A0A087XST9_POEFO Loading...

TCDD inducible poly(ADP-ribose) polymerase

AlphaFold DB , UniProt , Accession A0A087XST9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	31.6	Very low	251 Å²	251	156.6 Å²	156.6	100%	1.236	82%	0.822	S	S	*	*				0	126.5	0	-59.9	161.2	177.8	0	0	107.1
2	G	31.8	Very low	31.5	Very low	72 Å²	72	151.5 Å²	151.5	74%	0.742	82%	0.819	S	S	*	*			cis	166.6	122.3	-13.7	0	0	0	0	0	113
3	K	33.5	Very low	31.2	Very low	208 Å²	208	155.2 Å²	155.2	90%	0.904	83%	0.828	S	S	*	*			trans	75.6	114.1	175.8	-55.7	-176.4	179.5	-178.2	0	115.7
4	T	37.4	Very low	31.1	Very low	121 Å²	121	161.4 Å²	161.4	74%	0.742	83%	0.834	S	S	*	*			cis	100.5	98	11.5	-44.9	0	0	0	0	116
5	L	36.9	Very low	31.6	Very low	139 Å²	139	159.8 Å²	159.8	73%	0.728	83%	0.834	S	S	*	*			trans	78.3	142.1	138.8	-63.9	176.6	0	0	0	126
6	H	32.5	Very low	32.6	Very low	148 Å²	148	156.2 Å²	156.2	69%	0.685	82%	0.823	S	S	*	*			trans	66.4	121	136.7	-71.9	-40.4	0	0	0	125.9
7	I	32.4	Very low	32.6	Very low	140 Å²	140	155 Å²	155	72%	0.718	82%	0.824	S	S	*	*				41	125.1	116	-55.5	173.1	0	0	0	119.1
8	L	28.1	Very low	32.3	Very low	151 Å²	151	150.8 Å²	150.8	79%	0.791	82%	0.815	S	S	*	*				-167.7	165	129.7	-106.1	168.6	0	0	0	115.2
9	Q	27.3	Very low	32.1	Very low	172 Å²	172	150.9 Å²	150.9	80%	0.804	81%	0.813	S	S	*	*			trans	-55.6	160.6	-168	-62.1	156.1	-47.3	0	0	119.6
10	K	27.4	Very low	31.7	Very low	209 Å²	209	148.5 Å²	148.5	91%	0.909	81%	0.808	S	S	*	*				-157.2	172.4	118	-122.5	179.9	-179.6	-177.1	0	113.8
11	S	26.4	Very low	31.5	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	81%	0.813	S	S	*	*			trans	-156.9	-178.6	-167.4	58.6	0	0	0	0	113.5
12	A	30.9	Very low	31.2	Very low	95 Å²	95	144.6 Å²	144.6	79%	0.785	79%	0.791	S	S	*	*			trans	82.2	152.9	-177	0	0	0	0	0	114.5
13	E	27.3	Very low	31	Very low	200 Å²	200	147.5 Å²	147.5	94%	0.935	79%	0.794	S	S	*	*			cis	-122.5	-160.8	19.1	-62	-169.3	111.9	0	0	115.8
14	R	30.7	Very low	30.7	Very low	242 Å²	242	142.4 Å²	142.4	91%	0.913	78%	0.784	S	S	*	*			trans	-116.7	157	-158.6	-84.8	-176.6	171.8	-179.7	-2.5	115.7
15	V	37.7	Very low	30.1	Very low	137 Å²	137	144.8 Å²	144.8	83%	0.83	79%	0.792	S	S	*	*			trans	-94.7	151.7	155.4	179.9	0	0	0	0	110
16	P	47.3	Very low	29.7	Very low	102 Å²	102	145.5 Å²	145.5	66%	0.662	80%	0.796	S	S	*	*			trans	-120.9	124.8	168.7	35.9	-23	0	0	0	115.8
17	T	32.8	Very low	29.4	Very low	136 Å²	136	146.2 Å²	146.2	83%	0.834	80%	0.802	S	S	*	*			trans	65	155.4	149.4	44.8	0	0	0	0	119.9
18	A	27.1	Very low	29.2	Very low	80 Å²	80	145.4 Å²	145.4	66%	0.661	80%	0.799	S	S	*	*			cis	-135.8	139.2	12.6	0	0	0	0	0	112.6
19	I	28.5	Very low	29.3	Very low	153 Å²	153	146.3 Å²	146.3	79%	0.785	80%	0.799	S	S	*	*				59.4	101.3	108.2	-54.1	173.5	0	0	0	112.7
20	S	25.1	Very low	29.3	Very low	102 Å²	102	142.4 Å²	142.4	71%	0.713	80%	0.796	S	S	*	*				81.5	117.9	54.4	-172.4	0	0	0	0	114.7
21	L	27.7	Very low	29.2	Very low	174 Å²	174	141.6 Å²	141.6	91%	0.911	80%	0.795	S	S	*	*				-164	169.7	121.7	-104.1	167.2	0	0	0	111
22	D	25.9	Very low	29.3	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	79%	0.79	S	S	*	*			trans	-123	-177	-165	-170	14.9	0	0	0	111.4
23	V	27.6	Very low	29.1	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	79%	0.788	S	S	*	*			trans	125.8	120.7	161	175	0	0	0	0	114.2
24	S	27.5	Very low	29	Very low	100 Å²	100	141.9 Å²	141.9	70%	0.699	78%	0.778	S	S	*	*			trans	-92.6	152.7	177.4	-38.4	0	0	0	0	113.5
25	L	25.9	Very low	28.8	Very low	172 Å²	172	138.7 Å²	138.7	90%	0.901	77%	0.774	S	S	*	*			trans	-143.5	161.3	151.6	-77.8	-176.4	0	0	0	110.4
26	N	27.4	Very low	28.3	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	78%	0.777	S	S	*	*			trans	-124.4	161.9	-179.8	-80.1	-29.2	0	0	0	110.7
27	M	27.3	Very low	27.4	Very low	162 Å²	162	141.4 Å²	141.4	80%	0.798	78%	0.778	S	S	*	*			trans	73.5	151.6	170.9	-49.1	-170.1	66.1	0	0	113.8
28	D	27.8	Very low	27.1	Very low	124 Å²	124	143.1 Å²	143.1	66%	0.663	78%	0.78	S	S	*	*			cis	-148.3	178.8	16	-129.6	-26	0	0	0	115.6
29	E	29.4	Very low	27.2	Very low	170 Å²	170	145.6 Å²	145.6	79%	0.794	79%	0.786	S	S	*	*			trans	11.1	129.6	163.6	-55.9	-154.5	110	0	0	125.3
30	A	26.8	Very low	27.2	Very low	90 Å²	90	141.3 Å²	141.3	74%	0.744	78%	0.78	S	S	*	*				74.5	160.3	122	0	0	0	0	0	125.5
31	E	27.1	Very low	27.5	Very low	191 Å²	191	144.7 Å²	144.7	89%	0.893	79%	0.789	S	S	*	*			trans	70.2	149.8	174.1	-58	-167.6	164.9	0	0	120.6
32	D	27.4	Very low	27.8	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	78%	0.775	S	S	*	*				-161.8	165	-54.6	-155.2	-8.6	0	0	0	109.9
33	F	25.8	Very low	28.5	Very low	169 Å²	169	140.5 Å²	140.5	74%	0.741	78%	0.775	S	S	*	*			trans	59.5	139.6	167.3	-76.3	-87.8	0	0	0	118.5
34	T	25.2	Very low	29	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.724	77%	0.773	S	S	*	*			cis	-160.1	-173	-10.4	-8.6	0	0	0	0	111.4
35	E	27.7	Very low	29.7	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	75%	0.749	S	S	*	*			trans	90.1	78.5	158.7	-54.4	-142.4	134.3	0	0	120.7
36	Q	27.9	Very low	30.4	Very low	193 Å²	193	136.3 Å²	136.3	90%	0.902	74%	0.738	S	S	*	*				61.2	157.4	122.9	-68.8	-152.7	18.4	0	0	122.5
37	P	28.3	Very low	31.2	Very low	104 Å²	104	134.4 Å²	134.4	68%	0.675	73%	0.727	S	S	*	*			trans	-109.7	150.4	-148.7	39.3	-32.8	0	0	0	116.5
38	I	26.5	Very low	31.9	Very low	171 Å²	171	130.1 Å²	130.1	88%	0.877	71%	0.71	S	S	*	*			trans	-101.7	119.5	154.3	-61.8	177.3	0	0	0	107.9	G40	I38-G40 PolarHBondContact O-N 3.49Å; I38-G40 VanDerWaalsContact O-N 3.14Å
39	V	28.8	Very low	32.2	Very low	132 Å²	132	131.1 Å²	131.1	80%	0.8	71%	0.708	S	S	*	*			trans	-77.6	100.3	-177.8	179.6	0	0	0	0	110.3
40	G	27.8	Very low	32.3	Very low	64 Å²	64	126 Å²	126	66%	0.66	69%	0.689	S	S	*	*			trans	-69.1	139.1	173.2	0	0	0	0	0	112.9	I38	I38-G40 PolarHBondContact O-N 3.49Å; I38-G40 VanDerWaalsContact O-N 3.14Å
41	L	31	Very low	32.4	Very low	173 Å²	173	132 Å²	132	91%	0.906	69%	0.694	S	S	*	*			trans	-66	141.1	172.1	-70.5	165.2	0	0	0	110.7
42	S	34.8	Very low	32.7	Very low	88 Å²	88	131.3 Å²	131.3	62%	0.615	69%	0.689	S	S	*	*			trans	-97.9	109.8	-179.3	-176.1	0	0	0	0	111.6	K44	S42-K44 PolarHBondContact O-N 2.88Å
43	D	40.2	Very low	32.8	Very low	142 Å²	142	136.4 Å²	136.4	76%	0.759	70%	0.698	S	S	*	*			trans	-67.1	17.4	178.9	-72.3	-38.1	0	0	0	115.2
44	K	38.2	Very low	32.9	Very low	174 Å²	174	137.3 Å²	137.3	76%	0.757	70%	0.702	S	S	*	*			trans	-119.6	94.1	-167.5	-66	178.8	-176.6	171.4	0	112.2	S42	S42-K44 PolarHBondContact O-N 2.88Å
45	I	42.1	Very low	33.1	Very low	39 Å²	39	140.6 Å²	140.6	20%	0.2	71%	0.707	C	S	.	*			trans	-63.6	129.1	161.4	-56.3	179.1	0	0	0	108.2	L395 E398 A399 L404	I45-L395 HydrophobicContact CG2-CD2 3.96Å; I45-E398 HydrophobicContact CD1-CG 4.24Å; I45-A399 HydrophobicContact CD1-CB 4.12Å; I45-L404 HydrophobicContact CD1-CD1 3.6Å; I45-L404 HydrophobicContact CG1-CD1 4.1Å
46	P	41.2	Very low	33.2	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	71%	0.709	S	S	*	*			trans	-70.3	144.3	-178.2	27.5	-34.6	0	0	0	112.9	V48	P46-V48 PolarHBondContact O-N 2.66Å
47	L	44.1	Very low	33.3	Very low	115 Å²	115	142.6 Å²	142.6	60%	0.602	71%	0.706	S	S	*	*			trans	-68.2	97.9	179.3	-80.3	162.4	0	0	0	112.2	K49 R408	L47-K49 PolarHBondContact O-N 2.82Å; L47-R408 HydrophobicContact CD2-CB 4.24Å; L47-R408 WeakPolarHBondContact CD2-O 3.21Å
48	V	42.4	Very low	33.5	Very low	71 Å²	71	147.9 Å²	147.9	43%	0.43	72%	0.719	S	S	.	*			trans	-70.6	119.6	176.4	-177.9	0	0	0	0	111.1	P46 L395	P46-V48 PolarHBondContact O-N 2.66Å; V48-L395 HydrophobicContact CB-CD1 4.35Å; V48-L395 HydrophobicContact CG2-CD1 4.48Å; V48-L395 HydrophobicContact CG2-CD2 4.13Å
49	K	34.2	Very low	33.8	Very low	146 Å²	146	148 Å²	148	64%	0.635	72%	0.72	S	S	*	*			trans	-95.4	114.2	168.4	-69	179.9	-179.2	174.9	0	109.9	L47 Y51	L47-K49 PolarHBondContact O-N 2.82Å; K49-Y51 PolarHBondContact O-N 2.82Å
50	P	30.6	Very low	33.8	Very low	61 Å²	61	148.3 Å²	148.3	40%	0.396	72%	0.717	S	S	.	*			trans	-70.2	102.9	176.6	27	-32.9	0	0	0	111.3	F52 I410	P50-F52 PolarHBondContact O-N 2.66Å; P50-I410 WeakPolarHBondContact CD-O 3.19Å
51	Y	30.2	Very low	34.1	Very low	217 Å²	217	153.4 Å²	153.4	85%	0.851	72%	0.724	S	S	*	*			trans	-76	88.5	-177.1	-107	-85.3	0	0	0	112.8	K49 R53	K49-Y51 PolarHBondContact O-N 2.82Å; Y51-R53 PolarHBondContact O-N 2.76Å
52	F	33.7	Very low	34.2	Very low	176 Å²	176	154.7 Å²	154.7	77%	0.772	72%	0.722	S	S	*	*			trans	-72.7	113.9	163.6	-75.8	-85.5	0	0	0	110.3	P50 K54	P50-F52 PolarHBondContact O-N 2.66Å; F52-K54 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 2.94Å
53	R	27.7	Very low	33.9	Very low	234 Å²	234	155.5 Å²	155.5	88%	0.883	73%	0.726	S	S	*	*			trans	-67.3	85	175.2	-84.1	-175.3	164.9	-177.9	-3.9	111.6	Y51 K55	Y51-R53 PolarHBondContact O-N 2.76Å; R53-K55 PolarHBondContact O-N 2.82Å
54	K	29.2	Very low	33.4	Very low	189 Å²	189	155.9 Å²	155.9	82%	0.822	73%	0.728	S	S	*	*			trans	-64.6	94.7	163.6	-78.9	-171.4	175.2	-177.4	0	110.2	F52 Q56	F52-K54 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 2.94Å; K54-Q56 VanDerWaalsContact C-N 3.34Å; K54-Q56 PolarHBondContact O-N 3.35Å; K54-Q56 VanDerWaalsContact O-N 3.09Å
55	K	28	Very low	33.2	Very low	187 Å²	187	156.3 Å²	156.3	81%	0.813	73%	0.732	S	S	*	*			trans	-74.7	87.4	161.1	-82.6	-175	174.9	176.6	0	109.2	R53 R57	R53-K55 PolarHBondContact O-N 2.82Å; K55-R57 PolarHBondContact O-N 3.27Å
56	Q	30.9	Very low	32.6	Very low	185 Å²	185	165.7 Å²	165.7	86%	0.864	77%	0.765	S	S	*	*			trans	-68.7	120.8	156.8	-82.6	179.3	-58.3	0	0	108.5	K54	K54-Q56 VanDerWaalsContact C-N 3.34Å; K54-Q56 PolarHBondContact O-N 3.35Å; K54-Q56 VanDerWaalsContact O-N 3.09Å
57	R	30.1	Very low	32.1	Very low	224 Å²	224	165.6 Å²	165.6	85%	0.845	77%	0.767	S	S	*	*			trans	-121.4	130.8	156.9	-82.3	-174.8	165.2	-178	-6.7	107	K55 L59	K55-R57 PolarHBondContact O-N 3.27Å; R57-L59 PolarHBondContact O-N 2.87Å
58	K	33	Very low	31.4	Very low	215 Å²	215	168.1 Å²	168.1	94%	0.935	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-59.3	131.8	160.7	-80.3	-177	171.4	-178.1	0	107.3
59	L	30.9	Very low	30.8	Very low	174 Å²	174	171.6 Å²	171.6	91%	0.911	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.6	124	171	-82.4	160.2	0	0	0	108.4	R57	R57-L59 PolarHBondContact O-N 2.87Å
60	D	29.3	Very low	30.8	Very low	137 Å²	137	169.7 Å²	169.7	73%	0.733	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-98.8	141.5	168.8	-177.5	22.1	0	0	0	109.2	K62	D60-K62 PolarHBondContact O-N 3.22Å
61	H	33.7	Very low	30.9	Very low	172 Å²	172	171.1 Å²	171.1	80%	0.796	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	26.2	-152.3	-148	-67	0	0	0	114.5
62	K	33.1	Very low	30.8	Very low	199 Å²	199	168.2 Å²	168.2	87%	0.865	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	9.3	-173.9	-72.7	-172.8	175.3	178.6	0	115.8	D60	D60-K62 PolarHBondContact O-N 3.22Å
63	C	30.3	Very low	30.8	Very low	105 Å²	105	166.1 Å²	166.1	71%	0.709	80%	0.802	S	S	*	*			trans	-121.4	61.4	179.7	-158	0	0	0	0	113
64	L	29.4	Very low	31.2	Very low	151 Å²	151	157.9 Å²	157.9	79%	0.791	78%	0.78	S	S	*	*			trans	-121	13.3	-176.3	-95.1	170.8	0	0	0	115.2
65	Q	33	Very low	31.3	Very low	183 Å²	183	152.6 Å²	152.6	86%	0.855	76%	0.761	S	S	*	*	S	Bend	trans	-112.8	-5.4	-175.5	-147.5	72.5	35	0	0	115.2
66	R	30.3	Very low	31.5	Very low	236 Å²	236	149.9 Å²	149.9	89%	0.891	75%	0.754	S	S	*	*	S	Bend	trans	-149.6	64.9	-174.1	-70.1	-169.5	175.9	170.4	-1.2	115
67	S	29.8	Very low	31.8	Very low	101 Å²	101	144.8 Å²	144.8	71%	0.706	74%	0.74	S	S	*	*			trans	-172.2	86.6	157.7	50.3	0	0	0	0	112.3
68	L	30.1	Very low	32.2	Very low	167 Å²	167	136.7 Å²	136.7	87%	0.874	72%	0.715	S	S	*	*			trans	-141.4	92.3	168.8	-77.7	177.1	0	0	0	110.2
69	D	30	Very low	32.4	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	69%	0.694	S	S	*	*			trans	-121.7	91.8	170.4	-85.5	-54.1	0	0	0	110.8
70	P	32.5	Very low	32.4	Very low	105 Å²	105	127.6 Å²	127.6	68%	0.682	68%	0.682	S	S	*	*			trans	-101.4	41	173.8	38.8	-33.2	0	0	0	112.1
71	I	33.7	Very low	32.9	Very low	91 Å²	91	125.5 Å²	125.5	47%	0.467	67%	0.67	S	S	.	*			trans	-89	-27.9	-163.9	-67.3	178.5	0	0	0	114.1	T73 L75	I71-T73 PolarHBondContact O-N 3.26Å; I71-L75 HydrophobicContact CG2-CD1 3.58Å; I71-L75 HydrophobicContact CG2-CG 4.38Å
72	L	28.8	Very low	33.1	Very low	156 Å²	156	121.4 Å²	121.4	82%	0.817	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-8.8	-166.8	-75.4	172.2	0	0	0	116.7
73	T	33	Very low	33.2	Very low	132 Å²	132	115.9 Å²	115.9	81%	0.81	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-12.6	176.3	28	0	0	0	0	114.6	I71	I71-T73 PolarHBondContact O-N 3.26Å
74	S	35.9	Very low	33.3	Very low	61 Å²	61	113.2 Å²	113.2	43%	0.427	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.7	-21.1	-178.9	-164.8	0	0	0	0	114.5	L76 L569	S74-L76 PolarHBondContact O-N 2.93Å; S74-L569 WeakPolarHBondContact OG-CD2 3.4Å
75	L	31.5	Very low	33.6	Very low	78 Å²	78	111.3 Å²	111.3	41%	0.408	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-1.4	-166.7	-72.7	174.1	0	0	0	116	I71 M565	I71-L75 HydrophobicContact CG2-CD1 3.58Å; I71-L75 HydrophobicContact CG2-CG 4.38Å; L75-M565 HydrophobicContact CD2-CE 4.24Å; L75-M565 HydrophobicContact CD2-SD 3.7Å
76	L	32.8	Very low	33.7	Very low	130 Å²	130	106.2 Å²	106.2	68%	0.681	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	29.2	-177.3	-66.6	175.9	0	0	0	113.4	S74	S74-L76 PolarHBondContact O-N 2.93Å
77	S	35.9	Very low	33.9	Very low	79 Å²	79	100.4 Å²	100.4	55%	0.552	61%	0.611	S	S	*	*	S	Bend	trans	-126.5	7.6	-175.1	-75.9	0	0	0	0	116.8
78	T	40.3	Very low	33.9	Very low	54 Å²	54	105.1 Å²	105.1	33%	0.331	62%	0.619	S	S	.	*	S	Bend	trans	-128.1	-70.5	175	37.7	0	0	0	0	114.1
79	D	36.7	Very low	33.9	Very low	91 Å²	91	103.4 Å²	103.4	49%	0.487	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.8	45.9	-152.5	-60.1	-62.3	0	0	0	117.5	S83 L568	D79-S83 PolarHBondContact O-OG 2.74Å; D79-L568 WeakPolarHBondContact OD2-CD2 3.29Å
80	T	31.4	Very low	33.7	Very low	107 Å²	107	102.3 Å²	102.3	66%	0.656	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	-5.1	160.6	53.5	0	0	0	0	113.9	R516	T80-R516 PolarHBondContact O-NH2 3.36Å
81	L	38.1	Very low	33.5	Very low	92 Å²	92	109.2 Å²	109.2	48%	0.482	63%	0.628	S	S	.	*	S	Bend	trans	-115	-7.4	-175.5	-64.8	-178.9	0	0	0	115.4	R516	L81-R516 WeakPolarHBondContact O-CD 3.3Å; L81-R516 PolarHBondContact O-NE 2.92Å; L81-R516 VanDerWaalsContact O-NE 3.13Å; L81-R516 PolarHBondContact O-NH1 2.91Å
82	V	39.3	Very low	33.1	Very low	86 Å²	86	109.3 Å²	109.3	52%	0.521	64%	0.638	S	S	.	*			trans	-138.4	33.7	175.5	-154.2	0	0	0	0	112.9	G84	V82-G84 PolarHBondContact O-N 3.39Å
83	S	34.4	Very low	33.1	Very low	84 Å²	84	110.4 Å²	110.4	59%	0.587	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	69.7	170.1	-46	0	0	0	0	110.3	D79	D79-S83 PolarHBondContact O-OG 2.74Å
84	G	31.4	Very low	33.4	Very low	49 Å²	49	109.9 Å²	109.9	51%	0.505	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	-43.9	171.5	0	0	0	0	0	112.2	V82 G86	V82-G84 PolarHBondContact O-N 3.39Å; G84-G86 VanDerWaalsContact C-N 3.31Å; G84-G86 PolarHBondContact O-N 2.93Å
85	D	36.5	Very low	32.9	Very low	111 Å²	111	110.9 Å²	110.9	59%	0.594	66%	0.657	S	S	*	*	S	Bend	trans	-69.2	81	179.5	-56.6	-4	0	0	0	110.7	V87	D85-V87 PolarHBondContact O-N 3.32Å
86	G	35.3	Very low	32.7	Very low	75 Å²	75	119 Å²	119	77%	0.773	68%	0.682	S	S	*	*			trans	-68.9	112.4	-168.8	0	0	0	0	0	114.6	G84	G84-G86 VanDerWaalsContact C-N 3.31Å; G84-G86 PolarHBondContact O-N 2.93Å
87	V	34.1	Very low	32.5	Very low	114 Å²	114	119 Å²	119	69%	0.691	69%	0.688	S	S	*	*			trans	-131.6	104.2	179.9	177.9	0	0	0	0	111.2	D85	D85-V87 PolarHBondContact O-N 3.32Å
88	F	30	Very low	32.9	Very low	200 Å²	200	121.4 Å²	121.4	88%	0.877	70%	0.702	S	S	*	*			trans	72.2	123.3	174.1	-59.8	-62.2	0	0	0	120.3
89	V	30	Very low	32.2	Very low	131 Å²	131	122.6 Å²	122.6	79%	0.794	73%	0.725	S	S	*	*			trans	-95.6	130.7	160.6	175.5	0	0	0	0	108.7	R91	V89-R91 PolarHBondContact O-N 3.08Å; V89-R91 VanDerWaalsContact O-N 3.09Å
90	P	27.2	Very low	31.8	Very low	123 Å²	123	124.4 Å²	124.4	80%	0.799	74%	0.739	S	S	*	*			trans	-67.4	105.6	172.6	-20.6	33.5	0	0	0	111.6	S92	P90-S92 PolarHBondContact O-N 3.02Å
91	R	26.2	Very low	31.7	Very low	249 Å²	249	126.8 Å²	126.8	94%	0.94	75%	0.747	S	S	*	*			trans	-73	123.8	174.4	-165.2	-179.5	-169.2	-175.6	4.4	109.7	V89	V89-R91 PolarHBondContact O-N 3.08Å; V89-R91 VanDerWaalsContact O-N 3.09Å
92	S	26	Very low	31.1	Very low	94 Å²	94	128.8 Å²	128.8	66%	0.657	77%	0.767	S	S	*	*			trans	-95.7	165	-173.1	56.8	0	0	0	0	114	P90	P90-S92 PolarHBondContact O-N 3.02Å
93	Q	28.2	Very low	30.5	Very low	179 Å²	179	129.6 Å²	129.6	84%	0.836	78%	0.783	S	S	*	*			trans	77	160	169.3	-50.9	-169.4	11.6	0	0	118.5
94	P	40	Very low	30.1	Very low	121 Å²	121	130.7 Å²	130.7	79%	0.786	80%	0.797	S	S	*	*			cis	-120.3	162.3	-12.5	17.3	5.9	0	0	0	114.2
95	G	25.9	Very low	29.9	Very low	81 Å²	81	133 Å²	133	84%	0.835	81%	0.811	S	S	*	*			trans	-80.1	-179.3	-168.6	0	0	0	0	0	118.7
96	R	26.4	Very low	29.4	Very low	248 Å²	248	134.2 Å²	134.2	94%	0.936	82%	0.822	S	S	*	*			trans	-146.5	143.1	160.6	-153.1	172.6	-169.1	170.3	3.7	109.3
97	T	28.5	Very low	29	Very low	132 Å²	132	137.1 Å²	137.1	81%	0.81	83%	0.825	S	S	*	*			trans	-113.1	-167.4	-177.2	56.6	0	0	0	0	110.6
98	P	45	Very low	28.8	Very low	129 Å²	129	140.4 Å²	140.4	84%	0.838	83%	0.83	S	S	*	*				-105.2	165.7	-107.7	31	-13.4	0	0	0	114.4
99	G	26.4	Very low	28.7	Very low	79 Å²	79	140.4 Å²	140.4	81%	0.814	83%	0.833	S	S	*	*			trans	-142.2	144.4	176.3	0	0	0	0	0	112.5
100	T	27.5	Very low	28.6	Very low	128 Å²	128	138.9 Å²	138.9	79%	0.785	83%	0.828	S	S	*	*			trans	-107.4	155.2	-167.8	23.1	0	0	0	0	114.2
101	L	28.6	Very low	28.6	Very low	157 Å²	157	139.5 Å²	139.5	82%	0.822	83%	0.833	S	S	*	*			trans	49.9	121.2	147.8	-63.4	167.1	0	0	0	119.5
102	C	26	Very low	28.7	Very low	135 Å²	135	134.6 Å²	134.6	91%	0.912	83%	0.831	S	S	*	*				-171.1	169.4	99.8	-107.5	0	0	0	0	112.1
103	A	27.1	Very low	28.7	Very low	102 Å²	102	133.1 Å²	133.1	84%	0.843	83%	0.831	S	S	*	*			trans	-125.3	159.7	-175.6	0	0	0	0	0	112.3
104	A	25.9	Very low	28.7	Very low	107 Å²	107	133.3 Å²	133.3	88%	0.884	83%	0.831	S	S	*	*			trans	-141.8	144.9	163.6	0	0	0	0	0	109.1
105	A	26.6	Very low	28	Very low	97 Å²	97	133.8 Å²	133.8	80%	0.802	83%	0.832	S	S	*	*			trans	-140.4	143.7	-175.9	0	0	0	0	0	111.2
106	V	26.8	Very low	28	Very low	138 Å²	138	135 Å²	135	84%	0.836	83%	0.827	S	S	*	*			trans	-139.8	106.9	167.9	177.4	0	0	0	0	110.8
107	V	27	Very low	28.1	Very low	136 Å²	136	131 Å²	131	82%	0.824	82%	0.823	S	S	*	*			trans	51.3	135.2	135.4	-173.3	0	0	0	0	121.3
108	K	29.5	Very low	28	Very low	183 Å²	183	133.4 Å²	133.4	80%	0.796	82%	0.822	S	S	*	*			trans	-68.1	161.5	172.1	-52	167.9	176.1	175.1	0	113.1
109	Q	27.9	Very low	27.2	Very low	200 Å²	200	134.2 Å²	134.2	94%	0.935	82%	0.819	S	S	*	*				-151.6	164.9	115	-117	175	8.9	0	0	112.4
110	S	27.8	Very low	28.1	Very low	99 Å²	99	136.1 Å²	136.1	69%	0.692	82%	0.818	S	S	*	*			trans	-147.6	141.6	-165.2	54.7	0	0	0	0	111.5
111	C	27.1	Very low	28.1	Very low	136 Å²	136	133.3 Å²	133.3	92%	0.919	81%	0.814	S	S	*	*			trans	-140.7	160.9	163.6	-99.4	0	0	0	0	111.1
112	V	28.9	Very low	28.2	Very low	145 Å²	145	131 Å²	131	88%	0.879	82%	0.817	S	S	*	*			trans	-140.6	146.8	-162.4	175.7	0	0	0	0	111.1
113	G	26.6	Very low	28.4	Very low	64 Å²	64	128.4 Å²	128.4	66%	0.66	81%	0.805	S	S	*	*			trans	153.6	112.3	172.2	0	0	0	0	0	109.9
114	Q	27	Very low	28.5	Very low	182 Å²	182	131.7 Å²	131.7	85%	0.85	80%	0.803	S	S	*	*			cis	76.8	85.1	49.9	-159.7	172.5	-7.7	0	0	111.4
115	V	26.2	Very low	28.7	Very low	131 Å²	131	132.8 Å²	132.8	79%	0.794	79%	0.794	S	S	*	*				87	104.3	78.9	169.3	0	0	0	0	114.2
116	C	25.1	Very low	28.9	Very low	108 Å²	108	132.6 Å²	132.6	73%	0.73	79%	0.793	S	S	*	*			trans	54.2	124.7	142.1	-156.2	0	0	0	0	121.8
117	L	28	Very low	28.9	Very low	164 Å²	164	130.4 Å²	130.4	86%	0.859	79%	0.789	S	S	*	*				-177.4	-173.3	113.3	-95.2	168.4	0	0	0	113.3
118	K	26.8	Very low	29.1	Very low	181 Å²	181	128.9 Å²	128.9	79%	0.787	79%	0.791	S	S	*	*			trans	-94.8	155.7	-164.2	-69.3	179	161.5	-171.5	0	116.3
119	D	28.3	Very low	29	Very low	146 Å²	146	124.5 Å²	124.5	78%	0.781	79%	0.789	S	S	*	*			trans	41.8	166.6	137.3	-82.8	-48.3	0	0	0	122.9
120	P	45.2	Very low	29.1	Very low	120 Å²	120	121.7 Å²	121.7	78%	0.779	79%	0.786	S	S	*	*			cis	-132.5	176.7	-9.5	35.5	-17.9	0	0	0	115.7
121	G	27.6	Very low	29	Very low	68 Å²	68	120.5 Å²	120.5	70%	0.701	79%	0.789	S	S	*	*			trans	124.6	119.2	131.8	0	0	0	0	0	120.8
122	A	30.1	Very low	29.1	Very low	109 Å²	109	121.2 Å²	121.2	90%	0.901	79%	0.789	S	S	*	*			trans	57.8	146.9	144.1	0	0	0	0	0	121
123	A	30.1	Very low	28.9	Very low	80 Å²	80	123.7 Å²	123.7	66%	0.661	79%	0.791	S	S	*	*			cis	-161.2	161.5	-5	0	0	0	0	0	111.7
124	E	30	Very low	28.8	Very low	172 Å²	172	123.4 Å²	123.4	80%	0.804	79%	0.788	S	S	*	*			trans	64.2	151.4	152.1	-75.2	-176.6	-141.9	0	0	120.3
125	N	29.9	Very low	28.8	Very low	129 Å²	129	122.3 Å²	122.3	69%	0.69	79%	0.787	S	S	*	*			cis	-155.8	157.2	-7	-132.5	-36.4	0	0	0	112.5
126	A	30.4	Very low	28.8	Very low	93 Å²	93	123.3 Å²	123.3	77%	0.769	79%	0.785	S	S	*	*			trans	56.8	147	157.8	0	0	0	0	0	121.4
127	A	28.6	Very low	28.9	Very low	92 Å²	92	122.7 Å²	122.7	76%	0.76	78%	0.782	S	S	*	*			cis	-164.6	153.2	-15.8	0	0	0	0	0	111.9
128	A	29.5	Very low	28.9	Very low	105 Å²	105	126.4 Å²	126.4	87%	0.868	78%	0.784	S	S	*	*			trans	59.3	155.8	159.3	0	0	0	0	0	119.6
129	A	29.2	Very low	29	Very low	91 Å²	91	124.9 Å²	124.9	75%	0.752	79%	0.785	S	S	*	*			cis	-166.9	164.3	-31.8	0	0	0	0	0	106.4
130	T	29.2	Very low	29.1	Very low	141 Å²	141	124.2 Å²	124.2	87%	0.865	79%	0.786	S	S	*	*			cis	-145.7	154.5	5.9	-44.8	0	0	0	0	108.2
131	G	25.8	Very low	28.3	Very low	74 Å²	74	126.1 Å²	126.1	76%	0.763	79%	0.79	S	S	*	*			trans	-155.6	137	170.4	0	0	0	0	0	112.6
132	V	28	Very low	28.4	Very low	151 Å²	151	129 Å²	129	92%	0.915	79%	0.793	S	S	*	*			trans	-101.1	139.5	-179.4	179.4	0	0	0	0	110
133	Q	24.8	Very low	28.3	Very low	197 Å²	197	132.4 Å²	132.4	92%	0.921	79%	0.79	S	S	*	*			trans	-148.8	151.2	-172	-158.8	-174.9	47.9	0	0	111.3
134	G	25.7	Very low	28.3	Very low	58 Å²	58	136.8 Å²	136.8	60%	0.598	80%	0.801	S	S	*	*			trans	103.1	127.7	171.4	0	0	0	0	0	114
135	L	27.1	Very low	28.2	Very low	158 Å²	158	132.3 Å²	132.3	83%	0.827	79%	0.793	S	S	*	*				75.5	136.8	61.2	-85.8	65	0	0	0	112.1
136	M	26.1	Very low	28	Very low	152 Å²	152	134.1 Å²	134.1	75%	0.749	80%	0.803	S	S	*	*			cis	-157	168.9	20.6	-126.1	-63.7	131.3	0	0	112.9
137	S	27	Very low	27.9	Very low	96 Å²	96	136.4 Å²	136.4	67%	0.671	81%	0.807	S	S	*	*			trans	62.9	117.5	152.6	-53.7	0	0	0	0	122.2
138	R	28.1	Very low	27.8	Very low	241 Å²	241	139 Å²	139	91%	0.909	81%	0.814	S	S	*	*				-175.5	162.2	94.9	-102.8	-177.7	171.7	158.2	-0.2	113.8
139	D	29.5	Very low	27.7	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	81%	0.812	S	S	*	*			trans	-76.3	164.2	179.7	-41.3	-94.7	0	0	0	113.8
140	V	29.1	Very low	27.7	Very low	131 Å²	131	143.5 Å²	143.5	79%	0.794	82%	0.819	S	S	*	*			trans	-175.1	136	132.8	140.5	0	0	0	0	110.2	V142	V140-V142 HydrophobicContact CG1-CG2 4.13Å
141	D	28.2	Very low	27.6	Very low	161 Å²	161	145.2 Å²	145.2	86%	0.861	82%	0.822	S	S	*	*			trans	-76.5	139	170.9	-65.6	-75.9	0	0	0	112.4
142	V	29.7	Very low	27.8	Very low	128 Å²	128	150.4 Å²	150.4	78%	0.776	83%	0.826	S	S	*	*			trans	-145.3	110.3	161.8	179.8	0	0	0	0	110.5	V140	V140-V142 HydrophobicContact CG1-CG2 4.13Å
143	E	28.8	Very low	27.7	Very low	180 Å²	180	152.4 Å²	152.4	84%	0.841	83%	0.826	S	S	*	*			trans	-74.5	157.5	153.5	-60.7	-176.8	114.5	0	0	109.8
144	I	30.3	Very low	27.7	Very low	172 Å²	172	148.3 Å²	148.3	88%	0.882	81%	0.814	S	S	*	*				-172	157.8	129.1	-100.7	156	0	0	0	112.5
145	A	27.3	Very low	27.8	Very low	78 Å²	78	152 Å²	152	65%	0.645	82%	0.815	S	S	*	*			trans	-70.3	159.9	-170	0	0	0	0	0	116
146	N	25.1	Very low	27.8	Very low	168 Å²	168	154.5 Å²	154.5	90%	0.898	81%	0.814	S	S	*	*			trans	-80.6	125.1	158	-69.2	-50.1	0	0	0	109.9
147	T	28.1	Very low	28.6	Very low	140 Å²	140	152.5 Å²	152.5	86%	0.859	81%	0.813	S	S	*	*			trans	-112.5	119.5	164.5	32.5	0	0	0	0	109.9
148	T	27.3	Very low	28.5	Very low	146 Å²	146	157.2 Å²	157.2	90%	0.896	82%	0.824	S	S	*	*			trans	-92.6	121.4	168.6	47.4	0	0	0	0	109.3
149	A	26.9	Very low	28.4	Very low	100 Å²	100	153.6 Å²	153.6	83%	0.826	82%	0.822	S	S	*	*			trans	-109.9	135.5	170	0	0	0	0	0	109.6
150	E	29.7	Very low	28.2	Very low	192 Å²	192	156.6 Å²	156.6	90%	0.897	83%	0.828	S	S	*	*			trans	-85.3	147.3	171.3	-60.8	175.1	135.6	0	0	109.8
151	L	27.1	Very low	28	Very low	176 Å²	176	155.5 Å²	155.5	92%	0.921	83%	0.832	S	S	*	*			trans	-142.2	114.2	160.9	-81	178.2	0	0	0	109.3
152	E	29.5	Very low	27.8	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	82%	0.821	S	S	*	*			trans	-83	152.8	152.8	-63.6	-170.4	132.3	0	0	109.1
153	E	25.9	Very low	27.7	Very low	193 Å²	193	152.5 Å²	152.5	90%	0.902	83%	0.825	S	S	*	*			trans	-149.9	152.5	151.9	-158.3	168	-148.2	0	0	110.3
154	T	24.6	Very low	27.6	Very low	111 Å²	111	154.7 Å²	154.7	68%	0.681	83%	0.826	S	S	*	*			trans	-139.4	133	-166.2	-67.5	0	0	0	0	112.6
155	E	29.4	Very low	27.4	Very low	134 Å²	134	150.9 Å²	150.9	63%	0.626	82%	0.82	S	S	*	*			trans	66.6	109.2	161.3	-75.9	-161.6	122.8	0	0	123.4
156	R	25.5	Very low	27.4	Very low	211 Å²	211	151.2 Å²	151.2	80%	0.796	82%	0.822	S	S	*	*				67.8	172.8	119.4	-70.4	-179.2	170	165.1	-11.7	120
157	P	43.5	Very low	27.4	Very low	111 Å²	111	152 Å²	152	72%	0.721	82%	0.821	S	S	*	*				-135.6	165.8	-50	38.5	-24.2	0	0	0	113.5
158	Q	25.3	Very low	27.5	Very low	195 Å²	195	151.2 Å²	151.2	91%	0.911	82%	0.821	S	S	*	*			trans	-161.4	161.7	154.4	-118.7	168.6	37.8	0	0	115
159	L	25.6	Very low	27.5	Very low	164 Å²	164	149.5 Å²	149.5	86%	0.859	81%	0.811	S	S	*	*			trans	-109.7	150.1	-178.2	-61	84.5	0	0	0	112.4
160	K	24.9	Very low	27.4	Very low	214 Å²	214	154 Å²	154	93%	0.93	82%	0.815	S	S	*	*				-169.7	171	128.8	-108.1	166.5	-176.3	177	0	112.4
161	A	24.9	Very low	27.2	Very low	107 Å²	107	149.9 Å²	149.9	88%	0.884	80%	0.803	S	S	*	*			trans	-138.6	159.4	-168.8	0	0	0	0	0	114
162	G	25.6	Very low	27.6	Very low	60 Å²	60	148.2 Å²	148.2	62%	0.619	79%	0.793	S	S	*	*			trans	173.5	125	171.9	0	0	0	0	0	109.2
163	L	26.7	Very low	28.1	Very low	166 Å²	166	145.5 Å²	145.5	87%	0.869	79%	0.791	S	S	*	*				64	122.3	75.7	-65.5	165.3	0	0	0	111.6
164	R	26.1	Very low	29.1	Very low	226 Å²	226	142 Å²	142	85%	0.853	79%	0.786	S	S	*	*			cis	-153.7	145.4	7.1	-97.3	177.9	177.3	-170.1	-1.7	107.7
165	A	26.5	Very low	29.3	Very low	92 Å²	92	141.5 Å²	141.5	76%	0.76	79%	0.786	S	S	*	*				95.2	166	66	0	0	0	0	0	114.4
166	A	27.2	Very low	29.4	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	79%	0.788	S	S	*	*			trans	75.2	112.3	-163.7	0	0	0	0	0	114
167	E	26.4	Very low	29.7	Very low	184 Å²	184	140.5 Å²	140.5	86%	0.86	78%	0.783	S	S	*	*				86.1	128.3	56.5	-70.8	168.8	-175.9	0	0	112
168	S	29.7	Very low	29	Very low	124 Å²	124	140.9 Å²	140.9	87%	0.867	78%	0.779	S	S	*	*				-131.1	170.5	63.8	55.1	0	0	0	0	117
169	T	26	Very low	29.1	Very low	111 Å²	111	138.8 Å²	138.8	68%	0.681	77%	0.773	S	S	*	*			trans	-146.7	133.8	-166.9	-54.7	0	0	0	0	112.5
170	E	25.6	Very low	30.1	Very low	194 Å²	194	136.1 Å²	136.1	91%	0.907	77%	0.765	S	S	*	*			trans	-143.7	124.4	146.4	-67.3	-164.6	143.8	0	0	106.6
171	T	25.3	Very low	31.2	Very low	106 Å²	106	131.7 Å²	131.7	65%	0.65	76%	0.758	S	S	*	*			cis	86	96.2	42.7	-55.3	0	0	0	0	111.4
172	I	35.4	Very low	31.5	Very low	141 Å²	141	134.3 Å²	134.3	72%	0.723	76%	0.756	S	S	*	*				75.2	118.6	59.2	-61.7	173	0	0	0	111.8
173	P	39.8	Very low	31.5	Very low	126 Å²	126	138 Å²	138	82%	0.818	77%	0.766	S	S	*	*				-140.9	161.9	97.8	34.3	-17	0	0	0	117.4
174	P	47.2	Very low	31.6	Very low	120 Å²	120	136.1 Å²	136.1	78%	0.779	76%	0.761	S	S	*	*			trans	-129.5	-165.3	-170.1	44.3	-27.1	0	0	0	114.8
175	S	28.6	Very low	32.1	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	75%	0.754	S	S	*	*			trans	-150.3	113	158.9	-165.9	0	0	0	0	108.5
176	E	31.2	Very low	31.9	Very low	143 Å²	143	134.3 Å²	134.3	67%	0.668	76%	0.756	S	S	*	*				61	140	98.6	-54.7	-146.5	119.2	0	0	115.7
177	R	33.3	Very low	32	Very low	181 Å²	181	136.6 Å²	136.6	68%	0.683	76%	0.761	S	S	*	*			cis	-160.6	-179.7	-14.2	-118	-174.4	-67.8	122.9	1.1	106.6
178	D	27.1	Very low	32.4	Very low	119 Å²	119	133 Å²	133	64%	0.636	75%	0.754	S	S	*	*			cis	-151.2	-160	10.4	-145.6	-47.4	0	0	0	109.9
179	I	27	Very low	32.3	Very low	151 Å²	151	134.6 Å²	134.6	77%	0.774	75%	0.747	S	S	*	*			trans	-131.2	-134.8	-178.7	-17.6	176.9	0	0	0	114.2
180	P	47.9	Very low	32.5	Very low	108 Å²	108	136.7 Å²	136.7	70%	0.701	75%	0.749	S	S	*	*				-100.6	-155.2	-95	40	-25.5	0	0	0	112.9
181	P	47.6	Very low	32.6	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	75%	0.746	S	S	*	*			cis	-141	-159.9	4.8	44.5	-22.1	0	0	0	117.7
182	I	31.2	Very low	32.6	Very low	162 Å²	162	134.1 Å²	134.1	83%	0.831	75%	0.747	S	S	*	*			trans	-111	154.1	-168.3	-63.7	157	0	0	0	111.5
183	V	25.5	Very low	32.1	Very low	137 Å²	137	133 Å²	133	83%	0.83	75%	0.751	S	S	*	*			trans	172.9	153.6	139.3	147.9	0	0	0	0	113.1
184	T	28.6	Very low	31.6	Very low	127 Å²	127	134.1 Å²	134.1	78%	0.779	75%	0.749	S	S	*	*			trans	-113.1	175	175.5	43.3	0	0	0	0	110.8
185	P	36.2	Very low	30.8	Very low	106 Å²	106	135.7 Å²	135.7	69%	0.688	75%	0.749	S	S	*	*			cis	-144	-166.8	16.6	45.2	-24	0	0	0	117.3
186	Q	23.5	Very low	30.8	Very low	175 Å²	175	139.4 Å²	139.4	82%	0.818	75%	0.753	S	S	*	*			trans	54.7	109.3	152.6	-74.8	173.1	-65.8	0	0	123.9
187	V	28.7	Very low	30.6	Very low	133 Å²	133	138 Å²	138	81%	0.806	76%	0.759	S	S	*	*				29.5	121.4	122.6	-178.3	0	0	0	0	118.4
188	P	34.8	Very low	30.4	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	76%	0.763	S	S	*	*				-155	156.1	85.7	37.9	-17.2	0	0	0	121.5
189	H	28.1	Very low	30.5	Very low	157 Å²	157	137 Å²	137	73%	0.727	76%	0.759	S	S	*	*			trans	56.6	129.5	143.4	-77.2	-76.9	0	0	0	126.6
190	Q	29.8	Very low	30.5	Very low	154 Å²	154	136 Å²	136	72%	0.72	76%	0.755	S	S	*	*			trans	71.7	147.2	140.7	-79.2	167.6	-75.6	0	0	120.3
191	E	26.7	Very low	29.5	Very low	182 Å²	182	137.6 Å²	137.6	85%	0.85	76%	0.757	S	S	*	*			cis	-141.6	167	8.4	-117.8	164.8	174.5	0	0	110.2
192	G	26.5	Very low	28.4	Very low	64 Å²	64	137.8 Å²	137.8	66%	0.66	76%	0.755	S	S	*	*			cis	180	169	-0.8	0	0	0	0	0	113.1
193	S	25.4	Very low	28.2	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	76%	0.759	S	S	*	*			trans	49	128.6	171.4	-68.2	0	0	0	0	120.6
194	I	28.9	Very low	28.1	Very low	151 Å²	151	133.3 Å²	133.3	77%	0.774	76%	0.757	S	S	*	*			cis	69.7	108.7	1.4	-46.4	178.7	0	0	0	119.1
195	I	30.3	Very low	28.1	Very low	152 Å²	152	131.7 Å²	131.7	78%	0.779	76%	0.756	S	S	*	*			trans	-143.5	107.7	143.6	-64.4	-170.8	0	0	0	105.3
196	K	28.7	Very low	27.8	Very low	178 Å²	178	136.3 Å²	136.3	77%	0.774	77%	0.766	S	S	*	*				68.6	144.5	90.3	-66	177.6	-179	177.5	0	113.5
197	S	27.4	Very low	27.9	Very low	115 Å²	115	133.6 Å²	133.6	80%	0.804	77%	0.766	S	S	*	*				-155.2	-178.7	53.5	-68.9	0	0	0	0	117.3
198	K	27.5	Very low	27.9	Very low	174 Å²	174	133.6 Å²	133.6	76%	0.757	77%	0.766	S	S	*	*			trans	-150.7	166.8	-173.7	-97.6	-177.7	153.6	-72.7	0	108
199	D	29.3	Very low	27.4	Very low	103 Å²	103	133.5 Å²	133.5	55%	0.551	77%	0.768	S	S	*	*			cis	-160.5	168.2	7.3	-127.6	-14.6	0	0	0	112.9
200	L	28.3	Very low	27.5	Very low	132 Å²	132	131.4 Å²	131.4	69%	0.691	77%	0.766	S	S	*	*			trans	49.2	135.2	141.4	-71	165.6	0	0	0	124.6
201	L	27.3	Very low	27.5	Very low	141 Å²	141	132 Å²	132	74%	0.738	77%	0.766	S	S	*	*			trans	89.9	131.7	133.6	-71.6	163.9	0	0	0	125
202	T	24.7	Very low	27.7	Very low	124 Å²	124	128.5 Å²	128.5	76%	0.761	75%	0.753	S	S	*	*			trans	75.2	118.7	139.3	46.5	0	0	0	0	125.3
203	S	26	Very low	27.8	Very low	129 Å²	129	129.8 Å²	129.8	90%	0.902	75%	0.752	S	S	*	*				66.8	128.1	124	-156.2	0	0	0	0	122.2
204	G	24	Very low	27.9	Very low	76 Å²	76	130 Å²	130	78%	0.784	75%	0.754	S	S	*	*			trans	169.8	153.7	168.7	0	0	0	0	0	112.5
205	A	28.5	Very low	27.8	Very low	93 Å²	93	127.3 Å²	127.3	77%	0.769	75%	0.753	S	S	*	*			trans	-154.4	169.5	-175.6	0	0	0	0	0	113.9
206	K	29.9	Very low	27.9	Very low	204 Å²	204	127.2 Å²	127.2	89%	0.887	75%	0.753	S	S	*	*			trans	77.6	153.5	175	-56.2	177.9	-178.3	178.8	0	115.1
207	S	25.9	Very low	27.9	Very low	117 Å²	117	127 Å²	127	82%	0.818	76%	0.755	S	S	*	*			cis	-164.7	175	-14.6	44.3	0	0	0	0	112.7
208	V	27.6	Very low	27.9	Very low	134 Å²	134	127.7 Å²	127.7	81%	0.812	75%	0.749	S	S	*	*			trans	-70.9	151	-168.5	171.8	0	0	0	0	117.9	V210	V208-V210 HydrophobicContact CG1-CG2 3.98Å
209	S	24.6	Very low	28.6	Very low	107 Å²	107	124.5 Å²	124.5	75%	0.748	75%	0.747	S	S	*	*			trans	-154.8	149.5	144.5	-148.4	0	0	0	0	108.3
210	V	29.7	Very low	28.7	Very low	112 Å²	112	130 Å²	130	68%	0.679	76%	0.76	S	S	*	*			cis	79.5	125.5	16.8	-176	0	0	0	0	113.1	V208	V208-V210 HydrophobicContact CG1-CG2 3.98Å
211	K	30.8	Very low	28.6	Very low	167 Å²	167	128.4 Å²	128.4	73%	0.726	76%	0.759	S	S	*	*			cis	-138.8	-155.8	-1.9	-142.7	164.8	164.8	-78.6	0	107.1
212	D	30	Very low	28.6	Very low	109 Å²	109	129.8 Å²	129.8	58%	0.583	76%	0.762	S	S	*	*			cis	-167.4	-179.6	0.9	-132.8	-28.3	0	0	0	106.8
213	S	28.8	Very low	28.7	Very low	91 Å²	91	130.7 Å²	130.7	64%	0.636	76%	0.761	S	S	*	*			cis	-166	-173	-8.4	-142.3	0	0	0	0	112
214	S	26.8	Very low	28.7	Very low	122 Å²	122	132.4 Å²	132.4	85%	0.853	76%	0.759	S	S	*	*			trans	79.4	155.6	159.3	78.1	0	0	0	0	120.5
215	A	28.5	Very low	29	Very low	93 Å²	93	136.7 Å²	136.7	77%	0.769	76%	0.759	S	S	*	*			trans	-165.6	-172.8	-162.4	0	0	0	0	0	114.1
216	I	31.1	Very low	29.6	Very low	150 Å²	150	137.8 Å²	137.8	77%	0.769	76%	0.759	S	S	*	*			trans	119.3	101.4	156.1	-61.2	171.9	0	0	0	117.8
217	Q	28.6	Very low	29.5	Very low	174 Å²	174	134 Å²	134	81%	0.813	75%	0.748	S	S	*	*			trans	54.6	120.4	133.2	-58.5	173.6	-5.7	0	0	124.5
218	D	28.1	Very low	29.6	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	75%	0.747	S	S	*	*				34.7	151.4	112.2	-127.1	32.7	0	0	0	120.3
219	P	42.8	Very low	29.6	Very low	108 Å²	108	134.2 Å²	134.2	70%	0.701	74%	0.744	S	S	*	*			cis	-151.2	166.7	37.6	43.6	-21.6	0	0	0	122
220	R	30	Very low	29.9	Very low	219 Å²	219	136.3 Å²	136.3	83%	0.826	75%	0.752	S	S	*	*			trans	16.8	150.5	138.2	-64.1	-179.8	-179.3	-178.8	-1.8	121.2
221	S	26.3	Very low	30	Very low	97 Å²	97	136.1 Å²	136.1	68%	0.678	75%	0.746	S	S	*	*			cis	177.6	163.4	-5	51.5	0	0	0	0	112.4
222	Q	27	Very low	30	Very low	170 Å²	170	136.5 Å²	136.5	79%	0.794	75%	0.748	S	S	*	*			trans	128.1	125.5	144.1	-72.7	-165.1	-14.6	0	0	120.3
223	L	26.9	Very low	30.2	Very low	143 Å²	143	137.3 Å²	137.3	75%	0.749	75%	0.749	S	S	*	*			trans	78.3	148	140.1	-96.4	86.2	0	0	0	125.5
224	L	27	Very low	30.5	Very low	165 Å²	165	141.2 Å²	141.2	86%	0.864	76%	0.762	S	S	*	*			trans	88.8	126.5	160.7	-70.2	162.6	0	0	0	121.4
225	Q	31.1	Very low	30.8	Very low	167 Å²	167	143.7 Å²	143.7	78%	0.78	76%	0.758	S	S	*	*			trans	-95.8	172.8	169.1	-84.5	-101.9	2.5	0	0	108.6
226	P	39.2	Very low	31.5	Very low	116 Å²	116	143.8 Å²	143.8	75%	0.753	75%	0.753	S	S	*	*			cis	-152.3	170.9	31.8	45.7	-25.3	0	0	0	121.3
227	D	28.6	Very low	32.3	Very low	123 Å²	123	146.5 Å²	146.5	66%	0.658	76%	0.762	S	S	*	*			trans	85.4	147.9	141.6	-154.8	24.3	0	0	0	122.6
228	K	28.8	Very low	33.3	Very low	184 Å²	184	146.2 Å²	146.2	80%	0.8	76%	0.761	S	S	*	*			trans	75	111.8	164.6	-47.8	-166.6	-177.8	177.6	0	120.8
229	G	26.6	Very low	34.4	Very low	73 Å²	73	143.2 Å²	143.2	75%	0.753	75%	0.754	S	S	*	*			trans	152	83.4	143.6	0	0	0	0	0	119.4
230	V	31.4	Very low	35.6	Very low	150 Å²	150	141 Å²	141	91%	0.909	74%	0.742	S	S	*	*			trans	55.5	108.2	149.9	-169.8	0	0	0	0	119.7
231	L	31.6	Very low	37	Very low	108 Å²	108	136.7 Å²	136.7	57%	0.565	73%	0.734	S	S	*	*			trans	-92.6	153.8	152.7	-157.6	62.7	0	0	0	107.1	Q233	L231-Q233 HydrophobicContact CD1-CG 4.27Å
232	F	31.7	Very low	38.2	Very low	176 Å²	176	138 Å²	138	77%	0.772	73%	0.734	S	S	*	*			cis	-136.7	142.4	25.6	-65.1	-107.7	0	0	0	108.9
233	Q	32.6	Very low	39.8	Very low	126 Å²	126	133.9 Å²	133.9	59%	0.589	72%	0.716	S	S	*	*				55.3	79.3	70.2	-69.1	-163	46.2	0	0	115.8	L231	L231-Q233 HydrophobicContact CD1-CG 4.27Å
234	N	35.2	Very low	41.5	Very low	172 Å²	172	130.1 Å²	130.1	92%	0.92	70%	0.699	S	S	*	*			trans	-75.4	134.1	142.1	-77.6	-32.5	0	0	0	108.3
235	K	33.9	Very low	42.8	Very low	174 Å²	174	128.8 Å²	128.8	76%	0.757	69%	0.687	S	S	*	*			trans	-132.2	129.1	166	-79	-175.3	172.4	174.1	0	109.3
236	S	42.3	Very low	44	Very low	96 Å²	96	125.8 Å²	125.8	67%	0.671	67%	0.673	S	S	*	*			trans	-70.6	154.1	173.9	34.6	0	0	0	0	111.6	E238	S236-E238 PolarHBondContact O-N 2.75Å
237	E	47.8	Very low	44.9	Very low	207 Å²	207	123.9 Å²	123.9	97%	0.967	66%	0.656	S	S	*	*			trans	-76	72.7	170.9	-64.8	179.7	122.4	0	0	110.7
238	E	49.9	Very low	46.1	Very low	167 Å²	167	123.1 Å²	123.1	78%	0.78	65%	0.651	S	S	*	*			trans	-99.8	111.4	163	-68.7	-174.4	143.5	0	0	108.6	S236	S236-E238 PolarHBondContact O-N 2.75Å
239	A	51.1	Low	47.2	Very low	67 Å²	67	117.8 Å²	117.8	55%	0.554	63%	0.634	S	S	*	*			trans	-60.7	137.7	167.9	0	0	0	0	0	109	L241 L243 V244	A239-L241 PolarHBondContact O-N 2.88Å; A239-L243 HydrophobicContact CB-CD2 4.47Å; A239-V244 HydrophobicContact CB-CG2 4.49Å
240	S	68.8	Low	48.6	Very low	62 Å²	62	118.6 Å²	118.6	43%	0.434	62%	0.618	S	S	.	*			trans	-61	143.8	179.6	67.4	0	0	0	0	110.4	D242 L243 V244	S240-D242 PolarHBondContact O-N 2.85Å; S240-L243 PolarHBondContact O-N 2.81Å; S240-L243 PolarHBondContact OG-N 3.05Å; S240-V244 PolarHBondContact O-N 2.83Å; S240-V244 VanDerWaalsContact O-N 3.12Å
241	L	59.5	Low	50.2	Low	128 Å²	128	114.6 Å²	114.6	67%	0.67	59%	0.592	S	S	*	*	H	α-helix	trans	-58	-30.7	175.6	-67.7	174.1	0	0	0	110.9	A239 V244 F245	A239-L241 PolarHBondContact O-N 2.88Å; L241-V244 PolarHBondContact O-N 3.37Å; L241-F245 VanDerWaalsContact O-CD2 3.23Å; L241-F245 WeakPolarHBondContact O-CD2 3.39Å; L241-F245 PolarHBondContact O-N 3.09Å
242	D	52.4	Low	52.4	Low	125 Å²	125	112.2 Å²	112.2	67%	0.668	58%	0.578	S	S	*	*	H	α-helix	trans	-60.8	-44.6	174	-43.4	-71.6	0	0	0	112.1	S240 V244 F245 E246	S240-D242 PolarHBondContact O-N 2.85Å; D242-V244 VanDerWaalsContact C-N 3.32Å; D242-V244 PolarHBondContact O-N 2.9Å; D242-F245 PolarHBondContact O-N 2.87Å; D242-E246 WeakPolarHBondContact O-CB 3.31Å; D242-E246 PolarHBondContact O-N 3.11Å
243	L	59.9	Low	55.1	Low	82 Å²	82	108.6 Å²	108.6	43%	0.429	56%	0.559	S	S	.	*	H	α-helix	trans	-66.1	-35.6	175.8	-179.7	62.9	0	0	0	111.5	A239 S240 E246 L247	A239-L243 HydrophobicContact CB-CD2 4.47Å; S240-L243 PolarHBondContact O-N 2.81Å; S240-L243 PolarHBondContact OG-N 3.05Å; L243-E246 PolarHBondContact O-N 2.69Å; L243-L247 HydrophobicContact CD1-CD1 3.73Å; L243-L247 HydrophobicContact CG-CD1 4.05Å; L243-L247 WeakPolarHBondContact O-CD1 3.37Å; L243-L247 PolarHBondContact O-N 3.49Å
244	V	61.7	Low	58	Low	65 Å²	65	104 Å²	104	39%	0.394	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-42.8	174.1	178.8	0	0	0	0	110.9	A239 S240 L241 D242 L247 L248	A239-V244 HydrophobicContact CB-CG2 4.49Å; S240-V244 PolarHBondContact O-N 2.83Å; S240-V244 VanDerWaalsContact O-N 3.12Å; L241-V244 PolarHBondContact O-N 3.37Å; D242-V244 VanDerWaalsContact C-N 3.32Å; D242-V244 PolarHBondContact O-N 2.9Å; V244-L247 PolarHBondContact O-N 2.91Å; V244-L248 HydrophobicContact CG1-CD1 3.93Å; V244-L248 WeakPolarHBondContact O-CB 3.39Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 3.47Å
245	F	55.3	Low	60.8	Low	137 Å²	137	97.8 Å²	97.8	60%	0.601	51%	0.506	S	S	*	.	H	α-helix	trans	-66.5	-34.9	173.7	-86.1	-68	0	0	0	112.6	L241 D242 L248 T249	L241-F245 VanDerWaalsContact O-CD2 3.23Å; L241-F245 WeakPolarHBondContact O-CD2 3.39Å; L241-F245 PolarHBondContact O-N 3.09Å; D242-F245 PolarHBondContact O-N 2.87Å; F245-L248 PolarHBondContact O-N 3.09Å; F245-T249 WeakPolarHBondContact O-CB 3.4Å; F245-T249 WeakPolarHBondContact O-CG2 3.49Å; F245-T249 PolarHBondContact O-N 2.95Å; F245-T249 PolarHBondContact O-OG1 3.25Å
246	E	56.4	Low	63.8	Low	104 Å²	104	92 Å²	92	49%	0.486	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-45.7	175.3	-173.6	171.3	-170.4	0	0	111.1	D242 L243 L248 T249 Q250	D242-E246 WeakPolarHBondContact O-CB 3.31Å; D242-E246 PolarHBondContact O-N 3.11Å; L243-E246 PolarHBondContact O-N 2.69Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.91Å; E246-T249 WeakPolarHBondContact CA-OG1 3.49Å; E246-T249 PolarHBondContact O-N 2.92Å; E246-T249 PolarHBondContact O-OG1 2.82Å; E246-Q250 WeakPolarHBondContact O-CB 3.25Å; E246-Q250 VanDerWaalsContact O-CG 3.29Å; E246-Q250 WeakPolarHBondContact O-CG 3.33Å; E246-Q250 PolarHBondContact O-N 2.87Å; E246-Q250 PolarHBondContact OE1-NE2 2.79Å
247	L	57.1	Low	66.4	Low	76 Å²	76	91.7 Å²	91.7	40%	0.398	47%	0.47	S	S	.	.	H	α-helix	trans	-61.3	-40.9	171.1	-93	83	0	0	0	112.2	L243 V244 T249 Q250 L251	L243-L247 HydrophobicContact CD1-CD1 3.73Å; L243-L247 HydrophobicContact CG-CD1 4.05Å; L243-L247 WeakPolarHBondContact O-CD1 3.37Å; L243-L247 PolarHBondContact O-N 3.49Å; V244-L247 PolarHBondContact O-N 2.91Å; L247-T249 VanDerWaalsContact C-N 3.33Å; L247-T249 PolarHBondContact O-N 2.6Å; L247-Q250 PolarHBondContact O-N 2.97Å; L247-L251 WeakPolarHBondContact O-CB 3.33Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.49Å; L247-L251 PolarHBondContact O-N 2.83Å
248	L	55.1	Low	68.6	Low	107 Å²	107	85.5 Å²	85.5	56%	0.56	45%	0.449	S	S	*	.	H	α-helix	trans	-71.1	-24	179.8	-72.6	170.8	0	0	0	113.8	V244 F245 E246	V244-L248 HydrophobicContact CG1-CD1 3.93Å; V244-L248 WeakPolarHBondContact O-CB 3.39Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 3.47Å; F245-L248 PolarHBondContact O-N 3.09Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.91Å
249	T	51.9	Low	70.3	Confident	71 Å²	71	82.5 Å²	82.5	44%	0.436	44%	0.439	S	S	.	.	H	α-helix	trans	-85.2	-29.3	172.1	49.2	0	0	0	0	112.5	F245 E246 L247 Q252	F245-T249 WeakPolarHBondContact O-CB 3.4Å; F245-T249 WeakPolarHBondContact O-CG2 3.49Å; F245-T249 PolarHBondContact O-N 2.95Å; F245-T249 PolarHBondContact O-OG1 3.25Å; E246-T249 WeakPolarHBondContact CA-OG1 3.49Å; E246-T249 PolarHBondContact O-N 2.92Å; E246-T249 PolarHBondContact O-OG1 2.82Å; L247-T249 VanDerWaalsContact C-N 3.33Å; L247-T249 PolarHBondContact O-N 2.6Å; T249-Q252 VanDerWaalsContact O-CD 3.23Å; T249-Q252 VanDerWaalsContact O-CG 3.25Å; T249-Q252 WeakPolarHBondContact O-CG 3.43Å; T249-Q252 PolarHBondContact O-OE1 2.92Å
