	113	94.4 Å²	94.4	69%	0.693	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.7	172.7	56	0	0	0	0	114	A356 R357 A358	A356-T360 PolarHBondContact O-N 3.37Å; R357-T360 PolarHBondContact O-OG1 3.27Å; A358-T360 VanDerWaalsContact C-N 3.31Å; A358-T360 PolarHBondContact O-N 2.97Å
361	S	36.8	Very low	45.7	Very low	66 Å²	66	97.4 Å²	97.4	46%	0.462	55%	0.551	S	S	.	*	S	Bend	trans	-127.9	108.4	-166	-53.2	0	0	0	0	111.1	R357 A358 A359	R357-S361 PolarHBondContact O-OG 3.06Å; A358-S361 CarbonylContact O-C 3.6Å; A358-S361 PolarHBondContact O-N 3.22Å; A359-S361 PolarHBondContact O-N 3.01Å
362	N	37.4	Very low	46.2	Very low	174 Å²	174	100 Å²	100	93%	0.93	58%	0.575	S	S	*	*	S	Bend	trans	78.7	24.3	173.9	-50.2	-16.7	0	0	0	117.9
363	S	41.5	Very low	46.8	Very low	73 Å²	73	93.8 Å²	93.8	51%	0.51	56%	0.555	S	S	.	*			trans	-129.9	123.2	165.9	-178.6	0	0	0	0	111.5	S365	S363-S365 PolarHBondContact O-N 3.12Å; S363-S365 PolarHBondContact OG-OG 2.93Å
364	T	42.9	Very low	48.1	Very low	150 Å²	150	88.8 Å²	88.8	92%	0.92	53%	0.526	S	S	*	.			trans	-77.5	37.4	177	-6.9	0	0	0	0	112.8
365	S	47.4	Very low	50	Low	52 Å²	52	81.1 Å²	81.1	36%	0.364	50%	0.498	S	S	.	.			trans	-78.4	125	173.6	-59.6	0	0	0	0	108.5	S363 T367	S363-S365 PolarHBondContact O-N 3.12Å; S363-S365 PolarHBondContact OG-OG 2.93Å; S365-T367 PolarHBondContact O-N 3.29Å; S365-T367 VanDerWaalsContact O-N 3.11Å
366	P	49.3	Very low	52.1	Low	37 Å²	37	81.7 Å²	81.7	24%	0.24	50%	0.5	C	S	.	.			trans	-74.3	107.9	-175.6	27.6	-31.3	0	0	0	110.1	F368 Y390 Y461 L470	P366-F368 PolarHBondContact O-N 2.78Å; P366-Y390 WeakPolarHBondContact CD-OH 3.49Å; P366-Y461 HydrophobicContact CG-CD1 4.12Å; P366-Y461 HydrophobicContact CG-CE1 3.81Å; P366-Y461 WeakPolarHBondContact O-CE1 3.48Å; P366-L470 HydrophobicContact CG-CD2 3.81Å
367	T	46.3	Very low	54.1	Low	134 Å²	134	81.5 Å²	81.5	82%	0.822	49%	0.492	S	S	*	.			trans	-55.3	125.6	174.5	-47.1	0	0	0	0	110.3	S365	S365-T367 PolarHBondContact O-N 3.29Å; S365-T367 VanDerWaalsContact O-N 3.11Å
368	F	51.1	Low	56.5	Low	40 Å²	40	73.8 Å²	73.8	18%	0.175	48%	0.475	C	S	.	.			trans	-123.4	132.9	174.5	62.2	-73.4	0	0	0	107.8	P366 L370 L460 Y461 P462	P366-F368 PolarHBondContact O-N 2.78Å; F368-L370 HydrophobicContact CD2-CG 4.15Å; F368-L370 HydrophobicContact CE2-CD1 4.29Å; F368-L370 HydrophobicContact CE2-CD2 4.05Å; F368-L370 HydrophobicContact CE2-CG 3.75Å; F368-L460 WeakPolarHBondContact CZ-O 3.38Å; F368-Y461 AromaticContact CD1-CD1 3.27Å; F368-Y461 HydrophobicContact CD1-CD1 3.27Å; F368-Y461 AromaticContact CD1-CE1 3.59Å; F368-Y461 HydrophobicContact CD1-CE1 3.59Å; F368-Y461 HydrophobicContact CD1-CG 4.2Å; F368-Y461 AromaticContact CE1-CD1 3.32Å; F368-Y461 HydrophobicContact CE1-CD1 3.32Å; F368-Y461 AromaticContact CE1-CE1 3.48Å; F368-Y461 HydrophobicContact CE1-CE1 3.48Å; F368-Y461 VanDerWaalsContact CE1-CE1 3.48Å; F368-Y461 AromaticContact CE1-CG 3.93Å; F368-Y461 HydrophobicContact CE1-CG 3.93Å; F368-Y461 HydrophobicContact CG-CD1 4.18Å; F368-Y461 HydrophobicContact CZ-CD1 4.22Å; F368-Y461 HydrophobicContact CZ-CG 4.45Å; F368-P462 VanDerWaalsContact CD2-CD 3.46Å; F368-P462 HydrophobicContact CD2-CG 4.19Å; F368-P462 VanDerWaalsContact CE2-CD 3.46Å; F368-P462 HydrophobicContact CE2-CG 4.29Å
369	S	46	Very low	58.8	Low	88 Å²	88	72.7 Å²	72.7	62%	0.615	46%	0.461	S	S	*	.			trans	-69.4	133.4	153.2	42.1	0	0	0	0	107.4	V371	S369-V371 WeakPolarHBondContact O-CG2 3.45Å; S369-V371 PolarHBondContact O-N 2.83Å; S369-V371 VanDerWaalsContact O-N 3.07Å
370	L	56.3	Low	61.1	Low	15 Å²	15	70 Å²	70	8%	0.079	44%	0.437	C	S	.	.			trans	-67.2	102.4	162.4	-88.8	157.4	0	0	0	107	F368 S372 G373 L375 P434 P462	F368-L370 HydrophobicContact CD2-CG 4.15Å; F368-L370 HydrophobicContact CE2-CD1 4.29Å; F368-L370 HydrophobicContact CE2-CD2 4.05Å; F368-L370 HydrophobicContact CE2-CG 3.75Å; L370-S372 PolarHBondContact O-N 3.12Å; L370-G373 WeakPolarHBondContact CB-O 3.32Å; L370-L375 HydrophobicContact CD2-CD2 3.78Å; L370-L375 HydrophobicContact CD2-CG 3.91Å; L370-P434 HydrophobicContact CD1-CB 4.19Å; L370-P462 HydrophobicContact CD2-CG 3.75Å
371	V	45.9	Very low	63.5	Low	95 Å²	95	64.7 Å²	64.7	58%	0.576	40%	0.404	S	S	*	.			trans	-77.3	108.2	-170.3	-171.5	0	0	0	0	109.1	S369 G373	S369-V371 WeakPolarHBondContact O-CG2 3.45Å; S369-V371 PolarHBondContact O-N 2.83Å; S369-V371 VanDerWaalsContact O-N 3.07Å; V371-G373 VanDerWaalsContact C-N 3.27Å; V371-G373 PolarHBondContact O-N 2.78Å
372	S	53.3	Low	66.4	Low	130 Å²	130	61.6 Å²	61.6	91%	0.909	38%	0.382	S	S	*	.	S	Bend	trans	66.5	10.4	173.1	-57.6	0	0	0	0	117.4	L370	L370-S372 PolarHBondContact O-N 3.12Å
373	G	59.1	Low	69.2	Low	27 Å²	27	53.3 Å²	53.3	28%	0.278	34%	0.338	S	S	.	.	S	Bend	trans	-178.3	153.1	170.2	0	0	0	0	0	113.2	L370 V371	L370-G373 WeakPolarHBondContact CB-O 3.32Å; V371-G373 VanDerWaalsContact C-N 3.27Å; V371-G373 PolarHBondContact O-N 2.78Å
374	G	76.5	Confident	71.8	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	33%	0.326	C	S	.	.			trans	-67.9	171.7	167.8	0	0	0	0	0	112.7	T430 P431	G374-T430 WeakPolarHBondContact CA-O 3.49Å; G374-T430 VanDerWaalsContact CA-OG1 3.3Å; G374-T430 WeakPolarHBondContact CA-OG1 3.34Å; G374-P431 WeakPolarHBondContact CA-O 3.29Å
375	L	87.3	Confident	74.2	Confident	5 Å²	5	48 Å²	48	3%	0.026	30%	0.295	C	S	.	.			trans	-72.8	135.5	176.1	-63.4	174.7	0	0	0	110.1	L370 V381 I398 A429 T430 C457 L460 P462	L370-L375 HydrophobicContact CD2-CD2 3.78Å; L370-L375 HydrophobicContact CD2-CG 3.91Å; L375-V381 HydrophobicContact CD2-CG1 3.86Å; L375-I398 WeakPolarHBondContact O-CD1 3.16Å; L375-A429 CarbonylContact O-C 3.58Å; L375-A429 VanDerWaalsContact O-CA 3.32Å; L375-A429 WeakPolarHBondContact O-CA 3.21Å; L375-T430 HydrophobicContact CB-CG2 4.18Å; L375-T430 PolarHBondContact N-OG1 3.3Å; L375-T430 PolarHBondContact O-N 3.19Å; L375-C457 HydrophobicContact CD1-CB 4.06Å; L375-L460 HydrophobicContact CD1-CB 3.64Å; L375-L460 HydrophobicContact CD1-CD1 4.1Å; L375-L460 HydrophobicContact CD1-CG 4.43Å; L375-P462 HydrophobicContact CD2-CG 4.26Å
376	R	89.7	Confident	76.3	Confident	109 Å²	109	49.7 Å²	49.7	41%	0.411	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-118.1	163.3	-178	-52.6	167	-63.2	161.5	9.8	112	D379 V395 L428 A429	R376-D379 WeakPolarHBondContact CA-OD2 3.17Å; R376-D379 VanDerWaalsContact CB-OD2 3.25Å; R376-D379 WeakPolarHBondContact CB-OD2 3.41Å; R376-D379 IonicContact CZ-OD1 3.85Å; R376-D379 IonicContact CZ-OD2 3.7Å; R376-D379 PolarHBondContact N-OD2 3.29Å; R376-D379 IonicContact NE-OD1 2.65Å; R376-D379 PolarHBondContact NE-OD1 2.87Å; R376-D379 IonicContact NE-OD2 3.68Å; R376-D379 PolarHBondContact NE-OD2 3.47Å; R376-D379 IonicContact NH2-OD1 2.64Å; R376-D379 PolarHBondContact NH2-OD1 2.94Å; R376-D379 IonicContact NH2-OD2 2.7Å; R376-D379 WeakPolarHBondContact O-CB 3.19Å; R376-D379 PolarHBondContact O-N 3.24Å; R376-V395 WeakPolarHBondContact O-CB 3.26Å; R376-V395 WeakPolarHBondContact O-CG1 3.37Å; R376-L428 WeakPolarHBondContact CA-O 3.43Å; R376-L428 WeakPolarHBondContact CB-O 3.22Å; R376-A429 HydrophobicContact CG-CB 3.73Å
377	V	90.7	Very high	78.4	Confident	59 Å²	59	52.1 Å²	52.1	36%	0.358	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	138.3	162.2	180	0	0	0	0	109.2	D379 N396 I398 L428	V377-D379 VanDerWaalsContact C-N 3.34Å; V377-N396 WeakPolarHBondContact CG1-O 3.13Å; V377-I398 HydrophobicContact CG2-CG1 4.24Å; V377-L428 PolarHBondContact N-O 3.35Å; V377-L428 VanDerWaalsContact N-O 3.12Å
378	G	91.6	Very high	80.7	Confident	41 Å²	41	50.9 Å²	50.9	42%	0.423	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-16.5	-173	0	0	0	0	0	115.2	V395	G378-V395 PolarHBondContact N-O 2.91Å
379	D	93.2	Very high	82.8	Confident	36 Å²	36	50.6 Å²	50.6	19%	0.193	33%	0.327	C	S	.	.			trans	-69.2	138.4	-179	-78.2	-33.6	0	0	0	112.2	R376 V377 V395	R376-D379 WeakPolarHBondContact CA-OD2 3.17Å; R376-D379 VanDerWaalsContact CB-OD2 3.25Å; R376-D379 WeakPolarHBondContact CB-OD2 3.41Å; R376-D379 IonicContact CZ-OD1 3.85Å; R376-D379 IonicContact CZ-OD2 3.7Å; R376-D379 PolarHBondContact N-OD2 3.29Å; R376-D379 IonicContact NE-OD1 2.65Å; R376-D379 PolarHBondContact NE-OD1 2.87Å; R376-D379 IonicContact NE-OD2 3.68Å; R376-D379 PolarHBondContact NE-OD2 3.47Å; R376-D379 IonicContact NH2-OD1 2.64Å; R376-D379 PolarHBondContact NH2-OD1 2.94Å; R376-D379 IonicContact NH2-OD2 2.7Å; R376-D379 WeakPolarHBondContact O-CB 3.19Å; R376-D379 PolarHBondContact O-N 3.24Å; V377-D379 VanDerWaalsContact C-N 3.34Å; D379-V395 PolarHBondContact O-N 3.29Å
380	I	95.6	Very high	85.2	Confident	18 Å²	18	48.5 Å²	48.5	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.8	173	-55.7	-53.6	0	0	0	109.6	S393 Q394 L447 F463 A487 I490 V491	I380-S393 WeakPolarHBondContact CA-O 3.3Å; I380-Q394 HydrophobicContact CD1-CB 3.62Å; I380-Q394 HydrophobicContact CD1-CG 3.74Å; I380-L447 HydrophobicContact CG2-CD1 4.22Å; I380-F463 HydrophobicContact CB-CB 4.43Å; I380-F463 HydrophobicContact CG2-CB 4Å; I380-F463 HydrophobicContact CG2-CD1 4.45Å; I380-F463 HydrophobicContact CG2-CD2 4.3Å; I380-F463 HydrophobicContact CG2-CG 4Å; I380-F463 WeakPolarHBondContact O-CB 3.47Å; I380-F463 PolarHBondContact O-N 2.76Å; I380-A487 HydrophobicContact CG2-CB 3.99Å; I380-I490 HydrophobicContact CD1-CD1 4.2Å; I380-I490 HydrophobicContact CD1-CG2 3.95Å; I380-I490 HydrophobicContact CG1-CB 4.25Å; I380-I490 HydrophobicContact CG1-CG2 3.75Å; I380-V491 HydrophobicContact CB-CG2 3.58Å; I380-V491 HydrophobicContact CG1-CG2 3.8Å; I380-V491 HydrophobicContact CG2-CG2 3.79Å
381	V	95.9	Very high	87.2	Confident	1 Å²	1	48 Å²	48	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158.4	-172.3	-64.4	0	0	0	0	111.4	L375 P392 S393 V395 L460 Y461	L375-V381 HydrophobicContact CD2-CG1 3.86Å; V381-P392 CarbonylContact O-C 3.55Å; V381-P392 WeakPolarHBondContact O-CA 3.42Å; V381-S393 PolarHBondContact N-O 2.91Å; V381-S393 PolarHBondContact O-N 2.94Å; V381-V395 HydrophobicContact CG1-CG2 4.02Å; V381-V395 HydrophobicContact CG2-CG2 3.94Å; V381-L460 HydrophobicContact CB-CB 4.3Å; V381-L460 HydrophobicContact CG1-CB 4.41Å; V381-L460 HydrophobicContact CG2-CB 4.26Å; V381-L460 HydrophobicContact CG2-CD1 4.44Å; V381-L460 HydrophobicContact CG2-CD2 4.16Å; V381-Y461 CarbonylContact C-O 3.57Å; V381-Y461 WeakPolarHBondContact CA-O 3.4Å
382	W	97.4	Very high	89.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.5	154.6	-62.7	93	0	0	0	108.5	P392 L460 Y461 F463 F467 L470 Y471 Y480 V484	W382-P392 HydrophobicContact CE3-CG 4.04Å; W382-P392 HydrophobicContact CH2-CG 4.04Å; W382-P392 HydrophobicContact CZ3-CG 3.65Å; W382-L460 CarbonylContact O-C 3.53Å; W382-L460 WeakPolarHBondContact O-CA 3.43Å; W382-Y461 PolarHBondContact N-O 3.45Å; W382-Y461 PolarHBondContact O-N 2.59Å; W382-F463 AromaticContact CD1-CD2 3.87Å; W382-F463 HydrophobicContact CD2-CD2 4.1Å; W382-F463 HydrophobicContact CD2-CE2 4.34Å; W382-F463 AromaticContact CE2-CD2 3.56Å; W382-F463 AromaticContact CE2-CE2 3.63Å; W382-F463 HydrophobicContact CG-CD2 4.29Å; W382-F463 HydrophobicContact CH2-CE2 4.14Å; W382-F463 AromaticContact CZ2-CD2 3.98Å; W382-F463 HydrophobicContact CZ2-CD2 3.98Å; W382-F463 AromaticContact CZ2-CE2 3.52Å; W382-F463 HydrophobicContact CZ2-CE2 3.52Å; W382-F463 HydrophobicContact CZ2-CZ 4.33Å; W382-F463 AromaticContact NE1-CD2 3.37Å; W382-F463 AromaticContact NE1-CE2 3.86Å; W382-F463 PolarHBondContact NE1-O 2.93Å; W382-F463 VanDerWaalsContact NE1-O 3.16Å; W382-F467 HydrophobicContact CH2-CE2 4.43Å; W382-F467 AromaticContact CZ2-CD2 3.7Å; W382-F467 HydrophobicContact CZ2-CD2 3.7Å; W382-F467 AromaticContact CZ2-CE2 3.86Å; W382-F467 HydrophobicContact CZ2-CE2 3.86Å; W382-L470 HydrophobicContact CB-CD1 3.51Å; W382-L470 HydrophobicContact CD2-CB 3.81Å; W382-L470 HydrophobicContact CD2-CD1 4.38Å; W382-L470 HydrophobicContact CE3-CB 4.26Å; W382-L470 HydrophobicContact CG-CB 3.93Å; W382-L470 HydrophobicContact CG-CD1 3.62Å; W382-L470 HydrophobicContact CG-CG 4.42Å; W382-Y471 HydrophobicContact CH2-CD2 4.16Å; W382-Y471 HydrophobicContact CH2-CG 4.5Å; W382-Y480 HydrophobicContact CZ3-CE2 4.19Å; W382-V484 HydrophobicContact CH2-CG2 3.87Å; W382-V484 HydrophobicContact CZ3-CG2 4.29Å
383	A	96.6	Very high	91.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	147.5	173.7	0	0	0	0	0	111	W391 S393 V444 W446 L455 L460	A383-W391 PolarHBondContact N-O 2.91Å; A383-W391 PolarHBondContact O-N 3.28Å; A383-S393 WeakPolarHBondContact CB-OG 2.99Å; A383-V444 HydrophobicContact CB-CG2 4.11Å; A383-W446 HydrophobicContact CB-CE3 4.19Å; A383-W446 HydrophobicContact CB-CH2 3.68Å; A383-W446 HydrophobicContact CB-CZ3 3.4Å; A383-W446 VanDerWaalsContact CB-CZ3 3.4Å; A383-L455 HydrophobicContact CB-CD1 3.85Å; A383-L460 HydrophobicContact CB-CD2 3.51Å
384	K	95.6	Very high	93.5	Very high	60 Å²	60	39 Å²	39	26%	0.261	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	100	-177.9	-176.3	52.4	-179	175.7	0	113.3	Y388 Y390 K459 Y461	K384-Y388 PolarHBondContact NZ-O 2.95Å; K384-Y390 HydrophobicContact CB-CD1 3.79Å; K384-Y390 HydrophobicContact CB-CE1 3.69Å; K384-Y390 HydrophobicContact CD-CD1 3.84Å; K384-Y390 HydrophobicContact CD-CD2 4.29Å; K384-Y390 HydrophobicContact CD-CE1 3.76Å; K384-Y390 HydrophobicContact CD-CE2 4.22Å; K384-Y390 HydrophobicContact CD-CG 4.11Å; K384-Y390 HydrophobicContact CG-CD1 4.1Å; K384-Y390 HydrophobicContact CG-CE1 3.72Å; K384-K459 PolarHBondContact N-O 3.17Å; K384-Y461 HydrophobicContact CB-CE2 4.31Å
385	L	93.9	Very high	94.4	Very high	52 Å²	52	38.7 Å²	38.7	27%	0.272	23%	0.229	S	C	.	.			trans	-88.6	153.2	166.7	-167.4	58.2	0	0	0	111.3	Y388 W446 L455	L385-Y388 HydrophobicContact CB-CD2 4.18Å; L385-Y388 HydrophobicContact CD2-CD2 3.61Å; L385-Y388 HydrophobicContact CD2-CE2 3.87Å; L385-Y388 HydrophobicContact CD2-CG 4.47Å; L385-Y388 HydrophobicContact CG-CD2 3.86Å; L385-Y388 HydrophobicContact CG-CE2 4.45Å; L385-W446 HydrophobicContact CB-CH2 3.73Å; L385-W446 HydrophobicContact CB-CZ2 3.99Å; L385-W446 HydrophobicContact CD2-CZ2 4.14Å; L385-L455 HydrophobicContact CD1-CD2 4.38Å
