A0A087XAB8_POEFO Loading...

TatD DNase domain containing 2

AlphaFold DB , UniProt , Accession A0A087XAB8, 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	42.5	Very low	33.6	Very low	239 Å²	239	174.8 Å²	174.8	100%	1.177	87%	0.872	S	S	*	*				0	135.7	0	-72.5	165.8	164.1	0	0	106.8
2	D	31.1	Very low	33.2	Very low	172 Å²	172	180.4 Å²	180.4	92%	0.92	88%	0.876	S	S	*	*			trans	-174.7	138.5	146.3	-98.8	-29.8	0	0	0	108.5
3	N	34.9	Very low	33	Very low	155 Å²	155	178.1 Å²	178.1	83%	0.829	87%	0.868	S	S	*	*			trans	-142.4	83	-158.2	-159.9	3.9	0	0	0	112.8
4	A	37.3	Very low	32.9	Very low	102 Å²	102	179.1 Å²	179.1	84%	0.843	87%	0.87	S	S	*	*			trans	-120	42.4	-170.9	0	0	0	0	0	114.3	K6	A4-K6 PolarHBondContact O-N 2.72Å
5	R	37.9	Very low	32.8	Very low	236 Å²	236	175.7 Å²	175.7	89%	0.891	86%	0.864	S	S	*	*			trans	-81.9	104.5	169.5	-82.9	-173	172.6	-179.4	-1.3	111.1	K7	R5-K7 PolarHBondContact O-N 2.78Å
6	K	37.5	Very low	32.7	Very low	203 Å²	203	170.1 Å²	170.1	88%	0.883	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-60	117.6	167.1	-68.9	-177.5	178	180	0	109.6	A4	A4-K6 PolarHBondContact O-N 2.72Å
7	K	30	Very low	32.5	Very low	209 Å²	209	166.1 Å²	166.1	91%	0.909	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-70.9	126.8	168.7	-82.6	-176.5	174.3	178.8	0	109.3	R5	R5-K7 PolarHBondContact O-N 2.78Å
8	V	31.1	Very low	32.3	Very low	118 Å²	118	164.2 Å²	164.2	72%	0.715	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-95.2	118.8	162	-179.9	0	0	0	0	107.2	F10	V8-F10 HydrophobicContact CG1-CD2 4.24Å; V8-F10 HydrophobicContact CG1-CE2 3.77Å; V8-F10 HydrophobicContact CG1-CZ 4.31Å
9	S	27.8	Very low	32.3	Very low	112 Å²	112	163.9 Å²	163.9	78%	0.783	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-100.5	116.3	177.8	54.3	0	0	0	0	110.7
10	F	31.9	Very low	32.2	Very low	174 Å²	174	161.7 Å²	161.7	76%	0.763	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-86	123.3	168.7	-73.5	-92	0	0	0	109.7	V8	V8-F10 HydrophobicContact CG1-CD2 4.24Å; V8-F10 HydrophobicContact CG1-CE2 3.77Å; V8-F10 HydrophobicContact CG1-CZ 4.31Å
11	K	27.7	Very low	32	Very low	203 Å²	203	165.8 Å²	165.8	88%	0.883	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-76.2	120.3	166.5	-82.5	-172.2	173.7	-176.4	0	108.7
12	W	29.1	Very low	31.3	Very low	242 Å²	242	163.8 Å²	163.8	92%	0.917	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-81.1	132.3	163.1	-68.8	80.6	0	0	0	108.7
13	I	30.3	Very low	31.1	Very low	150 Å²	150	160.5 Å²	160.5	77%	0.769	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-96.4	123.8	166.8	-63.3	177.3	0	0	0	106.6
14	Q	32	Very low	30.7	Very low	192 Å²	192	159.6 Å²	159.6	90%	0.897	84%	0.84	S	S	*	*			trans	-113	92	-176	-171.6	176.9	14.8	0	0	109.4	A16	Q14-A16 PolarHBondContact O-N 3.44Å
15	T	30.9	Very low	30.3	Very low	128 Å²	128	163.8 Å²	163.8	79%	0.785	84%	0.842	S	S	*	*			trans	-85.9	107	178.5	-48.9	0	0	0	0	109.9
16	A	30.6	Very low	29.8	Very low	86 Å²	86	157.5 Å²	157.5	71%	0.711	83%	0.834	S	S	*	*			trans	-79.5	130.8	169.9	0	0	0	0	0	110.2	Q14	Q14-A16 PolarHBondContact O-N 3.44Å
17	A	29.7	Very low	29.4	Very low	103 Å²	103	156.2 Å²	156.2	85%	0.851	84%	0.837	S	S	*	*			trans	-95.9	108.4	175.5	0	0	0	0	0	110.3
18	T	29.4	Very low	29.3	Very low	131 Å²	131	150.6 Å²	150.6	80%	0.804	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-88.1	122.7	178.1	-47.1	0	0	0	0	110.1
19	L	31.1	Very low	29.2	Very low	160 Å²	160	151.1 Å²	151.1	84%	0.838	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-71.3	130.2	174.4	-81.2	164.1	0	0	0	111.1
20	P	31.9	Very low	29.1	Very low	119 Å²	119	150.6 Å²	150.6	77%	0.773	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-64.1	133.5	169.8	-21.3	33.7	0	0	0	111.6
21	R	26.6	Very low	28.9	Very low	247 Å²	247	149.9 Å²	149.9	93%	0.932	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-88.3	125.2	158.3	-89.7	174.7	147.7	-174.2	-6.4	108
22	E	28.5	Very low	29	Very low	197 Å²	197	146.1 Å²	146.1	92%	0.921	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-104	146.5	153.4	-68.1	-163.9	144.8	0	0	109.5