250	Q	55.3	Low	72.1	Confident	91 Å²	91	85.1 Å²	85.1	43%	0.425	45%	0.453	S	S	.	.	H	α-helix	trans	-73.3	-36.1	172	-69.9	173.6	14.2	0	0	112.7	E246 L247 Q252	E246-Q250 WeakPolarHBondContact O-CB 3.25Å; E246-Q250 VanDerWaalsContact O-CG 3.29Å; E246-Q250 WeakPolarHBondContact O-CG 3.33Å; E246-Q250 PolarHBondContact O-N 2.87Å; E246-Q250 PolarHBondContact OE1-NE2 2.79Å; L247-Q250 PolarHBondContact O-N 2.97Å; Q250-Q252 PolarHBondContact O-N 3Å; Q250-Q252 VanDerWaalsContact O-N 3.09Å
251	L	65.1	Low	73.4	Confident	66 Å²	66	83.7 Å²	83.7	35%	0.346	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	34.6	-179.3	-66.3	174.5	0	0	0	114.4	L247 Y253 T454	L247-L251 WeakPolarHBondContact O-CB 3.33Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.49Å; L247-L251 PolarHBondContact O-N 2.83Å; L251-Y253 VanDerWaalsContact O-CD2 3.28Å; L251-Y253 WeakPolarHBondContact O-CD2 3.37Å; L251-Y253 WeakPolarHBondContact O-CE2 3.4Å; L251-Y253 PolarHBondContact O-N 2.88Å; L251-T454 HydrophobicContact CD2-CG2 3.71Å
252	Q	78.3	Confident	75.1	Confident	58 Å²	58	80.4 Å²	80.4	27%	0.271	42%	0.424	S	S	.	.			trans	-84.7	97.7	-179.1	-71.7	178.1	-9.5	0	0	112.2	T249 Q250 H254 N276 H282	T249-Q252 VanDerWaalsContact O-CD 3.23Å; T249-Q252 VanDerWaalsContact O-CG 3.25Å; T249-Q252 WeakPolarHBondContact O-CG 3.43Å; T249-Q252 PolarHBondContact O-OE1 2.92Å; Q250-Q252 PolarHBondContact O-N 3Å; Q250-Q252 VanDerWaalsContact O-N 3.09Å; Q252-H254 PolarHBondContact O-ND1 3.24Å; Q252-N276 PolarHBondContact OE1-ND2 3.45Å; Q252-H282 WeakPolarHBondContact O-CB 3.49Å; Q252-H282 PolarHBondContact O-ND1 2.84Å
253	Y	88.6	Confident	77.2	Confident	99 Å²	99	74.5 Å²	74.5	39%	0.388	39%	0.393	S	S	.	.			trans	-71.7	128.6	173.6	-60.2	-84.9	0	0	0	111.9	L251 F267 H282 V284 T454	L251-Y253 VanDerWaalsContact O-CD2 3.28Å; L251-Y253 WeakPolarHBondContact O-CD2 3.37Å; L251-Y253 WeakPolarHBondContact O-CE2 3.4Å; L251-Y253 PolarHBondContact O-N 2.88Å; Y253-F267 AromaticContact CD1-CE1 3.66Å; Y253-F267 HydrophobicContact CD1-CE1 3.66Å; Y253-F267 AromaticContact CD1-CZ 3.67Å; Y253-F267 HydrophobicContact CD1-CZ 3.67Å; Y253-F267 AromaticContact CE1-CE1 3.54Å; Y253-F267 HydrophobicContact CE1-CE1 3.54Å; Y253-F267 AromaticContact CE1-CZ 3.6Å; Y253-F267 HydrophobicContact CE1-CZ 3.6Å; Y253-F267 HydrophobicContact CG-CZ 4.21Å; Y253-H282 WeakPolarHBondContact CA-O 3.21Å; Y253-V284 HydrophobicContact CD1-CG2 3.97Å; Y253-V284 HydrophobicContact CE1-CB 4.37Å; Y253-V284 HydrophobicContact CE1-CG2 3.6Å; Y253-T454 PolarHBondContact OH-O 2.79Å
254	H	92.2	Very high	78.8	Confident	30 Å²	30	70.9 Å²	70.9	14%	0.139	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-155.8	157.4	178.9	67.7	-93.7	0	0	0	111.8	Q252 H256 G275 N276 C278 H280 H282	Q252-H254 PolarHBondContact O-ND1 3.24Å; H254-H256 AromaticContact CD2-CE1 3.88Å; H254-H256 AromaticContact CD2-NE2 3.45Å; H254-H256 PolarHBondContact CD2-NE2 3.47Å; H254-H256 AromaticContact NE2-CE1 3.87Å; H254-H256 AromaticContact NE2-NE2 3.23Å; H254-H256 PolarHBondContact NE2-NE2 3.25Å; H254-G275 PolarHBondContact CE1-O 2.88Å; H254-N276 PolarHBondContact ND1-OD1 2.98Å; H254-C278 PolarHBondContact NE2-O 2.97Å; H254-H280 PolarHBondContact NE2-O 2.81Å; H254-H280 VanDerWaalsContact NE2-O 3.17Å; H254-H282 AromaticContact CE1-CD2 3.78Å; H254-H282 AromaticContact CE1-CE1 3.86Å; H254-H282 AromaticContact CE1-CG 3.37Å; H254-H282 AromaticContact CE1-ND1 3.42Å; H254-H282 PolarHBondContact CE1-ND1 3.25Å; H254-H282 PolarHBondContact N-O 2.96Å; H254-H282 AromaticContact ND1-CG 3.66Å; H254-H282 AromaticContact ND1-ND1 3.64Å; H254-H282 PolarHBondContact O-N 2.71Å
255	T	95.1	Very high	80.3	Confident	41 Å²	41	68.6 Å²	68.6	25%	0.252	36%	0.361	S	S	.	.			trans	-136	126.8	176.2	63.3	0	0	0	0	113.1	H281 T283 Q290 L351	T255-H281 WeakPolarHBondContact CA-ND1 3.32Å; T255-H281 WeakPolarHBondContact CB-ND1 3.39Å; T255-T283 HydrophobicContact CG2-CG2 3.98Å; T255-Q290 PolarHBondContact OG1-NE2 2.79Å; T255-L351 HydrophobicContact CG2-CD1 4.05Å
256	H	95.9	Very high	81.9	Confident	54 Å²	54	66.2 Å²	66.2	25%	0.25	35%	0.354	C	S	.	.			trans	-67.8	152.2	173.4	-59	-72.6	0	0	0	112.4	H254 V261 C278 H280 H281 R349	H254-H256 AromaticContact CD2-CE1 3.88Å; H254-H256 AromaticContact CD2-NE2 3.45Å; H254-H256 PolarHBondContact CD2-NE2 3.47Å; H254-H256 AromaticContact NE2-CE1 3.87Å; H254-H256 AromaticContact NE2-NE2 3.23Å; H254-H256 PolarHBondContact NE2-NE2 3.25Å; H256-V261 HydrophobicContact CB-CB 4.45Å; H256-V261 HydrophobicContact CB-CG1 4.39Å; H256-V261 HydrophobicContact CB-CG2 4.28Å; H256-C278 PolarHBondContact CE1-O 2.86Å; H256-C278 VanDerWaalsContact CE1-O 3.25Å; H256-C278 PolarHBondContact NE2-O 2.64Å; H256-H280 PolarHBondContact NE2-O 2.77Å; H256-H281 PolarHBondContact N-CE1 2.86Å; H256-H281 PolarHBondContact N-ND1 3.17Å; H256-H281 PolarHBondContact O-CE1 3.31Å; H256-H281 VanDerWaalsContact O-CE1 3.27Å; H256-R349 PolarHBondContact O-NH2 2.87Å
257	Q	96.2	Very high	83.6	Confident	89 Å²	89	61.4 Å²	61.4	42%	0.416	33%	0.332	S	S	.	.	S	Bend	trans	-84.3	-24.2	178.3	-69.3	-69.6	-51	0	0	112.9	W299 R349	Q257-W299 PolarHBondContact NE2-O 2.74Å; Q257-W299 VanDerWaalsContact O-CD1 3.23Å; Q257-R349 PolarHBondContact O-NH1 3.07Å
258	S	94.1	Very high	85.1	Confident	76 Å²	76	57.8 Å²	57.8	53%	0.531	31%	0.313	S	S	.	.	S	Bend	trans	-58.1	141.8	179.3	-47.2	0	0	0	0	113.5	S260 R349	S258-S260 VanDerWaalsContact C-N 3.31Å; S258-S260 PolarHBondContact O-N 3.47Å; S258-R349 PolarHBondContact O-NH1 3.28Å
259	D	85.9	Confident	86.7	Confident	105 Å²	105	54.8 Å²	54.8	56%	0.561	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	9.2	-175.5	-72.4	-41.3	0	0	0	115.5	W299 R349	D259-W299 VanDerWaalsContact OD1-CE2 3.27Å; D259-W299 VanDerWaalsContact OD1-CZ2 3.3Å; D259-W299 WeakPolarHBondContact OD1-CZ2 3.39Å; D259-W299 PolarHBondContact OD1-NE1 2.83Å; D259-R349 IonicContact OD1-CZ 3.13Å; D259-R349 IonicContact OD1-NH1 2.85Å; D259-R349 PolarHBondContact OD1-NH1 2.87Å
260	S	89.3	Confident	88.3	Confident	122 Å²	122	53.7 Å²	53.7	85%	0.853	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	39	-176.4	-55.1	0	0	0	0	112.5	S258	S258-S260 VanDerWaalsContact C-N 3.31Å; S258-S260 PolarHBondContact O-N 3.47Å
261	V	95.9	Very high	89.8	Confident	31 Å²	31	56.6 Å²	56.6	19%	0.188	31%	0.306	C	S	.	.			trans	-114.1	131.1	175.9	178.2	0	0	0	0	108.8	H256 A279 H281	H256-V261 HydrophobicContact CB-CB 4.45Å; H256-V261 HydrophobicContact CB-CG1 4.39Å; H256-V261 HydrophobicContact CB-CG2 4.28Å; V261-A279 WeakPolarHBondContact CG1-O 3.38Å; V261-H281 PolarHBondContact O-CD2 2.92Å; V261-H281 PolarHBondContact O-NE2 3.43Å
262	D	96.1	Very high	90.9	Very high	59 Å²	59	54.1 Å²	54.1	32%	0.316	29%	0.293	S	S	.	.			trans	-87.7	161.3	176.9	-78.9	-44.9	0	0	0	111.8	H280 H281 T352	D262-H280 CarbonylContact O-C 3.59Å; D262-H280 WeakPolarHBondContact O-CA 3.47Å; D262-H280 WeakPolarHBondContact O-CB 3.46Å; D262-H281 PolarHBondContact O-N 3.08Å; D262-T352 CarbonylContact C-O 3.54Å; D262-T352 WeakPolarHBondContact CA-O 3.36Å; D262-T352 WeakPolarHBondContact OD1-CG2 3.47Å
263	I	96.1	Very high	91.4	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-73.7	131.9	170	-64.1	167.1	0	0	0	109.6	V265 L268 H281 T283 H288 L351 T352 T353	I263-V265 PolarHBondContact O-N 2.83Å; I263-V265 VanDerWaalsContact O-N 3.13Å; I263-L268 HydrophobicContact CG2-CD1 3.83Å; I263-L268 HydrophobicContact CG2-CG 4.2Å; I263-H281 HydrophobicContact CG1-CB 4.08Å; I263-T283 WeakPolarHBondContact CD1-OG1 3.44Å; I263-T283 HydrophobicContact CG1-CG2 4.49Å; I263-T283 WeakPolarHBondContact CG2-OG1 3.3Å; I263-H288 HydrophobicContact CD1-CB 4.33Å; I263-L351 HydrophobicContact CD1-CB 3.94Å; I263-L351 HydrophobicContact CG1-CB 4.04Å; I263-T352 PolarHBondContact N-O 3.16Å; I263-T353 HydrophobicContact CB-CG2 3.72Å; I263-T353 HydrophobicContact CG2-CG2 3.72Å
264	C	93.9	Very high	91.3	Very high	7 Å²	7	59 Å²	59	5%	0.047	33%	0.326	C	S	.	.			trans	-66.8	108.7	-179.9	-170.6	0	0	0	0	110.9	D266 F267 L268 H280 H281	C264-D266 VanDerWaalsContact C-N 3.3Å; C264-D266 PolarHBondContact O-N 3.18Å; C264-F267 HydrophobicContact CB-CB 3.64Å; C264-F267 WeakPolarHBondContact O-CB 3.41Å; C264-F267 PolarHBondContact O-N 2.88Å; C264-F267 PolarHBondContact SG-N 2.97Å; C264-L268 PolarHBondContact O-N 3.18Å; C264-H280 HydrophobicContact CB-CB 3.65Å; C264-H281 WeakPolarHBondContact CB-O 3.16Å; C264-H281 PolarHBondContact N-O 2.74Å
265	V	92.2	Very high	90.9	Very high	17 Å²	17	58.1 Å²	58.1	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-35	177	173.2	0	0	0	0	111.2	I263 F267 L268 Q269 T353 P354 C371	I263-V265 PolarHBondContact O-N 2.83Å; I263-V265 VanDerWaalsContact O-N 3.13Å; V265-F267 VanDerWaalsContact C-N 3.34Å; V265-L268 PolarHBondContact O-N 2.92Å; V265-Q269 WeakPolarHBondContact O-CB 3.42Å; V265-Q269 WeakPolarHBondContact O-CG 3.19Å; V265-Q269 PolarHBondContact O-N 3.29Å; V265-Q269 VanDerWaalsContact O-N 3.08Å; V265-T353 HydrophobicContact CG2-CG2 3.75Å; V265-P354 HydrophobicContact CG2-CG 4.14Å; V265-C371 HydrophobicContact CG1-CB 4.35Å
266	D	90.2	Very high	90.4	Very high	86 Å²	86	60.1 Å²	60.1	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-67.8	-33.7	175.5	-63.6	-54.6	0	0	0	111.9	C264 Q269 G270 R271 C272	C264-D266 VanDerWaalsContact C-N 3.3Å; C264-D266 PolarHBondContact O-N 3.18Å; D266-Q269 CarbonylContact O-C 3.6Å; D266-Q269 PolarHBondContact O-N 3.25Å; D266-G270 PolarHBondContact O-N 2.95Å; D266-G270 VanDerWaalsContact O-N 3.12Å; D266-R271 HydrophobicContact CB-CB 4.04Å; D266-R271 WeakPolarHBondContact O-CA 3.46Å; D266-R271 PolarHBondContact O-N 3.13Å; D266-C272 HydrophobicContact CB-CB 4.32Å; D266-C272 PolarHBondContact O-N 3.36Å
267	F	90.9	Very high	90.1	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.018	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-54.1	172.1	178.5	-103.4	0	0	0	110.2	Y253 C264 V265 Q269 G270 C272 H282 T283 T454	Y253-F267 AromaticContact CD1-CE1 3.66Å; Y253-F267 HydrophobicContact CD1-CE1 3.66Å; Y253-F267 AromaticContact CD1-CZ 3.67Å; Y253-F267 HydrophobicContact CD1-CZ 3.67Å; Y253-F267 AromaticContact CE1-CE1 3.54Å; Y253-F267 HydrophobicContact CE1-CE1 3.54Å; Y253-F267 AromaticContact CE1-CZ 3.6Å; Y253-F267 HydrophobicContact CE1-CZ 3.6Å; Y253-F267 HydrophobicContact CG-CZ 4.21Å; C264-F267 HydrophobicContact CB-CB 3.64Å; C264-F267 WeakPolarHBondContact O-CB 3.41Å; C264-F267 PolarHBondContact O-N 2.88Å; C264-F267 PolarHBondContact SG-N 2.97Å; V265-F267 VanDerWaalsContact C-N 3.34Å; F267-Q269 PolarHBondContact O-N 3.3Å; F267-G270 PolarHBondContact O-N 3.05Å; F267-C272 HydrophobicContact CB-CB 3.91Å; F267-H282 HydrophobicContact CD1-CB 3.84Å; F267-H282 AromaticContact CD1-CG 3.99Å; F267-H282 HydrophobicContact CD2-CB 4.04Å; F267-H282 AromaticContact CD2-CD2 3.79Å; F267-H282 AromaticContact CD2-CE1 3.48Å; F267-H282 VanDerWaalsContact CD2-CE1 3.48Å; F267-H282 WeakPolarHBondContact CD2-CE1 3.17Å; F267-H282 AromaticContact CD2-CG 3.47Å; F267-H282 VanDerWaalsContact CD2-CG 3.47Å; F267-H282 AromaticContact CD2-ND1 3.28Å; F267-H282 VanDerWaalsContact CD2-ND1 3.28Å; F267-H282 WeakPolarHBondContact CD2-ND1 3.13Å; F267-H282 AromaticContact CD2-NE2 3.78Å; F267-H282 HydrophobicContact CE1-CB 3.8Å; F267-H282 HydrophobicContact CE2-CB 3.99Å; F267-H282 AromaticContact CE2-CG 3.8Å; F267-H282 AromaticContact CE2-ND1 3.49Å; F267-H282 WeakPolarHBondContact CE2-ND1 3.4Å; F267-H282 HydrophobicContact CG-CB 3.96Å; F267-H282 AromaticContact CG-CD2 3.6Å; F267-H282 AromaticContact CG-CG 3.56Å; F267-H282 AromaticContact CG-ND1 3.88Å; F267-H282 AromaticContact CG-NE2 3.91Å; F267-H282 HydrophobicContact CZ-CB 3.87Å; F267-T283 WeakPolarHBondContact CE1-O 3.49Å; F267-T454 HydrophobicContact CD1-CG2 4.21Å; F267-T454 HydrophobicContact CD2-CG2 4.29Å; F267-T454 HydrophobicContact CE1-CG2 4Å; F267-T454 HydrophobicContact CE2-CG2 4.1Å; F267-T454 HydrophobicContact CG-CG2 4.35Å; F267-T454 HydrophobicContact CZ-CG2 3.95Å; F267-T454 WeakPolarHBondContact O-CG2 3.2Å
268	L	89.8	Confident	90	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-53.8	-29.7	177	-64.5	173.3	0	0	0	113.1	I263 C264 V265 T283 P286 T353 C371 L452 Q453	I263-L268 HydrophobicContact CG2-CD1 3.83Å; I263-L268 HydrophobicContact CG2-CG 4.2Å; C264-L268 PolarHBondContact O-N 3.18Å; V265-L268 PolarHBondContact O-N 2.92Å; L268-T283 WeakPolarHBondContact CD2-O 3.49Å; L268-P286 HydrophobicContact CD1-CB 3.96Å; L268-T353 HydrophobicContact CD1-CG2 3.51Å; L268-C371 HydrophobicContact CB-CB 4.46Å; L268-C371 HydrophobicContact CD1-CB 4.09Å; L268-L452 HydrophobicContact CB-CD2 3.74Å; L268-L452 HydrophobicContact CD1-CD2 4.43Å; L268-L452 HydrophobicContact CD2-CD2 3.84Å; L268-L452 HydrophobicContact CG-CD2 4.21Å; L268-L452 CarbonylContact O-C 3.32Å; L268-L452 WeakPolarHBondContact O-CA 3.42Å; L268-Q453 PolarHBondContact O-N 3.18Å
269	Q	87.6	Confident	90	Very high	43 Å²	43	60.8 Å²	60.8	20%	0.201	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	5.3	177.8	-67.3	-178.9	30	0	0	115	V265 D266 F267 R271 Q453	V265-Q269 WeakPolarHBondContact O-CB 3.42Å; V265-Q269 WeakPolarHBondContact O-CG 3.19Å; V265-Q269 PolarHBondContact O-N 3.29Å; V265-Q269 VanDerWaalsContact O-N 3.08Å; D266-Q269 CarbonylContact O-C 3.6Å; D266-Q269 PolarHBondContact O-N 3.25Å; F267-Q269 PolarHBondContact O-N 3.3Å; Q269-R271 HydrophobicContact CB-CG 4.35Å; Q269-Q453 VanDerWaalsContact O-CD 3.31Å; Q269-Q453 PolarHBondContact O-OE1 2.81Å; Q269-Q453 VanDerWaalsContact O-OE1 3.09Å
270	G	85.5	Confident	90.5	Very high	48 Å²	48	59.9 Å²	59.9	50%	0.495	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	28.4	179.2	0	0	0	0	0	114.5	D266 F267	D266-G270 PolarHBondContact O-N 2.95Å; D266-G270 VanDerWaalsContact O-N 3.12Å; F267-G270 PolarHBondContact O-N 3.05Å
271	R	86.9	Confident	90.8	Very high	153 Å²	153	54.1 Å²	54.1	58%	0.577	30%	0.299	S	S	*	.			trans	-124.5	-7.6	-170.3	-66.2	167.1	-175	-172.8	-6.3	114.5	D266 Q269 V273	D266-R271 HydrophobicContact CB-CB 4.04Å; D266-R271 WeakPolarHBondContact O-CA 3.46Å; D266-R271 PolarHBondContact O-N 3.13Å; Q269-R271 HydrophobicContact CB-CG 4.35Å; R271-V273 PolarHBondContact O-N 3.11Å
272	C	89	Confident	90.7	Very high	13 Å²	13	52.7 Å²	52.7	9%	0.088	29%	0.291	C	S	.	.			trans	-73	114.4	179.3	-174.6	0	0	0	0	111	D266 F267 C278 H282	D266-C272 HydrophobicContact CB-CB 4.32Å; D266-C272 PolarHBondContact O-N 3.36Å; F267-C272 HydrophobicContact CB-CB 3.91Å; C272-C278 VanDerWaalsContact SG-SG 3.68Å; C272-H282 PolarHBondContact SG-NE2 3.47Å
273	V	87.1	Confident	90.6	Very high	127 Å²	127	50.1 Å²	50.1	77%	0.77	28%	0.277	S	S	*	.			trans	-85.4	-5.1	177.8	-61.9	0	0	0	0	113.9	R271	R271-V273 PolarHBondContact O-N 3.11Å
274	F	86.8	Confident	90.3	Very high	132 Å²	132	52.5 Å²	52.5	58%	0.579	29%	0.291	S	S	*	.			trans	-89.5	-10.8	-171.5	-59	-74.5	0	0	0	114.5	N276 D277 C278	F274-N276 PolarHBondContact O-N 3.45Å; F274-D277 WeakPolarHBondContact O-CA 3.18Å; F274-D277 PolarHBondContact O-N 3.1Å; F274-C278 HydrophobicContact CB-CB 3.86Å
275	G	84.4	Confident	90.2	Very high	12 Å²	12	53.1 Å²	53.1	12%	0.124	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	52	-134.9	179.5	0	0	0	0	0	112.9	H254 D277 C278 H282	H254-G275 PolarHBondContact CE1-O 2.88Å; G275-D277 PolarHBondContact O-N 2.72Å; G275-C278 PolarHBondContact O-N 2.86Å; G275-H282 PolarHBondContact O-CE1 3.21Å; G275-H282 PolarHBondContact O-ND1 3.44Å
276	N	85.4	Confident	90.3	Very high	84 Å²	84	52.6 Å²	52.6	45%	0.449	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.9	-19	174.2	-93.6	-21	0	0	0	115.2	Q252 H254 F274 C278	Q252-N276 PolarHBondContact OE1-ND2 3.45Å; H254-N276 PolarHBondContact ND1-OD1 2.98Å; F274-N276 PolarHBondContact O-N 3.45Å; N276-C278 PolarHBondContact O-N 2.89Å
277	D	89.5	Confident	90.6	Very high	153 Å²	153	48.7 Å²	48.7	82%	0.818	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-86	7.8	179.5	-61.9	-47.1	0	0	0	112.6	F274 G275 A279	F274-D277 WeakPolarHBondContact O-CA 3.18Å; F274-D277 PolarHBondContact O-N 3.1Å; G275-D277 PolarHBondContact O-N 2.72Å; D277-A279 PolarHBondContact O-N 3.27Å
278	C	93.2	Very high	90.9	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.027	27%	0.273	C	S	.	.			trans	-67.5	129	176.9	-160.2	0	0	0	0	111.6	H254 H256 C272 F274 G275 N276 H280 H282	H254-C278 PolarHBondContact NE2-O 2.97Å; H256-C278 PolarHBondContact CE1-O 2.86Å; H256-C278 VanDerWaalsContact CE1-O 3.25Å; H256-C278 PolarHBondContact NE2-O 2.64Å; C272-C278 VanDerWaalsContact SG-SG 3.68Å; F274-C278 HydrophobicContact CB-CB 3.86Å; G275-C278 PolarHBondContact O-N 2.86Å; N276-C278 PolarHBondContact O-N 2.89Å; C278-H280 PolarHBondContact O-N 2.99Å; C278-H282 VanDerWaalsContact CB-NE2 3.29Å; C278-H282 WeakPolarHBondContact CB-NE2 3.23Å
279	A	94.7	Very high	91.3	Very high	75 Å²	75	49.2 Å²	49.2	62%	0.62	27%	0.273	S	S	*	.	S	Bend	trans	-69.9	2.8	173.9	0	0	0	0	0	114.5	V261 D277	V261-A279 WeakPolarHBondContact CG1-O 3.38Å; D277-A279 PolarHBondContact O-N 3.27Å
280	H	95.8	Very high	91.7	Very high	87 Å²	87	47.2 Å²	47.2	40%	0.403	26%	0.263	S	S	.	.	S	Bend	trans	-119.5	158.3	-177.8	-63.8	98.1	0	0	0	110.3	H254 H256 D262 C264 C278	H254-H280 PolarHBondContact NE2-O 2.81Å; H254-H280 VanDerWaalsContact NE2-O 3.17Å; H256-H280 PolarHBondContact NE2-O 2.77Å; D262-H280 CarbonylContact O-C 3.59Å; D262-H280 WeakPolarHBondContact O-CA 3.47Å; D262-H280 WeakPolarHBondContact O-CB 3.46Å; C264-H280 HydrophobicContact CB-CB 3.65Å; C278-H280 PolarHBondContact O-N 2.99Å
281	H	95.8	Very high	92.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-70.1	135.6	177.7	-60.2	-90	0	0	0	112.1	T255 H256 V261 D262 I263 C264 T283 L351	T255-H281 WeakPolarHBondContact CA-ND1 3.32Å; T255-H281 WeakPolarHBondContact CB-ND1 3.39Å; H256-H281 PolarHBondContact N-CE1 2.86Å; H256-H281 PolarHBondContact N-ND1 3.17Å; H256-H281 PolarHBondContact O-CE1 3.31Å; H256-H281 VanDerWaalsContact O-CE1 3.27Å; V261-H281 PolarHBondContact O-CD2 2.92Å; V261-H281 PolarHBondContact O-NE2 3.43Å; D262-H281 PolarHBondContact O-N 3.08Å; I263-H281 HydrophobicContact CG1-CB 4.08Å; C264-H281 WeakPolarHBondContact CB-O 3.16Å; C264-H281 PolarHBondContact N-O 2.74Å; H281-T283 HydrophobicContact CB-CG2 4.14Å; H281-L351 HydrophobicContact CB-CD1 4.42Å; H281-L351 VanDerWaalsContact CE1-CD1 3.5Å; H281-L351 WeakPolarHBondContact CE1-CD1 3.28Å; H281-L351 WeakPolarHBondContact ND1-CD1 3.37Å; H281-L351 WeakPolarHBondContact NE2-CD2 3.36Å
282	H	94.3	Very high	92.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-101.3	99.1	169.3	-76.3	-168.1	0	0	0	109.5	Q252 Y253 H254 F267 C272 G275 C278	Q252-H282 WeakPolarHBondContact O-CB 3.49Å; Q252-H282 PolarHBondContact O-ND1 2.84Å; Y253-H282 WeakPolarHBondContact CA-O 3.21Å; H254-H282 AromaticContact CE1-CD2 3.78Å; H254-H282 AromaticContact CE1-CE1 3.86Å; H254-H282 AromaticContact CE1-CG 3.37Å; H254-H282 AromaticContact CE1-ND1 3.42Å; H254-H282 PolarHBondContact CE1-ND1 3.25Å; H254-H282 PolarHBondContact N-O 2.96Å; H254-H282 AromaticContact ND1-CG 3.66Å; H254-H282 AromaticContact ND1-ND1 3.64Å; H254-H282 PolarHBondContact O-N 2.71Å; F267-H282 HydrophobicContact CD1-CB 3.84Å; F267-H282 AromaticContact CD1-CG 3.99Å; F267-H282 HydrophobicContact CD2-CB 4.04Å; F267-H282 AromaticContact CD2-CD2 3.79Å; F267-H282 AromaticContact CD2-CE1 3.48Å; F267-H282 VanDerWaalsContact CD2-CE1 3.48Å; F267-H282 WeakPolarHBondContact CD2-CE1 3.17Å; F267-H282 AromaticContact CD2-CG 3.47Å; F267-H282 VanDerWaalsContact CD2-CG 3.47Å; F267-H282 AromaticContact CD2-ND1 3.28Å; F267-H282 VanDerWaalsContact CD2-ND1 3.28Å; F267-H282 WeakPolarHBondContact CD2-ND1 3.13Å; F267-H282 AromaticContact CD2-NE2 3.78Å; F267-H282 HydrophobicContact CE1-CB 3.8Å; F267-H282 HydrophobicContact CE2-CB 3.99Å; F267-H282 AromaticContact CE2-CG 3.8Å; F267-H282 AromaticContact CE2-ND1 3.49Å; F267-H282 WeakPolarHBondContact CE2-ND1 3.4Å; F267-H282 HydrophobicContact CG-CB 3.96Å; F267-H282 AromaticContact CG-CD2 3.6Å; F267-H282 AromaticContact CG-CG 3.56Å; F267-H282 AromaticContact CG-ND1 3.88Å; F267-H282 AromaticContact CG-NE2 3.91Å; F267-H282 HydrophobicContact CZ-CB 3.87Å; C272-H282 PolarHBondContact SG-NE2 3.47Å; G275-H282 PolarHBondContact O-CE1 3.21Å; G275-H282 PolarHBondContact O-ND1 3.44Å; C278-H282 VanDerWaalsContact CB-NE2 3.29Å; C278-H282 WeakPolarHBondContact CB-NE2 3.23Å
283	T	92.9	Very high	93.1	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.031	22%	0.224	C	C	.	.			trans	-124.2	162.7	-176	55.2	0	0	0	0	111.7	T255 I263 F267 L268 H281 L285 H288	T255-T283 HydrophobicContact CG2-CG2 3.98Å; I263-T283 WeakPolarHBondContact CD1-OG1 3.44Å; I263-T283 HydrophobicContact CG1-CG2 4.49Å; I263-T283 WeakPolarHBondContact CG2-OG1 3.3Å; F267-T283 WeakPolarHBondContact CE1-O 3.49Å; L268-T283 WeakPolarHBondContact CD2-O 3.49Å; H281-T283 HydrophobicContact CB-CG2 4.14Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact OG1-O 2.86Å; T283-H288 HydrophobicContact CG2-CB 3.65Å
284	V	90.3	Very high	93.5	Very high	50 Å²	50	37 Å²	37	30%	0.303	20%	0.2	S	C	.	.	S	Bend	trans	-72.4	-27.1	-177.3	-178.9	0	0	0	0	112.8	Y253 L455	Y253-V284 HydrophobicContact CD1-CG2 3.97Å; Y253-V284 HydrophobicContact CE1-CB 4.37Å; Y253-V284 HydrophobicContact CE1-CG2 3.6Å; V284-L455 HydrophobicContact CG1-CD1 3.97Å; V284-L455 HydrophobicContact CG1-CD2 3.67Å; V284-L455 HydrophobicContact CG1-CG 4.03Å
285	L	92.8	Very high	93.8	Very high	20 Å²	20	36.7 Å²	36.7	11%	0.105	21%	0.205	C	C	.	.	S	Bend	trans	-131.7	161.1	-174.6	-66.7	175.8	0	0	0	110.5	T283 Y287 L448 L452	T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact OG1-O 2.86Å; L285-Y287 HydrophobicContact CB-CD2 4.31Å; L285-Y287 HydrophobicContact CB-CE2 4.19Å; L285-Y287 WeakPolarHBondContact CB-O 3.29Å; L285-Y287 HydrophobicContact CD1-CD2 4.39Å; L285-Y287 HydrophobicContact CD1-CE2 3.62Å; L285-Y287 PolarHBondContact O-N 3Å; L285-Y287 VanDerWaalsContact O-N 3.09Å; L285-L448 HydrophobicContact CD2-CD1 4.31Å; L285-L452 HydrophobicContact CD2-CD1 3.84Å
286	P	94.1	Very high	94.3	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.045	22%	0.221	C	C	.	.	S	Bend	trans	-71.8	6.2	176.1	31.5	-37.1	0	0	0	114.6	L268 T353 C371 L448	L268-P286 HydrophobicContact CD1-CB 3.96Å; P286-T353 HydrophobicContact CB-CG2 3.79Å; P286-T353 PolarHBondContact O-N 3.37Å; P286-T353 PolarHBondContact O-OG1 3.25Å; P286-C371 WeakPolarHBondContact CB-O 3.46Å; P286-L448 HydrophobicContact CG-CD1 3.73Å; P286-L448 HydrophobicContact CG-CD2 4.16Å
287	Y	95.6	Very high	94.8	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.3	168.8	45.9	-94.9	0	0	0	108.2	L285 E311 L351 M443 L448	L285-Y287 HydrophobicContact CB-CD2 4.31Å; L285-Y287 HydrophobicContact CB-CE2 4.19Å; L285-Y287 WeakPolarHBondContact CB-O 3.29Å; L285-Y287 HydrophobicContact CD1-CD2 4.39Å; L285-Y287 HydrophobicContact CD1-CE2 3.62Å; L285-Y287 PolarHBondContact O-N 3Å; L285-Y287 VanDerWaalsContact O-N 3.09Å; Y287-E311 HydrophobicContact CD1-CG 3.88Å; Y287-E311 HydrophobicContact CD2-CB 3.81Å; Y287-E311 HydrophobicContact CD2-CG 3.7Å; Y287-E311 HydrophobicContact CE1-CG 3.93Å; Y287-E311 HydrophobicContact CE2-CB 3.73Å; Y287-E311 HydrophobicContact CE2-CG 3.75Å; Y287-E311 HydrophobicContact CG-CB 4.38Å; Y287-E311 VanDerWaalsContact CG-CD 3.49Å; Y287-E311 HydrophobicContact CG-CG 3.77Å; Y287-L351 WeakPolarHBondContact CA-O 3.26Å; Y287-M443 VanDerWaalsContact CE1-O 3.27Å; Y287-M443 WeakPolarHBondContact CE1-O 3.46Å; Y287-M443 PolarHBondContact OH-O 3.43Å; Y287-L448 HydrophobicContact CE1-CD1 4.08Å
288	H	96.9	Very high	95.1	Very high	16 Å²	16	35 Å²	35	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	128.5	173.9	-170	83.8	0	0	0	110.7	I263 T283 S301 Q307 L351	I263-H288 HydrophobicContact CD1-CB 4.33Å; T283-H288 HydrophobicContact CG2-CB 3.65Å; H288-S301 WeakPolarHBondContact NE2-CB 3.41Å; H288-S301 PolarHBondContact NE2-OG 3.06Å; H288-Q307 PolarHBondContact CE1-NE2 3.34Å; H288-L351 HydrophobicContact CB-CB 4.18Å; H288-L351 HydrophobicContact CB-CD1 4.2Å; H288-L351 PolarHBondContact N-O 3.35Å; H288-L351 VanDerWaalsContact O-CB 3.29Å; H288-L351 WeakPolarHBondContact O-CB 3.41Å; H288-L351 WeakPolarHBondContact O-CG 3.25Å; H288-L351 PolarHBondContact O-N 3.18Å
289	W	98	Very high	95.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.6	-172.9	-70	85.5	0	0	0	111.5	I302 Q307 L310 E311 Y314 F335 M338 I348 R349 R350	W289-I302 HydrophobicContact CB-CD1 4.2Å; W289-I302 PolarHBondContact O-N 2.81Å; W289-I302 VanDerWaalsContact O-N 3.1Å; W289-Q307 PolarHBondContact O-NE2 2.95Å; W289-L310 HydrophobicContact CB-CD2 3.86Å; W289-L310 HydrophobicContact CD2-CD2 3.48Å; W289-L310 VanDerWaalsContact CD2-CD2 3.48Å; W289-L310 HydrophobicContact CD2-CG 3.79Å; W289-L310 HydrophobicContact CE3-CD2 3.5Å; W289-L310 VanDerWaalsContact CE3-CD2 3.5Å; W289-L310 HydrophobicContact CE3-CG 3.99Å; W289-L310 HydrophobicContact CG-CB 4.47Å; W289-L310 HydrophobicContact CG-CD2 3.67Å; W289-L310 HydrophobicContact CG-CG 4.17Å; W289-L310 HydrophobicContact CH2-CG 4.45Å; W289-L310 HydrophobicContact CZ2-CG 4.29Å; W289-L310 HydrophobicContact CZ3-CD2 4.17Å; W289-L310 HydrophobicContact CZ3-CG 4.32Å; W289-E311 PolarHBondContact NE1-OE2 3.32Å; W289-Y314 AromaticContact CH2-CD1 3.71Å; W289-Y314 HydrophobicContact CH2-CD1 3.71Å; W289-Y314 HydrophobicContact CH2-CD2 4.03Å; W289-Y314 HydrophobicContact CH2-CE1 4.31Å; W289-Y314 AromaticContact CH2-CG 3.54Å; W289-Y314 HydrophobicContact CH2-CG 3.54Å; W289-Y314 AromaticContact CZ2-CD1 3.58Å; W289-Y314 HydrophobicContact CZ2-CD1 3.58Å; W289-Y314 HydrophobicContact CZ2-CE1 4.43Å; W289-Y314 AromaticContact CZ2-CG 3.67Å; W289-Y314 HydrophobicContact CZ2-CG 3.67Å; W289-F335 HydrophobicContact CH2-CD1 4.42Å; W289-F335 HydrophobicContact CH2-CE1 4.12Å; W289-F335 HydrophobicContact CZ3-CE1 4.49Å; W289-M338 HydrophobicContact CH2-CE 4.16Å; W289-M338 HydrophobicContact CZ3-CE 4.26Å; W289-M338 HydrophobicContact CZ3-SD 4.27Å; W289-I348 HydrophobicContact CE3-CD1 3.9Å; W289-I348 HydrophobicContact CE3-CG1 4.12Å; W289-I348 HydrophobicContact CE3-CG2 4.48Å; W289-I348 HydrophobicContact CZ3-CD1 4.34Å; W289-I348 HydrophobicContact CZ3-CG2 4.14Å; W289-R349 WeakPolarHBondContact CA-O 3.46Å; W289-R350 HydrophobicContact CD2-CB 3.92Å; W289-R350 HydrophobicContact CD2-CG 4.23Å; W289-R350 HydrophobicContact CE3-CB 3.92Å; W289-R350 HydrophobicContact CH2-CB 3.84Å; W289-R350 HydrophobicContact CH2-CG 4.4Å; W289-R350 HydrophobicContact CZ2-CB 3.79Å; W289-R350 HydrophobicContact CZ2-CG 3.85Å; W289-R350 HydrophobicContact CZ3-CB 3.9Å
290	Q	97.8	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.7	179.3	-53.8	-165.7	-59.6	0	0	110.6	T255 W299 Q300 S301 I348 R349 L351	T255-Q290 PolarHBondContact OG1-NE2 2.79Å; Q290-W299 HydrophobicContact CB-CB 4.32Å; Q290-W299 HydrophobicContact CB-CE3 4.13Å; Q290-W299 WeakPolarHBondContact O-CZ3 3.37Å; Q290-Q300 CarbonylContact C-O 3.55Å; Q290-Q300 WeakPolarHBondContact CA-O 3.48Å; Q290-Q300 WeakPolarHBondContact CB-O 3.28Å; Q290-S301 PolarHBondContact NE2-OG 3.01Å; Q290-S301 VanDerWaalsContact NE2-OG 3.13Å; Q290-I348 CarbonylContact O-C 3.53Å; Q290-I348 WeakPolarHBondContact O-CA 3.37Å; Q290-I348 WeakPolarHBondContact O-CG1 3.47Å; Q290-R349 HydrophobicContact CB-CG 4.18Å; Q290-R349 PolarHBondContact N-O 3.34Å; Q290-R349 PolarHBondContact O-N 2.87Å; Q290-R349 VanDerWaalsContact OE1-NE 3.17Å; Q290-L351 HydrophobicContact CG-CD1 4.25Å; Q290-L351 HydrophobicContact CG-CG 4.47Å
291	I	97.3	Very high	95.4	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.2	175.7	-162.7	171.5	0	0	0	109.4	Q300 I302 L324 F331 V340 F345 I348 V701	I291-Q300 PolarHBondContact N-O 2.9Å; I291-Q300 PolarHBondContact O-N 3.45Å; I291-I302 HydrophobicContact CB-CD1 4.26Å; I291-I302 HydrophobicContact CB-CG1 4.28Å; I291-I302 HydrophobicContact CG2-CG1 4.26Å; I291-L324 HydrophobicContact CD1-CD1 4.25Å; I291-F331 HydrophobicContact CD1-CE2 4.29Å; I291-F331 HydrophobicContact CD1-CZ 4.44Å; I291-V340 HydrophobicContact CD1-CG2 4.47Å; I291-F345 HydrophobicContact CB-CD1 4.35Å; I291-F345 HydrophobicContact CD1-CB 3.68Å; I291-F345 HydrophobicContact CD1-CD1 3.71Å; I291-F345 HydrophobicContact CD1-CD2 4.05Å; I291-F345 HydrophobicContact CD1-CE1 4.33Å; I291-F345 HydrophobicContact CD1-CG 3.54Å; I291-F345 HydrophobicContact CG1-CB 3.86Å; I291-F345 HydrophobicContact CG1-CD1 3.68Å; I291-F345 HydrophobicContact CG1-CE1 4.45Å; I291-F345 HydrophobicContact CG1-CG 3.9Å; I291-F345 HydrophobicContact CG2-CD1 3.87Å; I291-F345 HydrophobicContact CG2-CE1 3.82Å; I291-I348 HydrophobicContact CB-CG1 4.48Å; I291-V701 HydrophobicContact CD1-CG2 4.24Å
292	R	97	Very high	95.3	Very high	42 Å²	42	34.8 Å²	34.8	16%	0.158	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.2	-178.4	-168.8	171.9	67.2	179.5	13.5	111.2	Q297 T298 W299 F345 D346 C347	R292-Q297 WeakPolarHBondContact CD-O 3.44Å; R292-T298 WeakPolarHBondContact CA-O 3.35Å; R292-W299 HydrophobicContact CB-CD2 3.93Å; R292-W299 HydrophobicContact CB-CE3 3.59Å; R292-W299 HydrophobicContact CB-CH2 3.97Å; R292-W299 HydrophobicContact CB-CZ2 4.28Å; R292-W299 HydrophobicContact CB-CZ3 3.6Å; R292-W299 HydrophobicContact CG-CD2 4.26Å; R292-W299 HydrophobicContact CG-CE3 4.41Å; R292-F345 VanDerWaalsContact O-CA 3.25Å; R292-F345 WeakPolarHBondContact O-CA 3.31Å; R292-F345 WeakPolarHBondContact O-CD1 3.46Å; R292-D346 IonicContact CZ-OD1 3.7Å; R292-D346 IonicContact CZ-OD2 3.55Å; R292-D346 IonicContact NE-OD1 3.7Å; R292-D346 PolarHBondContact NE-OD1 2.76Å; R292-D346 IonicContact NE-OD2 3.32Å; R292-D346 PolarHBondContact NE-OD2 2.87Å; R292-D346 IonicContact NH2-OD1 2.69Å; R292-D346 PolarHBondContact NH2-OD1 2.71Å; R292-D346 IonicContact NH2-OD2 2.64Å; R292-D346 PolarHBondContact NH2-OD2 2.82Å; R292-D346 PolarHBondContact O-N 3.43Å; R292-C347 HydrophobicContact CB-CB 4.35Å; R292-C347 PolarHBondContact N-O 3.04Å
293	R	95.7	Very high	95.2	Very high	42 Å²	42	37.5 Å²	37.5	16%	0.158	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	126	172	-78.3	-177.7	169.4	-84	-17.7	111.1	N295 T296 Q297 T298 Q300 Y326 E344 F345	R293-N295 VanDerWaalsContact C-N 3.28Å; R293-N295 PolarHBondContact O-N 3.45Å; R293-T296 WeakPolarHBondContact CB-OG1 3.49Å; R293-Q297 WeakPolarHBondContact O-CA 3.34Å; R293-Q297 PolarHBondContact O-N 3.02Å; R293-T298 PolarHBondContact N-O 2.7Å; R293-Q300 VanDerWaalsContact NE-CD 3.33Å; R293-Y326 PolarHBondContact NH2-OH 2.85Å; R293-E344 CarbonylContact C-O 3.56Å; R293-E344 WeakPolarHBondContact CA-O 3.12Å; R293-E344 IonicContact CZ-OE1 2.67Å; R293-E344 IonicContact NH1-OE1 3.38Å; R293-E344 PolarHBondContact NH1-OE1 2.88Å; R293-E344 IonicContact NH2-OE1 3.32Å; R293-E344 PolarHBondContact NH2-OE1 3.41Å; R293-F345 HydrophobicContact CG-CD1 4.2Å; R293-F345 HydrophobicContact CG-CE1 3.93Å
294	S	94.5	Very high	95	Very high	39 Å²	39	42.8 Å²	42.8	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.3	-176.5	-52.6	0	0	0	0	113	Q297 E344 F345 D346	S294-Q297 PolarHBondContact O-NE2 3.15Å; S294-E344 PolarHBondContact N-O 2.79Å; S294-E344 PolarHBondContact OG-O 2.92Å; S294-F345 WeakPolarHBondContact OG-CA 3.26Å; S294-F345 PolarHBondContact OG-N 3.03Å; S294-D346 PolarHBondContact OG-N 2.91Å
295	N	94.5	Very high	94.8	Very high	126 Å²	126	47.9 Å²	47.9	67%	0.674	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-36.1	-173.2	66	-26.5	0	0	0	114.6	R293	R293-N295 VanDerWaalsContact C-N 3.28Å; R293-N295 PolarHBondContact O-N 3.45Å
296	T	95.2	Very high	94.9	Very high	75 Å²	75	47.3 Å²	47.3	46%	0.46	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-12.3	179.4	55	0	0	0	0	113.2	R293 T298	R293-T296 WeakPolarHBondContact CB-OG1 3.49Å; T296-T298 PolarHBondContact O-N 3.29Å; T296-T298 VanDerWaalsContact O-N 3.09Å; T296-T298 PolarHBondContact OG1-OG1 2.85Å
297	Q	94.8	Very high	95	Very high	89 Å²	89	47.2 Å²	47.2	42%	0.416	26%	0.26	S	S	.	.			trans	55.4	17.8	-171.2	-64.3	-70.6	-63.3	0	0	114.1	R292 R293 S294 D346	R292-Q297 WeakPolarHBondContact CD-O 3.44Å; R293-Q297 WeakPolarHBondContact O-CA 3.34Å; R293-Q297 PolarHBondContact O-N 3.02Å; S294-Q297 PolarHBondContact O-NE2 3.15Å; Q297-D346 PolarHBondContact NE2-OD2 2.88Å
298	T	96.4	Very high	94.9	Very high	51 Å²	51	48.3 Å²	48.3	31%	0.313	27%	0.265	S	S	.	.			trans	-86.9	135.5	178.2	56.4	0	0	0	0	111.9	R292 R293 T296	R292-T298 WeakPolarHBondContact CA-O 3.35Å; R293-T298 PolarHBondContact N-O 2.7Å; T296-T298 PolarHBondContact O-N 3.29Å; T296-T298 VanDerWaalsContact O-N 3.09Å; T296-T298 PolarHBondContact OG1-OG1 2.85Å
299	W	97.6	Very high	94.9	Very high	19 Å²	19	48.4 Å²	48.4	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.9	170.7	-64.5	104.2	0	0	0	111.8	Q257 D259 Q290 R292 C347 I348 R349	Q257-W299 PolarHBondContact NE2-O 2.74Å; Q257-W299 VanDerWaalsContact O-CD1 3.23Å; D259-W299 VanDerWaalsContact OD1-CE2 3.27Å; D259-W299 VanDerWaalsContact OD1-CZ2 3.3Å; D259-W299 WeakPolarHBondContact OD1-CZ2 3.39Å; D259-W299 PolarHBondContact OD1-NE1 2.83Å; Q290-W299 HydrophobicContact CB-CB 4.32Å; Q290-W299 HydrophobicContact CB-CE3 4.13Å; Q290-W299 WeakPolarHBondContact O-CZ3 3.37Å; R292-W299 HydrophobicContact CB-CD2 3.93Å; R292-W299 HydrophobicContact CB-CE3 3.59Å; R292-W299 HydrophobicContact CB-CH2 3.97Å; R292-W299 HydrophobicContact CB-CZ2 4.28Å; R292-W299 HydrophobicContact CB-CZ3 3.6Å; R292-W299 HydrophobicContact CG-CD2 4.26Å; R292-W299 HydrophobicContact CG-CE3 4.41Å; W299-C347 HydrophobicContact CH2-CB 3.93Å; W299-C347 HydrophobicContact CZ3-CB 4.45Å; W299-I348 VanDerWaalsContact CZ3-C 3.44Å; W299-R349 VanDerWaalsContact CD1-NH1 3.28Å; W299-R349 HydrophobicContact CD2-CG 4.06Å; W299-R349 HydrophobicContact CE3-CB 4.42Å; W299-R349 HydrophobicContact CE3-CG 3.67Å; W299-R349 VanDerWaalsContact CG-CZ 3.44Å; W299-R349 HydrophobicContact CH2-CB 3.75Å; W299-R349 HydrophobicContact CH2-CG 3.86Å; W299-R349 HydrophobicContact CZ2-CB 4.32Å; W299-R349 HydrophobicContact CZ2-CG 4.21Å; W299-R349 HydrophobicContact CZ3-CB 3.82Å; W299-R349 HydrophobicContact CZ3-CG 3.59Å; W299-R349 VanDerWaalsContact NE1-NH1 3.19Å
300	Q	95.4	Very high	94.9	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.6	178.4	-59.6	-168.1	-28.8	0	0	109.7	Q290 I291 R293	Q290-Q300 CarbonylContact C-O 3.55Å; Q290-Q300 WeakPolarHBondContact CA-O 3.48Å; Q290-Q300 WeakPolarHBondContact CB-O 3.28Å; I291-Q300 PolarHBondContact N-O 2.9Å; I291-Q300 PolarHBondContact O-N 3.45Å; R293-Q300 VanDerWaalsContact NE-CD 3.33Å
301	S	95.9	Very high	94.8	Very high	61 Å²	61	48.5 Å²	48.5	43%	0.427	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	132.3	177.9	-65	0	0	0	0	111.4	H288 Q290	H288-S301 WeakPolarHBondContact NE2-CB 3.41Å; H288-S301 PolarHBondContact NE2-OG 3.06Å; Q290-S301 PolarHBondContact NE2-OG 3.01Å; Q290-S301 VanDerWaalsContact NE2-OG 3.13Å
302	I	95.4	Very high	94.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-71.8	148.4	168.9	-71.8	169.4	0	0	0	109	W289 I291 Q307 L310 I348 V701	W289-I302 HydrophobicContact CB-CD1 4.2Å; W289-I302 PolarHBondContact O-N 2.81Å; W289-I302 VanDerWaalsContact O-N 3.1Å; I291-I302 HydrophobicContact CB-CD1 4.26Å; I291-I302 HydrophobicContact CB-CG1 4.28Å; I291-I302 HydrophobicContact CG2-CG1 4.26Å; I302-Q307 PolarHBondContact O-NE2 2.86Å; I302-L310 HydrophobicContact CD1-CD2 3.92Å; I302-I348 HydrophobicContact CD1-CD1 3.62Å; I302-I348 HydrophobicContact CD1-CG1 4.21Å; I302-V701 HydrophobicContact CD1-CB 4.45Å; I302-V701 HydrophobicContact CD1-CG1 3.79Å; I302-V701 HydrophobicContact CG1-CB 4.2Å; I302-V701 HydrophobicContact CG1-CG1 4.02Å; I302-V701 HydrophobicContact CG2-CG1 4.15Å
303	A	91.5	Very high	94.8	Very high	58 Å²	58	47 Å²	47	48%	0.479	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-54.5	142.9	-179.6	0	0	0	0	0	113.2	D305 S306 Q307	A303-D305 PolarHBondContact O-N 2.86Å; A303-S306 WeakPolarHBondContact O-CA 3.39Å; A303-S306 WeakPolarHBondContact O-CB 3.47Å; A303-S306 PolarHBondContact O-N 3.34Å; A303-Q307 PolarHBondContact O-N 3.29Å
304	D	87.5	Confident	94.9	Very high	116 Å²	116	46 Å²	46	62%	0.62	26%	0.256	S	S	*	.	H	α-helix	trans	-60.7	-39.1	-169.1	-60.9	-46.1	0	0	0	113.8	S306 Q307	D304-S306 PolarHBondContact O-N 2.79Å; D304-Q307 VanDerWaalsContact O-CB 3.31Å; D304-Q307 WeakPolarHBondContact O-CB 3.4Å; D304-Q307 PolarHBondContact O-N 2.71Å; D304-Q307 VanDerWaalsContact O-N 3.12Å
305	D	86.6	Confident	95	Very high	157 Å²	157	44.4 Å²	44.4	84%	0.84	25%	0.245	S	C	*	.	H	α-helix	trans	-58.4	-29.1	174.1	-73.9	-30.8	0	0	0	113.1	A303	A303-D305 PolarHBondContact O-N 2.86Å
306	S	95.3	Very high	95.1	Very high	8 Å²	8	38.7 Å²	38.7	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-88.2	-19.4	179.9	-79.2	0	0	0	0	113.5	A303 D304 E308 Q309 L310 V699 A700	A303-S306 WeakPolarHBondContact O-CA 3.39Å; A303-S306 WeakPolarHBondContact O-CB 3.47Å; A303-S306 PolarHBondContact O-N 3.34Å; D304-S306 PolarHBondContact O-N 2.79Å; S306-E308 PolarHBondContact O-N 2.88Å; S306-Q309 PolarHBondContact O-N 3.32Å; S306-L310 WeakPolarHBondContact O-CB 3.47Å; S306-L310 PolarHBondContact O-N 2.89Å; S306-V699 WeakPolarHBondContact OG-CG1 3.3Å; S306-A700 WeakPolarHBondContact CB-O 3.24Å; S306-A700 PolarHBondContact OG-O 3.48Å
307	Q	95.6	Very high	95.1	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-54.9	-53.5	179.5	-68.6	-68.8	-17.5	0	0	111.6	H288 W289 I302 A303 D304 Q309 L310 E311	H288-Q307 PolarHBondContact CE1-NE2 3.34Å; W289-Q307 PolarHBondContact O-NE2 2.95Å; I302-Q307 PolarHBondContact O-NE2 2.86Å; A303-Q307 PolarHBondContact O-N 3.29Å; D304-Q307 VanDerWaalsContact O-CB 3.31Å; D304-Q307 WeakPolarHBondContact O-CB 3.4Å; D304-Q307 PolarHBondContact O-N 2.71Å; D304-Q307 VanDerWaalsContact O-N 3.12Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 3.48Å; Q307-L310 PolarHBondContact O-N 2.92Å; Q307-E311 WeakPolarHBondContact O-CB 3.44Å; Q307-E311 PolarHBondContact O-N 2.88Å
308	E	94.6	Very high	95	Very high	26 Å²	26	34.8 Å²	34.8	12%	0.121	20%	0.195	C	C	.	.	H	α-helix	trans	-73.7	-23.8	-179	-157.4	-170.2	69.1	0	0	112.5	S306 R312 F442 S444 S445	S306-E308 PolarHBondContact O-N 2.88Å; E308-R312 VanDerWaalsContact O-CG 3.3Å; E308-R312 WeakPolarHBondContact O-CG 3.43Å; E308-R312 PolarHBondContact O-N 3.3Å; E308-R312 PolarHBondContact O-NH1 2.76Å; E308-R312 IonicContact OE1-CZ 2.7Å; E308-R312 IonicContact OE1-NH1 3.47Å; E308-R312 PolarHBondContact OE1-NH1 3.24Å; E308-R312 IonicContact OE1-NH2 3.94Å; E308-R312 PolarHBondContact OE1-NH2 3.12Å; E308-R312 IonicContact OE2-NH2 2.83Å; E308-F442 HydrophobicContact CG-CE2 4.14Å; E308-F442 HydrophobicContact CG-CZ 3.87Å; E308-S444 WeakPolarHBondContact OE2-CA 2.97Å; E308-S445 VanDerWaalsContact OE2-CB 3.28Å; E308-S445 WeakPolarHBondContact OE2-CB 3.34Å; E308-S445 PolarHBondContact OE2-N 2.86Å; E308-S445 PolarHBondContact OE2-OG 2.97Å
309	Q	96.4	Very high	94.9	Very high	19 Å²	19	34.7 Å²	34.7	9%	0.089	19%	0.191	C	C	.	.	H	α-helix	trans	-73.7	-42.8	174.6	-170.8	177.5	-40.1	0	0	111.2	S306 Q307 R312 L313 V695 P696 T698 V699	S306-Q309 PolarHBondContact O-N 3.32Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 3.48Å; Q309-R312 PolarHBondContact O-N 2.77Å; Q309-L313 HydrophobicContact CG-CD1 4.46Å; Q309-L313 WeakPolarHBondContact O-CG 3.33Å; Q309-L313 PolarHBondContact O-N 3.06Å; Q309-L313 VanDerWaalsContact O-N 3.17Å; Q309-V695 HydrophobicContact CG-CG1 4.07Å; Q309-P696 PolarHBondContact NE2-O 2.77Å; Q309-T698 PolarHBondContact NE2-O 2.8Å; Q309-V699 HydrophobicContact CG-CG2 4.15Å
310	L	97	Very high	94.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70.1	-40.2	178.6	-172.1	59.1	0	0	0	111.7	W289 I302 S306 Q307 R312 L313 Y314 V322 L324 L333 F335 I348 V699	W289-L310 HydrophobicContact CB-CD2 3.86Å; W289-L310 HydrophobicContact CD2-CD2 3.48Å; W289-L310 VanDerWaalsContact CD2-CD2 3.48Å; W289-L310 HydrophobicContact CD2-CG 3.79Å; W289-L310 HydrophobicContact CE3-CD2 3.5Å; W289-L310 VanDerWaalsContact CE3-CD2 3.5Å; W289-L310 HydrophobicContact CE3-CG 3.99Å; W289-L310 HydrophobicContact CG-CB 4.47Å; W289-L310 HydrophobicContact CG-CD2 3.67Å; W289-L310 HydrophobicContact CG-CG 4.17Å; W289-L310 HydrophobicContact CH2-CG 4.45Å; W289-L310 HydrophobicContact CZ2-CG 4.29Å; W289-L310 HydrophobicContact CZ3-CD2 4.17Å; W289-L310 HydrophobicContact CZ3-CG 4.32Å; I302-L310 HydrophobicContact CD1-CD2 3.92Å; S306-L310 WeakPolarHBondContact O-CB 3.47Å; S306-L310 PolarHBondContact O-N 2.89Å; Q307-L310 PolarHBondContact O-N 2.92Å; L310-R312 PolarHBondContact O-N 2.94Å; L310-L313 PolarHBondContact O-N 3.35Å; L310-Y314 WeakPolarHBondContact O-CB 3.49Å; L310-Y314 PolarHBondContact O-N 2.92Å; L310-V322 HydrophobicContact CD1-CG1 4.03Å; L310-L324 HydrophobicContact CD1-CD2 4.46Å; L310-L333 HydrophobicContact CD1-CD2 4.15Å; L310-F335 HydrophobicContact CD1-CE1 3.82Å; L310-F335 HydrophobicContact CD1-CZ 3.85Å; L310-I348 HydrophobicContact CD2-CD1 3.57Å; L310-V699 HydrophobicContact CB-CG1 4.38Å; L310-V699 HydrophobicContact CD1-CG2 4.31Å
311	E	97.4	Very high	94.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-42.7	172.8	-172.3	73	176.9	0	0	111.6	Y287 W289 Q307 L313 Y314 C315 R350 F442	Y287-E311 HydrophobicContact CD1-CG 3.88Å; Y287-E311 HydrophobicContact CD2-CB 3.81Å; Y287-E311 HydrophobicContact CD2-CG 3.7Å; Y287-E311 HydrophobicContact CE1-CG 3.93Å; Y287-E311 HydrophobicContact CE2-CB 3.73Å; Y287-E311 HydrophobicContact CE2-CG 3.75Å; Y287-E311 HydrophobicContact CG-CB 4.38Å; Y287-E311 VanDerWaalsContact CG-CD 3.49Å; Y287-E311 HydrophobicContact CG-CG 3.77Å; W289-E311 PolarHBondContact NE1-OE2 3.32Å; Q307-E311 WeakPolarHBondContact O-CB 3.44Å; Q307-E311 PolarHBondContact O-N 2.88Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 2.86Å; E311-Y314 PolarHBondContact O-N 2.78Å; E311-C315 VanDerWaalsContact O-CB 3.26Å; E311-C315 WeakPolarHBondContact O-CB 3.48Å; E311-C315 PolarHBondContact O-N 2.67Å; E311-C315 PolarHBondContact O-SG 3.38Å; E311-R350 VanDerWaalsContact CD-NE 3.26Å; E311-R350 IonicContact OE1-CZ 2.87Å; E311-R350 VanDerWaalsContact OE1-CZ 3.23Å; E311-R350 IonicContact OE1-NE 2.71Å; E311-R350 PolarHBondContact OE1-NE 3.41Å; E311-R350 IonicContact OE1-NH2 3.73Å; E311-R350 PolarHBondContact OE1-NH2 3.14Å; E311-R350 WeakPolarHBondContact OE2-CD 3.26Å; E311-R350 IonicContact OE2-CZ 2.74Å; E311-R350 IonicContact OE2-NE 3.64Å; E311-R350 PolarHBondContact OE2-NE 2.95Å; E311-F442 HydrophobicContact CB-CD2 4.35Å; E311-F442 HydrophobicContact CB-CE2 4.18Å; E311-F442 HydrophobicContact CG-CD2 3.83Å; E311-F442 HydrophobicContact CG-CE2 4.01Å