386	A	91.8	Very high	94.7	Very high	87 Å²	87	41.2 Å²	41.2	72%	0.719	24%	0.243	S	C	*	.	S	Bend	trans	-72.2	139.7	177.3	0	0	0	0	0	110.9	Y388	A386-Y388 VanDerWaalsContact O-CD2 3.32Å; A386-Y388 WeakPolarHBondContact O-CD2 3.35Å; A386-Y388 PolarHBondContact O-N 3.06Å; A386-Y388 VanDerWaalsContact O-N 3.12Å
387	G	92.8	Very high	94.8	Very high	89 Å²	89	36.7 Å²	36.7	92%	0.918	23%	0.229	S	C	*	.	S	Bend	trans	78.7	-27.6	-176.3	0	0	0	0	0	115.5
388	Y	93.8	Very high	94.8	Very high	107 Å²	107	33.9 Å²	33.9	42%	0.42	21%	0.212	S	C	.	.	S	Bend	trans	-89.7	159.6	179.1	-67.5	-85.3	0	0	0	112.8	K384 L385 A386 W449	K384-Y388 PolarHBondContact NZ-O 2.95Å; L385-Y388 HydrophobicContact CB-CD2 4.18Å; L385-Y388 HydrophobicContact CD2-CD2 3.61Å; L385-Y388 HydrophobicContact CD2-CE2 3.87Å; L385-Y388 HydrophobicContact CD2-CG 4.47Å; L385-Y388 HydrophobicContact CG-CD2 3.86Å; L385-Y388 HydrophobicContact CG-CE2 4.45Å; A386-Y388 VanDerWaalsContact O-CD2 3.32Å; A386-Y388 WeakPolarHBondContact O-CD2 3.35Å; A386-Y388 PolarHBondContact O-N 3.06Å; A386-Y388 VanDerWaalsContact O-N 3.12Å; Y388-W449 HydrophobicContact CD1-CH2 4.16Å; Y388-W449 HydrophobicContact CD1-CZ3 4.29Å; Y388-W449 AromaticContact CE1-CH2 3.72Å; Y388-W449 HydrophobicContact CE1-CH2 3.72Å; Y388-W449 HydrophobicContact CE1-CZ3 4.29Å; Y388-W449 AromaticContact CZ-CH2 3.95Å
389	P	95.4	Very high	94.8	Very high	35 Å²	35	35.5 Å²	35.5	23%	0.227	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-62.8	171.4	165.5	29.6	-36.1	0	0	0	111.4	W391 T475 V477	P389-W391 HydrophobicContact CG-CE3 4.07Å; P389-W391 HydrophobicContact CG-CZ3 4.4Å; P389-T475 HydrophobicContact CB-CG2 4.31Å; P389-T475 HydrophobicContact CG-CG2 3.96Å; P389-V477 HydrophobicContact CG-CG2 4.49Å
390	Y	97.1	Very high	94.6	Very high	43 Å²	43	34.9 Å²	34.9	17%	0.169	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.6	164.6	-68.9	-92	0	0	0	108.7	P366 K384 Y461 L470 Y480	P366-Y390 WeakPolarHBondContact CD-OH 3.49Å; K384-Y390 HydrophobicContact CB-CD1 3.79Å; K384-Y390 HydrophobicContact CB-CE1 3.69Å; K384-Y390 HydrophobicContact CD-CD1 3.84Å; K384-Y390 HydrophobicContact CD-CD2 4.29Å; K384-Y390 HydrophobicContact CD-CE1 3.76Å; K384-Y390 HydrophobicContact CD-CE2 4.22Å; K384-Y390 HydrophobicContact CD-CG 4.11Å; K384-Y390 HydrophobicContact CG-CD1 4.1Å; K384-Y390 HydrophobicContact CG-CE1 3.72Å; Y390-Y461 HydrophobicContact CD1-CD2 4.38Å; Y390-Y461 HydrophobicContact CD1-CE2 4.36Å; Y390-Y461 HydrophobicContact CE1-CD2 4.12Å; Y390-Y461 AromaticContact CE1-CE2 3.72Å; Y390-Y461 HydrophobicContact CE1-CE2 3.72Å; Y390-L470 HydrophobicContact CD1-CD1 3.93Å; Y390-L470 HydrophobicContact CD1-CD2 3.82Å; Y390-L470 HydrophobicContact CD1-CG 4.42Å; Y390-L470 HydrophobicContact CD2-CD2 3.69Å; Y390-L470 HydrophobicContact CE1-CD1 4.32Å; Y390-L470 HydrophobicContact CE1-CD2 3.84Å; Y390-L470 HydrophobicContact CE2-CD2 3.71Å; Y390-L470 HydrophobicContact CG-CB 4.44Å; Y390-L470 HydrophobicContact CG-CD1 4.32Å; Y390-L470 HydrophobicContact CG-CD2 3.73Å; Y390-L470 HydrophobicContact CG-CG 4.39Å; Y390-Y480 WeakPolarHBondContact O-CE2 3.42Å
391	W	97.8	Very high	93.8	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.6	-170.5	-162.8	-82	0	0	0	111.6	A383 P389 S393 W446 L447 V477 K478 Y480 A483	A383-W391 PolarHBondContact N-O 2.91Å; A383-W391 PolarHBondContact O-N 3.28Å; P389-W391 HydrophobicContact CG-CE3 4.07Å; P389-W391 HydrophobicContact CG-CZ3 4.4Å; W391-S393 PolarHBondContact O-N 2.86Å; W391-S393 PolarHBondContact O-OG 2.78Å; W391-W446 HydrophobicContact CB-CE3 3.7Å; W391-W446 HydrophobicContact CB-CZ3 3.76Å; W391-W446 AromaticContact CD1-CE3 3.82Å; W391-W446 AromaticContact CG-CE3 3.97Å; W391-W446 HydrophobicContact CG-CE3 3.97Å; W391-W446 HydrophobicContact CG-CZ3 4.49Å; W391-L447 PolarHBondContact NE1-O 3.23Å; W391-V477 HydrophobicContact CH2-CB 4.44Å; W391-V477 HydrophobicContact CH2-CG1 4Å; W391-V477 HydrophobicContact CZ3-CB 4.02Å; W391-V477 HydrophobicContact CZ3-CG1 3.77Å; W391-K478 WeakPolarHBondContact CH2-O 3.08Å; W391-Y480 HydrophobicContact CD2-CD2 4.24Å; W391-Y480 AromaticContact CE3-CD2 3.7Å; W391-Y480 HydrophobicContact CE3-CD2 3.7Å; W391-Y480 VanDerWaalsContact CH2-CA 3.5Å; W391-Y480 HydrophobicContact CH2-CD2 4.47Å; W391-Y480 VanDerWaalsContact CH2-N 3.33Å; W391-Y480 AromaticContact CZ3-CD2 3.84Å; W391-Y480 HydrophobicContact CZ3-CD2 3.84Å; W391-Y480 HydrophobicContact CZ3-CG 4.29Å; W391-A483 HydrophobicContact CZ2-CB 4.06Å
392	P	97.8	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.7	177.5	-17.6	31.5	0	0	0	111.6	V381 W382 L447 F463 A483 V484 A487	V381-P392 CarbonylContact O-C 3.55Å; V381-P392 WeakPolarHBondContact O-CA 3.42Å; W382-P392 HydrophobicContact CE3-CG 4.04Å; W382-P392 HydrophobicContact CH2-CG 4.04Å; W382-P392 HydrophobicContact CZ3-CG 3.65Å; P392-L447 HydrophobicContact CB-CD1 4.12Å; P392-L447 WeakPolarHBondContact O-CB 3.47Å; P392-L447 PolarHBondContact O-N 2.77Å; P392-F463 HydrophobicContact CB-CD2 4.26Å; P392-F463 HydrophobicContact CB-CE2 3.91Å; P392-F463 HydrophobicContact CG-CE2 3.99Å; P392-A483 HydrophobicContact CB-CB 4.44Å; P392-A483 HydrophobicContact CG-CB 4.05Å; P392-V484 HydrophobicContact CG-CB 4.44Å; P392-V484 HydrophobicContact CG-CG2 3.64Å; P392-A487 HydrophobicContact CB-CB 3.58Å; P392-A487 HydrophobicContact CG-CB 4.32Å
393	S	97.6	Very high	92.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.1	-174.9	-45.4	0	0	0	0	110.4	I380 V381 A383 W391 D445	I380-S393 WeakPolarHBondContact CA-O 3.3Å; V381-S393 PolarHBondContact N-O 2.91Å; V381-S393 PolarHBondContact O-N 2.94Å; A383-S393 WeakPolarHBondContact CB-OG 2.99Å; W391-S393 PolarHBondContact O-N 2.86Å; W391-S393 PolarHBondContact O-OG 2.78Å; S393-D445 CarbonylContact C-O 3.58Å; S393-D445 VanDerWaalsContact CA-O 3.23Å; S393-D445 WeakPolarHBondContact CA-O 3.4Å; S393-D445 WeakPolarHBondContact CB-O 3.38Å
394	Q	96.6	Very high	91.8	Very high	65 Å²	65	52.7 Å²	52.7	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145	170	-176.1	163.3	-14.3	0	0	109.8	I380 N396 V444 D445	I380-Q394 HydrophobicContact CD1-CB 3.62Å; I380-Q394 HydrophobicContact CD1-CG 3.74Å; Q394-N396 PolarHBondContact O-OD1 2.96Å; Q394-V444 CarbonylContact O-C 3.59Å; Q394-V444 WeakPolarHBondContact O-CA 3.2Å; Q394-V444 WeakPolarHBondContact O-CB 3.36Å; Q394-D445 PolarHBondContact N-O 2.85Å; Q394-D445 PolarHBondContact O-N 3.44Å
395	V	95.2	Very high	91.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.4	170.5	179.6	0	0	0	0	108.8	R376 G378 D379 V381 I398 A442 V444 L460	R376-V395 WeakPolarHBondContact O-CB 3.26Å; R376-V395 WeakPolarHBondContact O-CG1 3.37Å; G378-V395 PolarHBondContact N-O 2.91Å; D379-V395 PolarHBondContact O-N 3.29Å; V381-V395 HydrophobicContact CG1-CG2 4.02Å; V381-V395 HydrophobicContact CG2-CG2 3.94Å; V395-I398 HydrophobicContact CG1-CD1 3.99Å; V395-I398 HydrophobicContact CG1-CG1 3.68Å; V395-A442 HydrophobicContact CG1-CB 4.18Å; V395-V444 HydrophobicContact CG2-CG1 4.1Å; V395-L460 HydrophobicContact CG2-CD1 4.18Å
396	N	92.5	Very high	90.6	Very high	58 Å²	58	52.2 Å²	52.2	31%	0.31	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-24.4	-175.3	-67.9	61.6	0	0	0	113.2	V377 Q394 R443 D445	V377-N396 WeakPolarHBondContact CG1-O 3.13Å; Q394-N396 PolarHBondContact O-OD1 2.96Å; N396-R443 PolarHBondContact N-O 3.42Å; N396-R443 PolarHBondContact ND2-NH1 2.85Å; N396-D445 PolarHBondContact ND2-OD2 2.98Å
397	A	92	Very high	90	Very high	15 Å²	15	52.7 Å²	52.7	12%	0.124	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	152.6	174.3	0	0	0	0	0	109.7	W399 A442 R443	A397-W399 HydrophobicContact CB-CE3 4.49Å; A397-W399 HydrophobicContact CB-CH2 3.36Å; A397-W399 HydrophobicContact CB-CZ2 3.66Å; A397-W399 HydrophobicContact CB-CZ3 3.82Å; A397-A442 CarbonylContact O-C 3.44Å; A397-A442 WeakPolarHBondContact O-CA 3.37Å; A397-A442 WeakPolarHBondContact O-CB 3.43Å; A397-R443 HydrophobicContact CB-CB 4.32Å; A397-R443 PolarHBondContact O-N 3.03Å
398	I	91.4	Very high	89.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.5	175.6	-48.2	176.6	0	0	0	108.2	L375 V377 V395 A426 V427 T430 Y440 T441 A442	L375-I398 WeakPolarHBondContact O-CD1 3.16Å; V377-I398 HydrophobicContact CG2-CG1 4.24Å; V395-I398 HydrophobicContact CG1-CD1 3.99Å; V395-I398 HydrophobicContact CG1-CG1 3.68Å; I398-A426 CarbonylContact O-C 3.56Å; I398-A426 WeakPolarHBondContact O-CA 3.12Å; I398-V427 HydrophobicContact CB-CB 4.36Å; I398-V427 WeakPolarHBondContact CB-O 3.3Å; I398-V427 PolarHBondContact O-N 2.86Å; I398-T430 HydrophobicContact CD1-CG2 4.26Å; I398-T430 HydrophobicContact CG2-CG2 4.14Å; I398-Y440 HydrophobicContact CG2-CD1 4.16Å; I398-Y440 HydrophobicContact CG2-CG 4.48Å; I398-T441 CarbonylContact C-O 3.6Å; I398-T441 WeakPolarHBondContact CA-O 3.42Å; I398-A442 HydrophobicContact CG1-CB 4.12Å
399	W	90.8	Very high	88.4	Confident	74 Å²	74	47.3 Å²	47.3	28%	0.28	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.2	174.1	-61.6	-86.7	0	0	0	110.5	A397 L425 Y440 T441 R443 Y454	A397-W399 HydrophobicContact CB-CE3 4.49Å; A397-W399 HydrophobicContact CB-CH2 3.36Å; A397-W399 HydrophobicContact CB-CZ2 3.66Å; A397-W399 HydrophobicContact CB-CZ3 3.82Å; W399-L425 VanDerWaalsContact CD1-O 3.32Å; W399-Y440 WeakPolarHBondContact O-CA 3.33Å; W399-T441 PolarHBondContact N-O 3.46Å; W399-T441 PolarHBondContact O-N 3.28Å; W399-R443 HydrophobicContact CH2-CB 3.94Å; W399-R443 HydrophobicContact CZ3-CB 3.76Å; W399-Y454 HydrophobicContact CH2-CD1 4.48Å; W399-Y454 AromaticContact CH2-CE1 3.77Å; W399-Y454 HydrophobicContact CH2-CE1 3.77Å; W399-Y454 AromaticContact CZ3-CD1 3.85Å; W399-Y454 HydrophobicContact CZ3-CD1 3.85Å; W399-Y454 AromaticContact CZ3-CE1 3.6Å; W399-Y454 HydrophobicContact CZ3-CE1 3.6Å
400	A	88.6	Confident	87.2	Confident	24 Å²	24	49 Å²	49	20%	0.198	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	146.8	164.4	0	0	0	0	0	109.8	Q405 L406 V427 Y440	A400-Q405 HydrophobicContact CB-CB 3.83Å; A400-L406 HydrophobicContact CB-CB 4.08Å; A400-V427 HydrophobicContact CB-CG2 4.16Å; A400-Y440 HydrophobicContact CB-CD1 4.09Å; A400-Y440 HydrophobicContact CB-CE1 3.79Å
401	R	79.8	Confident	85.7	Confident	115 Å²	115	52.8 Å²	52.8	43%	0.434	29%	0.289	S	S	.	.	S	Bend	trans	-84.8	-17.7	174.9	-71.9	176.5	-152.1	147.4	21.5	113.6	A438 G439 T441 S456	R401-A438 PolarHBondContact NH1-O 2.97Å; R401-A438 VanDerWaalsContact NH1-O 3.12Å; R401-A438 PolarHBondContact NH2-O 2.95Å; R401-G439 WeakPolarHBondContact CD-O 3.2Å; R401-G439 WeakPolarHBondContact CG-O 3.49Å; R401-G439 PolarHBondContact NE-O 2.79Å; R401-T441 PolarHBondContact NE-OG1 2.81Å; R401-S456 PolarHBondContact NH2-OG 3.32Å
402	T	83.7	Confident	83.9	Confident	70 Å²	70	55.7 Å²	55.7	43%	0.429	30%	0.304	S	S	.	.	S	Bend	trans	-139.1	154.7	179.2	69.6	0	0	0	0	111.2	H404 Q405 L406	T402-H404 PolarHBondContact O-N 2.95Å; T402-Q405 WeakPolarHBondContact O-CB 3.37Å; T402-Q405 PolarHBondContact O-N 3.44Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.4Å; T402-Q405 PolarHBondContact OG1-N 3.15Å; T402-L406 PolarHBondContact O-N 3.42Å
403	A	82.2	Confident	81.7	Confident	82 Å²	82	60.8 Å²	60.8	68%	0.678	34%	0.337	S	S	*	.	H	α-helix	trans	-59	-33	173.9	0	0	0	0	0	112.6	Q405 L406 S407	A403-Q405 VanDerWaalsContact C-N 3.33Å; A403-Q405 PolarHBondContact O-N 3.18Å; A403-L406 WeakPolarHBondContact O-CB 3.45Å; A403-L406 PolarHBondContact O-N 3.32Å; A403-S407 PolarHBondContact O-N 2.99Å; A403-S407 PolarHBondContact O-OG 3.43Å
404	H	81.8	Confident	79.3	Confident	126 Å²	126	66 Å²	66	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-64.8	-34	173.1	179.7	-67.6	0	0	0	112.8	T402 S407 Q408	T402-H404 PolarHBondContact O-N 2.95Å; H404-S407 PolarHBondContact O-OG 3.31Å; H404-Q408 PolarHBondContact CE1-NE2 2.92Å; H404-Q408 WeakPolarHBondContact O-CG 3.41Å; H404-Q408 PolarHBondContact O-N 2.96Å
405	Q	82.7	Confident	76.8	Confident	32 Å²	32	68.3 Å²	68.3	15%	0.15	39%	0.392	C	S	.	.	H	α-helix	trans	-72	-42.8	171	-72.8	163	5.8	0	0	109.7	A400 T402 A403 S407 Q408 A409 G439 Y440	A400-Q405 HydrophobicContact CB-CB 3.83Å; T402-Q405 WeakPolarHBondContact O-CB 3.37Å; T402-Q405 PolarHBondContact O-N 3.44Å; T402-Q405 WeakPolarHBondContact OG1-CG 3.4Å; T402-Q405 PolarHBondContact OG1-N 3.15Å; A403-Q405 VanDerWaalsContact C-N 3.33Å; A403-Q405 PolarHBondContact O-N 3.18Å; Q405-S407 VanDerWaalsContact C-N 3.25Å; Q405-S407 PolarHBondContact O-N 3.31Å; Q405-Q408 WeakPolarHBondContact O-CA 3.39Å; Q405-Q408 WeakPolarHBondContact O-CB 3.35Å; Q405-Q408 PolarHBondContact O-N 3.47Å; Q405-A409 PolarHBondContact O-N 3.38Å; Q405-G439 PolarHBondContact OE1-O 2.81Å; Q405-Y440 HydrophobicContact CB-CE1 4.46Å; Q405-Y440 PolarHBondContact O-OH 2.92Å
406	L	80.5	Confident	74.5	Confident	70 Å²	70	76.9 Å²	76.9	37%	0.366	43%	0.433	S	S	.	.	H	α-helix	trans	-55	-39.7	175.7	-172.5	62.3	0	0	0	112.5	A400 T402 A403 Q408 A409 V427	A400-L406 HydrophobicContact CB-CB 4.08Å; T402-L406 PolarHBondContact O-N 3.42Å; A403-L406 WeakPolarHBondContact O-CB 3.45Å; A403-L406 PolarHBondContact O-N 3.32Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.19Å; L406-A409 WeakPolarHBondContact O-CB 3.2Å; L406-A409 PolarHBondContact O-N 3.2Å; L406-V427 HydrophobicContact CD1-CG2 3.66Å
407	S	80	Confident	72.2	Confident	96 Å²	96	76.7 Å²	76.7	67%	0.671	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.4	175.2	63.2	0	0	0	0	115.1	A403 H404 Q405	A403-S407 PolarHBondContact O-N 2.99Å; A403-S407 PolarHBondContact O-OG 3.43Å; H404-S407 PolarHBondContact O-OG 3.31Å; Q405-S407 VanDerWaalsContact C-N 3.25Å; Q405-S407 PolarHBondContact O-N 3.31Å
408	Q	78	Confident	69.9	Low	69 Å²	69	84.1 Å²	84.1	32%	0.322	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-15.4	171.5	-69.6	173.8	-41.8	0	0	112.6	H404 Q405 L406 P431 L436	H404-Q408 PolarHBondContact CE1-NE2 2.92Å; H404-Q408 WeakPolarHBondContact O-CG 3.41Å; H404-Q408 PolarHBondContact O-N 2.96Å; Q405-Q408 WeakPolarHBondContact O-CA 3.39Å; Q405-Q408 WeakPolarHBondContact O-CB 3.35Å; Q405-Q408 PolarHBondContact O-N 3.47Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.19Å; Q408-P431 HydrophobicContact CB-CG 3.97Å; Q408-P431 WeakPolarHBondContact O-CG 3.1Å; Q408-L436 HydrophobicContact CB-CD1 4.38Å