23	A	26.6	Very low	29.8	Very low	103 Å²	103	139.7 Å²	139.7	85%	0.851	82%	0.821	S	S	*	*			trans	-126.1	128.1	178.9	0	0	0	0	0	108.7
24	C	27.4	Very low	29.9	Very low	137 Å²	137	137.3 Å²	137.3	93%	0.926	82%	0.818	S	S	*	*			trans	-130.9	157.7	170.5	-151	0	0	0	0	109.9
25	Q	28.3	Very low	29.6	Very low	190 Å²	190	135 Å²	135	89%	0.888	81%	0.812	S	S	*	*			trans	-92.8	167.5	-149.9	-67.8	179.7	-9.9	0	0	115.2
26	S	28.2	Very low	29.3	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	81%	0.812	S	S	*	*			trans	-63.7	150.5	-177.3	53.3	0	0	0	0	115.1
27	N	27.4	Very low	29.2	Very low	176 Å²	176	135.7 Å²	135.7	94%	0.941	82%	0.815	S	S	*	*			trans	-147.8	158.1	132.8	-100.9	-41.4	0	0	0	110.3
28	A	29.5	Very low	29.2	Very low	91 Å²	91	139.8 Å²	139.8	75%	0.752	81%	0.814	S	S	*	*			trans	-119.7	157.8	-161.7	0	0	0	0	0	114.2
29	S	27.4	Very low	29.6	Very low	130 Å²	130	139.8 Å²	139.8	91%	0.909	82%	0.816	S	S	*	*			trans	-170	165.6	139.9	30.1	0	0	0	0	110.5
30	C	27	Very low	29.5	Very low	100 Å²	100	136.3 Å²	136.3	68%	0.676	81%	0.805	S	S	*	*			trans	-108.3	159.1	-170.1	-159.4	0	0	0	0	111.7
31	N	26.7	Very low	29.5	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	81%	0.806	S	S	*	*				-177.1	142.9	121.1	-86.6	-20.8	0	0	0	112.6
32	T	29.8	Very low	29.5	Very low	123 Å²	123	130.3 Å²	130.3	76%	0.755	80%	0.795	S	S	*	*			trans	-105.1	-173.8	174.8	45.2	0	0	0	0	108.8
33	P	47	Very low	29.5	Very low	107 Å²	107	127 Å²	127	70%	0.695	78%	0.784	S	S	*	*			cis	-148.3	-166	17.1	44.9	-23.2	0	0	0	118.4
34	S	31	Very low	29.6	Very low	100 Å²	100	128.6 Å²	128.6	70%	0.699	78%	0.783	S	S	*	*			trans	81.9	144.3	147.2	71.2	0	0	0	0	118.9
35	D	26.6	Very low	29.7	Very low	145 Å²	145	127.7 Å²	127.7	78%	0.775	78%	0.778	S	S	*	*			cis	-158.2	168	-1.7	-133	-37.6	0	0	0	116.9
36	C	24.7	Very low	29.6	Very low	117 Å²	117	122.3 Å²	122.3	79%	0.791	77%	0.774	S	S	*	*			trans	62.2	154.4	147.5	-81.7	0	0	0	0	124.5
37	S	28.2	Very low	29.9	Very low	110 Å²	110	127 Å²	127	77%	0.769	78%	0.782	S	S	*	*			trans	-131.5	153.6	-164.4	-53.5	0	0	0	0	114.6
38	K	29	Very low	30.5	Very low	190 Å²	190	124 Å²	124	83%	0.826	77%	0.772	S	S	*	*			trans	64.2	150.9	156.8	-71.2	-172.7	174	-175.2	0	119.2
39	P	38.8	Very low	30.4	Very low	130 Å²	130	127.2 Å²	127.2	84%	0.844	78%	0.776	S	S	*	*				-123.8	-158.6	94.3	4.5	18.4	0	0	0	114.3
40	S	28.4	Very low	30.5	Very low	87 Å²	87	125.2 Å²	125.2	61%	0.608	76%	0.762	S	S	*	*			trans	-157.9	174.1	174.4	56.3	0	0	0	0	113.7
41	H	32.4	Very low	30.4	Very low	172 Å²	172	127.3 Å²	127.3	80%	0.796	77%	0.767	S	S	*	*			trans	74.6	150	-178.7	-50.6	-78.1	0	0	0	115.5	D43	H41-D43 IonicContact ND1-OD2 3.74Å
42	G	26.1	Very low	30.8	Very low	68 Å²	68	125.3 Å²	125.3	70%	0.701	77%	0.765	S	S	*	*			cis	174.8	-176.8	-0	0	0	0	0	0	109.6
43	D	29.7	Very low	31.5	Very low	127 Å²	127	125.8 Å²	125.8	68%	0.679	77%	0.77	S	S	*	*			cis	-173.9	171.7	-17.1	-106.5	-63.2	0	0	0	108.6	H41	H41-D43 IonicContact ND1-OD2 3.74Å
44	T	28.6	Very low	30.5	Very low	138 Å²	138	124.6 Å²	124.6	85%	0.847	78%	0.777	S	S	*	*			trans	66.7	159.5	175	64.9	0	0	0	0	118.6
45	S	29.8	Very low	30.6	Very low	117 Å²	117	125.4 Å²	125.4	82%	0.818	78%	0.783	S	S	*	*			cis	-173.6	152.2	-28.1	57.1	0	0	0	0	111.5
46	G	25.1	Very low	30.9	Very low	78 Å²	78	125.8 Å²	125.8	80%	0.804	78%	0.78	S	S	*	*			trans	137.7	131.3	153.8	0	0	0	0	0	119.1
47	F	33.9	Very low	31	Very low	201 Å²	201	130.9 Å²	130.9	88%	0.882	78%	0.783	S	S	*	*			trans	-111.6	159	163.6	-80.1	-87.6	0	0	0	109.8
48	P	41.1	Very low	31.2	Very low	113 Å²	113	134.1 Å²	134.1	73%	0.734	79%	0.791	S	S	*	*				-134.5	166.3	99.3	32.7	-15.4	0	0	0	111.7
49	L	28.1	Very low	31.1	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	79%	0.788	S	S	*	*				56.6	134.5	56.9	-75.9	159.5	0	0	0	112
50	S	27.6	Very low	30.7	Very low	88 Å²	88	126.6 Å²	126.6	62%	0.615	78%	0.782	S	S	*	*			cis	-155.7	-171.5	11	-176.7	0	0	0	0	111
51	D	25.1	Very low	30.7	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	80%	0.797	S	S	*	*			trans	98.8	120.9	149.1	-56.4	-15.6	0	0	0	120.6
52	S	36.9	Very low	30.4	Very low	118 Å²	118	127.5 Å²	127.5	83%	0.825	79%	0.793	S	S	*	*			trans	-117.8	144.7	151.2	-60.8	0	0	0	0	107.4