312	R	97	Very high	94.8	Very high	11 Å²	11	35.5 Å²	35.5	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-57	-47.2	174.1	-82.9	-176.7	-177.9	92.1	6.2	112.5	E308 Q309 L310 N316 F442 E531 T532 V695	E308-R312 VanDerWaalsContact O-CG 3.3Å; E308-R312 WeakPolarHBondContact O-CG 3.43Å; E308-R312 PolarHBondContact O-N 3.3Å; E308-R312 PolarHBondContact O-NH1 2.76Å; E308-R312 IonicContact OE1-CZ 2.7Å; E308-R312 IonicContact OE1-NH1 3.47Å; E308-R312 PolarHBondContact OE1-NH1 3.24Å; E308-R312 IonicContact OE1-NH2 3.94Å; E308-R312 PolarHBondContact OE1-NH2 3.12Å; E308-R312 IonicContact OE2-NH2 2.83Å; Q309-R312 PolarHBondContact O-N 2.77Å; L310-R312 PolarHBondContact O-N 2.94Å; R312-N316 PolarHBondContact O-N 3.02Å; R312-F442 HydrophobicContact CB-CD2 4.43Å; R312-F442 HydrophobicContact CB-CE2 4.22Å; R312-F442 HydrophobicContact CG-CD1 4.38Å; R312-F442 HydrophobicContact CG-CD2 3.85Å; R312-F442 HydrophobicContact CG-CE1 3.9Å; R312-F442 HydrophobicContact CG-CE2 3.35Å; R312-F442 HydrophobicContact CG-CG 4.36Å; R312-F442 HydrophobicContact CG-CZ 3.38Å; R312-E531 WeakPolarHBondContact CD-O 3.47Å; R312-E531 WeakPolarHBondContact CG-O 3.45Å; R312-E531 PolarHBondContact NE-O 2.66Å; R312-E531 VanDerWaalsContact NE-O 3.12Å; R312-T532 VanDerWaalsContact O-CB 3.31Å; R312-T532 WeakPolarHBondContact O-CB 3.45Å; R312-T532 WeakPolarHBondContact O-CG2 3.4Å; R312-V695 HydrophobicContact CB-CG1 4.17Å; R312-V695 HydrophobicContact CB-CG2 4.47Å
313	L	97.6	Very high	94.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-68.8	-42.3	-177.8	-69.1	169.8	0	0	0	111.1	Q309 L310 E311 N316 Q319 V322 F335 V695 V699	Q309-L313 HydrophobicContact CG-CD1 4.46Å; Q309-L313 WeakPolarHBondContact O-CG 3.33Å; Q309-L313 PolarHBondContact O-N 3.06Å; Q309-L313 VanDerWaalsContact O-N 3.17Å; L310-L313 PolarHBondContact O-N 3.35Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 2.86Å; L313-N316 WeakPolarHBondContact O-CB 3.48Å; L313-N316 PolarHBondContact O-N 3.32Å; L313-Q319 HydrophobicContact CD2-CG 4.35Å; L313-Q319 VanDerWaalsContact O-CB 3.3Å; L313-Q319 WeakPolarHBondContact O-CB 3.38Å; L313-V322 HydrophobicContact CD1-CB 4.48Å; L313-V322 HydrophobicContact CD1-CG2 3.64Å; L313-F335 HydrophobicContact CB-CE2 4.18Å; L313-F335 HydrophobicContact CB-CZ 4.01Å; L313-V695 HydrophobicContact CD2-CB 4.44Å; L313-V695 HydrophobicContact CD2-CG1 3.85Å; L313-V695 HydrophobicContact CG-CG1 3.93Å; L313-V699 HydrophobicContact CD1-CG2 3.73Å
314	Y	97.4	Very high	95.1	Very high	22 Å²	22	39.1 Å²	39.1	9%	0.086	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-51.1	175.8	-178.9	-127.2	0	0	0	111.4	W289 L310 E311 N316 F335 M338 R439 P440	W289-Y314 AromaticContact CH2-CD1 3.71Å; W289-Y314 HydrophobicContact CH2-CD1 3.71Å; W289-Y314 HydrophobicContact CH2-CD2 4.03Å; W289-Y314 HydrophobicContact CH2-CE1 4.31Å; W289-Y314 AromaticContact CH2-CG 3.54Å; W289-Y314 HydrophobicContact CH2-CG 3.54Å; W289-Y314 AromaticContact CZ2-CD1 3.58Å; W289-Y314 HydrophobicContact CZ2-CD1 3.58Å; W289-Y314 HydrophobicContact CZ2-CE1 4.43Å; W289-Y314 AromaticContact CZ2-CG 3.67Å; W289-Y314 HydrophobicContact CZ2-CG 3.67Å; L310-Y314 WeakPolarHBondContact O-CB 3.49Å; L310-Y314 PolarHBondContact O-N 2.92Å; E311-Y314 PolarHBondContact O-N 2.78Å; Y314-N316 PolarHBondContact O-N 2.96Å; Y314-F335 HydrophobicContact CD2-CB 3.88Å; Y314-F335 AromaticContact CD2-CD1 3.47Å; Y314-F335 HydrophobicContact CD2-CD1 3.47Å; Y314-F335 VanDerWaalsContact CD2-CD1 3.47Å; Y314-F335 HydrophobicContact CD2-CD2 4.43Å; Y314-F335 AromaticContact CD2-CE1 3.98Å; Y314-F335 HydrophobicContact CD2-CE1 3.98Å; Y314-F335 AromaticContact CD2-CG 3.72Å; Y314-F335 HydrophobicContact CD2-CG 3.72Å; Y314-F335 HydrophobicContact CE2-CB 4.1Å; Y314-F335 HydrophobicContact CE2-CD1 4.26Å; Y314-F335 HydrophobicContact CE2-CG 4.41Å; Y314-F335 HydrophobicContact CG-CD1 4.22Å; Y314-F335 HydrophobicContact CG-CE1 4.29Å; Y314-M338 HydrophobicContact CD2-CE 4.24Å; Y314-M338 HydrophobicContact CE1-CE 4.25Å; Y314-M338 HydrophobicContact CE2-CE 3.49Å; Y314-M338 VanDerWaalsContact CE2-CE 3.49Å; Y314-R439 WeakPolarHBondContact O-CD 3.47Å; Y314-R439 PolarHBondContact O-NE 2.78Å; Y314-P440 HydrophobicContact CD1-CG 3.73Å; Y314-P440 HydrophobicContact CE1-CG 3.56Å
315	C	96.9	Very high	95.5	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-11.8	-178.4	-66.7	0	0	0	0	114.3	E311 P317 P440 F442 T532	E311-C315 VanDerWaalsContact O-CB 3.26Å; E311-C315 WeakPolarHBondContact O-CB 3.48Å; E311-C315 PolarHBondContact O-N 2.67Å; E311-C315 PolarHBondContact O-SG 3.38Å; C315-P317 WeakPolarHBondContact O-CD 3.39Å; C315-P440 PolarHBondContact SG-O 3.46Å; C315-P440 VanDerWaalsContact SG-O 3.42Å; C315-F442 HydrophobicContact CB-CB 3.72Å; C315-T532 HydrophobicContact CB-CG2 3.91Å
316	N	95.8	Very high	95.9	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.032	15%	0.149	C	C	.	.			trans	-79.6	114.4	172.4	-168.7	-16.5	0	0	0	110.7	R312 L313 Y314 D318 Q319 T532	R312-N316 PolarHBondContact O-N 3.02Å; L313-N316 WeakPolarHBondContact O-CB 3.48Å; L313-N316 PolarHBondContact O-N 3.32Å; Y314-N316 PolarHBondContact O-N 2.96Å; N316-D318 PolarHBondContact O-N 3.28Å; N316-D318 PolarHBondContact OD1-N 3.24Å; N316-D318 VanDerWaalsContact OD1-N 3.15Å; N316-Q319 HydrophobicContact CB-CB 4.17Å; N316-Q319 HydrophobicContact CB-CG 3.79Å; N316-Q319 PolarHBondContact O-N 3.25Å; N316-T532 PolarHBondContact ND2-O 3.47Å
317	P	94.4	Very high	95.8	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.104	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.2	-179.1	30.6	-36.2	0	0	0	113	C315 Q319 Y378 W385 K437	C315-P317 WeakPolarHBondContact O-CD 3.39Å; P317-Q319 PolarHBondContact O-N 3.41Å; P317-Y378 HydrophobicContact CB-CD2 3.96Å; P317-Y378 HydrophobicContact CB-CE2 4.46Å; P317-Y378 HydrophobicContact CB-CG 4.13Å; P317-Y378 HydrophobicContact CG-CD1 4.36Å; P317-Y378 HydrophobicContact CG-CD2 4.22Å; P317-Y378 HydrophobicContact CG-CE2 4.39Å; P317-Y378 HydrophobicContact CG-CG 4.22Å; P317-W385 VanDerWaalsContact C-CD1 3.5Å; P317-W385 VanDerWaalsContact C-NE1 3.26Å; P317-W385 HydrophobicContact CB-CB 4.16Å; P317-W385 HydrophobicContact CB-CD2 4.01Å; P317-W385 HydrophobicContact CB-CG 3.7Å; P317-W385 HydrophobicContact CG-CB 3.88Å; P317-W385 HydrophobicContact CG-CG 3.88Å; P317-W385 PolarHBondContact O-NE1 2.98Å; P317-K437 HydrophobicContact CB-CD 4.06Å; P317-K437 WeakPolarHBondContact O-CD 3.29Å; P317-K437 PolarHBondContact O-NZ 3.45Å
318	D	93.6	Very high	95.6	Very high	65 Å²	65	42.1 Å²	42.1	35%	0.348	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.9	170.5	-69.8	-51	0	0	0	112.9	N316 R380 W385 K533	N316-D318 PolarHBondContact O-N 3.28Å; N316-D318 PolarHBondContact OD1-N 3.24Å; N316-D318 VanDerWaalsContact OD1-N 3.15Å; D318-R380 IonicContact OD1-CZ 2.76Å; D318-R380 IonicContact OD1-NH1 2.66Å; D318-R380 PolarHBondContact OD1-NH1 3.42Å; D318-W385 PolarHBondContact OD1-NE1 2.87Å; D318-K533 IonicContact OD2-NZ 3.08Å; D318-K533 PolarHBondContact OD2-NZ 3.23Å
319	Q	94.7	Very high	95.5	Very high	50 Å²	50	45 Å²	45	23%	0.234	22%	0.216	C	C	.	.			trans	-93.7	129.6	176.6	-63.5	-63.6	-18.7	0	0	111.5	L313 N316 P317 F335 R439	L313-Q319 HydrophobicContact CD2-CG 4.35Å; L313-Q319 VanDerWaalsContact O-CB 3.3Å; L313-Q319 WeakPolarHBondContact O-CB 3.38Å; N316-Q319 HydrophobicContact CB-CB 4.17Å; N316-Q319 HydrophobicContact CB-CG 3.79Å; N316-Q319 PolarHBondContact O-N 3.25Å; P317-Q319 PolarHBondContact O-N 3.41Å; Q319-F335 HydrophobicContact CB-CE2 4.37Å; Q319-R439 PolarHBondContact O-NH2 3.25Å
320	E	92.9	Very high	95.6	Very high	93 Å²	93	48 Å²	48	44%	0.435	24%	0.235	S	C	.	.			trans	-116.5	-33.8	178.2	-48	-146.2	123.2	0	0	111.6	F335 K437	E320-F335 WeakPolarHBondContact O-CB 3.39Å; E320-F335 PolarHBondContact O-N 3.42Å; E320-K437 WeakPolarHBondContact OE1-CE 3.35Å; E320-K437 IonicContact OE1-NZ 3.97Å; E320-K437 PolarHBondContact OE1-NZ 3.24Å
321	Q	95.9	Very high	95.5	Very high	82 Å²	82	48.7 Å²	48.7	38%	0.383	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.2	-177.3	-64	172	-12.3	0	0	110.7	L332 L333 E334 N697	Q321-L332 HydrophobicContact CB-CD1 4.02Å; Q321-L332 HydrophobicContact CB-CG 4.36Å; Q321-L333 CarbonylContact C-O 3.5Å; Q321-L333 WeakPolarHBondContact CA-O 3.42Å; Q321-E334 HydrophobicContact CG-CB 4.14Å; Q321-E334 HydrophobicContact CG-CG 4.13Å; Q321-E334 PolarHBondContact NE2-OE1 3.41Å; Q321-E334 VanDerWaalsContact NE2-OE1 3.11Å; Q321-N697 PolarHBondContact O-ND2 2.98Å
322	V	96.9	Very high	95.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.4	179.4	55.5	0	0	0	0	110	L310 L313 L324 L333 F335 N697 V699	L310-V322 HydrophobicContact CD1-CG1 4.03Å; L313-V322 HydrophobicContact CD1-CB 4.48Å; L313-V322 HydrophobicContact CD1-CG2 3.64Å; V322-L324 HydrophobicContact CG1-CD2 4.21Å; V322-L324 HydrophobicContact CG2-CD2 4.45Å; V322-L333 HydrophobicContact CG1-CB 3.87Å; V322-L333 HydrophobicContact CG1-CD2 3.62Å; V322-L333 HydrophobicContact CG1-CG 3.84Å; V322-L333 PolarHBondContact N-O 3.32Å; V322-L333 PolarHBondContact O-N 2.78Å; V322-F335 HydrophobicContact CB-CE2 4.04Å; V322-F335 HydrophobicContact CB-CZ 4.02Å; V322-F335 HydrophobicContact CG1-CE1 3.92Å; V322-F335 HydrophobicContact CG1-CE2 3.82Å; V322-F335 HydrophobicContact CG1-CZ 3.44Å; V322-F335 VanDerWaalsContact CG1-CZ 3.44Å; V322-N697 WeakPolarHBondContact CA-OD1 3.46Å; V322-N697 WeakPolarHBondContact CB-OD1 3.39Å; V322-N697 VanDerWaalsContact CG2-OD1 3.32Å; V322-N697 WeakPolarHBondContact CG2-OD1 3.49Å; V322-V699 HydrophobicContact CG2-CG2 3.87Å
323	R	97.5	Very high	95.5	Very high	137 Å²	137	51 Å²	51	52%	0.517	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.3	171.4	-58.9	-171.9	-57.7	-144.3	-0.4	109.9	V330 F331 N697 T698 V699	R323-V330 HydrophobicContact CB-CG1 3.9Å; R323-V330 HydrophobicContact CG-CG1 4.41Å; R323-F331 CarbonylContact C-O 3.51Å; R323-F331 WeakPolarHBondContact CA-O 3.4Å; R323-N697 PolarHBondContact N-O 2.97Å; R323-T698 HydrophobicContact CB-CG2 4.19Å; R323-T698 PolarHBondContact NE-OG1 2.84Å; R323-T698 PolarHBondContact NH2-OG1 2.86Å; R323-T698 CarbonylContact O-C 3.46Å; R323-T698 VanDerWaalsContact O-CA 3.23Å; R323-T698 WeakPolarHBondContact O-CA 3.44Å; R323-V699 PolarHBondContact O-N 3.09Å
324	L	97.1	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.1	170.8	-55.9	-176	0	0	0	109	I291 L310 V322 V330 F331 L333 V340 I348 V699 V701	I291-L324 HydrophobicContact CD1-CD1 4.25Å; L310-L324 HydrophobicContact CD1-CD2 4.46Å; V322-L324 HydrophobicContact CG1-CD2 4.21Å; V322-L324 HydrophobicContact CG2-CD2 4.45Å; L324-V330 VanDerWaalsContact O-CA 3.31Å; L324-V330 WeakPolarHBondContact O-CA 3.37Å; L324-F331 HydrophobicContact CB-CD2 3.72Å; L324-F331 HydrophobicContact CB-CE2 3.46Å; L324-F331 VanDerWaalsContact CB-CE2 3.46Å; L324-F331 HydrophobicContact CB-CZ 4.2Å; L324-F331 HydrophobicContact CD1-CD2 4.35Å; L324-F331 HydrophobicContact CD1-CE2 3.83Å; L324-F331 HydrophobicContact CG-CD2 4.45Å; L324-F331 HydrophobicContact CG-CE2 4.22Å; L324-F331 PolarHBondContact N-O 2.91Å; L324-F331 PolarHBondContact O-N 3.17Å; L324-L333 HydrophobicContact CD1-CB 3.71Å; L324-L333 HydrophobicContact CD1-CD2 4.07Å; L324-L333 HydrophobicContact CD1-CG 4.5Å; L324-L333 HydrophobicContact CD2-CB 4.44Å; L324-L333 HydrophobicContact CD2-CD2 4.25Å; L324-L333 HydrophobicContact CG-CB 3.88Å; L324-L333 HydrophobicContact CG-CD2 4.45Å; L324-V340 HydrophobicContact CD1-CG2 4.32Å; L324-I348 HydrophobicContact CD1-CD1 4.43Å; L324-V699 CarbonylContact C-O 3.46Å; L324-V699 WeakPolarHBondContact CA-O 3.02Å; L324-V699 HydrophobicContact CD2-CB 3.98Å; L324-V701 HydrophobicContact CB-CG1 4.19Å; L324-V701 HydrophobicContact CB-CG2 4.09Å; L324-V701 HydrophobicContact CD1-CG1 4.24Å; L324-V701 HydrophobicContact CD2-CG1 3.93Å; L324-V701 HydrophobicContact CG-CG1 4.34Å
325	K	95.9	Very high	95.4	Very high	103 Å²	103	53.2 Å²	53.2	45%	0.448	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.5	-178.1	-177.3	-176.8	179.8	-175.6	0	110.8	R329 V330 T698 V699 A700 V701	K325-R329 VanDerWaalsContact CA-O 3.27Å; K325-R329 WeakPolarHBondContact CA-O 3.44Å; K325-R329 WeakPolarHBondContact CG-O 3.31Å; K325-V330 HydrophobicContact CB-CG2 4.26Å; K325-V330 HydrophobicContact CD-CG2 4.47Å; K325-V330 HydrophobicContact CG-CG2 4.04Å; K325-T698 HydrophobicContact CB-CG2 4.38Å; K325-V699 PolarHBondContact N-O 3.12Å; K325-A700 WeakPolarHBondContact O-CA 3.31Å; K325-V701 PolarHBondContact O-N 3.19Å
326	Y	94.6	Very high	95.1	Very high	39 Å²	39	57 Å²	57	15%	0.153	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.1	177.5	-172.9	-108.6	0	0	0	110	R293 G328 R329 E344 F345 V701	R293-Y326 PolarHBondContact NH2-OH 2.85Å; Y326-G328 PolarHBondContact O-N 3.17Å; Y326-R329 PolarHBondContact N-O 3.19Å; Y326-R329 VanDerWaalsContact N-O 3.08Å; Y326-R329 WeakPolarHBondContact O-CB 3.44Å; Y326-R329 PolarHBondContact O-N 2.77Å; Y326-E344 VanDerWaalsContact CE1-OE2 3.29Å; Y326-E344 WeakPolarHBondContact CE1-OE2 3.45Å; Y326-F345 AromaticContact CD1-CE2 3.72Å; Y326-F345 HydrophobicContact CD1-CE2 3.72Å; Y326-F345 HydrophobicContact CD1-CZ 4.18Å; Y326-F345 HydrophobicContact CD2-CE2 4.18Å; Y326-F345 HydrophobicContact CD2-CZ 4.15Å; Y326-F345 HydrophobicContact CE1-CE2 4.02Å; Y326-F345 HydrophobicContact CE1-CZ 4.07Å; Y326-F345 HydrophobicContact CE2-CE2 4.48Å; Y326-F345 HydrophobicContact CE2-CZ 4.07Å; Y326-F345 AromaticContact CG-CE2 3.81Å; Y326-F345 HydrophobicContact CG-CE2 3.81Å; Y326-F345 HydrophobicContact CG-CZ 4.22Å; Y326-V701 HydrophobicContact CD2-CG2 4.49Å; Y326-V701 WeakPolarHBondContact CD2-O 3.47Å
327	Q	92.7	Very high	95	Very high	151 Å²	151	60.2 Å²	60.2	71%	0.706	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	29.9	177.4	-62	179.7	-0.1	0	0	115.2	R329	Q327-R329 PolarHBondContact O-N 2.84Å
328	G	91.1	Very high	95.1	Very high	55 Å²	55	61.4 Å²	61.4	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-22	-177	0	0	0	0	0	115.4	Y326	Y326-G328 PolarHBondContact O-N 3.17Å
329	R	93.8	Very high	95.2	Very high	88 Å²	88	65.4 Å²	65.4	33%	0.332	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	150.6	166.2	-73.8	-178.3	-80.6	142.7	-7.4	110.2	K325 Y326 Q327 D342 E344	K325-R329 VanDerWaalsContact CA-O 3.27Å; K325-R329 WeakPolarHBondContact CA-O 3.44Å; K325-R329 WeakPolarHBondContact CG-O 3.31Å; Y326-R329 PolarHBondContact N-O 3.19Å; Y326-R329 VanDerWaalsContact N-O 3.08Å; Y326-R329 WeakPolarHBondContact O-CB 3.44Å; Y326-R329 PolarHBondContact O-N 2.77Å; Q327-R329 PolarHBondContact O-N 2.84Å; R329-D342 IonicContact CZ-OD1 3.65Å; R329-D342 IonicContact NH1-OD1 3.77Å; R329-D342 PolarHBondContact NH1-OD1 3.17Å; R329-D342 IonicContact NH1-OD2 2.66Å; R329-D342 PolarHBondContact NH1-OD2 3.34Å; R329-E344 IonicContact CZ-OE2 3.38Å; R329-E344 IonicContact NH1-OE2 3.29Å; R329-E344 IonicContact NH2-OE2 2.69Å; R329-E344 PolarHBondContact NH2-OE2 2.92Å
330	V	96.6	Very high	95.3	Very high	82 Å²	82	63.6 Å²	63.6	50%	0.497	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.5	172.6	-179.5	0	0	0	0	108.6	R323 L324 K325	R323-V330 HydrophobicContact CB-CG1 3.9Å; R323-V330 HydrophobicContact CG-CG1 4.41Å; L324-V330 VanDerWaalsContact O-CA 3.31Å; L324-V330 WeakPolarHBondContact O-CA 3.37Å; K325-V330 HydrophobicContact CB-CG2 4.26Å; K325-V330 HydrophobicContact CD-CG2 4.47Å; K325-V330 HydrophobicContact CG-CG2 4.04Å
331	F	96.1	Very high	95.1	Very high	14 Å²	14	63.6 Å²	63.6	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	172.8	-179.5	47.2	-102.7	0	0	0	111.2	I291 R323 L324 V340 C341 D342 F345 V701	I291-F331 HydrophobicContact CD1-CE2 4.29Å; I291-F331 HydrophobicContact CD1-CZ 4.44Å; R323-F331 CarbonylContact C-O 3.51Å; R323-F331 WeakPolarHBondContact CA-O 3.4Å; L324-F331 HydrophobicContact CB-CD2 3.72Å; L324-F331 HydrophobicContact CB-CE2 3.46Å; L324-F331 VanDerWaalsContact CB-CE2 3.46Å; L324-F331 HydrophobicContact CB-CZ 4.2Å; L324-F331 HydrophobicContact CD1-CD2 4.35Å; L324-F331 HydrophobicContact CD1-CE2 3.83Å; L324-F331 HydrophobicContact CG-CD2 4.45Å; L324-F331 HydrophobicContact CG-CE2 4.22Å; L324-F331 PolarHBondContact N-O 2.91Å; L324-F331 PolarHBondContact O-N 3.17Å; F331-V340 HydrophobicContact CD2-CG1 3.41Å; F331-V340 VanDerWaalsContact CD2-CG1 3.41Å; F331-V340 HydrophobicContact CE2-CG1 3.4Å; F331-V340 VanDerWaalsContact CE2-CG1 3.4Å; F331-V340 HydrophobicContact CG-CG1 4.46Å; F331-V340 HydrophobicContact CZ-CG1 4.45Å; F331-C341 WeakPolarHBondContact CB-O 3.45Å; F331-D342 HydrophobicContact CB-CB 4.07Å; F331-D342 HydrophobicContact CD1-CB 3.64Å; F331-D342 VanDerWaalsContact CD1-CG 3.49Å; F331-D342 WeakPolarHBondContact CD1-OD1 3.34Å; F331-D342 HydrophobicContact CD2-CB 3.98Å; F331-D342 HydrophobicContact CE1-CB 3.93Å; F331-D342 HydrophobicContact CE2-CB 4.24Å; F331-D342 HydrophobicContact CG-CB 3.66Å; F331-D342 HydrophobicContact CZ-CB 4.23Å; F331-F345 HydrophobicContact CE1-CD2 4.26Å; F331-F345 AromaticContact CZ-CD2 3.75Å; F331-F345 HydrophobicContact CZ-CD2 3.75Å; F331-F345 HydrophobicContact CZ-CE2 4.23Å; F331-V701 HydrophobicContact CE2-CG2 4.45Å; F331-V701 HydrophobicContact CZ-CG2 4Å
332	L	96.8	Very high	95	Very high	61 Å²	61	61.3 Å²	61.3	32%	0.319	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.3	-173.8	-162	67.4	0	0	0	111.2	Q321 V340 C341	Q321-L332 HydrophobicContact CB-CD1 4.02Å; Q321-L332 HydrophobicContact CB-CG 4.36Å; L332-V340 WeakPolarHBondContact O-CA 3.19Å; L332-C341 HydrophobicContact CB-CB 4.44Å; L332-C341 PolarHBondContact O-N 2.95Å
333	L	97.2	Very high	94.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.8	164	157.3	65.3	0	0	0	108.8	L310 Q321 V322 L324 F335 R339 V340 I348	L310-L333 HydrophobicContact CD1-CD2 4.15Å; Q321-L333 CarbonylContact C-O 3.5Å; Q321-L333 WeakPolarHBondContact CA-O 3.42Å; V322-L333 HydrophobicContact CG1-CB 3.87Å; V322-L333 HydrophobicContact CG1-CD2 3.62Å; V322-L333 HydrophobicContact CG1-CG 3.84Å; V322-L333 PolarHBondContact N-O 3.32Å; V322-L333 PolarHBondContact O-N 2.78Å; L324-L333 HydrophobicContact CD1-CB 3.71Å; L324-L333 HydrophobicContact CD1-CD2 4.07Å; L324-L333 HydrophobicContact CD1-CG 4.5Å; L324-L333 HydrophobicContact CD2-CB 4.44Å; L324-L333 HydrophobicContact CD2-CD2 4.25Å; L324-L333 HydrophobicContact CG-CB 3.88Å; L324-L333 HydrophobicContact CG-CD2 4.45Å; L333-F335 HydrophobicContact CD2-CD1 4.22Å; L333-F335 HydrophobicContact CD2-CE1 3.91Å; L333-F335 HydrophobicContact CG-CD1 4.41Å; L333-F335 HydrophobicContact CG-CE1 4.49Å; L333-R339 WeakPolarHBondContact CA-O 3.07Å; L333-R339 WeakPolarHBondContact CD1-O 3.29Å; L333-V340 HydrophobicContact CD1-CG2 4.27Å; L333-I348 HydrophobicContact CD1-CB 4.16Å; L333-I348 HydrophobicContact CD1-CG2 3.41Å; L333-I348 VanDerWaalsContact CD1-CG2 3.41Å; L333-I348 HydrophobicContact CD2-CB 4.44Å; L333-I348 HydrophobicContact CD2-CD1 3.62Å; L333-I348 HydrophobicContact CD2-CG2 3.9Å; L333-I348 HydrophobicContact CG-CG2 4.34Å
334	E	96.9	Very high	94.5	Very high	66 Å²	66	64.7 Å²	64.7	31%	0.308	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.9	171.6	-178.6	174.8	-95.1	0	0	112.1	Q321 A336 T337 M338 R339	Q321-E334 HydrophobicContact CG-CB 4.14Å; Q321-E334 HydrophobicContact CG-CG 4.13Å; Q321-E334 PolarHBondContact NE2-OE1 3.41Å; Q321-E334 VanDerWaalsContact NE2-OE1 3.11Å; E334-A336 HydrophobicContact CG-CB 4.07Å; E334-A336 PolarHBondContact O-N 3.01Å; E334-T337 PolarHBondContact O-N 3.3Å; E334-T337 WeakPolarHBondContact OE2-CB 3.3Å; E334-T337 WeakPolarHBondContact OE2-CG2 3.35Å; E334-T337 PolarHBondContact OE2-OG1 3.18Å; E334-M338 VanDerWaalsContact O-CA 3.29Å; E334-M338 WeakPolarHBondContact O-CA 3.39Å; E334-M338 PolarHBondContact O-N 2.93Å; E334-R339 PolarHBondContact N-O 3.26Å; E334-R339 VanDerWaalsContact N-O 3.09Å
335	F	95.4	Very high	94.4	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.018	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.3	-178.5	-68.7	-53.2	0	0	0	114.8	W289 L310 L313 Y314 Q319 E320 V322 L333	W289-F335 HydrophobicContact CH2-CD1 4.42Å; W289-F335 HydrophobicContact CH2-CE1 4.12Å; W289-F335 HydrophobicContact CZ3-CE1 4.49Å; L310-F335 HydrophobicContact CD1-CE1 3.82Å; L310-F335 HydrophobicContact CD1-CZ 3.85Å; L313-F335 HydrophobicContact CB-CE2 4.18Å; L313-F335 HydrophobicContact CB-CZ 4.01Å; Y314-F335 HydrophobicContact CD2-CB 3.88Å; Y314-F335 AromaticContact CD2-CD1 3.47Å; Y314-F335 HydrophobicContact CD2-CD1 3.47Å; Y314-F335 VanDerWaalsContact CD2-CD1 3.47Å; Y314-F335 HydrophobicContact CD2-CD2 4.43Å; Y314-F335 AromaticContact CD2-CE1 3.98Å; Y314-F335 HydrophobicContact CD2-CE1 3.98Å; Y314-F335 AromaticContact CD2-CG 3.72Å; Y314-F335 HydrophobicContact CD2-CG 3.72Å; Y314-F335 HydrophobicContact CE2-CB 4.1Å; Y314-F335 HydrophobicContact CE2-CD1 4.26Å; Y314-F335 HydrophobicContact CE2-CG 4.41Å; Y314-F335 HydrophobicContact CG-CD1 4.22Å; Y314-F335 HydrophobicContact CG-CE1 4.29Å; Q319-F335 HydrophobicContact CB-CE2 4.37Å; E320-F335 WeakPolarHBondContact O-CB 3.39Å; E320-F335 PolarHBondContact O-N 3.42Å; V322-F335 HydrophobicContact CB-CE2 4.04Å; V322-F335 HydrophobicContact CB-CZ 4.02Å; V322-F335 HydrophobicContact CG1-CE1 3.92Å; V322-F335 HydrophobicContact CG1-CE2 3.82Å; V322-F335 HydrophobicContact CG1-CZ 3.44Å; V322-F335 VanDerWaalsContact CG1-CZ 3.44Å; L333-F335 HydrophobicContact CD2-CD1 4.22Å; L333-F335 HydrophobicContact CD2-CE1 3.91Å; L333-F335 HydrophobicContact CG-CD1 4.41Å; L333-F335 HydrophobicContact CG-CE1 4.49Å
336	A	91.4	Very high	94.4	Very high	85 Å²	85	61.3 Å²	61.3	70%	0.702	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.8	175.6	0	0	0	0	0	111.9	E334	E334-A336 HydrophobicContact CG-CB 4.07Å; E334-A336 PolarHBondContact O-N 3.01Å
337	T	94	Very high	94.5	Very high	73 Å²	73	60.3 Å²	60.3	45%	0.448	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-10.7	-178.3	53.5	0	0	0	0	113.6	E334 R339	E334-T337 PolarHBondContact O-N 3.3Å; E334-T337 WeakPolarHBondContact OE2-CB 3.3Å; E334-T337 WeakPolarHBondContact OE2-CG2 3.35Å; E334-T337 PolarHBondContact OE2-OG1 3.18Å; T337-R339 PolarHBondContact O-N 2.74Å
338	M	95.8	Very high	94.7	Very high	41 Å²	41	53.4 Å²	53.4	20%	0.202	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	26.6	-171.3	-63.5	-63.2	-163.4	0	0	113.7	W289 Y314 E334 C347 I348	W289-M338 HydrophobicContact CH2-CE 4.16Å; W289-M338 HydrophobicContact CZ3-CE 4.26Å; W289-M338 HydrophobicContact CZ3-SD 4.27Å; Y314-M338 HydrophobicContact CD2-CE 4.24Å; Y314-M338 HydrophobicContact CE1-CE 4.25Å; Y314-M338 HydrophobicContact CE2-CE 3.49Å; Y314-M338 VanDerWaalsContact CE2-CE 3.49Å; E334-M338 VanDerWaalsContact O-CA 3.29Å; E334-M338 WeakPolarHBondContact O-CA 3.39Å; E334-M338 PolarHBondContact O-N 2.93Å; M338-C347 WeakPolarHBondContact O-CA 3.45Å; M338-I348 HydrophobicContact CB-CG2 4.11Å; M338-I348 PolarHBondContact O-N 2.66Å; M338-I348 HydrophobicContact SD-CG2 3.77Å
339	R	96.9	Very high	95	Very high	150 Å²	150	51.8 Å²	51.8	57%	0.566	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	148.3	179	-71.6	-176.7	174	-82.5	0.6	112.3	L333 E334 T337	L333-R339 WeakPolarHBondContact CA-O 3.07Å; L333-R339 WeakPolarHBondContact CD1-O 3.29Å; E334-R339 PolarHBondContact N-O 3.26Å; E334-R339 VanDerWaalsContact N-O 3.09Å; T337-R339 PolarHBondContact O-N 2.74Å
340	V	95.1	Very high	95.1	Very high	11 Å²	11	49 Å²	49	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.9	179.2	-179.2	0	0	0	0	108.8	I291 L324 F331 L332 L333 D342 F345 D346 I348	I291-V340 HydrophobicContact CD1-CG2 4.47Å; L324-V340 HydrophobicContact CD1-CG2 4.32Å; F331-V340 HydrophobicContact CD2-CG1 3.41Å; F331-V340 VanDerWaalsContact CD2-CG1 3.41Å; F331-V340 HydrophobicContact CE2-CG1 3.4Å; F331-V340 VanDerWaalsContact CE2-CG1 3.4Å; F331-V340 HydrophobicContact CG-CG1 4.46Å; F331-V340 HydrophobicContact CZ-CG1 4.45Å; L332-V340 WeakPolarHBondContact O-CA 3.19Å; L333-V340 HydrophobicContact CD1-CG2 4.27Å; V340-D342 HydrophobicContact CG1-CB 4.14Å; V340-F345 HydrophobicContact CG1-CB 4.1Å; V340-D346 PolarHBondContact N-O 3.27Å; V340-I348 HydrophobicContact CG2-CB 4.35Å
341	C	89.3	Confident	95.2	Very high	93 Å²	93	45.6 Å²	45.6	63%	0.628	25%	0.245	S	C	*	.			trans	-101.2	66	179.2	-60.4	0	0	0	0	111.4	F331 L332	F331-C341 WeakPolarHBondContact CB-O 3.45Å; L332-C341 HydrophobicContact CB-CB 4.44Å; L332-C341 PolarHBondContact O-N 2.95Å
342	D	93	Very high	95.1	Very high	35 Å²	35	46.1 Å²	46.1	19%	0.187	25%	0.249	C	C	.	.	S	Bend	trans	-134	169	176.6	-173.9	61.7	0	0	0	111.9	R329 F331 V340 E344	R329-D342 IonicContact CZ-OD1 3.65Å; R329-D342 IonicContact NH1-OD1 3.77Å; R329-D342 PolarHBondContact NH1-OD1 3.17Å; R329-D342 IonicContact NH1-OD2 2.66Å; R329-D342 PolarHBondContact NH1-OD2 3.34Å; F331-D342 HydrophobicContact CB-CB 4.07Å; F331-D342 HydrophobicContact CD1-CB 3.64Å; F331-D342 VanDerWaalsContact CD1-CG 3.49Å; F331-D342 WeakPolarHBondContact CD1-OD1 3.34Å; F331-D342 HydrophobicContact CD2-CB 3.98Å; F331-D342 HydrophobicContact CE1-CB 3.93Å; F331-D342 HydrophobicContact CE2-CB 4.24Å; F331-D342 HydrophobicContact CG-CB 3.66Å; F331-D342 HydrophobicContact CZ-CB 4.23Å; V340-D342 HydrophobicContact CG1-CB 4.14Å; D342-E344 WeakPolarHBondContact OD2-CA 3.5Å; D342-E344 VanDerWaalsContact OD2-CB 3.3Å; D342-E344 WeakPolarHBondContact OD2-CB 3.21Å; D342-E344 PolarHBondContact OD2-N 2.89Å
343	L	89.7	Confident	95	Very high	168 Å²	168	43.2 Å²	43.2	88%	0.88	23%	0.234	S	C	*	.	S	Bend	trans	-80	-29.8	176.8	-61.1	174.5	0	0	0	113.1
344	E	94.6	Very high	94.6	Very high	39 Å²	39	45.1 Å²	45.1	18%	0.182	25%	0.246	C	C	.	.	S	Bend	trans	-98.9	-22.7	-174.3	-171	174	-177.6	0	0	112.5	R293 S294 Y326 R329 D342	R293-E344 CarbonylContact C-O 3.56Å; R293-E344 WeakPolarHBondContact CA-O 3.12Å; R293-E344 IonicContact CZ-OE1 2.67Å; R293-E344 IonicContact NH1-OE1 3.38Å; R293-E344 PolarHBondContact NH1-OE1 2.88Å; R293-E344 IonicContact NH2-OE1 3.32Å; R293-E344 PolarHBondContact NH2-OE1 3.41Å; S294-E344 PolarHBondContact N-O 2.79Å; S294-E344 PolarHBondContact OG-O 2.92Å; Y326-E344 VanDerWaalsContact CE1-OE2 3.29Å; Y326-E344 WeakPolarHBondContact CE1-OE2 3.45Å; R329-E344 IonicContact CZ-OE2 3.38Å; R329-E344 IonicContact NH1-OE2 3.29Å; R329-E344 IonicContact NH2-OE2 2.69Å; R329-E344 PolarHBondContact NH2-OE2 2.92Å; D342-E344 WeakPolarHBondContact OD2-CA 3.5Å; D342-E344 VanDerWaalsContact OD2-CB 3.3Å; D342-E344 WeakPolarHBondContact OD2-CB 3.21Å; D342-E344 PolarHBondContact OD2-N 2.89Å
345	F	96.4	Very high	93.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.6	-176.9	-51.8	-80.6	0	0	0	112.8	I291 R292 R293 S294 Y326 F331 V340	I291-F345 HydrophobicContact CB-CD1 4.35Å; I291-F345 HydrophobicContact CD1-CB 3.68Å; I291-F345 HydrophobicContact CD1-CD1 3.71Å; I291-F345 HydrophobicContact CD1-CD2 4.05Å; I291-F345 HydrophobicContact CD1-CE1 4.33Å; I291-F345 HydrophobicContact CD1-CG 3.54Å; I291-F345 HydrophobicContact CG1-CB 3.86Å; I291-F345 HydrophobicContact CG1-CD1 3.68Å; I291-F345 HydrophobicContact CG1-CE1 4.45Å; I291-F345 HydrophobicContact CG1-CG 3.9Å; I291-F345 HydrophobicContact CG2-CD1 3.87Å; I291-F345 HydrophobicContact CG2-CE1 3.82Å; R292-F345 VanDerWaalsContact O-CA 3.25Å; R292-F345 WeakPolarHBondContact O-CA 3.31Å; R292-F345 WeakPolarHBondContact O-CD1 3.46Å; R293-F345 HydrophobicContact CG-CD1 4.2Å; R293-F345 HydrophobicContact CG-CE1 3.93Å; S294-F345 WeakPolarHBondContact OG-CA 3.26Å; S294-F345 PolarHBondContact OG-N 3.03Å; Y326-F345 AromaticContact CD1-CE2 3.72Å; Y326-F345 HydrophobicContact CD1-CE2 3.72Å; Y326-F345 HydrophobicContact CD1-CZ 4.18Å; Y326-F345 HydrophobicContact CD2-CE2 4.18Å; Y326-F345 HydrophobicContact CD2-CZ 4.15Å; Y326-F345 HydrophobicContact CE1-CE2 4.02Å; Y326-F345 HydrophobicContact CE1-CZ 4.07Å; Y326-F345 HydrophobicContact CE2-CE2 4.48Å; Y326-F345 HydrophobicContact CE2-CZ 4.07Å; Y326-F345 AromaticContact CG-CE2 3.81Å; Y326-F345 HydrophobicContact CG-CE2 3.81Å; Y326-F345 HydrophobicContact CG-CZ 4.22Å; F331-F345 HydrophobicContact CE1-CD2 4.26Å; F331-F345 AromaticContact CZ-CD2 3.75Å; F331-F345 HydrophobicContact CZ-CD2 3.75Å; F331-F345 HydrophobicContact CZ-CE2 4.23Å; V340-F345 HydrophobicContact CG1-CB 4.1Å
346	D	95.5	Very high	92.7	Very high	31 Å²	31	48.1 Å²	48.1	17%	0.166	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-32.3	-175.4	63.4	-8.3	0	0	0	114.2	R292 S294 Q297 V340	R292-D346 IonicContact CZ-OD1 3.7Å; R292-D346 IonicContact CZ-OD2 3.55Å; R292-D346 IonicContact NE-OD1 3.7Å; R292-D346 PolarHBondContact NE-OD1 2.76Å; R292-D346 IonicContact NE-OD2 3.32Å; R292-D346 PolarHBondContact NE-OD2 2.87Å; R292-D346 IonicContact NH2-OD1 2.69Å; R292-D346 PolarHBondContact NH2-OD1 2.71Å; R292-D346 IonicContact NH2-OD2 2.64Å; R292-D346 PolarHBondContact NH2-OD2 2.82Å; R292-D346 PolarHBondContact O-N 3.43Å; S294-D346 PolarHBondContact OG-N 2.91Å; Q297-D346 PolarHBondContact NE2-OD2 2.88Å; V340-D346 PolarHBondContact N-O 3.27Å
347	C	96.2	Very high	91.2	Very high	18 Å²	18	49.4 Å²	49.4	12%	0.122	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.4	-173.9	-75.6	0	0	0	0	112.6	R292 W299 M338	R292-C347 HydrophobicContact CB-CB 4.35Å; R292-C347 PolarHBondContact N-O 3.04Å; W299-C347 HydrophobicContact CH2-CB 3.93Å; W299-C347 HydrophobicContact CZ3-CB 4.45Å; M338-C347 WeakPolarHBondContact O-CA 3.45Å
348	I	97.1	Very high	89.4	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	159.3	166.6	-150.7	170.8	0	0	0	109.7	W289 Q290 I291 W299 I302 L310 L324 L333 M338 V340	W289-I348 HydrophobicContact CE3-CD1 3.9Å; W289-I348 HydrophobicContact CE3-CG1 4.12Å; W289-I348 HydrophobicContact CE3-CG2 4.48Å; W289-I348 HydrophobicContact CZ3-CD1 4.34Å; W289-I348 HydrophobicContact CZ3-CG2 4.14Å; Q290-I348 CarbonylContact O-C 3.53Å; Q290-I348 WeakPolarHBondContact O-CA 3.37Å; Q290-I348 WeakPolarHBondContact O-CG1 3.47Å; I291-I348 HydrophobicContact CB-CG1 4.48Å; W299-I348 VanDerWaalsContact CZ3-C 3.44Å; I302-I348 HydrophobicContact CD1-CD1 3.62Å; I302-I348 HydrophobicContact CD1-CG1 4.21Å; L310-I348 HydrophobicContact CD2-CD1 3.57Å; L324-I348 HydrophobicContact CD1-CD1 4.43Å; L333-I348 HydrophobicContact CD1-CB 4.16Å; L333-I348 HydrophobicContact CD1-CG2 3.41Å; L333-I348 VanDerWaalsContact CD1-CG2 3.41Å; L333-I348 HydrophobicContact CD2-CB 4.44Å; L333-I348 HydrophobicContact CD2-CD1 3.62Å; L333-I348 HydrophobicContact CD2-CG2 3.9Å; L333-I348 HydrophobicContact CG-CG2 4.34Å; M338-I348 HydrophobicContact CB-CG2 4.11Å; M338-I348 PolarHBondContact O-N 2.66Å; M338-I348 HydrophobicContact SD-CG2 3.77Å; V340-I348 HydrophobicContact CG2-CB 4.35Å
349	R	96.9	Very high	87.2	Confident	22 Å²	22	54.8 Å²	54.8	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.6	165.7	70.2	-176.8	-178.4	178.9	8.9	111.7	H256 Q257 S258 D259 W289 Q290 W299 L351	H256-R349 PolarHBondContact O-NH2 2.87Å; Q257-R349 PolarHBondContact O-NH1 3.07Å; S258-R349 PolarHBondContact O-NH1 3.28Å; D259-R349 IonicContact OD1-CZ 3.13Å; D259-R349 IonicContact OD1-NH1 2.85Å; D259-R349 PolarHBondContact OD1-NH1 2.87Å; W289-R349 WeakPolarHBondContact CA-O 3.46Å; Q290-R349 HydrophobicContact CB-CG 4.18Å; Q290-R349 PolarHBondContact N-O 3.34Å; Q290-R349 PolarHBondContact O-N 2.87Å; Q290-R349 VanDerWaalsContact OE1-NE 3.17Å; W299-R349 VanDerWaalsContact CD1-NH1 3.28Å; W299-R349 HydrophobicContact CD2-CG 4.06Å; W299-R349 HydrophobicContact CE3-CB 4.42Å; W299-R349 HydrophobicContact CE3-CG 3.67Å; W299-R349 VanDerWaalsContact CG-CZ 3.44Å; W299-R349 HydrophobicContact CH2-CB 3.75Å; W299-R349 HydrophobicContact CH2-CG 3.86Å; W299-R349 HydrophobicContact CZ2-CB 4.32Å; W299-R349 HydrophobicContact CZ2-CG 4.21Å; W299-R349 HydrophobicContact CZ3-CB 3.82Å; W299-R349 HydrophobicContact CZ3-CG 3.59Å; W299-R349 VanDerWaalsContact NE1-NH1 3.19Å; R349-L351 HydrophobicContact CG-CD2 4.27Å
350	R	96.8	Very high	84.9	Confident	29 Å²	29	51.6 Å²	51.6	11%	0.109	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	104.7	168.7	179.4	-169.2	175.9	-80.7	6.5	108	W289 E311 T352 T373	W289-R350 HydrophobicContact CD2-CB 3.92Å; W289-R350 HydrophobicContact CD2-CG 4.23Å; W289-R350 HydrophobicContact CE3-CB 3.92Å; W289-R350 HydrophobicContact CH2-CB 3.84Å; W289-R350 HydrophobicContact CH2-CG 4.4Å; W289-R350 HydrophobicContact CZ2-CB 3.79Å; W289-R350 HydrophobicContact CZ2-CG 3.85Å; W289-R350 HydrophobicContact CZ3-CB 3.9Å; E311-R350 VanDerWaalsContact CD-NE 3.26Å; E311-R350 IonicContact OE1-CZ 2.87Å; E311-R350 VanDerWaalsContact OE1-CZ 3.23Å; E311-R350 IonicContact OE1-NE 2.71Å; E311-R350 PolarHBondContact OE1-NE 3.41Å; E311-R350 IonicContact OE1-NH2 3.73Å; E311-R350 PolarHBondContact OE1-NH2 3.14Å; E311-R350 WeakPolarHBondContact OE2-CD 3.26Å; E311-R350 IonicContact OE2-CZ 2.74Å; E311-R350 IonicContact OE2-NE 3.64Å; E311-R350 PolarHBondContact OE2-NE 2.95Å; R350-T352 PolarHBondContact NH1-OG1 3.03Å; R350-T373 PolarHBondContact NH2-OG1 3.43Å
351	L	97.2	Very high	82.3	Confident	10 Å²	10	56.3 Å²	56.3	5%	0.052	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	144.9	164.8	-51.9	-177.9	0	0	0	108.8	T255 I263 H281 Y287 H288 Q290 R349	T255-L351 HydrophobicContact CG2-CD1 4.05Å; I263-L351 HydrophobicContact CD1-CB 3.94Å; I263-L351 HydrophobicContact CG1-CB 4.04Å; H281-L351 HydrophobicContact CB-CD1 4.42Å; H281-L351 VanDerWaalsContact CE1-CD1 3.5Å; H281-L351 WeakPolarHBondContact CE1-CD1 3.28Å; H281-L351 WeakPolarHBondContact ND1-CD1 3.37Å; H281-L351 WeakPolarHBondContact NE2-CD2 3.36Å; Y287-L351 WeakPolarHBondContact CA-O 3.26Å; H288-L351 HydrophobicContact CB-CB 4.18Å; H288-L351 HydrophobicContact CB-CD1 4.2Å; H288-L351 PolarHBondContact N-O 3.35Å; H288-L351 VanDerWaalsContact O-CB 3.29Å; H288-L351 WeakPolarHBondContact O-CB 3.41Å; H288-L351 WeakPolarHBondContact O-CG 3.25Å; H288-L351 PolarHBondContact O-N 3.18Å; Q290-L351 HydrophobicContact CG-CD1 4.25Å; Q290-L351 HydrophobicContact CG-CG 4.47Å; R349-L351 HydrophobicContact CG-CD2 4.27Å
352	T	95.3	Very high	80.3	Confident	26 Å²	26	55.4 Å²	55.4	16%	0.16	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149	-171.6	-168	0	0	0	0	110.7	D262 I263 R350 T373	D262-T352 CarbonylContact C-O 3.54Å; D262-T352 WeakPolarHBondContact CA-O 3.36Å; D262-T352 WeakPolarHBondContact OD1-CG2 3.47Å; I263-T352 PolarHBondContact N-O 3.16Å; R350-T352 PolarHBondContact NH1-OG1 3.03Å; T352-T373 VanDerWaalsContact OG1-CB 3.29Å; T352-T373 WeakPolarHBondContact OG1-CB 3.43Å; T352-T373 PolarHBondContact OG1-OG1 3.36Å; T352-T373 VanDerWaalsContact OG1-OG1 3.06Å
353	T	94.1	Very high	77.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-70.8	151.5	157.3	46.6	0	0	0	0	110.4	I263 V265 L268 P286 C371 H372 T373	I263-T353 HydrophobicContact CB-CG2 3.72Å; I263-T353 HydrophobicContact CG2-CG2 3.72Å; V265-T353 HydrophobicContact CG2-CG2 3.75Å; L268-T353 HydrophobicContact CD1-CG2 3.51Å; P286-T353 HydrophobicContact CB-CG2 3.79Å; P286-T353 PolarHBondContact O-N 3.37Å; P286-T353 PolarHBondContact O-OG1 3.25Å; T353-C371 VanDerWaalsContact CB-O 3.3Å; T353-C371 WeakPolarHBondContact CB-O 3.31Å; T353-C371 VanDerWaalsContact CG2-O 3.3Å; T353-C371 WeakPolarHBondContact CG2-O 3.43Å; T353-C371 PolarHBondContact OG1-O 2.91Å; T353-H372 WeakPolarHBondContact OG1-CA 3.27Å; T353-T373 PolarHBondContact OG1-N 3Å; T353-T373 PolarHBondContact OG1-OG1 2.82Å
354	P	88.5	Confident	75.2	Confident	39 Å²	39	55.4 Å²	55.4	25%	0.253	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.8	154.8	177.4	29.5	-34.3	0	0	0	110.5	V265 H372	V265-P354 HydrophobicContact CG2-CG 4.14Å; P354-H372 WeakPolarHBondContact O-CB 3.3Å; P354-H372 PolarHBondContact O-ND1 3.18Å
355	P	80	Confident	72.7	Confident	82 Å²	82	59.4 Å²	59.4	53%	0.532	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-54.8	153	171.5	-24.1	34.6	0	0	0	112.3
356	C	71.9	Confident	69.9	Low	51 Å²	51	65.1 Å²	65.1	35%	0.345	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-65.3	125.8	177.8	-170.8	0	0	0	0	110.4	L358 H372	C356-L358 PolarHBondContact O-N 2.66Å; C356-H372 HydrophobicContact CB-CB 4.05Å
357	P	59.9	Low	67.7	Low	113 Å²	113	67 Å²	67	73%	0.734	42%	0.42	S	S	*	.	S	Bend	trans	-73.1	-8.2	-175.5	29	-36.1	0	0	0	114.1
358	L	56.9	Low	65.7	Low	131 Å²	131	71.2 Å²	71.2	69%	0.686	45%	0.446	S	S	*	.	S	Bend	trans	-117.1	135.2	175.3	-67.6	175.6	0	0	0	110.6	C356 V360	C356-L358 PolarHBondContact O-N 2.66Å; L358-V360 PolarHBondContact O-N 3.06Å
359	P	49.8	Very low	63.9	Low	96 Å²	96	73 Å²	73	62%	0.623	46%	0.458	S	S	*	.			trans	-69.8	98.8	171.4	29.1	-33	0	0	0	109.6
360	V	48	Very low	62.8	Low	83 Å²	83	74.3 Å²	74.3	50%	0.503	47%	0.47	S	S	.	.			trans	-51.8	127	174.2	-177.4	0	0	0	0	109.4	L358 A362	L358-V360 PolarHBondContact O-N 3.06Å; V360-A362 PolarHBondContact O-N 2.76Å; V360-A362 VanDerWaalsContact O-N 3.11Å
361	P	41.5	Very low	62.2	Low	109 Å²	109	73 Å²	73	71%	0.708	47%	0.466	S	S	*	.			trans	-59.1	116.3	-177	-28.7	36.6	0	0	0	113.2	A363	P361-A363 VanDerWaalsContact C-N 3.27Å; P361-A363 PolarHBondContact O-N 3.09Å
362	A	47.7	Very low	61.8	Low	74 Å²	74	74.3 Å²	74.3	61%	0.612	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	70.4	-175.7	0	0	0	0	0	112.9	V360 E390	V360-A362 PolarHBondContact O-N 2.76Å; V360-A362 VanDerWaalsContact O-N 3.11Å; A362-E390 WeakPolarHBondContact CB-OE2 3.36Å
363	A	38.1	Very low	61.5	Low	85 Å²	85	73.6 Å²	73.6	70%	0.702	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	-31.6	179.9	0	0	0	0	0	115.1	P361 P365	P361-A363 VanDerWaalsContact C-N 3.27Å; P361-A363 PolarHBondContact O-N 3.09Å; A363-P365 WeakPolarHBondContact O-CD 3.5Å
364	N	37.5	Very low	61.3	Low	118 Å²	118	77 Å²	77	63%	0.631	49%	0.488	S	S	*	.			trans	-94.7	117.9	-175.7	-81.6	-10.7	0	0	0	111.9	N366 S367	N364-N366 PolarHBondContact O-N 3.1Å; N364-S367 PolarHBondContact O-N 2.93Å; N364-S367 PolarHBondContact O-OG 2.94Å
365	P	40.5	Very low	61.4	Low	123 Å²	123	77.9 Å²	77.9	80%	0.799	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-3.9	170.1	31.5	-35.9	0	0	0	113.3	A363	A363-P365 WeakPolarHBondContact O-CD 3.5Å
366	N	39.1	Very low	62	Low	122 Å²	122	76.1 Å²	76.1	65%	0.652	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	25.3	176.2	-61.5	-2.8	0	0	0	111.7	N364 T368	N364-N366 PolarHBondContact O-N 3.1Å; N366-T368 PolarHBondContact O-N 2.66Å
367	S	49.2	Very low	63	Low	71 Å²	71	74.3 Å²	74.3	50%	0.497	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-64.3	124.9	172.9	41.2	0	0	0	0	110.2	N364	N364-S367 PolarHBondContact O-N 2.93Å; N364-S367 PolarHBondContact O-OG 2.94Å
368	T	52.9	Low	64.5	Low	107 Å²	107	70.4 Å²	70.4	66%	0.656	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-59.1	131.8	-175.1	-40.6	0	0	0	0	110.9	N366 S370 H451	N366-T368 PolarHBondContact O-N 2.66Å; T368-S370 PolarHBondContact O-N 3.03Å; T368-S370 VanDerWaalsContact O-N 3.13Å; T368-H451 VanDerWaalsContact CG2-CE1 3.42Å; T368-H451 WeakPolarHBondContact CG2-CE1 3.48Å
369	P	60.7	Low	66.2	Low	42 Å²	42	64.4 Å²	64.4	27%	0.273	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-53.4	118.9	174.5	-26.7	33.6	0	0	0	111.9	M443 I447	P369-M443 HydrophobicContact CB-CE 3.8Å; P369-M443 HydrophobicContact CG-CE 4.29Å; P369-I447 HydrophobicContact CB-CG2 4.41Å; P369-I447 HydrophobicContact CG-CG2 3.96Å
370	S	73.2	Confident	68.2	Low	49 Å²	49	64.4 Å²	64.4	34%	0.343	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-89.6	154.1	175.7	82	0	0	0	0	110.8	T368 H372	T368-S370 PolarHBondContact O-N 3.03Å; T368-S370 VanDerWaalsContact O-N 3.13Å; S370-H372 PolarHBondContact O-N 3.43Å; S370-H372 PolarHBondContact OG-N 3.26Å
371	C	83.6	Confident	70.1	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.02	37%	0.365	C	S	.	.	S	Bend	trans	-71.6	-2.3	172.4	-63.8	0	0	0	0	113.9	V265 L268 P286 T353	V265-C371 HydrophobicContact CG1-CB 4.35Å; L268-C371 HydrophobicContact CB-CB 4.46Å; L268-C371 HydrophobicContact CD1-CB 4.09Å; P286-C371 WeakPolarHBondContact CB-O 3.46Å; T353-C371 VanDerWaalsContact CB-O 3.3Å; T353-C371 WeakPolarHBondContact CB-O 3.31Å; T353-C371 VanDerWaalsContact CG2-O 3.3Å; T353-C371 WeakPolarHBondContact CG2-O 3.43Å; T353-C371 PolarHBondContact OG1-O 2.91Å
372	H	88.9	Confident	72.1	Confident	36 Å²	36	63.2 Å²	63.2	17%	0.167	37%	0.368	C	S	.	.	S	Bend	trans	-79.4	138.9	178.4	-63.4	-83.1	0	0	0	112	T353 P354 C356 S370 V374	T353-H372 WeakPolarHBondContact OG1-CA 3.27Å; P354-H372 WeakPolarHBondContact O-CB 3.3Å; P354-H372 PolarHBondContact O-ND1 3.18Å; C356-H372 HydrophobicContact CB-CB 4.05Å; S370-H372 PolarHBondContact O-N 3.43Å; S370-H372 PolarHBondContact OG-N 3.26Å; H372-V374 PolarHBondContact O-N 3.44Å
373	T	90.7	Very high	73.9	Confident	12 Å²	12	67.6 Å²	67.6	7%	0.074	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-69.3	117.6	172.8	-75.1	0	0	0	0	110.1	R350 T352 T353 W375 P440	R350-T373 PolarHBondContact NH2-OG1 3.43Å; T352-T373 VanDerWaalsContact OG1-CB 3.29Å; T352-T373 WeakPolarHBondContact OG1-CB 3.43Å; T352-T373 PolarHBondContact OG1-OG1 3.36Å; T352-T373 VanDerWaalsContact OG1-OG1 3.06Å; T353-T373 PolarHBondContact OG1-N 3Å; T353-T373 PolarHBondContact OG1-OG1 2.82Å; T373-W375 HydrophobicContact CG2-CD2 4.28Å; T373-W375 HydrophobicContact CG2-CZ2 4.15Å; T373-P440 HydrophobicContact CG2-CB 4.17Å