409	A	75.2	Confident	67.7	Low	15 Å²	15	90.4 Å²	90.4	12%	0.124	51%	0.506	C	S	.	.	S	Bend	trans	-72.6	144.3	-175.4	0	0	0	0	0	112.3	Q405 L406 L411 V427 Y440	Q405-A409 PolarHBondContact O-N 3.38Å; L406-A409 WeakPolarHBondContact O-CB 3.2Å; L406-A409 PolarHBondContact O-N 3.2Å; A409-L411 PolarHBondContact O-N 3.23Å; A409-V427 HydrophobicContact CB-CG1 3.36Å; A409-Y440 HydrophobicContact CB-CE1 4.37Å
410	T	69.7	Low	65.4	Low	69 Å²	69	92.5 Å²	92.5	42%	0.423	53%	0.532	S	S	.	.			trans	-85.8	97.8	174.3	-51.1	0	0	0	0	109.5	L412 A429	T410-L412 HydrophobicContact CG2-CD1 4.24Å; T410-L412 PolarHBondContact O-N 3.26Å; T410-L412 VanDerWaalsContact O-N 3.17Å; T410-A429 WeakPolarHBondContact O-CB 3.06Å
411	L	66.7	Low	63.3	Low	123 Å²	123	98.1 Å²	98.1	64%	0.644	56%	0.559	S	S	*	*			trans	-67.2	110.2	164.7	-60.1	-179.7	0	0	0	108.2	A409	A409-L411 PolarHBondContact O-N 3.23Å
412	L	60.2	Low	61.6	Low	66 Å²	66	96.5 Å²	96.5	35%	0.346	57%	0.57	S	S	.	*			trans	-70.3	141.6	167.8	-88.2	74.4	0	0	0	108.6	T410 T414 A429	T410-L412 HydrophobicContact CG2-CD1 4.24Å; T410-L412 PolarHBondContact O-N 3.26Å; T410-L412 VanDerWaalsContact O-N 3.17Å; L412-T414 PolarHBondContact O-N 3.17Å; L412-A429 HydrophobicContact CD1-CB 4.02Å
413	P	50.9	Low	59.2	Low	106 Å²	106	98.9 Å²	98.9	69%	0.688	59%	0.589	S	S	*	*			trans	-55.1	137.1	173.1	-25.9	35	0	0	0	111.7	S415	P413-S415 PolarHBondContact O-N 3.48Å
414	T	46.2	Very low	57.4	Low	111 Å²	111	98.8 Å²	98.8	68%	0.681	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-64.3	-4.7	-169.8	-37.8	0	0	0	0	114.8	L412 Q416 S417	L412-T414 PolarHBondContact O-N 3.17Å; T414-Q416 PolarHBondContact O-N 3.07Å; T414-S417 PolarHBondContact O-N 3.15Å
415	S	44.5	Very low	56.1	Low	112 Å²	112	99 Å²	99	78%	0.783	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-67.2	8.8	-177.5	53.7	0	0	0	0	116	P413	P413-S415 PolarHBondContact O-N 3.48Å
416	Q	47.8	Very low	55.1	Low	182 Å²	182	99.5 Å²	99.5	85%	0.85	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-131.6	11.5	169.4	-64.5	-170.6	-9.8	0	0	113.7	T414	T414-Q416 PolarHBondContact O-N 3.07Å
417	S	42.9	Very low	54.5	Low	53 Å²	53	96.2 Å²	96.2	37%	0.371	58%	0.581	S	S	.	*			trans	-109.5	84.1	-175.7	-170.9	0	0	0	0	111.7	T414 D419	T414-S417 PolarHBondContact O-N 3.15Å; S417-D419 PolarHBondContact O-N 3.09Å
418	L	45.2	Very low	54.2	Low	171 Å²	171	94.5 Å²	94.5	90%	0.895	56%	0.564	S	S	*	*			trans	-81	45	-178.7	-163	74.5	0	0	0	113
419	D	45.5	Very low	54.2	Low	133 Å²	133	91.4 Å²	91.4	71%	0.711	55%	0.55	S	S	*	*			trans	-144	91.1	-178.2	-82.3	-60	0	0	0	110.4	S417 N421	S417-D419 PolarHBondContact O-N 3.09Å; D419-N421 VanDerWaalsContact C-N 3.3Å; D419-N421 PolarHBondContact O-N 3.34Å
420	S	42	Very low	54.5	Low	118 Å²	118	90.7 Å²	90.7	83%	0.825	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	2.3	-168.6	-54.2	0	0	0	0	116
421	N	44.7	Very low	54.9	Low	141 Å²	141	87.8 Å²	87.8	75%	0.754	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	10.7	-166.8	-72.5	-11.3	0	0	0	115.3	D419 S423	D419-N421 VanDerWaalsContact C-N 3.3Å; D419-N421 PolarHBondContact O-N 3.34Å; N421-S423 VanDerWaalsContact C-N 3.28Å; N421-S423 PolarHBondContact O-N 3.1Å
422	A	43.3	Very low	55.3	Low	82 Å²	82	85 Å²	85	68%	0.678	52%	0.518	S	S	*	.			trans	-82.9	46.6	-172.6	0	0	0	0	0	115.4	S424	A422-S424 PolarHBondContact O-N 3.33Å
423	S	34	Very low	56	Low	119 Å²	119	85.3 Å²	85.3	83%	0.832	52%	0.52	S	S	*	.			trans	-74.6	75.7	-179.9	-64	0	0	0	0	113.8	N421	N421-S423 VanDerWaalsContact C-N 3.28Å; N421-S423 PolarHBondContact O-N 3.1Å
424	S	44	Very low	57.1	Low	81 Å²	81	83 Å²	83	57%	0.566	50%	0.504	S	S	*	.	S	Bend	trans	172.6	118.1	147.5	-179.2	0	0	0	0	113	A422 A426	A422-S424 PolarHBondContact O-N 3.33Å; S424-A426 PolarHBondContact O-N 3.08Å
425	L	53.2	Low	58.4	Low	130 Å²	130	81.5 Å²	81.5	68%	0.681	50%	0.499	S	S	*	.	S	Bend	trans	51.8	6.9	162.1	-61.1	176.9	0	0	0	118.6	W399	W399-L425 VanDerWaalsContact CD1-O 3.32Å
426	A	62.2	Low	60.1	Low	43 Å²	43	78.4 Å²	78.4	36%	0.355	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-74.1	135.6	-178.3	0	0	0	0	0	111.7	I398 S424	I398-A426 CarbonylContact O-C 3.56Å; I398-A426 WeakPolarHBondContact O-CA 3.12Å; S424-A426 PolarHBondContact O-N 3.08Å
427	V	69	Low	61.6	Low	0 Å²	0	69.9 Å²	69.9	0%	0	43%	0.434	C	S	.	.			trans	-103.1	127.3	179.3	-169.9	0	0	0	0	108.5	I398 A400 L406 A409 A429	I398-V427 HydrophobicContact CB-CB 4.36Å; I398-V427 WeakPolarHBondContact CB-O 3.3Å; I398-V427 PolarHBondContact O-N 2.86Å; A400-V427 HydrophobicContact CB-CG2 4.16Å; L406-V427 HydrophobicContact CD1-CG2 3.66Å; A409-V427 HydrophobicContact CB-CG1 3.36Å; V427-A429 WeakPolarHBondContact CG1-O 3.45Å
428	L	74	Confident	63.3	Low	60 Å²	60	69.6 Å²	69.6	31%	0.314	44%	0.435	S	S	.	.	S	Bend	trans	-72.3	-31.5	-179	-62.7	-179.8	0	0	0	113.2	R376 V377	R376-L428 WeakPolarHBondContact CA-O 3.43Å; R376-L428 WeakPolarHBondContact CB-O 3.22Å; V377-L428 PolarHBondContact N-O 3.35Å; V377-L428 VanDerWaalsContact N-O 3.12Å
429	A	77.5	Confident	65.2	Low	4 Å²	4	61.9 Å²	61.9	3%	0.033	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-146.9	144.1	177	0	0	0	0	0	113.3	L375 R376 T410 L412 V427	L375-A429 CarbonylContact O-C 3.58Å; L375-A429 VanDerWaalsContact O-CA 3.32Å; L375-A429 WeakPolarHBondContact O-CA 3.21Å; R376-A429 HydrophobicContact CG-CB 3.73Å; T410-A429 WeakPolarHBondContact O-CB 3.06Å; L412-A429 HydrophobicContact CD1-CB 4.02Å; V427-A429 WeakPolarHBondContact CG1-O 3.45Å
430	T	80.9	Confident	67.4	Low	0 Å²	0	55.5 Å²	55.5	0%	0	36%	0.362	C	S	.	.			trans	-67.3	162	163.1	74.7	0	0	0	0	110.5	G374 L375 I398 Y440 C457	G374-T430 WeakPolarHBondContact CA-O 3.49Å; G374-T430 VanDerWaalsContact CA-OG1 3.3Å; G374-T430 WeakPolarHBondContact CA-OG1 3.34Å; L375-T430 HydrophobicContact CB-CG2 4.18Å; L375-T430 PolarHBondContact N-OG1 3.3Å; L375-T430 PolarHBondContact O-N 3.19Å; I398-T430 HydrophobicContact CD1-CG2 4.26Å; I398-T430 HydrophobicContact CG2-CG2 4.14Å; T430-Y440 HydrophobicContact CG2-CD1 4.39Å; T430-Y440 HydrophobicContact CG2-CD2 4.29Å; T430-Y440 HydrophobicContact CG2-CG 3.99Å; T430-C457 HydrophobicContact CG2-CB 4.12Å
431	P	77.8	Confident	69.8	Low	9 Å²	9	51.6 Å²	51.6	6%	0.058	33%	0.333	C	S	.	.			trans	-57.2	156.3	163.4	-17.5	28.5	0	0	0	110.7	G374 Q408 D433 L436 Y440	G374-P431 WeakPolarHBondContact CA-O 3.29Å; Q408-P431 HydrophobicContact CB-CG 3.97Å; Q408-P431 WeakPolarHBondContact O-CG 3.1Å; P431-D433 PolarHBondContact O-N 3.13Å; P431-L436 HydrophobicContact CB-CB 4.42Å; P431-L436 HydrophobicContact CB-CD1 3.83Å; P431-L436 HydrophobicContact CG-CB 4.1Å; P431-L436 HydrophobicContact CG-CD1 3.82Å; P431-Y440 WeakPolarHBondContact CD-OH 3.48Å; P431-Y440 HydrophobicContact CG-CE2 3.78Å; P431-Y440 WeakPolarHBondContact CG-OH 3.33Å
432	S	76.3	Confident	72.1	Confident	65 Å²	65	44.9 Å²	44.9	46%	0.455	30%	0.297	S	S	.	.	S	Bend	trans	-71.7	-13.2	174.7	-55.3	0	0	0	0	113.9	P434	S432-P434 WeakPolarHBondContact O-CD 3.44Å
433	D	74.3	Confident	74.6	Confident	71 Å²	71	44.1 Å²	44.1	38%	0.38	28%	0.277	S	S	.	.			trans	-78.4	114.7	172.9	176.6	15.2	0	0	0	110.9	P431 S435 L436	P431-D433 PolarHBondContact O-N 3.13Å; D433-S435 PolarHBondContact O-N 3.15Å; D433-S435 VanDerWaalsContact O-N 3.17Å; D433-S435 WeakPolarHBondContact OD1-CB 3.27Å; D433-S435 PolarHBondContact OD1-N 2.94Å; D433-S435 PolarHBondContact OD1-OG 2.73Å; D433-S435 WeakPolarHBondContact OD2-CB 3.04Å; D433-S435 PolarHBondContact OD2-OG 2.81Å; D433-L436 HydrophobicContact CB-CD1 4.18Å; D433-L436 HydrophobicContact CB-CG 4.2Å; D433-L436 PolarHBondContact O-N 3.16Å; D433-L436 VanDerWaalsContact O-N 3.17Å
434	P	73.2	Confident	77.5	Confident	57 Å²	57	38.4 Å²	38.4	37%	0.37	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.9	176.4	27.7	-36	0	0	0	113.7	L370 S432 L436 A437	L370-P434 HydrophobicContact CD1-CB 4.19Å; S432-P434 WeakPolarHBondContact O-CD 3.44Å; P434-L436 VanDerWaalsContact C-N 3.3Å; P434-L436 PolarHBondContact O-N 2.7Å; P434-A437 WeakPolarHBondContact O-CB 3.23Å; P434-A437 PolarHBondContact O-N 3.42Å
435	S	75.4	Confident	80.1	Confident	80 Å²	80	36.4 Å²	36.4	56%	0.559	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.7	175.6	98.3	0	0	0	0	111.9	D433 A437	D433-S435 PolarHBondContact O-N 3.15Å; D433-S435 VanDerWaalsContact O-N 3.17Å; D433-S435 WeakPolarHBondContact OD1-CB 3.27Å; D433-S435 PolarHBondContact OD1-N 2.94Å; D433-S435 PolarHBondContact OD1-OG 2.73Å; D433-S435 WeakPolarHBondContact OD2-CB 3.04Å; D433-S435 PolarHBondContact OD2-OG 2.81Å; S435-A437 VanDerWaalsContact C-N 3.34Å; S435-A437 PolarHBondContact O-N 2.83Å
436	L	79.3	Confident	82.1	Confident	47 Å²	47	30.8 Å²	30.8	25%	0.246	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-76	-21	-179.9	-59.8	178.4	0	0	0	112.6	Q408 P431 D433 P434 A438 G439 Y440	Q408-L436 HydrophobicContact CB-CD1 4.38Å; P431-L436 HydrophobicContact CB-CB 4.42Å; P431-L436 HydrophobicContact CB-CD1 3.83Å; P431-L436 HydrophobicContact CG-CB 4.1Å; P431-L436 HydrophobicContact CG-CD1 3.82Å; D433-L436 HydrophobicContact CB-CD1 4.18Å; D433-L436 HydrophobicContact CB-CG 4.2Å; D433-L436 PolarHBondContact O-N 3.16Å; D433-L436 VanDerWaalsContact O-N 3.17Å; P434-L436 VanDerWaalsContact C-N 3.3Å; P434-L436 PolarHBondContact O-N 2.7Å; L436-A438 PolarHBondContact O-N 3.42Å; L436-G439 PolarHBondContact O-N 3.49Å; L436-Y440 HydrophobicContact CB-CE2 4.28Å; L436-Y440 WeakPolarHBondContact O-CD2 3.38Å; L436-Y440 WeakPolarHBondContact O-CE2 3.39Å
437	A	78.2	Confident	83.8	Confident	3 Å²	3	29.6 Å²	29.6	3%	0.025	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-58.3	-20.2	178.6	0	0	0	0	0	113.8	P434 S435 G439 Y440 S456 C457 A458	P434-A437 WeakPolarHBondContact O-CB 3.23Å; P434-A437 PolarHBondContact O-N 3.42Å; S435-A437 VanDerWaalsContact C-N 3.34Å; S435-A437 PolarHBondContact O-N 2.83Å; A437-G439 VanDerWaalsContact C-N 3.26Å; A437-G439 PolarHBondContact O-N 3.29Å; A437-Y440 PolarHBondContact O-N 3.16Å; A437-S456 PolarHBondContact O-OG 3.41Å; A437-C457 HydrophobicContact CB-CB 4Å; A437-C457 WeakPolarHBondContact O-CB 3.04Å; A437-C457 PolarHBondContact O-N 2.86Å; A437-A458 PolarHBondContact O-N 3.17Å
438	A	80.4	Confident	85	Confident	48 Å²	48	31.3 Å²	31.3	40%	0.397	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-68	-22.8	171.8	0	0	0	0	0	113.6	R401 L436 S456 A458	R401-A438 PolarHBondContact NH1-O 2.97Å; R401-A438 VanDerWaalsContact NH1-O 3.12Å; R401-A438 PolarHBondContact NH2-O 2.95Å; L436-A438 PolarHBondContact O-N 3.42Å; A438-S456 PolarHBondContact O-OG 3.25Å; A438-A458 HydrophobicContact CB-CB 4.27Å
439	G	84.9	Confident	85.9	Confident	8 Å²	8	32.3 Å²	32.3	8%	0.082	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-26.5	175.7	0	0	0	0	0	114	R401 Q405 L436 A437	R401-G439 WeakPolarHBondContact CD-O 3.2Å; R401-G439 WeakPolarHBondContact CG-O 3.49Å; R401-G439 PolarHBondContact NE-O 2.79Å; Q405-G439 PolarHBondContact OE1-O 2.81Å; L436-G439 PolarHBondContact O-N 3.49Å; A437-G439 VanDerWaalsContact C-N 3.26Å; A437-G439 PolarHBondContact O-N 3.29Å
440	Y	90.5	Very high	86.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.7	-178.4	-59.1	-96.1	0	0	0	111.7	I398 W399 A400 Q405 A409 T430 P431 L436 A437 S456 C457	I398-Y440 HydrophobicContact CG2-CD1 4.16Å; I398-Y440 HydrophobicContact CG2-CG 4.48Å; W399-Y440 WeakPolarHBondContact O-CA 3.33Å; A400-Y440 HydrophobicContact CB-CD1 4.09Å; A400-Y440 HydrophobicContact CB-CE1 3.79Å; Q405-Y440 HydrophobicContact CB-CE1 4.46Å; Q405-Y440 PolarHBondContact O-OH 2.92Å; A409-Y440 HydrophobicContact CB-CE1 4.37Å; T430-Y440 HydrophobicContact CG2-CD1 4.39Å; T430-Y440 HydrophobicContact CG2-CD2 4.29Å; T430-Y440 HydrophobicContact CG2-CG 3.99Å; P431-Y440 WeakPolarHBondContact CD-OH 3.48Å; P431-Y440 HydrophobicContact CG-CE2 3.78Å; P431-Y440 WeakPolarHBondContact CG-OH 3.33Å; L436-Y440 HydrophobicContact CB-CE2 4.28Å; L436-Y440 WeakPolarHBondContact O-CD2 3.38Å; L436-Y440 WeakPolarHBondContact O-CE2 3.39Å; A437-Y440 PolarHBondContact O-N 3.16Å; Y440-S456 CarbonylContact O-C 3.6Å; Y440-S456 WeakPolarHBondContact O-CA 3.46Å; Y440-S456 PolarHBondContact O-OG 2.98Å; Y440-S456 VanDerWaalsContact O-OG 3.12Å; Y440-C457 PolarHBondContact O-N 3.09Å
441	T	93.1	Very high	87.1	Confident	35 Å²	35	45.4 Å²	45.4	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.4	172.4	-60	0	0	0	0	108.3	I398 W399 R401 L455	I398-T441 CarbonylContact C-O 3.6Å; I398-T441 WeakPolarHBondContact CA-O 3.42Å; W399-T441 PolarHBondContact N-O 3.46Å; W399-T441 PolarHBondContact O-N 3.28Å; R401-T441 PolarHBondContact NE-OG1 2.81Å; T441-L455 CarbonylContact C-O 3.57Å; T441-L455 WeakPolarHBondContact CA-O 3.32Å
442	A	93.5	Very high	87.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.8	177.7	0	0	0	0	0	111.5	V395 A397 I398 V444 Y454 L455 L460	V395-A442 HydrophobicContact CG1-CB 4.18Å; A397-A442 CarbonylContact O-C 3.44Å; A397-A442 WeakPolarHBondContact O-CA 3.37Å; A397-A442 WeakPolarHBondContact O-CB 3.43Å; I398-A442 HydrophobicContact CG1-CB 4.12Å; A442-V444 HydrophobicContact CB-CG1 4.39Å; A442-Y454 WeakPolarHBondContact O-CA 3.44Å; A442-L455 PolarHBondContact N-O 3.21Å; A442-L455 PolarHBondContact O-N 2.88Å; A442-L460 HydrophobicContact CB-CD1 3.9Å
443	R	95.2	Very high	88.9	Confident	66 Å²	66	45.6 Å²	45.6	25%	0.249	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.1	160.7	177.8	177.5	178.4	-77.4	-9	106.8	N396 A397 W399 D445 C452 Y454	N396-R443 PolarHBondContact N-O 3.42Å; N396-R443 PolarHBondContact ND2-NH1 2.85Å; A397-R443 HydrophobicContact CB-CB 4.32Å; A397-R443 PolarHBondContact O-N 3.03Å; W399-R443 HydrophobicContact CH2-CB 3.94Å; W399-R443 HydrophobicContact CZ3-CB 3.76Å; R443-D445 IonicContact CZ-OD1 2.71Å; R443-D445 IonicContact CZ-OD2 3.5Å; R443-D445 VanDerWaalsContact CZ-OD2 3.22Å; R443-D445 IonicContact NE-OD1 3.56Å; R443-D445 IonicContact NH1-OD1 2.74Å; R443-D445 PolarHBondContact NH1-OD1 3.1Å; R443-D445 IonicContact NH1-OD2 2.63Å; R443-D445 PolarHBondContact NH1-OD2 3.12Å; R443-D445 IonicContact NH2-OD1 3.47Å; R443-D445 PolarHBondContact NH2-OD1 3.3Å; R443-D445 IonicContact NH2-OD2 3.47Å; R443-D445 PolarHBondContact NH2-OD2 3.37Å; R443-C452 HydrophobicContact CG-CB 4.25Å; R443-Y454 HydrophobicContact CB-CD1 4.21Å; R443-Y454 HydrophobicContact CB-CE1 3.91Å; R443-Y454 HydrophobicContact CG-CE1 4.34Å