53	P	43.9	Very low	30.8	Very low	133 Å²	133	132.1 Å²	132.1	86%	0.864	80%	0.801	S	S	*	*				-149.9	166.2	113.4	38.2	-23.1	0	0	0	114.7
54	G	26.4	Very low	30.8	Very low	82 Å²	82	133.4 Å²	133.4	85%	0.845	81%	0.807	S	S	*	*			trans	164.1	119	166.3	0	0	0	0	0	113.3
55	S	32	Very low	31	Very low	117 Å²	117	132.1 Å²	132.1	82%	0.818	80%	0.8	S	S	*	*			trans	-141.6	171.8	177.9	-171.5	0	0	0	0	110.4
56	E	32.2	Very low	31.5	Very low	152 Å²	152	132.7 Å²	132.7	71%	0.71	80%	0.801	S	S	*	*			trans	71.4	151.7	-177.3	-59.4	-167.1	-146.1	0	0	115.1
57	R	28.2	Very low	31.7	Very low	225 Å²	225	138.2 Å²	138.2	85%	0.849	80%	0.803	S	S	*	*			cis	-147.4	172.6	15.3	-144.1	160	-156.2	-117.6	1.8	114.1
58	L	32	Very low	31.6	Very low	178 Å²	178	139.8 Å²	139.8	93%	0.932	80%	0.803	S	S	*	*			trans	-87.5	149.8	-168	-71	156.9	0	0	0	116.2
59	G	27	Very low	31.1	Very low	74 Å²	74	142 Å²	142	76%	0.763	80%	0.801	S	S	*	*			trans	130.4	160	139.5	0	0	0	0	0	116.7
60	A	30	Very low	31.2	Very low	88 Å²	88	138 Å²	138	73%	0.727	79%	0.791	S	S	*	*			cis	-176.1	131.5	-22.6	0	0	0	0	0	109.5
61	L	28	Very low	31.5	Very low	175 Å²	175	141 Å²	141	92%	0.916	79%	0.794	S	S	*	*			trans	62.9	164.1	165.7	-51.1	171.6	0	0	0	115.7
62	S	26.4	Very low	31.6	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	79%	0.794	S	S	*	*			cis	-139.7	155.6	-13.5	-160.9	0	0	0	0	109.9
63	L	34.1	Very low	31.3	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	79%	0.792	S	S	*	*			trans	-81.9	147.3	153.2	-72.3	167	0	0	0	108.8
64	D	29.9	Very low	30.8	Very low	153 Å²	153	138.6 Å²	138.6	82%	0.818	78%	0.781	S	S	*	*			trans	-154.1	164.5	151.7	-141.3	-23.4	0	0	0	113
65	T	32.9	Very low	31	Very low	112 Å²	112	142.6 Å²	142.6	69%	0.687	78%	0.778	S	S	*	*			trans	-131.5	167.6	-177.9	62.2	0	0	0	0	110.4
66	P	39.7	Very low	31	Very low	129 Å²	129	142.3 Å²	142.3	84%	0.838	78%	0.776	S	S	*	*			trans	-116.6	121	155.9	31.8	-21.6	0	0	0	112.6
67	K	30.4	Very low	31.2	Very low	194 Å²	194	141.7 Å²	141.7	84%	0.843	78%	0.782	S	S	*	*			trans	-147.9	124.3	165.8	-98.6	-171.9	178.3	176.3	0	110.3
68	R	31.4	Very low	32.4	Very low	234 Å²	234	136.5 Å²	136.5	88%	0.883	78%	0.778	S	S	*	*			trans	155.5	130.7	148.8	-87.2	158.3	-171.9	-149	0.7	108.8
69	K	30.9	Very low	32.4	Very low	160 Å²	160	133.9 Å²	133.9	70%	0.696	77%	0.774	S	S	*	*				68.3	142.1	70.5	-80.4	-172.2	153.9	-86.4	0	113	E71	K69-E71 IonicContact NZ-OE1 2.72Å; K69-E71 PolarHBondContact NZ-OE1 2.88Å; K69-E71 IonicContact NZ-OE2 2.78Å; K69-E71 PolarHBondContact NZ-OE2 3.23Å
70	A	31.1	Very low	32.6	Very low	74 Å²	74	135.2 Å²	135.2	61%	0.612	78%	0.778	S	S	*	*			cis	-173.3	-160	-15.2	0	0	0	0	0	108.6
71	E	33	Very low	32.5	Very low	149 Å²	149	134.4 Å²	134.4	70%	0.696	78%	0.778	S	S	*	*			cis	-155.8	-137.3	2.9	-142.2	107.6	-117.8	0	0	107.1	K69	K69-E71 IonicContact NZ-OE1 2.72Å; K69-E71 PolarHBondContact NZ-OE1 2.88Å; K69-E71 IonicContact NZ-OE2 2.78Å; K69-E71 PolarHBondContact NZ-OE2 3.23Å
72	V	28.2	Very low	32.8	Very low	128 Å²	128	136.1 Å²	136.1	78%	0.776	78%	0.778	S	S	*	*			trans	108.1	98.7	156.5	-175	0	0	0	0	119
73	V	30.2	Very low	33	Very low	129 Å²	129	136.1 Å²	136.1	78%	0.782	79%	0.785	S	S	*	*			trans	49.6	127.8	137.4	-178.9	0	0	0	0	119.4
74	S	32.7	Very low	33.1	Very low	90 Å²	90	137.7 Å²	137.7	63%	0.629	78%	0.784	S	S	*	*			cis	-168.5	-158.9	-7.7	52.4	0	0	0	0	108.4
75	E	30.4	Very low	33.1	Very low	165 Å²	165	137.9 Å²	137.9	77%	0.771	79%	0.785	S	S	*	*			cis	-164.3	170.1	1.6	-145.7	150.7	-68.4	0	0	113.9
76	S	33.2	Very low	33	Very low	111 Å²	111	143 Å²	143	78%	0.776	79%	0.791	S	S	*	*			trans	70.8	149.3	159.9	76.5	0	0	0	0	120.8
77	V	34.8	Very low	32.7	Very low	139 Å²	139	147.1 Å²	147.1	84%	0.842	80%	0.796	S	S	*	*			trans	-165.5	160.1	-159.9	158.7	0	0	0	0	108.3
78	P	55.3	Low	32.8	Very low	117 Å²	117	145.4 Å²	145.4	76%	0.76	80%	0.795	S	S	*	*			cis	-127	-170.7	-2.6	42.7	-27.6	0	0	0	114.9
79	S	30.4	Very low	32.8	Very low	123 Å²	123	139.2 Å²	139.2	86%	0.86	79%	0.788	S	S	*	*				175.3	172.7	113.5	-158.8	0	0	0	0	114.5
80	A	32	Very low	32.8	Very low	101 Å²	101	142.6 Å²	142.6	84%	0.835	80%	0.796	S	S	*	*			trans	-62.9	170.9	-170.5	0	0	0	0	0	117.5