374	V	89.4	Confident	76.4	Confident	71 Å²	71	64.2 Å²	64.2	43%	0.43	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-93.2	116.8	174.2	177.7	0	0	0	0	108.8	H372 M441	H372-V374 PolarHBondContact O-N 3.44Å; V374-M441 HydrophobicContact CB-CB 4.24Å; V374-M441 WeakPolarHBondContact O-CB 3.46Å; V374-M441 PolarHBondContact O-N 3.12Å
375	W	90.3	Very high	79	Confident	58 Å²	58	60.5 Å²	60.5	22%	0.22	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140.7	176.4	-68	101.4	0	0	0	112.2	T373 K438 R439 P440	T373-W375 HydrophobicContact CG2-CD2 4.28Å; T373-W375 HydrophobicContact CG2-CZ2 4.15Å; W375-K438 VanDerWaalsContact CB-CE 3.49Å; W375-K438 HydrophobicContact CD2-CD 4.35Å; W375-K438 VanDerWaalsContact CD2-CE 3.46Å; W375-K438 HydrophobicContact CD2-CG 4.43Å; W375-K438 HydrophobicContact CE3-CD 4.06Å; W375-K438 HydrophobicContact CE3-CG 3.76Å; W375-K438 HydrophobicContact CZ3-CG 4.35Å; W375-R439 VanDerWaalsContact CE3-C 3.49Å; W375-P440 HydrophobicContact CE3-CB 4.49Å; W375-P440 HydrophobicContact CE3-CG 4.28Å; W375-P440 HydrophobicContact CH2-CG 4.1Å; W375-P440 HydrophobicContact CZ3-CB 4.4Å; W375-P440 HydrophobicContact CZ3-CG 3.73Å
376	K	91.9	Very high	81.4	Confident	44 Å²	44	61.9 Å²	61.9	19%	0.191	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.8	177.7	-63.9	-62.8	-161	163.5	0	109.7	Y378 E387 K438 R439 M441	K376-Y378 HydrophobicContact CB-CE2 3.55Å; K376-Y378 WeakPolarHBondContact CB-OH 3.21Å; K376-E387 WeakPolarHBondContact CD-OE1 3.33Å; K376-E387 WeakPolarHBondContact CE-OE1 3.11Å; K376-E387 IonicContact NZ-OE1 2.72Å; K376-E387 PolarHBondContact NZ-OE1 3.18Å; K376-E387 IonicContact NZ-OE2 2.66Å; K376-K438 WeakPolarHBondContact O-CA 3.15Å; K376-R439 PolarHBondContact N-O 3.44Å; K376-R439 PolarHBondContact O-N 3.34Å; K376-R439 VanDerWaalsContact O-O 3.06Å; K376-M441 VanDerWaalsContact CE-SD 3.54Å; K376-M441 HydrophobicContact CG-CB 3.94Å
377	Y	92.6	Very high	84	Confident	13 Å²	13	60.4 Å²	60.4	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.8	176.6	-71.5	-102.2	0	0	0	109.7	Y388 V393 I396 E397 I436 K437 K438	Y377-Y388 PolarHBondContact O-N 2.79Å; Y377-V393 HydrophobicContact CD2-CB 4.49Å; Y377-V393 HydrophobicContact CD2-CG1 3.83Å; Y377-V393 HydrophobicContact CD2-CG2 4.24Å; Y377-V393 HydrophobicContact CE2-CG1 4.11Å; Y377-I396 HydrophobicContact CD1-CD1 4.08Å; Y377-I396 HydrophobicContact CD1-CG2 4.01Å; Y377-I396 HydrophobicContact CE1-CB 4.36Å; Y377-I396 HydrophobicContact CE1-CG2 3.37Å; Y377-I396 HydrophobicContact CE2-CG2 4.33Å; Y377-I396 HydrophobicContact CG-CD1 4.17Å; Y377-E397 HydrophobicContact CE2-CG 4.05Å; Y377-E397 WeakPolarHBondContact CE2-OE1 3.48Å; Y377-E397 PolarHBondContact OH-OE1 2.99Å; Y377-E397 PolarHBondContact OH-OE2 3.32Å; Y377-I436 HydrophobicContact CD1-CG2 4.3Å; Y377-K437 WeakPolarHBondContact CA-O 3.29Å; Y377-K438 HydrophobicContact CD1-CB 4.05Å; Y377-K438 HydrophobicContact CD1-CG 4.28Å; Y377-K438 HydrophobicContact CD2-CG 4.47Å; Y377-K438 HydrophobicContact CE1-CB 3.85Å; Y377-K438 HydrophobicContact CE1-CD 3.86Å; Y377-K438 HydrophobicContact CE1-CG 3.87Å; Y377-K438 HydrophobicContact CE2-CD 4.07Å; Y377-K438 HydrophobicContact CE2-CG 4.07Å; Y377-K438 WeakPolarHBondContact OH-CD 3.48Å; Y377-K438 VanDerWaalsContact OH-CE 3.25Å; Y377-K438 WeakPolarHBondContact OH-CE 3.3Å; Y377-K438 PolarHBondContact OH-NZ 3.4Å
378	Y	93	Very high	86	Confident	32 Å²	32	58 Å²	58	13%	0.125	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.7	-177.8	-58.9	-84.1	0	0	0	110.8	P317 K376 W385 R386 E387 I436 K437 R439	P317-Y378 HydrophobicContact CB-CD2 3.96Å; P317-Y378 HydrophobicContact CB-CE2 4.46Å; P317-Y378 HydrophobicContact CB-CG 4.13Å; P317-Y378 HydrophobicContact CG-CD1 4.36Å; P317-Y378 HydrophobicContact CG-CD2 4.22Å; P317-Y378 HydrophobicContact CG-CE2 4.39Å; P317-Y378 HydrophobicContact CG-CG 4.22Å; K376-Y378 HydrophobicContact CB-CE2 3.55Å; K376-Y378 WeakPolarHBondContact CB-OH 3.21Å; Y378-W385 HydrophobicContact CD1-CB 4.33Å; Y378-W385 HydrophobicContact CG-CB 4.46Å; Y378-R386 CarbonylContact C-O 3.54Å; Y378-R386 VanDerWaalsContact CA-O 3.31Å; Y378-R386 WeakPolarHBondContact CA-O 3.25Å; Y378-E387 HydrophobicContact CD1-CB 3.97Å; Y378-E387 HydrophobicContact CD1-CG 4.33Å; Y378-E387 HydrophobicContact CE1-CB 3.75Å; Y378-E387 HydrophobicContact CE1-CG 3.88Å; Y378-E387 PolarHBondContact OH-OE2 3.42Å; Y378-I436 CarbonylContact O-C 3.54Å; Y378-I436 VanDerWaalsContact O-CA 3.26Å; Y378-I436 WeakPolarHBondContact O-CA 3.49Å; Y378-K437 PolarHBondContact N-O 2.87Å; Y378-K437 PolarHBondContact O-N 3.32Å; Y378-R439 HydrophobicContact CE2-CB 4.26Å
379	C	92.3	Very high	87.7	Confident	5 Å²	5	56 Å²	56	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137	168.4	-165	0	0	0	0	109.2	R386 Y388	C379-R386 PolarHBondContact N-O 2.96Å; C379-R386 PolarHBondContact O-N 3.32Å; C379-Y388 HydrophobicContact CB-CE1 4.24Å; C379-Y388 HydrophobicContact CB-CE2 3.74Å; C379-Y388 WeakPolarHBondContact CB-OH 3.46Å; C379-Y388 PolarHBondContact SG-OH 3.5Å; C379-Y388 VanDerWaalsContact SG-OH 3.34Å
380	R	92	Very high	89	Confident	96 Å²	96	58.1 Å²	58.1	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.6	172	-163.9	68.6	178.2	178	-1.9	110	D318 W385 R434 Q435	D318-R380 IonicContact OD1-CZ 2.76Å; D318-R380 IonicContact OD1-NH1 2.66Å; D318-R380 PolarHBondContact OD1-NH1 3.42Å; R380-W385 HydrophobicContact CB-CE3 4.09Å; R380-W385 HydrophobicContact CB-CH2 4.07Å; R380-W385 HydrophobicContact CB-CZ3 3.84Å; R380-R434 WeakPolarHBondContact O-CD 3.36Å; R380-R434 WeakPolarHBondContact O-CG 3.34Å; R380-R434 PolarHBondContact O-NH1 3.02Å; R380-Q435 HydrophobicContact CB-CB 4.14Å; R380-Q435 PolarHBondContact N-O 2.67Å
381	D	86.9	Confident	89.7	Confident	23 Å²	23	59 Å²	59	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	166.9	-178.1	-158.5	7.7	0	0	0	109.2	I383 G384 R386 R434	D381-I383 PolarHBondContact O-N 2.97Å; D381-G384 WeakPolarHBondContact CA-O 3.43Å; D381-G384 PolarHBondContact N-O 3.36Å; D381-G384 PolarHBondContact O-N 3.35Å; D381-G384 VanDerWaalsContact O-O 3.12Å; D381-R386 IonicContact OD2-CZ 3.34Å; D381-R386 VanDerWaalsContact OD2-CZ 3.26Å; D381-R386 IonicContact OD2-NE 2.74Å; D381-R386 PolarHBondContact OD2-NE 3.41Å; D381-R386 IonicContact OD2-NH2 3.08Å; D381-R386 PolarHBondContact OD2-NH2 2.62Å; D381-R434 IonicContact OD1-CZ 3.48Å; D381-R434 VanDerWaalsContact OD1-CZ 3.23Å; D381-R434 IonicContact OD1-NH1 3.6Å; D381-R434 PolarHBondContact OD1-NH1 2.88Å; D381-R434 IonicContact OD1-NH2 2.74Å; D381-R434 PolarHBondContact OD1-NH2 3.14Å; D381-R434 IonicContact OD2-NH1 3.39Å
382	N	84.8	Confident	89.9	Confident	143 Å²	143	59.3 Å²	59.3	77%	0.765	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.6	-174.1	-61	22.6	0	0	0	113
383	I	85	Confident	90	Very high	167 Å²	167	58.7 Å²	58.7	86%	0.856	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	8.7	-178.6	62	172.3	0	0	0	114	D381	D381-I383 PolarHBondContact O-N 2.97Å
384	G	89.5	Confident	89.8	Confident	13 Å²	13	62.8 Å²	62.8	13%	0.134	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	126	-148.2	-179.1	0	0	0	0	0	113.7	D381	D381-G384 WeakPolarHBondContact CA-O 3.43Å; D381-G384 PolarHBondContact N-O 3.36Å; D381-G384 PolarHBondContact O-N 3.35Å; D381-G384 VanDerWaalsContact O-O 3.12Å
385	W	92.6	Very high	89.8	Confident	41 Å²	41	60.2 Å²	60.2	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.8	178.9	-69.3	103.8	0	0	0	112.3	P317 D318 Y378 R380 Q435 K437	P317-W385 VanDerWaalsContact C-CD1 3.5Å; P317-W385 VanDerWaalsContact C-NE1 3.26Å; P317-W385 HydrophobicContact CB-CB 4.16Å; P317-W385 HydrophobicContact CB-CD2 4.01Å; P317-W385 HydrophobicContact CB-CG 3.7Å; P317-W385 HydrophobicContact CG-CB 3.88Å; P317-W385 HydrophobicContact CG-CG 3.88Å; P317-W385 PolarHBondContact O-NE1 2.98Å; D318-W385 PolarHBondContact OD1-NE1 2.87Å; Y378-W385 HydrophobicContact CD1-CB 4.33Å; Y378-W385 HydrophobicContact CG-CB 4.46Å; R380-W385 HydrophobicContact CB-CE3 4.09Å; R380-W385 HydrophobicContact CB-CH2 4.07Å; R380-W385 HydrophobicContact CB-CZ3 3.84Å; W385-Q435 HydrophobicContact CH2-CB 4.02Å; W385-Q435 HydrophobicContact CH2-CG 3.94Å; W385-Q435 VanDerWaalsContact CH2-OE1 3.31Å; W385-Q435 HydrophobicContact CZ3-CB 4.48Å; W385-K437 HydrophobicContact CE3-CB 4.3Å; W385-K437 HydrophobicContact CH2-CB 3.69Å; W385-K437 HydrophobicContact CH2-CD 4.28Å; W385-K437 HydrophobicContact CZ2-CB 4.3Å; W385-K437 HydrophobicContact CZ2-CD 4.08Å; W385-K437 VanDerWaalsContact CZ2-CE 3.46Å; W385-K437 HydrophobicContact CZ3-CB 3.68Å
386	R	91.8	Very high	89.7	Confident	152 Å²	152	57.6 Å²	57.6	57%	0.574	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	124.3	176.4	-174	-163.2	-68.2	-148	0.2	109.6	Y378 C379 D381	Y378-R386 CarbonylContact C-O 3.54Å; Y378-R386 VanDerWaalsContact CA-O 3.31Å; Y378-R386 WeakPolarHBondContact CA-O 3.25Å; C379-R386 PolarHBondContact N-O 2.96Å; C379-R386 PolarHBondContact O-N 3.32Å; D381-R386 IonicContact OD2-CZ 3.34Å; D381-R386 VanDerWaalsContact OD2-CZ 3.26Å; D381-R386 IonicContact OD2-NE 2.74Å; D381-R386 PolarHBondContact OD2-NE 3.41Å; D381-R386 IonicContact OD2-NH2 3.08Å; D381-R386 PolarHBondContact OD2-NH2 2.62Å
387	E	92.5	Very high	89.5	Confident	91 Å²	91	58.4 Å²	58.4	43%	0.425	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.6	175.5	-163.2	174.4	128.4	0	0	111.4	K376 Y378	K376-E387 WeakPolarHBondContact CD-OE1 3.33Å; K376-E387 WeakPolarHBondContact CE-OE1 3.11Å; K376-E387 IonicContact NZ-OE1 2.72Å; K376-E387 PolarHBondContact NZ-OE1 3.18Å; K376-E387 IonicContact NZ-OE2 2.66Å; Y378-E387 HydrophobicContact CD1-CB 3.97Å; Y378-E387 HydrophobicContact CD1-CG 4.33Å; Y378-E387 HydrophobicContact CE1-CB 3.75Å; Y378-E387 HydrophobicContact CE1-CG 3.88Å; Y378-E387 PolarHBondContact OH-OE2 3.42Å
388	Y	91.1	Very high	89.4	Confident	20 Å²	20	61.3 Å²	61.3	8%	0.078	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-76	145	170.1	-79	-72.7	0	0	0	111.3	Y377 C379 V392 I396 F409 L418 Q425 I436	Y377-Y388 PolarHBondContact O-N 2.79Å; C379-Y388 HydrophobicContact CB-CE1 4.24Å; C379-Y388 HydrophobicContact CB-CE2 3.74Å; C379-Y388 WeakPolarHBondContact CB-OH 3.46Å; C379-Y388 PolarHBondContact SG-OH 3.5Å; C379-Y388 VanDerWaalsContact SG-OH 3.34Å; Y388-V392 HydrophobicContact CD1-CB 4.28Å; Y388-V392 HydrophobicContact CD1-CG1 3.68Å; Y388-V392 HydrophobicContact CE1-CG1 4.22Å; Y388-V392 HydrophobicContact CG-CG1 4.19Å; Y388-I396 HydrophobicContact CD2-CD1 4.5Å; Y388-F409 AromaticContact CE1-CZ 3.92Å; Y388-F409 HydrophobicContact CE1-CZ 3.92Å; Y388-L418 HydrophobicContact CE1-CD1 4.48Å; Y388-L418 WeakPolarHBondContact OH-CD1 3.5Å; Y388-Q425 WeakPolarHBondContact OH-CB 3.37Å; Y388-Q425 PolarHBondContact OH-OE1 2.98Å; Y388-I436 HydrophobicContact CE2-CG1 4.48Å; Y388-I436 HydrophobicContact CE2-CG2 4.28Å
389	S	89.4	Confident	89.2	Confident	65 Å²	65	59.8 Å²	59.8	46%	0.455	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-68.5	148.7	173.7	57.9	0	0	0	0	111.5	P391 V392 V393	S389-P391 VanDerWaalsContact C-CD 3.41Å; S389-P391 VanDerWaalsContact C-N 3.33Å; S389-P391 VanDerWaalsContact O-N 3.17Å; S389-V392 WeakPolarHBondContact O-CA 3.46Å; S389-V392 WeakPolarHBondContact O-CB 3.49Å; S389-V392 PolarHBondContact O-N 2.95Å; S389-V393 PolarHBondContact O-N 3.42Å
390	E	87.3	Confident	89	Confident	86 Å²	86	61.8 Å²	61.8	40%	0.402	31%	0.307	S	S	.	.	H	α-helix	trans	-50.7	-38.8	-176.3	-170	-166.4	131.8	0	0	115.1	A362 V392 V393 K394	A362-E390 WeakPolarHBondContact CB-OE2 3.36Å; E390-V392 VanDerWaalsContact C-N 3.28Å; E390-V392 PolarHBondContact O-N 3.04Å; E390-V393 PolarHBondContact O-N 3.26Å; E390-K394 HydrophobicContact CG-CD 4.34Å; E390-K394 WeakPolarHBondContact O-CG 3.49Å; E390-K394 PolarHBondContact O-N 2.93Å; E390-K394 VanDerWaalsContact OE1-CE 3.28Å; E390-K394 WeakPolarHBondContact OE1-CE 3.28Å; E390-K394 IonicContact OE1-NZ 2.71Å; E390-K394 PolarHBondContact OE1-NZ 3.17Å
391	P	88.6	Confident	88.7	Confident	69 Å²	69	62.1 Å²	62.1	45%	0.448	32%	0.324	S	S	.	.	H	α-helix	trans	-63.3	-32.2	174.5	-23.1	35.5	0	0	0	113.4	S389 L395	S389-P391 VanDerWaalsContact C-CD 3.41Å; S389-P391 VanDerWaalsContact C-N 3.33Å; S389-P391 VanDerWaalsContact O-N 3.17Å; P391-L395 WeakPolarHBondContact O-CG 3.5Å; P391-L395 PolarHBondContact O-N 3.36Å
392	V	88.6	Confident	88.9	Confident	9 Å²	9	67.4 Å²	67.4	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-75.2	-41.7	174.5	-177	0	0	0	0	110	Y388 S389 E390 K394 L395 I396 F409 T411	Y388-V392 HydrophobicContact CD1-CB 4.28Å; Y388-V392 HydrophobicContact CD1-CG1 3.68Å; Y388-V392 HydrophobicContact CE1-CG1 4.22Å; Y388-V392 HydrophobicContact CG-CG1 4.19Å; S389-V392 WeakPolarHBondContact O-CA 3.46Å; S389-V392 WeakPolarHBondContact O-CB 3.49Å; S389-V392 PolarHBondContact O-N 2.95Å; E390-V392 VanDerWaalsContact C-N 3.28Å; E390-V392 PolarHBondContact O-N 3.04Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 3.09Å; V392-L395 PolarHBondContact O-N 3.05Å; V392-I396 HydrophobicContact CG1-CD1 4.12Å; V392-I396 VanDerWaalsContact O-CG1 3.27Å; V392-I396 WeakPolarHBondContact O-CG1 3.46Å; V392-I396 PolarHBondContact O-N 3.42Å; V392-F409 HydrophobicContact CG1-CD1 4.47Å; V392-F409 HydrophobicContact CG1-CD2 4.06Å; V392-F409 HydrophobicContact CG1-CE1 4.38Å; V392-F409 HydrophobicContact CG1-CE2 3.96Å; V392-F409 HydrophobicContact CG1-CG 4.33Å; V392-F409 HydrophobicContact CG1-CZ 4.13Å; V392-F409 HydrophobicContact CG2-CD2 3.75Å; V392-F409 HydrophobicContact CG2-CE2 3.93Å; V392-T411 HydrophobicContact CG2-CG2 4.46Å
393	V	89.1	Confident	89	Confident	22 Å²	22	63.6 Å²	63.6	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-56.9	-43.9	174	175	0	0	0	0	111.5	Y377 S389 E390 L395 I396 E397	Y377-V393 HydrophobicContact CD2-CB 4.49Å; Y377-V393 HydrophobicContact CD2-CG1 3.83Å; Y377-V393 HydrophobicContact CD2-CG2 4.24Å; Y377-V393 HydrophobicContact CE2-CG1 4.11Å; S389-V393 PolarHBondContact O-N 3.42Å; E390-V393 PolarHBondContact O-N 3.26Å; V393-L395 PolarHBondContact O-N 2.73Å; V393-I396 WeakPolarHBondContact O-CB 3.44Å; V393-I396 PolarHBondContact O-N 2.55Å; V393-I396 VanDerWaalsContact O-N 3.12Å; V393-E397 HydrophobicContact CG1-CG 4.43Å; V393-E397 PolarHBondContact O-N 2.74Å
394	K	87.1	Confident	89.2	Confident	98 Å²	98	58 Å²	58	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-44.1	176.4	-76.7	172.5	171.8	170.8	0	112.5	E390 V392 I396 E397 E398	E390-K394 HydrophobicContact CG-CD 4.34Å; E390-K394 WeakPolarHBondContact O-CG 3.49Å; E390-K394 PolarHBondContact O-N 2.93Å; E390-K394 VanDerWaalsContact OE1-CE 3.28Å; E390-K394 WeakPolarHBondContact OE1-CE 3.28Å; E390-K394 IonicContact OE1-NZ 2.71Å; E390-K394 PolarHBondContact OE1-NZ 3.17Å; V392-K394 VanDerWaalsContact C-N 3.3Å; V392-K394 PolarHBondContact O-N 3.09Å; K394-I396 VanDerWaalsContact C-N 3.27Å; K394-I396 PolarHBondContact O-N 2.87Å; K394-E397 PolarHBondContact O-N 2.96Å; K394-E398 VanDerWaalsContact O-CB 3.26Å; K394-E398 WeakPolarHBondContact O-CB 3.34Å; K394-E398 PolarHBondContact O-N 3.13Å
395	L	88.7	Confident	89.1	Confident	18 Å²	18	64.5 Å²	64.5	9%	0.094	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-33.7	173.8	-72.1	168.2	0	0	0	112.6	I45 V48 P391 V392 V393 A399 V407 F409	I45-L395 HydrophobicContact CG2-CD2 3.96Å; V48-L395 HydrophobicContact CB-CD1 4.35Å; V48-L395 HydrophobicContact CG2-CD1 4.48Å; V48-L395 HydrophobicContact CG2-CD2 4.13Å; P391-L395 WeakPolarHBondContact O-CG 3.5Å; P391-L395 PolarHBondContact O-N 3.36Å; V392-L395 PolarHBondContact O-N 3.05Å; V393-L395 PolarHBondContact O-N 2.73Å; L395-A399 WeakPolarHBondContact O-CB 3.32Å; L395-A399 PolarHBondContact O-N 3.01Å; L395-A399 VanDerWaalsContact O-N 3.09Å; L395-V407 HydrophobicContact CB-CG1 4.26Å; L395-F409 HydrophobicContact CD1-CB 4.29Å
396	I	88.9	Confident	88.9	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-71.4	-48.7	177.9	-62.2	167	0	0	0	111.1	Y377 Y388 V392 V393 K394 A399 S400 L418 I420	Y377-I396 HydrophobicContact CD1-CD1 4.08Å; Y377-I396 HydrophobicContact CD1-CG2 4.01Å; Y377-I396 HydrophobicContact CE1-CB 4.36Å; Y377-I396 HydrophobicContact CE1-CG2 3.37Å; Y377-I396 HydrophobicContact CE2-CG2 4.33Å; Y377-I396 HydrophobicContact CG-CD1 4.17Å; Y388-I396 HydrophobicContact CD2-CD1 4.5Å; V392-I396 HydrophobicContact CG1-CD1 4.12Å; V392-I396 VanDerWaalsContact O-CG1 3.27Å; V392-I396 WeakPolarHBondContact O-CG1 3.46Å; V392-I396 PolarHBondContact O-N 3.42Å; V393-I396 WeakPolarHBondContact O-CB 3.44Å; V393-I396 PolarHBondContact O-N 2.55Å; V393-I396 VanDerWaalsContact O-N 3.12Å; K394-I396 VanDerWaalsContact C-N 3.27Å; K394-I396 PolarHBondContact O-N 2.87Å; I396-A399 PolarHBondContact O-N 3.29Å; I396-S400 VanDerWaalsContact O-CB 3.3Å; I396-S400 WeakPolarHBondContact O-CB 3.23Å; I396-S400 PolarHBondContact O-N 3.26Å; I396-S400 PolarHBondContact O-OG 2.82Å; I396-L418 HydrophobicContact CD1-CD2 3.6Å; I396-L418 HydrophobicContact CG1-CD2 3.4Å; I396-L418 VanDerWaalsContact CG1-CD2 3.4Å; I396-I420 HydrophobicContact CG2-CD1 4.12Å; I396-I420 HydrophobicContact CG2-CG1 4.38Å
397	E	88.4	Confident	88.8	Confident	61 Å²	61	59.9 Å²	59.9	29%	0.285	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-40.9	-179.9	-63.9	-75.8	-156.5	0	0	111.2	Y377 V393 K394 S400 S401 K438	Y377-E397 HydrophobicContact CE2-CG 4.05Å; Y377-E397 WeakPolarHBondContact CE2-OE1 3.48Å; Y377-E397 PolarHBondContact OH-OE1 2.99Å; Y377-E397 PolarHBondContact OH-OE2 3.32Å; V393-E397 HydrophobicContact CG1-CG 4.43Å; V393-E397 PolarHBondContact O-N 2.74Å; K394-E397 PolarHBondContact O-N 2.96Å; E397-S400 PolarHBondContact O-N 3.38Å; E397-S401 PolarHBondContact O-N 3Å; E397-S401 PolarHBondContact O-OG 3.18Å; E397-K438 VanDerWaalsContact OE1-CE 3.28Å; E397-K438 WeakPolarHBondContact OE1-CE 3.34Å; E397-K438 IonicContact OE1-NZ 2.72Å; E397-K438 PolarHBondContact OE1-NZ 3.46Å; E397-K438 IonicContact OE2-NZ 2.64Å; E397-K438 PolarHBondContact OE2-NZ 3.01Å
398	E	89	Confident	88.7	Confident	74 Å²	74	62.8 Å²	62.8	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-62.4	-41.8	175	179.6	179	-171	0	0	112.4	I45 K394 S401 R402	I45-E398 HydrophobicContact CD1-CG 4.24Å; K394-E398 VanDerWaalsContact O-CB 3.26Å; K394-E398 WeakPolarHBondContact O-CB 3.34Å; K394-E398 PolarHBondContact O-N 3.13Å; E398-S401 PolarHBondContact O-OG 3.18Å; E398-S401 VanDerWaalsContact O-OG 3.07Å; E398-R402 WeakPolarHBondContact O-CB 3.28Å; E398-R402 WeakPolarHBondContact O-CD 3.46Å; E398-R402 WeakPolarHBondContact O-CG 3.48Å; E398-R402 PolarHBondContact O-N 2.73Å; E398-R402 IonicContact OE1-CZ 3.23Å; E398-R402 IonicContact OE1-NE 3.89Å; E398-R402 PolarHBondContact OE1-NE 2.89Å; E398-R402 IonicContact OE1-NH2 2.86Å; E398-R402 PolarHBondContact OE1-NH2 3.13Å
399	A	89.3	Confident	88.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-70.4	-35.8	176	0	0	0	0	0	112.2	I45 L395 I396 R402 G403 L404 V407 I420	I45-A399 HydrophobicContact CD1-CB 4.12Å; L395-A399 WeakPolarHBondContact O-CB 3.32Å; L395-A399 PolarHBondContact O-N 3.01Å; L395-A399 VanDerWaalsContact O-N 3.09Å; I396-A399 PolarHBondContact O-N 3.29Å; A399-R402 CarbonylContact O-C 3.57Å; A399-R402 PolarHBondContact O-N 3.45Å; A399-G403 PolarHBondContact O-N 2.78Å; A399-G403 VanDerWaalsContact O-N 3.14Å; A399-L404 HydrophobicContact CB-CB 4.11Å; A399-L404 HydrophobicContact CB-CD1 4.08Å; A399-L404 WeakPolarHBondContact O-CB 3.47Å; A399-L404 PolarHBondContact O-N 3.36Å; A399-V407 HydrophobicContact CB-CG2 3.08Å; A399-I420 HydrophobicContact CB-CD1 3.7Å
400	S	88	Confident	88.4	Confident	46 Å²	46	60.9 Å²	60.9	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-64.9	-44.1	176.5	-57.9	0	0	0	0	111.4	I396 E397 R402 G403	I396-S400 VanDerWaalsContact O-CB 3.3Å; I396-S400 WeakPolarHBondContact O-CB 3.23Å; I396-S400 PolarHBondContact O-N 3.26Å; I396-S400 PolarHBondContact O-OG 2.82Å; E397-S400 PolarHBondContact O-N 3.38Å; S400-R402 VanDerWaalsContact C-N 3.29Å; S400-R402 PolarHBondContact O-N 3.18Å; S400-G403 PolarHBondContact O-N 3.38Å
401	S	87.2	Confident	88.1	Confident	103 Å²	103	58.8 Å²	58.8	72%	0.72	31%	0.306	S	S	*	.	H	α-helix	trans	-69.3	-25.3	177	64.4	0	0	0	0	113.3	E397 E398 G403	E397-S401 PolarHBondContact O-N 3Å; E397-S401 PolarHBondContact O-OG 3.18Å; E398-S401 PolarHBondContact O-OG 3.18Å; E398-S401 VanDerWaalsContact O-OG 3.07Å; S401-G403 VanDerWaalsContact C-N 3.32Å
402	R	89.3	Confident	87.6	Confident	135 Å²	135	62.7 Å²	62.7	51%	0.509	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.1	168.7	-66.8	166.1	-177.7	-107.6	11.7	114	E398 A399 S400 L404	E398-R402 WeakPolarHBondContact O-CB 3.28Å; E398-R402 WeakPolarHBondContact O-CD 3.46Å; E398-R402 WeakPolarHBondContact O-CG 3.48Å; E398-R402 PolarHBondContact O-N 2.73Å; E398-R402 IonicContact OE1-CZ 3.23Å; E398-R402 IonicContact OE1-NE 3.89Å; E398-R402 PolarHBondContact OE1-NE 2.89Å; E398-R402 IonicContact OE1-NH2 2.86Å; E398-R402 PolarHBondContact OE1-NH2 3.13Å; A399-R402 CarbonylContact O-C 3.57Å; A399-R402 PolarHBondContact O-N 3.45Å; S400-R402 VanDerWaalsContact C-N 3.29Å; S400-R402 PolarHBondContact O-N 3.18Å; R402-L404 VanDerWaalsContact C-N 3.28Å; R402-L404 HydrophobicContact CB-CD1 4.4Å; R402-L404 HydrophobicContact CB-CG 4Å; R402-L404 PolarHBondContact O-N 3.44Å
403	G	88	Confident	87.1	Confident	62 Å²	62	70.2 Å²	70.2	64%	0.639	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	16	-179.2	0	0	0	0	0	115.6	A399 S400 S401	A399-G403 PolarHBondContact O-N 2.78Å; A399-G403 VanDerWaalsContact O-N 3.14Å; S400-G403 PolarHBondContact O-N 3.38Å; S401-G403 VanDerWaalsContact C-N 3.32Å
404	L	88.6	Confident	86.7	Confident	49 Å²	49	71.6 Å²	71.6	26%	0.257	36%	0.363	S	S	.	.			trans	-72.5	134.6	-177.4	-59.3	-179.4	0	0	0	111.6	I45 A399 R402	I45-L404 HydrophobicContact CD1-CD1 3.6Å; I45-L404 HydrophobicContact CG1-CD1 4.1Å; A399-L404 HydrophobicContact CB-CB 4.11Å; A399-L404 HydrophobicContact CB-CD1 4.08Å; A399-L404 WeakPolarHBondContact O-CB 3.47Å; A399-L404 PolarHBondContact O-N 3.36Å; R402-L404 VanDerWaalsContact C-N 3.28Å; R402-L404 HydrophobicContact CB-CD1 4.4Å; R402-L404 HydrophobicContact CB-CG 4Å; R402-L404 PolarHBondContact O-N 3.44Å
405	K	87.6	Confident	86.8	Confident	150 Å²	150	72.1 Å²	72.1	65%	0.652	37%	0.368	S	S	*	.	S	Bend	trans	-76.4	-33.6	179.4	-60.5	172.7	-172.2	168.7	0	112.7	N419 I420	K405-N419 WeakPolarHBondContact O-CA 3.29Å; K405-I420 PolarHBondContact O-N 2.71Å
406	E	89.3	Confident	86.8	Confident	85 Å²	85	73.2 Å²	73.2	40%	0.397	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146	-177.4	-65.6	-167.3	168.5	0	0	112.4	R408 I417 L418	E406-R408 IonicContact OE2-NH2 2.61Å; E406-I417 HydrophobicContact CB-CG2 4.42Å; E406-I417 HydrophobicContact CG-CG2 4.28Å; E406-I417 WeakPolarHBondContact OE2-CG2 3.38Å; E406-L418 CarbonylContact C-O 3.56Å; E406-L418 VanDerWaalsContact CA-O 3.29Å; E406-L418 WeakPolarHBondContact CA-O 3.32Å
407	V	90	Very high	86.9	Confident	12 Å²	12	74.4 Å²	74.4	7%	0.073	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.8	166.1	170.9	0	0	0	0	109.5	L395 A399 L418 I420	L395-V407 HydrophobicContact CB-CG1 4.26Å; A399-V407 HydrophobicContact CB-CG2 3.08Å; V407-L418 HydrophobicContact CB-CB 4.33Å; V407-L418 PolarHBondContact N-O 2.95Å; V407-L418 PolarHBondContact O-N 3.06Å; V407-I420 HydrophobicContact CG2-CD1 3.69Å
408	R	90.3	Very high	87	Confident	152 Å²	152	71.6 Å²	71.6	57%	0.574	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.2	172.2	-60.3	-172.1	-176.8	-175.1	0.5	110.1	L47 E406 Y416 I417	L47-R408 HydrophobicContact CD2-CB 4.24Å; L47-R408 WeakPolarHBondContact CD2-O 3.21Å; E406-R408 IonicContact OE2-NH2 2.61Å; R408-Y416 WeakPolarHBondContact CA-O 3.29Å; R408-I417 HydrophobicContact CG-CG1 4.19Å
409	F	88.3	Confident	87	Confident	7 Å²	7	68.5 Å²	68.5	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.9	-178.8	74.5	-77.3	0	0	0	111	Y388 V392 L395 T411 Y416 L418	Y388-F409 AromaticContact CE1-CZ 3.92Å; Y388-F409 HydrophobicContact CE1-CZ 3.92Å; V392-F409 HydrophobicContact CG1-CD1 4.47Å; V392-F409 HydrophobicContact CG1-CD2 4.06Å; V392-F409 HydrophobicContact CG1-CE1 4.38Å; V392-F409 HydrophobicContact CG1-CE2 3.96Å; V392-F409 HydrophobicContact CG1-CG 4.33Å; V392-F409 HydrophobicContact CG1-CZ 4.13Å; V392-F409 HydrophobicContact CG2-CD2 3.75Å; V392-F409 HydrophobicContact CG2-CE2 3.93Å; L395-F409 HydrophobicContact CD1-CB 4.29Å; F409-T411 HydrophobicContact CD2-CG2 3.94Å; F409-T411 HydrophobicContact CE2-CG2 3.79Å; F409-Y416 HydrophobicContact CE1-CG 4.39Å; F409-Y416 HydrophobicContact CE2-CD2 4.14Å; F409-Y416 HydrophobicContact CZ-CD2 4.02Å; F409-Y416 HydrophobicContact CZ-CG 4.11Å; F409-Y416 PolarHBondContact N-O 3.37Å; F409-Y416 VanDerWaalsContact N-O 3.1Å; F409-Y416 PolarHBondContact O-N 2.87Å; F409-L418 HydrophobicContact CD1-CB 4.44Å; F409-L418 HydrophobicContact CE1-CB 4.16Å; F409-L418 HydrophobicContact CE1-CD1 3.86Å
410	I	85.2	Confident	86.8	Confident	38 Å²	38	70.6 Å²	70.6	20%	0.195	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.7	-177.4	-50.2	-175.4	0	0	0	109	P50 N414 Q415	P50-I410 WeakPolarHBondContact CD-O 3.19Å; I410-N414 WeakPolarHBondContact CA-O 3.48Å; I410-Q415 HydrophobicContact CD1-CG 4.26Å; I410-Q415 HydrophobicContact CG1-CG 4.17Å
411	T	80.3	Confident	86.4	Confident	42 Å²	42	76.4 Å²	76.4	26%	0.258	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.5	170.2	46.7	0	0	0	0	110.5	V392 F409 Q413 N414 Y416	V392-T411 HydrophobicContact CG2-CG2 4.46Å; F409-T411 HydrophobicContact CD2-CG2 3.94Å; F409-T411 HydrophobicContact CE2-CG2 3.79Å; T411-Q413 PolarHBondContact O-N 3.44Å; T411-N414 PolarHBondContact N-O 3.31Å; T411-N414 PolarHBondContact O-N 3.44Å; T411-Y416 WeakPolarHBondContact OG1-CE2 3.39Å
412	L	78.6	Confident	86.3	Confident	151 Å²	151	77.7 Å²	77.7	79%	0.791	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	-119.8	-168.3	-52.1	176.2	0	0	0	109.6
413	Q	77	Confident	86.2	Confident	166 Å²	166	72.3 Å²	72.3	78%	0.776	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.9	172.3	-60.5	94.2	-31.7	0	0	114.1	T411	T411-Q413 PolarHBondContact O-N 3.44Å
414	N	82.1	Confident	86.4	Confident	51 Å²	51	70.4 Å²	70.4	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133	-173.9	-78	-72.7	0	0	0	112.1	I410 T411 Y416 N427	I410-N414 WeakPolarHBondContact CA-O 3.48Å; T411-N414 PolarHBondContact N-O 3.31Å; T411-N414 PolarHBondContact O-N 3.44Å; N414-Y416 HydrophobicContact CB-CD2 4.2Å; N414-Y416 HydrophobicContact CB-CE1 4.49Å; N414-Y416 HydrophobicContact CB-CE2 3.39Å; N414-N427 PolarHBondContact OD1-ND2 3.43Å
415	Q	88.2	Confident	86.5	Confident	110 Å²	110	68.7 Å²	68.7	51%	0.514	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.4	168.5	-56.6	-171.1	16.6	0	0	109.6	I410 A428	I410-Q415 HydrophobicContact CD1-CG 4.26Å; I410-Q415 HydrophobicContact CG1-CG 4.17Å; Q415-A428 HydrophobicContact CB-CB 3.99Å; Q415-A428 PolarHBondContact O-N 3.37Å
416	Y	90.3	Very high	86.7	Confident	41 Å²	41	63.8 Å²	63.8	16%	0.161	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.9	179.5	-65.6	-77.4	0	0	0	111.2	R408 F409 T411 N414 Q425 Q426 N427	R408-Y416 WeakPolarHBondContact CA-O 3.29Å; F409-Y416 HydrophobicContact CE1-CG 4.39Å; F409-Y416 HydrophobicContact CE2-CD2 4.14Å; F409-Y416 HydrophobicContact CZ-CD2 4.02Å; F409-Y416 HydrophobicContact CZ-CG 4.11Å; F409-Y416 PolarHBondContact N-O 3.37Å; F409-Y416 VanDerWaalsContact N-O 3.1Å; F409-Y416 PolarHBondContact O-N 2.87Å; T411-Y416 WeakPolarHBondContact OG1-CE2 3.39Å; N414-Y416 HydrophobicContact CB-CD2 4.2Å; N414-Y416 HydrophobicContact CB-CE1 4.49Å; N414-Y416 HydrophobicContact CB-CE2 3.39Å; Y416-Q425 HydrophobicContact CD1-CG 3.74Å; Y416-Q425 HydrophobicContact CG-CG 4.05Å; Y416-Q426 WeakPolarHBondContact CA-O 3.16Å; Y416-N427 HydrophobicContact CD1-CB 4.12Å; Y416-N427 HydrophobicContact CE1-CB 3.91Å
417	I	90.7	Very high	86.8	Confident	28 Å²	28	60.2 Å²	60.2	14%	0.144	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.8	166.3	-54.2	174.2	0	0	0	106.4	E406 R408 Q425 Q426 A428	E406-I417 HydrophobicContact CB-CG2 4.42Å; E406-I417 HydrophobicContact CG-CG2 4.28Å; E406-I417 WeakPolarHBondContact OE2-CG2 3.38Å; R408-I417 HydrophobicContact CG-CG1 4.19Å; I417-Q425 CarbonylContact O-C 3.59Å; I417-Q425 WeakPolarHBondContact O-CA 3.3Å; I417-Q426 PolarHBondContact N-O 2.94Å; I417-Q426 PolarHBondContact O-N 3.24Å; I417-A428 HydrophobicContact CD1-CB 4.36Å; I417-A428 HydrophobicContact CG1-CB 4.18Å
418	L	90.9	Very high	86.6	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	101.3	-177	-163.3	98.9	0	0	0	108	Y388 I396 E406 V407 F409 I420 Q425 I436	Y388-L418 HydrophobicContact CE1-CD1 4.48Å; Y388-L418 WeakPolarHBondContact OH-CD1 3.5Å; I396-L418 HydrophobicContact CD1-CD2 3.6Å; I396-L418 HydrophobicContact CG1-CD2 3.4Å; I396-L418 VanDerWaalsContact CG1-CD2 3.4Å; E406-L418 CarbonylContact C-O 3.56Å; E406-L418 VanDerWaalsContact CA-O 3.29Å; E406-L418 WeakPolarHBondContact CA-O 3.32Å; V407-L418 HydrophobicContact CB-CB 4.33Å; V407-L418 PolarHBondContact N-O 2.95Å; V407-L418 PolarHBondContact O-N 3.06Å; F409-L418 HydrophobicContact CD1-CB 4.44Å; F409-L418 HydrophobicContact CE1-CB 4.16Å; F409-L418 HydrophobicContact CE1-CD1 3.86Å; L418-I420 HydrophobicContact CD2-CG1 4.1Å; L418-I420 PolarHBondContact O-N 3.48Å; L418-Q425 HydrophobicContact CD1-CB 3.9Å; L418-Q425 HydrophobicContact CD1-CG 4.04Å; L418-I436 HydrophobicContact CD1-CD1 3.35Å; L418-I436 HydrophobicContact CD1-CG1 4.15Å; L418-I436 HydrophobicContact CD2-CD1 4.16Å; L418-I436 HydrophobicContact CG-CD1 3.47Å; L418-I436 VanDerWaalsContact CG-CD1 3.47Å
419	N	89.1	Confident	86.4	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.043	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	106.9	174.2	-174.4	-36.3	0	0	0	107.9	K405 K421 E422 G423 F424	K405-N419 WeakPolarHBondContact O-CA 3.29Å; N419-K421 PolarHBondContact OD1-N 2.81Å; N419-K421 VanDerWaalsContact OD1-N 3.16Å; N419-E422 VanDerWaalsContact ND2-CD 3.29Å; N419-E422 PolarHBondContact ND2-OE1 3.02Å; N419-E422 PolarHBondContact OD1-N 2.69Å; N419-G423 PolarHBondContact O-N 2.89Å; N419-G423 VanDerWaalsContact O-N 3.07Å; N419-F424 HydrophobicContact CB-CD1 4.14Å; N419-F424 HydrophobicContact CB-CD2 4.48Å; N419-F424 HydrophobicContact CB-CE1 3.73Å; N419-F424 HydrophobicContact CB-CE2 4.08Å; N419-F424 HydrophobicContact CB-CG 4.49Å; N419-F424 HydrophobicContact CB-CZ 3.67Å; N419-F424 PolarHBondContact N-O 3.5Å; N419-F424 PolarHBondContact O-N 3.12Å
420	I	84.8	Confident	86.2	Confident	44 Å²	44	66.8 Å²	66.8	23%	0.226	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-37.4	-175.6	-64.7	177.7	0	0	0	110.1	I396 A399 K405 V407 L418	I396-I420 HydrophobicContact CG2-CD1 4.12Å; I396-I420 HydrophobicContact CG2-CG1 4.38Å; A399-I420 HydrophobicContact CB-CD1 3.7Å; K405-I420 PolarHBondContact O-N 2.71Å; V407-I420 HydrophobicContact CG2-CD1 3.69Å; L418-I420 HydrophobicContact CD2-CG1 4.1Å; L418-I420 PolarHBondContact O-N 3.48Å
421	K	79.5	Confident	86.3	Confident	169 Å²	169	66.7 Å²	66.7	74%	0.735	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-42.2	-176.4	-173.3	-179.1	177.5	-174.9	0	112.7	N419	N419-K421 PolarHBondContact OD1-N 2.81Å; N419-K421 VanDerWaalsContact OD1-N 3.16Å
422	E	84.2	Confident	86.7	Confident	130 Å²	130	70.3 Å²	70.3	61%	0.607	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.2	179.8	-67.8	165	-116.8	0	0	112.7	N419 F424	N419-E422 VanDerWaalsContact ND2-CD 3.29Å; N419-E422 PolarHBondContact ND2-OE1 3.02Å; N419-E422 PolarHBondContact OD1-N 2.69Å; E422-F424 HydrophobicContact CB-CD1 3.68Å; E422-F424 HydrophobicContact CB-CE1 3.59Å; E422-F424 HydrophobicContact CG-CE1 4.41Å; E422-F424 PolarHBondContact O-N 2.86Å; E422-F424 WeakPolarHBondContact OE2-CE1 3.35Å
423	G	87.8	Confident	87.3	Confident	22 Å²	22	70 Å²	70	23%	0.227	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	39.4	171.8	0	0	0	0	0	114.3	N419 I436	N419-G423 PolarHBondContact O-N 2.89Å; N419-G423 VanDerWaalsContact O-N 3.07Å; G423-I436 PolarHBondContact O-N 3.37Å
424	F	90.9	Very high	88	Confident	22 Å²	22	64.8 Å²	64.8	10%	0.096	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.1	174.4	73.2	-95	0	0	0	114.6	N419 E422 Q426 R433 R434 I436	N419-F424 HydrophobicContact CB-CD1 4.14Å; N419-F424 HydrophobicContact CB-CD2 4.48Å; N419-F424 HydrophobicContact CB-CE1 3.73Å; N419-F424 HydrophobicContact CB-CE2 4.08Å; N419-F424 HydrophobicContact CB-CG 4.49Å; N419-F424 HydrophobicContact CB-CZ 3.67Å; N419-F424 PolarHBondContact N-O 3.5Å; N419-F424 PolarHBondContact O-N 3.12Å; E422-F424 HydrophobicContact CB-CD1 3.68Å; E422-F424 HydrophobicContact CB-CE1 3.59Å; E422-F424 HydrophobicContact CG-CE1 4.41Å; E422-F424 PolarHBondContact O-N 2.86Å; E422-F424 WeakPolarHBondContact OE2-CE1 3.35Å; F424-Q426 HydrophobicContact CD2-CB 4.09Å; F424-Q426 HydrophobicContact CE2-CB 3.88Å; F424-R433 HydrophobicContact CD2-CB 4.4Å; F424-R433 HydrophobicContact CD2-CG 3.91Å; F424-R433 HydrophobicContact CE2-CG 4.22Å; F424-R434 CarbonylContact C-O 3.56Å; F424-R434 VanDerWaalsContact CA-O 3.26Å; F424-R434 WeakPolarHBondContact CA-O 3.3Å; F424-I436 WeakPolarHBondContact O-CD1 3.35Å
425	Q	91.6	Very high	88.4	Confident	13 Å²	13	66.6 Å²	66.6	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.6	168.2	-175.6	-160.9	-95.2	0	0	109	Y388 Y416 I417 L418 R433 R434 I436	Y388-Q425 WeakPolarHBondContact OH-CB 3.37Å; Y388-Q425 PolarHBondContact OH-OE1 2.98Å; Y416-Q425 HydrophobicContact CD1-CG 3.74Å; Y416-Q425 HydrophobicContact CG-CG 4.05Å; I417-Q425 CarbonylContact O-C 3.59Å; I417-Q425 WeakPolarHBondContact O-CA 3.3Å; L418-Q425 HydrophobicContact CD1-CB 3.9Å; L418-Q425 HydrophobicContact CD1-CG 4.04Å; Q425-R433 CarbonylContact O-C 3.55Å; Q425-R433 WeakPolarHBondContact O-CA 3.27Å; Q425-R434 PolarHBondContact N-O 3Å; Q425-R434 PolarHBondContact O-N 3.24Å; Q425-I436 HydrophobicContact CB-CD1 4.37Å; Q425-I436 HydrophobicContact CB-CG1 4.3Å
426	Q	91.8	Very high	88.6	Confident	46 Å²	46	62.3 Å²	62.3	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.1	173.1	177.8	163.2	-29	0	0	110.3	Y416 I417 F424 A428 G431 F432 R433	Y416-Q426 WeakPolarHBondContact CA-O 3.16Å; I417-Q426 PolarHBondContact N-O 2.94Å; I417-Q426 PolarHBondContact O-N 3.24Å; F424-Q426 HydrophobicContact CD2-CB 4.09Å; F424-Q426 HydrophobicContact CE2-CB 3.88Å; Q426-A428 PolarHBondContact O-N 3.28Å; Q426-G431 WeakPolarHBondContact CG-O 3.44Å; Q426-F432 WeakPolarHBondContact CA-O 3.36Å; Q426-R433 HydrophobicContact CB-CG 4.15Å; Q426-R433 HydrophobicContact CG-CG 4.3Å
427	N	90.4	Very high	88.7	Confident	10 Å²	10	61 Å²	61	5%	0.053	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.5	167	-174.9	-69.5	0	0	0	109.2	N414 Y416 V429 F430 G431 F432	N414-N427 PolarHBondContact OD1-ND2 3.43Å; Y416-N427 HydrophobicContact CD1-CB 4.12Å; Y416-N427 HydrophobicContact CE1-CB 3.91Å; N427-V429 VanDerWaalsContact C-N 3.26Å; N427-V429 PolarHBondContact O-N 3.07Å; N427-V429 PolarHBondContact OD1-N 3.01Å; N427-F430 HydrophobicContact CB-CB 4.45Å; N427-F430 WeakPolarHBondContact OD1-CD2 3.3Å; N427-F430 PolarHBondContact OD1-N 3.2Å; N427-G431 WeakPolarHBondContact O-CA 3.39Å; N427-G431 PolarHBondContact O-N 3.28Å; N427-F432 PolarHBondContact N-O 3.29Å
428	A	87.1	Confident	88.7	Confident	47 Å²	47	63 Å²	63	39%	0.388	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.8	-173.2	0	0	0	0	0	114.1	Q415 I417 Q426	Q415-A428 HydrophobicContact CB-CB 3.99Å; Q415-A428 PolarHBondContact O-N 3.37Å; I417-A428 HydrophobicContact CD1-CB 4.36Å; I417-A428 HydrophobicContact CG1-CB 4.18Å; Q426-A428 PolarHBondContact O-N 3.28Å
429	V	85.3	Confident	88.9	Confident	106 Å²	106	63.6 Å²	63.6	64%	0.642	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-47.8	179.6	-177.8	0	0	0	0	110.9	N427	N427-V429 VanDerWaalsContact C-N 3.26Å; N427-V429 PolarHBondContact O-N 3.07Å; N427-V429 PolarHBondContact OD1-N 3.01Å
430	F	85.6	Confident	89.1	Confident	157 Å²	157	63.3 Å²	63.3	69%	0.689	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.6	-173.1	-58.3	-67.6	0	0	0	114.5	N427 F432	N427-F430 HydrophobicContact CB-CB 4.45Å; N427-F430 WeakPolarHBondContact OD1-CD2 3.3Å; N427-F430 PolarHBondContact OD1-N 3.2Å; F430-F432 PolarHBondContact O-N 2.69Å
431	G	86.5	Confident	89.5	Confident	35 Å²	35	65.4 Å²	65.4	36%	0.361	32%	0.321	S	S	.	.			trans	68.2	-12.7	-179.6	0	0	0	0	0	116.2	Q426 N427 R433	Q426-G431 WeakPolarHBondContact CG-O 3.44Å; N427-G431 WeakPolarHBondContact O-CA 3.39Å; N427-G431 PolarHBondContact O-N 3.28Å; G431-R433 PolarHBondContact O-N 2.95Å
432	F	87.5	Confident	90.2	Very high	119 Å²	119	58.2 Å²	58.2	52%	0.522	29%	0.29	S	S	.	.			trans	-57.4	127.6	-176.1	-170.1	-92.1	0	0	0	112.5	Q426 N427 F430 R434	Q426-F432 WeakPolarHBondContact CA-O 3.36Å; N427-F432 PolarHBondContact N-O 3.29Å; F430-F432 PolarHBondContact O-N 2.69Å; F432-R434 HydrophobicContact CD1-CG 3.89Å; F432-R434 HydrophobicContact CE1-CG 3.58Å
433	R	91.8	Very high	90.6	Very high	143 Å²	143	54.1 Å²	54.1	54%	0.54	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145	-178.3	-68	-174.2	172.7	-167.8	-6.3	112.3	F424 Q425 Q426 G431	F424-R433 HydrophobicContact CD2-CB 4.4Å; F424-R433 HydrophobicContact CD2-CG 3.91Å; F424-R433 HydrophobicContact CE2-CG 4.22Å; Q425-R433 CarbonylContact O-C 3.55Å; Q425-R433 WeakPolarHBondContact O-CA 3.27Å; Q426-R433 HydrophobicContact CB-CG 4.15Å; Q426-R433 HydrophobicContact CG-CG 4.3Å; G431-R433 PolarHBondContact O-N 2.95Å
434	R	91.3	Very high	90.8	Very high	57 Å²	57	53.1 Å²	53.1	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.2	177.9	-71.2	169.5	167.8	-122	-7.8	109.6	R380 D381 F424 Q425 F432	R380-R434 WeakPolarHBondContact O-CD 3.36Å; R380-R434 WeakPolarHBondContact O-CG 3.34Å; R380-R434 PolarHBondContact O-NH1 3.02Å; D381-R434 IonicContact OD1-CZ 3.48Å; D381-R434 VanDerWaalsContact OD1-CZ 3.23Å; D381-R434 IonicContact OD1-NH1 3.6Å; D381-R434 PolarHBondContact OD1-NH1 2.88Å; D381-R434 IonicContact OD1-NH2 2.74Å; D381-R434 PolarHBondContact OD1-NH2 3.14Å; D381-R434 IonicContact OD2-NH1 3.39Å; F424-R434 CarbonylContact C-O 3.56Å; F424-R434 VanDerWaalsContact CA-O 3.26Å; F424-R434 WeakPolarHBondContact CA-O 3.3Å; Q425-R434 PolarHBondContact N-O 3Å; Q425-R434 PolarHBondContact O-N 3.24Å; F432-R434 HydrophobicContact CD1-CG 3.89Å; F432-R434 HydrophobicContact CE1-CG 3.58Å
435	Q	91.9	Very high	90.7	Very high	89 Å²	89	52.9 Å²	52.9	42%	0.416	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	144.5	177.2	-163.4	-172	11.8	0	0	110.9	R380 W385	R380-Q435 HydrophobicContact CB-CB 4.14Å; R380-Q435 PolarHBondContact N-O 2.67Å; W385-Q435 HydrophobicContact CH2-CB 4.02Å; W385-Q435 HydrophobicContact CH2-CG 3.94Å; W385-Q435 VanDerWaalsContact CH2-OE1 3.31Å; W385-Q435 HydrophobicContact CZ3-CB 4.48Å
436	I	91.7	Very high	90.7	Very high	21 Å²	21	52.5 Å²	52.5	11%	0.108	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.1	171.1	-57.6	162.6	0	0	0	108.1	Y377 Y378 Y388 L418 G423 F424 Q425	Y377-I436 HydrophobicContact CD1-CG2 4.3Å; Y378-I436 CarbonylContact O-C 3.54Å; Y378-I436 VanDerWaalsContact O-CA 3.26Å; Y378-I436 WeakPolarHBondContact O-CA 3.49Å; Y388-I436 HydrophobicContact CE2-CG1 4.48Å; Y388-I436 HydrophobicContact CE2-CG2 4.28Å; L418-I436 HydrophobicContact CD1-CD1 3.35Å; L418-I436 HydrophobicContact CD1-CG1 4.15Å; L418-I436 HydrophobicContact CD2-CD1 4.16Å; L418-I436 HydrophobicContact CG-CD1 3.47Å; L418-I436 VanDerWaalsContact CG-CD1 3.47Å; G423-I436 PolarHBondContact O-N 3.37Å; F424-I436 WeakPolarHBondContact O-CD1 3.35Å; Q425-I436 HydrophobicContact CB-CD1 4.37Å; Q425-I436 HydrophobicContact CB-CG1 4.3Å
437	K	91.5	Very high	90.5	Very high	14 Å²	14	52 Å²	52	6%	0.061	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	125.3	172.8	-167.4	171.7	-72.9	-175.2	0	111	P317 E320 Y377 Y378 W385 R439	P317-K437 HydrophobicContact CB-CD 4.06Å; P317-K437 WeakPolarHBondContact O-CD 3.29Å; P317-K437 PolarHBondContact O-NZ 3.45Å; E320-K437 WeakPolarHBondContact OE1-CE 3.35Å; E320-K437 IonicContact OE1-NZ 3.97Å; E320-K437 PolarHBondContact OE1-NZ 3.24Å; Y377-K437 WeakPolarHBondContact CA-O 3.29Å; Y378-K437 PolarHBondContact N-O 2.87Å; Y378-K437 PolarHBondContact O-N 3.32Å; W385-K437 HydrophobicContact CE3-CB 4.3Å; W385-K437 HydrophobicContact CH2-CB 3.69Å; W385-K437 HydrophobicContact CH2-CD 4.28Å; W385-K437 HydrophobicContact CZ2-CB 4.3Å; W385-K437 HydrophobicContact CZ2-CD 4.08Å; W385-K437 VanDerWaalsContact CZ2-CE 3.46Å; W385-K437 HydrophobicContact CZ3-CB 3.68Å; K437-R439 HydrophobicContact CD-CG 4.47Å; K437-R439 HydrophobicContact CG-CG 4.24Å
438	K	92.4	Very high	90.4	Very high	70 Å²	70	51.6 Å²	51.6	30%	0.304	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.1	168.2	-170.7	177.6	-168.5	162.5	0	108.8	W375 K376 Y377 E397	W375-K438 VanDerWaalsContact CB-CE 3.49Å; W375-K438 HydrophobicContact CD2-CD 4.35Å; W375-K438 VanDerWaalsContact CD2-CE 3.46Å; W375-K438 HydrophobicContact CD2-CG 4.43Å; W375-K438 HydrophobicContact CE3-CD 4.06Å; W375-K438 HydrophobicContact CE3-CG 3.76Å; W375-K438 HydrophobicContact CZ3-CG 4.35Å; K376-K438 WeakPolarHBondContact O-CA 3.15Å; Y377-K438 HydrophobicContact CD1-CB 4.05Å; Y377-K438 HydrophobicContact CD1-CG 4.28Å; Y377-K438 HydrophobicContact CD2-CG 4.47Å; Y377-K438 HydrophobicContact CE1-CB 3.85Å; Y377-K438 HydrophobicContact CE1-CD 3.86Å; Y377-K438 HydrophobicContact CE1-CG 3.87Å; Y377-K438 HydrophobicContact CE2-CD 4.07Å; Y377-K438 HydrophobicContact CE2-CG 4.07Å; Y377-K438 WeakPolarHBondContact OH-CD 3.48Å; Y377-K438 VanDerWaalsContact OH-CE 3.25Å; Y377-K438 WeakPolarHBondContact OH-CE 3.3Å; Y377-K438 PolarHBondContact OH-NZ 3.4Å; E397-K438 VanDerWaalsContact OE1-CE 3.28Å; E397-K438 WeakPolarHBondContact OE1-CE 3.34Å; E397-K438 IonicContact OE1-NZ 2.72Å; E397-K438 PolarHBondContact OE1-NZ 3.46Å; E397-K438 IonicContact OE2-NZ 2.64Å; E397-K438 PolarHBondContact OE2-NZ 3.01Å