444	V	95.5	Very high	89.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.5	171.6	-59.2	0	0	0	0	111.2	A383 Q394 V395 A442 C452 S453 L455 L460	A383-V444 HydrophobicContact CB-CG2 4.11Å; Q394-V444 CarbonylContact O-C 3.59Å; Q394-V444 WeakPolarHBondContact O-CA 3.2Å; Q394-V444 WeakPolarHBondContact O-CB 3.36Å; V395-V444 HydrophobicContact CG2-CG1 4.1Å; A442-V444 HydrophobicContact CB-CG1 4.39Å; V444-C452 CarbonylContact O-C 3.55Å; V444-C452 VanDerWaalsContact O-CA 3.27Å; V444-C452 WeakPolarHBondContact O-CA 3.21Å; V444-S453 PolarHBondContact N-O 3.33Å; V444-S453 PolarHBondContact O-N 3.01Å; V444-L455 HydrophobicContact CG2-CD1 3.83Å; V444-L455 HydrophobicContact CG2-CG 4.29Å; V444-L460 HydrophobicContact CG1-CD1 3.73Å; V444-L460 HydrophobicContact CG1-CD2 3.84Å; V444-L460 HydrophobicContact CG1-CG 4.47Å
445	D	96.9	Very high	90.9	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.203	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.6	177	-67.4	2.4	0	0	0	108.3	S393 Q394 N396 R443 L447 C452	S393-D445 CarbonylContact C-O 3.58Å; S393-D445 VanDerWaalsContact CA-O 3.23Å; S393-D445 WeakPolarHBondContact CA-O 3.4Å; S393-D445 WeakPolarHBondContact CB-O 3.38Å; Q394-D445 PolarHBondContact N-O 2.85Å; Q394-D445 PolarHBondContact O-N 3.44Å; N396-D445 PolarHBondContact ND2-OD2 2.98Å; R443-D445 IonicContact CZ-OD1 2.71Å; R443-D445 IonicContact CZ-OD2 3.5Å; R443-D445 VanDerWaalsContact CZ-OD2 3.22Å; R443-D445 IonicContact NE-OD1 3.56Å; R443-D445 IonicContact NH1-OD1 2.74Å; R443-D445 PolarHBondContact NH1-OD1 3.1Å; R443-D445 IonicContact NH1-OD2 2.63Å; R443-D445 PolarHBondContact NH1-OD2 3.12Å; R443-D445 IonicContact NH2-OD1 3.47Å; R443-D445 PolarHBondContact NH2-OD1 3.3Å; R443-D445 IonicContact NH2-OD2 3.47Å; R443-D445 PolarHBondContact NH2-OD2 3.37Å; D445-L447 PolarHBondContact O-N 3.12Å; D445-C452 WeakPolarHBondContact OD1-CB 3.29Å
446	W	97.1	Very high	91.7	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.045	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.6	-170.6	-59.3	102.8	0	0	0	109.5	A383 L385 W391 A448 W449 Q451 S453 L455	A383-W446 HydrophobicContact CB-CE3 4.19Å; A383-W446 HydrophobicContact CB-CH2 3.68Å; A383-W446 HydrophobicContact CB-CZ3 3.4Å; A383-W446 VanDerWaalsContact CB-CZ3 3.4Å; L385-W446 HydrophobicContact CB-CH2 3.73Å; L385-W446 HydrophobicContact CB-CZ2 3.99Å; L385-W446 HydrophobicContact CD2-CZ2 4.14Å; W391-W446 HydrophobicContact CB-CE3 3.7Å; W391-W446 HydrophobicContact CB-CZ3 3.76Å; W391-W446 AromaticContact CD1-CE3 3.82Å; W391-W446 AromaticContact CG-CE3 3.97Å; W391-W446 HydrophobicContact CG-CE3 3.97Å; W391-W446 HydrophobicContact CG-CZ3 4.49Å; W446-A448 PolarHBondContact O-N 3.22Å; W446-W449 HydrophobicContact CB-CB 4.02Å; W446-W449 HydrophobicContact CB-CE3 4.23Å; W446-W449 HydrophobicContact CG-CE3 4.28Å; W446-W449 CarbonylContact O-C 3.57Å; W446-W449 PolarHBondContact O-N 2.79Å; W446-W449 VanDerWaalsContact O-N 3.13Å; W446-Q451 VanDerWaalsContact CD1-O 3.23Å; W446-Q451 PolarHBondContact N-O 3.23Å; W446-Q451 VanDerWaalsContact N-O 3.15Å; W446-S453 PolarHBondContact NE1-OG 3.03Å; W446-L455 HydrophobicContact CH2-CD1 3.83Å; W446-L455 HydrophobicContact CZ2-CD1 4.03Å
447	L	96.5	Very high	92.3	Very high	19 Å²	19	42 Å²	42	10%	0.099	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	138.5	-176.7	-64.5	170.7	0	0	0	110.4	I380 W391 P392 D445 W449 A483 L486 A487 I490	I380-L447 HydrophobicContact CG2-CD1 4.22Å; W391-L447 PolarHBondContact NE1-O 3.23Å; P392-L447 HydrophobicContact CB-CD1 4.12Å; P392-L447 WeakPolarHBondContact O-CB 3.47Å; P392-L447 PolarHBondContact O-N 2.77Å; D445-L447 PolarHBondContact O-N 3.12Å; L447-W449 PolarHBondContact O-N 3.36Å; L447-A483 HydrophobicContact CB-CB 4.22Å; L447-A483 WeakPolarHBondContact O-CB 3.42Å; L447-L486 HydrophobicContact CB-CB 4.47Å; L447-A487 HydrophobicContact CD1-CB 3.67Å; L447-I490 HydrophobicContact CD1-CD1 4.06Å; L447-I490 HydrophobicContact CD2-CD1 3.79Å
448	A	95.1	Very high	92.9	Very high	35 Å²	35	44 Å²	44	29%	0.289	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	29.4	-172.3	0	0	0	0	0	115.1	W446 E482 A483 L486	W446-A448 PolarHBondContact O-N 3.22Å; A448-E482 HydrophobicContact CB-CB 3.91Å; A448-E482 HydrophobicContact CB-CG 3.73Å; A448-A483 HydrophobicContact CB-CB 4.13Å; A448-L486 HydrophobicContact CB-CD1 3.93Å
449	W	91.4	Very high	93.5	Very high	82 Å²	82	46.7 Å²	46.7	31%	0.311	24%	0.241	S	C	.	.	S	Bend	trans	-153.2	120.2	173.6	-174.5	6.2	0	0	0	110	Y388 W446 L447 Q451	Y388-W449 HydrophobicContact CD1-CH2 4.16Å; Y388-W449 HydrophobicContact CD1-CZ3 4.29Å; Y388-W449 AromaticContact CE1-CH2 3.72Å; Y388-W449 HydrophobicContact CE1-CH2 3.72Å; Y388-W449 HydrophobicContact CE1-CZ3 4.29Å; Y388-W449 AromaticContact CZ-CH2 3.95Å; W446-W449 HydrophobicContact CB-CB 4.02Å; W446-W449 HydrophobicContact CB-CE3 4.23Å; W446-W449 HydrophobicContact CG-CE3 4.28Å; W446-W449 CarbonylContact O-C 3.57Å; W446-W449 PolarHBondContact O-N 2.79Å; W446-W449 VanDerWaalsContact O-N 3.13Å; L447-W449 PolarHBondContact O-N 3.36Å; W449-Q451 HydrophobicContact CG-CG 4.44Å; W449-Q451 PolarHBondContact O-N 2.89Å
450	D	90.5	Very high	93.9	Very high	156 Å²	156	46.3 Å²	46.3	83%	0.834	24%	0.237	S	C	*	.	S	Bend	trans	-77.3	53.2	-165.9	-33.1	-68.5	0	0	0	112.7
451	Q	93.5	Very high	94	Very high	122 Å²	122	46.9 Å²	46.9	57%	0.57	24%	0.239	S	C	*	.			trans	-143.7	147.5	-173.5	-65.3	-70.3	-89.8	0	0	109.9	W446 W449	W446-Q451 VanDerWaalsContact CD1-O 3.23Å; W446-Q451 PolarHBondContact N-O 3.23Å; W446-Q451 VanDerWaalsContact N-O 3.15Å; W449-Q451 HydrophobicContact CG-CG 4.44Å; W449-Q451 PolarHBondContact O-N 2.89Å
452	C	95.4	Very high	94	Very high	50 Å²	50	46.2 Å²	46.2	34%	0.338	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	167.3	166.4	65.5	0	0	0	0	111.3	R443 V444 D445	R443-C452 HydrophobicContact CG-CB 4.25Å; V444-C452 CarbonylContact O-C 3.55Å; V444-C452 VanDerWaalsContact O-CA 3.27Å; V444-C452 WeakPolarHBondContact O-CA 3.21Å; D445-C452 WeakPolarHBondContact OD1-CB 3.29Å
453	S	96.4	Very high	94.1	Very high	28 Å²	28	46.6 Å²	46.6	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	142.9	170.8	-74.3	0	0	0	0	112.7	V444 W446	V444-S453 PolarHBondContact N-O 3.33Å; V444-S453 PolarHBondContact O-N 3.01Å; W446-S453 PolarHBondContact NE1-OG 3.03Å
454	Y	96	Very high	94	Very high	146 Å²	146	49.8 Å²	49.8	57%	0.573	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	110.8	174.9	-63.1	-92	0	0	0	109.3	W399 A442 R443	W399-Y454 HydrophobicContact CH2-CD1 4.48Å; W399-Y454 AromaticContact CH2-CE1 3.77Å; W399-Y454 HydrophobicContact CH2-CE1 3.77Å; W399-Y454 AromaticContact CZ3-CD1 3.85Å; W399-Y454 HydrophobicContact CZ3-CD1 3.85Å; W399-Y454 AromaticContact CZ3-CE1 3.6Å; W399-Y454 HydrophobicContact CZ3-CE1 3.6Å; A442-Y454 WeakPolarHBondContact O-CA 3.44Å; R443-Y454 HydrophobicContact CB-CD1 4.21Å; R443-Y454 HydrophobicContact CB-CE1 3.91Å; R443-Y454 HydrophobicContact CG-CE1 4.34Å
455	L	94.1	Very high	93.8	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.047	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.2	-176.5	-63.4	-179.6	0	0	0	110.5	A383 L385 T441 A442 V444 W446 K459 L460	A383-L455 HydrophobicContact CB-CD1 3.85Å; L385-L455 HydrophobicContact CD1-CD2 4.38Å; T441-L455 CarbonylContact C-O 3.57Å; T441-L455 WeakPolarHBondContact CA-O 3.32Å; A442-L455 PolarHBondContact N-O 3.21Å; A442-L455 PolarHBondContact O-N 2.88Å; V444-L455 HydrophobicContact CG2-CD1 3.83Å; V444-L455 HydrophobicContact CG2-CG 4.29Å; W446-L455 HydrophobicContact CH2-CD1 3.83Å; W446-L455 HydrophobicContact CZ2-CD1 4.03Å; L455-K459 HydrophobicContact CD2-CD 4.44Å; L455-L460 HydrophobicContact CB-CD2 4.31Å; L455-L460 HydrophobicContact CD1-CD2 3.98Å
456	S	92.4	Very high	93.6	Very high	24 Å²	24	53.6 Å²	53.6	17%	0.168	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	140.2	167.2	178.6	0	0	0	0	110	R401 A437 A438 Y440 A458 K459	R401-S456 PolarHBondContact NH2-OG 3.32Å; A437-S456 PolarHBondContact O-OG 3.41Å; A438-S456 PolarHBondContact O-OG 3.25Å; Y440-S456 CarbonylContact O-C 3.6Å; Y440-S456 WeakPolarHBondContact O-CA 3.46Å; Y440-S456 PolarHBondContact O-OG 2.98Å; Y440-S456 VanDerWaalsContact O-OG 3.12Å; S456-A458 PolarHBondContact O-N 3.5Å; S456-A458 VanDerWaalsContact O-N 3.1Å; S456-K459 WeakPolarHBondContact O-CB 3.39Å; S456-K459 PolarHBondContact O-N 3.36Å
457	C	92.1	Very high	93.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.8	-177.6	-70.4	0	0	0	0	112.7	L375 T430 A437 Y440 K459 L460	L375-C457 HydrophobicContact CD1-CB 4.06Å; T430-C457 HydrophobicContact CG2-CB 4.12Å; A437-C457 HydrophobicContact CB-CB 4Å; A437-C457 WeakPolarHBondContact O-CB 3.04Å; A437-C457 PolarHBondContact O-N 2.86Å; Y440-C457 PolarHBondContact O-N 3.09Å; C457-K459 PolarHBondContact O-N 2.84Å; C457-L460 WeakPolarHBondContact O-CB 3.36Å; C457-L460 PolarHBondContact O-N 3.47Å
458	A	90	Very high	93.3	Very high	44 Å²	44	60.8 Å²	60.8	36%	0.364	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-63.3	-3.2	169.4	0	0	0	0	0	115.5	A437 A438 S456	A437-A458 PolarHBondContact O-N 3.17Å; A438-A458 HydrophobicContact CB-CB 4.27Å; S456-A458 PolarHBondContact O-N 3.5Å; S456-A458 VanDerWaalsContact O-N 3.1Å
459	K	92.8	Very high	93.3	Very high	106 Å²	106	66.2 Å²	66.2	46%	0.461	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-106.9	5.5	172	-62.8	-178.4	180	174.9	0	113.3	K384 L455 S456 C457 Y461	K384-K459 PolarHBondContact N-O 3.17Å; L455-K459 HydrophobicContact CD2-CD 4.44Å; S456-K459 WeakPolarHBondContact O-CB 3.39Å; S456-K459 PolarHBondContact O-N 3.36Å; C457-K459 PolarHBondContact O-N 2.84Å; K459-Y461 WeakPolarHBondContact O-CE2 3.49Å
460	L	94.1	Very high	93.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.1	-178.8	-53.2	-176.2	0	0	0	109.3	F368 L375 V381 W382 A383 V395 A442 V444 L455 C457	F368-L460 WeakPolarHBondContact CZ-O 3.38Å; L375-L460 HydrophobicContact CD1-CB 3.64Å; L375-L460 HydrophobicContact CD1-CD1 4.1Å; L375-L460 HydrophobicContact CD1-CG 4.43Å; V381-L460 HydrophobicContact CB-CB 4.3Å; V381-L460 HydrophobicContact CG1-CB 4.41Å; V381-L460 HydrophobicContact CG2-CB 4.26Å; V381-L460 HydrophobicContact CG2-CD1 4.44Å; V381-L460 HydrophobicContact CG2-CD2 4.16Å; W382-L460 CarbonylContact O-C 3.53Å; W382-L460 WeakPolarHBondContact O-CA 3.43Å; A383-L460 HydrophobicContact CB-CD2 3.51Å; V395-L460 HydrophobicContact CG2-CD1 4.18Å; A442-L460 HydrophobicContact CB-CD1 3.9Å; V444-L460 HydrophobicContact CG1-CD1 3.73Å; V444-L460 HydrophobicContact CG1-CD2 3.84Å; V444-L460 HydrophobicContact CG1-CG 4.47Å; L455-L460 HydrophobicContact CB-CD2 4.31Å; L455-L460 HydrophobicContact CD1-CD2 3.98Å; C457-L460 WeakPolarHBondContact O-CB 3.36Å; C457-L460 PolarHBondContact O-N 3.47Å
461	Y	93.4	Very high	93.8	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.1	-173.4	-56.9	-110	0	0	0	108.9	P366 F368 V381 W382 K384 Y390 K459 F463 L470	P366-Y461 HydrophobicContact CG-CD1 4.12Å; P366-Y461 HydrophobicContact CG-CE1 3.81Å; P366-Y461 WeakPolarHBondContact O-CE1 3.48Å; F368-Y461 AromaticContact CD1-CD1 3.27Å; F368-Y461 HydrophobicContact CD1-CD1 3.27Å; F368-Y461 AromaticContact CD1-CE1 3.59Å; F368-Y461 HydrophobicContact CD1-CE1 3.59Å; F368-Y461 HydrophobicContact CD1-CG 4.2Å; F368-Y461 AromaticContact CE1-CD1 3.32Å; F368-Y461 HydrophobicContact CE1-CD1 3.32Å; F368-Y461 AromaticContact CE1-CE1 3.48Å; F368-Y461 HydrophobicContact CE1-CE1 3.48Å; F368-Y461 VanDerWaalsContact CE1-CE1 3.48Å; F368-Y461 AromaticContact CE1-CG 3.93Å; F368-Y461 HydrophobicContact CE1-CG 3.93Å; F368-Y461 HydrophobicContact CG-CD1 4.18Å; F368-Y461 HydrophobicContact CZ-CD1 4.22Å; F368-Y461 HydrophobicContact CZ-CG 4.45Å; V381-Y461 CarbonylContact C-O 3.57Å; V381-Y461 WeakPolarHBondContact CA-O 3.4Å; W382-Y461 PolarHBondContact N-O 3.45Å; W382-Y461 PolarHBondContact O-N 2.59Å; K384-Y461 HydrophobicContact CB-CE2 4.31Å; Y390-Y461 HydrophobicContact CD1-CD2 4.38Å; Y390-Y461 HydrophobicContact CD1-CE2 4.36Å; Y390-Y461 HydrophobicContact CE1-CD2 4.12Å; Y390-Y461 AromaticContact CE1-CE2 3.72Å; Y390-Y461 HydrophobicContact CE1-CE2 3.72Å; K459-Y461 WeakPolarHBondContact O-CE2 3.49Å; Y461-F463 PolarHBondContact O-N 3.47Å; Y461-L470 HydrophobicContact CD1-CD1 4.26Å; Y461-L470 HydrophobicContact CD2-CD1 4.32Å; Y461-L470 HydrophobicContact CG-CD1 3.86Å
462	P	92.6	Very high	93.9	Very high	20 Å²	20	57.2 Å²	57.2	13%	0.13	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	130.9	-178.9	-30.2	36.7	0	0	0	113.1	F368 L370 L375 E465 S466	F368-P462 VanDerWaalsContact CD2-CD 3.46Å; F368-P462 HydrophobicContact CD2-CG 4.19Å; F368-P462 VanDerWaalsContact CE2-CD 3.46Å; F368-P462 HydrophobicContact CE2-CG 4.29Å; L370-P462 HydrophobicContact CD2-CG 3.75Å; L375-P462 HydrophobicContact CD2-CG 4.26Å; P462-E465 HydrophobicContact CB-CB 4.25Å; P462-E465 HydrophobicContact CB-CG 4.22Å; P462-E465 WeakPolarHBondContact CB-OE2 3.39Å; P462-S466 WeakPolarHBondContact O-CB 3.03Å; P462-S466 PolarHBondContact O-N 3.07Å; P462-S466 VanDerWaalsContact O-N 3.09Å; P462-S466 PolarHBondContact O-OG 3.39Å