81	G	27.8	Very low	32.9	Very low	71 Å²	71	148 Å²	148	73%	0.732	81%	0.806	S	S	*	*			cis	163.1	152.2	-8.3	0	0	0	0	0	115
82	K	34.3	Very low	32.8	Very low	211 Å²	211	147.4 Å²	147.4	92%	0.917	81%	0.808	S	S	*	*			trans	30	123.6	163.8	-58.9	177.9	-176.1	174.7	0	120.9
83	A	29.9	Very low	33	Very low	104 Å²	104	145.4 Å²	145.4	86%	0.86	80%	0.799	S	S	*	*				170.2	156.4	109.5	0	0	0	0	0	114.7
84	K	36	Very low	33.2	Very low	198 Å²	198	147.9 Å²	147.9	86%	0.861	80%	0.802	S	S	*	*			trans	-97.7	157.6	163.9	-63.4	172.9	176.5	175.8	0	109.3
85	L	29.9	Very low	33.1	Very low	157 Å²	157	148.2 Å²	148.2	82%	0.822	80%	0.8	S	S	*	*				-172.9	171	125.8	-104.5	166	0	0	0	115.6
86	R	32.3	Very low	33	Very low	220 Å²	220	149.1 Å²	149.1	83%	0.83	80%	0.802	S	S	*	*			trans	-67.4	164.7	-171.5	-61	155.5	175.1	156.1	-5.4	114.1
87	K	33.4	Very low	32.7	Very low	214 Å²	214	152.6 Å²	152.6	93%	0.93	80%	0.803	S	S	*	*			trans	-122.3	149.6	152.4	-93.7	-172.5	173.6	-178.7	0	111.2
88	L	31.9	Very low	32.5	Very low	158 Å²	158	149.7 Å²	149.7	83%	0.827	79%	0.794	S	S	*	*			trans	-150.2	139.3	-177.1	-116.2	174.6	0	0	0	110.4
89	S	30.5	Very low	31.4	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	80%	0.795	S	S	*	*			trans	69.5	164.2	149.8	-152.3	0	0	0	0	121.1
90	R	31.6	Very low	31.3	Very low	232 Å²	232	154.7 Å²	154.7	88%	0.875	79%	0.794	S	S	*	*			trans	62.3	118.7	175.9	-64.6	179.8	173.1	168.8	-3.1	115.9
91	K	33.2	Very low	31.1	Very low	187 Å²	187	154.9 Å²	154.9	81%	0.813	79%	0.789	S	S	*	*			cis	85.1	130.4	20.5	-150.9	-157.9	176.8	-177.8	0	114.8
92	N	30.9	Very low	31.3	Very low	137 Å²	137	158.9 Å²	158.9	73%	0.733	79%	0.793	S	S	*	*			trans	70.9	148.2	179.4	-65.9	20.1	0	0	0	115.2
93	S	32.6	Very low	32	Very low	85 Å²	85	154.3 Å²	154.3	59%	0.594	79%	0.785	S	S	*	*			cis	-174.7	152.6	-15.3	46.7	0	0	0	0	111
94	E	33.3	Very low	32.2	Very low	181 Å²	181	154.4 Å²	154.4	85%	0.846	78%	0.779	S	S	*	*			trans	59.4	145.6	140	-74.5	175.6	-152.6	0	0	121.8
95	T	31.5	Very low	32	Very low	97 Å²	97	149.4 Å²	149.4	60%	0.595	78%	0.775	S	S	*	*			cis	-160.6	163.3	-17.3	-46.8	0	0	0	0	109.8
96	F	27.9	Very low	32.2	Very low	184 Å²	184	151 Å²	151	81%	0.807	78%	0.778	S	S	*	*			trans	70.3	158.7	164.3	-69.8	-65	0	0	0	117.1
97	K	27.2	Very low	32.1	Very low	184 Å²	184	147.6 Å²	147.6	80%	0.8	78%	0.775	S	S	*	*			cis	-153.4	129	10	-138.3	165.3	-170.7	175.3	0	113.7
98	A	30.6	Very low	32.1	Very low	79 Å²	79	147.4 Å²	147.4	65%	0.653	77%	0.768	S	S	*	*			trans	55.8	121	133.2	0	0	0	0	0	126
99	I	31.1	Very low	32.3	Very low	152 Å²	152	145.5 Å²	145.5	78%	0.779	76%	0.755	S	S	*	*				96.6	142.4	121	-72.5	173.5	0	0	0	122.8
100	K	28.6	Very low	32.4	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.835	75%	0.753	S	S	*	*			trans	75	147.1	168.1	-83.6	172	179.2	-178	0	118.6
101	S	29.3	Very low	32.5	Very low	105 Å²	105	142.3 Å²	142.3	73%	0.734	74%	0.743	S	S	*	*			cis	-169.8	157.1	-26.2	42.8	0	0	0	0	111.8
102	L	30.7	Very low	32.3	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	74%	0.743	S	S	*	*			trans	-72.8	173.8	172.5	-118.6	75.5	0	0	0	112.8
103	P	49.8	Very low	32.3	Very low	115 Å²	115	140 Å²	140	75%	0.747	74%	0.742	S	S	*	*			cis	-150.8	166.6	45.2	41.9	-19.9	0	0	0	121.7
104	S	32.9	Very low	33.5	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	75%	0.745	S	S	*	*			trans	25.2	142.3	142.8	-47.8	0	0	0	0	126.1
105	A	33.4	Very low	33.3	Very low	93 Å²	93	138.7 Å²	138.7	77%	0.769	74%	0.744	S	S	*	*				169.5	119.2	102.6	0	0	0	0	0	118.7
106	E	34.4	Very low	33.4	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	75%	0.752	S	S	*	*			trans	49.6	171.6	131.8	-56	-156	125.6	0	0	128.6
107	I	30	Very low	33.6	Very low	149 Å²	149	138.5 Å²	138.5	76%	0.764	75%	0.751	S	S	*	*			trans	91.2	110	165.9	-55.7	178.4	0	0	0	115.8
108	R	31.9	Very low	33.7	Very low	209 Å²	209	138 Å²	138	79%	0.789	75%	0.751	S	S	*	*				77.9	145.9	64.5	-74.8	179.6	171.3	-130	15.6	114.3
109	Q	35.9	Very low	33.7	Very low	118 Å²	118	140.9 Å²	140.9	55%	0.551	76%	0.761	S	S	*	*			cis	-170.9	151.6	-9.8	-117.4	169.9	-53.2	0	0	111.5