439	R	94.3	Very high	90.3	Very high	14 Å²	14	51.4 Å²	51.4	5%	0.053	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.7	173.1	-70.5	-54.8	-165.9	-122.4	8.2	110.4	Y314 Q319 W375 K376 Y378 K437	Y314-R439 WeakPolarHBondContact O-CD 3.47Å; Y314-R439 PolarHBondContact O-NE 2.78Å; Q319-R439 PolarHBondContact O-NH2 3.25Å; W375-R439 VanDerWaalsContact CE3-C 3.49Å; K376-R439 PolarHBondContact N-O 3.44Å; K376-R439 PolarHBondContact O-N 3.34Å; K376-R439 VanDerWaalsContact O-O 3.06Å; Y378-R439 HydrophobicContact CE2-CB 4.26Å; K437-R439 HydrophobicContact CD-CG 4.47Å; K437-R439 HydrophobicContact CG-CG 4.24Å
440	P	94.3	Very high	90.2	Very high	1 Å²	1	50 Å²	50	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	155.1	168.3	-7	22.2	0	0	0	110.3	Y314 C315 T373 W375 F442	Y314-P440 HydrophobicContact CD1-CG 3.73Å; Y314-P440 HydrophobicContact CE1-CG 3.56Å; C315-P440 PolarHBondContact SG-O 3.46Å; C315-P440 VanDerWaalsContact SG-O 3.42Å; T373-P440 HydrophobicContact CG2-CB 4.17Å; W375-P440 HydrophobicContact CE3-CB 4.49Å; W375-P440 HydrophobicContact CE3-CG 4.28Å; W375-P440 HydrophobicContact CH2-CG 4.1Å; W375-P440 HydrophobicContact CZ3-CB 4.4Å; W375-P440 HydrophobicContact CZ3-CG 3.73Å; P440-F442 PolarHBondContact O-N 3.27Å
441	M	92.7	Very high	89.9	Confident	89 Å²	89	45.1 Å²	45.1	44%	0.438	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-72.1	118.6	160.4	-176.5	161.5	172	0	0	108.2	V374 K376 M443	V374-M441 HydrophobicContact CB-CB 4.24Å; V374-M441 WeakPolarHBondContact O-CB 3.46Å; V374-M441 PolarHBondContact O-N 3.12Å; K376-M441 VanDerWaalsContact CE-SD 3.54Å; K376-M441 HydrophobicContact CG-CB 3.94Å; M441-M443 HydrophobicContact CE-SD 4.33Å; M441-M443 HydrophobicContact CG-SD 4.42Å; M441-M443 PolarHBondContact O-N 2.93Å
442	F	94.4	Very high	89.8	Confident	18 Å²	18	43.6 Å²	43.6	8%	0.079	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-63.4	133.4	176.5	179.9	-100.6	0	0	0	110.9	E308 E311 R312 C315 P440 E531 T532	E308-F442 HydrophobicContact CG-CE2 4.14Å; E308-F442 HydrophobicContact CG-CZ 3.87Å; E311-F442 HydrophobicContact CB-CD2 4.35Å; E311-F442 HydrophobicContact CB-CE2 4.18Å; E311-F442 HydrophobicContact CG-CD2 3.83Å; E311-F442 HydrophobicContact CG-CE2 4.01Å; R312-F442 HydrophobicContact CB-CD2 4.43Å; R312-F442 HydrophobicContact CB-CE2 4.22Å; R312-F442 HydrophobicContact CG-CD1 4.38Å; R312-F442 HydrophobicContact CG-CD2 3.85Å; R312-F442 HydrophobicContact CG-CE1 3.9Å; R312-F442 HydrophobicContact CG-CE2 3.35Å; R312-F442 HydrophobicContact CG-CG 4.36Å; R312-F442 HydrophobicContact CG-CZ 3.38Å; C315-F442 HydrophobicContact CB-CB 3.72Å; P440-F442 PolarHBondContact O-N 3.27Å; F442-E531 HydrophobicContact CD1-CB 3.57Å; F442-E531 HydrophobicContact CD1-CG 4.43Å; F442-E531 HydrophobicContact CE1-CB 3.75Å; F442-E531 HydrophobicContact CE1-CG 4.42Å; F442-E531 VanDerWaalsContact CE1-OE2 3.3Å; F442-E531 WeakPolarHBondContact CE1-OE2 3.47Å; F442-T532 HydrophobicContact CB-CG2 3.42Å; F442-T532 VanDerWaalsContact CB-CG2 3.42Å; F442-T532 HydrophobicContact CD1-CG2 4.28Å; F442-T532 HydrophobicContact CD2-CG2 4.43Å; F442-T532 HydrophobicContact CG-CG2 3.78Å
443	M	91.2	Very high	89.3	Confident	44 Å²	44	43.6 Å²	43.6	22%	0.217	21%	0.208	C	C	.	.			trans	-132.5	111.3	174.8	-62.8	-61.5	-61.6	0	0	108.2	Y287 P369 M441 I447 L448	Y287-M443 VanDerWaalsContact CE1-O 3.27Å; Y287-M443 WeakPolarHBondContact CE1-O 3.46Å; Y287-M443 PolarHBondContact OH-O 3.43Å; P369-M443 HydrophobicContact CB-CE 3.8Å; P369-M443 HydrophobicContact CG-CE 4.29Å; M441-M443 HydrophobicContact CE-SD 4.33Å; M441-M443 HydrophobicContact CG-SD 4.42Å; M441-M443 PolarHBondContact O-N 2.93Å; M443-I447 HydrophobicContact CE-CB 4.47Å; M443-I447 HydrophobicContact CE-CG2 3.6Å; M443-L448 HydrophobicContact CB-CD1 3.88Å; M443-L448 HydrophobicContact CB-CD2 3.98Å; M443-L448 HydrophobicContact CB-CG 3.94Å; M443-L448 HydrophobicContact CE-CD2 4.43Å; M443-L448 WeakPolarHBondContact O-CD1 3.43Å
444	S	92	Very high	88.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.			trans	-69.8	150.2	175.9	44.6	0	0	0	0	112	E308 V446 I447 L448 Y522 E531	E308-S444 WeakPolarHBondContact OE2-CA 2.97Å; S444-V446 PolarHBondContact O-N 3.03Å; S444-V446 VanDerWaalsContact O-N 3.15Å; S444-I447 PolarHBondContact O-N 3.32Å; S444-I447 WeakPolarHBondContact OG-CG1 3.26Å; S444-L448 WeakPolarHBondContact O-CG 3.32Å; S444-L448 PolarHBondContact O-N 2.92Å; S444-Y522 WeakPolarHBondContact CB-OH 3.47Å; S444-Y522 WeakPolarHBondContact OG-CE1 3.2Å; S444-Y522 PolarHBondContact OG-OH 2.94Å; S444-E531 VanDerWaalsContact CB-OE2 3.3Å; S444-E531 WeakPolarHBondContact CB-OE2 3.43Å; S444-E531 PolarHBondContact OG-OE2 2.92Å
445	S	90.6	Very high	86.7	Confident	18 Å²	18	38 Å²	38	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-47	-39.5	167.6	52.4	0	0	0	0	112.1	E308 I447 L448 T449 R513	E308-S445 VanDerWaalsContact OE2-CB 3.28Å; E308-S445 WeakPolarHBondContact OE2-CB 3.34Å; E308-S445 PolarHBondContact OE2-N 2.86Å; E308-S445 PolarHBondContact OE2-OG 2.97Å; S445-I447 VanDerWaalsContact C-N 3.29Å; S445-I447 PolarHBondContact O-N 2.96Å; S445-L448 PolarHBondContact O-N 3.37Å; S445-L448 VanDerWaalsContact O-N 3.08Å; S445-T449 PolarHBondContact O-N 3.46Å; S445-T449 PolarHBondContact O-OG1 3.34Å; S445-R513 PolarHBondContact OG-NH2 2.86Å
446	V	90.8	Very high	84.6	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-57.5	-38.5	178.1	-173.5	0	0	0	0	113	S444 Y518 R519 Y522	S444-V446 PolarHBondContact O-N 3.03Å; S444-V446 VanDerWaalsContact O-N 3.15Å; V446-Y518 HydrophobicContact CG1-CD1 3.89Å; V446-Y518 HydrophobicContact CG1-CE1 3.97Å; V446-Y518 HydrophobicContact CG2-CE1 4.06Å; V446-R519 HydrophobicContact CG1-CG 4.03Å; V446-Y522 HydrophobicContact CB-CD1 4.15Å; V446-Y522 HydrophobicContact CB-CD2 4.28Å; V446-Y522 HydrophobicContact CB-CE1 4.19Å; V446-Y522 HydrophobicContact CB-CE2 4.34Å; V446-Y522 HydrophobicContact CB-CG 4.23Å; V446-Y522 HydrophobicContact CG1-CD1 3.94Å; V446-Y522 HydrophobicContact CG1-CD2 4.05Å; V446-Y522 HydrophobicContact CG1-CE1 4.48Å; V446-Y522 HydrophobicContact CG1-CG 3.73Å; V446-Y522 HydrophobicContact CG2-CD2 4.09Å; V446-Y522 HydrophobicContact CG2-CE2 3.97Å
447	I	88.1	Confident	82.2	Confident	37 Å²	37	37.6 Å²	37.6	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-84.5	-28.5	177.4	-60.1	-62.1	0	0	0	111.2	P369 M443 S444 S445 H451 Y522	P369-I447 HydrophobicContact CB-CG2 4.41Å; P369-I447 HydrophobicContact CG-CG2 3.96Å; M443-I447 HydrophobicContact CE-CB 4.47Å; M443-I447 HydrophobicContact CE-CG2 3.6Å; S444-I447 PolarHBondContact O-N 3.32Å; S444-I447 WeakPolarHBondContact OG-CG1 3.26Å; S445-I447 VanDerWaalsContact C-N 3.29Å; S445-I447 PolarHBondContact O-N 2.96Å; I447-H451 PolarHBondContact O-CD2 3.27Å; I447-Y522 HydrophobicContact CD1-CD1 4.07Å; I447-Y522 HydrophobicContact CD1-CE1 4.39Å; I447-Y522 HydrophobicContact CG1-CD1 4.26Å; I447-Y522 HydrophobicContact CG1-CE1 4.09Å
448	L	87.6	Confident	79.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-83	-32.7	-178	-68.9	168.2	0	0	0	114.4	L285 P286 Y287 M443 S444 S445 P450 H451 L452	L285-L448 HydrophobicContact CD2-CD1 4.31Å; P286-L448 HydrophobicContact CG-CD1 3.73Å; P286-L448 HydrophobicContact CG-CD2 4.16Å; Y287-L448 HydrophobicContact CE1-CD1 4.08Å; M443-L448 HydrophobicContact CB-CD1 3.88Å; M443-L448 HydrophobicContact CB-CD2 3.98Å; M443-L448 HydrophobicContact CB-CG 3.94Å; M443-L448 HydrophobicContact CE-CD2 4.43Å; M443-L448 WeakPolarHBondContact O-CD1 3.43Å; S444-L448 WeakPolarHBondContact O-CG 3.32Å; S444-L448 PolarHBondContact O-N 2.92Å; S445-L448 PolarHBondContact O-N 3.37Å; S445-L448 VanDerWaalsContact O-N 3.08Å; L448-P450 VanDerWaalsContact C-N 3.33Å; L448-P450 VanDerWaalsContact O-N 3.16Å; L448-H451 CarbonylContact O-C 3.58Å; L448-H451 WeakPolarHBondContact O-CA 3.42Å; L448-H451 WeakPolarHBondContact O-CB 3.39Å; L448-H451 PolarHBondContact O-N 3.31Å; L448-L452 HydrophobicContact CB-CD1 3.69Å; L448-L452 HydrophobicContact CB-CG 4.17Å; L448-L452 WeakPolarHBondContact O-CG 3.46Å; L448-L452 PolarHBondContact O-N 3.09Å; L448-L452 VanDerWaalsContact O-N 3.17Å
449	T	85.3	Confident	76.9	Confident	43 Å²	43	46.4 Å²	46.4	26%	0.264	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-50	-41.4	-175.9	-57.4	0	0	0	0	114.2	S445 H451 L452	S445-T449 PolarHBondContact O-N 3.46Å; S445-T449 PolarHBondContact O-OG1 3.34Å; T449-H451 PolarHBondContact O-N 3.34Å; T449-L452 PolarHBondContact O-N 3.43Å
450	P	82.1	Confident	74	Confident	76 Å²	76	53.5 Å²	53.5	49%	0.494	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.1	-5.2	176.1	-21.4	35	0	0	0	115.4	L448	L448-P450 VanDerWaalsContact C-N 3.33Å; L448-P450 VanDerWaalsContact O-N 3.16Å
451	H	80.9	Confident	71.3	Confident	54 Å²	54	58.8 Å²	58.8	25%	0.25	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-123.6	-6.9	-176.9	-49.6	-55.7	0	0	0	112.8	T368 I447 L448 T449	T368-H451 VanDerWaalsContact CG2-CE1 3.42Å; T368-H451 WeakPolarHBondContact CG2-CE1 3.48Å; I447-H451 PolarHBondContact O-CD2 3.27Å; L448-H451 CarbonylContact O-C 3.58Å; L448-H451 WeakPolarHBondContact O-CA 3.42Å; L448-H451 WeakPolarHBondContact O-CB 3.39Å; L448-H451 PolarHBondContact O-N 3.31Å; T449-H451 PolarHBondContact O-N 3.34Å
452	L	84.1	Confident	68.6	Low	3 Å²	3	59.3 Å²	59.3	2%	0.016	37%	0.367	C	S	.	.			trans	-104.5	99	179.5	-67.7	177.7	0	0	0	109.9	L268 L285 L448 T449 T454 L455 G456	L268-L452 HydrophobicContact CB-CD2 3.74Å; L268-L452 HydrophobicContact CD1-CD2 4.43Å; L268-L452 HydrophobicContact CD2-CD2 3.84Å; L268-L452 HydrophobicContact CG-CD2 4.21Å; L268-L452 CarbonylContact O-C 3.32Å; L268-L452 WeakPolarHBondContact O-CA 3.42Å; L285-L452 HydrophobicContact CD2-CD1 3.84Å; L448-L452 HydrophobicContact CB-CD1 3.69Å; L448-L452 HydrophobicContact CB-CG 4.17Å; L448-L452 WeakPolarHBondContact O-CG 3.46Å; L448-L452 PolarHBondContact O-N 3.09Å; L448-L452 VanDerWaalsContact O-N 3.17Å; T449-L452 PolarHBondContact O-N 3.43Å; L452-T454 VanDerWaalsContact C-N 3.33Å; L452-T454 PolarHBondContact O-N 2.83Å; L452-L455 HydrophobicContact CB-CB 4.32Å; L452-L455 HydrophobicContact CB-CD1 4.28Å; L452-L455 HydrophobicContact CD1-CD1 3.8Å; L452-L455 PolarHBondContact O-N 2.89Å; L452-G456 PolarHBondContact O-N 2.99Å
453	Q	76.4	Confident	65.6	Low	119 Å²	119	66 Å²	66	56%	0.556	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-74.9	-24	-174.4	-56	-162.7	-5.6	0	0	112.3	L268 Q269 L455 G456	L268-Q453 PolarHBondContact O-N 3.18Å; Q269-Q453 VanDerWaalsContact O-CD 3.31Å; Q269-Q453 PolarHBondContact O-OE1 2.81Å; Q269-Q453 VanDerWaalsContact O-OE1 3.09Å; Q453-L455 PolarHBondContact O-N 3.27Å; Q453-G456 PolarHBondContact O-N 3.15Å
454	T	70.6	Confident	62.8	Low	14 Å²	14	68.9 Å²	68.9	9%	0.086	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-69.6	-16.9	172.9	46.7	0	0	0	0	114.6	L251 Y253 F267 L452	L251-T454 HydrophobicContact CD2-CG2 3.71Å; Y253-T454 PolarHBondContact OH-O 2.79Å; F267-T454 HydrophobicContact CD1-CG2 4.21Å; F267-T454 HydrophobicContact CD2-CG2 4.29Å; F267-T454 HydrophobicContact CE1-CG2 4Å; F267-T454 HydrophobicContact CE2-CG2 4.1Å; F267-T454 HydrophobicContact CG-CG2 4.35Å; F267-T454 HydrophobicContact CZ-CG2 3.95Å; F267-T454 WeakPolarHBondContact O-CG2 3.2Å; L452-T454 VanDerWaalsContact C-N 3.33Å; L452-T454 PolarHBondContact O-N 2.83Å
455	L	58.2	Low	60	Low	69 Å²	69	75.1 Å²	75.1	36%	0.361	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-96	-8.3	169.5	-77.3	176.8	0	0	0	112.9	V284 L452 Q453 G457	V284-L455 HydrophobicContact CG1-CD1 3.97Å; V284-L455 HydrophobicContact CG1-CD2 3.67Å; V284-L455 HydrophobicContact CG1-CG 4.03Å; L452-L455 HydrophobicContact CB-CB 4.32Å; L452-L455 HydrophobicContact CB-CD1 4.28Å; L452-L455 HydrophobicContact CD1-CD1 3.8Å; L452-L455 PolarHBondContact O-N 2.89Å; Q453-L455 PolarHBondContact O-N 3.27Å; L455-G457 PolarHBondContact O-N 2.82Å
456	G	46.5	Very low	57.1	Low	31 Å²	31	80.6 Å²	80.6	32%	0.32	50%	0.502	S	S	.	.			trans	-91.4	77.7	-173.7	0	0	0	0	0	112.8	L452 Q453 L458	L452-G456 PolarHBondContact O-N 2.99Å; Q453-G456 PolarHBondContact O-N 3.15Å; G456-L458 PolarHBondContact O-N 3.08Å; G456-L458 VanDerWaalsContact O-N 3.09Å
457	G	42.5	Very low	54.6	Low	71 Å²	71	86.3 Å²	86.3	73%	0.732	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	117.1	171.1	0	0	0	0	0	111.8	L455 S459	L455-G457 PolarHBondContact O-N 2.82Å; G457-S459 VanDerWaalsContact C-N 3.33Å; G457-S459 PolarHBondContact O-N 3.21Å
458	L	39.7	Very low	51.9	Low	166 Å²	166	89 Å²	89	87%	0.869	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.9	34.8	170	-55.2	179.2	0	0	0	116.6	G456 L460	G456-L458 PolarHBondContact O-N 3.08Å; G456-L458 VanDerWaalsContact O-N 3.09Å; L458-L460 PolarHBondContact O-N 3.41Å
459	S	32.8	Very low	49.3	Very low	102 Å²	102	95 Å²	95	71%	0.713	61%	0.609	S	S	*	*			trans	-81.2	96.6	162.5	-67.8	0	0	0	0	110.3	G457	G457-S459 VanDerWaalsContact C-N 3.33Å; G457-S459 PolarHBondContact O-N 3.21Å
460	L	32.8	Very low	46.9	Very low	163 Å²	163	97.6 Å²	97.6	85%	0.853	63%	0.634	S	S	*	*			trans	-49.6	138.8	176.8	-79.8	162.9	0	0	0	112	L458 A462	L458-L460 PolarHBondContact O-N 3.41Å; L460-A462 PolarHBondContact O-N 3.03Å
461	P	37.1	Very low	44.5	Very low	112 Å²	112	99.9 Å²	99.9	73%	0.727	65%	0.649	S	S	*	*			trans	-59	129.8	176.2	-23.8	33.8	0	0	0	111.7	L463	P461-L463 PolarHBondContact O-N 2.88Å; P461-L463 VanDerWaalsContact O-N 3.08Å
462	A	36.8	Very low	42.2	Very low	101 Å²	101	103.8 Å²	103.8	84%	0.835	68%	0.677	S	S	*	*			trans	-64.4	110.2	166.3	0	0	0	0	0	108.7	L460	L460-A462 PolarHBondContact O-N 3.03Å
463	L	30.6	Very low	40	Very low	159 Å²	159	109.4 Å²	109.4	83%	0.832	71%	0.713	S	S	*	*			trans	-56	131.5	-178.6	-79.1	163.4	0	0	0	110.9	P461	P461-L463 PolarHBondContact O-N 2.88Å; P461-L463 VanDerWaalsContact O-N 3.08Å
464	P	34.1	Very low	37.8	Very low	104 Å²	104	113.1 Å²	113.1	68%	0.675	73%	0.733	S	S	*	*			trans	-69.8	135.8	-179.4	28.5	-34.2	0	0	0	111	T466	P464-T466 PolarHBondContact O-N 3.27Å
465	S	32.3	Very low	35.9	Very low	130 Å²	130	119.7 Å²	119.7	91%	0.909	77%	0.768	S	S	*	*			trans	-68.9	87.7	-177	-48.1	0	0	0	0	113
466	T	29.4	Very low	34.6	Very low	134 Å²	134	122.7 Å²	122.7	82%	0.822	79%	0.788	S	S	*	*			trans	-90.3	120.3	171.7	27.7	0	0	0	0	112	P464	P464-T466 PolarHBondContact O-N 3.27Å
467	S	39.3	Very low	33.9	Very low	123 Å²	123	125.6 Å²	125.6	86%	0.86	80%	0.804	S	S	*	*			trans	-82.8	119.9	177.6	54.4	0	0	0	0	112.1
468	A	30.3	Very low	33.4	Very low	93 Å²	93	127.7 Å²	127.7	77%	0.769	81%	0.807	S	S	*	*			trans	-139.4	152.4	169.1	0	0	0	0	0	110.2
469	P	34.1	Very low	33.5	Very low	129 Å²	129	125.3 Å²	125.3	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-84.1	161.2	-165.4	33.4	-36.6	0	0	0	114.6
470	A	33.5	Very low	33.6	Very low	97 Å²	97	129.1 Å²	129.1	80%	0.802	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83.3	145.3	-178.4	0	0	0	0	0	113.8
471	P	32.4	Very low	33.7	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-83.3	163.5	162.4	34.9	-33.2	0	0	0	112.2
472	T	33.1	Very low	33.7	Very low	136 Å²	136	129.4 Å²	129.4	83%	0.834	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.2	160.3	-176.7	39.2	0	0	0	0	114
473	P	37.2	Very low	33.8	Very low	120 Å²	120	129.2 Å²	129.2	78%	0.779	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-83.7	147.6	-176.8	33.6	-35.8	0	0	0	113.7
474	M	31.6	Very low	34.6	Very low	198 Å²	198	127.3 Å²	127.3	98%	0.975	80%	0.799	S	S	*	*			trans	-136.1	158.9	150.4	-74.8	-159.1	-177.9	0	0	109.6
475	D	29.8	Very low	35	Very low	152 Å²	152	127.9 Å²	127.9	81%	0.813	80%	0.801	S	S	*	*			trans	-100.2	-163.9	-165.4	-161.3	-5.3	0	0	0	112.2
476	V	30.5	Very low	35.2	Very low	131 Å²	131	126 Å²	126	79%	0.794	79%	0.788	S	S	*	*			trans	104	68.5	177.1	-168.5	0	0	0	0	114.9
477	S	33.1	Very low	35.9	Very low	92 Å²	92	125.3 Å²	125.3	64%	0.643	78%	0.784	S	S	*	*				62.3	114.1	118	-59.9	0	0	0	0	122.7
478	S	31.2	Very low	36	Very low	115 Å²	115	125.5 Å²	125.5	80%	0.804	78%	0.775	S	S	*	*			trans	84.8	154.7	136.4	81	0	0	0	0	120.4
479	P	42.8	Very low	36.8	Very low	117 Å²	117	126 Å²	126	76%	0.76	77%	0.771	S	S	*	*			cis	-111	160.9	-11.8	38.6	-28.8	0	0	0	113.6
480	H	33.7	Very low	37.9	Very low	181 Å²	181	125.7 Å²	125.7	84%	0.838	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-80.2	132.9	169	-93.1	33.7	0	0	0	112
481	P	35.6	Very low	39.5	Very low	116 Å²	116	124.8 Å²	124.8	75%	0.753	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-78	147.7	139.5	-9.2	27.8	0	0	0	109.9
482	L	35.5	Very low	41.7	Very low	166 Å²	166	125.1 Å²	125.1	87%	0.869	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-73.5	146.8	-179.1	-70.6	163.9	0	0	0	112.4
483	S	40.5	Very low	44.2	Very low	96 Å²	96	121.6 Å²	121.6	67%	0.671	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-63.3	137.5	178.9	-42.8	0	0	0	0	113.2	T485	S483-T485 PolarHBondContact O-N 3.27Å
484	P	45.8	Very low	46.5	Very low	119 Å²	119	116.5 Å²	116.5	77%	0.773	69%	0.691	S	S	*	*			trans	-80.4	94.3	149.3	32.2	-28.2	0	0	0	108.4	S486	P484-S486 PolarHBondContact O-N 3.31Å
485	T	43.3	Very low	49	Very low	117 Å²	117	114.3 Å²	114.3	72%	0.718	68%	0.678	S	S	*	*			trans	-71.3	76.1	165.9	-53.3	0	0	0	0	108.4	S483 T487	S483-T485 PolarHBondContact O-N 3.27Å; T485-T487 PolarHBondContact O-N 2.84Å
486	S	37.1	Very low	51.6	Low	90 Å²	90	110.1 Å²	110.1	63%	0.629	66%	0.658	S	S	*	*			trans	-75	72.9	179.3	-166.4	0	0	0	0	110.2	P484 N488	P484-S486 PolarHBondContact O-N 3.31Å; S486-N488 PolarHBondContact O-N 3.1Å; S486-N488 PolarHBondContact OG-OD1 3.42Å
487	T	43.3	Very low	54.5	Low	119 Å²	119	105.3 Å²	105.3	73%	0.73	63%	0.626	S	S	*	*			trans	-68.4	77.2	166.2	-49.1	0	0	0	0	108.2	T485	T485-T487 PolarHBondContact O-N 2.84Å
488	N	42.3	Very low	57.1	Low	127 Å²	127	105.5 Å²	105.5	68%	0.679	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-53	128.3	169.3	-83.3	-16.2	0	0	0	107.8	S486	S486-N488 PolarHBondContact O-N 3.1Å; S486-N488 PolarHBondContact OG-OD1 3.42Å
489	P	46.8	Very low	59.7	Low	105 Å²	105	106 Å²	106	68%	0.682	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-60.3	143.7	174	26.8	-33.7	0	0	0	108.7	S491	P489-S491 PolarHBondContact O-N 3.44Å; P489-S491 VanDerWaalsContact O-N 3.16Å
490	P	57.3	Low	61.7	Low	121 Å²	121	102.4 Å²	102.4	79%	0.786	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-58.2	124.5	179.7	24.7	-33.9	0	0	0	109.4	L492	P490-L492 PolarHBondContact O-N 3.48Å
491	S	67.5	Low	64	Low	78 Å²	78	96.8 Å²	96.8	55%	0.545	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-57.7	131.1	-175.6	-175.4	0	0	0	0	111	P489 F493	P489-S491 PolarHBondContact O-N 3.44Å; P489-S491 VanDerWaalsContact O-N 3.16Å; S491-F493 WeakPolarHBondContact CB-O 3.36Å; S491-F493 PolarHBondContact O-N 3.34Å; S491-F493 PolarHBondContact OG-O 2.92Å
492	L	78.6	Confident	66	Low	131 Å²	131	100.8 Å²	100.8	69%	0.686	58%	0.584	S	S	*	*	S	Bend	trans	-65.7	-28.3	179.6	-61.8	175	0	0	0	111.7	P490 W548	P490-L492 PolarHBondContact O-N 3.48Å; L492-W548 PolarHBondContact O-NE1 2.72Å
493	F	85.7	Confident	68.2	Low	62 Å²	62	98 Å²	98	27%	0.272	58%	0.578	S	S	.	*	S	Bend	trans	-122.5	152.2	-179.1	-51	-70.1	0	0	0	110.3	S491 W497 P545 W548 E549	S491-F493 WeakPolarHBondContact CB-O 3.36Å; S491-F493 PolarHBondContact O-N 3.34Å; S491-F493 PolarHBondContact OG-O 2.92Å; F493-W497 HydrophobicContact CB-CD2 4.23Å; F493-W497 HydrophobicContact CB-CE3 3.93Å; F493-W497 HydrophobicContact CB-CZ3 4.45Å; F493-W497 HydrophobicContact CD1-CE3 4.1Å; F493-W497 HydrophobicContact CD1-CH2 4.39Å; F493-W497 AromaticContact CD1-CZ3 3.78Å; F493-W497 HydrophobicContact CD1-CZ3 3.78Å; F493-W497 HydrophobicContact CG-CE3 4.16Å; F493-W497 HydrophobicContact CG-CZ3 4.31Å; F493-P545 HydrophobicContact CE1-CB 3.69Å; F493-P545 HydrophobicContact CZ-CB 3.91Å; F493-W548 AromaticContact CD1-CD1 3.63Å; F493-W548 HydrophobicContact CD1-CG 4.43Å; F493-E549 HydrophobicContact CE1-CG 4.49Å
494	P	85.6	Confident	70.5	Confident	13 Å²	13	97.6 Å²	97.6	8%	0.084	57%	0.566	C	S	.	*			trans	-58.1	140.8	178.6	-22.7	33.7	0	0	0	111.8	T496 W497 W548	P494-T496 PolarHBondContact O-N 2.97Å; P494-W497 WeakPolarHBondContact O-CB 3.45Å; P494-W497 PolarHBondContact O-N 3.48Å; P494-W548 HydrophobicContact CG-CH2 3.81Å; P494-W548 HydrophobicContact CG-CZ2 3.49Å; P494-W548 VanDerWaalsContact CG-CZ2 3.49Å
495	E	83.4	Confident	72.5	Confident	152 Å²	152	96.1 Å²	96.1	71%	0.71	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-21.6	-176.8	-59.5	-176.1	162.1	0	0	113.7	W497	E495-W497 PolarHBondContact O-N 2.67Å
496	T	84.6	Confident	75	Confident	65 Å²	65	92.4 Å²	92.4	40%	0.399	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.2	174.9	59.2	0	0	0	0	114.3	P494 R541	P494-T496 PolarHBondContact O-N 2.97Å; T496-R541 PolarHBondContact O-NE 2.9Å; T496-R541 PolarHBondContact O-NH2 2.87Å
497	W	89.9	Confident	77.7	Confident	30 Å²	30	90.3 Å²	90.3	11%	0.114	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-81.9	128.1	-179.3	-78.1	31.8	0	0	0	111.9	F493 P494 E495 Q543 P545 W548 Y685	F493-W497 HydrophobicContact CB-CD2 4.23Å; F493-W497 HydrophobicContact CB-CE3 3.93Å; F493-W497 HydrophobicContact CB-CZ3 4.45Å; F493-W497 HydrophobicContact CD1-CE3 4.1Å; F493-W497 HydrophobicContact CD1-CH2 4.39Å; F493-W497 AromaticContact CD1-CZ3 3.78Å; F493-W497 HydrophobicContact CD1-CZ3 3.78Å; F493-W497 HydrophobicContact CG-CE3 4.16Å; F493-W497 HydrophobicContact CG-CZ3 4.31Å; P494-W497 WeakPolarHBondContact O-CB 3.45Å; P494-W497 PolarHBondContact O-N 3.48Å; E495-W497 PolarHBondContact O-N 2.67Å; W497-Q543 HydrophobicContact CB-CG 4.38Å; W497-Q543 HydrophobicContact CD2-CB 3.88Å; W497-Q543 HydrophobicContact CD2-CG 3.62Å; W497-Q543 HydrophobicContact CE3-CB 3.77Å; W497-Q543 HydrophobicContact CE3-CG 4.03Å; W497-Q543 HydrophobicContact CG-CG 3.78Å; W497-Q543 HydrophobicContact CH2-CB 4.23Å; W497-Q543 HydrophobicContact CZ2-CB 4.33Å; W497-Q543 HydrophobicContact CZ2-CG 4.48Å; W497-Q543 HydrophobicContact CZ3-CB 3.95Å; W497-P545 HydrophobicContact CZ3-CG 4.15Å; W497-W548 HydrophobicContact CH2-CB 3.63Å; W497-W548 HydrophobicContact CH2-CD2 4.46Å; W497-W548 AromaticContact CH2-CG 3.93Å; W497-W548 HydrophobicContact CH2-CG 3.93Å; W497-W548 HydrophobicContact CZ2-CB 4.19Å; W497-W548 HydrophobicContact CZ2-CD2 4.19Å; W497-W548 HydrophobicContact CZ2-CE3 4.32Å; W497-W548 HydrophobicContact CZ2-CG 4.14Å; W497-Y685 WeakPolarHBondContact CH2-OH 3.28Å; W497-Y685 HydrophobicContact CZ2-CE1 4.47Å; W497-Y685 AromaticContact CZ2-CZ 3.95Å; W497-Y685 VanDerWaalsContact CZ2-OH 3.24Å; W497-Y685 WeakPolarHBondContact CZ2-OH 3.4Å
498	L	88.1	Confident	80.2	Confident	95 Å²	95	88.2 Å²	88.2	50%	0.497	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-69.9	146.6	170.2	-60.3	-176.3	0	0	0	110.5	M500 V509 Q543	L498-M500 PolarHBondContact O-N 3.28Å; L498-V509 HydrophobicContact CB-CG2 4.5Å; L498-V509 HydrophobicContact CD1-CB 4.45Å; L498-V509 HydrophobicContact CD1-CG1 3.6Å; L498-V509 HydrophobicContact CD1-CG2 3.93Å; L498-V509 HydrophobicContact CG-CG1 4.15Å; L498-V509 HydrophobicContact CG-CG2 4.28Å; L498-Q543 PolarHBondContact O-NE2 2.82Å
499	P	86.3	Confident	82.8	Confident	125 Å²	125	82.9 Å²	82.9	81%	0.812	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-52.8	138.1	171.7	-26.6	35.1	0	0	0	112.2
500	M	85.3	Confident	85.2	Confident	43 Å²	43	82.5 Å²	82.5	21%	0.212	46%	0.455	C	S	.	.			trans	-111.9	137.1	-177.9	-77.2	-179	59.5	0	0	111.6	L498 Q504 L507 Q543 P545	L498-M500 PolarHBondContact O-N 3.28Å; M500-Q504 WeakPolarHBondContact CE-O 3.27Å; M500-L507 HydrophobicContact CE-CG 4.38Å; M500-L507 HydrophobicContact CG-CD1 3.72Å; M500-L507 HydrophobicContact CG-CG 4.1Å; M500-L507 HydrophobicContact SD-CB 4.43Å; M500-L507 HydrophobicContact SD-CG 4.48Å; M500-Q543 HydrophobicContact SD-CB 3.68Å; M500-P545 HydrophobicContact CE-CG 4.15Å; M500-P545 HydrophobicContact SD-CG 3.94Å
501	P	81.9	Confident	87	Confident	62 Å²	62	77.3 Å²	77.3	40%	0.403	42%	0.421	S	S	.	.			trans	-63.5	137.2	167.8	-19.2	32.3	0	0	0	110.9	S503 Q504	P501-S503 PolarHBondContact O-N 3.02Å; P501-Q504 HydrophobicContact CB-CG 4.47Å; P501-Q504 PolarHBondContact O-N 3.12Å; P501-Q504 VanDerWaalsContact O-N 3.09Å
502	M	77.3	Confident	88.2	Confident	200 Å²	200	76.4 Å²	76.4	99%	0.985	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-9.8	178.8	-65.6	-65.4	-69.4	0	0	114.6
503	S	82.7	Confident	88.8	Confident	107 Å²	107	75.5 Å²	75.5	75%	0.748	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	3.2	178.3	55.3	0	0	0	0	114.7	P501	P501-S503 PolarHBondContact O-N 3.02Å
504	Q	86.9	Confident	88.8	Confident	89 Å²	89	78.5 Å²	78.5	42%	0.416	42%	0.417	S	S	.	.			trans	-122.1	120.1	-176.7	-63.3	-175.2	7.8	0	0	112.2	M500 P501 F506	M500-Q504 WeakPolarHBondContact CE-O 3.27Å; P501-Q504 HydrophobicContact CB-CG 4.47Å; P501-Q504 PolarHBondContact O-N 3.12Å; P501-Q504 VanDerWaalsContact O-N 3.09Å; Q504-F506 VanDerWaalsContact C-N 3.28Å; Q504-F506 PolarHBondContact O-N 3.45Å
505	D	88.6	Confident	89	Confident	88 Å²	88	80 Å²	80	47%	0.471	42%	0.424	S	S	.	.	S	Bend	trans	-64	-32.9	178.9	-46.2	-69.3	0	0	0	112.7	K588	D505-K588 HydrophobicContact CB-CG 4.31Å; D505-K588 VanDerWaalsContact OD2-CE 3.25Å; D505-K588 WeakPolarHBondContact OD2-CE 3.16Å; D505-K588 IonicContact OD2-NZ 3.18Å; D505-K588 PolarHBondContact OD2-NZ 2.74Å
506	F	94.9	Very high	89.3	Confident	38 Å²	38	79 Å²	79	17%	0.167	41%	0.414	C	S	.	.			trans	-153.1	154.3	-179.6	75.8	-81.4	0	0	0	113.3	Q504 R508 Q543 N544 D584 C587 K588	Q504-F506 VanDerWaalsContact C-N 3.28Å; Q504-F506 PolarHBondContact O-N 3.45Å; F506-R508 HydrophobicContact CD2-CG 4.13Å; F506-R508 HydrophobicContact CE2-CG 3.95Å; F506-Q543 CarbonylContact C-O 3.6Å; F506-Q543 WeakPolarHBondContact CA-O 3.44Å; F506-N544 HydrophobicContact CB-CB 3.89Å; F506-D584 HydrophobicContact CZ-CB 4.38Å; F506-C587 HydrophobicContact CD1-CB 4.49Å; F506-C587 HydrophobicContact CD2-CB 3.44Å; F506-C587 VanDerWaalsContact CD2-CB 3.44Å; F506-C587 HydrophobicContact CE1-CB 4.46Å; F506-C587 HydrophobicContact CE2-CB 3.39Å; F506-C587 HydrophobicContact CG-CB 4.02Å; F506-C587 HydrophobicContact CZ-CB 3.94Å; F506-K588 HydrophobicContact CD1-CB 3.82Å; F506-K588 HydrophobicContact CD1-CG 4.3Å; F506-K588 HydrophobicContact CE1-CB 3.74Å; F506-K588 HydrophobicContact CE1-CD 4.49Å; F506-K588 HydrophobicContact CE1-CG 4.38Å
507	L	95.2	Very high	89.7	Confident	46 Å²	46	77 Å²	77	24%	0.241	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	157.9	165.1	-83	-176.2	0	0	0	111.8	M500 V509 V542 Q543	M500-L507 HydrophobicContact CE-CG 4.38Å; M500-L507 HydrophobicContact CG-CD1 3.72Å; M500-L507 HydrophobicContact CG-CG 4.1Å; M500-L507 HydrophobicContact SD-CB 4.43Å; M500-L507 HydrophobicContact SD-CG 4.48Å; L507-V509 HydrophobicContact CB-CG2 4.26Å; L507-V509 HydrophobicContact CD1-CG2 4.41Å; L507-V542 WeakPolarHBondContact O-CA 3.38Å; L507-Q543 HydrophobicContact CB-CB 4.3Å; L507-Q543 PolarHBondContact N-O 3.29Å; L507-Q543 PolarHBondContact O-N 2.95Å
508	R	95.9	Very high	90	Very high	75 Å²	75	76 Å²	76	28%	0.283	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	81.1	170.2	-67.6	-177.5	-69.6	-164.3	-14.6	110.4	F506 P510 Q540 R541 D584 I689	F506-R508 HydrophobicContact CD2-CG 4.13Å; F506-R508 HydrophobicContact CE2-CG 3.95Å; R508-P510 WeakPolarHBondContact O-CD 3.31Å; R508-Q540 HydrophobicContact CB-CB 4.36Å; R508-Q540 PolarHBondContact O-NE2 3.18Å; R508-R541 CarbonylContact C-O 3.57Å; R508-R541 WeakPolarHBondContact CA-O 3.48Å; R508-D584 IonicContact CZ-OD1 3.23Å; R508-D584 IonicContact CZ-OD2 2.66Å; R508-D584 IonicContact NH1-OD1 3.82Å; R508-D584 PolarHBondContact NH1-OD1 3.25Å; R508-D584 IonicContact NH1-OD2 2.67Å; R508-D584 VanDerWaalsContact NH2-CG 3.33Å; R508-D584 IonicContact NH2-OD1 3.51Å; R508-D584 PolarHBondContact NH2-OD1 3.15Å; R508-D584 IonicContact NH2-OD2 2.71Å; R508-D584 PolarHBondContact NH2-OD2 3.08Å; R508-I689 HydrophobicContact CG-CD1 3.85Å
509	V	95.6	Very high	90.2	Very high	16 Å²	16	74.2 Å²	74.2	10%	0.097	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.9	-175.2	179.9	0	0	0	0	110.1	L498 L507 V511 Q540 R541 Q543	L498-V509 HydrophobicContact CB-CG2 4.5Å; L498-V509 HydrophobicContact CD1-CB 4.45Å; L498-V509 HydrophobicContact CD1-CG1 3.6Å; L498-V509 HydrophobicContact CD1-CG2 3.93Å; L498-V509 HydrophobicContact CG-CG1 4.15Å; L498-V509 HydrophobicContact CG-CG2 4.28Å; L507-V509 HydrophobicContact CB-CG2 4.26Å; L507-V509 HydrophobicContact CD1-CG2 4.41Å; V509-V511 PolarHBondContact O-N 3.02Å; V509-Q540 CarbonylContact O-C 3.56Å; V509-Q540 VanDerWaalsContact O-CA 3.27Å; V509-Q540 WeakPolarHBondContact O-CA 3.21Å; V509-R541 PolarHBondContact N-O 3.47Å; V509-R541 PolarHBondContact O-N 3.04Å; V509-Q543 HydrophobicContact CG2-CG 4.41Å
510	P	97.2	Very high	90.6	Very high	97 Å²	97	69.8 Å²	69.8	63%	0.63	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	133.2	170.9	-22.2	34.2	0	0	0	111.2	R508	R508-P510 WeakPolarHBondContact O-CD 3.31Å
511	V	95.8	Very high	91.2	Very high	11 Å²	11	67.9 Å²	67.9	7%	0.067	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-91.1	126.4	175.3	-167.7	0	0	0	0	107.9	V509 D515 S517 Y518 I539 R541 F688	V509-V511 PolarHBondContact O-N 3.02Å; V511-D515 HydrophobicContact CG1-CB 3.78Å; V511-D515 WeakPolarHBondContact CG1-OD2 3.44Å; V511-S517 WeakPolarHBondContact CG1-OG 3.28Å; V511-Y518 HydrophobicContact CB-CD2 4.24Å; V511-Y518 HydrophobicContact CG1-CD2 4.35Å; V511-Y518 WeakPolarHBondContact O-CD2 3.5Å; V511-I539 HydrophobicContact CB-CB 4.35Å; V511-I539 HydrophobicContact CB-CG2 4.42Å; V511-I539 HydrophobicContact CG2-CB 4.42Å; V511-I539 HydrophobicContact CG2-CG2 4.04Å; V511-I539 PolarHBondContact N-O 3.11Å; V511-R541 HydrophobicContact CG2-CB 3.92Å; V511-F688 HydrophobicContact CG2-CD1 3.97Å; V511-F688 HydrophobicContact CG2-CE1 3.89Å
512	S	93.3	Very high	92	Very high	60 Å²	60	65 Å²	65	42%	0.42	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70	156.9	177	103.5	0	0	0	0	110.5	E514 D515 Y518	S512-E514 WeakPolarHBondContact CB-OE2 3.35Å; S512-E514 PolarHBondContact O-N 3Å; S512-E514 PolarHBondContact OG-N 3.25Å; S512-E514 PolarHBondContact OG-OE2 3.31Å; S512-D515 WeakPolarHBondContact O-CB 3.48Å; S512-D515 PolarHBondContact O-N 3.35Å; S512-D515 PolarHBondContact OG-N 3.2Å; S512-Y518 WeakPolarHBondContact O-CB 3.46Å; S512-Y518 WeakPolarHBondContact O-CD2 3.44Å
513	R	89.9	Confident	92.8	Very high	112 Å²	112	57.6 Å²	57.6	42%	0.423	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.3	-175.9	-56.5	177.3	65.3	-165.5	-4.4	112.1	S445 Y518	S445-R513 PolarHBondContact OG-NH2 2.86Å; R513-Y518 HydrophobicContact CB-CD1 4.49Å; R513-Y518 HydrophobicContact CG-CE1 4.33Å; R513-Y518 HydrophobicContact CG-CE2 4.11Å
514	E	86.4	Confident	93.5	Very high	125 Å²	125	54.5 Å²	54.5	58%	0.584	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-21	-178.4	-52.5	65.1	-132.9	0	0	111.6	S512 R519	S512-E514 WeakPolarHBondContact CB-OE2 3.35Å; S512-E514 PolarHBondContact O-N 3Å; S512-E514 PolarHBondContact OG-N 3.25Å; S512-E514 PolarHBondContact OG-OE2 3.31Å; E514-R519 PolarHBondContact O-NH1 3.42Å; E514-R519 PolarHBondContact O-NH2 2.79Å
515	D	89.9	Confident	94	Very high	43 Å²	43	50.2 Å²	50.2	23%	0.23	25%	0.251	C	S	.	.	S	Bend	trans	-62.4	135.6	174.3	-172.8	-33.2	0	0	0	110.6	V511 S512 S517 Y518 R519 R541	V511-D515 HydrophobicContact CG1-CB 3.78Å; V511-D515 WeakPolarHBondContact CG1-OD2 3.44Å; S512-D515 WeakPolarHBondContact O-CB 3.48Å; S512-D515 PolarHBondContact O-N 3.35Å; S512-D515 PolarHBondContact OG-N 3.2Å; D515-S517 PolarHBondContact O-N 2.98Å; D515-S517 VanDerWaalsContact OD1-CB 3.3Å; D515-S517 WeakPolarHBondContact OD1-CB 3.35Å; D515-S517 PolarHBondContact OD1-N 3.36Å; D515-S517 PolarHBondContact OD1-OG 2.82Å; D515-S517 PolarHBondContact OD2-OG 3.22Å; D515-S517 VanDerWaalsContact OD2-OG 3.13Å; D515-Y518 WeakPolarHBondContact O-CB 2.96Å; D515-Y518 PolarHBondContact O-N 3.24Å; D515-Y518 VanDerWaalsContact O-N 3.17Å; D515-R519 PolarHBondContact O-N 3.01Å; D515-R541 IonicContact OD2-NH1 3.26Å; D515-R541 PolarHBondContact OD2-NH1 3.14Å
516	R	90.1	Very high	94.5	Very high	133 Å²	133	47 Å²	47	50%	0.502	23%	0.233	S	C	.	.	H	α-helix	trans	-56.2	-38.9	175.6	-166.1	-178.9	-165.3	-172.6	1.9	111.2	T80 L81 Y518 R519 T520	T80-R516 PolarHBondContact O-NH2 3.36Å; L81-R516 WeakPolarHBondContact O-CD 3.3Å; L81-R516 PolarHBondContact O-NE 2.92Å; L81-R516 VanDerWaalsContact O-NE 3.13Å; L81-R516 PolarHBondContact O-NH1 2.91Å; R516-Y518 PolarHBondContact O-N 2.64Å; R516-R519 PolarHBondContact O-N 2.83Å; R516-T520 PolarHBondContact O-N 2.88Å; R516-T520 PolarHBondContact O-OG1 3.28Å
517	S	93	Very high	94.5	Very high	21 Å²	21	51.9 Å²	51.9	15%	0.147	25%	0.254	C	S	.	.	H	α-helix	trans	-66.2	-33.8	179.6	69.8	0	0	0	0	112.9	V511 D515 T520 V521	V511-S517 WeakPolarHBondContact CG1-OG 3.28Å; D515-S517 PolarHBondContact O-N 2.98Å; D515-S517 VanDerWaalsContact OD1-CB 3.3Å; D515-S517 WeakPolarHBondContact OD1-CB 3.35Å; D515-S517 PolarHBondContact OD1-N 3.36Å; D515-S517 PolarHBondContact OD1-OG 2.82Å; D515-S517 PolarHBondContact OD2-OG 3.22Å; D515-S517 VanDerWaalsContact OD2-OG 3.13Å; S517-T520 PolarHBondContact O-N 2.88Å; S517-V521 VanDerWaalsContact O-CG2 3.29Å; S517-V521 WeakPolarHBondContact O-CG2 3.47Å; S517-V521 PolarHBondContact O-N 3.47Å
518	Y	95.6	Very high	94.6	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.035	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-50.7	172.4	-169.1	-74.4	0	0	0	110.5	V446 V511 S512 R513 D515 R516 T520 V521 Y522 I539	V446-Y518 HydrophobicContact CG1-CD1 3.89Å; V446-Y518 HydrophobicContact CG1-CE1 3.97Å; V446-Y518 HydrophobicContact CG2-CE1 4.06Å; V511-Y518 HydrophobicContact CB-CD2 4.24Å; V511-Y518 HydrophobicContact CG1-CD2 4.35Å; V511-Y518 WeakPolarHBondContact O-CD2 3.5Å; S512-Y518 WeakPolarHBondContact O-CB 3.46Å; S512-Y518 WeakPolarHBondContact O-CD2 3.44Å; R513-Y518 HydrophobicContact CB-CD1 4.49Å; R513-Y518 HydrophobicContact CG-CE1 4.33Å; R513-Y518 HydrophobicContact CG-CE2 4.11Å; D515-Y518 WeakPolarHBondContact O-CB 2.96Å; D515-Y518 PolarHBondContact O-N 3.24Å; D515-Y518 VanDerWaalsContact O-N 3.17Å; R516-Y518 PolarHBondContact O-N 2.64Å; Y518-T520 VanDerWaalsContact C-N 3.31Å; Y518-T520 PolarHBondContact O-N 3.36Å; Y518-V521 PolarHBondContact O-N 2.96Å; Y518-Y522 AromaticContact CE1-CD2 3.95Å; Y518-Y522 HydrophobicContact CE1-CD2 3.95Å; Y518-Y522 WeakPolarHBondContact O-CB 3.44Å; Y518-Y522 PolarHBondContact O-N 3.35Å; Y518-I539 HydrophobicContact CD1-CD1 4.11Å; Y518-I539 HydrophobicContact CD2-CB 4.02Å; Y518-I539 HydrophobicContact CD2-CD1 3.74Å; Y518-I539 HydrophobicContact CD2-CG1 3.99Å; Y518-I539 HydrophobicContact CE1-CD1 4.07Å; Y518-I539 HydrophobicContact CE2-CB 3.98Å; Y518-I539 HydrophobicContact CE2-CD1 3.71Å; Y518-I539 HydrophobicContact CE2-CG1 3.65Å; Y518-I539 HydrophobicContact CG-CD1 3.92Å
519	R	93.5	Very high	94.6	Very high	58 Å²	58	47.7 Å²	47.7	22%	0.219	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-39	178.9	-59.3	-168.7	-168.7	83.3	-6.6	111.9	V446 E514 D515 R516 S523	V446-R519 HydrophobicContact CG1-CG 4.03Å; E514-R519 PolarHBondContact O-NH1 3.42Å; E514-R519 PolarHBondContact O-NH2 2.79Å; D515-R519 PolarHBondContact O-N 3.01Å; R516-R519 PolarHBondContact O-N 2.83Å; R519-S523 VanDerWaalsContact O-CB 3.3Å; R519-S523 WeakPolarHBondContact O-CB 3.29Å; R519-S523 PolarHBondContact O-N 2.95Å; R519-S523 PolarHBondContact O-OG 3.49Å
520	T	94.4	Very high	94.6	Very high	33 Å²	33	49.3 Å²	49.3	20%	0.202	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-49.1	174.8	-61.8	0	0	0	0	112.1	R516 S517 Y518 S523 L524	R516-T520 PolarHBondContact O-N 2.88Å; R516-T520 PolarHBondContact O-OG1 3.28Å; S517-T520 PolarHBondContact O-N 2.88Å; Y518-T520 VanDerWaalsContact C-N 3.31Å; Y518-T520 PolarHBondContact O-N 3.36Å; T520-S523 PolarHBondContact O-N 2.89Å; T520-L524 HydrophobicContact CG2-CD1 4.01Å; T520-L524 HydrophobicContact CG2-CG 4.49Å; T520-L524 WeakPolarHBondContact O-CB 3.41Å; T520-L524 VanDerWaalsContact O-CG 3.29Å; T520-L524 WeakPolarHBondContact O-CG 3.35Å; T520-L524 PolarHBondContact O-N 2.79Å
521	V	97.6	Very high	94.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-40.9	-180	177.2	0	0	0	0	111.2	S517 Y518 S523 L524 F525 I539 L632 F688 I690	S517-V521 VanDerWaalsContact O-CG2 3.29Å; S517-V521 WeakPolarHBondContact O-CG2 3.47Å; S517-V521 PolarHBondContact O-N 3.47Å; Y518-V521 PolarHBondContact O-N 2.96Å; V521-S523 PolarHBondContact O-N 2.82Å; V521-L524 PolarHBondContact O-N 3.48Å; V521-F525 WeakPolarHBondContact O-CB 3.47Å; V521-F525 PolarHBondContact O-N 3.44Å; V521-I539 HydrophobicContact CB-CD1 3.95Å; V521-I539 HydrophobicContact CB-CG2 4.49Å; V521-I539 HydrophobicContact CG1-CD1 3.84Å; V521-I539 HydrophobicContact CG1-CG2 4.12Å; V521-L632 HydrophobicContact CG1-CD2 4.37Å; V521-L632 HydrophobicContact CG2-CD2 3.94Å; V521-F688 HydrophobicContact CG2-CB 4.43Å; V521-F688 HydrophobicContact CG2-CD1 4.36Å; V521-F688 HydrophobicContact CG2-CD2 3.56Å; V521-F688 HydrophobicContact CG2-CE2 3.76Å; V521-F688 HydrophobicContact CG2-CG 3.88Å; V521-F688 HydrophobicContact CG2-CZ 4.26Å; V521-I690 HydrophobicContact CG1-CD1 3.6Å; V521-I690 HydrophobicContact CG1-CG1 3.78Å
522	Y	97.3	Very high	94.4	Very high	3 Å²	3	47 Å²	47	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-54.5	-52.1	172.5	-170.8	-86.3	0	0	0	110.9	S444 V446 I447 Y518 L524 F525 H526 E531 I536	S444-Y522 WeakPolarHBondContact CB-OH 3.47Å; S444-Y522 WeakPolarHBondContact OG-CE1 3.2Å; S444-Y522 PolarHBondContact OG-OH 2.94Å; V446-Y522 HydrophobicContact CB-CD1 4.15Å; V446-Y522 HydrophobicContact CB-CD2 4.28Å; V446-Y522 HydrophobicContact CB-CE1 4.19Å; V446-Y522 HydrophobicContact CB-CE2 4.34Å; V446-Y522 HydrophobicContact CB-CG 4.23Å; V446-Y522 HydrophobicContact CG1-CD1 3.94Å; V446-Y522 HydrophobicContact CG1-CD2 4.05Å; V446-Y522 HydrophobicContact CG1-CE1 4.48Å; V446-Y522 HydrophobicContact CG1-CG 3.73Å; V446-Y522 HydrophobicContact CG2-CD2 4.09Å; V446-Y522 HydrophobicContact CG2-CE2 3.97Å; I447-Y522 HydrophobicContact CD1-CD1 4.07Å; I447-Y522 HydrophobicContact CD1-CE1 4.39Å; I447-Y522 HydrophobicContact CG1-CD1 4.26Å; I447-Y522 HydrophobicContact CG1-CE1 4.09Å; Y518-Y522 AromaticContact CE1-CD2 3.95Å; Y518-Y522 HydrophobicContact CE1-CD2 3.95Å; Y518-Y522 WeakPolarHBondContact O-CB 3.44Å; Y518-Y522 PolarHBondContact O-N 3.35Å; Y522-L524 PolarHBondContact O-N 3.45Å; Y522-F525 PolarHBondContact O-N 2.88Å; Y522-H526 AromaticContact CD1-CD2 3.75Å; Y522-H526 AromaticContact CD2-CD2 3.88Å; Y522-H526 AromaticContact CE1-CD2 3.45Å; Y522-H526 VanDerWaalsContact CE1-CD2 3.45Å; Y522-H526 WeakPolarHBondContact CE1-CD2 3.49Å; Y522-H526 AromaticContact CE2-CD2 3.58Å; Y522-H526 AromaticContact CE2-NE2 3.62Å; Y522-H526 AromaticContact CG-CD2 3.93Å; Y522-H526 AromaticContact CZ-CD2 3.33Å; Y522-H526 AromaticContact CZ-NE2 3.61Å; Y522-H526 WeakPolarHBondContact O-CB 3.18Å; Y522-H526 PolarHBondContact O-CD2 3.39Å; Y522-H526 PolarHBondContact O-N 3.45Å; Y522-E531 HydrophobicContact CE1-CG 4.33Å; Y522-E531 WeakPolarHBondContact CE1-OE2 3.46Å; Y522-E531 PolarHBondContact OH-OE2 2.99Å; Y522-I536 HydrophobicContact CD2-CB 4.47Å; Y522-I536 HydrophobicContact CD2-CD1 3.77Å; Y522-I536 HydrophobicContact CD2-CG1 4.49Å; Y522-I536 HydrophobicContact CE2-CB 4.46Å; Y522-I536 HydrophobicContact CE2-CD1 4.29Å; Y522-I536 HydrophobicContact CG-CD1 4.43Å
523	S	95.6	Very high	94.6	Very high	44 Å²	44	48.3 Å²	48.3	31%	0.308	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-41.7	178.6	-57.6	0	0	0	0	112.4	R519 T520 V521 F525 K527	R519-S523 VanDerWaalsContact O-CB 3.3Å; R519-S523 WeakPolarHBondContact O-CB 3.29Å; R519-S523 PolarHBondContact O-N 2.95Å; R519-S523 PolarHBondContact O-OG 3.49Å; T520-S523 PolarHBondContact O-N 2.89Å; V521-S523 PolarHBondContact O-N 2.82Å; S523-F525 PolarHBondContact O-N 2.93Å; S523-K527 WeakPolarHBondContact O-CB 3.48Å; S523-K527 VanDerWaalsContact O-CG 3.26Å; S523-K527 WeakPolarHBondContact O-CG 3.49Å; S523-K527 PolarHBondContact O-N 2.95Å
524	L	96.9	Very high	94.9	Very high	41 Å²	41	44.5 Å²	44.5	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-39.1	178.7	-74.9	172.1	0	0	0	112.3	T520 V521 Y522 K527 F575 L632	T520-L524 HydrophobicContact CG2-CD1 4.01Å; T520-L524 HydrophobicContact CG2-CG 4.49Å; T520-L524 WeakPolarHBondContact O-CB 3.41Å; T520-L524 VanDerWaalsContact O-CG 3.29Å; T520-L524 WeakPolarHBondContact O-CG 3.35Å; T520-L524 PolarHBondContact O-N 2.79Å; V521-L524 PolarHBondContact O-N 3.48Å; Y522-L524 PolarHBondContact O-N 3.45Å; L524-K527 HydrophobicContact CD2-CD 4.48Å; L524-F575 HydrophobicContact CB-CZ 4.01Å; L524-F575 WeakPolarHBondContact O-CZ 3.2Å; L524-L632 HydrophobicContact CD1-CD2 3.94Å
525	F	98.3	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-52	175.7	179.8	-97.9	0	0	0	111	V521 Y522 S523 K527 T528 V529 I536 F575 A613 M630 I690 Y692	V521-F525 WeakPolarHBondContact O-CB 3.47Å; V521-F525 PolarHBondContact O-N 3.44Å; Y522-F525 PolarHBondContact O-N 2.88Å; S523-F525 PolarHBondContact O-N 2.93Å; F525-K527 VanDerWaalsContact C-N 3.32Å; F525-K527 PolarHBondContact O-N 2.59Å; F525-T528 PolarHBondContact O-N 2.69Å; F525-T528 VanDerWaalsContact O-N 3.11Å; F525-V529 HydrophobicContact CD1-CB 4.08Å; F525-V529 HydrophobicContact CD1-CG1 4.49Å; F525-V529 HydrophobicContact CD2-CG2 4.4Å; F525-V529 HydrophobicContact CE1-CB 3.69Å; F525-V529 HydrophobicContact CE1-CG1 3.64Å; F525-V529 HydrophobicContact CE1-CG2 4.23Å; F525-V529 HydrophobicContact CE2-CB 4.38Å; F525-V529 HydrophobicContact CE2-CG2 4Å; F525-V529 HydrophobicContact CZ-CB 3.85Å; F525-V529 HydrophobicContact CZ-CG1 3.71Å; F525-V529 HydrophobicContact CZ-CG2 3.91Å; F525-V529 PolarHBondContact O-N 2.85Å; F525-I536 HydrophobicContact CB-CD1 4.26Å; F525-I536 HydrophobicContact CD1-CD1 3.75Å; F525-I536 HydrophobicContact CD1-CG1 4.01Å; F525-I536 HydrophobicContact CE1-CD1 4.33Å; F525-I536 HydrophobicContact CE1-CG1 4.07Å; F525-I536 HydrophobicContact CG-CD1 4.13Å; F525-F575 HydrophobicContact CB-CE1 4.38Å; F525-F575 HydrophobicContact CD2-CE1 4.42Å; F525-A613 HydrophobicContact CD2-CB 3.72Å; F525-A613 HydrophobicContact CE2-CB 4.25Å; F525-A613 HydrophobicContact CG-CB 4.37Å; F525-M630 HydrophobicContact CD2-SD 4.25Å; F525-M630 HydrophobicContact CE2-CE 4.04Å; F525-M630 HydrophobicContact CE2-SD 4.14Å; F525-I690 HydrophobicContact CB-CD1 4.16Å; F525-I690 HydrophobicContact CD2-CD1 3.94Å; F525-I690 HydrophobicContact CD2-CG2 4.32Å; F525-I690 HydrophobicContact CE2-CG2 4.42Å; F525-I690 HydrophobicContact CG-CD1 4.35Å; F525-Y692 HydrophobicContact CE1-CG 4.42Å; F525-Y692 AromaticContact CE2-CD1 3.9Å; F525-Y692 HydrophobicContact CE2-CD1 3.9Å; F525-Y692 HydrophobicContact CE2-CD2 4.5Å; F525-Y692 AromaticContact CE2-CE1 3.81Å; F525-Y692 HydrophobicContact CE2-CE1 3.81Å; F525-Y692 HydrophobicContact CE2-CE2 4.41Å; F525-Y692 HydrophobicContact CE2-CG 4.24Å; F525-Y692 AromaticContact CZ-CD1 3.77Å; F525-Y692 HydrophobicContact CZ-CD1 3.77Å; F525-Y692 AromaticContact CZ-CD2 3.67Å; F525-Y692 HydrophobicContact CZ-CD2 3.67Å; F525-Y692 AromaticContact CZ-CE1 3.94Å; F525-Y692 HydrophobicContact CZ-CE1 3.94Å; F525-Y692 AromaticContact CZ-CE2 3.83Å; F525-Y692 HydrophobicContact CZ-CE2 3.83Å; F525-Y692 AromaticContact CZ-CG 3.62Å; F525-Y692 HydrophobicContact CZ-CG 3.62Å; F525-Y692 AromaticContact CZ-CZ 3.95Å