463	F	95	Very high	93.8	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.035	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-42.7	-163	176.8	-95.5	0	0	0	114.4	I380 W382 P392 Y461 F467 A487 K488 V491	I380-F463 HydrophobicContact CB-CB 4.43Å; I380-F463 HydrophobicContact CG2-CB 4Å; I380-F463 HydrophobicContact CG2-CD1 4.45Å; I380-F463 HydrophobicContact CG2-CD2 4.3Å; I380-F463 HydrophobicContact CG2-CG 4Å; I380-F463 WeakPolarHBondContact O-CB 3.47Å; I380-F463 PolarHBondContact O-N 2.76Å; W382-F463 AromaticContact CD1-CD2 3.87Å; W382-F463 HydrophobicContact CD2-CD2 4.1Å; W382-F463 HydrophobicContact CD2-CE2 4.34Å; W382-F463 AromaticContact CE2-CD2 3.56Å; W382-F463 AromaticContact CE2-CE2 3.63Å; W382-F463 HydrophobicContact CG-CD2 4.29Å; W382-F463 HydrophobicContact CH2-CE2 4.14Å; W382-F463 AromaticContact CZ2-CD2 3.98Å; W382-F463 HydrophobicContact CZ2-CD2 3.98Å; W382-F463 AromaticContact CZ2-CE2 3.52Å; W382-F463 HydrophobicContact CZ2-CE2 3.52Å; W382-F463 HydrophobicContact CZ2-CZ 4.33Å; W382-F463 AromaticContact NE1-CD2 3.37Å; W382-F463 AromaticContact NE1-CE2 3.86Å; W382-F463 PolarHBondContact NE1-O 2.93Å; W382-F463 VanDerWaalsContact NE1-O 3.16Å; P392-F463 HydrophobicContact CB-CD2 4.26Å; P392-F463 HydrophobicContact CB-CE2 3.91Å; P392-F463 HydrophobicContact CG-CE2 3.99Å; Y461-F463 PolarHBondContact O-N 3.47Å; F463-F467 HydrophobicContact CE1-CD2 4.06Å; F463-F467 HydrophobicContact CE1-CE2 4.47Å; F463-F467 HydrophobicContact CE2-CD2 4.16Å; F463-F467 HydrophobicContact CE2-CE2 4.36Å; F463-F467 AromaticContact CZ-CD2 3.73Å; F463-F467 HydrophobicContact CZ-CD2 3.73Å; F463-F467 AromaticContact CZ-CE2 3.83Å; F463-F467 HydrophobicContact CZ-CE2 3.83Å; F463-F467 WeakPolarHBondContact O-CB 3.18Å; F463-F467 PolarHBondContact O-N 2.64Å; F463-A487 HydrophobicContact CD2-CB 4.18Å; F463-A487 HydrophobicContact CE1-CB 3.96Å; F463-A487 HydrophobicContact CE2-CB 3.56Å; F463-A487 HydrophobicContact CZ-CB 3.42Å; F463-A487 VanDerWaalsContact CZ-CB 3.42Å; F463-K488 HydrophobicContact CE1-CG 4.14Å; F463-K488 HydrophobicContact CZ-CG 4.17Å; F463-V491 HydrophobicContact CD1-CB 4.37Å; F463-V491 HydrophobicContact CD1-CG1 4.19Å; F463-V491 HydrophobicContact CD1-CG2 3.8Å; F463-V491 HydrophobicContact CE1-CG2 4.29Å
464	K	93	Very high	93.7	Very high	134 Å²	134	68.3 Å²	68.3	58%	0.583	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-48.7	-178.8	-64	179.3	-178.5	-179.4	0	110.1	S466 F467 V491	K464-S466 VanDerWaalsContact C-N 3.31Å; K464-S466 PolarHBondContact O-N 2.65Å; K464-F467 WeakPolarHBondContact O-CB 3.33Å; K464-F467 PolarHBondContact O-N 3.21Å; K464-V491 HydrophobicContact CD-CG1 3.98Å; K464-V491 HydrophobicContact CG-CG1 3.53Å
465	E	91.4	Very high	93.6	Very high	111 Å²	111	62.7 Å²	62.7	52%	0.519	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31	-171.7	-59.2	65.2	-146.1	0	0	111.8	P462	P462-E465 HydrophobicContact CB-CB 4.25Å; P462-E465 HydrophobicContact CB-CG 4.22Å; P462-E465 WeakPolarHBondContact CB-OE2 3.39Å
466	S	92.1	Very high	93.5	Very high	6 Å²	6	73.9 Å²	73.9	4%	0.042	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-0.6	-178.9	-46.4	0	0	0	0	113.4	P462 K464 D468 K469 L470	P462-S466 WeakPolarHBondContact O-CB 3.03Å; P462-S466 PolarHBondContact O-N 3.07Å; P462-S466 VanDerWaalsContact O-N 3.09Å; P462-S466 PolarHBondContact O-OG 3.39Å; K464-S466 VanDerWaalsContact C-N 3.31Å; K464-S466 PolarHBondContact O-N 2.65Å; S466-D468 PolarHBondContact O-N 2.88Å; S466-K469 PolarHBondContact O-N 3.24Å; S466-K469 VanDerWaalsContact O-N 3.09Å; S466-L470 PolarHBondContact O-N 3.11Å
467	F	94.9	Very high	93.5	Very high	29 Å²	29	76 Å²	76	13%	0.127	36%	0.357	C	S	.	.	H	α-helix	trans	-53.5	-54.3	-170.8	-170	-90.1	0	0	0	112.5	W382 F463 K464 K469 L470 Y471 V484	W382-F467 HydrophobicContact CH2-CE2 4.43Å; W382-F467 AromaticContact CZ2-CD2 3.7Å; W382-F467 HydrophobicContact CZ2-CD2 3.7Å; W382-F467 AromaticContact CZ2-CE2 3.86Å; W382-F467 HydrophobicContact CZ2-CE2 3.86Å; F463-F467 HydrophobicContact CE1-CD2 4.06Å; F463-F467 HydrophobicContact CE1-CE2 4.47Å; F463-F467 HydrophobicContact CE2-CD2 4.16Å; F463-F467 HydrophobicContact CE2-CE2 4.36Å; F463-F467 AromaticContact CZ-CD2 3.73Å; F463-F467 HydrophobicContact CZ-CD2 3.73Å; F463-F467 AromaticContact CZ-CE2 3.83Å; F463-F467 HydrophobicContact CZ-CE2 3.83Å; F463-F467 WeakPolarHBondContact O-CB 3.18Å; F463-F467 PolarHBondContact O-N 2.64Å; K464-F467 WeakPolarHBondContact O-CB 3.33Å; K464-F467 PolarHBondContact O-N 3.21Å; F467-K469 PolarHBondContact O-N 3.26Å; F467-K469 VanDerWaalsContact O-N 3.15Å; F467-L470 PolarHBondContact O-N 3.37Å; F467-Y471 AromaticContact CE1-CD1 3.6Å; F467-Y471 HydrophobicContact CE1-CD1 3.6Å; F467-Y471 HydrophobicContact CE1-CE1 4.37Å; F467-Y471 AromaticContact CE1-CG 3.81Å; F467-Y471 HydrophobicContact CE1-CG 3.81Å; F467-Y471 HydrophobicContact CE2-CD2 4.46Å; F467-Y471 HydrophobicContact CE2-CG 4.13Å; F467-Y471 AromaticContact CZ-CD1 3.56Å; F467-Y471 HydrophobicContact CZ-CD1 3.56Å; F467-Y471 AromaticContact CZ-CD2 3.99Å; F467-Y471 HydrophobicContact CZ-CD2 3.99Å; F467-Y471 HydrophobicContact CZ-CE1 4.18Å; F467-Y471 AromaticContact CZ-CG 3.43Å; F467-Y471 HydrophobicContact CZ-CG 3.43Å; F467-Y471 VanDerWaalsContact CZ-CG 3.43Å; F467-Y471 WeakPolarHBondContact O-CB 3.32Å; F467-Y471 PolarHBondContact O-N 2.79Å; F467-V484 HydrophobicContact CE2-CG1 3.96Å; F467-V484 HydrophobicContact CZ-CG1 4.15Å
468	D	94.1	Very high	93.6	Very high	154 Å²	154	85.7 Å²	85.7	82%	0.824	40%	0.399	S	S	*	.	H	α-helix	trans	-66.9	-17.1	-176.4	-61.7	-34.1	0	0	0	114	S466	S466-D468 PolarHBondContact O-N 2.88Å
469	K	94	Very high	93.8	Very high	148 Å²	148	84.3 Å²	84.3	64%	0.643	39%	0.39	S	S	*	.	H	α-helix	trans	-95	-33	179.6	-62.6	175.9	-176	170	0	112.7	S466 F467	S466-K469 PolarHBondContact O-N 3.24Å; S466-K469 VanDerWaalsContact O-N 3.09Å; F467-K469 PolarHBondContact O-N 3.26Å; F467-K469 VanDerWaalsContact O-N 3.15Å
470	L	95.5	Very high	94.1	Very high	11 Å²	11	79.5 Å²	79.5	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-109.1	-22.6	-169.8	-63	-174.5	0	0	0	114	P366 W382 Y390 Y461 S466 F467 N472	P366-L470 HydrophobicContact CG-CD2 3.81Å; W382-L470 HydrophobicContact CB-CD1 3.51Å; W382-L470 HydrophobicContact CD2-CB 3.81Å; W382-L470 HydrophobicContact CD2-CD1 4.38Å; W382-L470 HydrophobicContact CE3-CB 4.26Å; W382-L470 HydrophobicContact CG-CB 3.93Å; W382-L470 HydrophobicContact CG-CD1 3.62Å; W382-L470 HydrophobicContact CG-CG 4.42Å; Y390-L470 HydrophobicContact CD1-CD1 3.93Å; Y390-L470 HydrophobicContact CD1-CD2 3.82Å; Y390-L470 HydrophobicContact CD1-CG 4.42Å; Y390-L470 HydrophobicContact CD2-CD2 3.69Å; Y390-L470 HydrophobicContact CE1-CD1 4.32Å; Y390-L470 HydrophobicContact CE1-CD2 3.84Å; Y390-L470 HydrophobicContact CE2-CD2 3.71Å; Y390-L470 HydrophobicContact CG-CB 4.44Å; Y390-L470 HydrophobicContact CG-CD1 4.32Å; Y390-L470 HydrophobicContact CG-CD2 3.73Å; Y390-L470 HydrophobicContact CG-CG 4.39Å; Y461-L470 HydrophobicContact CD1-CD1 4.26Å; Y461-L470 HydrophobicContact CD2-CD1 4.32Å; Y461-L470 HydrophobicContact CG-CD1 3.86Å; S466-L470 PolarHBondContact O-N 3.11Å; F467-L470 PolarHBondContact O-N 3.37Å; L470-N472 PolarHBondContact O-N 3.45Å
471	Y	96.9	Very high	94.2	Very high	86 Å²	86	83.1 Å²	83.1	34%	0.337	40%	0.399	S	S	.	.			trans	-70.3	120.1	173.9	176.2	-122.9	0	0	0	111.3	W382 F467 P473 Y480 V484	W382-Y471 HydrophobicContact CH2-CD2 4.16Å; W382-Y471 HydrophobicContact CH2-CG 4.5Å; F467-Y471 AromaticContact CE1-CD1 3.6Å; F467-Y471 HydrophobicContact CE1-CD1 3.6Å; F467-Y471 HydrophobicContact CE1-CE1 4.37Å; F467-Y471 AromaticContact CE1-CG 3.81Å; F467-Y471 HydrophobicContact CE1-CG 3.81Å; F467-Y471 HydrophobicContact CE2-CD2 4.46Å; F467-Y471 HydrophobicContact CE2-CG 4.13Å; F467-Y471 AromaticContact CZ-CD1 3.56Å; F467-Y471 HydrophobicContact CZ-CD1 3.56Å; F467-Y471 AromaticContact CZ-CD2 3.99Å; F467-Y471 HydrophobicContact CZ-CD2 3.99Å; F467-Y471 HydrophobicContact CZ-CE1 4.18Å; F467-Y471 AromaticContact CZ-CG 3.43Å; F467-Y471 HydrophobicContact CZ-CG 3.43Å; F467-Y471 VanDerWaalsContact CZ-CG 3.43Å; F467-Y471 WeakPolarHBondContact O-CB 3.32Å; F467-Y471 PolarHBondContact O-N 2.79Å; Y471-P473 HydrophobicContact CE1-CB 3.92Å; Y471-P473 HydrophobicContact CE1-CG 4.16Å; Y471-Y480 HydrophobicContact CD2-CE1 4.15Å; Y471-Y480 HydrophobicContact CE2-CE1 4.05Å; Y471-V484 HydrophobicContact CD2-CG1 4.01Å; Y471-V484 HydrophobicContact CD2-CG2 3.96Å; Y471-V484 HydrophobicContact CE2-CB 4.38Å; Y471-V484 HydrophobicContact CE2-CG1 3.85Å; Y471-V484 HydrophobicContact CE2-CG2 4.08Å
472	N	94.9	Very high	94.3	Very high	74 Å²	74	87 Å²	87	40%	0.396	42%	0.417	S	S	.	.			trans	-118.4	97.8	176.8	-179.6	0.3	0	0	0	110.7	L470 R474 T475 Y480	L470-N472 PolarHBondContact O-N 3.45Å; N472-R474 PolarHBondContact O-N 3.16Å; N472-R474 WeakPolarHBondContact OD1-CB 3.43Å; N472-R474 PolarHBondContact OD1-N 2.81Å; N472-T475 WeakPolarHBondContact CB-OG1 3.1Å; N472-T475 WeakPolarHBondContact O-CB 3.33Å; N472-T475 PolarHBondContact O-N 3.29Å; N472-T475 PolarHBondContact O-OG1 2.94Å; N472-Y480 PolarHBondContact N-OH 2.88Å; N472-Y480 VanDerWaalsContact O-CE1 3.26Å; N472-Y480 WeakPolarHBondContact O-CE1 3.41Å
473	P	94	Very high	94.6	Very high	93 Å²	93	86 Å²	86	60%	0.604	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.3	179.8	27.3	-35.3	0	0	0	114.2	Y471	Y471-P473 HydrophobicContact CE1-CB 3.92Å; Y471-P473 HydrophobicContact CE1-CG 4.16Å
474	R	94.7	Very high	94.7	Very high	219 Å²	219	86 Å²	86	83%	0.826	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-6.5	174.3	-55	-179.2	178.4	179.4	0.5	113	N472 R476	N472-R474 PolarHBondContact O-N 3.16Å; N472-R474 WeakPolarHBondContact OD1-CB 3.43Å; N472-R474 PolarHBondContact OD1-N 2.81Å; R474-R476 PolarHBondContact O-N 3.42Å
475	T	93.5	Very high	94.8	Very high	28 Å²	28	84.9 Å²	84.9	17%	0.172	40%	0.404	C	S	.	.			trans	-65.7	120.7	177.3	-56.5	0	0	0	0	110.5	P389 N472 V477 Y480	P389-T475 HydrophobicContact CB-CG2 4.31Å; P389-T475 HydrophobicContact CG-CG2 3.96Å; N472-T475 WeakPolarHBondContact CB-OG1 3.1Å; N472-T475 WeakPolarHBondContact O-CB 3.33Å; N472-T475 PolarHBondContact O-N 3.29Å; N472-T475 PolarHBondContact O-OG1 2.94Å; T475-V477 HydrophobicContact CG2-CB 4.18Å; T475-V477 HydrophobicContact CG2-CG2 3.93Å; T475-Y480 VanDerWaalsContact CB-CD1 3.48Å; T475-Y480 HydrophobicContact CG2-CD1 3.7Å; T475-Y480 HydrophobicContact CG2-CD2 3.93Å; T475-Y480 HydrophobicContact CG2-CE1 4.18Å; T475-Y480 HydrophobicContact CG2-CE2 4.38Å; T475-Y480 HydrophobicContact CG2-CG 3.54Å
476	R	92.8	Very high	95.1	Very high	244 Å²	244	80.8 Å²	80.8	92%	0.921	39%	0.385	S	S	*	.			trans	-105.7	16.6	-178.1	-62.2	-174.5	179.5	-178.5	-1.4	114.3	R474	R474-R476 PolarHBondContact O-N 3.42Å
477	V	92.6	Very high	95.3	Very high	67 Å²	67	80.5 Å²	80.5	41%	0.406	38%	0.383	S	S	.	.	S	Bend	trans	-70.4	133.3	176.2	-175.3	0	0	0	0	108.8	P389 W391 T475 G479 Y480	P389-V477 HydrophobicContact CG-CG2 4.49Å; W391-V477 HydrophobicContact CH2-CB 4.44Å; W391-V477 HydrophobicContact CH2-CG1 4Å; W391-V477 HydrophobicContact CZ3-CB 4.02Å; W391-V477 HydrophobicContact CZ3-CG1 3.77Å; T475-V477 HydrophobicContact CG2-CB 4.18Å; T475-V477 HydrophobicContact CG2-CG2 3.93Å; V477-G479 PolarHBondContact O-N 2.95Å; V477-Y480 WeakPolarHBondContact O-CB 3.32Å; V477-Y480 PolarHBondContact O-N 3.16Å; V477-Y480 VanDerWaalsContact O-N 3.16Å
478	K	93.6	Very high	95.4	Very high	205 Å²	205	83.3 Å²	83.3	89%	0.891	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	135.1	175.9	-172.9	-161.7	174	-159.1	0	109	W391 Y480	W391-K478 WeakPolarHBondContact CH2-O 3.08Å; K478-Y480 PolarHBondContact O-N 3.44Å
479	G	95	Very high	95.4	Very high	16 Å²	16	78.8 Å²	78.8	17%	0.165	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-23.4	-179	0	0	0	0	0	115	V477 A481 E482 A483	V477-G479 PolarHBondContact O-N 2.95Å; G479-A481 PolarHBondContact O-N 3.35Å; G479-E482 CarbonylContact O-C 3.52Å; G479-E482 WeakPolarHBondContact O-CA 3.49Å; G479-E482 WeakPolarHBondContact O-CB 3.39Å; G479-E482 PolarHBondContact O-N 2.87Å; G479-A483 PolarHBondContact O-N 3.32Å
480	Y	97.4	Very high	95.4	Very high	4 Å²	4	73.7 Å²	73.7	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-59.7	-45.9	-170.7	179.9	-101.9	0	0	0	114.5	W382 Y390 W391 Y471 N472 T475 V477 K478 E482 A483 V484	W382-Y480 HydrophobicContact CZ3-CE2 4.19Å; Y390-Y480 WeakPolarHBondContact O-CE2 3.42Å; W391-Y480 HydrophobicContact CD2-CD2 4.24Å; W391-Y480 AromaticContact CE3-CD2 3.7Å; W391-Y480 HydrophobicContact CE3-CD2 3.7Å; W391-Y480 VanDerWaalsContact CH2-CA 3.5Å; W391-Y480 HydrophobicContact CH2-CD2 4.47Å; W391-Y480 VanDerWaalsContact CH2-N 3.33Å; W391-Y480 AromaticContact CZ3-CD2 3.84Å; W391-Y480 HydrophobicContact CZ3-CD2 3.84Å; W391-Y480 HydrophobicContact CZ3-CG 4.29Å; Y471-Y480 HydrophobicContact CD2-CE1 4.15Å; Y471-Y480 HydrophobicContact CE2-CE1 4.05Å; N472-Y480 PolarHBondContact N-OH 2.88Å; N472-Y480 VanDerWaalsContact O-CE1 3.26Å; N472-Y480 WeakPolarHBondContact O-CE1 3.41Å; T475-Y480 VanDerWaalsContact CB-CD1 3.48Å; T475-Y480 HydrophobicContact CG2-CD1 3.7Å; T475-Y480 HydrophobicContact CG2-CD2 3.93Å; T475-Y480 HydrophobicContact CG2-CE1 4.18Å; T475-Y480 HydrophobicContact CG2-CE2 4.38Å; T475-Y480 HydrophobicContact CG2-CG 3.54Å; V477-Y480 WeakPolarHBondContact O-CB 3.32Å; V477-Y480 PolarHBondContact O-N 3.16Å; V477-Y480 VanDerWaalsContact O-N 3.16Å; K478-Y480 PolarHBondContact O-N 3.44Å; Y480-E482 PolarHBondContact O-N 3.04Å; Y480-A483 PolarHBondContact O-N 3.04Å; Y480-V484 HydrophobicContact CE1-CG2 4.21Å; Y480-V484 HydrophobicContact CE2-CG2 4.33Å; Y480-V484 WeakPolarHBondContact O-CG2 3.36Å; Y480-V484 PolarHBondContact O-N 2.78Å; Y480-V484 VanDerWaalsContact O-N 3.16Å
481	A	96.5	Very high	95.2	Very high	77 Å²	77	74.7 Å²	74.7	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-66.6	-25.1	178	0	0	0	0	0	112.4	G479 R485	G479-A481 PolarHBondContact O-N 3.35Å; A481-R485 PolarHBondContact O-N 2.83Å; A481-R485 VanDerWaalsContact O-N 3.16Å