110	Q	34.2	Very low	33.6	Very low	144 Å²	144	140.5 Å²	140.5	67%	0.673	76%	0.759	S	S	*	*			trans	63.2	160.8	144.9	-77	171.5	-86.4	0	0	120.9
111	D	32.8	Very low	34.3	Very low	125 Å²	125	136.3 Å²	136.3	67%	0.668	75%	0.752	S	S	*	*			cis	-161.8	-175.3	-2.9	-130.2	-33.2	0	0	0	116.3
112	E	29.8	Very low	34.1	Very low	175 Å²	175	137 Å²	137	82%	0.818	75%	0.752	S	S	*	*			trans	88.9	160.4	153.1	-70.7	-94.4	78.8	0	0	122.5
113	S	30	Very low	34	Very low	101 Å²	101	135 Å²	135	71%	0.706	75%	0.75	S	S	*	*			trans	-156.4	-151.3	-164.8	62.8	0	0	0	0	111.5
114	P	58.7	Low	33.2	Very low	103 Å²	103	138.6 Å²	138.6	67%	0.669	76%	0.757	S	S	*	*			cis	-139.2	-152.2	-5.5	35.8	-10.1	0	0	0	115.3
115	T	29	Very low	33.1	Very low	135 Å²	135	141.9 Å²	141.9	83%	0.828	76%	0.76	S	S	*	*			trans	83.8	145.9	166.3	69.8	0	0	0	0	120.6
116	S	33	Very low	33	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	76%	0.758	S	S	*	*			cis	-167.4	162.5	-29.1	-160.9	0	0	0	0	113.6
117	Q	32.6	Very low	32.8	Very low	171 Å²	171	142.1 Å²	142.1	80%	0.799	76%	0.755	S	S	*	*			trans	79.6	112.1	161.8	-54.6	-164.9	-6.2	0	0	123.2
118	H	30.3	Very low	32.9	Very low	172 Å²	172	142 Å²	142	80%	0.796	75%	0.754	S	S	*	*			trans	27.5	140.5	138.8	-64.6	-89.3	0	0	0	121.8
119	V	29.9	Very low	33.1	Very low	141 Å²	141	139.4 Å²	139.4	86%	0.855	76%	0.755	S	S	*	*				-148.2	165.4	55.4	163.8	0	0	0	0	113
120	L	29.1	Very low	33	Very low	144 Å²	144	143.3 Å²	143.3	75%	0.754	77%	0.77	S	S	*	*			trans	-108.1	176.9	-174	-83.9	162.8	0	0	0	112.2
121	P	42	Very low	33.4	Very low	103 Å²	103	146.1 Å²	146.1	67%	0.669	78%	0.78	S	S	*	*			cis	-139.2	161.2	14.8	42.4	-23.8	0	0	0	119.4
122	T	26.7	Very low	34.1	Very low	121 Å²	121	149 Å²	149	74%	0.742	79%	0.787	S	S	*	*			trans	45.7	119.7	145.9	57.3	0	0	0	0	122.5
123	S	27.5	Very low	35.2	Very low	112 Å²	112	149.2 Å²	149.2	78%	0.783	79%	0.787	S	S	*	*			trans	-127.3	157.6	138.2	70.3	0	0	0	0	109.6
124	H	33.8	Very low	36.8	Very low	191 Å²	191	153.8 Å²	153.8	88%	0.884	79%	0.789	S	S	*	*			trans	-83.9	136.5	-169.6	-80.5	-108	0	0	0	113.8
125	H	31.1	Very low	37.7	Very low	175 Å²	175	152.1 Å²	152.1	81%	0.81	78%	0.777	S	S	*	*			trans	-71.7	131.6	179.7	-76.8	-84.4	0	0	0	113.8
126	S	30.4	Very low	39.7	Very low	104 Å²	104	150.4 Å²	150.4	73%	0.727	77%	0.768	S	S	*	*			trans	-88.3	112.8	161.7	48.7	0	0	0	0	110.8	I128	S126-I128 PolarHBondContact O-N 2.99Å
127	F	30.1	Very low	41.6	Very low	185 Å²	185	151.3 Å²	151.3	81%	0.811	76%	0.761	S	S	*	*			trans	-81.3	97.5	178	-100.5	-89.5	0	0	0	111.9	L129	F127-L129 PolarHBondContact O-N 2.61Å
128	I	32.6	Very low	43.6	Very low	145 Å²	145	147.5 Å²	147.5	74%	0.744	74%	0.743	S	S	*	*			trans	-80.3	101.3	170.4	-60	178.8	0	0	0	109.5	S126 K130	S126-I128 PolarHBondContact O-N 2.99Å; I128-K130 PolarHBondContact O-N 3.21Å; I128-K130 VanDerWaalsContact O-N 3.1Å
129	L	36.5	Very low	45.7	Very low	156 Å²	156	140.6 Å²	140.6	82%	0.817	72%	0.719	S	S	*	*			trans	-72.4	98.5	170.8	-71.9	173.7	0	0	0	110.5	F127 K131	F127-L129 PolarHBondContact O-N 2.61Å; L129-K131 PolarHBondContact O-N 2.78Å
130	K	33.9	Very low	47.7	Very low	200 Å²	200	137.2 Å²	137.2	87%	0.87	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.7	168.5	-71.1	-175.3	176.8	-178.9	0	109.5	I128 K132	I128-K130 PolarHBondContact O-N 3.21Å; I128-K130 VanDerWaalsContact O-N 3.1Å; K130-K132 PolarHBondContact O-N 3.3Å
131	K	41.3	Very low	50.1	Low	202 Å²	202	138.3 Å²	138.3	88%	0.878	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-62.7	122.3	170	-76.5	-179.6	178.3	173.7	0	108.8	L129 E133	L129-K131 PolarHBondContact O-N 2.78Å; K131-E133 PolarHBondContact O-N 3.48Å
132	K	48.7	Very low	51.7	Low	186 Å²	186	135.8 Å²	135.8	81%	0.809	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-76.3	117.8	164.4	-174	-179.3	179.1	-172.3	0	107.9	K130	K130-K132 PolarHBondContact O-N 3.3Å
133	E	51.4	Low	54	Low	179 Å²	179	135.7 Å²	135.7	84%	0.836	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-65.7	142.8	171.3	-63.9	-174.5	137.9	0	0	109.9	K131	K131-E133 PolarHBondContact O-N 3.48Å