526	H	97.3	Very high	95.7	Very high	20 Å²	20	40.3 Å²	40.3	9%	0.093	19%	0.193	C	C	.	.	H	α-helix	trans	-75.9	-13.2	-174	-74.3	-59.1	0	0	0	115.2	Y522 T528 V529 E531 F534	Y522-H526 AromaticContact CD1-CD2 3.75Å; Y522-H526 AromaticContact CD2-CD2 3.88Å; Y522-H526 AromaticContact CE1-CD2 3.45Å; Y522-H526 VanDerWaalsContact CE1-CD2 3.45Å; Y522-H526 WeakPolarHBondContact CE1-CD2 3.49Å; Y522-H526 AromaticContact CE2-CD2 3.58Å; Y522-H526 AromaticContact CE2-NE2 3.62Å; Y522-H526 AromaticContact CG-CD2 3.93Å; Y522-H526 AromaticContact CZ-CD2 3.33Å; Y522-H526 AromaticContact CZ-NE2 3.61Å; Y522-H526 WeakPolarHBondContact O-CB 3.18Å; Y522-H526 PolarHBondContact O-CD2 3.39Å; Y522-H526 PolarHBondContact O-N 3.45Å; H526-T528 PolarHBondContact O-N 3.13Å; H526-V529 WeakPolarHBondContact CA-O 3.33Å; H526-V529 PolarHBondContact ND1-O 3.28Å; H526-E531 HydrophobicContact CB-CG 3.67Å; H526-E531 VanDerWaalsContact ND1-CG 3.29Å; H526-E531 WeakPolarHBondContact ND1-CG 3.49Å; H526-F534 PolarHBondContact CE1-O 3.29Å
527	K	95.6	Very high	96	Very high	140 Å²	140	37.7 Å²	37.7	61%	0.609	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-21.8	160.3	-90.2	175.8	-175.5	-176	0	113.7	S523 L524 F525	S523-K527 WeakPolarHBondContact O-CB 3.48Å; S523-K527 VanDerWaalsContact O-CG 3.26Å; S523-K527 WeakPolarHBondContact O-CG 3.49Å; S523-K527 PolarHBondContact O-N 2.95Å; L524-K527 HydrophobicContact CD2-CD 4.48Å; F525-K527 VanDerWaalsContact C-N 3.32Å; F525-K527 PolarHBondContact O-N 2.59Å
528	T	96.8	Very high	96.2	Very high	32 Å²	32	41 Å²	41	20%	0.196	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-22.9	179.4	64.8	0	0	0	0	115.7	F525 H526 R612 A613 F614	F525-T528 PolarHBondContact O-N 2.69Å; F525-T528 VanDerWaalsContact O-N 3.11Å; H526-T528 PolarHBondContact O-N 3.13Å; T528-R612 HydrophobicContact CG2-CB 3.87Å; T528-R612 HydrophobicContact CG2-CG 3.95Å; T528-A613 PolarHBondContact OG1-N 3.21Å; T528-A613 VanDerWaalsContact OG1-N 3.08Å; T528-F614 PolarHBondContact OG1-N 3.17Å; T528-F614 VanDerWaalsContact OG1-N 3.15Å
529	V	96.8	Very high	96.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.199	C	C	.	.	S	Bend	trans	-100.3	124.6	174	-179.7	0	0	0	0	109.5	F525 H526 E531 F534 A613 F614	F525-V529 HydrophobicContact CD1-CB 4.08Å; F525-V529 HydrophobicContact CD1-CG1 4.49Å; F525-V529 HydrophobicContact CD2-CG2 4.4Å; F525-V529 HydrophobicContact CE1-CB 3.69Å; F525-V529 HydrophobicContact CE1-CG1 3.64Å; F525-V529 HydrophobicContact CE1-CG2 4.23Å; F525-V529 HydrophobicContact CE2-CB 4.38Å; F525-V529 HydrophobicContact CE2-CG2 4Å; F525-V529 HydrophobicContact CZ-CB 3.85Å; F525-V529 HydrophobicContact CZ-CG1 3.71Å; F525-V529 HydrophobicContact CZ-CG2 3.91Å; F525-V529 PolarHBondContact O-N 2.85Å; H526-V529 WeakPolarHBondContact CA-O 3.33Å; H526-V529 PolarHBondContact ND1-O 3.28Å; V529-E531 PolarHBondContact O-N 3.15Å; V529-F534 HydrophobicContact CG1-CB 3.86Å; V529-F534 HydrophobicContact CG1-CD2 3.59Å; V529-F534 HydrophobicContact CG1-CE2 4.46Å; V529-F534 HydrophobicContact CG1-CG 3.93Å; V529-A613 HydrophobicContact CG2-CB 3.83Å; V529-F614 HydrophobicContact CG2-CB 4.36Å
530	S	94.8	Very high	96.6	Very high	49 Å²	49	38.9 Å²	38.9	34%	0.343	19%	0.193	S	C	.	.			trans	-61.4	122.7	-175.7	165.9	0	0	0	0	113.2	T532 K533 F534	S530-T532 PolarHBondContact O-N 2.81Å; S530-T532 PolarHBondContact OG-N 2.99Å; S530-T532 PolarHBondContact OG-OG1 3.48Å; S530-K533 PolarHBondContact O-N 3.17Å; S530-K533 PolarHBondContact OG-N 3.35Å; S530-F534 PolarHBondContact O-N 3.3Å
531	E	94.8	Very high	96.7	Very high	42 Å²	42	38 Å²	38	20%	0.196	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	173.3	-74.4	-179.2	-118.3	0	0	113.7	R312 F442 S444 Y522 H526 V529	R312-E531 WeakPolarHBondContact CD-O 3.47Å; R312-E531 WeakPolarHBondContact CG-O 3.45Å; R312-E531 PolarHBondContact NE-O 2.66Å; R312-E531 VanDerWaalsContact NE-O 3.12Å; F442-E531 HydrophobicContact CD1-CB 3.57Å; F442-E531 HydrophobicContact CD1-CG 4.43Å; F442-E531 HydrophobicContact CE1-CB 3.75Å; F442-E531 HydrophobicContact CE1-CG 4.42Å; F442-E531 VanDerWaalsContact CE1-OE2 3.3Å; F442-E531 WeakPolarHBondContact CE1-OE2 3.47Å; S444-E531 VanDerWaalsContact CB-OE2 3.3Å; S444-E531 WeakPolarHBondContact CB-OE2 3.43Å; S444-E531 PolarHBondContact OG-OE2 2.92Å; Y522-E531 HydrophobicContact CE1-CG 4.33Å; Y522-E531 WeakPolarHBondContact CE1-OE2 3.46Å; Y522-E531 PolarHBondContact OH-OE2 2.99Å; H526-E531 HydrophobicContact CB-CG 3.67Å; H526-E531 VanDerWaalsContact ND1-CG 3.29Å; H526-E531 WeakPolarHBondContact ND1-CG 3.49Å; V529-E531 PolarHBondContact O-N 3.15Å
532	T	95.5	Very high	96.7	Very high	19 Å²	19	38 Å²	38	12%	0.117	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5	179.9	57.8	0	0	0	0	113.5	R312 C315 N316 F442 S530	R312-T532 VanDerWaalsContact O-CB 3.31Å; R312-T532 WeakPolarHBondContact O-CB 3.45Å; R312-T532 WeakPolarHBondContact O-CG2 3.4Å; C315-T532 HydrophobicContact CB-CG2 3.91Å; N316-T532 PolarHBondContact ND2-O 3.47Å; F442-T532 HydrophobicContact CB-CG2 3.42Å; F442-T532 VanDerWaalsContact CB-CG2 3.42Å; F442-T532 HydrophobicContact CD1-CG2 4.28Å; F442-T532 HydrophobicContact CD2-CG2 4.43Å; F442-T532 HydrophobicContact CG-CG2 3.78Å; S530-T532 PolarHBondContact O-N 2.81Å; S530-T532 PolarHBondContact OG-N 2.99Å; S530-T532 PolarHBondContact OG-OG1 3.48Å
533	K	95.9	Very high	96.7	Very high	86 Å²	86	37.8 Å²	37.8	37%	0.374	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-31.6	172.9	-64.3	-169.2	-179.8	-167.5	0	112.9	D318 S530 E694 V695	D318-K533 IonicContact OD2-NZ 3.08Å; D318-K533 PolarHBondContact OD2-NZ 3.23Å; S530-K533 PolarHBondContact O-N 3.17Å; S530-K533 PolarHBondContact OG-N 3.35Å; K533-E694 CarbonylContact O-C 3.59Å; K533-E694 WeakPolarHBondContact O-CA 3.15Å; K533-V695 PolarHBondContact O-N 3.37Å
534	F	97.3	Very high	96.8	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.145	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141	176.8	-62.6	-87.8	0	0	0	112.2	H526 V529 S530 H617 Y692 E693 E694	H526-F534 PolarHBondContact CE1-O 3.29Å; V529-F534 HydrophobicContact CG1-CB 3.86Å; V529-F534 HydrophobicContact CG1-CD2 3.59Å; V529-F534 HydrophobicContact CG1-CE2 4.46Å; V529-F534 HydrophobicContact CG1-CG 3.93Å; S530-F534 PolarHBondContact O-N 3.3Å; F534-H617 AromaticContact CE1-CE1 3.81Å; F534-H617 AromaticContact CE1-NE2 3.64Å; F534-H617 AromaticContact CE2-NE2 3.77Å; F534-H617 AromaticContact CZ-CE1 3.77Å; F534-H617 AromaticContact CZ-NE2 3.12Å; F534-H617 WeakPolarHBondContact CZ-NE2 3.39Å; F534-Y692 HydrophobicContact CB-CD2 4.19Å; F534-Y692 AromaticContact CD1-CD2 3.85Å; F534-Y692 HydrophobicContact CD1-CD2 3.85Å; F534-Y692 AromaticContact CD1-CE2 3.94Å; F534-Y692 HydrophobicContact CD1-CE2 3.94Å; F534-Y692 HydrophobicContact CE1-CE2 4.4Å; F534-Y692 HydrophobicContact CG-CD2 4.27Å; F534-Y692 HydrophobicContact CG-CE2 4.41Å; F534-E693 CarbonylContact C-O 3.47Å; F534-E693 WeakPolarHBondContact CA-O 3.44Å; F534-E694 HydrophobicContact CD1-CB 4.34Å; F534-E694 HydrophobicContact CE1-CB 4.14Å
535	R	96	Very high	96.6	Very high	61 Å²	61	35.7 Å²	35.7	23%	0.23	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.3	171.1	66.2	178.4	-176.8	-171.7	-0.7	111.3	Y692 E693 V695	R535-Y692 CarbonylContact O-C 3.49Å; R535-Y692 VanDerWaalsContact O-CA 3.23Å; R535-Y692 WeakPolarHBondContact O-CA 3.23Å; R535-Y692 VanDerWaalsContact O-CB 3.32Å; R535-Y692 WeakPolarHBondContact O-CB 3.31Å; R535-E693 HydrophobicContact CG-CG 3.89Å; R535-E693 IonicContact CZ-OE1 3.43Å; R535-E693 PolarHBondContact N-O 3.27Å; R535-E693 IonicContact NE-OE1 2.61Å; R535-E693 PolarHBondContact NE-OE1 3.36Å; R535-E693 IonicContact NH2-OE1 2.82Å; R535-E693 PolarHBondContact NH2-OE1 3.42Å; R535-E693 PolarHBondContact O-N 2.86Å; R535-V695 HydrophobicContact CB-CG2 4.33Å
536	I	97.7	Very high	96.5	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.092	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	127.6	168.8	-66.7	176	0	0	0	108.4	Y522 F525 I539 I690	Y522-I536 HydrophobicContact CD2-CB 4.47Å; Y522-I536 HydrophobicContact CD2-CD1 3.77Å; Y522-I536 HydrophobicContact CD2-CG1 4.49Å; Y522-I536 HydrophobicContact CE2-CB 4.46Å; Y522-I536 HydrophobicContact CE2-CD1 4.29Å; Y522-I536 HydrophobicContact CG-CD1 4.43Å; F525-I536 HydrophobicContact CB-CD1 4.26Å; F525-I536 HydrophobicContact CD1-CD1 3.75Å; F525-I536 HydrophobicContact CD1-CG1 4.01Å; F525-I536 HydrophobicContact CE1-CD1 4.33Å; F525-I536 HydrophobicContact CE1-CG1 4.07Å; F525-I536 HydrophobicContact CG-CD1 4.13Å; I536-I539 HydrophobicContact CD1-CD1 4.43Å; I536-I539 HydrophobicContact CG2-CD1 4.26Å; I536-I539 HydrophobicContact CG2-CG1 3.71Å; I536-I690 HydrophobicContact CD1-CG2 3.85Å; I536-I690 HydrophobicContact CG1-CG2 3.85Å; I536-I690 HydrophobicContact CG2-CG2 4.24Å
537	I	96.1	Very high	96.4	Very high	78 Å²	78	41.8 Å²	41.8	40%	0.4	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-45.2	177.5	-55.3	167.5	0	0	0	109.8	V627 H691 E693	I537-V627 HydrophobicContact CD1-CB 4.25Å; I537-V627 HydrophobicContact CD1-CG1 3.75Å; I537-V627 HydrophobicContact CD1-CG2 3.6Å; I537-H691 PolarHBondContact N-O 3.3Å; I537-E693 HydrophobicContact CD1-CB 4.02Å; I537-E693 HydrophobicContact CD1-CG 3.81Å; I537-E693 HydrophobicContact CG1-CG 3.85Å
538	K	96.9	Very high	96.5	Very high	92 Å²	92	36 Å²	36	40%	0.4	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	154.5	178.1	56.6	170.5	174.2	156.7	0	111.4	Q540 H691	K538-Q540 HydrophobicContact CD-CG 4.4Å; K538-H691 VanDerWaalsContact CE-CD2 3.43Å; K538-H691 WeakPolarHBondContact CE-CD2 3.47Å; K538-H691 HydrophobicContact CG-CB 3.83Å; K538-H691 PolarHBondContact N-O 3.47Å; K538-H691 PolarHBondContact O-N 2.95Å
539	I	98.6	Very high	96.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.6	169.7	-54	-179.5	0	0	0	107.4	V511 Y518 V521 I536 F688 I689	V511-I539 HydrophobicContact CB-CB 4.35Å; V511-I539 HydrophobicContact CB-CG2 4.42Å; V511-I539 HydrophobicContact CG2-CB 4.42Å; V511-I539 HydrophobicContact CG2-CG2 4.04Å; V511-I539 PolarHBondContact N-O 3.11Å; Y518-I539 HydrophobicContact CD1-CD1 4.11Å; Y518-I539 HydrophobicContact CD2-CB 4.02Å; Y518-I539 HydrophobicContact CD2-CD1 3.74Å; Y518-I539 HydrophobicContact CD2-CG1 3.99Å; Y518-I539 HydrophobicContact CE1-CD1 4.07Å; Y518-I539 HydrophobicContact CE2-CB 3.98Å; Y518-I539 HydrophobicContact CE2-CD1 3.71Å; Y518-I539 HydrophobicContact CE2-CG1 3.65Å; Y518-I539 HydrophobicContact CG-CD1 3.92Å; V521-I539 HydrophobicContact CB-CD1 3.95Å; V521-I539 HydrophobicContact CB-CG2 4.49Å; V521-I539 HydrophobicContact CG1-CD1 3.84Å; V521-I539 HydrophobicContact CG1-CG2 4.12Å; I536-I539 HydrophobicContact CD1-CD1 4.43Å; I536-I539 HydrophobicContact CG2-CD1 4.26Å; I536-I539 HydrophobicContact CG2-CG1 3.71Å; I539-F688 HydrophobicContact CG2-CB 4.12Å; I539-F688 HydrophobicContact CG2-CD1 3.94Å; I539-F688 HydrophobicContact CG2-CG 4.34Å; I539-I689 CarbonylContact C-O 3.52Å; I539-I689 WeakPolarHBondContact CA-O 3.45Å
540	Q	98.1	Very high	96.4	Very high	20 Å²	20	40.9 Å²	40.9	9%	0.093	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.1	175.9	-64.9	-175.2	-108	0	0	110.3	R508 V509 K538 F688 I689	R508-Q540 HydrophobicContact CB-CB 4.36Å; R508-Q540 PolarHBondContact O-NE2 3.18Å; V509-Q540 CarbonylContact O-C 3.56Å; V509-Q540 VanDerWaalsContact O-CA 3.27Å; V509-Q540 WeakPolarHBondContact O-CA 3.21Å; K538-Q540 HydrophobicContact CD-CG 4.4Å; Q540-F688 CarbonylContact O-C 3.57Å; Q540-F688 VanDerWaalsContact O-CA 3.31Å; Q540-F688 WeakPolarHBondContact O-CA 3.49Å; Q540-I689 HydrophobicContact CB-CB 4.45Å; Q540-I689 HydrophobicContact CB-CD1 4.46Å; Q540-I689 PolarHBondContact N-O 3.47Å; Q540-I689 PolarHBondContact O-N 3.13Å
541	R	97.9	Very high	96.5	Very high	16 Å²	16	38.7 Å²	38.7	6%	0.06	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128	171.3	177.8	164.9	58.3	-113.8	3	108.8	T496 R508 V509 V511 D515 Q543 F688	T496-R541 PolarHBondContact O-NE 2.9Å; T496-R541 PolarHBondContact O-NH2 2.87Å; R508-R541 CarbonylContact C-O 3.57Å; R508-R541 WeakPolarHBondContact CA-O 3.48Å; V509-R541 PolarHBondContact N-O 3.47Å; V509-R541 PolarHBondContact O-N 3.04Å; V511-R541 HydrophobicContact CG2-CB 3.92Å; D515-R541 IonicContact OD2-NH1 3.26Å; D515-R541 PolarHBondContact OD2-NH1 3.14Å; R541-Q543 HydrophobicContact CG-CG 4.45Å; R541-F688 HydrophobicContact CB-CD1 3.95Å; R541-F688 HydrophobicContact CB-CE1 3.81Å; R541-F688 HydrophobicContact CG-CE1 4.14Å
542	V	97.6	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	130.3	172.9	-176.7	0	0	0	0	108.4	L507 C587 F631 Y685 P686 Y687 I689	L507-V542 WeakPolarHBondContact O-CA 3.38Å; V542-C587 HydrophobicContact CG1-CB 4.27Å; V542-F631 HydrophobicContact CG2-CE1 4.33Å; V542-Y685 PolarHBondContact O-OH 3.18Å; V542-P686 VanDerWaalsContact CB-O 3.27Å; V542-P686 WeakPolarHBondContact CB-O 3.49Å; V542-Y687 PolarHBondContact N-O 2.85Å; V542-I689 HydrophobicContact CG2-CD1 3.96Å; V542-I689 HydrophobicContact CG2-CG1 3.86Å
543	Q	96.8	Very high	96.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	106.2	171.5	-60.3	-177.4	-165	0	0	108	W497 L498 M500 F506 L507 V509 R541	W497-Q543 HydrophobicContact CB-CG 4.38Å; W497-Q543 HydrophobicContact CD2-CB 3.88Å; W497-Q543 HydrophobicContact CD2-CG 3.62Å; W497-Q543 HydrophobicContact CE3-CB 3.77Å; W497-Q543 HydrophobicContact CE3-CG 4.03Å; W497-Q543 HydrophobicContact CG-CG 3.78Å; W497-Q543 HydrophobicContact CH2-CB 4.23Å; W497-Q543 HydrophobicContact CZ2-CB 4.33Å; W497-Q543 HydrophobicContact CZ2-CG 4.48Å; W497-Q543 HydrophobicContact CZ3-CB 3.95Å; L498-Q543 PolarHBondContact O-NE2 2.82Å; M500-Q543 HydrophobicContact SD-CB 3.68Å; F506-Q543 CarbonylContact C-O 3.6Å; F506-Q543 WeakPolarHBondContact CA-O 3.44Å; L507-Q543 HydrophobicContact CB-CB 4.3Å; L507-Q543 PolarHBondContact N-O 3.29Å; L507-Q543 PolarHBondContact O-N 2.95Å; V509-Q543 HydrophobicContact CG2-CG 4.41Å; R541-Q543 HydrophobicContact CG-CG 4.45Å
544	N	96.6	Very high	96.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	19%	0.194	C	C	.	.			trans	-131.1	101.3	173.3	-178.8	-41.7	0	0	0	107.8	F506 F546 L547 W548 C587 K588 Y685	F506-N544 HydrophobicContact CB-CB 3.89Å; N544-F546 VanDerWaalsContact C-N 3.34Å; N544-F546 PolarHBondContact O-N 2.9Å; N544-F546 PolarHBondContact OD1-N 2.91Å; N544-L547 HydrophobicContact CB-CB 4.15Å; N544-L547 HydrophobicContact CB-CD1 4.3Å; N544-L547 HydrophobicContact CB-CG 4.35Å; N544-L547 WeakPolarHBondContact ND2-CD1 3.46Å; N544-L547 PolarHBondContact O-N 2.83Å; N544-L547 WeakPolarHBondContact OD1-CG 3.31Å; N544-L547 PolarHBondContact OD1-N 3.38Å; N544-W548 WeakPolarHBondContact O-CB 3.33Å; N544-W548 PolarHBondContact O-N 3.28Å; N544-C587 PolarHBondContact ND2-O 3.01Å; N544-K588 PolarHBondContact ND2-O 3.36Å; N544-Y685 HydrophobicContact CB-CE2 4.39Å; N544-Y685 PolarHBondContact N-OH 3.34Å
545	P	94.4	Very high	96.3	Very high	37 Å²	37	45.6 Å²	45.6	24%	0.24	20%	0.201	C	C	.	.	H	α-helix	trans	-56	-44.5	-175.1	-28.2	35.4	0	0	0	113.3	F493 W497 M500 W548 E549	F493-P545 HydrophobicContact CE1-CB 3.69Å; F493-P545 HydrophobicContact CZ-CB 3.91Å; W497-P545 HydrophobicContact CZ3-CG 4.15Å; M500-P545 HydrophobicContact CE-CG 4.15Å; M500-P545 HydrophobicContact SD-CG 3.94Å; P545-W548 PolarHBondContact O-N 3.38Å; P545-E549 PolarHBondContact O-N 2.95Å
546	F	94.8	Very high	96.1	Very high	144 Å²	144	47.1 Å²	47.1	63%	0.632	21%	0.211	S	C	*	.	H	α-helix	trans	-64.6	-45.8	-177.9	175.5	-102.2	0	0	0	112.4	N544 W548 K550	N544-F546 VanDerWaalsContact C-N 3.34Å; N544-F546 PolarHBondContact O-N 2.9Å; N544-F546 PolarHBondContact OD1-N 2.91Å; F546-W548 VanDerWaalsContact C-N 3.34Å; F546-K550 VanDerWaalsContact O-CB 3.31Å; F546-K550 WeakPolarHBondContact O-CB 3.43Å; F546-K550 PolarHBondContact O-N 3.27Å
547	L	96.8	Very high	95.8	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-34.6	176.3	-65.1	-176	0	0	0	112	N544 K550 Y551 N590 Y685	N544-L547 HydrophobicContact CB-CB 4.15Å; N544-L547 HydrophobicContact CB-CD1 4.3Å; N544-L547 HydrophobicContact CB-CG 4.35Å; N544-L547 WeakPolarHBondContact ND2-CD1 3.46Å; N544-L547 PolarHBondContact O-N 2.83Å; N544-L547 WeakPolarHBondContact OD1-CG 3.31Å; N544-L547 PolarHBondContact OD1-N 3.38Å; L547-K550 PolarHBondContact O-N 3.17Å; L547-Y551 VanDerWaalsContact O-CB 3.24Å; L547-Y551 WeakPolarHBondContact O-CB 3.2Å; L547-Y551 PolarHBondContact O-N 3Å; L547-N590 HydrophobicContact CD1-CB 3.76Å; L547-N590 HydrophobicContact CD2-CB 3.81Å; L547-N590 HydrophobicContact CG-CB 4.42Å; L547-Y685 HydrophobicContact CB-CD2 3.98Å; L547-Y685 HydrophobicContact CB-CE2 3.97Å
548	W	96.1	Very high	95.5	Very high	18 Å²	18	49.5 Å²	49.5	7%	0.068	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-44.2	176.3	178.4	-101	0	0	0	112.4	L492 F493 P494 W497 N544 P545 F546 Y551 K552 K634 Y685	L492-W548 PolarHBondContact O-NE1 2.72Å; F493-W548 AromaticContact CD1-CD1 3.63Å; F493-W548 HydrophobicContact CD1-CG 4.43Å; P494-W548 HydrophobicContact CG-CH2 3.81Å; P494-W548 HydrophobicContact CG-CZ2 3.49Å; P494-W548 VanDerWaalsContact CG-CZ2 3.49Å; W497-W548 HydrophobicContact CH2-CB 3.63Å; W497-W548 HydrophobicContact CH2-CD2 4.46Å; W497-W548 AromaticContact CH2-CG 3.93Å; W497-W548 HydrophobicContact CH2-CG 3.93Å; W497-W548 HydrophobicContact CZ2-CB 4.19Å; W497-W548 HydrophobicContact CZ2-CD2 4.19Å; W497-W548 HydrophobicContact CZ2-CE3 4.32Å; W497-W548 HydrophobicContact CZ2-CG 4.14Å; N544-W548 WeakPolarHBondContact O-CB 3.33Å; N544-W548 PolarHBondContact O-N 3.28Å; P545-W548 PolarHBondContact O-N 3.38Å; F546-W548 VanDerWaalsContact C-N 3.34Å; W548-Y551 HydrophobicContact CE3-CD1 4.44Å; W548-Y551 HydrophobicContact CZ3-CD1 4.42Å; W548-Y551 PolarHBondContact O-N 2.84Å; W548-K552 HydrophobicContact CD2-CG 4.3Å; W548-K552 HydrophobicContact CG-CG 4.46Å; W548-K552 HydrophobicContact CZ2-CD 4.11Å; W548-K552 HydrophobicContact CZ2-CG 4.19Å; W548-K552 VanDerWaalsContact O-CB 3.31Å; W548-K552 WeakPolarHBondContact O-CB 3.47Å; W548-K552 WeakPolarHBondContact O-CG 3.41Å; W548-K552 PolarHBondContact O-N 2.99Å; W548-K634 HydrophobicContact CH2-CD 4.47Å; W548-K634 HydrophobicContact CZ3-CD 4Å; W548-Y685 HydrophobicContact CB-CD2 4.3Å; W548-Y685 HydrophobicContact CB-CE2 3.84Å; W548-Y685 AromaticContact CE3-CD1 3.98Å; W548-Y685 HydrophobicContact CE3-CD1 3.98Å; W548-Y685 HydrophobicContact CE3-CD2 4.25Å; W548-Y685 HydrophobicContact CE3-CE1 4.01Å; W548-Y685 HydrophobicContact CE3-CE2 4.29Å; W548-Y685 HydrophobicContact CE3-CG 4.12Å; W548-Y685 HydrophobicContact CZ3-CD1 4.26Å; W548-Y685 HydrophobicContact CZ3-CE1 4.47Å
549	E	95.3	Very high	95.1	Very high	79 Å²	79	46 Å²	46	37%	0.369	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-45.9	172.7	-82.7	-171	-139.8	0	0	112.3	F493 P545 Y551 K552 R553	F493-E549 HydrophobicContact CE1-CG 4.49Å; P545-E549 PolarHBondContact O-N 2.95Å; E549-Y551 VanDerWaalsContact C-N 3.31Å; E549-Y551 PolarHBondContact O-N 2.95Å; E549-K552 PolarHBondContact O-N 3.29Å; E549-R553 WeakPolarHBondContact O-CB 3.16Å; E549-R553 PolarHBondContact O-N 3.12Å; E549-R553 IonicContact OE2-CZ 3.95Å; E549-R553 IonicContact OE2-NH2 3.83Å; E549-R553 PolarHBondContact OE2-NH2 3.26Å
550	K	96.1	Very high	94.5	Very high	58 Å²	58	55 Å²	55	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-57.8	-45.8	177.5	-177.5	170.8	176.7	176.8	0	110.7	F546 L547 K554 D681 D682	F546-K550 VanDerWaalsContact O-CB 3.31Å; F546-K550 WeakPolarHBondContact O-CB 3.43Å; F546-K550 PolarHBondContact O-N 3.27Å; L547-K550 PolarHBondContact O-N 3.17Å; K550-K554 PolarHBondContact O-N 3.36Å; K550-K554 VanDerWaalsContact O-N 3.15Å; K550-D681 VanDerWaalsContact CE-OD1 3.26Å; K550-D681 WeakPolarHBondContact CE-OD1 3.2Å; K550-D681 WeakPolarHBondContact CE-OD2 3.37Å; K550-D681 IonicContact NZ-OD1 3.96Å; K550-D681 PolarHBondContact NZ-OD1 3.21Å; K550-D681 IonicContact NZ-OD2 3.97Å; K550-D681 PolarHBondContact NZ-OD2 3.41Å; K550-D682 HydrophobicContact CD-CB 4.22Å; K550-D682 HydrophobicContact CG-CB 3.64Å
551	Y	97.1	Very high	93.4	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-50.5	174.5	176.1	-96.7	0	0	0	113.3	L547 W548 E549 R553 K554 K555 E571 K634 L636	L547-Y551 VanDerWaalsContact O-CB 3.24Å; L547-Y551 WeakPolarHBondContact O-CB 3.2Å; L547-Y551 PolarHBondContact O-N 3Å; W548-Y551 HydrophobicContact CE3-CD1 4.44Å; W548-Y551 HydrophobicContact CZ3-CD1 4.42Å; W548-Y551 PolarHBondContact O-N 2.84Å; E549-Y551 VanDerWaalsContact C-N 3.31Å; E549-Y551 PolarHBondContact O-N 2.95Å; Y551-R553 PolarHBondContact O-N 3.09Å; Y551-K554 PolarHBondContact O-N 3.17Å; Y551-K555 PolarHBondContact O-N 2.83Å; Y551-E571 WeakPolarHBondContact OH-CG 3.39Å; Y551-E571 PolarHBondContact OH-OE1 3.08Å; Y551-K634 HydrophobicContact CE1-CB 4.28Å; Y551-K634 HydrophobicContact CE1-CD 4.43Å; Y551-K634 HydrophobicContact CE2-CB 4.12Å; Y551-L636 HydrophobicContact CD2-CD1 4.27Å; Y551-L636 HydrophobicContact CD2-CG 4.34Å; Y551-L636 HydrophobicContact CE2-CD1 3.99Å; Y551-L636 HydrophobicContact CE2-CD2 4.09Å; Y551-L636 HydrophobicContact CE2-CG 3.6Å; Y551-L636 WeakPolarHBondContact OH-CD2 3.28Å
552	K	95	Very high	92.7	Very high	78 Å²	78	60.4 Å²	60.4	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-56.3	-48.9	177.8	-83.5	-86.9	-63.4	-167.6	0	111.7	W548 E549 K554 K555 E556	W548-K552 HydrophobicContact CD2-CG 4.3Å; W548-K552 HydrophobicContact CG-CG 4.46Å; W548-K552 HydrophobicContact CZ2-CD 4.11Å; W548-K552 HydrophobicContact CZ2-CG 4.19Å; W548-K552 VanDerWaalsContact O-CB 3.31Å; W548-K552 WeakPolarHBondContact O-CB 3.47Å; W548-K552 WeakPolarHBondContact O-CG 3.41Å; W548-K552 PolarHBondContact O-N 2.99Å; E549-K552 PolarHBondContact O-N 3.29Å; K552-K554 VanDerWaalsContact C-N 3.3Å; K552-K554 PolarHBondContact O-N 2.82Å; K552-K555 WeakPolarHBondContact O-CB 3.45Å; K552-K555 PolarHBondContact O-N 3.28Å; K552-K555 VanDerWaalsContact O-N 3.15Å; K552-E556 WeakPolarHBondContact CE-OE1 3.25Å; K552-E556 IonicContact NZ-OE1 2.69Å; K552-E556 WeakPolarHBondContact O-CG 3.23Å; K552-E556 PolarHBondContact O-N 2.76Å
553	R	95.4	Very high	92	Very high	147 Å²	147	63.1 Å²	63.1	56%	0.555	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-37.8	179	-165.4	176.7	-64.6	117.4	2.3	111.6	E549 Y551 Y557	E549-R553 WeakPolarHBondContact O-CB 3.16Å; E549-R553 PolarHBondContact O-N 3.12Å; E549-R553 IonicContact OE2-CZ 3.95Å; E549-R553 IonicContact OE2-NH2 3.83Å; E549-R553 PolarHBondContact OE2-NH2 3.26Å; Y551-R553 PolarHBondContact O-N 3.09Å; R553-Y557 WeakPolarHBondContact O-CB 3.41Å; R553-Y557 PolarHBondContact O-N 3.22Å
554	K	95.3	Very high	91.1	Very high	31 Å²	31	70.7 Å²	70.7	14%	0.135	31%	0.311	C	S	.	.	H	α-helix	trans	-70.6	-41.4	173.2	-172.1	53.9	164.4	-78.3	0	112.5	K550 Y551 K552 E556 Y557 M558 L636 D682 Q683	K550-K554 PolarHBondContact O-N 3.36Å; K550-K554 VanDerWaalsContact O-N 3.15Å; Y551-K554 PolarHBondContact O-N 3.17Å; K552-K554 VanDerWaalsContact C-N 3.3Å; K552-K554 PolarHBondContact O-N 2.82Å; K554-E556 VanDerWaalsContact C-N 3.34Å; K554-E556 PolarHBondContact O-N 2.88Å; K554-Y557 HydrophobicContact CD-CD1 4.32Å; K554-Y557 PolarHBondContact O-N 2.89Å; K554-M558 HydrophobicContact CD-CG 4.22Å; K554-M558 HydrophobicContact CD-SD 4.06Å; K554-M558 HydrophobicContact CG-SD 3.9Å; K554-M558 WeakPolarHBondContact O-CG 3.49Å; K554-M558 PolarHBondContact O-N 2.83Å; K554-L636 HydrophobicContact CB-CD1 3.97Å; K554-L636 HydrophobicContact CG-CD1 3.86Å; K554-D682 HydrophobicContact CB-CB 4.08Å; K554-D682 WeakPolarHBondContact CB-O 3.45Å; K554-D682 VanDerWaalsContact CD-OD2 3.29Å; K554-D682 WeakPolarHBondContact CD-OD2 3.36Å; K554-D682 HydrophobicContact CG-CB 4.23Å; K554-D682 WeakPolarHBondContact CG-OD2 3.38Å; K554-D682 IonicContact NZ-OD1 3.86Å; K554-D682 PolarHBondContact NZ-OD1 3.36Å; K554-D682 IonicContact NZ-OD2 2.89Å; K554-D682 PolarHBondContact NZ-OD2 3.14Å; K554-Q683 HydrophobicContact CG-CG 3.99Å
555	K	93.8	Very high	90.2	Very high	69 Å²	69	75 Å²	75	30%	0.3	33%	0.332	S	S	.	.	H	α-helix	trans	-57.8	-47.2	174.2	-176.7	175.5	175.1	178.8	0	111	Y551 K552 M558 S559 E571 L636	Y551-K555 PolarHBondContact O-N 2.83Å; K552-K555 WeakPolarHBondContact O-CB 3.45Å; K552-K555 PolarHBondContact O-N 3.28Å; K552-K555 VanDerWaalsContact O-N 3.15Å; K555-M558 PolarHBondContact O-N 3Å; K555-S559 VanDerWaalsContact O-CB 3.23Å; K555-S559 WeakPolarHBondContact O-CB 3.21Å; K555-S559 PolarHBondContact O-N 3.48Å; K555-S559 PolarHBondContact O-OG 3.31Å; K555-E571 WeakPolarHBondContact CE-OE2 3.33Å; K555-E571 IonicContact NZ-OE2 2.66Å; K555-E571 PolarHBondContact NZ-OE2 2.73Å; K555-L636 VanDerWaalsContact CA-CD1 3.49Å; K555-L636 HydrophobicContact CB-CD1 3.83Å; K555-L636 HydrophobicContact CB-CD2 3.81Å; K555-L636 HydrophobicContact CB-CG 4.46Å; K555-L636 HydrophobicContact CD-CD2 4.26Å; K555-L636 HydrophobicContact CG-CD2 3.8Å; K555-L636 VanDerWaalsContact N-CD1 3.29Å
556	E	92.3	Very high	89.6	Confident	94 Å²	94	77 Å²	77	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-41.8	178.6	-73.1	162.7	-154.2	0	0	112	K552 K554 R560	K552-E556 WeakPolarHBondContact CE-OE1 3.25Å; K552-E556 IonicContact NZ-OE1 2.69Å; K552-E556 WeakPolarHBondContact O-CG 3.23Å; K552-E556 PolarHBondContact O-N 2.76Å; K554-E556 VanDerWaalsContact C-N 3.34Å; K554-E556 PolarHBondContact O-N 2.88Å; E556-R560 WeakPolarHBondContact O-CG 3.39Å; E556-R560 PolarHBondContact O-N 3.49Å
557	Y	91.5	Very high	89	Confident	136 Å²	136	75.6 Å²	75.6	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-59.4	-51.3	174.3	173.5	-94.9	0	0	0	112.1	R553 K554 R560	R553-Y557 WeakPolarHBondContact O-CB 3.41Å; R553-Y557 PolarHBondContact O-N 3.22Å; K554-Y557 HydrophobicContact CD-CD1 4.32Å; K554-Y557 PolarHBondContact O-N 2.89Å; Y557-R560 PolarHBondContact O-N 3.37Å
558	M	90.1	Very high	88	Confident	9 Å²	9	79.1 Å²	79.1	4%	0.044	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-41.9	-179.6	-67.7	170.2	64.7	0	0	111.7	K554 K555 R560 R561 M562 L636 D664 Q683	K554-M558 HydrophobicContact CD-CG 4.22Å; K554-M558 HydrophobicContact CD-SD 4.06Å; K554-M558 HydrophobicContact CG-SD 3.9Å; K554-M558 WeakPolarHBondContact O-CG 3.49Å; K554-M558 PolarHBondContact O-N 2.83Å; K555-M558 PolarHBondContact O-N 3Å; M558-R560 PolarHBondContact O-N 3.38Å; M558-R560 VanDerWaalsContact O-N 3.16Å; M558-R561 PolarHBondContact O-N 2.91Å; M558-M562 HydrophobicContact CB-CE 4.1Å; M558-M562 HydrophobicContact CE-CE 4.23Å; M558-L636 HydrophobicContact CE-CB 3.86Å; M558-L636 HydrophobicContact SD-CB 3.76Å; M558-L636 HydrophobicContact SD-CD1 3.94Å; M558-L636 HydrophobicContact SD-CG 4.43Å; M558-D664 HydrophobicContact CE-CB 3.81Å; M558-Q683 HydrophobicContact SD-CG 4.17Å
559	S	87.9	Confident	87.3	Confident	19 Å²	19	81 Å²	81	13%	0.133	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-27	-178.1	-62.4	0	0	0	0	113.8	K555 R561 M562 R567	K555-S559 VanDerWaalsContact O-CB 3.23Å; K555-S559 WeakPolarHBondContact O-CB 3.21Å; K555-S559 PolarHBondContact O-N 3.48Å; K555-S559 PolarHBondContact O-OG 3.31Å; S559-R561 PolarHBondContact O-N 3.27Å; S559-R561 VanDerWaalsContact O-N 3.1Å; S559-M562 PolarHBondContact O-N 2.92Å; S559-R567 VanDerWaalsContact O-CZ 3.29Å; S559-R567 PolarHBondContact O-NE 2.65Å; S559-R567 PolarHBondContact O-NH2 3.14Å
560	R	85.6	Confident	86.9	Confident	190 Å²	190	77.4 Å²	77.4	72%	0.717	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.7	178.5	-71.8	163.6	-167.6	-154.2	0.8	113.5	E556 Y557 M558	E556-R560 WeakPolarHBondContact O-CG 3.39Å; E556-R560 PolarHBondContact O-N 3.49Å; Y557-R560 PolarHBondContact O-N 3.37Å; M558-R560 PolarHBondContact O-N 3.38Å; M558-R560 VanDerWaalsContact O-N 3.16Å
561	R	76.2	Confident	86.8	Confident	130 Å²	130	75.7 Å²	75.7	49%	0.491	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	17.2	-170.7	-53.7	-174.9	67.7	-166.5	-2.3	113.5	M558 S559 R639 D661	M558-R561 PolarHBondContact O-N 2.91Å; S559-R561 PolarHBondContact O-N 3.27Å; S559-R561 VanDerWaalsContact O-N 3.1Å; R561-R639 PolarHBondContact O-NH2 2.99Å; R561-D661 IonicContact CZ-OD1 3.47Å; R561-D661 IonicContact CZ-OD2 3.46Å; R561-D661 VanDerWaalsContact NH1-CG 3.26Å; R561-D661 IonicContact NH1-OD1 2.66Å; R561-D661 PolarHBondContact NH1-OD1 3.45Å; R561-D661 IonicContact NH1-OD2 3.44Å; R561-D661 PolarHBondContact NH1-OD2 2.66Å; R561-D661 VanDerWaalsContact NH2-CG 3.34Å; R561-D661 IonicContact NH2-OD1 3.39Å; R561-D661 PolarHBondContact NH2-OD1 2.98Å; R561-D661 IonicContact NH2-OD2 2.68Å; R561-D661 PolarHBondContact NH2-OD2 3.42Å
562	M	83.4	Confident	86.7	Confident	19 Å²	19	78.1 Å²	78.1	9%	0.094	35%	0.347	C	S	.	.	S	Bend	trans	-126.9	141.2	-172.5	-72.1	178.8	-177	0	0	109.4	M558 S559 D566 R567	M558-M562 HydrophobicContact CB-CE 4.1Å; M558-M562 HydrophobicContact CE-CE 4.23Å; S559-M562 PolarHBondContact O-N 2.92Å; M562-D566 HydrophobicContact CB-CB 3.79Å; M562-D566 HydrophobicContact CG-CB 4.19Å; M562-R567 HydrophobicContact CB-CG 3.85Å; M562-R567 PolarHBondContact O-NE 3.01Å
563	S	82.8	Confident	86.8	Confident	58 Å²	58	77.4 Å²	77.4	41%	0.406	34%	0.344	S	S	.	.			trans	-65.3	167.4	168.2	73.4	0	0	0	0	110.6	M565 D566 R567	S563-M565 VanDerWaalsContact C-N 3.26Å; S563-M565 PolarHBondContact O-N 2.71Å; S563-D566 VanDerWaalsContact CB-OD2 3.24Å; S563-D566 WeakPolarHBondContact CB-OD2 3.27Å; S563-D566 PolarHBondContact N-OD2 2.8Å; S563-D566 PolarHBondContact O-N 3.01Å; S563-D566 PolarHBondContact OG-N 3.1Å; S563-D566 PolarHBondContact OG-OD2 3.33Å; S563-R567 VanDerWaalsContact O-CG 3.31Å; S563-R567 WeakPolarHBondContact O-CG 3.42Å; S563-R567 PolarHBondContact O-N 2.84Å
564	E	77.2	Confident	87	Confident	158 Å²	158	70.5 Å²	70.5	74%	0.738	32%	0.319	S	S	*	.	H	α-helix	trans	-57.6	-40.5	176.6	-172.2	166.2	-153.3	0	0	112.3	R567 L568	E564-R567 PolarHBondContact O-N 2.8Å; E564-L568 WeakPolarHBondContact O-CG 3.1Å; E564-L568 PolarHBondContact O-N 3.07Å
565	M	77.6	Confident	87.2	Confident	95 Å²	95	69.3 Å²	69.3	47%	0.468	31%	0.314	S	S	.	.	H	α-helix	trans	-65.2	-43.8	174.7	-170.3	59.9	64	0	0	112.2	L75 S563 R567 L568 L569	L75-M565 HydrophobicContact CD2-CE 4.24Å; L75-M565 HydrophobicContact CD2-SD 3.7Å; S563-M565 VanDerWaalsContact C-N 3.26Å; S563-M565 PolarHBondContact O-N 2.71Å; M565-R567 VanDerWaalsContact C-N 3.31Å; M565-R567 PolarHBondContact O-N 3.38Å; M565-L568 PolarHBondContact O-N 3.21Å; M565-L569 HydrophobicContact CG-CD1 4.34Å; M565-L569 WeakPolarHBondContact O-CG 3.49Å; M565-L569 PolarHBondContact O-N 3.46Å
566	D	81.6	Confident	87.3	Confident	80 Å²	80	67.8 Å²	67.8	43%	0.428	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-39	177.5	-62.3	-50.4	0	0	0	111.5	M562 S563 L569 S570	M562-D566 HydrophobicContact CB-CB 3.79Å; M562-D566 HydrophobicContact CG-CB 4.19Å; S563-D566 VanDerWaalsContact CB-OD2 3.24Å; S563-D566 WeakPolarHBondContact CB-OD2 3.27Å; S563-D566 PolarHBondContact N-OD2 2.8Å; S563-D566 PolarHBondContact O-N 3.01Å; S563-D566 PolarHBondContact OG-N 3.1Å; S563-D566 PolarHBondContact OG-OD2 3.33Å; D566-L569 CarbonylContact O-C 3.55Å; D566-L569 PolarHBondContact O-N 3.21Å; D566-S570 VanDerWaalsContact O-CB 3.28Å; D566-S570 WeakPolarHBondContact O-CB 3.29Å; D566-S570 PolarHBondContact O-N 2.85Å
567	R	81.7	Confident	87.5	Confident	114 Å²	114	63.6 Å²	63.6	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-48.7	177.2	-71.6	169.4	-172	178	1.6	111.5	S559 M562 S563 E564 M565 L569 S570	S559-R567 VanDerWaalsContact O-CZ 3.29Å; S559-R567 PolarHBondContact O-NE 2.65Å; S559-R567 PolarHBondContact O-NH2 3.14Å; M562-R567 HydrophobicContact CB-CG 3.85Å; M562-R567 PolarHBondContact O-NE 3.01Å; S563-R567 VanDerWaalsContact O-CG 3.31Å; S563-R567 WeakPolarHBondContact O-CG 3.42Å; S563-R567 PolarHBondContact O-N 2.84Å; E564-R567 PolarHBondContact O-N 2.8Å; M565-R567 VanDerWaalsContact C-N 3.31Å; M565-R567 PolarHBondContact O-N 3.38Å; R567-L569 PolarHBondContact O-N 3.13Å; R567-S570 PolarHBondContact O-N 3.09Å; R567-S570 PolarHBondContact O-OG 3.31Å
568	L	75.8	Confident	87.7	Confident	78 Å²	78	57.9 Å²	57.9	41%	0.408	27%	0.269	S	S	.	.	H	α-helix	trans	-60.4	-31	177.2	-65.1	170.1	0	0	0	112.7	D79 E564 M565	D79-L568 WeakPolarHBondContact OD2-CD2 3.29Å; E564-L568 WeakPolarHBondContact O-CG 3.1Å; E564-L568 PolarHBondContact O-N 3.07Å; M565-L568 PolarHBondContact O-N 3.21Å
569	L	81.7	Confident	87.8	Confident	57 Å²	57	58.5 Å²	58.5	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-90.8	-14.2	178.6	-62.4	175.5	0	0	0	113.8	S74 M565 D566 R567 R572	S74-L569 WeakPolarHBondContact OG-CD2 3.4Å; M565-L569 HydrophobicContact CG-CD1 4.34Å; M565-L569 WeakPolarHBondContact O-CG 3.49Å; M565-L569 PolarHBondContact O-N 3.46Å; D566-L569 CarbonylContact O-C 3.55Å; D566-L569 PolarHBondContact O-N 3.21Å; R567-L569 PolarHBondContact O-N 3.13Å; L569-R572 PolarHBondContact O-NE 3.08Å; L569-R572 PolarHBondContact O-NH1 2.75Å; L569-R572 VanDerWaalsContact O-NH1 3.12Å; L569-R572 PolarHBondContact O-NH2 2.91Å
570	S	87.4	Confident	88	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-76.7	-37.2	-176.5	72.4	0	0	0	0	113.7	D566 R567 L636 T637 G638	D566-S570 VanDerWaalsContact O-CB 3.28Å; D566-S570 WeakPolarHBondContact O-CB 3.29Å; D566-S570 PolarHBondContact O-N 2.85Å; R567-S570 PolarHBondContact O-N 3.09Å; R567-S570 PolarHBondContact O-OG 3.31Å; S570-L636 CarbonylContact O-C 3.54Å; S570-T637 PolarHBondContact O-N 3.24Å; S570-T637 PolarHBondContact O-OG1 3.43Å; S570-G638 PolarHBondContact O-N 3.37Å
571	E	94.2	Very high	88.4	Confident	23 Å²	23	57 Å²	57	11%	0.107	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	127.8	174.9	176.9	171.3	-164.6	0	0	109.4	Y551 K555 K634 V635 L636	Y551-E571 WeakPolarHBondContact OH-CG 3.39Å; Y551-E571 PolarHBondContact OH-OE1 3.08Å; K555-E571 WeakPolarHBondContact CE-OE2 3.33Å; K555-E571 IonicContact NZ-OE2 2.66Å; K555-E571 PolarHBondContact NZ-OE2 2.73Å; E571-K634 WeakPolarHBondContact OE1-CD 3.36Å; E571-K634 WeakPolarHBondContact OE1-CG 3.23Å; E571-K634 IonicContact OE1-NZ 3.13Å; E571-K634 PolarHBondContact OE1-NZ 3.41Å; E571-K634 IonicContact OE2-NZ 2.73Å; E571-V635 CarbonylContact C-O 3.59Å; E571-V635 WeakPolarHBondContact CA-O 3.29Å; E571-L636 HydrophobicContact CB-CD2 4.24Å
572	R	95.2	Very high	89.2	Confident	52 Å²	52	52.9 Å²	52.9	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.2	178.5	-66	-176.4	167.4	104.6	-1.3	110.6	L569 L574 V635 T637 Y676	L569-R572 PolarHBondContact O-NE 3.08Å; L569-R572 PolarHBondContact O-NH1 2.75Å; L569-R572 VanDerWaalsContact O-NH1 3.12Å; L569-R572 PolarHBondContact O-NH2 2.91Å; R572-L574 HydrophobicContact CB-CD1 4.21Å; R572-L574 HydrophobicContact CB-CD2 4.06Å; R572-L574 HydrophobicContact CB-CG 3.87Å; R572-V635 PolarHBondContact N-O 3.25Å; R572-V635 PolarHBondContact O-N 3.49Å; R572-T637 HydrophobicContact CB-CG2 4.24Å; R572-T637 HydrophobicContact CG-CG2 4.38Å; R572-T637 PolarHBondContact NH1-OG1 3.46Å; R572-Y676 WeakPolarHBondContact CD-OH 3.47Å; R572-Y676 VanDerWaalsContact CZ-OH 3.26Å; R572-Y676 PolarHBondContact NE-OH 2.75Å; R572-Y676 PolarHBondContact NH1-OH 3.11Å
573	H	97.3	Very high	89.8	Confident	63 Å²	63	52.1 Å²	52.1	29%	0.292	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.2	167.2	-70.7	101.8	0	0	0	108.4	L632 A633 Y687	H573-L632 HydrophobicContact CB-CD1 4.18Å; H573-L632 HydrophobicContact CB-CG 4.46Å; H573-A633 WeakPolarHBondContact CA-O 3.3Å; H573-Y687 AromaticContact CD2-CD1 3.95Å; H573-Y687 AromaticContact NE2-CD1 3.72Å; H573-Y687 AromaticContact NE2-CE1 3.69Å
574	L	98.4	Very high	90.4	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.1	-173.1	-59.5	177.1	0	0	0	111.6	R572 F609 R611 A633 V635 T637 Y676	R572-L574 HydrophobicContact CB-CD1 4.21Å; R572-L574 HydrophobicContact CB-CD2 4.06Å; R572-L574 HydrophobicContact CB-CG 3.87Å; L574-F609 HydrophobicContact CB-CB 3.76Å; L574-F609 HydrophobicContact CD1-CB 3.84Å; L574-F609 HydrophobicContact CG-CB 4.47Å; L574-R611 HydrophobicContact CD2-CB 4.31Å; L574-A633 PolarHBondContact N-O 3.12Å; L574-A633 PolarHBondContact O-N 2.78Å; L574-V635 HydrophobicContact CB-CG2 4.17Å; L574-V635 HydrophobicContact CD1-CB 4.03Å; L574-V635 HydrophobicContact CD1-CG1 4.24Å; L574-V635 HydrophobicContact CD1-CG2 4.16Å; L574-V635 HydrophobicContact CG-CG2 4.43Å; L574-T637 HydrophobicContact CD1-CG2 3.89Å; L574-Y676 HydrophobicContact CD1-CD2 3.52Å; L574-Y676 HydrophobicContact CD1-CE2 4.23Å; L574-Y676 HydrophobicContact CD1-CG 3.87Å; L574-Y676 HydrophobicContact CD2-CD2 4.19Å; L574-Y676 HydrophobicContact CD2-CE2 4.27Å
575	F	98.7	Very high	91.3	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	143.3	-175.5	-65.2	-82.2	0	0	0	112.8	L524 F525 F609 A610 A613 S616 M630 F631 L632 I690	L524-F575 HydrophobicContact CB-CZ 4.01Å; L524-F575 WeakPolarHBondContact O-CZ 3.2Å; F525-F575 HydrophobicContact CB-CE1 4.38Å; F525-F575 HydrophobicContact CD2-CE1 4.42Å; F575-F609 CarbonylContact O-C 3.53Å; F575-F609 WeakPolarHBondContact O-CA 3.32Å; F575-A610 PolarHBondContact N-O 2.96Å; F575-A610 PolarHBondContact O-N 2.61Å; F575-A613 HydrophobicContact CD1-CB 3.81Å; F575-A613 HydrophobicContact CD2-CB 3.89Å; F575-A613 HydrophobicContact CE1-CB 3.78Å; F575-A613 HydrophobicContact CE2-CB 3.87Å; F575-A613 HydrophobicContact CG-CB 3.85Å; F575-A613 HydrophobicContact CZ-CB 3.81Å; F575-S616 VanDerWaalsContact C-OG 3.3Å; F575-S616 WeakPolarHBondContact CB-OG 3.45Å; F575-S616 PolarHBondContact O-OG 3.03Å; F575-S616 VanDerWaalsContact O-OG 3.1Å; F575-M630 HydrophobicContact CB-CG 4.37Å; F575-M630 HydrophobicContact CB-SD 3.85Å; F575-M630 HydrophobicContact CD1-CG 4.22Å; F575-M630 HydrophobicContact CD1-SD 3.49Å; F575-M630 WeakPolarHBondContact CD1-SD 3.43Å; F575-M630 HydrophobicContact CE1-SD 4.36Å; F575-M630 HydrophobicContact CG-SD 3.97Å; F575-F631 CarbonylContact C-O 3.49Å; F575-F631 WeakPolarHBondContact CA-O 3.41Å; F575-L632 HydrophobicContact CD1-CD1 3.9Å; F575-L632 HydrophobicContact CD2-CD1 4.36Å; F575-L632 HydrophobicContact CE1-CB 4.49Å; F575-L632 HydrophobicContact CE1-CD1 3.63Å; F575-L632 HydrophobicContact CE2-CD1 4.11Å; F575-L632 HydrophobicContact CG-CD1 4.26Å; F575-L632 HydrophobicContact CZ-CD1 3.74Å; F575-I690 HydrophobicContact CD1-CD1 4.5Å; F575-I690 HydrophobicContact CE1-CD1 3.97Å
576	H	97.6	Very high	92.2	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.171	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	108.2	172.2	-178.7	92.5	0	0	0	109.4	F591 Y608 F609 M630 F631	H576-F591 HydrophobicContact CB-CE1 3.93Å; H576-F591 HydrophobicContact CB-CZ 4.47Å; H576-F591 AromaticContact CD2-CD1 3.9Å; H576-F591 AromaticContact CD2-CE1 3.61Å; H576-F591 AromaticContact CG-CE1 3.73Å; H576-Y608 PolarHBondContact ND1-O 3.05Å; H576-F609 HydrophobicContact CB-CD1 3.93Å; H576-F609 HydrophobicContact CB-CE1 4.1Å; H576-M630 CarbonylContact O-C 3.52Å; H576-M630 WeakPolarHBondContact O-CA 3.31Å; H576-M630 WeakPolarHBondContact O-CG 3.1Å; H576-F631 HydrophobicContact CB-CB 4.37Å; H576-F631 PolarHBondContact N-O 2.69Å; H576-F631 PolarHBondContact O-N 3.43Å
577	G	96.3	Very high	92.9	Very high	6 Å²	6	39.4 Å²	39.4	6%	0.062	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	138.3	177.6	0	0	0	0	0	110.4	S616 F619	G577-S616 WeakPolarHBondContact CA-O 3.36Å; G577-F619 CarbonylContact C-O 3.49Å
578	T	94.3	Very high	93.6	Very high	15 Å²	15	37.9 Å²	37.9	9%	0.092	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	175.9	-174.6	-156	0	0	0	0	112.3	V582 V583 I586 S620 K621 C629 F631	T578-V582 HydrophobicContact CG2-CG2 4.31Å; T578-V582 WeakPolarHBondContact OG1-CG2 3.43Å; T578-V583 HydrophobicContact CG2-CG2 4.22Å; T578-I586 HydrophobicContact CG2-CD1 4.29Å; T578-S620 WeakPolarHBondContact O-CA 3.5Å; T578-K621 PolarHBondContact O-N 3.33Å; T578-C629 PolarHBondContact N-O 2.8Å; T578-F631 HydrophobicContact CG2-CD2 4.04Å; T578-F631 HydrophobicContact CG2-CE2 3.95Å
579	S	93.1	Very high	94.6	Very high	23 Å²	23	40.1 Å²	40.1	16%	0.161	22%	0.219	C	C	.	.			trans	-95.9	151.4	176.6	64.5	0	0	0	0	111.8	D581 V582	S579-D581 WeakPolarHBondContact CB-OD1 3.38Å; S579-D581 PolarHBondContact O-N 3.05Å; S579-D581 VanDerWaalsContact OG-CG 3.28Å; S579-D581 PolarHBondContact OG-OD1 2.86Å; S579-D581 PolarHBondContact OG-OD2 2.93Å; S579-V582 WeakPolarHBondContact O-CG2 3.31Å; S579-V582 PolarHBondContact O-N 3.36Å
580	A	93.1	Very high	95.3	Very high	56 Å²	56	37.7 Å²	37.7	46%	0.463	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.7	-28	-172.1	0	0	0	0	0	113.9	V582	A580-V582 VanDerWaalsContact C-N 3.34Å; A580-V582 PolarHBondContact O-N 3.09Å
581	D	93.1	Very high	95.6	Very high	122 Å²	122	37.8 Å²	37.8	65%	0.652	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-67.5	-23.5	-179.9	50.3	-66.9	0	0	0	114.6	S579	S579-D581 WeakPolarHBondContact CB-OD1 3.38Å; S579-D581 PolarHBondContact O-N 3.05Å; S579-D581 VanDerWaalsContact OG-CG 3.28Å; S579-D581 PolarHBondContact OG-OD1 2.86Å; S579-D581 PolarHBondContact OG-OD2 2.93Å