482	E	96.8	Very high	94.9	Very high	92 Å²	92	76 Å²	76	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-82.4	-40.8	177.3	-177.2	157.9	-133.5	0	0	112.1	A448 G479 Y480 V484 R485 L486	A448-E482 HydrophobicContact CB-CB 3.91Å; A448-E482 HydrophobicContact CB-CG 3.73Å; G479-E482 CarbonylContact O-C 3.52Å; G479-E482 WeakPolarHBondContact O-CA 3.49Å; G479-E482 WeakPolarHBondContact O-CB 3.39Å; G479-E482 PolarHBondContact O-N 2.87Å; Y480-E482 PolarHBondContact O-N 3.04Å; E482-V484 PolarHBondContact O-N 3.02Å; E482-R485 CarbonylContact O-C 3.6Å; E482-R485 WeakPolarHBondContact O-CA 3.43Å; E482-R485 VanDerWaalsContact O-CB 3.32Å; E482-R485 WeakPolarHBondContact O-CB 3.37Å; E482-R485 PolarHBondContact O-N 2.79Å; E482-R485 IonicContact OE1-CZ 3.87Å; E482-R485 IonicContact OE1-NE 2.98Å; E482-R485 IonicContact OE1-NH2 2.76Å; E482-R485 PolarHBondContact OE1-NH2 2.89Å; E482-L486 HydrophobicContact CG-CD1 4.35Å; E482-L486 HydrophobicContact CG-CG 4.42Å; E482-L486 WeakPolarHBondContact O-CG 3.43Å; E482-L486 PolarHBondContact O-N 3.21Å
483	A	97.5	Very high	94.2	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-53.2	-43.5	169.7	0	0	0	0	0	111	W391 P392 L447 A448 G479 Y480 A487	W391-A483 HydrophobicContact CZ2-CB 4.06Å; P392-A483 HydrophobicContact CB-CB 4.44Å; P392-A483 HydrophobicContact CG-CB 4.05Å; L447-A483 HydrophobicContact CB-CB 4.22Å; L447-A483 WeakPolarHBondContact O-CB 3.42Å; A448-A483 HydrophobicContact CB-CB 4.13Å; G479-A483 PolarHBondContact O-N 3.32Å; Y480-A483 PolarHBondContact O-N 3.04Å; A483-A487 WeakPolarHBondContact O-CB 3.49Å; A483-A487 PolarHBondContact O-N 2.97Å
484	V	97.2	Very high	93.3	Very high	7 Å²	7	75.8 Å²	75.8	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-70.6	-31.1	176.5	175.1	0	0	0	0	112.4	W382 P392 F467 Y471 Y480 E482 K488	W382-V484 HydrophobicContact CH2-CG2 3.87Å; W382-V484 HydrophobicContact CZ3-CG2 4.29Å; P392-V484 HydrophobicContact CG-CB 4.44Å; P392-V484 HydrophobicContact CG-CG2 3.64Å; F467-V484 HydrophobicContact CE2-CG1 3.96Å; F467-V484 HydrophobicContact CZ-CG1 4.15Å; Y471-V484 HydrophobicContact CD2-CG1 4.01Å; Y471-V484 HydrophobicContact CD2-CG2 3.96Å; Y471-V484 HydrophobicContact CE2-CB 4.38Å; Y471-V484 HydrophobicContact CE2-CG1 3.85Å; Y471-V484 HydrophobicContact CE2-CG2 4.08Å; Y480-V484 HydrophobicContact CE1-CG2 4.21Å; Y480-V484 HydrophobicContact CE2-CG2 4.33Å; Y480-V484 WeakPolarHBondContact O-CG2 3.36Å; Y480-V484 PolarHBondContact O-N 2.78Å; Y480-V484 VanDerWaalsContact O-N 3.16Å; E482-V484 PolarHBondContact O-N 3.02Å; V484-K488 HydrophobicContact CG1-CD 4.49Å; V484-K488 WeakPolarHBondContact O-CB 3.44Å; V484-K488 VanDerWaalsContact O-CG 3.29Å; V484-K488 WeakPolarHBondContact O-CG 3.34Å; V484-K488 PolarHBondContact O-N 3.21Å
485	R	96.5	Very high	92	Very high	112 Å²	112	69.2 Å²	69.2	42%	0.423	36%	0.358	S	S	.	.	H	α-helix	trans	-66.3	-53.8	171.9	174.4	-171.1	66.7	82.3	-13	110.7	A481 E482 K488 Q489	A481-R485 PolarHBondContact O-N 2.83Å; A481-R485 VanDerWaalsContact O-N 3.16Å; E482-R485 CarbonylContact O-C 3.6Å; E482-R485 WeakPolarHBondContact O-CA 3.43Å; E482-R485 VanDerWaalsContact O-CB 3.32Å; E482-R485 WeakPolarHBondContact O-CB 3.37Å; E482-R485 PolarHBondContact O-N 2.79Å; E482-R485 IonicContact OE1-CZ 3.87Å; E482-R485 IonicContact OE1-NE 2.98Å; E482-R485 IonicContact OE1-NH2 2.76Å; E482-R485 PolarHBondContact OE1-NH2 2.89Å; R485-K488 PolarHBondContact O-N 2.97Å; R485-Q489 PolarHBondContact O-N 3.15Å
486	L	96.6	Very high	90.2	Very high	24 Å²	24	74.6 Å²	74.6	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-59.1	-49.4	179.9	-69	175.1	0	0	0	111	L447 A448 E482 K488 Q489 I490 Y495	L447-L486 HydrophobicContact CB-CB 4.47Å; A448-L486 HydrophobicContact CB-CD1 3.93Å; E482-L486 HydrophobicContact CG-CD1 4.35Å; E482-L486 HydrophobicContact CG-CG 4.42Å; E482-L486 WeakPolarHBondContact O-CG 3.43Å; E482-L486 PolarHBondContact O-N 3.21Å; L486-K488 VanDerWaalsContact C-N 3.3Å; L486-K488 PolarHBondContact O-N 3.16Å; L486-Q489 PolarHBondContact O-N 2.99Å; L486-I490 WeakPolarHBondContact O-CG1 3.37Å; L486-I490 PolarHBondContact O-N 3.34Å; L486-Y495 HydrophobicContact CD2-CD2 4.24Å; L486-Y495 HydrophobicContact CD2-CE2 3.77Å
487	A	96.8	Very high	88.5	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-53.8	-46.7	176.2	0	0	0	0	0	111.7	I380 P392 L447 F463 A483 Q489 I490 V491	I380-A487 HydrophobicContact CG2-CB 3.99Å; P392-A487 HydrophobicContact CB-CB 3.58Å; P392-A487 HydrophobicContact CG-CB 4.32Å; L447-A487 HydrophobicContact CD1-CB 3.67Å; F463-A487 HydrophobicContact CD2-CB 4.18Å; F463-A487 HydrophobicContact CE1-CB 3.96Å; F463-A487 HydrophobicContact CE2-CB 3.56Å; F463-A487 HydrophobicContact CZ-CB 3.42Å; F463-A487 VanDerWaalsContact CZ-CB 3.42Å; A483-A487 WeakPolarHBondContact O-CB 3.49Å; A483-A487 PolarHBondContact O-N 2.97Å; A487-Q489 VanDerWaalsContact C-N 3.34Å; A487-Q489 PolarHBondContact O-N 2.97Å; A487-I490 PolarHBondContact O-N 3.35Å; A487-V491 WeakPolarHBondContact O-CB 3.32Å; A487-V491 WeakPolarHBondContact O-CG2 3.43Å; A487-V491 PolarHBondContact O-N 3.03Å
488	K	96.1	Very high	86.1	Confident	88 Å²	88	68.2 Å²	68.2	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-33.7	176	-76	-178.4	178.6	-166.9	0	113.6	F463 V484 R485 L486 N492	F463-K488 HydrophobicContact CE1-CG 4.14Å; F463-K488 HydrophobicContact CZ-CG 4.17Å; V484-K488 HydrophobicContact CG1-CD 4.49Å; V484-K488 WeakPolarHBondContact O-CB 3.44Å; V484-K488 VanDerWaalsContact O-CG 3.29Å; V484-K488 WeakPolarHBondContact O-CG 3.34Å; V484-K488 PolarHBondContact O-N 3.21Å; R485-K488 PolarHBondContact O-N 2.97Å; L486-K488 VanDerWaalsContact C-N 3.3Å; L486-K488 PolarHBondContact O-N 3.16Å; K488-N492 WeakPolarHBondContact O-CB 3.26Å; K488-N492 PolarHBondContact O-N 3.36Å; K488-N492 PolarHBondContact O-ND2 3.33Å
489	Q	95	Very high	83.9	Confident	59 Å²	59	66.1 Å²	66.1	28%	0.276	36%	0.364	S	S	.	.	H	α-helix	trans	-69.5	-47	175.9	-72.1	176.3	-80.9	0	0	111.2	R485 L486 A487 N492 G493 T494 Y495	R485-Q489 PolarHBondContact O-N 3.15Å; L486-Q489 PolarHBondContact O-N 2.99Å; A487-Q489 VanDerWaalsContact C-N 3.34Å; A487-Q489 PolarHBondContact O-N 2.97Å; Q489-N492 PolarHBondContact O-N 3.09Å; Q489-G493 PolarHBondContact O-N 3.21Å; Q489-T494 CarbonylContact O-C 3.54Å; Q489-T494 PolarHBondContact O-N 3.45Å; Q489-Y495 HydrophobicContact CB-CD2 4.45Å; Q489-Y495 PolarHBondContact O-N 3.12Å
490	I	93.5	Very high	80.8	Confident	42 Å²	42	71.4 Å²	71.4	22%	0.215	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-50	178.6	-59.4	159.1	0	0	0	109.8	I380 L447 L486 A487 N492 G493 Y495	I380-I490 HydrophobicContact CD1-CD1 4.2Å; I380-I490 HydrophobicContact CD1-CG2 3.95Å; I380-I490 HydrophobicContact CG1-CB 4.25Å; I380-I490 HydrophobicContact CG1-CG2 3.75Å; L447-I490 HydrophobicContact CD1-CD1 4.06Å; L447-I490 HydrophobicContact CD2-CD1 3.79Å; L486-I490 WeakPolarHBondContact O-CG1 3.37Å; L486-I490 PolarHBondContact O-N 3.34Å; A487-I490 PolarHBondContact O-N 3.35Å; I490-N492 PolarHBondContact O-N 3.23Å; I490-N492 VanDerWaalsContact O-N 3.16Å; I490-G493 PolarHBondContact O-N 3.12Å; I490-Y495 HydrophobicContact CD1-CD1 4.45Å; I490-Y495 HydrophobicContact CG1-CD1 3.67Å; I490-Y495 HydrophobicContact CG1-CD2 4.18Å; I490-Y495 HydrophobicContact CG1-CE1 4.37Å; I490-Y495 HydrophobicContact CG1-CG 3.55Å
491	V	91.4	Very high	78.1	Confident	32 Å²	32	74.8 Å²	74.8	19%	0.194	41%	0.407	C	S	.	.	H	α-helix	trans	-65.8	-18.5	-177.1	170.8	0	0	0	0	113.8	I380 F463 K464 A487	I380-V491 HydrophobicContact CB-CG2 3.58Å; I380-V491 HydrophobicContact CG1-CG2 3.8Å; I380-V491 HydrophobicContact CG2-CG2 3.79Å; F463-V491 HydrophobicContact CD1-CB 4.37Å; F463-V491 HydrophobicContact CD1-CG1 4.19Å; F463-V491 HydrophobicContact CD1-CG2 3.8Å; F463-V491 HydrophobicContact CE1-CG2 4.29Å; K464-V491 HydrophobicContact CD-CG1 3.98Å; K464-V491 HydrophobicContact CG-CG1 3.53Å; A487-V491 WeakPolarHBondContact O-CB 3.32Å; A487-V491 WeakPolarHBondContact O-CG2 3.43Å; A487-V491 PolarHBondContact O-N 3.03Å
492	N	90.2	Very high	75.2	Confident	113 Å²	113	79.6 Å²	79.6	60%	0.604	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	7.4	174.8	-66.6	-6.8	0	0	0	113.3	K488 Q489 I490 T494	K488-N492 WeakPolarHBondContact O-CB 3.26Å; K488-N492 PolarHBondContact O-N 3.36Å; K488-N492 PolarHBondContact O-ND2 3.33Å; Q489-N492 PolarHBondContact O-N 3.09Å; I490-N492 PolarHBondContact O-N 3.23Å; I490-N492 VanDerWaalsContact O-N 3.16Å; N492-T494 PolarHBondContact O-N 2.7Å; N492-T494 PolarHBondContact O-OG1 2.91Å
493	G	81.3	Confident	72.3	Confident	72 Å²	72	79.7 Å²	79.7	74%	0.742	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	20.5	-176.8	0	0	0	0	0	114.4	Q489 I490	Q489-G493 PolarHBondContact O-N 3.21Å; I490-G493 PolarHBondContact O-N 3.12Å
494	T	74	Confident	69.2	Low	91 Å²	91	87.9 Å²	87.9	56%	0.558	47%	0.47	S	S	*	.			trans	-105.8	10.6	179.9	-24.2	0	0	0	0	112.3	Q489 N492	Q489-T494 CarbonylContact O-C 3.54Å; Q489-T494 PolarHBondContact O-N 3.45Å; N492-T494 PolarHBondContact O-N 2.7Å; N492-T494 PolarHBondContact O-OG1 2.91Å
495	Y	67.7	Low	66.3	Low	80 Å²	80	94.6 Å²	94.6	31%	0.314	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-95.8	118.2	171.6	-174.1	-108.6	0	0	0	109.1	L486 Q489 I490 P497	L486-Y495 HydrophobicContact CD2-CD2 4.24Å; L486-Y495 HydrophobicContact CD2-CE2 3.77Å; Q489-Y495 HydrophobicContact CB-CD2 4.45Å; Q489-Y495 PolarHBondContact O-N 3.12Å; I490-Y495 HydrophobicContact CD1-CD1 4.45Å; I490-Y495 HydrophobicContact CG1-CD1 3.67Å; I490-Y495 HydrophobicContact CG1-CD2 4.18Å; I490-Y495 HydrophobicContact CG1-CE1 4.37Å; I490-Y495 HydrophobicContact CG1-CG 3.55Å; Y495-P497 HydrophobicContact CD1-CG 4.03Å; Y495-P497 HydrophobicContact CE1-CB 3.94Å; Y495-P497 HydrophobicContact CE1-CG 3.88Å
496	I	55.2	Low	63	Low	142 Å²	142	94.6 Å²	94.6	73%	0.728	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-97	116.5	163.2	-59.8	173.8	0	0	0	104.6	N498	I496-N498 PolarHBondContact O-N 3.02Å; I496-N498 VanDerWaalsContact O-N 3.15Å
497	P	58	Low	60.2	Low	83 Å²	83	101.9 Å²	101.9	54%	0.539	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-58.5	118.2	173.3	-20.7	32.4	0	0	0	108.7	Y495 E499	Y495-P497 HydrophobicContact CD1-CG 4.03Å; Y495-P497 HydrophobicContact CE1-CB 3.94Å; Y495-P497 HydrophobicContact CE1-CG 3.88Å; P497-E499 VanDerWaalsContact C-N 3.31Å; P497-E499 HydrophobicContact CB-CG 4Å; P497-E499 PolarHBondContact O-N 3.02Å
498	N	42.7	Very low	57	Low	94 Å²	94	106.8 Å²	106.8	50%	0.503	59%	0.591	S	S	.	*			trans	-104.4	42.3	-170.4	-144.4	24.9	0	0	0	110.7	I496 N500	I496-N498 PolarHBondContact O-N 3.02Å; I496-N498 VanDerWaalsContact O-N 3.15Å; N498-N500 PolarHBondContact O-N 3.34Å
499	E	46.3	Very low	54.2	Low	161 Å²	161	108.3 Å²	108.3	75%	0.752	61%	0.61	S	S	*	*	S	Bend	trans	-67.9	8.7	-176.7	-43.2	-59.7	125.7	0	0	113.2	P497	P497-E499 VanDerWaalsContact C-N 3.31Å; P497-E499 HydrophobicContact CB-CG 4Å; P497-E499 PolarHBondContact O-N 3.02Å
500	N	30.2	Very low	51.5	Low	126 Å²	126	114.8 Å²	114.8	67%	0.674	64%	0.64	S	S	*	*	S	Bend	trans	-152	59.2	-175.7	-164.9	-12.7	0	0	0	111.2	N498	N498-N500 PolarHBondContact O-N 3.34Å
501	L	40.5	Very low	48.6	Very low	76 Å²	76	120 Å²	120	40%	0.398	67%	0.669	S	S	.	*			trans	-130.1	5	176.6	-143.6	91.5	0	0	0	116.5	S503 L505	L501-S503 PolarHBondContact O-N 2.91Å; L501-L505 HydrophobicContact CD2-CD1 3.53Å; L501-L505 HydrophobicContact CD2-CG 4.02Å; L501-L505 HydrophobicContact CG-CD1 4.37Å; L501-L505 HydrophobicContact CG-CG 4.34Å
502	D	36.6	Very low	46	Very low	177 Å²	177	128.3 Å²	128.3	95%	0.947	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-4.6	168.2	-82.9	-42.2	0	0	0	113
503	S	34.5	Very low	43.3	Very low	94 Å²	94	126.8 Å²	126.8	66%	0.657	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-10.1	-170.4	-53.8	0	0	0	0	116.6	L501	L501-S503 PolarHBondContact O-N 2.91Å
504	Q	33	Very low	41.3	Very low	172 Å²	172	131.4 Å²	131.4	80%	0.804	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.3	-4	-173.7	-75.2	-156.2	12	0	0	118.8	C506	Q504-C506 PolarHBondContact O-N 2.85Å
505	L	35.4	Very low	39.5	Very low	149 Å²	149	132.1 Å²	132.1	78%	0.78	71%	0.711	S	S	*	*			trans	-86.2	45.6	174.9	-72.9	-167.7	0	0	0	114.6	L501	L501-L505 HydrophobicContact CD2-CD1 3.53Å; L501-L505 HydrophobicContact CD2-CG 4.02Å; L501-L505 HydrophobicContact CG-CD1 4.37Å; L501-L505 HydrophobicContact CG-CG 4.34Å
506	C	28.5	Very low	37.9	Very low	111 Å²	111	133.1 Å²	133.1	75%	0.75	73%	0.73	S	S	*	*			trans	-115.7	69.2	162.4	-168.9	0	0	0	0	110.2	Q504	Q504-C506 PolarHBondContact O-N 2.85Å
507	M	36.9	Very low	37.2	Very low	178 Å²	178	134.1 Å²	134.1	88%	0.877	74%	0.735	S	S	*	*	S	Bend	trans	-147.1	151	163.9	-96.5	-55	110.4	0	0	113.2
508	S	30.2	Very low	36.3	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	75%	0.751	S	S	*	*			trans	-69.4	149.3	-161	-155.5	0	0	0	0	115.4
509	P	38	Very low	36.3	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	77%	0.765	S	S	*	*			trans	-70.4	133.8	-179.8	28.4	-36.2	0	0	0	113.6	N511	P509-N511 PolarHBondContact O-N 3.33Å; P509-N511 VanDerWaalsContact O-N 3.16Å
510	Q	36.4	Very low	36.1	Very low	195 Å²	195	136.1 Å²	136.1	91%	0.911	77%	0.769	S	S	*	*			trans	-73.9	107.6	177.5	-79.1	-168.7	-17	0	0	113.5
511	N	33.4	Very low	36.7	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	78%	0.781	S	S	*	*			trans	7.3	126.6	147.5	-75	-47.7	0	0	0	119.2	P509	P509-N511 PolarHBondContact O-N 3.33Å; P509-N511 VanDerWaalsContact O-N 3.16Å
512	K	36.7	Very low	36.7	Very low	205 Å²	205	139.6 Å²	139.6	89%	0.891	79%	0.794	S	S	*	*			trans	-119.8	107.6	134	-77.7	-172	175.3	-179.3	0	109.6
513	S	34.5	Very low	36.8	Very low	82 Å²	82	135.8 Å²	135.8	57%	0.573	79%	0.787	S	S	*	*			trans	31.4	117.4	148.9	57.6	0	0	0	0	117.4
514	H	38.3	Very low	37.2	Very low	169 Å²	169	137 Å²	137	78%	0.782	79%	0.792	S	S	*	*				-168.9	141.6	67.5	-86.6	-80.9	0	0	0	114
515	S	35.8	Very low	37.6	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	79%	0.79	S	S	*	*			trans	53.6	119.6	145.8	63.4	0	0	0	0	122.6
516	S	35.6	Very low	37.8	Very low	101 Å²	101	132.3 Å²	132.3	71%	0.706	79%	0.789	S	S	*	*				114	145.1	122.3	76.2	0	0	0	0	119.6
517	L	39.2	Very low	38.4	Very low	163 Å²	163	133.6 Å²	133.6	85%	0.853	79%	0.793	S	S	*	*			trans	59.9	111	-174.4	-60.5	101.8	0	0	0	114.7
518	S	40.1	Very low	38.4	Very low	125 Å²	125	131.5 Å²	131.5	87%	0.874	79%	0.786	S	S	*	*			cis	93	114.2	44.3	-170.6	0	0	0	0	112.4
519	G	43	Very low	38.8	Very low	77 Å²	77	131.2 Å²	131.2	79%	0.794	78%	0.783	S	S	*	*			trans	169.4	81.5	-177.5	0	0	0	0	0	110.8