134	R	63.8	Low	55.9	Low	197 Å²	197	134.5 Å²	134.5	74%	0.743	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-97.1	143.7	177.7	-69.6	-173.6	-179.7	143.9	1.1	109.4	E138	R134-E138 WeakPolarHBondContact CA-OE2 3.48Å; R134-E138 HydrophobicContact CB-CB 4.16Å; R134-E138 WeakPolarHBondContact CB-OE2 3.43Å; R134-E138 WeakPolarHBondContact CG-OE2 3.3Å
135	T	78.4	Confident	57.7	Low	68 Å²	68	134.1 Å²	134.1	42%	0.417	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-72.9	159.9	176.6	79.4	0	0	0	0	110.9	E137 E138 G139	T135-E137 WeakPolarHBondContact CB-OE2 3.18Å; T135-E137 PolarHBondContact O-N 2.9Å; T135-E137 PolarHBondContact OG1-OE2 2.73Å; T135-E138 PolarHBondContact N-OE2 2.98Å; T135-E138 PolarHBondContact O-N 3.26Å; T135-E138 VanDerWaalsContact O-N 3.12Å; T135-E138 PolarHBondContact OG1-N 3.44Å; T135-G139 PolarHBondContact O-N 3.18Å; T135-G139 VanDerWaalsContact O-N 3.1Å
136	P	69.9	Low	59.6	Low	99 Å²	99	131.9 Å²	131.9	64%	0.643	65%	0.654	S	S	*	*	H	α-helix	trans	-54	-36.3	175.9	-27.3	36.9	0	0	0	112.9	G139 S140	P136-G139 PolarHBondContact O-N 2.96Å; P136-S140 PolarHBondContact O-N 3.32Å; P136-S140 PolarHBondContact O-OG 3.36Å
137	E	72.8	Confident	61.4	Low	127 Å²	127	129.7 Å²	129.7	59%	0.593	64%	0.642	S	S	*	*	H	α-helix	trans	-67.8	-39.4	178.7	-53.1	73.4	-158.8	0	0	112.1	T135 G139 S140 K141	T135-E137 WeakPolarHBondContact CB-OE2 3.18Å; T135-E137 PolarHBondContact O-N 2.9Å; T135-E137 PolarHBondContact OG1-OE2 2.73Å; E137-G139 VanDerWaalsContact C-N 3.33Å; E137-S140 PolarHBondContact O-N 2.89Å; E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 PolarHBondContact O-N 3.49Å
138	E	74.5	Confident	63.2	Low	90 Å²	90	126 Å²	126	42%	0.421	63%	0.63	S	S	.	*	H	α-helix	trans	-64	-39.8	173.3	-70.8	-170.5	141.6	0	0	111.3	R134 T135 A142	R134-E138 WeakPolarHBondContact CA-OE2 3.48Å; R134-E138 HydrophobicContact CB-CB 4.16Å; R134-E138 WeakPolarHBondContact CB-OE2 3.43Å; R134-E138 WeakPolarHBondContact CG-OE2 3.3Å; T135-E138 PolarHBondContact N-OE2 2.98Å; T135-E138 PolarHBondContact O-N 3.26Å; T135-E138 VanDerWaalsContact O-N 3.12Å; T135-E138 PolarHBondContact OG1-N 3.44Å; E138-A142 WeakPolarHBondContact O-CB 3.49Å; E138-A142 PolarHBondContact O-N 2.71Å
139	G	76.1	Confident	65.2	Low	28 Å²	28	123.8 Å²	123.8	29%	0.289	62%	0.619	S	S	.	*	H	α-helix	trans	-61	-53.6	173.1	0	0	0	0	0	112.2	T135 P136 E137 K141 A142 I143	T135-G139 PolarHBondContact O-N 3.18Å; T135-G139 VanDerWaalsContact O-N 3.1Å; P136-G139 PolarHBondContact O-N 2.96Å; E137-G139 VanDerWaalsContact C-N 3.33Å; G139-K141 VanDerWaalsContact C-N 3.34Å; G139-K141 PolarHBondContact O-N 2.97Å; G139-A142 PolarHBondContact O-N 2.85Å; G139-I143 WeakPolarHBondContact O-CG1 3.49Å; G139-I143 PolarHBondContact O-N 3.25Å
140	S	71.7	Confident	66.7	Low	69 Å²	69	120 Å²	120	48%	0.483	61%	0.61	S	S	.	*	H	α-helix	trans	-57.2	-44.9	176.9	-60.1	0	0	0	0	112	P136 E137 A142 I143 C144	P136-S140 PolarHBondContact O-N 3.32Å; P136-S140 PolarHBondContact O-OG 3.36Å; E137-S140 PolarHBondContact O-N 2.89Å; S140-A142 VanDerWaalsContact C-N 3.33Å; S140-A142 PolarHBondContact O-N 3.28Å; S140-I143 PolarHBondContact O-N 2.65Å; S140-C144 PolarHBondContact O-N 2.84Å; S140-C144 PolarHBondContact O-SG 2.78Å; S140-C144 VanDerWaalsContact O-SG 3.35Å
141	K	78.1	Confident	68.1	Low	168 Å²	168	114.4 Å²	114.4	73%	0.73	60%	0.601	S	S	*	*	H	α-helix	trans	-65.8	-34.7	179.4	-166.9	170.7	-173.8	173.8	0	112.3	E137 G139 R145	E137-K141 WeakPolarHBondContact O-CB 3.39Å; E137-K141 PolarHBondContact O-N 3.49Å; G139-K141 VanDerWaalsContact C-N 3.34Å; G139-K141 PolarHBondContact O-N 2.97Å; K141-R145 WeakPolarHBondContact O-CB 3.34Å; K141-R145 PolarHBondContact O-N 3.32Å
142	A	75.5	Confident	69.5	Low	49 Å²	49	110.3 Å²	110.3	41%	0.405	59%	0.588	S	S	.	*	H	α-helix	trans	-67.2	-43.3	172.6	0	0	0	0	0	112.1	E138 G139 S140 R145 M146	E138-A142 WeakPolarHBondContact O-CB 3.49Å; E138-A142 PolarHBondContact O-N 2.71Å; G139-A142 PolarHBondContact O-N 2.85Å; S140-A142 VanDerWaalsContact C-N 3.33Å; S140-A142 PolarHBondContact O-N 3.28Å; A142-R145 PolarHBondContact O-N 2.62Å; A142-M146 VanDerWaalsContact O-CG 3.3Å; A142-M146 WeakPolarHBondContact O-CG 3.4Å; A142-M146 PolarHBondContact O-N 2.78Å