582	V	93.3	Very high	95.5	Very high	42 Å²	42	39 Å²	39	26%	0.255	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-103.5	-2.4	180	-62.5	0	0	0	0	114.2	T578 S579 A580 D584 G585 I586	T578-V582 HydrophobicContact CG2-CG2 4.31Å; T578-V582 WeakPolarHBondContact OG1-CG2 3.43Å; S579-V582 WeakPolarHBondContact O-CG2 3.31Å; S579-V582 PolarHBondContact O-N 3.36Å; A580-V582 VanDerWaalsContact C-N 3.34Å; A580-V582 PolarHBondContact O-N 3.09Å; V582-D584 PolarHBondContact O-N 3.49Å; V582-G585 PolarHBondContact O-N 3.02Å; V582-I586 HydrophobicContact CG2-CD1 4.09Å; V582-I586 WeakPolarHBondContact O-CG1 3.37Å; V582-I586 PolarHBondContact O-N 2.84Å
583	V	95.5	Very high	95.2	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-49.4	-175.9	174.5	0	0	0	0	111.8	T578 G585 I586 C587 C629 F631 I689	T578-V583 HydrophobicContact CG2-CG2 4.22Å; V583-G585 VanDerWaalsContact C-N 3.31Å; V583-G585 PolarHBondContact O-N 3.12Å; V583-I586 PolarHBondContact O-N 2.97Å; V583-C587 PolarHBondContact O-N 3.29Å; V583-C587 PolarHBondContact O-SG 2.75Å; V583-C629 HydrophobicContact CG2-CB 4.37Å; V583-C629 WeakPolarHBondContact CG2-SG 3.42Å; V583-F631 HydrophobicContact CG1-CE2 4.43Å; V583-F631 HydrophobicContact CG1-CZ 3.96Å; V583-I689 HydrophobicContact CG1-CD1 3.86Å; V583-I689 HydrophobicContact CG1-CG1 4.41Å; V583-I689 HydrophobicContact CG1-CG2 4.38Å
584	D	95.8	Very high	94.7	Very high	71 Å²	71	44 Å²	44	38%	0.38	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-36.2	-179.3	-68.3	47.5	0	0	0	111.4	F506 R508 V582 C587 K588	F506-D584 HydrophobicContact CZ-CB 4.38Å; R508-D584 IonicContact CZ-OD1 3.23Å; R508-D584 IonicContact CZ-OD2 2.66Å; R508-D584 IonicContact NH1-OD1 3.82Å; R508-D584 PolarHBondContact NH1-OD1 3.25Å; R508-D584 IonicContact NH1-OD2 2.67Å; R508-D584 VanDerWaalsContact NH2-CG 3.33Å; R508-D584 IonicContact NH2-OD1 3.51Å; R508-D584 PolarHBondContact NH2-OD1 3.15Å; R508-D584 IonicContact NH2-OD2 2.71Å; R508-D584 PolarHBondContact NH2-OD2 3.08Å; V582-D584 PolarHBondContact O-N 3.49Å; D584-C587 PolarHBondContact O-N 3.49Å; D584-K588 WeakPolarHBondContact O-CB 3.21Å; D584-K588 PolarHBondContact O-N 3.18Å
585	G	95.8	Very high	94	Very high	36 Å²	36	48 Å²	48	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-46.9	172.4	0	0	0	0	0	112.3	V582 V583 K588 H589	V582-G585 PolarHBondContact O-N 3.02Å; V583-G585 VanDerWaalsContact C-N 3.31Å; V583-G585 PolarHBondContact O-N 3.12Å; G585-K588 PolarHBondContact O-N 2.94Å; G585-H589 WeakPolarHBondContact O-CB 3.35Å; G585-H589 PolarHBondContact O-N 3.43Å
586	I	96.4	Very high	92.6	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-38.6	176.3	-67.7	165.1	0	0	0	111.2	T578 V582 V583 K588 N590 F591 F631 P686	T578-I586 HydrophobicContact CG2-CD1 4.29Å; V582-I586 HydrophobicContact CG2-CD1 4.09Å; V582-I586 WeakPolarHBondContact O-CG1 3.37Å; V582-I586 PolarHBondContact O-N 2.84Å; V583-I586 PolarHBondContact O-N 2.97Å; I586-K588 VanDerWaalsContact C-N 3.33Å; I586-K588 PolarHBondContact O-N 3.39Å; I586-N590 WeakPolarHBondContact O-CA 3.29Å; I586-N590 PolarHBondContact O-N 3.28Å; I586-F591 HydrophobicContact CD1-CD1 4.39Å; I586-F591 HydrophobicContact CD1-CE1 4.46Å; I586-F591 HydrophobicContact CG2-CD1 3.71Å; I586-F591 HydrophobicContact CG2-CE1 3.55Å; I586-F591 HydrophobicContact CG2-CE2 4.4Å; I586-F591 HydrophobicContact CG2-CG 4.2Å; I586-F591 HydrophobicContact CG2-CZ 3.92Å; I586-F631 HydrophobicContact CB-CE2 3.91Å; I586-F631 HydrophobicContact CB-CZ 3.79Å; I586-F631 HydrophobicContact CD1-CD2 4.37Å; I586-F631 HydrophobicContact CD1-CE2 3.77Å; I586-F631 HydrophobicContact CG1-CE2 4.45Å; I586-F631 HydrophobicContact CG2-CD2 4.24Å; I586-F631 HydrophobicContact CG2-CE1 3.99Å; I586-F631 HydrophobicContact CG2-CE2 3.66Å; I586-F631 HydrophobicContact CG2-CZ 3.51Å; I586-P686 HydrophobicContact CG2-CB 4.16Å; I586-P686 HydrophobicContact CG2-CG 4.44Å
587	C	97.2	Very high	90.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-32.3	177.9	-63.5	0	0	0	0	113.2	F506 V542 N544 V583 D584	F506-C587 HydrophobicContact CD1-CB 4.49Å; F506-C587 HydrophobicContact CD2-CB 3.44Å; F506-C587 VanDerWaalsContact CD2-CB 3.44Å; F506-C587 HydrophobicContact CE1-CB 4.46Å; F506-C587 HydrophobicContact CE2-CB 3.39Å; F506-C587 HydrophobicContact CG-CB 4.02Å; F506-C587 HydrophobicContact CZ-CB 3.94Å; V542-C587 HydrophobicContact CG1-CB 4.27Å; N544-C587 PolarHBondContact ND2-O 3.01Å; V583-C587 PolarHBondContact O-N 3.29Å; V583-C587 PolarHBondContact O-SG 2.75Å; D584-C587 PolarHBondContact O-N 3.49Å
588	K	95.9	Very high	89.2	Confident	82 Å²	82	57.9 Å²	57.9	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-86.7	-40.8	179	-172.6	168.5	166.9	138.5	0	113.3	D505 F506 N544 D584 G585 I586	D505-K588 HydrophobicContact CB-CG 4.31Å; D505-K588 VanDerWaalsContact OD2-CE 3.25Å; D505-K588 WeakPolarHBondContact OD2-CE 3.16Å; D505-K588 IonicContact OD2-NZ 3.18Å; D505-K588 PolarHBondContact OD2-NZ 2.74Å; F506-K588 HydrophobicContact CD1-CB 3.82Å; F506-K588 HydrophobicContact CD1-CG 4.3Å; F506-K588 HydrophobicContact CE1-CB 3.74Å; F506-K588 HydrophobicContact CE1-CD 4.49Å; F506-K588 HydrophobicContact CE1-CG 4.38Å; N544-K588 PolarHBondContact ND2-O 3.36Å; D584-K588 WeakPolarHBondContact O-CB 3.21Å; D584-K588 PolarHBondContact O-N 3.18Å; G585-K588 PolarHBondContact O-N 2.94Å; I586-K588 VanDerWaalsContact C-N 3.33Å; I586-K588 PolarHBondContact O-N 3.39Å
589	H	95.4	Very high	87.7	Confident	126 Å²	126	62.4 Å²	62.4	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-119.2	3.9	-167	-58.6	-68.3	0	0	0	114.9	G585	G585-H589 WeakPolarHBondContact O-CB 3.35Å; G585-H589 PolarHBondContact O-N 3.43Å
590	N	96.6	Very high	86.5	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.027	36%	0.358	C	S	.	.			trans	68.6	-179.9	-177.7	-147.5	-10.3	0	0	0	114.4	L547 I586 D592 D681 S684 P686	L547-N590 HydrophobicContact CD1-CB 3.76Å; L547-N590 HydrophobicContact CD2-CB 3.81Å; L547-N590 HydrophobicContact CG-CB 4.42Å; I586-N590 WeakPolarHBondContact O-CA 3.29Å; I586-N590 PolarHBondContact O-N 3.28Å; N590-D592 PolarHBondContact O-N 3.13Å; N590-D592 VanDerWaalsContact O-N 3.15Å; N590-D681 HydrophobicContact CB-CB 4.44Å; N590-D681 PolarHBondContact ND2-O 3.21Å; N590-S684 PolarHBondContact ND2-O 3.26Å; N590-S684 PolarHBondContact OD1-O 3.09Å; N590-P686 WeakPolarHBondContact OD1-CD 3.3Å
591	F	95.2	Very high	86.1	Confident	5 Å²	5	63.7 Å²	63.7	2%	0.022	35%	0.346	C	S	.	.			trans	-77.1	88.8	175.5	-55	-83.4	0	0	0	111.1	H576 I586 P593 S607 F609 F631 A633 P686	H576-F591 HydrophobicContact CB-CE1 3.93Å; H576-F591 HydrophobicContact CB-CZ 4.47Å; H576-F591 AromaticContact CD2-CD1 3.9Å; H576-F591 AromaticContact CD2-CE1 3.61Å; H576-F591 AromaticContact CG-CE1 3.73Å; I586-F591 HydrophobicContact CD1-CD1 4.39Å; I586-F591 HydrophobicContact CD1-CE1 4.46Å; I586-F591 HydrophobicContact CG2-CD1 3.71Å; I586-F591 HydrophobicContact CG2-CE1 3.55Å; I586-F591 HydrophobicContact CG2-CE2 4.4Å; I586-F591 HydrophobicContact CG2-CG 4.2Å; I586-F591 HydrophobicContact CG2-CZ 3.92Å; F591-P593 WeakPolarHBondContact O-CD 3.39Å; F591-S607 PolarHBondContact O-OG 3.15Å; F591-F609 HydrophobicContact CB-CZ 3.99Å; F591-F609 HydrophobicContact CD1-CE1 4.14Å; F591-F609 HydrophobicContact CD1-CZ 4.2Å; F591-F609 AromaticContact CD2-CE1 3.81Å; F591-F609 HydrophobicContact CD2-CE1 3.81Å; F591-F609 AromaticContact CD2-CZ 3.6Å; F591-F609 HydrophobicContact CD2-CZ 3.6Å; F591-F609 HydrophobicContact CE1-CE1 4.1Å; F591-F609 AromaticContact CE2-CE1 3.76Å; F591-F609 HydrophobicContact CE2-CE1 3.76Å; F591-F609 HydrophobicContact CE2-CZ 4.04Å; F591-F609 AromaticContact CG-CE1 3.99Å; F591-F609 HydrophobicContact CG-CE1 3.99Å; F591-F609 AromaticContact CG-CZ 3.68Å; F591-F609 HydrophobicContact CG-CZ 3.68Å; F591-F609 AromaticContact CZ-CE1 3.92Å; F591-F609 HydrophobicContact CZ-CE1 3.92Å; F591-F631 HydrophobicContact CE1-CB 4.14Å; F591-F631 HydrophobicContact CE1-CD2 4Å; F591-F631 HydrophobicContact CE1-CG 4.05Å; F591-F631 HydrophobicContact CZ-CB 3.82Å; F591-F631 HydrophobicContact CZ-CD1 4.23Å; F591-F631 HydrophobicContact CZ-CD2 4.3Å; F591-F631 AromaticContact CZ-CG 3.88Å; F591-F631 HydrophobicContact CZ-CG 3.88Å; F591-A633 HydrophobicContact CE2-CB 3.73Å; F591-A633 HydrophobicContact CZ-CB 3.91Å; F591-P686 HydrophobicContact CE2-CB 3.68Å; F591-P686 HydrophobicContact CE2-CG 4.29Å; F591-P686 HydrophobicContact CZ-CB 3.76Å
592	D	91.2	Very high	86	Confident	49 Å²	49	62.9 Å²	62.9	26%	0.262	34%	0.34	S	S	.	.			trans	-66.8	111.8	-178.4	-170.1	-14.3	0	0	0	113.2	N590 R594 V595	N590-D592 PolarHBondContact O-N 3.13Å; N590-D592 VanDerWaalsContact O-N 3.15Å; D592-R594 PolarHBondContact O-N 3.47Å; D592-R594 VanDerWaalsContact O-N 3.14Å; D592-R594 WeakPolarHBondContact OD1-CB 3.42Å; D592-R594 VanDerWaalsContact OD1-CG 3.31Å; D592-R594 WeakPolarHBondContact OD1-CG 3.46Å; D592-R594 IonicContact OD1-CZ 2.67Å; D592-R594 PolarHBondContact OD1-N 2.61Å; D592-R594 IonicContact OD1-NE 2.74Å; D592-R594 PolarHBondContact OD1-NE 2.74Å; D592-R594 IonicContact OD1-NH2 2.84Å; D592-R594 IonicContact OD2-CZ 2.78Å; D592-R594 VanDerWaalsContact OD2-CZ 3.32Å; D592-R594 IonicContact OD2-NE 3.23Å; D592-R594 PolarHBondContact OD2-NE 3.44Å; D592-R594 VanDerWaalsContact OD2-NE 3.13Å; D592-R594 IonicContact OD2-NH2 3.87Å; D592-R594 PolarHBondContact OD2-NH2 2.88Å; D592-V595 HydrophobicContact CB-CG2 3.93Å; D592-V595 PolarHBondContact O-N 2.96Å
593	P	89.3	Confident	86.1	Confident	13 Å²	13	62.9 Å²	62.9	8%	0.084	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-63.6	-20.8	-179.7	-21.1	35.3	0	0	0	113.4	F591 V595 C596 S607	F591-P593 WeakPolarHBondContact O-CD 3.39Å; P593-V595 VanDerWaalsContact C-N 3.27Å; P593-V595 PolarHBondContact O-N 3.11Å; P593-C596 WeakPolarHBondContact O-CB 3.43Å; P593-C596 PolarHBondContact O-N 3.01Å; P593-C596 PolarHBondContact O-SG 2.69Å; P593-S607 WeakPolarHBondContact CA-OG 3.29Å
594	R	87.4	Confident	86	Confident	207 Å²	207	62.8 Å²	62.8	78%	0.781	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-75.7	-14.6	-178.9	-53.9	169.1	-64.4	-179.2	5.7	112.8	D592 C596	D592-R594 PolarHBondContact O-N 3.47Å; D592-R594 VanDerWaalsContact O-N 3.14Å; D592-R594 WeakPolarHBondContact OD1-CB 3.42Å; D592-R594 VanDerWaalsContact OD1-CG 3.31Å; D592-R594 WeakPolarHBondContact OD1-CG 3.46Å; D592-R594 IonicContact OD1-CZ 2.67Å; D592-R594 PolarHBondContact OD1-N 2.61Å; D592-R594 IonicContact OD1-NE 2.74Å; D592-R594 PolarHBondContact OD1-NE 2.74Å; D592-R594 IonicContact OD1-NH2 2.84Å; D592-R594 IonicContact OD2-CZ 2.78Å; D592-R594 VanDerWaalsContact OD2-CZ 3.32Å; D592-R594 IonicContact OD2-NE 3.23Å; D592-R594 PolarHBondContact OD2-NE 3.44Å; D592-R594 VanDerWaalsContact OD2-NE 3.13Å; D592-R594 IonicContact OD2-NH2 3.87Å; D592-R594 PolarHBondContact OD2-NH2 2.88Å; R594-C596 VanDerWaalsContact C-N 3.3Å
595	V	83.1	Confident	86	Confident	88 Å²	88	62.1 Å²	62.1	53%	0.533	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-94.2	12.8	178.2	-169.2	0	0	0	0	111.4	D592 P593	D592-V595 HydrophobicContact CB-CG2 3.93Å; D592-V595 PolarHBondContact O-N 2.96Å; P593-V595 VanDerWaalsContact C-N 3.27Å; P593-V595 PolarHBondContact O-N 3.11Å
596	C	70.1	Confident	85.9	Confident	44 Å²	44	60.6 Å²	60.6	30%	0.297	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	163.4	170	67.8	0	0	0	0	112.2	P593 R594 T601 Q605 G606	P593-C596 WeakPolarHBondContact O-CB 3.43Å; P593-C596 PolarHBondContact O-N 3.01Å; P593-C596 PolarHBondContact O-SG 2.69Å; R594-C596 VanDerWaalsContact C-N 3.3Å; C596-T601 HydrophobicContact CB-CG2 4.24Å; C596-Q605 VanDerWaalsContact SG-C 3.51Å; C596-Q605 VanDerWaalsContact SG-CA 3.57Å; C596-G606 WeakPolarHBondContact CB-O 3.44Å
597	G	60.5	Low	85.9	Confident	55 Å²	55	60.2 Å²	60.2	57%	0.567	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	-15.9	-179.4	0	0	0	0	0	115.6	H599	G597-H599 PolarHBondContact O-N 2.75Å
598	K	61.7	Low	85.8	Confident	156 Å²	156	62.8 Å²	62.8	68%	0.678	32%	0.323	S	S	*	.	S	Bend	trans	-62.4	-23.3	165	-71.5	-173.7	178.2	-179.6	0	112.7
599	H	61.9	Low	85.9	Confident	110 Å²	110	59 Å²	59	51%	0.509	31%	0.307	S	S	.	.	S	Bend	trans	-133.7	156.9	174.2	-57.5	-47.1	0	0	0	109.1	G597 T601 F619	G597-H599 PolarHBondContact O-N 2.75Å; H599-T601 PolarHBondContact O-N 3.39Å; H599-F619 HydrophobicContact CB-CD1 4.11Å; H599-F619 HydrophobicContact CB-CE1 3.98Å; H599-F619 AromaticContact CD2-CD1 3.61Å; H599-F619 AromaticContact CG-CD1 3.58Å; H599-F619 AromaticContact CG-CE1 3.91Å; H599-F619 AromaticContact ND1-CD1 3.84Å; H599-F619 AromaticContact NE2-CD1 3.91Å
600	A	67.9	Low	86	Confident	72 Å²	72	53.1 Å²	53.1	60%	0.595	28%	0.28	S	S	*	.			trans	-59.8	122	-168.2	0	0	0	0	0	113.2	M602	A600-M602 HydrophobicContact CB-CG 4.03Å; A600-M602 PolarHBondContact O-N 2.71Å
601	T	85	Confident	86	Confident	34 Å²	34	57.7 Å²	57.7	21%	0.209	30%	0.297	C	S	.	.			trans	-81.6	34.1	-175.1	49.5	0	0	0	0	113.6	C596 H599 F603 G604 Q605 Y608 S645	C596-T601 HydrophobicContact CB-CG2 4.24Å; H599-T601 PolarHBondContact O-N 3.39Å; T601-F603 PolarHBondContact O-N 3.24Å; T601-G604 WeakPolarHBondContact CB-O 3.22Å; T601-G604 PolarHBondContact O-N 3.06Å; T601-Q605 HydrophobicContact CG2-CG 4.38Å; T601-Y608 VanDerWaalsContact CA-OH 3.31Å; T601-Y608 WeakPolarHBondContact CA-OH 3.46Å; T601-Y608 PolarHBondContact O-OH 2.89Å; T601-S645 WeakPolarHBondContact O-CA 3.44Å; T601-S645 WeakPolarHBondContact O-CB 3.46Å
602	M	90.8	Very high	86.1	Confident	106 Å²	106	63.1 Å²	63.1	52%	0.522	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.3	-166	-62	-167.4	-59	0	0	115.2	A600 Y608 N644 S645	A600-M602 HydrophobicContact CB-CG 4.03Å; A600-M602 PolarHBondContact O-N 2.71Å; M602-Y608 PolarHBondContact N-OH 2.97Å; M602-N644 CarbonylContact O-C 3.43Å; M602-N644 VanDerWaalsContact O-C 3.32Å; M602-N644 WeakPolarHBondContact O-CA 3.44Å; M602-S645 PolarHBondContact O-N 3.32Å; M602-S645 VanDerWaalsContact O-N 3.07Å
603	F	94.5	Very high	86.5	Confident	42 Å²	42	60.8 Å²	60.8	18%	0.184	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	14.6	-177.4	-49.2	-64.4	0	0	0	113	T601 Y608 G643 N644 C666 D668 I675 V677	T601-F603 PolarHBondContact O-N 3.24Å; F603-Y608 HydrophobicContact CD2-CE1 4.26Å; F603-Y608 PolarHBondContact N-OH 3.11Å; F603-G643 WeakPolarHBondContact O-CA 3.41Å; F603-N644 CarbonylContact C-O 3.56Å; F603-C666 WeakPolarHBondContact O-CB 3.42Å; F603-D668 HydrophobicContact CD1-CB 4.46Å; F603-D668 HydrophobicContact CD2-CB 3.99Å; F603-D668 HydrophobicContact CE1-CB 4.08Å; F603-D668 HydrophobicContact CE2-CB 3.57Å; F603-D668 HydrophobicContact CG-CB 4.42Å; F603-D668 HydrophobicContact CZ-CB 3.62Å; F603-I675 HydrophobicContact CD2-CD1 4.41Å; F603-I675 HydrophobicContact CD2-CG2 4.45Å; F603-I675 HydrophobicContact CE2-CD1 3.97Å; F603-V677 HydrophobicContact CB-CG2 3.85Å
604	G	94.8	Very high	86.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.324	C	S	.	.			trans	136.4	162.6	176.4	0	0	0	0	0	114.1	T601 G606 Y608 N644 M647	T601-G604 WeakPolarHBondContact CB-O 3.22Å; T601-G604 PolarHBondContact O-N 3.06Å; G604-G606 PolarHBondContact O-N 3.12Å; G604-Y608 PolarHBondContact N-OH 2.76Å; G604-Y608 VanDerWaalsContact N-OH 3.1Å; G604-Y608 VanDerWaalsContact O-CE2 3.29Å; G604-Y608 WeakPolarHBondContact O-CE2 3.46Å; G604-Y608 PolarHBondContact O-OH 2.99Å; G604-N644 WeakPolarHBondContact CA-O 3.29Å; G604-N644 PolarHBondContact N-O 2.96Å; G604-M647 CarbonylContact C-O 3.52Å; G604-M647 WeakPolarHBondContact CA-O 3.4Å
605	Q	94.7	Very high	87.3	Confident	58 Å²	58	59.5 Å²	59.5	27%	0.271	30%	0.302	S	S	.	.	S	Bend	trans	-90.6	82.3	175.2	-66.7	169.8	30.6	0	0	108.8	C596 T601 S645 M647 R648 F679	C596-Q605 VanDerWaalsContact SG-C 3.51Å; C596-Q605 VanDerWaalsContact SG-CA 3.57Å; T601-Q605 HydrophobicContact CG2-CG 4.38Å; Q605-S645 PolarHBondContact NE2-O 3.45Å; Q605-M647 PolarHBondContact N-O 3.15Å; Q605-R648 HydrophobicContact CB-CG 4.19Å; Q605-R648 VanDerWaalsContact OE1-CG 3.28Å; Q605-F679 WeakPolarHBondContact O-CD1 3.26Å
606	G	94.6	Very high	87.9	Confident	3 Å²	3	55.5 Å²	55.5	3%	0.031	28%	0.278	C	S	.	.	S	Bend	trans	-163.3	-167.9	179.9	0	0	0	0	0	113.4	C596 G604 Y608	C596-G606 WeakPolarHBondContact CB-O 3.44Å; G604-G606 PolarHBondContact O-N 3.12Å; G606-Y608 VanDerWaalsContact O-CD2 3.22Å; G606-Y608 WeakPolarHBondContact O-CD2 3.42Å; G606-Y608 WeakPolarHBondContact O-CE2 3.41Å
607	S	95.1	Very high	89.2	Confident	10 Å²	10	54.9 Å²	54.9	7%	0.07	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.2	-179.7	-69.3	0	0	0	0	111.5	F591 P593 V677 I678	F591-S607 PolarHBondContact O-OG 3.15Å; P593-S607 WeakPolarHBondContact CA-OG 3.29Å; S607-V677 WeakPolarHBondContact O-CA 3.44Å; S607-I678 PolarHBondContact N-O 2.93Å; S607-I678 PolarHBondContact O-N 2.89Å
608	Y	95.8	Very high	90.8	Very high	53 Å²	53	57.3 Å²	57.3	21%	0.208	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.5	-175.8	-78.8	-113.4	0	0	0	112	H576 T601 M602 F603 G604 G606 I675 V677	H576-Y608 PolarHBondContact ND1-O 3.05Å; T601-Y608 VanDerWaalsContact CA-OH 3.31Å; T601-Y608 WeakPolarHBondContact CA-OH 3.46Å; T601-Y608 PolarHBondContact O-OH 2.89Å; M602-Y608 PolarHBondContact N-OH 2.97Å; F603-Y608 HydrophobicContact CD2-CE1 4.26Å; F603-Y608 PolarHBondContact N-OH 3.11Å; G604-Y608 PolarHBondContact N-OH 2.76Å; G604-Y608 VanDerWaalsContact N-OH 3.1Å; G604-Y608 VanDerWaalsContact O-CE2 3.29Å; G604-Y608 WeakPolarHBondContact O-CE2 3.46Å; G604-Y608 PolarHBondContact O-OH 2.99Å; G606-Y608 VanDerWaalsContact O-CD2 3.22Å; G606-Y608 WeakPolarHBondContact O-CD2 3.42Å; G606-Y608 WeakPolarHBondContact O-CE2 3.41Å; Y608-I675 HydrophobicContact CD1-CG2 3.7Å; Y608-I675 HydrophobicContact CE1-CG2 4.18Å; Y608-V677 HydrophobicContact CD1-CG2 3.87Å; Y608-V677 HydrophobicContact CD2-CG1 4.31Å; Y608-V677 HydrophobicContact CD2-CG2 4.24Å; Y608-V677 HydrophobicContact CE1-CG2 3.49Å; Y608-V677 VanDerWaalsContact CE1-CG2 3.49Å; Y608-V677 HydrophobicContact CE2-CG1 3.87Å; Y608-V677 HydrophobicContact CE2-CG2 3.88Å; Y608-V677 HydrophobicContact CG-CG2 4.21Å; Y608-V677 VanDerWaalsContact CZ-CG2 3.46Å
609	F	97.6	Very high	92.3	Very high	2 Å²	2	53 Å²	53	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.6	175.8	-59.7	-89	0	0	0	110.6	L574 F575 H576 F591 A633 V635 I675 Y676 I678	L574-F609 HydrophobicContact CB-CB 3.76Å; L574-F609 HydrophobicContact CD1-CB 3.84Å; L574-F609 HydrophobicContact CG-CB 4.47Å; F575-F609 CarbonylContact O-C 3.53Å; F575-F609 WeakPolarHBondContact O-CA 3.32Å; H576-F609 HydrophobicContact CB-CD1 3.93Å; H576-F609 HydrophobicContact CB-CE1 4.1Å; F591-F609 HydrophobicContact CB-CZ 3.99Å; F591-F609 HydrophobicContact CD1-CE1 4.14Å; F591-F609 HydrophobicContact CD1-CZ 4.2Å; F591-F609 AromaticContact CD2-CE1 3.81Å; F591-F609 HydrophobicContact CD2-CE1 3.81Å; F591-F609 AromaticContact CD2-CZ 3.6Å; F591-F609 HydrophobicContact CD2-CZ 3.6Å; F591-F609 HydrophobicContact CE1-CE1 4.1Å; F591-F609 AromaticContact CE2-CE1 3.76Å; F591-F609 HydrophobicContact CE2-CE1 3.76Å; F591-F609 HydrophobicContact CE2-CZ 4.04Å; F591-F609 AromaticContact CG-CE1 3.99Å; F591-F609 HydrophobicContact CG-CE1 3.99Å; F591-F609 AromaticContact CG-CZ 3.68Å; F591-F609 HydrophobicContact CG-CZ 3.68Å; F591-F609 AromaticContact CZ-CE1 3.92Å; F591-F609 HydrophobicContact CZ-CE1 3.92Å; F609-A633 HydrophobicContact CD1-CB 3.96Å; F609-A633 HydrophobicContact CE1-CB 3.63Å; F609-V635 HydrophobicContact CB-CG2 4.49Å; F609-V635 HydrophobicContact CD1-CG2 3.87Å; F609-V635 HydrophobicContact CD2-CG1 4.38Å; F609-V635 HydrophobicContact CD2-CG2 4.26Å; F609-V635 HydrophobicContact CE1-CG2 4.1Å; F609-V635 HydrophobicContact CE2-CG2 4.46Å; F609-V635 HydrophobicContact CG-CG2 3.95Å; F609-V635 HydrophobicContact CZ-CG2 4.38Å; F609-I675 CarbonylContact O-C 3.54Å; F609-I675 WeakPolarHBondContact O-CA 3.34Å; F609-Y676 PolarHBondContact N-O 3.35Å; F609-Y676 PolarHBondContact O-N 2.9Å; F609-I678 HydrophobicContact CD2-CB 4.36Å; F609-I678 HydrophobicContact CD2-CG1 3.73Å; F609-I678 HydrophobicContact CE2-CB 4.01Å; F609-I678 HydrophobicContact CE2-CG1 3.78Å
610	A	97.7	Very high	93.8	Very high	3 Å²	3	48 Å²	48	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.4	-177	0	0	0	0	0	112.8	F575 R612 Y615 S616 Q674	F575-A610 PolarHBondContact N-O 2.96Å; F575-A610 PolarHBondContact O-N 2.61Å; A610-R612 PolarHBondContact O-N 2.94Å; A610-Y615 HydrophobicContact CB-CD1 3.74Å; A610-Y615 HydrophobicContact CB-CG 4.31Å; A610-S616 WeakPolarHBondContact CB-OG 3.38Å; A610-Q674 CarbonylContact C-O 3.55Å; A610-Q674 WeakPolarHBondContact CA-O 3.42Å
611	R	97.4	Very high	95.1	Very high	102 Å²	102	51.5 Å²	51.5	39%	0.385	23%	0.232	S	C	.	.	S	Bend	trans	-68.8	-21.6	174.2	-168.1	176.1	70.7	159.1	-0.6	113	L574 D672 P673 Q674	L574-R611 HydrophobicContact CD2-CB 4.31Å; R611-D672 IonicContact CZ-OD1 3.06Å; R611-D672 VanDerWaalsContact CZ-OD1 3.23Å; R611-D672 IonicContact CZ-OD2 2.66Å; R611-D672 IonicContact NH1-OD1 2.66Å; R611-D672 PolarHBondContact NH1-OD1 2.82Å; R611-D672 IonicContact NH1-OD2 3.32Å; R611-D672 VanDerWaalsContact NH2-CG 3.26Å; R611-D672 IonicContact NH2-OD1 2.76Å; R611-D672 PolarHBondContact NH2-OD1 3.5Å; R611-D672 VanDerWaalsContact NH2-OD1 3.08Å; R611-D672 IonicContact NH2-OD2 2.89Å; R611-D672 PolarHBondContact NH2-OD2 2.66Å; R611-P673 PolarHBondContact NE-O 2.93Å; R611-Q674 PolarHBondContact N-O 3.32Å; R611-Q674 VanDerWaalsContact NH2-CD 3.31Å
612	R	97.7	Very high	95.6	Very high	119 Å²	119	55.7 Å²	55.7	45%	0.449	24%	0.243	S	C	.	.	S	Bend	trans	-121.7	120.2	-175.4	-60.1	-174.2	69.7	-177.6	-0.5	110.1	T528 A610 F614 Y615 S616	T528-R612 HydrophobicContact CG2-CB 3.87Å; T528-R612 HydrophobicContact CG2-CG 3.95Å; A610-R612 PolarHBondContact O-N 2.94Å; R612-F614 PolarHBondContact O-N 3.34Å; R612-Y615 WeakPolarHBondContact O-CB 3.48Å; R612-Y615 PolarHBondContact O-N 3.09Å; R612-S616 PolarHBondContact O-N 2.97Å
613	A	98.1	Very high	95.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-54.3	-35.4	176.2	0	0	0	0	0	112.7	F525 T528 V529 F575 Y615 S616 H617 M630	F525-A613 HydrophobicContact CD2-CB 3.72Å; F525-A613 HydrophobicContact CE2-CB 4.25Å; F525-A613 HydrophobicContact CG-CB 4.37Å; T528-A613 PolarHBondContact OG1-N 3.21Å; T528-A613 VanDerWaalsContact OG1-N 3.08Å; V529-A613 HydrophobicContact CG2-CB 3.83Å; F575-A613 HydrophobicContact CD1-CB 3.81Å; F575-A613 HydrophobicContact CD2-CB 3.89Å; F575-A613 HydrophobicContact CE1-CB 3.78Å; F575-A613 HydrophobicContact CE2-CB 3.87Å; F575-A613 HydrophobicContact CG-CB 3.85Å; F575-A613 HydrophobicContact CZ-CB 3.81Å; A613-Y615 VanDerWaalsContact C-N 3.27Å; A613-Y615 PolarHBondContact O-N 2.85Å; A613-S616 CarbonylContact O-C 3.59Å; A613-S616 WeakPolarHBondContact O-CB 3.4Å; A613-S616 PolarHBondContact O-N 3.09Å; A613-S616 VanDerWaalsContact O-N 3.12Å; A613-H617 PolarHBondContact O-N 3.49Å; A613-M630 HydrophobicContact CB-CE 4.48Å; A613-M630 HydrophobicContact CB-SD 3.91Å; A613-M630 WeakPolarHBondContact O-CE 3.26Å
614	F	96.9	Very high	95.7	Very high	108 Å²	108	57 Å²	57	47%	0.474	27%	0.265	S	S	.	.	H	α-helix	trans	-56.2	-36.9	173.9	-179.9	-99.7	0	0	0	113.8	T528 V529 R612 H617	T528-F614 PolarHBondContact OG1-N 3.17Å; T528-F614 VanDerWaalsContact OG1-N 3.15Å; V529-F614 HydrophobicContact CG2-CB 4.36Å; R612-F614 PolarHBondContact O-N 3.34Å; F614-H617 WeakPolarHBondContact O-CB 3.38Å; F614-H617 PolarHBondContact O-N 2.89Å
615	Y	96.5	Very high	95.6	Very high	84 Å²	84	66 Å²	66	33%	0.329	30%	0.304	S	S	.	.	H	α-helix	trans	-70	-43.1	176.3	-172.9	-89.5	0	0	0	110.9	A610 R612 A613 H617 N618 F619 I675	A610-Y615 HydrophobicContact CB-CD1 3.74Å; A610-Y615 HydrophobicContact CB-CG 4.31Å; R612-Y615 WeakPolarHBondContact O-CB 3.48Å; R612-Y615 PolarHBondContact O-N 3.09Å; A613-Y615 VanDerWaalsContact C-N 3.27Å; A613-Y615 PolarHBondContact O-N 2.85Å; Y615-H617 VanDerWaalsContact C-N 3.27Å; Y615-H617 PolarHBondContact O-N 2.82Å; Y615-N618 PolarHBondContact O-N 2.9Å; Y615-F619 AromaticContact CD1-CE2 3.91Å; Y615-F619 HydrophobicContact CD1-CE2 3.91Å; Y615-F619 HydrophobicContact CE1-CD2 4.4Å; Y615-F619 AromaticContact CE1-CE2 3.47Å; Y615-F619 HydrophobicContact CE1-CE2 3.47Å; Y615-F619 VanDerWaalsContact CE1-CE2 3.47Å; Y615-F619 HydrophobicContact CE1-CZ 4.12Å; Y615-F619 AromaticContact CZ-CE2 3.95Å; Y615-F619 WeakPolarHBondContact O-CD2 3.15Å; Y615-I675 HydrophobicContact CD1-CG1 4.48Å; Y615-I675 HydrophobicContact CE1-CD1 3.75Å; Y615-I675 HydrophobicContact CE1-CG1 4.02Å; Y615-I675 HydrophobicContact CE2-CD1 4.18Å; Y615-I675 WeakPolarHBondContact OH-CD1 3.33Å
616	S	96.8	Very high	95.6	Very high	4 Å²	4	64 Å²	64	3%	0.028	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-28.4	174.9	-63.5	0	0	0	0	113.5	F575 G577 A610 R612 A613 N618 F619 S620	F575-S616 VanDerWaalsContact C-OG 3.3Å; F575-S616 WeakPolarHBondContact CB-OG 3.45Å; F575-S616 PolarHBondContact O-OG 3.03Å; F575-S616 VanDerWaalsContact O-OG 3.1Å; G577-S616 WeakPolarHBondContact CA-O 3.36Å; A610-S616 WeakPolarHBondContact CB-OG 3.38Å; R612-S616 PolarHBondContact O-N 2.97Å; A613-S616 CarbonylContact O-C 3.59Å; A613-S616 WeakPolarHBondContact O-CB 3.4Å; A613-S616 PolarHBondContact O-N 3.09Å; A613-S616 VanDerWaalsContact O-N 3.12Å; S616-N618 PolarHBondContact O-N 3.33Å; S616-F619 PolarHBondContact O-N 2.99Å; S616-S620 PolarHBondContact O-N 3.44Å
617	H	96.8	Very high	95.7	Very high	31 Å²	31	65.5 Å²	65.5	14%	0.144	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-36.3	178.5	174.8	28.9	0	0	0	112.3	F534 A613 F614 Y615 F619 S620 H628 M630 Y692	F534-H617 AromaticContact CE1-CE1 3.81Å; F534-H617 AromaticContact CE1-NE2 3.64Å; F534-H617 AromaticContact CE2-NE2 3.77Å; F534-H617 AromaticContact CZ-CE1 3.77Å; F534-H617 AromaticContact CZ-NE2 3.12Å; F534-H617 WeakPolarHBondContact CZ-NE2 3.39Å; A613-H617 PolarHBondContact O-N 3.49Å; F614-H617 WeakPolarHBondContact O-CB 3.38Å; F614-H617 PolarHBondContact O-N 2.89Å; Y615-H617 VanDerWaalsContact C-N 3.27Å; Y615-H617 PolarHBondContact O-N 2.82Å; H617-F619 PolarHBondContact O-N 2.93Å; H617-F619 VanDerWaalsContact O-N 3.13Å; H617-S620 WeakPolarHBondContact O-CB 3.39Å; H617-S620 PolarHBondContact O-N 3.37Å; H617-H628 AromaticContact CE1-CE1 3.56Å; H617-H628 AromaticContact CE1-ND1 3.83Å; H617-H628 AromaticContact CE1-NE2 3.92Å; H617-H628 AromaticContact ND1-ND1 3.87Å; H617-M630 HydrophobicContact CB-CE 4.19Å; H617-Y692 WeakPolarHBondContact CB-OH 3.41Å; H617-Y692 AromaticContact ND1-CE2 3.97Å; H617-Y692 AromaticContact ND1-CZ 3.91Å; H617-Y692 PolarHBondContact ND1-OH 3.3Å
618	N	94.1	Very high	95.9	Very high	106 Å²	106	65.8 Å²	65.8	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.3	177.2	-59.7	-27.6	0	0	0	113.5	Y615 S616	Y615-N618 PolarHBondContact O-N 2.9Å; S616-N618 PolarHBondContact O-N 3.33Å
619	F	92.8	Very high	96	Very high	65 Å²	65	63.4 Å²	63.4	29%	0.285	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-6	177.1	-54.5	-82.4	0	0	0	112.4	G577 H599 Y615 S616 H617 K621	G577-F619 CarbonylContact C-O 3.49Å; H599-F619 HydrophobicContact CB-CD1 4.11Å; H599-F619 HydrophobicContact CB-CE1 3.98Å; H599-F619 AromaticContact CD2-CD1 3.61Å; H599-F619 AromaticContact CG-CD1 3.58Å; H599-F619 AromaticContact CG-CE1 3.91Å; H599-F619 AromaticContact ND1-CD1 3.84Å; H599-F619 AromaticContact NE2-CD1 3.91Å; Y615-F619 AromaticContact CD1-CE2 3.91Å; Y615-F619 HydrophobicContact CD1-CE2 3.91Å; Y615-F619 HydrophobicContact CE1-CD2 4.4Å; Y615-F619 AromaticContact CE1-CE2 3.47Å; Y615-F619 HydrophobicContact CE1-CE2 3.47Å; Y615-F619 VanDerWaalsContact CE1-CE2 3.47Å; Y615-F619 HydrophobicContact CE1-CZ 4.12Å; Y615-F619 AromaticContact CZ-CE2 3.95Å; Y615-F619 WeakPolarHBondContact O-CD2 3.15Å; S616-F619 PolarHBondContact O-N 2.99Å; H617-F619 PolarHBondContact O-N 2.93Å; H617-F619 VanDerWaalsContact O-N 3.13Å; F619-K621 PolarHBondContact O-N 2.66Å
620	S	94.8	Very high	96	Very high	5 Å²	5	63.3 Å²	63.3	4%	0.035	30%	0.299	C	S	.	.	S	Bend	trans	-83.5	95.1	175.7	-172	0	0	0	0	110.3	T578 S616 H617 R622 H628 C629	T578-S620 WeakPolarHBondContact O-CA 3.5Å; S616-S620 PolarHBondContact O-N 3.44Å; H617-S620 WeakPolarHBondContact O-CB 3.39Å; H617-S620 PolarHBondContact O-N 3.37Å; S620-R622 PolarHBondContact O-N 2.79Å; S620-H628 PolarHBondContact O-CE1 3.33Å; S620-H628 PolarHBondContact O-ND1 2.81Å; S620-H628 WeakPolarHBondContact OG-CB 3.24Å; S620-C629 WeakPolarHBondContact CB-O 3.34Å; S620-C629 VanDerWaalsContact OG-C 3.29Å; S620-C629 PolarHBondContact OG-N 2.72Å; S620-C629 PolarHBondContact OG-O 3.23Å
621	K	93.8	Very high	96	Very high	147 Å²	147	63.2 Å²	63.2	64%	0.639	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-65.1	124.3	-177.6	-171.6	178.2	179.3	-179.7	0	111	T578 F619 S623	T578-K621 PolarHBondContact O-N 3.33Å; F619-K621 PolarHBondContact O-N 2.66Å; K621-S623 PolarHBondContact O-N 2.67Å
622	R	95.7	Very high	96.1	Very high	121 Å²	121	58.4 Å²	58.4	46%	0.457	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-60.8	125.7	173	-158.9	173.9	-165.4	169.7	6.9	109.6	S620 G626 H628 E694	S620-R622 PolarHBondContact O-N 2.79Å; R622-G626 WeakPolarHBondContact CG-O 3.43Å; R622-G626 PolarHBondContact NE-O 3.13Å; R622-G626 VanDerWaalsContact NE-O 3.11Å; R622-H628 WeakPolarHBondContact CG-NE2 3.37Å; R622-E694 IonicContact CZ-OE2 2.82Å; R622-E694 IonicContact NH1-OE2 3.12Å; R622-E694 PolarHBondContact NH1-OE2 2.73Å; R622-E694 VanDerWaalsContact NH1-OE2 3.08Å; R622-E694 IonicContact NH2-OE2 2.73Å; R622-E694 PolarHBondContact NH2-OE2 2.64Å
623	S	95.4	Very high	96.1	Very high	31 Å²	31	52.8 Å²	52.8	22%	0.217	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-75.1	163.9	172.9	66.1	0	0	0	0	111.4	K621 K625 G626 V627	K621-S623 PolarHBondContact O-N 2.67Å; S623-K625 PolarHBondContact O-N 2.81Å; S623-G626 PolarHBondContact O-N 2.97Å; S623-V627 VanDerWaalsContact CB-O 3.31Å; S623-V627 WeakPolarHBondContact CB-O 3.48Å; S623-V627 PolarHBondContact N-O 3.31Å; S623-V627 PolarHBondContact OG-N 3.13Å; S623-V627 PolarHBondContact OG-O 3.34Å
624	P	93.6	Very high	96.1	Very high	145 Å²	145	54 Å²	54	94%	0.942	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.7	176.2	-26.3	35.8	0	0	0	114.7	G626	P624-G626 VanDerWaalsContact C-N 3.28Å
625	K	92.9	Very high	96.1	Very high	189 Å²	189	48.9 Å²	48.9	82%	0.822	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	9.6	173.9	-63.7	-172	177.4	-175.6	0	113.3	S623 V627	S623-K625 PolarHBondContact O-N 2.81Å; K625-V627 HydrophobicContact CB-CG2 4.48Å; K625-V627 PolarHBondContact O-N 2.81Å
626	G	94.4	Very high	96.2	Very high	17 Å²	17	45 Å²	45	18%	0.175	23%	0.226	C	C	.	.	S	Bend	trans	81.5	-10	-178.6	0	0	0	0	0	115.4	R622 S623 P624	R622-G626 WeakPolarHBondContact CG-O 3.43Å; R622-G626 PolarHBondContact NE-O 3.13Å; R622-G626 VanDerWaalsContact NE-O 3.11Å; S623-G626 PolarHBondContact O-N 2.97Å; P624-G626 VanDerWaalsContact C-N 3.28Å
627	V	97.1	Very high	96.1	Very high	33 Å²	33	44.8 Å²	44.8	20%	0.2	22%	0.224	C	C	.	.			trans	-82	136.9	-174.1	-178.1	0	0	0	0	112.1	I537 S623 K625 H691	I537-V627 HydrophobicContact CD1-CB 4.25Å; I537-V627 HydrophobicContact CD1-CG1 3.75Å; I537-V627 HydrophobicContact CD1-CG2 3.6Å; S623-V627 VanDerWaalsContact CB-O 3.31Å; S623-V627 WeakPolarHBondContact CB-O 3.48Å; S623-V627 PolarHBondContact N-O 3.31Å; S623-V627 PolarHBondContact OG-N 3.13Å; S623-V627 PolarHBondContact OG-O 3.34Å; K625-V627 HydrophobicContact CB-CG2 4.48Å; K625-V627 PolarHBondContact O-N 2.81Å; V627-H691 HydrophobicContact CG1-CB 4.28Å
628	H	98	Very high	96	Very high	17 Å²	17	43.8 Å²	43.8	8%	0.079	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	160.9	171.7	-70.7	-93.3	0	0	0	111.7	H617 S620 R622 Y692	H617-H628 AromaticContact CE1-CE1 3.56Å; H617-H628 AromaticContact CE1-ND1 3.83Å; H617-H628 AromaticContact CE1-NE2 3.92Å; H617-H628 AromaticContact ND1-ND1 3.87Å; S620-H628 PolarHBondContact O-CE1 3.33Å; S620-H628 PolarHBondContact O-ND1 2.81Å; S620-H628 WeakPolarHBondContact OG-CB 3.24Å; R622-H628 WeakPolarHBondContact CG-NE2 3.37Å; H628-Y692 HydrophobicContact CB-CD1 4Å; H628-Y692 HydrophobicContact CB-CD2 3.98Å; H628-Y692 HydrophobicContact CB-CE1 3.63Å; H628-Y692 HydrophobicContact CB-CE2 3.63Å; H628-Y692 HydrophobicContact CB-CG 4.17Å; H628-Y692 VanDerWaalsContact CB-CZ 3.46Å; H628-Y692 AromaticContact CG-CE2 4Å; H628-Y692 PolarHBondContact N-O 2.85Å; H628-Y692 PolarHBondContact O-N 2.87Å
629	C	97.2	Very high	95.9	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.1	179.1	-165.5	0	0	0	0	112.6	T578 V583 S620 I689	T578-C629 PolarHBondContact N-O 2.8Å; V583-C629 HydrophobicContact CG2-CB 4.37Å; V583-C629 WeakPolarHBondContact CG2-SG 3.42Å; S620-C629 WeakPolarHBondContact CB-O 3.34Å; S620-C629 VanDerWaalsContact OG-C 3.29Å; S620-C629 PolarHBondContact OG-N 2.72Å; S620-C629 PolarHBondContact OG-O 3.23Å; C629-I689 VanDerWaalsContact SG-CG2 3.51Å
630	M	97.9	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	136.7	-179.5	-174.7	-177.4	-55.7	0	0	110.2	F525 F575 H576 A613 H617 I690 Y692	F525-M630 HydrophobicContact CD2-SD 4.25Å; F525-M630 HydrophobicContact CE2-CE 4.04Å; F525-M630 HydrophobicContact CE2-SD 4.14Å; F575-M630 HydrophobicContact CB-CG 4.37Å; F575-M630 HydrophobicContact CB-SD 3.85Å; F575-M630 HydrophobicContact CD1-CG 4.22Å; F575-M630 HydrophobicContact CD1-SD 3.49Å; F575-M630 WeakPolarHBondContact CD1-SD 3.43Å; F575-M630 HydrophobicContact CE1-SD 4.36Å; F575-M630 HydrophobicContact CG-SD 3.97Å; H576-M630 CarbonylContact O-C 3.52Å; H576-M630 WeakPolarHBondContact O-CA 3.31Å; H576-M630 WeakPolarHBondContact O-CG 3.1Å; A613-M630 HydrophobicContact CB-CE 4.48Å; A613-M630 HydrophobicContact CB-SD 3.91Å; A613-M630 WeakPolarHBondContact O-CE 3.26Å; H617-M630 HydrophobicContact CB-CE 4.19Å; M630-I690 PolarHBondContact N-O 3.1Å; M630-I690 PolarHBondContact O-N 2.81Å; M630-Y692 HydrophobicContact CB-CE1 4.03Å; M630-Y692 HydrophobicContact CE-CE1 3.98Å; M630-Y692 VanDerWaalsContact CE-OH 3.32Å; M630-Y692 WeakPolarHBondContact CE-OH 3.45Å
631	F	98.6	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	141.6	168.6	-73.5	-90.9	0	0	0	110.6	V542 F575 H576 T578 V583 I586 F591 P686 F688 I689	V542-F631 HydrophobicContact CG2-CE1 4.33Å; F575-F631 CarbonylContact C-O 3.49Å; F575-F631 WeakPolarHBondContact CA-O 3.41Å; H576-F631 HydrophobicContact CB-CB 4.37Å; H576-F631 PolarHBondContact N-O 2.69Å; H576-F631 PolarHBondContact O-N 3.43Å; T578-F631 HydrophobicContact CG2-CD2 4.04Å; T578-F631 HydrophobicContact CG2-CE2 3.95Å; V583-F631 HydrophobicContact CG1-CE2 4.43Å; V583-F631 HydrophobicContact CG1-CZ 3.96Å; I586-F631 HydrophobicContact CB-CE2 3.91Å; I586-F631 HydrophobicContact CB-CZ 3.79Å; I586-F631 HydrophobicContact CD1-CD2 4.37Å; I586-F631 HydrophobicContact CD1-CE2 3.77Å; I586-F631 HydrophobicContact CG1-CE2 4.45Å; I586-F631 HydrophobicContact CG2-CD2 4.24Å; I586-F631 HydrophobicContact CG2-CE1 3.99Å; I586-F631 HydrophobicContact CG2-CE2 3.66Å; I586-F631 HydrophobicContact CG2-CZ 3.51Å; F591-F631 HydrophobicContact CE1-CB 4.14Å; F591-F631 HydrophobicContact CE1-CD2 4Å; F591-F631 HydrophobicContact CE1-CG 4.05Å; F591-F631 HydrophobicContact CZ-CB 3.82Å; F591-F631 HydrophobicContact CZ-CD1 4.23Å; F591-F631 HydrophobicContact CZ-CD2 4.3Å; F591-F631 AromaticContact CZ-CG 3.88Å; F591-F631 HydrophobicContact CZ-CG 3.88Å; F631-P686 HydrophobicContact CD1-CB 3.58Å; F631-P686 HydrophobicContact CE1-CB 3.63Å; F631-F688 CarbonylContact C-O 3.58Å; F631-F688 VanDerWaalsContact CA-O 3.29Å; F631-F688 WeakPolarHBondContact CA-O 3.42Å; F631-I689 HydrophobicContact CD1-CG1 3.95Å; F631-I689 HydrophobicContact CE1-CD1 4.31Å; F631-I689 HydrophobicContact CE1-CG1 3.55Å; F631-I689 HydrophobicContact CZ-CG1 4.14Å
632	L	98.7	Very high	96.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.5	149.9	-174.3	72.1	0	0	0	107	V521 L524 H573 F575 Y687 F688	V521-L632 HydrophobicContact CG1-CD2 4.37Å; V521-L632 HydrophobicContact CG2-CD2 3.94Å; L524-L632 HydrophobicContact CD1-CD2 3.94Å; H573-L632 HydrophobicContact CB-CD1 4.18Å; H573-L632 HydrophobicContact CB-CG 4.46Å; F575-L632 HydrophobicContact CD1-CD1 3.9Å; F575-L632 HydrophobicContact CD2-CD1 4.36Å; F575-L632 HydrophobicContact CE1-CB 4.49Å; F575-L632 HydrophobicContact CE1-CD1 3.63Å; F575-L632 HydrophobicContact CE2-CD1 4.11Å; F575-L632 HydrophobicContact CG-CD1 4.26Å; F575-L632 HydrophobicContact CZ-CD1 3.74Å; L632-Y687 WeakPolarHBondContact O-CB 3.48Å; L632-Y687 PolarHBondContact O-N 3.18Å; L632-F688 HydrophobicContact CB-CB 4.42Å; L632-F688 HydrophobicContact CD2-CD2 4.33Å; L632-F688 PolarHBondContact N-O 3.02Å; L632-F688 PolarHBondContact O-N 3Å
633	A	98.5	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	148.2	-178.9	0	0	0	0	0	111.2	H573 L574 F591 F609 V635 Y685	H573-A633 WeakPolarHBondContact CA-O 3.3Å; L574-A633 PolarHBondContact N-O 3.12Å; L574-A633 PolarHBondContact O-N 2.78Å; F591-A633 HydrophobicContact CE2-CB 3.73Å; F591-A633 HydrophobicContact CZ-CB 3.91Å; F609-A633 HydrophobicContact CD1-CB 3.96Å; F609-A633 HydrophobicContact CE1-CB 3.63Å; A633-V635 HydrophobicContact CB-CG2 3.91Å; A633-Y685 CarbonylContact C-O 3.6Å; A633-Y685 VanDerWaalsContact CA-O 3.29Å; A633-Y685 WeakPolarHBondContact CA-O 3.39Å
634	K	97.6	Very high	96.2	Very high	27 Å²	27	36.5 Å²	36.5	12%	0.117	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.6	161.7	-83.9	171.4	161.7	-85.7	0	108	W548 Y551 E571 S684 Y685 Y687	W548-K634 HydrophobicContact CH2-CD 4.47Å; W548-K634 HydrophobicContact CZ3-CD 4Å; Y551-K634 HydrophobicContact CE1-CB 4.28Å; Y551-K634 HydrophobicContact CE1-CD 4.43Å; Y551-K634 HydrophobicContact CE2-CB 4.12Å; E571-K634 WeakPolarHBondContact OE1-CD 3.36Å; E571-K634 WeakPolarHBondContact OE1-CG 3.23Å; E571-K634 IonicContact OE1-NZ 3.13Å; E571-K634 PolarHBondContact OE1-NZ 3.41Å; E571-K634 IonicContact OE2-NZ 2.73Å; K634-S684 CarbonylContact O-C 3.58Å; K634-S684 WeakPolarHBondContact O-CA 3.42Å; K634-Y685 PolarHBondContact N-O 3.4Å; K634-Y685 PolarHBondContact O-N 3.42Å; K634-Y687 HydrophobicContact CD-CD1 3.69Å; K634-Y687 HydrophobicContact CD-CE1 3.95Å; K634-Y687 HydrophobicContact CD-CG 4.02Å; K634-Y687 HydrophobicContact CG-CD1 3.73Å; K634-Y687 HydrophobicContact CG-CE1 4.33Å; K634-Y687 HydrophobicContact CG-CG 4.22Å
635	V	98	Very high	96.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.1	-171.3	-173.6	0	0	0	0	111.4	E571 R572 L574 F609 A633 T637 I678 Q683	E571-V635 CarbonylContact C-O 3.59Å; E571-V635 WeakPolarHBondContact CA-O 3.29Å; R572-V635 PolarHBondContact N-O 3.25Å; R572-V635 PolarHBondContact O-N 3.49Å; L574-V635 HydrophobicContact CB-CG2 4.17Å; L574-V635 HydrophobicContact CD1-CB 4.03Å; L574-V635 HydrophobicContact CD1-CG1 4.24Å; L574-V635 HydrophobicContact CD1-CG2 4.16Å; L574-V635 HydrophobicContact CG-CG2 4.43Å; F609-V635 HydrophobicContact CB-CG2 4.49Å; F609-V635 HydrophobicContact CD1-CG2 3.87Å; F609-V635 HydrophobicContact CD2-CG1 4.38Å; F609-V635 HydrophobicContact CD2-CG2 4.26Å; F609-V635 HydrophobicContact CE1-CG2 4.1Å; F609-V635 HydrophobicContact CE2-CG2 4.46Å; F609-V635 HydrophobicContact CG-CG2 3.95Å; F609-V635 HydrophobicContact CZ-CG2 4.38Å; A633-V635 HydrophobicContact CB-CG2 3.91Å; V635-T637 HydrophobicContact CB-CG2 4.25Å; V635-T637 HydrophobicContact CG1-CG2 3.76Å; V635-T637 PolarHBondContact O-N 3.2Å; V635-T637 VanDerWaalsContact O-N 3.13Å; V635-I678 HydrophobicContact CG1-CD1 3.54Å; V635-I678 HydrophobicContact CG1-CG1 3.6Å; V635-Q683 CarbonylContact C-O 3.57Å; V635-Q683 WeakPolarHBondContact CA-O 3.47Å
636	L	97.3	Very high	96.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	79.6	174.5	-58.2	175.2	0	0	0	109.8	Y551 K554 K555 M558 S570 E571 Q683	Y551-L636 HydrophobicContact CD2-CD1 4.27Å; Y551-L636 HydrophobicContact CD2-CG 4.34Å; Y551-L636 HydrophobicContact CE2-CD1 3.99Å; Y551-L636 HydrophobicContact CE2-CD2 4.09Å; Y551-L636 HydrophobicContact CE2-CG 3.6Å; Y551-L636 WeakPolarHBondContact OH-CD2 3.28Å; K554-L636 HydrophobicContact CB-CD1 3.97Å; K554-L636 HydrophobicContact CG-CD1 3.86Å; K555-L636 VanDerWaalsContact CA-CD1 3.49Å; K555-L636 HydrophobicContact CB-CD1 3.83Å; K555-L636 HydrophobicContact CB-CD2 3.81Å; K555-L636 HydrophobicContact CB-CG 4.46Å; K555-L636 HydrophobicContact CD-CD2 4.26Å; K555-L636 HydrophobicContact CG-CD2 3.8Å; K555-L636 VanDerWaalsContact N-CD1 3.29Å; M558-L636 HydrophobicContact CE-CB 3.86Å; M558-L636 HydrophobicContact SD-CB 3.76Å; M558-L636 HydrophobicContact SD-CD1 3.94Å; M558-L636 HydrophobicContact SD-CG 4.43Å; S570-L636 CarbonylContact O-C 3.54Å; E571-L636 HydrophobicContact CB-CD2 4.24Å; L636-Q683 HydrophobicContact CB-CB 4.15Å; L636-Q683 HydrophobicContact CB-CG 4.27Å; L636-Q683 PolarHBondContact N-O 2.84Å; L636-Q683 PolarHBondContact O-NE2 3.38Å
637	T	95.9	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.			trans	-72.3	-30.7	-179.8	56.7	0	0	0	0	113.3	S570 R572 L574 V635 S665 Y676	S570-T637 PolarHBondContact O-N 3.24Å; S570-T637 PolarHBondContact O-OG1 3.43Å; R572-T637 HydrophobicContact CB-CG2 4.24Å; R572-T637 HydrophobicContact CG-CG2 4.38Å; R572-T637 PolarHBondContact NH1-OG1 3.46Å; L574-T637 HydrophobicContact CD1-CG2 3.89Å; V635-T637 HydrophobicContact CB-CG2 4.25Å; V635-T637 HydrophobicContact CG1-CG2 3.76Å; V635-T637 PolarHBondContact O-N 3.2Å; V635-T637 VanDerWaalsContact O-N 3.13Å; T637-S665 WeakPolarHBondContact O-CB 3.11Å; T637-S665 PolarHBondContact O-OG 2.77Å; T637-Y676 HydrophobicContact CG2-CD1 3.34Å; T637-Y676 HydrophobicContact CG2-CD2 4.37Å; T637-Y676 HydrophobicContact CG2-CE1 3.72Å; T637-Y676 HydrophobicContact CG2-CG 3.7Å
638	G	93.6	Very high	96	Very high	11 Å²	11	36.5 Å²	36.5	11%	0.113	19%	0.188	C	C	.	.			trans	53.2	-140.9	174.4	0	0	0	0	0	114.3	S570 D664	S570-G638 PolarHBondContact O-N 3.37Å; G638-D664 WeakPolarHBondContact CA-OD2 3.49Å