520	Q	41.5	Very low	38.9	Very low	179 Å²	179	133.1 Å²	133.1	84%	0.836	78%	0.782	S	S	*	*			trans	-84.2	132.3	177.5	-61	173.9	-76.3	0	0	111.3
521	I	43.7	Very low	39	Very low	178 Å²	178	136.6 Å²	136.6	91%	0.913	79%	0.787	S	S	*	*			trans	-141	145.2	141.3	-53.5	-177.3	0	0	0	106.4
522	S	39.2	Very low	39.1	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	78%	0.783	S	S	*	*			trans	-125.2	136.9	-164.9	-55.9	0	0	0	0	114.1
523	A	39	Very low	39	Very low	97 Å²	97	130.1 Å²	130.1	80%	0.802	78%	0.779	S	S	*	*			trans	61.3	179.7	146.3	0	0	0	0	0	117.2
524	P	42.1	Very low	39.2	Very low	119 Å²	119	135 Å²	135	77%	0.773	80%	0.795	S	S	*	*			cis	-123.7	171.7	-11.8	41	-27.6	0	0	0	114.6
525	P	43	Very low	39.1	Very low	116 Å²	116	132.8 Å²	132.8	75%	0.753	79%	0.794	S	S	*	*			trans	-98.5	147.6	164	36.9	-31.6	0	0	0	112.6
526	S	38.5	Very low	39	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	80%	0.8	S	S	*	*			trans	162.6	143.9	148.5	-79.4	0	0	0	0	112.1
527	T	40.8	Very low	39	Very low	138 Å²	138	137.6 Å²	137.6	85%	0.847	81%	0.808	S	S	*	*			trans	60.7	157.9	159	47.7	0	0	0	0	117.6
528	D	37.5	Very low	38.4	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	81%	0.809	S	S	*	*			cis	-136.4	-170.5	0.5	-155.8	-8.6	0	0	0	111.4
529	S	38.4	Very low	38.1	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	81%	0.806	S	S	*	*			trans	-99.5	-158.3	-166.5	-38.5	0	0	0	0	112.1
530	Q	41.3	Very low	37.6	Very low	161 Å²	161	137.4 Å²	137.4	75%	0.752	81%	0.808	S	S	*	*			trans	75.6	73.8	160.4	-43	-168.9	24.1	0	0	117.8
531	W	36.8	Very low	37.5	Very low	268 Å²	268	135.4 Å²	135.4	100%	1.015	80%	0.802	S	S	*	*			trans	-118.5	103.7	140	-83.1	66.5	0	0	0	108
532	S	36.7	Very low	37.3	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	80%	0.795	S	S	*	*			trans	-144.2	144.8	-175.6	-55.9	0	0	0	0	111.6
533	S	33.6	Very low	37.2	Very low	117 Å²	117	137.5 Å²	137.5	82%	0.818	80%	0.801	S	S	*	*			trans	65.7	60.2	150.8	-51.9	0	0	0	0	119.3
534	M	39.6	Very low	37.5	Very low	186 Å²	186	138.9 Å²	138.9	92%	0.916	80%	0.802	S	S	*	*			trans	-144.7	138.1	140	-65.5	-163.3	179.2	0	0	107.4
535	T	35.8	Very low	37.1	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	80%	0.801	S	S	*	*			cis	-137	142.5	17.2	48.1	0	0	0	0	113
536	T	33.2	Very low	37	Very low	141 Å²	141	140.7 Å²	140.7	87%	0.865	81%	0.809	S	S	*	*			trans	-91.6	119.7	161.9	48.5	0	0	0	0	110.8
537	L	35.6	Very low	36.9	Very low	165 Å²	165	138.5 Å²	138.5	86%	0.864	80%	0.803	S	S	*	*			trans	-138.4	121.6	161.6	-75.8	179.4	0	0	0	110.1
538	S	27.7	Very low	36.8	Very low	126 Å²	126	138.9 Å²	138.9	88%	0.881	81%	0.805	S	S	*	*			trans	-75.5	141.6	170.3	-52.8	0	0	0	0	110.3
539	S	34.1	Very low	37	Very low	116 Å²	116	136.7 Å²	136.7	81%	0.811	80%	0.8	S	S	*	*			trans	-124.8	118.9	160.3	-168.8	0	0	0	0	109.1
540	S	31.9	Very low	36.9	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	80%	0.803	S	S	*	*			trans	-133	100.4	173.6	-174	0	0	0	0	107.1
541	L	38.7	Very low	36.9	Very low	138 Å²	138	138.4 Å²	138.4	72%	0.723	80%	0.802	S	S	*	*			trans	-168.1	135.8	-172.7	-136.5	69.7	0	0	0	106.5
542	E	39.2	Very low	37	Very low	162 Å²	162	131.4 Å²	131.4	76%	0.757	79%	0.789	S	S	*	*			cis	-154.4	158.7	-15.2	-123.1	168.5	-171.7	0	0	107.2
543	I	37.1	Very low	37.1	Very low	155 Å²	155	132 Å²	132	80%	0.795	79%	0.794	S	S	*	*			trans	-104.8	117.6	177.4	-60.6	175	0	0	0	110
544	P	46.6	Very low	37.2	Very low	127 Å²	127	137.9 Å²	137.9	83%	0.825	80%	0.798	S	S	*	*			trans	-70.7	127	169.6	-17.8	32.3	0	0	0	111.6
545	T	34	Very low	37.1	Very low	123 Å²	123	137.8 Å²	137.8	76%	0.755	80%	0.795	S	S	*	*			trans	-103	121.9	-177.6	52.8	0	0	0	0	113.4
546	T	39.3	Very low	37.3	Very low	150 Å²	150	138.9 Å²	138.9	92%	0.92	80%	0.796	S	S	*	*			trans	-169.2	132.9	151.9	42.5	0	0	0	0	108.6
547	G	37.6	Very low	37.9	Very low	61 Å²	61	139.6 Å²	139.6	63%	0.629	79%	0.791	S	S	*	*			cis	174.6	171.7	-5.8	0	0	0	0	0	110.8
548	T	38.6	Very low	38	Very low	146 Å²	146	137.8 Å²	137.8	90%	0.896	78%	0.782	S	S	*	*			trans	62.9	143	176.2	59.2	0	0	0	0	118.1
549	S	40.5	Very low	38.7	Very low	88 Å²	88	140.3 Å²	140.3	62%	0.615	78%	0.778	S	S	*	*			cis	-171.6	141	-17.2	52.5	0	0	0	0	112.2
550	N	37.9	Very low	39	Very low	137 Å²	137	143.6 Å²	143.6	73%	0.733	78%	0.78	S	S	*	*			trans	64.6	150.5	154.2	-60	-30.5	0	0	0	118.5
551	Q	40.8	Very low	39.3	Very low	156 Å²	156	143.2 Å²	143.2	73%	0.729	77%	0.773	S	S	*	*			cis	-159.8	162.2	-10	-117	167.3	43.3	0	0	111.3
552	T	38.3	Very low	39.4	Very low	121 Å²	121	142.8 Å²	142.8	74%	0.742	77%	0.77	S	S	*	*			trans	1	151.8	156.9	29	0	0	0	0	121.7
553	S	39.7	Very low	39.4	Very low	117 Å²	117	141.8 Å²	141.8	82%	0.818	77%	0.769	S	S	*	*			cis	-158.3	-177.9	30.3	-129.1	0	0	0	0	115.4
554	R	35.1	Very low	39.4	Very low	240 Å²	240	141.4 Å²	141.4	91%	0.906	77%	0.767	S	S	*	*			trans	-118.2	155.2	-178.9	-65.2	170.5	162.9	-178.5	-6.1	113.1
555	E	38	Very low	39.3	Very low	184 Å²	184	140.2 Å²	140.2	86%	0.86	76%	0.76	S	S	*	*			trans	178.3	167.2	148.6	-98.2	-165	120.2	0	0	109
556	L	39.5	Very low	39.4	Very low	144 Å²	144	139.4 Å²	139.4	75%	0.754	76%	0.759	S	S	*	*			cis	-165.6	-179.7	-48.1	-128.5	177.9	0	0	0	108.7
557	M	46.2	Very low	39.3	Very low	157 Å²	157	141.1 Å²	141.1	77%	0.773	76%	0.757	S	S	*	*			trans	71.2	151.8	167.9	-58.7	-174.1	79	0	0	118.4
558	D	37.8	Very low	39.9	Very low	127 Å²	127	146.1 Å²	146.1	68%	0.679	77%	0.768	S	S	*	*			cis	-156.2	175.2	-31	-124.2	-48	0	0	0	114.4
559	K	41.1	Very low	40.6	Very low	179 Å²	179	144.8 Å²	144.8	78%	0.778	76%	0.762	S	S	*	*			trans	-97.4	164.6	-169.4	-53.5	163.2	-178.6	171.3	0	115.4
560	H	41.8	Very low	41.1	Very low	185 Å²	185	146.5 Å²	146.5	86%	0.856	77%	0.771	S	S	*	*			trans	168.5	167	151.8	-93.8	-52.7	0	0	0	109.8
561	T	38.3	Very low	41.1	Very low	111 Å²	111	147.3 Å²	147.3	68%	0.681	78%	0.775	S	S	*	*			cis	-180	145.6	-30.4	-104.7	0	0	0	0	108.7
562	I	41	Very low	41.7	Very low	129 Å²	129	144.6 Å²	144.6	66%	0.662	77%	0.771	S	S	*	*			cis	-172.6	146.2	-22.2	-147.4	-169.8	0	0	0	111.9
563	L	38.1	Very low	41.9	Very low	140 Å²	140	149 Å²	149	73%	0.733	78%	0.776	S	S	*	*			trans	69.5	163.1	159.9	-50.1	-178.3	0	0	0	119.7
564	L	38.2	Very low	42	Very low	147 Å²	147	149 Å²	149	77%	0.77	77%	0.771	S	S	*	*			cis	-155.2	-169.4	-10.3	-131.7	75.5	0	0	0	109.8
565	P	43.9	Very low	42.3	Very low	102 Å²	102	142.6 Å²	142.6	66%	0.662	76%	0.763	S	S	*	*			trans	-138.3	-154.4	-145.3	39.1	-10.6	0	0	0	116.6
566	S	36.7	Very low	42.4	Very low	107 Å²	107	138.4 Å²	138.4	75%	0.748	75%	0.754	S	S	*	*			trans	73.9	158.1	164.7	-55.2	0	0	0	0	117.2
567	E	37	Very low	42.4	Very low	186 Å²	186	139.2 Å²	139.2	87%	0.869	75%	0.754	S	S	*	*			cis	-146.2	-172.4	10	-149.2	161.8	-163.1	0	0	112.5
568	L	49.9	Very low	42	Very low	165 Å²	165	139 Å²	139	86%	0.864	76%	0.755	S	S	*	*			trans	-91.3	150.9	-164.6	-93.9	75.1	0	0	0	117.3
569	P	52.3	Low	41.7	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	76%	0.755	S	S	*	*			trans	-115.6	159.8	172.3	40.8	-32.5	0	0	0	115.8
570	P	52.3	Low	41.7	Very low	123 Å²	123	134.4 Å²	134.4	80%	0.799	75%	0.752	S	S	*	*			trans	-134.3	140	170.4	38.9	-24	0	0	0	117.9
571	D	36.8	Very low	41.4	Very low	155 Å²	155	131.1 Å²	131.1	83%	0.829	75%	0.75	S	S	*	*				20.4	148.7	123.9	-90.3	30.9	0	0	0	122.4
572	P	54.1	Low	41.8	Very low	99 Å²	99	130.7 Å²	130.7	64%	0.643	75%	0.749	S	S	*	*				-161	174.7	77.4	44.8	-25	0	0	0	121.4
573	Y	42.9	Very low	41.6	Very low	212 Å²	212	134.1 Å²	134.1	83%	0.831	76%	0.762	S	S	*	*			trans	72.6	141	149.1	-74.6	-47.1	0	0	0	120.2
574	V	42.1	Very low	41.4	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.715	76%	0.764	S	S	*	*			cis	-143.5	133.8	-6.3	-156.3	0	0	0	0	106.4
575	S	39.3	Very low	41.4	Very low	105 Å²	105	132 Å²	132	73%	0.734	77%	0.766	S	S	*	*				36.9	141	90.9	-92.6	0	0	0	0	116.3
576	S	40.1	Very low	41	Very low	96 Å²	96	133 Å²	133	67%	0.671	77%	0.77	S	S	*	*			cis	-162.6	157.2	25.2	-100.6	0	0	0	0	113.4
577	Q	39.6	Very low	41	Very low	161 Å²	161	135.4 Å²	135.4	75%	0.752	77%	0.774	S	S	*	*			trans	41.2	141.9	132.3	-50.2	-65.5	4.7	0	0	120.3
578	L	38.6	Very low	41.1	Very low	152 Å²	152	133.3 Å²	133.3	80%	0.796	77%	0.768	S	S	*	*			cis	-162.3	175.6	15.8	-118.7	159.7	0	0	0	110.9
579	S	32.6	Very low	40.6	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	77%	0.766	S	S	*	*			trans	-93.6	-167.2	175.2	62.5	0	0	0	0	111.7
580	P	39.3	Very low	39.8	Very low	113 Å²	113	134 Å²	134	73%	0.734	76%	0.76	S	S	*	*			cis	-143.4	-179.5	-0.1	43.3	-24.2	0	0	0	118.4
581	S	36.2	Very low	39.3	Very low	116 Å²	116	132 Å²	132	81%	0.811	76%	0.761	S	S	*	*			trans	79.6	149.7	148.5	-127.5	0	0	0	0	121.6
582	P	45.9	Very low	39.4	Very low	102 Å²	102	134.4 Å²	134.4	66%	0.662	77%	0.768	S	S	*	*			trans	-118.5	161.2	-172.3	42.1	-31.3	0	0	0	116
583	H	38	Very low	38.5	Very low	201 Å²	201	133.3 Å²	133.3	93%	0.931	77%	0.774	S	S	*	*			trans	-155.8	164.6	155.8	-84.1	-46.2	0	0	0	112.8
584	S	32.9	Very low	38.2	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	78%	0.775	S	S	*	*			trans	-91.8	154.9	-167.4	-40.4	0	0	0	0	115.7
585	V	39.5	Very low	37.9	Very low	133 Å²	133	130.7 Å²	130.7	81%	0.806	77%	0.773	S	S	*	*			trans	-172.6	115	130.4	-91.3	0	0	0	0	109.5
586	T	35.3	Very low	37.7	Very low	122 Å²	122	136.7 Å²	136.7	75%	0.748	78%	0.78	S	S	*	*				48.8	125	90.5	54.4	0	0	0	0	118.1
587	N	36.6	Very low	37.5	Very low	157 Å²	157	138.1 Å²	138.1	84%	0.84	79%	0.785	S	S	*	*			trans	-149.8	-167	157.7	-130.6	-97.6	0	0	0	112.3
588	L	39.2	Very low	37.3	Very low	142 Å²	142	134.8 Å²	134.8	74%	0.743	78%	0.78	S	S	*	*			trans	-116.4	175.7	-162.3	-55.3	-179.3	0	0	0	112.1
589	Y	38	Very low	37.2	Very low	207 Å²	207	135 Å²	135	81%	0.812	78%	0.781	S	S	*	*			cis	-154.5	-165.1	14.1	-157.3	-148.1	0	0	0	114.6
590	S	37.3	Very low	37.4	Very low	93 Å²	93	134.6 Å²	134.6	65%	0.65	78%	0.784	S	S	*	*			trans	-63.6	160.1	-172.1	-49.8	0	0	0	0	119.8
591	G	40.6	Very low	37.3	Very low	80 Å²	80	138.8 Å²	138.8	83%	0.825	79%	0.791	S	S	*	*			trans	165.1	98.6	155.7	0	0	0	0	0	115.2
592	E	38.5	Very low	37	Very low	206 Å²	206	139.1 Å²	139.1	96%	0.963	79%	0.793	S	S	*	*			trans	-84.6	147.6	173.5	-57.3	-174.4	146.9	0	0	112.1
593	G	35.5	Very low	36.5	Very low	75 Å²	75	139.8 Å²	139.8	77%	0.773	80%	0.8	S	S	*	*			trans	173.8	73.8	175.6	0	0	0	0	0	120.6
594	L	37.6	Very low	36.2	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	79%	0.792	S	S	*	*			trans	42.5	96.8	130.6	-160.6	71.5	0	0	0	121.7
595	V	34.4	Very low	36.4	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.685	79%	0.794	S	S	*	*				56.4	131.3	125.9	173.5	0	0	0	0	121.5
596	R	35.3	Very low	36.2	Very low	231 Å²	231	136.6 Å²	136.6	87%	0.872	79%	0.791	S	S	*	*			trans	75.9	155.1	171.6	-68	167.6	-172.5	-165.7	5.9	115.3
597	T	36.7	Very low	36.2	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	80%	0.795	S	S	*	*			cis	-143.1	178.3	-5.1	-7	0	0	0	0	110.8
598	S	35.5	Very low	36.2	Very low	92 Å²	92	135.3 Å²	135.3	64%	0.643	79%	0.787	S	S	*	*			trans	-43.7	150.7	163.6	51.1	0	0	0	0	115.4
599	D	37.2	Very low	35.8	Very low	156 Å²	156	133.9 Å²	133.9	83%	0.834	79%	0.787	S	S	*	*				-153.3	165.1	119.3	-99.5	-27.7	0	0	0	111.1
600	A	36.6	Very low	35.6	Very low	88 Å²	88	132.3 Å²	132.3	73%	0.727	79%	0.792	S	S	*	*			trans	-122.8	137.9	-174.2	0	0	0	0	0	111.6
601	F	36.7	Very low	35.4	Very low	202 Å²	202	135.6 Å²	135.6	89%	0.886	80%	0.801	S	S	*	*			trans	-135	114.7	168.9	-82.8	-79.7	0	0	0	111.1
602	S	28.9	Very low	35.4	Very low	123 Å²	123	140 Å²	140	86%	0.86	80%	0.804	S	S	*	*			trans	-84.3	136	163.8	-56.8	0	0	0	0	109.4
603	S	35.9	Very low	35.3	Very low	116 Å²	116	133.5 Å²	133.5	81%	0.811	79%	0.792	S	S	*	*			trans	-143.8	118.2	162	58.8	0	0	0	0	110.7
604	T	31.9	Very low	35.4	Very low	124 Å²	124	137.7 Å²	137.7	76%	0.761	80%	0.797	S	S	*	*			trans	-79.6	140.9	177.2	-50.3	0	0	0	0	110.6
605	S	37.2	Very low	35.7	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	80%	0.799	S	S	*	*			trans	-140.1	144.8	156.6	58.4	0	0	0	0	109.9
606	N	35.1	Very low	35.7	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	81%	0.805	S	S	*	*			trans	-111.6	150.4	-173	-56	-51.3	0	0	0	110.4
607	N	36.5	Very low	35.9	Very low	155 Å²	155	136.4 Å²	136.4	83%	0.829	80%	0.803	S	S	*	*			trans	-152.2	101.8	151	-81.6	-45	0	0	0	106.3
608	S	36.1	Very low	35.7	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	81%	0.806	S	S	*	*				49.1	92.7	91.6	68.5	0	0	0	0	112.4
609	C	30.5	Very low	35.9	Very low	111 Å²	111	142.1 Å²	142.1	75%	0.75	82%	0.815	S	S	*	*				74.7	102.2	76.3	-173.3	0	0	0	0	113.7
610	L	33.7	Very low	36	Very low	175 Å²	175	140.4 Å²	140.4	92%	0.916	81%	0.813	S	S	*	*			trans	-141.9	118.9	146.4	-81	-177.1	0	0	0	109.1
611	L	33.6	Very low	35.9	Very low	161 Å²	161	144.7 Å²	144.7	84%	0.843	82%	0.818	S	S	*	*			trans	-99.7	131.2	159.5	-87.5	162.1	0	0	0	107.2
612	I	39.2	Very low	36	Very low	173 Å²	173	143.5 Å²	143.5	89%	0.887	82%	0.82	S	S	*	*			trans	-174.6	140.5	157.7	-101.2	147.3	0	0	0	109.5
613	G	36.4	Very low	36.3	Very low	69 Å²	69	142.3 Å²	142.3	71%	0.711	80%	0.803	S	S	*	*			trans	96.2	89.2	149.7	0	0	0	0	0	117.3	K615	G613-K615 PolarHBondContact O-N 2.88Å
614	D	38.8	Very low	36.6	Very low	164 Å²	164	144.4 Å²	144.4	88%	0.877	81%	0.806	S	S	*	*			trans	-61.6	126.2	160.8	-56	-77.4	0	0	0	111.2
615	K	42.8	Very low	37	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	80%	0.804	S	S	*	*			trans	-162.9	132.3	154.7	-109.7	152.2	-171	176.3	0	110.2	G613	G613-K615 PolarHBondContact O-N 2.88Å
616	S	34.3	Very low	37	Very low	116 Å²	116	144.2 Å²	144.2	81%	0.811	80%	0.801	S	S	*	*			trans	-64.4	137.2	178.6	-166.1	0	0	0	0	110.9
617	L	39.8	Very low	37.4	Very low	160 Å²	160	144.4 Å²	144.4	84%	0.838	80%	0.799	S	S	*	*			trans	-149.8	106.4	168.3	-136.8	164.2	0	0	0	107.4
618	E	33.9	Very low	37.5	Very low	177 Å²	177	148.7 Å²	148.7	83%	0.827	80%	0.803	S	S	*	*			trans	-67.1	138	-179.1	-66.7	166.5	123.6	0	0	110.4
619	L	39.5	Very low	37.7	Very low	161 Å²	161	147.8 Å²	147.8	84%	0.843	80%	0.802	S	S	*	*			trans	-108.2	133.2	164	-94.9	161.3	0	0	0	107.3
620	P	39.1	Very low	38.4	Very low	120 Å²	120	148.4 Å²	148.4	78%	0.779	80%	0.804	S	S	*	*			trans	-59.5	143.8	-172.7	-26.1	35	0	0	0	113.5	L622	P620-L622 PolarHBondContact O-N 3.25Å