143	I	75.1	Confident	69.4	Low	120 Å²	120	104.3 Å²	104.3	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-62.4	-49.3	176.9	-67.2	164.3	0	0	0	110.7	G139 S140 R145 M146 A147	G139-I143 WeakPolarHBondContact O-CG1 3.49Å; G139-I143 PolarHBondContact O-N 3.25Å; S140-I143 PolarHBondContact O-N 2.65Å; I143-R145 VanDerWaalsContact C-N 3.28Å; I143-R145 PolarHBondContact O-N 3.28Å; I143-M146 PolarHBondContact O-N 3.03Å; I143-M146 VanDerWaalsContact O-N 3.16Å; I143-A147 PolarHBondContact O-N 2.82Å
144	C	67.4	Low	69.1	Low	86 Å²	86	105.1 Å²	105.1	58%	0.581	58%	0.579	S	S	*	*	H	α-helix	trans	-60	-37	176.3	-66.7	0	0	0	0	112.3	S140 A147 L148	S140-C144 PolarHBondContact O-N 2.84Å; S140-C144 PolarHBondContact O-SG 2.78Å; S140-C144 VanDerWaalsContact O-SG 3.35Å; C144-A147 PolarHBondContact O-N 2.84Å; C144-L148 WeakPolarHBondContact O-CB 3.2Å; C144-L148 PolarHBondContact O-N 3.14Å
145	R	72.6	Confident	67.8	Low	184 Å²	184	101.8 Å²	101.8	69%	0.694	58%	0.581	S	S	*	*	H	α-helix	trans	-68.7	-37.8	176.2	-161.1	178.3	-166.8	-150.1	3.5	112.4	K141 A142 I143 I149	K141-R145 WeakPolarHBondContact O-CB 3.34Å; K141-R145 PolarHBondContact O-N 3.32Å; A142-R145 PolarHBondContact O-N 2.62Å; I143-R145 VanDerWaalsContact C-N 3.28Å; I143-R145 PolarHBondContact O-N 3.28Å; R145-I149 HydrophobicContact CG-CD1 4.3Å; R145-I149 WeakPolarHBondContact O-CD1 3.24Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.47Å; R145-I149 PolarHBondContact O-N 3.36Å
146	M	70.9	Confident	65.7	Low	127 Å²	127	110.6 Å²	110.6	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-65.8	-43.4	173.3	-69.4	-109.6	59.9	0	0	111.6	A142 I143 I149 A150	A142-M146 VanDerWaalsContact O-CG 3.3Å; A142-M146 WeakPolarHBondContact O-CG 3.4Å; A142-M146 PolarHBondContact O-N 2.78Å; I143-M146 PolarHBondContact O-N 3.03Å; I143-M146 VanDerWaalsContact O-N 3.16Å; M146-I149 PolarHBondContact O-N 3.1Å; M146-A150 WeakPolarHBondContact O-CB 3.37Å; M146-A150 PolarHBondContact O-N 2.72Å
147	A	68.8	Low	63.9	Low	58 Å²	58	112.7 Å²	112.7	48%	0.479	62%	0.618	S	S	.	*	H	α-helix	trans	-62.6	-42.2	175.5	0	0	0	0	0	112.2	I143 C144 A150 A151	I143-A147 PolarHBondContact O-N 2.82Å; C144-A147 PolarHBondContact O-N 2.84Å; A147-A150 PolarHBondContact O-N 2.85Å; A147-A151 WeakPolarHBondContact O-CB 3.13Å; A147-A151 PolarHBondContact O-N 2.87Å
148	L	68.1	Low	62.1	Low	108 Å²	108	118 Å²	118	57%	0.565	63%	0.633	S	S	*	*	H	α-helix	trans	-62.1	-43.3	175.3	-164.9	83.6	0	0	0	111.8	C144 A150 A151 I152	C144-L148 WeakPolarHBondContact O-CB 3.2Å; C144-L148 PolarHBondContact O-N 3.14Å; L148-A150 VanDerWaalsContact C-N 3.34Å; L148-A151 PolarHBondContact O-N 3.48Å; L148-I152 HydrophobicContact CD2-CD1 4.24Å; L148-I152 HydrophobicContact CG-CD1 3.89Å; L148-I152 WeakPolarHBondContact O-CB 2.98Å; L148-I152 WeakPolarHBondContact O-CG1 3.38Å; L148-I152 PolarHBondContact O-N 3.46Å
149	I	74.3	Confident	60	Low	99 Å²	99	122.4 Å²	122.4	51%	0.508	66%	0.658	S	S	.	*	H	α-helix	trans	-64.1	-39.5	176.2	-70.6	165	0	0	0	111	R145 M146 G153	R145-I149 HydrophobicContact CG-CD1 4.3Å; R145-I149 WeakPolarHBondContact O-CD1 3.24Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.47Å; R145-I149 PolarHBondContact O-N 3.36Å; M146-I149 PolarHBondContact O-N 3.1Å; I149-G153 WeakPolarHBondContact O-CA 3.5Å; I149-G153 PolarHBondContact O-N 3.11Å
150	A	68	Low	57.7	Low	76 Å²	76	124.7 Å²	124.7	63%	0.628	68%	0.682	S	S	*	*	H	α-helix	trans	-67.9	-37.1	175.8	0	0	0	0	0	113	M146 A147 L148	M146-A150 WeakPolarHBondContact O-CB 3.37Å; M146-A150 PolarHBondContact O-N 2.72Å; A147-A150 PolarHBondContact O-N 2.85Å; L148-A150 VanDerWaalsContact C-N 3.34Å
151	A	62.7	Low	55.7	Low	83 Å²	83	126.9 Å²	126.9	69%	0.686	70%	0.697	S	S	*	*	H	α-helix	trans	-71.1	-38.4	177.7	0	0	0	0	0	112.9	A147 L148	A147-A151 WeakPolarHBondContact O-CB 3.13Å; A147-A151 PolarHBondContact O-N 2.87Å; L148-A151 PolarHBondContact O-N 3.48Å