639	R	92.3	Very high	95.8	Very high	114 Å²	114	42.3 Å²	42.3	43%	0.43	21%	0.209	S	C	.	.	S	Bend	trans	-77.6	118.2	168.9	-60.5	179.7	-176.1	176.1	3.8	109	R561 Y663 D664 S665	R561-R639 PolarHBondContact O-NH2 2.99Å; R639-Y663 HydrophobicContact CB-CD1 4.14Å; R639-D664 PolarHBondContact N-OD2 3.18Å; R639-D664 PolarHBondContact O-N 3.31Å; R639-S665 PolarHBondContact O-N 2.78Å
640	F	94.9	Very high	95.7	Very high	38 Å²	38	42.4 Å²	42.4	17%	0.167	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	162.4	-178.7	52.5	-94.3	0	0	0	112.8	Y663 S665 V667 W670 P673 Y676	F640-Y663 WeakPolarHBondContact O-CD1 3.42Å; F640-Y663 WeakPolarHBondContact O-CE1 3.35Å; F640-S665 WeakPolarHBondContact CA-O 3.44Å; F640-S665 WeakPolarHBondContact CB-OG 3.42Å; F640-V667 HydrophobicContact CB-CG1 3.79Å; F640-V667 HydrophobicContact CB-CG2 4.39Å; F640-V667 HydrophobicContact CD2-CB 4.48Å; F640-V667 HydrophobicContact CD2-CG1 3.95Å; F640-V667 HydrophobicContact CD2-CG2 3.68Å; F640-V667 HydrophobicContact CE2-CG2 4.45Å; F640-V667 HydrophobicContact CG-CG1 3.95Å; F640-V667 HydrophobicContact CG-CG2 4.4Å; F640-W670 WeakPolarHBondContact O-CZ3 3.42Å; F640-P673 HydrophobicContact CE2-CG 4.25Å; F640-P673 HydrophobicContact CZ-CG 4.28Å; F640-Y676 HydrophobicContact CD1-CE1 4.03Å; F640-Y676 HydrophobicContact CE1-CE1 4.49Å; F640-Y676 HydrophobicContact CG-CE1 4.32Å
641	T	96.3	Very high	95.5	Very high	21 Å²	21	44 Å²	44	13%	0.129	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.7	174.3	-173.6	0	0	0	0	111.2	G643 P651 Y663 S665 C666 V667	T641-G643 PolarHBondContact O-N 3.39Å; T641-P651 HydrophobicContact CG2-CG 3.6Å; T641-Y663 HydrophobicContact CG2-CD1 4.2Å; T641-Y663 HydrophobicContact CG2-CD2 3.74Å; T641-Y663 HydrophobicContact CG2-CE2 4.29Å; T641-Y663 HydrophobicContact CG2-CG 3.68Å; T641-S665 PolarHBondContact N-O 3.02Å; T641-C666 CarbonylContact O-C 3.59Å; T641-C666 WeakPolarHBondContact O-CA 3.46Å; T641-V667 WeakPolarHBondContact O-CG2 3.49Å; T641-V667 PolarHBondContact O-N 3.31Å
642	V	97.3	Very high	95.3	Very high	69 Å²	69	45.8 Å²	45.8	42%	0.418	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.1	179	-177.8	0	0	0	0	109.9	V667 W670	V642-V667 WeakPolarHBondContact CA-O 3.36Å; V642-W670 HydrophobicContact CG2-CB 4.04Å
643	G	95.9	Very high	95	Very high	9 Å²	9	48.3 Å²	48.3	9%	0.093	24%	0.244	C	C	.	.			trans	-84.3	165.8	-178.1	0	0	0	0	0	114.2	F603 T641 V667	F603-G643 WeakPolarHBondContact O-CA 3.41Å; T641-G643 PolarHBondContact O-N 3.39Å; G643-V667 PolarHBondContact N-O 2.84Å
644	N	93.6	Very high	94.6	Very high	71 Å²	71	51.7 Å²	51.7	38%	0.38	26%	0.262	S	S	.	.			trans	-143.5	162.8	164.2	78.4	65.1	0	0	0	111.4	M602 F603 G604 S646 M647	M602-N644 CarbonylContact O-C 3.43Å; M602-N644 VanDerWaalsContact O-C 3.32Å; M602-N644 WeakPolarHBondContact O-CA 3.44Å; F603-N644 CarbonylContact C-O 3.56Å; G604-N644 WeakPolarHBondContact CA-O 3.29Å; G604-N644 PolarHBondContact N-O 2.96Å; N644-S646 VanDerWaalsContact C-N 3.26Å; N644-S646 PolarHBondContact O-N 2.66Å; N644-S646 VanDerWaalsContact O-N 3.14Å; N644-S646 WeakPolarHBondContact OD1-CB 3.21Å; N644-S646 PolarHBondContact OD1-N 2.89Å; N644-S646 PolarHBondContact OD1-OG 3.34Å; N644-M647 PolarHBondContact N-SD 3.42Å; N644-M647 WeakPolarHBondContact O-CB 3.43Å; N644-M647 PolarHBondContact O-N 3.37Å; N644-M647 VanDerWaalsContact O-N 3.09Å
645	S	93.4	Very high	94.2	Very high	67 Å²	67	55.7 Å²	55.7	47%	0.469	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14	-169.1	57.4	0	0	0	0	117	T601 M602 Q605	T601-S645 WeakPolarHBondContact O-CA 3.44Å; T601-S645 WeakPolarHBondContact O-CB 3.46Å; M602-S645 PolarHBondContact O-N 3.32Å; M602-S645 VanDerWaalsContact O-N 3.07Å; Q605-S645 PolarHBondContact NE2-O 3.45Å
646	S	92.5	Very high	93.9	Very high	87 Å²	87	67.2 Å²	67.2	61%	0.608	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.4	174.4	73.2	0	0	0	0	113.6	N644 R648	N644-S646 VanDerWaalsContact C-N 3.26Å; N644-S646 PolarHBondContact O-N 2.66Å; N644-S646 VanDerWaalsContact O-N 3.14Å; N644-S646 WeakPolarHBondContact OD1-CB 3.21Å; N644-S646 PolarHBondContact OD1-N 2.89Å; N644-S646 PolarHBondContact OD1-OG 3.34Å; S646-R648 PolarHBondContact O-N 3.23Å
647	M	94.1	Very high	93.5	Very high	31 Å²	31	70 Å²	70	15%	0.153	35%	0.349	C	S	.	.			trans	-68.1	119.1	-175.6	-70.8	176.3	162.2	0	0	111.4	G604 Q605 N644 P651 F679	G604-M647 CarbonylContact C-O 3.52Å; G604-M647 WeakPolarHBondContact CA-O 3.4Å; Q605-M647 PolarHBondContact N-O 3.15Å; N644-M647 PolarHBondContact N-SD 3.42Å; N644-M647 WeakPolarHBondContact O-CB 3.43Å; N644-M647 PolarHBondContact O-N 3.37Å; N644-M647 VanDerWaalsContact O-N 3.09Å; M647-P651 HydrophobicContact CE-CB 4.18Å; M647-P651 HydrophobicContact CE-CG 3.79Å; M647-F679 HydrophobicContact CB-CZ 4.48Å; M647-F679 WeakPolarHBondContact O-CE1 3.42Å
648	R	93.4	Very high	93	Very high	198 Å²	198	76.4 Å²	76.4	75%	0.747	39%	0.394	S	S	*	.	S	Bend	trans	-97.4	-5.8	170	-72.8	-179.3	171.1	173.8	-1.2	114	Q605 S646 F679	Q605-R648 HydrophobicContact CB-CG 4.19Å; Q605-R648 VanDerWaalsContact OE1-CG 3.28Å; S646-R648 PolarHBondContact O-N 3.23Å; R648-F679 WeakPolarHBondContact O-CD1 3.41Å
649	R	94.4	Very high	92.8	Very high	140 Å²	140	80.7 Å²	80.7	53%	0.528	42%	0.423	S	S	.	.	S	Bend	trans	-157.7	163.1	173.4	60.8	174.3	-177.1	82.9	-15	107.9
650	P	95.1	Very high	92.6	Very high	5 Å²	5	76.4 Å²	76.4	3%	0.032	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-62.2	152.4	172.6	-19.6	33.7	0	0	0	111.5	Y663 F679	P650-Y663 WeakPolarHBondContact CB-O 3.25Å; P650-Y663 VanDerWaalsContact CG-O 3.24Å; P650-Y663 WeakPolarHBondContact CG-O 3.29Å; P650-F679 VanDerWaalsContact CD-CD2 3.45Å; P650-F679 HydrophobicContact CG-CD2 3.58Å; P650-F679 HydrophobicContact CG-CE2 3.89Å; P650-F679 HydrophobicContact CG-CG 4.44Å
651	P	94.4	Very high	92.3	Very high	32 Å²	32	77.7 Å²	77.7	21%	0.208	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-72.3	164.6	175.5	31.8	-35.1	0	0	0	111.6	T641 M647 L662 Y663	T641-P651 HydrophobicContact CG2-CG 3.6Å; M647-P651 HydrophobicContact CE-CB 4.18Å; M647-P651 HydrophobicContact CE-CG 3.79Å; P651-L662 WeakPolarHBondContact O-CA 3.31Å; P651-Y663 HydrophobicContact CG-CD2 4.06Å; P651-Y663 WeakPolarHBondContact O-CD2 3.39Å; P651-Y663 PolarHBondContact O-N 2.72Å
652	P	94.1	Very high	92.2	Very high	38 Å²	38	79.9 Å²	79.9	25%	0.247	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-63.8	149.7	168.9	29.1	-35.8	0	0	0	111.8	P655 D661 L662	P652-P655 HydrophobicContact CG-CB 4.43Å; P652-P655 HydrophobicContact CG-CG 4.45Å; P652-D661 CarbonylContact C-O 3.59Å; P652-D661 WeakPolarHBondContact CA-O 3.24Å; P652-L662 HydrophobicContact CB-CD2 4.23Å
653	I	91.6	Very high	92.1	Very high	56 Å²	56	78.9 Å²	78.9	29%	0.287	42%	0.418	S	S	.	.	S	Bend	trans	-69.4	-40.4	175.2	-65.4	178.7	0	0	0	110.5	D661 Y663	I653-D661 HydrophobicContact CD1-CB 4.16Å; I653-D661 WeakPolarHBondContact CG1-O 3.34Å; I653-D661 PolarHBondContact N-O 3.29Å; I653-Y663 HydrophobicContact CB-CE2 4.31Å; I653-Y663 HydrophobicContact CG1-CD1 4.39Å; I653-Y663 HydrophobicContact CG1-CD2 3.9Å; I653-Y663 HydrophobicContact CG1-CE1 4.4Å; I653-Y663 HydrophobicContact CG1-CE2 3.93Å; I653-Y663 HydrophobicContact CG1-CG 4.14Å
654	N	91.4	Very high	92	Very high	71 Å²	71	80.1 Å²	80.1	38%	0.38	42%	0.423	S	S	.	.	S	Bend	trans	-114.5	100.2	169.1	178.8	12.1	0	0	0	110.6	R656 D657 S660	N654-R656 PolarHBondContact O-N 3.2Å; N654-R656 WeakPolarHBondContact OD1-CB 3.17Å; N654-R656 PolarHBondContact OD1-N 3.45Å; N654-R656 VanDerWaalsContact OD1-N 3.13Å; N654-D657 HydrophobicContact CB-CB 4.35Å; N654-D657 WeakPolarHBondContact ND2-CB 3.29Å; N654-D657 PolarHBondContact O-N 2.89Å; N654-D657 VanDerWaalsContact O-N 3.13Å; N654-S660 WeakPolarHBondContact CB-OG 3.31Å; N654-S660 PolarHBondContact N-OG 2.85Å; N654-S660 WeakPolarHBondContact O-CB 3.45Å
655	P	89.3	Confident	92.2	Very high	110 Å²	110	76.7 Å²	76.7	71%	0.714	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-8.2	178.9	-25.2	35.2	0	0	0	116.1	P652	P652-P655 HydrophobicContact CG-CB 4.43Å; P652-P655 HydrophobicContact CG-CG 4.45Å
656	R	90.1	Very high	92.4	Very high	242 Å²	242	73.5 Å²	73.5	91%	0.913	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.4	177.6	-61.1	-178.4	176.9	178.1	-1.2	113.7	N654	N654-R656 PolarHBondContact O-N 3.2Å; N654-R656 WeakPolarHBondContact OD1-CB 3.17Å; N654-R656 PolarHBondContact OD1-N 3.45Å; N654-R656 VanDerWaalsContact OD1-N 3.13Å
657	D	90.5	Very high	92.6	Very high	59 Å²	59	69.4 Å²	69.4	32%	0.316	35%	0.353	S	S	.	.			trans	-125.5	115.6	-176.6	165.8	19.3	0	0	0	109.2	N654 S659 S660	N654-D657 HydrophobicContact CB-CB 4.35Å; N654-D657 WeakPolarHBondContact ND2-CB 3.29Å; N654-D657 PolarHBondContact O-N 2.89Å; N654-D657 VanDerWaalsContact O-N 3.13Å; D657-S659 PolarHBondContact O-N 2.89Å; D657-S659 WeakPolarHBondContact OD1-CA 3.35Å; D657-S659 WeakPolarHBondContact OD1-CB 3.41Å; D657-S659 PolarHBondContact OD1-N 3.15Å; D657-S659 PolarHBondContact OD1-OG 3.35Å; D657-S660 WeakPolarHBondContact O-CB 3.34Å; D657-S660 PolarHBondContact O-N 2.82Å; D657-S660 VanDerWaalsContact O-N 3.14Å; D657-S660 PolarHBondContact OD1-N 3Å; D657-S660 PolarHBondContact OD2-N 3.08Å
658	S	84.5	Confident	92.7	Very high	136 Å²	136	69.8 Å²	69.8	95%	0.951	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.1	-179.3	52.1	0	0	0	0	113.7
659	S	88.9	Confident	92.8	Very high	101 Å²	101	63.9 Å²	63.9	71%	0.706	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.1	171.6	71	0	0	0	0	113.1	D657	D657-S659 PolarHBondContact O-N 2.89Å; D657-S659 WeakPolarHBondContact OD1-CA 3.35Å; D657-S659 WeakPolarHBondContact OD1-CB 3.41Å; D657-S659 PolarHBondContact OD1-N 3.15Å; D657-S659 PolarHBondContact OD1-OG 3.35Å
660	S	88.7	Confident	92.7	Very high	23 Å²	23	63.5 Å²	63.5	16%	0.161	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-65	138	-177.1	-164.4	0	0	0	0	112.4	N654 D657	N654-S660 WeakPolarHBondContact CB-OG 3.31Å; N654-S660 PolarHBondContact N-OG 2.85Å; N654-S660 WeakPolarHBondContact O-CB 3.45Å; D657-S660 WeakPolarHBondContact O-CB 3.34Å; D657-S660 PolarHBondContact O-N 2.82Å; D657-S660 VanDerWaalsContact O-N 3.14Å; D657-S660 PolarHBondContact OD1-N 3Å; D657-S660 PolarHBondContact OD2-N 3.08Å
661	D	89.6	Confident	92.6	Very high	66 Å²	66	69.4 Å²	69.4	35%	0.353	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-53.4	151.8	170.6	-60.8	-64.7	0	0	0	112.4	R561 P652 I653	R561-D661 IonicContact CZ-OD1 3.47Å; R561-D661 IonicContact CZ-OD2 3.46Å; R561-D661 VanDerWaalsContact NH1-CG 3.26Å; R561-D661 IonicContact NH1-OD1 2.66Å; R561-D661 PolarHBondContact NH1-OD1 3.45Å; R561-D661 IonicContact NH1-OD2 3.44Å; R561-D661 PolarHBondContact NH1-OD2 2.66Å; R561-D661 VanDerWaalsContact NH2-CG 3.34Å; R561-D661 IonicContact NH2-OD1 3.39Å; R561-D661 PolarHBondContact NH2-OD1 2.98Å; R561-D661 IonicContact NH2-OD2 2.68Å; R561-D661 PolarHBondContact NH2-OD2 3.42Å; P652-D661 CarbonylContact C-O 3.59Å; P652-D661 WeakPolarHBondContact CA-O 3.24Å; I653-D661 HydrophobicContact CD1-CB 4.16Å; I653-D661 WeakPolarHBondContact CG1-O 3.34Å; I653-D661 PolarHBondContact N-O 3.29Å
662	L	93.5	Very high	92.6	Very high	67 Å²	67	71.6 Å²	71.6	35%	0.351	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-84.6	160.2	170.3	-50.9	-172.3	0	0	0	110.8	P651 P652	P651-L662 WeakPolarHBondContact O-CA 3.31Å; P652-L662 HydrophobicContact CB-CD2 4.23Å
663	Y	94.3	Very high	92.6	Very high	48 Å²	48	70.2 Å²	70.2	19%	0.188	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-61.8	156.4	155.8	-73.8	-88.3	0	0	0	110	R639 F640 T641 P650 P651 I653 W670	R639-Y663 HydrophobicContact CB-CD1 4.14Å; F640-Y663 WeakPolarHBondContact O-CD1 3.42Å; F640-Y663 WeakPolarHBondContact O-CE1 3.35Å; T641-Y663 HydrophobicContact CG2-CD1 4.2Å; T641-Y663 HydrophobicContact CG2-CD2 3.74Å; T641-Y663 HydrophobicContact CG2-CE2 4.29Å; T641-Y663 HydrophobicContact CG2-CG 3.68Å; P650-Y663 WeakPolarHBondContact CB-O 3.25Å; P650-Y663 VanDerWaalsContact CG-O 3.24Å; P650-Y663 WeakPolarHBondContact CG-O 3.29Å; P651-Y663 HydrophobicContact CG-CD2 4.06Å; P651-Y663 WeakPolarHBondContact O-CD2 3.39Å; P651-Y663 PolarHBondContact O-N 2.72Å; I653-Y663 HydrophobicContact CB-CE2 4.31Å; I653-Y663 HydrophobicContact CG1-CD1 4.39Å; I653-Y663 HydrophobicContact CG1-CD2 3.9Å; I653-Y663 HydrophobicContact CG1-CE1 4.4Å; I653-Y663 HydrophobicContact CG1-CE2 3.93Å; I653-Y663 HydrophobicContact CG1-CG 4.14Å; Y663-W670 AromaticContact CE1-CH2 3.87Å; Y663-W670 HydrophobicContact CE1-CH2 3.87Å; Y663-W670 HydrophobicContact CE1-CZ3 4.26Å
664	D	95.1	Very high	92.9	Very high	34 Å²	34	69.7 Å²	69.7	18%	0.182	37%	0.371	C	S	.	.	S	Bend	trans	-83.7	-30.9	-179.7	-62.3	-62.3	0	0	0	112	M558 G638 R639 Q683	M558-D664 HydrophobicContact CE-CB 3.81Å; G638-D664 WeakPolarHBondContact CA-OD2 3.49Å; R639-D664 PolarHBondContact N-OD2 3.18Å; R639-D664 PolarHBondContact O-N 3.31Å; D664-Q683 PolarHBondContact O-NE2 2.68Å
665	S	96.6	Very high	93.1	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	169.6	179.3	66.2	0	0	0	0	113.5	T637 R639 F640 T641 V677	T637-S665 WeakPolarHBondContact O-CB 3.11Å; T637-S665 PolarHBondContact O-OG 2.77Å; R639-S665 PolarHBondContact O-N 2.78Å; F640-S665 WeakPolarHBondContact CA-O 3.44Å; F640-S665 WeakPolarHBondContact CB-OG 3.42Å; T641-S665 PolarHBondContact N-O 3.02Å; S665-V677 WeakPolarHBondContact CB-O 3.45Å
666	C	97.4	Very high	93.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	152.3	171.6	-72.2	0	0	0	0	111.6	F603 T641 Y676 V677 F679	F603-C666 WeakPolarHBondContact O-CB 3.42Å; T641-C666 CarbonylContact O-C 3.59Å; T641-C666 WeakPolarHBondContact O-CA 3.46Å; C666-Y676 CarbonylContact O-C 3.59Å; C666-Y676 WeakPolarHBondContact O-CA 3.47Å; C666-V677 HydrophobicContact CB-CB 4.27Å; C666-V677 PolarHBondContact N-O 2.67Å; C666-V677 VanDerWaalsContact N-O 3.11Å; C666-V677 PolarHBondContact O-N 3.45Å; C666-F679 HydrophobicContact CB-CE2 3.85Å; C666-F679 HydrophobicContact CB-CZ 4.09Å
667	V	97.6	Very high	93.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	165.2	-178.6	-67.7	0	0	0	0	113	F640 T641 V642 G643 N669 P673 I675 Y676	F640-V667 HydrophobicContact CB-CG1 3.79Å; F640-V667 HydrophobicContact CB-CG2 4.39Å; F640-V667 HydrophobicContact CD2-CB 4.48Å; F640-V667 HydrophobicContact CD2-CG1 3.95Å; F640-V667 HydrophobicContact CD2-CG2 3.68Å; F640-V667 HydrophobicContact CE2-CG2 4.45Å; F640-V667 HydrophobicContact CG-CG1 3.95Å; F640-V667 HydrophobicContact CG-CG2 4.4Å; T641-V667 WeakPolarHBondContact O-CG2 3.49Å; T641-V667 PolarHBondContact O-N 3.31Å; V642-V667 WeakPolarHBondContact CA-O 3.36Å; G643-V667 PolarHBondContact N-O 2.84Å; V667-N669 WeakPolarHBondContact CG2-O 3.44Å; V667-P673 HydrophobicContact CB-CB 3.89Å; V667-P673 HydrophobicContact CG1-CB 3.75Å; V667-P673 HydrophobicContact CG2-CB 4.4Å; V667-I675 VanDerWaalsContact CA-O 3.25Å; V667-I675 WeakPolarHBondContact CA-O 3.47Å; V667-I675 WeakPolarHBondContact CB-O 3.47Å; V667-I675 WeakPolarHBondContact CG1-O 3.46Å; V667-Y676 HydrophobicContact CG1-CD1 3.42Å; V667-Y676 VanDerWaalsContact CG1-CD1 3.42Å; V667-Y676 HydrophobicContact CG1-CE1 3.59Å; V667-Y676 HydrophobicContact CG1-CG 4.01Å
668	D	96.4	Very high	94.2	Very high	39 Å²	39	47.4 Å²	47.4	21%	0.209	26%	0.264	C	S	.	.	S	Bend	trans	-73.5	-36	171.1	62.2	-37.8	0	0	0	113.3	F603 P673 Q674 I675	F603-D668 HydrophobicContact CD1-CB 4.46Å; F603-D668 HydrophobicContact CD2-CB 3.99Å; F603-D668 HydrophobicContact CE1-CB 4.08Å; F603-D668 HydrophobicContact CE2-CB 3.57Å; F603-D668 HydrophobicContact CG-CB 4.42Å; F603-D668 HydrophobicContact CZ-CB 3.62Å; D668-P673 WeakPolarHBondContact OD1-CA 3.38Å; D668-Q674 PolarHBondContact OD1-N 3.23Å; D668-Q674 WeakPolarHBondContact OD2-CB 3.24Å; D668-Q674 PolarHBondContact OD2-N 3.16Å; D668-I675 HydrophobicContact CB-CB 4.07Å; D668-I675 HydrophobicContact CB-CD1 4.21Å; D668-I675 HydrophobicContact CB-CG1 4.39Å; D668-I675 PolarHBondContact N-O 3.2Å; D668-I675 PolarHBondContact OD1-N 3.37Å
669	N	95.5	Very high	94.7	Very high	75 Å²	75	41.9 Å²	41.9	40%	0.401	22%	0.223	S	C	.	.			trans	-145.4	136.7	-178.5	-168	-78.9	0	0	0	111.2	V667 V671 D672 P673	V667-N669 WeakPolarHBondContact CG2-O 3.44Å; N669-V671 PolarHBondContact OD1-N 3.28Å; N669-D672 PolarHBondContact OD1-N 2.78Å; N669-D672 VanDerWaalsContact OD1-N 3.09Å; N669-P673 WeakPolarHBondContact O-CA 3.4Å; N669-P673 VanDerWaalsContact O-CB 3.29Å; N669-P673 WeakPolarHBondContact O-CB 3.09Å; N669-P673 WeakPolarHBondContact O-CD 3.39Å
670	W	91.4	Very high	95	Very high	131 Å²	131	40.7 Å²	40.7	50%	0.496	21%	0.208	S	C	.	.	S	Bend	trans	-72	-33.9	179.6	-170.9	-70.4	0	0	0	113.2	F640 V642 Y663	F640-W670 WeakPolarHBondContact O-CZ3 3.42Å; V642-W670 HydrophobicContact CG2-CB 4.04Å; Y663-W670 AromaticContact CE1-CH2 3.87Å; Y663-W670 HydrophobicContact CE1-CH2 3.87Å; Y663-W670 HydrophobicContact CE1-CZ3 4.26Å
671	V	92.9	Very high	95.1	Very high	130 Å²	130	41.7 Å²	41.7	79%	0.788	21%	0.212	S	C	*	.	S	Bend	trans	-86.9	-44.8	-170.3	-176.9	0	0	0	0	111.7	N669	N669-V671 PolarHBondContact OD1-N 3.28Å
672	D	94.3	Very high	95.4	Very high	77 Å²	77	40.2 Å²	40.2	41%	0.412	20%	0.204	S	C	.	.	S	Bend	trans	-135.8	79.7	173.9	-166.1	46.9	0	0	0	110	R611 N669 Q674	R611-D672 IonicContact CZ-OD1 3.06Å; R611-D672 VanDerWaalsContact CZ-OD1 3.23Å; R611-D672 IonicContact CZ-OD2 2.66Å; R611-D672 IonicContact NH1-OD1 2.66Å; R611-D672 PolarHBondContact NH1-OD1 2.82Å; R611-D672 IonicContact NH1-OD2 3.32Å; R611-D672 VanDerWaalsContact NH2-CG 3.26Å; R611-D672 IonicContact NH2-OD1 2.76Å; R611-D672 PolarHBondContact NH2-OD1 3.5Å; R611-D672 VanDerWaalsContact NH2-OD1 3.08Å; R611-D672 IonicContact NH2-OD2 2.89Å; R611-D672 PolarHBondContact NH2-OD2 2.66Å; N669-D672 PolarHBondContact OD1-N 2.78Å; N669-D672 VanDerWaalsContact OD1-N 3.09Å; D672-Q674 VanDerWaalsContact CG-NE2 3.35Å; D672-Q674 PolarHBondContact O-N 3.06Å; D672-Q674 PolarHBondContact O-NE2 3.27Å; D672-Q674 PolarHBondContact OD2-NE2 3.42Å
673	P	95.9	Very high	95.6	Very high	10 Å²	10	37.2 Å²	37.2	7%	0.065	19%	0.188	C	C	.	.			trans	-65.1	123.3	179.8	22.8	-33.6	0	0	0	112.3	R611 F640 V667 D668 N669 Y676	R611-P673 PolarHBondContact NE-O 2.93Å; F640-P673 HydrophobicContact CE2-CG 4.25Å; F640-P673 HydrophobicContact CZ-CG 4.28Å; V667-P673 HydrophobicContact CB-CB 3.89Å; V667-P673 HydrophobicContact CG1-CB 3.75Å; V667-P673 HydrophobicContact CG2-CB 4.4Å; D668-P673 WeakPolarHBondContact OD1-CA 3.38Å; N669-P673 WeakPolarHBondContact O-CA 3.4Å; N669-P673 VanDerWaalsContact O-CB 3.29Å; N669-P673 WeakPolarHBondContact O-CB 3.09Å; N669-P673 WeakPolarHBondContact O-CD 3.39Å; P673-Y676 HydrophobicContact CB-CE1 4.42Å; P673-Y676 HydrophobicContact CB-CE2 4.07Å; P673-Y676 HydrophobicContact CG-CE1 4.45Å; P673-Y676 HydrophobicContact CG-CE2 4.33Å; P673-Y676 WeakPolarHBondContact CG-OH 3.38Å
674	Q	96.4	Very high	95.7	Very high	44 Å²	44	34.9 Å²	34.9	21%	0.206	18%	0.179	C	C	.	.			trans	-94.3	-24.9	169.5	-45.8	-50.5	-58.4	0	0	112.2	A610 R611 D668 D672	A610-Q674 CarbonylContact C-O 3.55Å; A610-Q674 WeakPolarHBondContact CA-O 3.42Å; R611-Q674 PolarHBondContact N-O 3.32Å; R611-Q674 VanDerWaalsContact NH2-CD 3.31Å; D668-Q674 PolarHBondContact OD1-N 3.23Å; D668-Q674 WeakPolarHBondContact OD2-CB 3.24Å; D668-Q674 PolarHBondContact OD2-N 3.16Å; D672-Q674 VanDerWaalsContact CG-NE2 3.35Å; D672-Q674 PolarHBondContact O-N 3.06Å; D672-Q674 PolarHBondContact O-NE2 3.27Å; D672-Q674 PolarHBondContact OD2-NE2 3.42Å
675	I	96.9	Very high	95.9	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.5	-172.2	-57.9	169.6	0	0	0	108.9	F603 Y608 F609 Y615 V667 D668 V677	F603-I675 HydrophobicContact CD2-CD1 4.41Å; F603-I675 HydrophobicContact CD2-CG2 4.45Å; F603-I675 HydrophobicContact CE2-CD1 3.97Å; Y608-I675 HydrophobicContact CD1-CG2 3.7Å; Y608-I675 HydrophobicContact CE1-CG2 4.18Å; F609-I675 CarbonylContact O-C 3.54Å; F609-I675 WeakPolarHBondContact O-CA 3.34Å; Y615-I675 HydrophobicContact CD1-CG1 4.48Å; Y615-I675 HydrophobicContact CE1-CD1 3.75Å; Y615-I675 HydrophobicContact CE1-CG1 4.02Å; Y615-I675 HydrophobicContact CE2-CD1 4.18Å; Y615-I675 WeakPolarHBondContact OH-CD1 3.33Å; V667-I675 VanDerWaalsContact CA-O 3.25Å; V667-I675 WeakPolarHBondContact CA-O 3.47Å; V667-I675 WeakPolarHBondContact CB-O 3.47Å; V667-I675 WeakPolarHBondContact CG1-O 3.46Å; D668-I675 HydrophobicContact CB-CB 4.07Å; D668-I675 HydrophobicContact CB-CD1 4.21Å; D668-I675 HydrophobicContact CB-CG1 4.39Å; D668-I675 PolarHBondContact N-O 3.2Å; D668-I675 PolarHBondContact OD1-N 3.37Å; I675-V677 HydrophobicContact CG2-CG2 4.48Å
676	Y	97.4	Very high	96	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.4	171.2	-65.8	-99.1	0	0	0	109.5	R572 L574 F609 T637 F640 C666 V667 P673	R572-Y676 WeakPolarHBondContact CD-OH 3.47Å; R572-Y676 VanDerWaalsContact CZ-OH 3.26Å; R572-Y676 PolarHBondContact NE-OH 2.75Å; R572-Y676 PolarHBondContact NH1-OH 3.11Å; L574-Y676 HydrophobicContact CD1-CD2 3.52Å; L574-Y676 HydrophobicContact CD1-CE2 4.23Å; L574-Y676 HydrophobicContact CD1-CG 3.87Å; L574-Y676 HydrophobicContact CD2-CD2 4.19Å; L574-Y676 HydrophobicContact CD2-CE2 4.27Å; F609-Y676 PolarHBondContact N-O 3.35Å; F609-Y676 PolarHBondContact O-N 2.9Å; T637-Y676 HydrophobicContact CG2-CD1 3.34Å; T637-Y676 HydrophobicContact CG2-CD2 4.37Å; T637-Y676 HydrophobicContact CG2-CE1 3.72Å; T637-Y676 HydrophobicContact CG2-CG 3.7Å; F640-Y676 HydrophobicContact CD1-CE1 4.03Å; F640-Y676 HydrophobicContact CE1-CE1 4.49Å; F640-Y676 HydrophobicContact CG-CE1 4.32Å; C666-Y676 CarbonylContact O-C 3.59Å; C666-Y676 WeakPolarHBondContact O-CA 3.47Å; V667-Y676 HydrophobicContact CG1-CD1 3.42Å; V667-Y676 VanDerWaalsContact CG1-CD1 3.42Å; V667-Y676 HydrophobicContact CG1-CE1 3.59Å; V667-Y676 HydrophobicContact CG1-CG 4.01Å; P673-Y676 HydrophobicContact CB-CE1 4.42Å; P673-Y676 HydrophobicContact CB-CE2 4.07Å; P673-Y676 HydrophobicContact CG-CE1 4.45Å; P673-Y676 HydrophobicContact CG-CE2 4.33Å; P673-Y676 WeakPolarHBondContact CG-OH 3.38Å
677	V	97.1	Very high	96	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.9	176.5	-173.6	0	0	0	0	108.9	F603 S607 Y608 S665 C666 I675 F679	F603-V677 HydrophobicContact CB-CG2 3.85Å; S607-V677 WeakPolarHBondContact O-CA 3.44Å; Y608-V677 HydrophobicContact CD1-CG2 3.87Å; Y608-V677 HydrophobicContact CD2-CG1 4.31Å; Y608-V677 HydrophobicContact CD2-CG2 4.24Å; Y608-V677 HydrophobicContact CE1-CG2 3.49Å; Y608-V677 VanDerWaalsContact CE1-CG2 3.49Å; Y608-V677 HydrophobicContact CE2-CG1 3.87Å; Y608-V677 HydrophobicContact CE2-CG2 3.88Å; Y608-V677 HydrophobicContact CG-CG2 4.21Å; Y608-V677 VanDerWaalsContact CZ-CG2 3.46Å; S665-V677 WeakPolarHBondContact CB-O 3.45Å; C666-V677 HydrophobicContact CB-CB 4.27Å; C666-V677 PolarHBondContact N-O 2.67Å; C666-V677 VanDerWaalsContact N-O 3.11Å; C666-V677 PolarHBondContact O-N 3.45Å; I675-V677 HydrophobicContact CG2-CG2 4.48Å; V677-F679 HydrophobicContact CB-CE2 4.35Å; V677-F679 HydrophobicContact CB-CZ 4.34Å; V677-F679 HydrophobicContact CG1-CE1 4.12Å; V677-F679 HydrophobicContact CG1-CE2 4.07Å; V677-F679 HydrophobicContact CG1-CZ 3.75Å; V677-F679 WeakPolarHBondContact O-CE2 3.45Å
678	I	96.8	Very high	96	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.5	-173.2	-57.7	-63.8	0	0	0	109.2	S607 F609 V635 N680 Q683	S607-I678 PolarHBondContact N-O 2.93Å; S607-I678 PolarHBondContact O-N 2.89Å; F609-I678 HydrophobicContact CD2-CB 4.36Å; F609-I678 HydrophobicContact CD2-CG1 3.73Å; F609-I678 HydrophobicContact CE2-CB 4.01Å; F609-I678 HydrophobicContact CE2-CG1 3.78Å; V635-I678 HydrophobicContact CG1-CD1 3.54Å; V635-I678 HydrophobicContact CG1-CG1 3.6Å; I678-N680 VanDerWaalsContact CG2-O 3.23Å; I678-N680 WeakPolarHBondContact CG2-O 3.34Å; I678-Q683 HydrophobicContact CG2-CB 3.61Å
679	F	95.9	Very high	96.1	Very high	21 Å²	21	32.9 Å²	32.9	9%	0.092	17%	0.166	C	C	.	.	S	Bend	trans	-105.7	-12.1	-171.2	-59.1	-90.4	0	0	0	113.9	Q605 M647 R648 P650 C666 V677	Q605-F679 WeakPolarHBondContact O-CD1 3.26Å; M647-F679 HydrophobicContact CB-CZ 4.48Å; M647-F679 WeakPolarHBondContact O-CE1 3.42Å; R648-F679 WeakPolarHBondContact O-CD1 3.41Å; P650-F679 VanDerWaalsContact CD-CD2 3.45Å; P650-F679 HydrophobicContact CG-CD2 3.58Å; P650-F679 HydrophobicContact CG-CE2 3.89Å; P650-F679 HydrophobicContact CG-CG 4.44Å; C666-F679 HydrophobicContact CB-CE2 3.85Å; C666-F679 HydrophobicContact CB-CZ 4.09Å; V677-F679 HydrophobicContact CB-CE2 4.35Å; V677-F679 HydrophobicContact CB-CZ 4.34Å; V677-F679 HydrophobicContact CG1-CE1 4.12Å; V677-F679 HydrophobicContact CG1-CE2 4.07Å; V677-F679 HydrophobicContact CG1-CZ 3.75Å; V677-F679 WeakPolarHBondContact O-CE2 3.45Å
680	N	94.4	Very high	96.3	Very high	76 Å²	76	29.3 Å²	29.3	41%	0.406	15%	0.147	S	C	.	.	S	Bend	trans	-120.8	133.3	174.3	-52.6	-73.2	0	0	0	109.1	I678 D682 Q683	I678-N680 VanDerWaalsContact CG2-O 3.23Å; I678-N680 WeakPolarHBondContact CG2-O 3.34Å; N680-D682 VanDerWaalsContact C-N 3.3Å; N680-D682 WeakPolarHBondContact CB-OD1 3.44Å; N680-D682 PolarHBondContact O-N 2.92Å; N680-Q683 HydrophobicContact CB-CG 4.49Å; N680-Q683 PolarHBondContact ND2-OE1 3.44Å; N680-Q683 PolarHBondContact O-N 3.16Å
681	D	92.3	Very high	96.6	Very high	43 Å²	43	24.3 Å²	24.3	23%	0.23	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-67.1	-31.4	-177.4	70.6	-40.2	0	0	0	112.5	K550 N590 Q683 S684	K550-D681 VanDerWaalsContact CE-OD1 3.26Å; K550-D681 WeakPolarHBondContact CE-OD1 3.2Å; K550-D681 WeakPolarHBondContact CE-OD2 3.37Å; K550-D681 IonicContact NZ-OD1 3.96Å; K550-D681 PolarHBondContact NZ-OD1 3.21Å; K550-D681 IonicContact NZ-OD2 3.97Å; K550-D681 PolarHBondContact NZ-OD2 3.41Å; N590-D681 HydrophobicContact CB-CB 4.44Å; N590-D681 PolarHBondContact ND2-O 3.21Å; D681-Q683 PolarHBondContact O-N 3.45Å; D681-Q683 VanDerWaalsContact O-N 3.12Å; D681-S684 PolarHBondContact O-N 3.39Å; D681-S684 VanDerWaalsContact O-O 3.1Å; D681-S684 PolarHBondContact O-OG 2.94Å; D681-S684 VanDerWaalsContact O-OG 3.06Å
682	D	95.7	Very high	96.9	Very high	35 Å²	35	18.1 Å²	18.1	19%	0.187	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-59.6	-17.2	174.4	71.7	-10.2	0	0	0	114.9	K550 K554 N680 S684	K550-D682 HydrophobicContact CD-CB 4.22Å; K550-D682 HydrophobicContact CG-CB 3.64Å; K554-D682 HydrophobicContact CB-CB 4.08Å; K554-D682 WeakPolarHBondContact CB-O 3.45Å; K554-D682 VanDerWaalsContact CD-OD2 3.29Å; K554-D682 WeakPolarHBondContact CD-OD2 3.36Å; K554-D682 HydrophobicContact CG-CB 4.23Å; K554-D682 WeakPolarHBondContact CG-OD2 3.38Å; K554-D682 IonicContact NZ-OD1 3.86Å; K554-D682 PolarHBondContact NZ-OD1 3.36Å; K554-D682 IonicContact NZ-OD2 2.89Å; K554-D682 PolarHBondContact NZ-OD2 3.14Å; N680-D682 VanDerWaalsContact C-N 3.3Å; N680-D682 WeakPolarHBondContact CB-OD1 3.44Å; N680-D682 PolarHBondContact O-N 2.92Å; D682-S684 PolarHBondContact O-N 2.66Å
683	Q	97	Very high	97	Very high	4 Å²	4	16 Å²	16	2%	0.019	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-81.5	1.1	173.7	-74.3	175	-105.8	0	0	113.2	K554 M558 V635 L636 D664 I678 N680 D681	K554-Q683 HydrophobicContact CG-CG 3.99Å; M558-Q683 HydrophobicContact SD-CG 4.17Å; V635-Q683 CarbonylContact C-O 3.57Å; V635-Q683 WeakPolarHBondContact CA-O 3.47Å; L636-Q683 HydrophobicContact CB-CB 4.15Å; L636-Q683 HydrophobicContact CB-CG 4.27Å; L636-Q683 PolarHBondContact N-O 2.84Å; L636-Q683 PolarHBondContact O-NE2 3.38Å; D664-Q683 PolarHBondContact O-NE2 2.68Å; I678-Q683 HydrophobicContact CG2-CB 3.61Å; N680-Q683 HydrophobicContact CB-CG 4.49Å; N680-Q683 PolarHBondContact ND2-OE1 3.44Å; N680-Q683 PolarHBondContact O-N 3.16Å; D681-Q683 PolarHBondContact O-N 3.45Å; D681-Q683 VanDerWaalsContact O-N 3.12Å
684	S	97.4	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.7	-178.4	61.5	0	0	0	0	112.9	N590 K634 D681 D682	N590-S684 PolarHBondContact ND2-O 3.26Å; N590-S684 PolarHBondContact OD1-O 3.09Å; K634-S684 CarbonylContact O-C 3.58Å; K634-S684 WeakPolarHBondContact O-CA 3.42Å; D681-S684 PolarHBondContact O-N 3.39Å; D681-S684 VanDerWaalsContact O-O 3.1Å; D681-S684 PolarHBondContact O-OG 2.94Å; D681-S684 VanDerWaalsContact O-OG 3.06Å; D682-S684 PolarHBondContact O-N 2.66Å
685	Y	98.2	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.8	170.6	-178.8	-95.8	0	0	0	110	W497 V542 N544 L547 W548 A633 K634 Y687	W497-Y685 WeakPolarHBondContact CH2-OH 3.28Å; W497-Y685 HydrophobicContact CZ2-CE1 4.47Å; W497-Y685 AromaticContact CZ2-CZ 3.95Å; W497-Y685 VanDerWaalsContact CZ2-OH 3.24Å; W497-Y685 WeakPolarHBondContact CZ2-OH 3.4Å; V542-Y685 PolarHBondContact O-OH 3.18Å; N544-Y685 HydrophobicContact CB-CE2 4.39Å; N544-Y685 PolarHBondContact N-OH 3.34Å; L547-Y685 HydrophobicContact CB-CD2 3.98Å; L547-Y685 HydrophobicContact CB-CE2 3.97Å; W548-Y685 HydrophobicContact CB-CD2 4.3Å; W548-Y685 HydrophobicContact CB-CE2 3.84Å; W548-Y685 AromaticContact CE3-CD1 3.98Å; W548-Y685 HydrophobicContact CE3-CD1 3.98Å; W548-Y685 HydrophobicContact CE3-CD2 4.25Å; W548-Y685 HydrophobicContact CE3-CE1 4.01Å; W548-Y685 HydrophobicContact CE3-CE2 4.29Å; W548-Y685 HydrophobicContact CE3-CG 4.12Å; W548-Y685 HydrophobicContact CZ3-CD1 4.26Å; W548-Y685 HydrophobicContact CZ3-CE1 4.47Å; A633-Y685 CarbonylContact C-O 3.6Å; A633-Y685 VanDerWaalsContact CA-O 3.29Å; A633-Y685 WeakPolarHBondContact CA-O 3.39Å; K634-Y685 PolarHBondContact N-O 3.4Å; K634-Y685 PolarHBondContact O-N 3.42Å; Y685-Y687 HydrophobicContact CD1-CD2 4.44Å; Y685-Y687 HydrophobicContact CE1-CD2 4.18Å; Y685-Y687 PolarHBondContact O-N 3.13Å; Y685-Y687 VanDerWaalsContact O-N 3.11Å
686	P	98	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	107.3	173.7	27.1	-31.4	0	0	0	108.1	V542 I586 N590 F591 F631	V542-P686 VanDerWaalsContact CB-O 3.27Å; V542-P686 WeakPolarHBondContact CB-O 3.49Å; I586-P686 HydrophobicContact CG2-CB 4.16Å; I586-P686 HydrophobicContact CG2-CG 4.44Å; N590-P686 WeakPolarHBondContact OD1-CD 3.3Å; F591-P686 HydrophobicContact CE2-CB 3.68Å; F591-P686 HydrophobicContact CE2-CG 4.29Å; F591-P686 HydrophobicContact CZ-CB 3.76Å; F631-P686 HydrophobicContact CD1-CB 3.58Å; F631-P686 HydrophobicContact CE1-CB 3.63Å
687	Y	97.9	Very high	96.9	Very high	24 Å²	24	22.7 Å²	22.7	9%	0.094	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-48.9	-167.8	-170.6	-160.6	0	0	0	112.2	V542 H573 L632 K634 Y685	V542-Y687 PolarHBondContact N-O 2.85Å; H573-Y687 AromaticContact CD2-CD1 3.95Å; H573-Y687 AromaticContact NE2-CD1 3.72Å; H573-Y687 AromaticContact NE2-CE1 3.69Å; L632-Y687 WeakPolarHBondContact O-CB 3.48Å; L632-Y687 PolarHBondContact O-N 3.18Å; K634-Y687 HydrophobicContact CD-CD1 3.69Å; K634-Y687 HydrophobicContact CD-CE1 3.95Å; K634-Y687 HydrophobicContact CD-CG 4.02Å; K634-Y687 HydrophobicContact CG-CD1 3.73Å; K634-Y687 HydrophobicContact CG-CE1 4.33Å; K634-Y687 HydrophobicContact CG-CG 4.22Å; Y685-Y687 HydrophobicContact CD1-CD2 4.44Å; Y685-Y687 HydrophobicContact CE1-CD2 4.18Å; Y685-Y687 PolarHBondContact O-N 3.13Å; Y685-Y687 VanDerWaalsContact O-N 3.11Å
688	F	98.7	Very high	96.8	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.5	174	-61.5	-85.5	0	0	0	111.5	V511 V521 I539 Q540 R541 F631 L632	V511-F688 HydrophobicContact CG2-CD1 3.97Å; V511-F688 HydrophobicContact CG2-CE1 3.89Å; V521-F688 HydrophobicContact CG2-CB 4.43Å; V521-F688 HydrophobicContact CG2-CD1 4.36Å; V521-F688 HydrophobicContact CG2-CD2 3.56Å; V521-F688 HydrophobicContact CG2-CE2 3.76Å; V521-F688 HydrophobicContact CG2-CG 3.88Å; V521-F688 HydrophobicContact CG2-CZ 4.26Å; I539-F688 HydrophobicContact CG2-CB 4.12Å; I539-F688 HydrophobicContact CG2-CD1 3.94Å; I539-F688 HydrophobicContact CG2-CG 4.34Å; Q540-F688 CarbonylContact O-C 3.57Å; Q540-F688 VanDerWaalsContact O-CA 3.31Å; Q540-F688 WeakPolarHBondContact O-CA 3.49Å; R541-F688 HydrophobicContact CB-CD1 3.95Å; R541-F688 HydrophobicContact CB-CE1 3.81Å; R541-F688 HydrophobicContact CG-CE1 4.14Å; F631-F688 CarbonylContact C-O 3.58Å; F631-F688 VanDerWaalsContact CA-O 3.29Å; F631-F688 WeakPolarHBondContact CA-O 3.42Å; L632-F688 HydrophobicContact CB-CB 4.42Å; L632-F688 HydrophobicContact CD2-CD2 4.33Å; L632-F688 PolarHBondContact N-O 3.02Å; L632-F688 PolarHBondContact O-N 3Å
689	I	98.6	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.8	167.5	-51	160.6	0	0	0	107.7	R508 I539 Q540 V542 V583 C629 F631 H691	R508-I689 HydrophobicContact CG-CD1 3.85Å; I539-I689 CarbonylContact C-O 3.52Å; I539-I689 WeakPolarHBondContact CA-O 3.45Å; Q540-I689 HydrophobicContact CB-CB 4.45Å; Q540-I689 HydrophobicContact CB-CD1 4.46Å; Q540-I689 PolarHBondContact N-O 3.47Å; Q540-I689 PolarHBondContact O-N 3.13Å; V542-I689 HydrophobicContact CG2-CD1 3.96Å; V542-I689 HydrophobicContact CG2-CG1 3.86Å; V583-I689 HydrophobicContact CG1-CD1 3.86Å; V583-I689 HydrophobicContact CG1-CG1 4.41Å; V583-I689 HydrophobicContact CG1-CG2 4.38Å; C629-I689 VanDerWaalsContact SG-CG2 3.51Å; F631-I689 HydrophobicContact CD1-CG1 3.95Å; F631-I689 HydrophobicContact CE1-CD1 4.31Å; F631-I689 HydrophobicContact CE1-CG1 3.55Å; F631-I689 HydrophobicContact CZ-CG1 4.14Å; I689-H691 WeakPolarHBondContact CG2-NE2 3.37Å
690	I	98.6	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116	174.4	-50.3	175.8	0	0	0	107.5	V521 F525 I536 F575 M630 Y692	V521-I690 HydrophobicContact CG1-CD1 3.6Å; V521-I690 HydrophobicContact CG1-CG1 3.78Å; F525-I690 HydrophobicContact CB-CD1 4.16Å; F525-I690 HydrophobicContact CD2-CD1 3.94Å; F525-I690 HydrophobicContact CD2-CG2 4.32Å; F525-I690 HydrophobicContact CE2-CG2 4.42Å; F525-I690 HydrophobicContact CG-CD1 4.35Å; I536-I690 HydrophobicContact CD1-CG2 3.85Å; I536-I690 HydrophobicContact CG1-CG2 3.85Å; I536-I690 HydrophobicContact CG2-CG2 4.24Å; F575-I690 HydrophobicContact CD1-CD1 4.5Å; F575-I690 HydrophobicContact CE1-CD1 3.97Å; M630-I690 PolarHBondContact N-O 3.1Å; M630-I690 PolarHBondContact O-N 2.81Å; I690-Y692 HydrophobicContact CG2-CD1 4.24Å
691	H	98.3	Very high	96.5	Very high	26 Å²	26	24.3 Å²	24.3	12%	0.12	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127	167.9	-67.5	-84.7	0	0	0	109.1	I537 K538 V627 I689	I537-H691 PolarHBondContact N-O 3.3Å; K538-H691 VanDerWaalsContact CE-CD2 3.43Å; K538-H691 WeakPolarHBondContact CE-CD2 3.47Å; K538-H691 HydrophobicContact CG-CB 3.83Å; K538-H691 PolarHBondContact N-O 3.47Å; K538-H691 PolarHBondContact O-N 2.95Å; V627-H691 HydrophobicContact CG1-CB 4.28Å; I689-H691 WeakPolarHBondContact CG2-NE2 3.37Å
692	Y	98.4	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.3	-175	68.6	-84.6	0	0	0	111.2	F525 F534 R535 H617 H628 M630 I690	F525-Y692 HydrophobicContact CE1-CG 4.42Å; F525-Y692 AromaticContact CE2-CD1 3.9Å; F525-Y692 HydrophobicContact CE2-CD1 3.9Å; F525-Y692 HydrophobicContact CE2-CD2 4.5Å; F525-Y692 AromaticContact CE2-CE1 3.81Å; F525-Y692 HydrophobicContact CE2-CE1 3.81Å; F525-Y692 HydrophobicContact CE2-CE2 4.41Å; F525-Y692 HydrophobicContact CE2-CG 4.24Å; F525-Y692 AromaticContact CZ-CD1 3.77Å; F525-Y692 HydrophobicContact CZ-CD1 3.77Å; F525-Y692 AromaticContact CZ-CD2 3.67Å; F525-Y692 HydrophobicContact CZ-CD2 3.67Å; F525-Y692 AromaticContact CZ-CE1 3.94Å; F525-Y692 HydrophobicContact CZ-CE1 3.94Å; F525-Y692 AromaticContact CZ-CE2 3.83Å; F525-Y692 HydrophobicContact CZ-CE2 3.83Å; F525-Y692 AromaticContact CZ-CG 3.62Å; F525-Y692 HydrophobicContact CZ-CG 3.62Å; F525-Y692 AromaticContact CZ-CZ 3.95Å; F534-Y692 HydrophobicContact CB-CD2 4.19Å; F534-Y692 AromaticContact CD1-CD2 3.85Å; F534-Y692 HydrophobicContact CD1-CD2 3.85Å; F534-Y692 AromaticContact CD1-CE2 3.94Å; F534-Y692 HydrophobicContact CD1-CE2 3.94Å; F534-Y692 HydrophobicContact CE1-CE2 4.4Å; F534-Y692 HydrophobicContact CG-CD2 4.27Å; F534-Y692 HydrophobicContact CG-CE2 4.41Å; R535-Y692 CarbonylContact O-C 3.49Å; R535-Y692 VanDerWaalsContact O-CA 3.23Å; R535-Y692 WeakPolarHBondContact O-CA 3.23Å; R535-Y692 VanDerWaalsContact O-CB 3.32Å; R535-Y692 WeakPolarHBondContact O-CB 3.31Å; H617-Y692 WeakPolarHBondContact CB-OH 3.41Å; H617-Y692 AromaticContact ND1-CE2 3.97Å; H617-Y692 AromaticContact ND1-CZ 3.91Å; H617-Y692 PolarHBondContact ND1-OH 3.3Å; H628-Y692 HydrophobicContact CB-CD1 4Å; H628-Y692 HydrophobicContact CB-CD2 3.98Å; H628-Y692 HydrophobicContact CB-CE1 3.63Å; H628-Y692 HydrophobicContact CB-CE2 3.63Å; H628-Y692 HydrophobicContact CB-CG 4.17Å; H628-Y692 VanDerWaalsContact CB-CZ 3.46Å; H628-Y692 AromaticContact CG-CE2 4Å; H628-Y692 PolarHBondContact N-O 2.85Å; H628-Y692 PolarHBondContact O-N 2.87Å; M630-Y692 HydrophobicContact CB-CE1 4.03Å; M630-Y692 HydrophobicContact CE-CE1 3.98Å; M630-Y692 VanDerWaalsContact CE-OH 3.32Å; M630-Y692 WeakPolarHBondContact CE-OH 3.45Å; I690-Y692 HydrophobicContact CG2-CD1 4.24Å
693	E	97.4	Very high	96.8	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.159	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.6	178.5	60	-176.7	-162.7	0	0	110.9	F534 R535 I537	F534-E693 CarbonylContact C-O 3.47Å; F534-E693 WeakPolarHBondContact CA-O 3.44Å; R535-E693 HydrophobicContact CG-CG 3.89Å; R535-E693 IonicContact CZ-OE1 3.43Å; R535-E693 PolarHBondContact N-O 3.27Å; R535-E693 IonicContact NE-OE1 2.61Å; R535-E693 PolarHBondContact NE-OE1 3.36Å; R535-E693 IonicContact NH2-OE1 2.82Å; R535-E693 PolarHBondContact NH2-OE1 3.42Å; R535-E693 PolarHBondContact O-N 2.86Å; I537-E693 HydrophobicContact CD1-CB 4.02Å; I537-E693 HydrophobicContact CD1-CG 3.81Å; I537-E693 HydrophobicContact CG1-CG 3.85Å
694	E	96.8	Very high	96.8	Very high	96 Å²	96	23.8 Å²	23.8	45%	0.449	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.9	165.4	-177.4	174.6	-149.2	0	0	109.7	K533 F534 R622 P696	K533-E694 CarbonylContact O-C 3.59Å; K533-E694 WeakPolarHBondContact O-CA 3.15Å; F534-E694 HydrophobicContact CD1-CB 4.34Å; F534-E694 HydrophobicContact CE1-CB 4.14Å; R622-E694 IonicContact CZ-OE2 2.82Å; R622-E694 IonicContact NH1-OE2 3.12Å; R622-E694 PolarHBondContact NH1-OE2 2.73Å; R622-E694 VanDerWaalsContact NH1-OE2 3.08Å; R622-E694 IonicContact NH2-OE2 2.73Å; R622-E694 PolarHBondContact NH2-OE2 2.64Å; E694-P696 VanDerWaalsContact O-CD 3.28Å; E694-P696 WeakPolarHBondContact O-CD 3.44Å
695	V	96.4	Very high	96.8	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.055	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-63.7	118.4	-178.9	-179.9	0	0	0	0	109.1	Q309 R312 L313 K533 R535 N697	Q309-V695 HydrophobicContact CG-CG1 4.07Å; R312-V695 HydrophobicContact CB-CG1 4.17Å; R312-V695 HydrophobicContact CB-CG2 4.47Å; L313-V695 HydrophobicContact CD2-CB 4.44Å; L313-V695 HydrophobicContact CD2-CG1 3.85Å; L313-V695 HydrophobicContact CG-CG1 3.93Å; K533-V695 PolarHBondContact O-N 3.37Å; R535-V695 HydrophobicContact CB-CG2 4.33Å; V695-N697 PolarHBondContact O-N 2.59Å
696	P	94.9	Very high	96.7	Very high	46 Å²	46	26.8 Å²	26.8	30%	0.299	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-65.1	125	-174.6	-22.8	34	0	0	0	111.4	Q309 E694 T698	Q309-P696 PolarHBondContact NE2-O 2.77Å; E694-P696 VanDerWaalsContact O-CD 3.28Å; E694-P696 WeakPolarHBondContact O-CD 3.44Å; P696-T698 PolarHBondContact O-N 3.32Å
697	N	95.1	Very high	96.6	Very high	55 Å²	55	28.5 Å²	28.5	29%	0.294	16%	0.161	S	C	.	.	S	Bend	trans	-75.7	41	175	-161.8	21.8	0	0	0	112.4	Q321 V322 R323 V695	Q321-N697 PolarHBondContact O-ND2 2.98Å; V322-N697 WeakPolarHBondContact CA-OD1 3.46Å; V322-N697 WeakPolarHBondContact CB-OD1 3.39Å; V322-N697 VanDerWaalsContact CG2-OD1 3.32Å; V322-N697 WeakPolarHBondContact CG2-OD1 3.49Å; R323-N697 PolarHBondContact N-O 2.97Å; V695-N697 PolarHBondContact O-N 2.59Å
698	T	96.4	Very high	96.5	Very high	40 Å²	40	28.9 Å²	28.9	25%	0.245	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	112.9	175.4	-55.7	0	0	0	0	109	Q309 R323 K325 P696	Q309-T698 PolarHBondContact NE2-O 2.8Å; R323-T698 HydrophobicContact CB-CG2 4.19Å; R323-T698 PolarHBondContact NE-OG1 2.84Å; R323-T698 PolarHBondContact NH2-OG1 2.86Å; R323-T698 CarbonylContact O-C 3.46Å; R323-T698 VanDerWaalsContact O-CA 3.23Å; R323-T698 WeakPolarHBondContact O-CA 3.44Å; K325-T698 HydrophobicContact CB-CG2 4.38Å; P696-T698 PolarHBondContact O-N 3.32Å
699	V	96.5	Very high	96.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.1	-173.2	179.8	0	0	0	0	109	S306 Q309 L310 L313 V322 R323 L324 K325 V701	S306-V699 WeakPolarHBondContact OG-CG1 3.3Å; Q309-V699 HydrophobicContact CG-CG2 4.15Å; L310-V699 HydrophobicContact CB-CG1 4.38Å; L310-V699 HydrophobicContact CD1-CG2 4.31Å; L313-V699 HydrophobicContact CD1-CG2 3.73Å; V322-V699 HydrophobicContact CG2-CG2 3.87Å; R323-V699 PolarHBondContact O-N 3.09Å; L324-V699 CarbonylContact C-O 3.46Å; L324-V699 WeakPolarHBondContact CA-O 3.02Å; L324-V699 HydrophobicContact CD2-CB 3.98Å; K325-V699 PolarHBondContact N-O 3.12Å; V699-V701 HydrophobicContact CG1-CG1 4.33Å
700	A	94.9	Very high	96.1	Very high	55 Å²	55	33.2 Å²	33.2	46%	0.455	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132	170	0	0	0	0	0	109.3	S306 K325	S306-A700 WeakPolarHBondContact CB-O 3.24Å; S306-A700 PolarHBondContact OG-O 3.48Å; K325-A700 WeakPolarHBondContact O-CA 3.31Å
701	V	89.8	Confident	95.9	Very high	36 Å²	36	36.2 Å²	36.2	22%	0.218	21%	0.209	C	C	.	.			trans	-123.1	0	176.2	-60.3	0	0	0	0	111	I291 I302 L324 K325 Y326 F331 V699	I291-V701 HydrophobicContact CD1-CG2 4.24Å; I302-V701 HydrophobicContact CD1-CB 4.45Å; I302-V701 HydrophobicContact CD1-CG1 3.79Å; I302-V701 HydrophobicContact CG1-CB 4.2Å; I302-V701 HydrophobicContact CG1-CG1 4.02Å; I302-V701 HydrophobicContact CG2-CG1 4.15Å; L324-V701 HydrophobicContact CB-CG1 4.19Å; L324-V701 HydrophobicContact CB-CG2 4.09Å; L324-V701 HydrophobicContact CD1-CG1 4.24Å; L324-V701 HydrophobicContact CD2-CG1 3.93Å; L324-V701 HydrophobicContact CG-CG1 4.34Å; K325-V701 PolarHBondContact O-N 3.19Å; Y326-V701 HydrophobicContact CD2-CG2 4.49Å; Y326-V701 WeakPolarHBondContact CD2-O 3.47Å; F331-V701 HydrophobicContact CE2-CG2 4.45Å; F331-V701 HydrophobicContact CZ-CG2 4Å; V699-V701 HydrophobicContact CG1-CG1 4.33Å

Retrieved 701 of 701 residues in 715.3 ms (Link to these results)

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