621	E	35	Very low	39.1	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	80%	0.801	S	S	*	*			trans	-59.6	124.9	174.9	-63.9	165.4	130.5	0	0	110.4	D623	E621-D623 VanDerWaalsContact C-N 3.28Å; E621-D623 HydrophobicContact CB-CB 4.37Å
622	L	38.9	Very low	40	Very low	178 Å²	178	145.3 Å²	145.3	93%	0.932	80%	0.795	S	S	*	*			trans	-102.3	44.6	158.7	-160	74.3	0	0	0	109	P620 N624	P620-L622 PolarHBondContact O-N 3.25Å; L622-N624 PolarHBondContact O-N 2.96Å
623	D	34.7	Very low	40.1	Very low	97 Å²	97	145.6 Å²	145.6	52%	0.519	79%	0.793	S	S	.	*			trans	-78.3	111.1	-179.5	-166.9	5.4	0	0	0	109.9	E621 M625	E621-D623 VanDerWaalsContact C-N 3.28Å; E621-D623 HydrophobicContact CB-CB 4.37Å; D623-M625 PolarHBondContact OD1-N 3.34Å; D623-M625 VanDerWaalsContact OD1-N 3.08Å
624	N	41.3	Very low	40.5	Very low	161 Å²	161	149.2 Å²	149.2	86%	0.861	80%	0.795	S	S	*	*			trans	-131	26.1	175.1	-144.6	-7.2	0	0	0	110.4	L622	L622-N624 PolarHBondContact O-N 2.96Å
625	M	41.1	Very low	40.8	Very low	146 Å²	146	147.7 Å²	147.7	72%	0.719	79%	0.787	S	S	*	*			trans	-82.8	110.7	163.4	-82.4	-176.9	53.1	0	0	108.6	D623 M627	D623-M625 PolarHBondContact OD1-N 3.34Å; D623-M625 VanDerWaalsContact OD1-N 3.08Å; M625-M627 HydrophobicContact CB-CG 4.37Å; M625-M627 PolarHBondContact O-N 3.49Å
626	A	37.5	Very low	41	Very low	91 Å²	91	144.4 Å²	144.4	75%	0.752	78%	0.784	S	S	*	*			trans	-67.9	74.9	172.5	0	0	0	0	0	111.1	W628	A626-W628 PolarHBondContact O-N 3.25Å; A626-W628 VanDerWaalsContact O-N 3.15Å
627	M	42.5	Very low	41.4	Very low	140 Å²	140	144.1 Å²	144.1	69%	0.69	78%	0.782	S	S	*	*			trans	-66.8	109	175.2	-67.1	-162.3	-73.4	0	0	109	M625 A629	M625-M627 HydrophobicContact CB-CG 4.37Å; M625-M627 PolarHBondContact O-N 3.49Å; M627-A629 PolarHBondContact O-N 3.02Å
628	W	37.9	Very low	41.6	Very low	245 Å²	245	140.1 Å²	140.1	93%	0.928	78%	0.779	S	S	*	*			trans	-65.9	96.9	173.7	-79.1	71.9	0	0	0	109.6	A626	A626-W628 PolarHBondContact O-N 3.25Å; A626-W628 VanDerWaalsContact O-N 3.15Å
629	A	42	Very low	42	Very low	78 Å²	78	138.8 Å²	138.8	65%	0.645	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-55.5	136.9	167.4	0	0	0	0	0	109.3	M627 L631	M627-A629 PolarHBondContact O-N 3.02Å; A629-L631 PolarHBondContact O-N 3.2Å
630	P	45	Very low	42.1	Very low	124 Å²	124	133.5 Å²	133.5	81%	0.805	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-55.6	131.4	173.5	-24.2	34	0	0	0	110.2
631	L	48.1	Very low	42.2	Very low	160 Å²	160	135 Å²	135	84%	0.838	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-54.3	134.8	172.5	-79.1	167.9	0	0	0	109.1	A629 Q633	A629-L631 PolarHBondContact O-N 3.2Å; L631-Q633 PolarHBondContact O-N 2.67Å
632	P	51.4	Low	42.7	Very low	112 Å²	112	134.4 Å²	134.4	73%	0.727	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.6	-178.9	23.4	-33.2	0	0	0	109.6	L634	P632-L634 PolarHBondContact O-N 2.7Å
633	Q	42.5	Very low	42.8	Very low	178 Å²	178	134.3 Å²	134.3	83%	0.832	76%	0.757	S	S	*	*			trans	-65.3	100.9	-173.9	-173.9	170.4	-22	0	0	109.6	L631 D635	L631-Q633 PolarHBondContact O-N 2.67Å; Q633-D635 PolarHBondContact O-N 3.11Å
634	L	45.2	Very low	43.4	Very low	145 Å²	145	135.1 Å²	135.1	76%	0.759	77%	0.766	S	S	*	*			trans	-68.8	97.4	-178.4	-104.8	162.7	0	0	0	109.9	P632 V636	P632-L634 PolarHBondContact O-N 2.7Å; L634-V636 VanDerWaalsContact C-N 3.34Å; L634-V636 HydrophobicContact CB-CG2 4.44Å; L634-V636 VanDerWaalsContact O-CG2 3.26Å; L634-V636 WeakPolarHBondContact O-CG2 3.17Å; L634-V636 PolarHBondContact O-N 3.34Å
635	D	44.2	Very low	43.8	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	76%	0.755	S	S	*	*			trans	-67.6	91	169.5	-97.4	-32.1	0	0	0	109.8	Q633 S637	Q633-D635 PolarHBondContact O-N 3.11Å; D635-S637 PolarHBondContact O-N 3.29Å
636	V	47.8	Very low	44.1	Very low	135 Å²	135	131.4 Å²	131.4	82%	0.818	76%	0.759	S	S	*	*			trans	-77.7	47.3	179.7	-154.2	0	0	0	0	111.6	L634	L634-V636 VanDerWaalsContact C-N 3.34Å; L634-V636 HydrophobicContact CB-CG2 4.44Å; L634-V636 VanDerWaalsContact O-CG2 3.26Å; L634-V636 WeakPolarHBondContact O-CG2 3.17Å; L634-V636 PolarHBondContact O-N 3.34Å
637	S	41.9	Very low	44.3	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	77%	0.765	S	S	*	*	S	Bend	trans	-126.7	60.1	-174.5	-64.9	0	0	0	0	111.4	D635	D635-S637 PolarHBondContact O-N 3.29Å
638	G	43.4	Very low	44.7	Very low	75 Å²	75	134.9 Å²	134.9	77%	0.773	77%	0.766	S	S	*	*	S	Bend	trans	161.8	-22.2	169.3	0	0	0	0	0	117.6	G640	G638-G640 PolarHBondContact O-N 2.96Å
639	L	42.9	Very low	45.2	Very low	149 Å²	149	132.3 Å²	132.3	78%	0.78	76%	0.764	S	S	*	*			trans	-85.5	93.9	-174.5	-77.2	162	0	0	0	112.3	F642	L639-F642 HydrophobicContact CD2-CE2 3.99Å
640	G	40.9	Very low	45.6	Very low	51 Å²	51	135.8 Å²	135.8	53%	0.526	77%	0.772	S	S	.	*			trans	-79.3	149.9	172.8	0	0	0	0	0	113.7	G638	G638-G640 PolarHBondContact O-N 2.96Å
641	V	41.3	Very low	46.2	Very low	152 Å²	152	138 Å²	138	92%	0.921	77%	0.772	S	S	*	*			trans	48.3	66.6	156.6	-159.7	0	0	0	0	115.9
642	F	46.3	Very low	46.5	Very low	164 Å²	164	139.8 Å²	139.8	72%	0.719	78%	0.776	S	S	*	*			trans	-98.1	121.6	159.4	-80.2	-88.7	0	0	0	110.7	L639 V644	L639-F642 HydrophobicContact CD2-CE2 3.99Å; F642-V644 PolarHBondContact O-N 2.81Å
643	H	41.9	Very low	46.4	Very low	175 Å²	175	143.4 Å²	143.4	81%	0.81	78%	0.783	S	S	*	*			trans	-80.9	80.2	-175.7	-178.1	-71.6	0	0	0	110.8	P645	H643-P645 WeakPolarHBondContact O-CD 3.5Å
644	V	47	Very low	46.8	Very low	115 Å²	115	141.5 Å²	141.5	70%	0.697	78%	0.778	S	S	*	*			trans	-70.4	126	170.1	-178.4	0	0	0	0	108.8	F642 T646	F642-V644 PolarHBondContact O-N 2.81Å; V644-T646 PolarHBondContact O-N 3.36Å
645	P	48.2	Very low	47.2	Very low	99 Å²	99	138.9 Å²	138.9	64%	0.643	77%	0.765	S	S	*	*			trans	-64.4	103.4	176.5	-21.8	34.2	0	0	0	111.3	H643 F647	H643-P645 WeakPolarHBondContact O-CD 3.5Å; P645-F647 PolarHBondContact O-N 3.17Å
646	T	48	Very low	48.1	Very low	129 Å²	129	138.8 Å²	138.8	79%	0.791	76%	0.76	S	S	*	*			trans	-73.5	118.3	165.2	47.9	0	0	0	0	108.5	V644 S648	V644-T646 PolarHBondContact O-N 3.36Å; T646-S648 PolarHBondContact O-N 3.05Å; T646-S648 VanDerWaalsContact O-N 3.17Å
647	F	43.1	Very low	48.9	Very low	204 Å²	204	135.7 Å²	135.7	90%	0.895	74%	0.744	S	S	*	*			trans	-57.7	119	165.4	-73.9	-98.2	0	0	0	108.5	P645 E649	P645-F647 PolarHBondContact O-N 3.17Å; F647-E649 PolarHBondContact O-N 3.06Å
648	S	49.9	Very low	49.8	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	73%	0.728	S	S	*	*			trans	-79	115.2	171.9	46.2	0	0	0	0	109	T646 D650	T646-S648 PolarHBondContact O-N 3.05Å; T646-S648 VanDerWaalsContact O-N 3.17Å; S648-D650 PolarHBondContact O-N 2.94Å
649	E	48.6	Very low	50.4	Low	191 Å²	191	133 Å²	133	89%	0.893	70%	0.704	S	S	*	*			trans	-69.8	78.3	162.9	-66	173.9	133.3	0	0	108.1	F647 E651	F647-E649 PolarHBondContact O-N 3.06Å; E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 2.99Å
650	D	50.1	Low	51.4	Low	151 Å²	151	130.6 Å²	130.6	81%	0.807	69%	0.692	S	S	*	*			trans	-87	69.3	177.8	-149.8	32.5	0	0	0	109	S648	S648-D650 PolarHBondContact O-N 2.94Å
651	E	57.5	Low	52.2	Low	171 Å²	171	135.9 Å²	135.9	80%	0.799	70%	0.703	S	S	*	*			trans	-75.2	157.4	170.5	-67.2	-92.3	119	0	0	110.3	E649	E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 2.99Å
652	E	53.8	Low	52.9	Low	198 Å²	198	135.1 Å²	135.1	93%	0.925	69%	0.693	S	S	*	*	S	Bend	trans	95	15.2	176.5	-55	-169.9	-162.4	0	0	119.8
653	E	49.3	Very low	53	Low	187 Å²	187	133.4 Å²	133.4	87%	0.874	69%	0.687	S	S	*	*			trans	-151.5	86.9	140.8	-137.2	163.1	-158.7	0	0	112.7	D655	E653-D655 PolarHBondContact O-N 2.91Å
654	L	50.9	Low	53.4	Low	139 Å²	139	131.7 Å²	131.7	73%	0.728	68%	0.683	S	S	*	*			trans	-72.1	92	175.2	-178.2	64.6	0	0	0	109.9	Q656 V659	L654-Q656 PolarHBondContact O-N 3.01Å; L654-V659 HydrophobicContact CD1-CG2 4.34Å; L654-V659 HydrophobicContact CD2-CG2 3.85Å; L654-V659 HydrophobicContact CG-CG2 3.89Å
655	D	55.2	Low	53.3	Low	90 Å²	90	133.4 Å²	133.4	48%	0.481	69%	0.688	S	S	.	*			trans	-54.1	119.7	-178	-166.5	-15.1	0	0	0	110.9	E653 S657 I658 V659	E653-D655 PolarHBondContact O-N 2.91Å; D655-S657 PolarHBondContact O-N 3.39Å; D655-S657 VanDerWaalsContact OD1-CB 3.28Å; D655-S657 WeakPolarHBondContact OD1-CB 3.47Å; D655-S657 PolarHBondContact OD1-N 2.73Å; D655-S657 VanDerWaalsContact OD1-N 3.14Å; D655-I658 HydrophobicContact CB-CD1 4.11Å; D655-I658 HydrophobicContact CB-CG1 4.2Å; D655-I658 PolarHBondContact O-N 2.96Å; D655-V659 PolarHBondContact O-N 3.45Å
656	Q	62.8	Low	53.3	Low	130 Å²	130	136.9 Å²	136.9	61%	0.607	69%	0.693	S	S	*	*	H	α-helix	trans	-59.6	-21.9	-178.3	-156.6	77.4	76.6	0	0	111.5	L654 N660	L654-Q656 PolarHBondContact O-N 3.01Å; Q656-N660 WeakPolarHBondContact O-CB 3.47Å; Q656-N660 VanDerWaalsContact O-CG 3.3Å; Q656-N660 PolarHBondContact O-N 3.33Å; Q656-N660 PolarHBondContact O-ND2 3.36Å
657	S	65.1	Low	53.3	Low	69 Å²	69	134.4 Å²	134.4	48%	0.483	69%	0.694	S	S	.	*	H	α-helix	trans	-59.2	-45	169.5	-168.3	0	0	0	0	112.8	D655 N660 Q661	D655-S657 PolarHBondContact O-N 3.39Å; D655-S657 VanDerWaalsContact OD1-CB 3.28Å; D655-S657 WeakPolarHBondContact OD1-CB 3.47Å; D655-S657 PolarHBondContact OD1-N 2.73Å; D655-S657 VanDerWaalsContact OD1-N 3.14Å; S657-N660 CarbonylContact O-C 3.48Å; S657-N660 PolarHBondContact O-N 3.39Å; S657-Q661 WeakPolarHBondContact O-CB 3.33Å; S657-Q661 PolarHBondContact O-N 3.48Å
658	I	58.8	Low	53.5	Low	84 Å²	84	129.5 Å²	129.5	43%	0.431	69%	0.685	S	S	.	*	H	α-helix	trans	-71.4	-39	-178.2	-60.6	173.2	0	0	0	110.5	D655 N660 Q661 L662	D655-I658 HydrophobicContact CB-CD1 4.11Å; D655-I658 HydrophobicContact CB-CG1 4.2Å; D655-I658 PolarHBondContact O-N 2.96Å; I658-N660 VanDerWaalsContact C-N 3.3Å; I658-N660 PolarHBondContact O-N 3.11Å; I658-Q661 CarbonylContact O-C 3.53Å; I658-Q661 PolarHBondContact O-N 3.34Å; I658-Q661 VanDerWaalsContact O-N 3.11Å; I658-L662 HydrophobicContact CG2-CD1 4.08Å; I658-L662 WeakPolarHBondContact O-CG 3.5Å; I658-L662 PolarHBondContact O-N 3.31Å
659	V	57.7	Low	53.4	Low	45 Å²	45	129.9 Å²	129.9	27%	0.273	69%	0.686	S	S	.	*	H	α-helix	trans	-59.6	-43.3	172.5	-177.8	0	0	0	0	110.6	L654 D655 Q661 L662 H663	L654-V659 HydrophobicContact CD1-CG2 4.34Å; L654-V659 HydrophobicContact CD2-CG2 3.85Å; L654-V659 HydrophobicContact CG-CG2 3.89Å; D655-V659 PolarHBondContact O-N 3.45Å; V659-Q661 VanDerWaalsContact C-N 3.3Å; V659-Q661 PolarHBondContact O-N 3.34Å; V659-L662 PolarHBondContact O-N 3.07Å; V659-H663 PolarHBondContact O-N 3.34Å
660	N	63.2	Low	53.2	Low	98 Å²	98	129.1 Å²	129.1	52%	0.524	69%	0.687	S	S	.	*	H	α-helix	trans	-69.9	-23.3	176	-73.2	-28.8	0	0	0	113.9	Q656 S657 I658 H663	Q656-N660 WeakPolarHBondContact O-CB 3.47Å; Q656-N660 VanDerWaalsContact O-CG 3.3Å; Q656-N660 PolarHBondContact O-N 3.33Å; Q656-N660 PolarHBondContact O-ND2 3.36Å; S657-N660 CarbonylContact O-C 3.48Å; S657-N660 PolarHBondContact O-N 3.39Å; I658-N660 VanDerWaalsContact C-N 3.3Å; I658-N660 PolarHBondContact O-N 3.11Å; N660-H663 PolarHBondContact OD1-ND1 3Å
661	Q	56.7	Low	52.8	Low	163 Å²	163	134.7 Å²	134.7	76%	0.762	71%	0.709	S	S	*	*	H	α-helix	trans	-87.9	-13.2	176.4	-166.7	156.2	65.9	0	0	113.1	S657 I658 V659	S657-Q661 WeakPolarHBondContact O-CB 3.33Å; S657-Q661 PolarHBondContact O-N 3.48Å; I658-Q661 CarbonylContact O-C 3.53Å; I658-Q661 PolarHBondContact O-N 3.34Å; I658-Q661 VanDerWaalsContact O-N 3.11Å; V659-Q661 VanDerWaalsContact C-N 3.3Å; V659-Q661 PolarHBondContact O-N 3.34Å
662	L	55.9	Low	52.6	Low	135 Å²	135	132.9 Å²	132.9	71%	0.707	70%	0.704	S	S	*	*	S	Bend	trans	-98.6	-0.1	170.2	-68.5	173.6	0	0	0	113.3	I658 V659 L664	I658-L662 HydrophobicContact CG2-CD1 4.08Å; I658-L662 WeakPolarHBondContact O-CG 3.5Å; I658-L662 PolarHBondContact O-N 3.31Å; V659-L662 PolarHBondContact O-N 3.07Å; L662-L664 PolarHBondContact O-N 3.24Å
663	H	50.1	Low	52.5	Low	129 Å²	129	129.4 Å²	129.4	60%	0.597	69%	0.692	S	S	*	*			trans	-68.1	92.9	163.8	-77.6	139.7	0	0	0	110	V659 N660 D665	V659-H663 PolarHBondContact O-N 3.34Å; N660-H663 PolarHBondContact OD1-ND1 3Å; H663-D665 PolarHBondContact O-N 2.88Å
664	L	48.8	Very low	52.7	Low	138 Å²	138	126.2 Å²	126.2	72%	0.723	68%	0.682	S	S	*	*			trans	-66.9	123.1	164.2	-73.7	168.1	0	0	0	109.4	L662 F666	L662-L664 PolarHBondContact O-N 3.24Å; L664-F666 HydrophobicContact CB-CD2 4.16Å; L664-F666 HydrophobicContact CB-CE2 3.76Å; L664-F666 HydrophobicContact CB-CZ 4.46Å; L664-F666 HydrophobicContact CD1-CE2 4.39Å; L664-F666 WeakPolarHBondContact O-CD2 3.46Å; L664-F666 PolarHBondContact O-N 3.49Å
665	D	44.8	Very low	52.8	Low	152 Å²	152	125.5 Å²	125.5	81%	0.813	68%	0.68	S	S	*	*			trans	-68.3	86.8	177.2	-92.9	-44.9	0	0	0	111.8	H663 G667	H663-D665 PolarHBondContact O-N 2.88Å; D665-G667 PolarHBondContact O-N 3.34Å
666	F	48.4	Very low	52.6	Low	171 Å²	171	127.7 Å²	127.7	75%	0.75	69%	0.692	S	S	*	*			trans	-76.7	4	166	-71.6	-77.7	0	0	0	113.1	L664 S668	L664-F666 HydrophobicContact CB-CD2 4.16Å; L664-F666 HydrophobicContact CB-CE2 3.76Å; L664-F666 HydrophobicContact CB-CZ 4.46Å; L664-F666 HydrophobicContact CD1-CE2 4.39Å; L664-F666 WeakPolarHBondContact O-CD2 3.46Å; L664-F666 PolarHBondContact O-N 3.49Å; F666-S668 PolarHBondContact O-N 3.42Å
667	G	48.1	Very low	51.9	Low	78 Å²	78	127.5 Å²	127.5	80%	0.804	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	13.2	-174.9	0	0	0	0	0	116.8	D665	D665-G667 PolarHBondContact O-N 3.34Å
668	S	48.1	Very low	51	Low	101 Å²	101	131.7 Å²	131.7	71%	0.706	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-2.1	-173.2	55.9	0	0	0	0	115.2	F666	F666-S668 PolarHBondContact O-N 3.42Å
669	C	47	Very low	50.4	Low	108 Å²	108	135.4 Å²	135.4	73%	0.73	74%	0.735	S	S	*	*	S	Bend	trans	-110	10.9	-175	-67.7	0	0	0	0	115.2
670	L	44.8	Very low	49.8	Very low	174 Å²	174	142.9 Å²	142.9	91%	0.911	77%	0.773	S	S	*	*			trans	-137.8	99.8	174.5	-77.4	172.3	0	0	0	110.8
671	Q	41.8	Very low	48.6	Very low	268 Å²	268	147 Å²	147	100%	1.252	80%	0.796	S	S	*	*			trans	-142.9	0	166.8	-178.7	165.2	54.5	0	0	109.7

Retrieved 671 of 671 residues in 661.3 ms (Link to these results)

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