152	I	70.1	Confident	53.4	Low	116 Å²	116	125.3 Å²	125.3	60%	0.595	70%	0.702	S	S	*	*	H	α-helix	trans	-77.6	-28.7	176.1	-64.9	170	0	0	0	111.2	L148 K154	L148-I152 HydrophobicContact CD2-CD1 4.24Å; L148-I152 HydrophobicContact CG-CD1 3.89Å; L148-I152 WeakPolarHBondContact O-CB 2.98Å; L148-I152 WeakPolarHBondContact O-CG1 3.38Å; L148-I152 PolarHBondContact O-N 3.46Å; I152-K154 PolarHBondContact O-N 3.12Å
153	G	46.6	Very low	51.1	Low	60 Å²	60	126.3 Å²	126.3	62%	0.619	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	35.7	-172.2	0	0	0	0	0	117	I149	I149-G153 WeakPolarHBondContact O-CA 3.5Å; I149-G153 PolarHBondContact O-N 3.11Å
154	K	45	Very low	48.9	Very low	195 Å²	195	127.4 Å²	127.4	85%	0.848	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.6	27.1	177.4	-130	176.5	-174.4	-177	0	117.5	I152	I152-K154 PolarHBondContact O-N 3.12Å
155	T	37	Very low	47.7	Very low	128 Å²	128	128.8 Å²	128.8	79%	0.785	74%	0.736	S	S	*	*			trans	-128.6	100.2	169.5	43.4	0	0	0	0	112.6
156	R	34.9	Very low	45.5	Very low	252 Å²	252	125.2 Å²	125.2	95%	0.951	74%	0.739	S	S	*	*			trans	-163.6	107.2	157.1	-121.2	175.2	-176.6	-174.2	0.5	113
157	T	33	Very low	44.2	Very low	144 Å²	144	125.6 Å²	125.6	88%	0.883	75%	0.751	S	S	*	*			trans	-108.7	152.3	157.3	-51.1	0	0	0	0	107.9
158	R	33.6	Very low	42.2	Very low	239 Å²	239	127.5 Å²	127.5	90%	0.902	77%	0.768	S	S	*	*			trans	-71.6	137.2	-176.6	-69.7	176.3	171.1	-178.2	-3.7	112.4
159	L	29.8	Very low	40.4	Very low	182 Å²	182	126.6 Å²	126.6	95%	0.953	78%	0.776	S	S	*	*				-145.4	158	129.5	-148.7	67	0	0	0	107.9
160	G	29.6	Very low	38.3	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	79%	0.793	S	S	*	*			trans	-138	162.9	-174.5	0	0	0	0	0	112.7
161	S	28.5	Very low	36.6	Very low	114 Å²	114	132.9 Å²	132.9	80%	0.797	80%	0.803	S	S	*	*			trans	-153.7	124.3	177.6	-157.8	0	0	0	0	113.2
162	T	30	Very low	34.9	Very low	136 Å²	136	132.1 Å²	132.1	83%	0.834	80%	0.804	S	S	*	*			trans	6.5	140	151.3	59.1	0	0	0	0	122.9
163	G	27.6	Very low	33	Very low	69 Å²	69	132.9 Å²	132.9	71%	0.711	82%	0.819	S	S	*	*				131.5	98.7	129.9	0	0	0	0	0	120.5
164	V	29.1	Very low	32.1	Very low	144 Å²	144	137.9 Å²	137.9	87%	0.873	83%	0.831	S	S	*	*				35.5	141.1	121.9	178.4	0	0	0	0	119.7
165	P	41.3	Very low	32.5	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	82%	0.823	S	S	*	*			cis	-135.4	175.2	18.7	24	1.7	0	0	0	118.9
166	S	26.9	Very low	32.1	Very low	109 Å²	109	135 Å²	135	76%	0.762	83%	0.825	S	S	*	*			trans	-0.2	152.6	142.2	-94.6	0	0	0	0	121.6
167	P	43.5	Very low	31.9	Very low	135 Å²	135	127.1 Å²	127.1	88%	0.877	81%	0.813	S	S	*	*				-134.7	-171.4	63.6	40.7	-25.3	0	0	0	116.7
168	A	27.6	Very low	31.6	Very low	99 Å²	99	125.2 Å²	125.2	82%	0.818	81%	0.806	S	S	*	*			trans	-128.4	164.1	-157	0	0	0	0	0	116.3
169	A	30	Very low	31.6	Very low	89 Å²	89	120.1 Å²	120.1	74%	0.736	80%	0.801	S	S	*	*			trans	-152.3	127.8	149.1	0	0	0	0	0	105.5
170	E	30.3	Very low	32.5	Very low	186 Å²	186	117.3 Å²	117.3	87%	0.869	79%	0.794	S	S	*	*				59.2	127.4	65.4	-67.5	-163.8	176.6	0	0	113.3
171	S	32.2	Very low	32.5	Very low	120 Å²	120	117.9 Å²	117.9	84%	0.839	79%	0.791	S	S	*	*			cis	-159.9	168.8	0.9	55.9	0	0	0	0	111.1
172	G	26.6	Very low	32.7	Very low	68 Å²	68	121.8 Å²	121.8	70%	0.701	80%	0.797	S	S	*	*			trans	154.5	96.7	163.9	0	0	0	0	0	119.6
173	S	29.1	Very low	32.7	Very low	131 Å²	131	120.7 Å²	120.7	92%	0.916	79%	0.79	S	S	*	*			trans	75.4	148.5	144.5	-55.6	0	0	0	0	122.6
174	L	29.3	Very low	32.6	Very low	165 Å²	165	124.3 Å²	124.3	86%	0.864	80%	0.798	S	S	*	*			trans	-119.3	-173.3	-176.9	-72.5	168.7	0	0	0	109.3
175	P	53.4	Low	32.9	Very low	106 Å²	106	125.4 Å²	125.4	69%	0.688	79%	0.794	S	S	*	*				-135	-158.9	-51.5	38	-19.9	0	0	0	112.2
176	L	28.3	Very low	32.2	Very low	158 Å²	158	129.7 Å²	129.7	83%	0.827	80%	0.804	S	S	*	*			trans	121	133.5	131.9	-149	81.1	0	0	0	118.9
177	A	29.3	Very low	32.6	Very low	85 Å²	85	130.3 Å²	130.3	70%	0.702	81%	0.808	S	S	*	*			trans	63.1	153.9	151.8	0	0	0	0	0	120.7
178	S	28.1	Very low	31.9	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	81%	0.807	S	S	*	*			cis	-168.5	143.8	-19.5	51.4	0	0	0	0	112.9
179	V	32.2	Very low	32.2	Very low	132 Å²	132	132.3 Å²	132.3	80%	0.8	81%	0.807	S	S	*	*				15.6	142.2	127.9	176.3	0	0	0	0	118.1
180	P	50.3	Low	33.4	Very low	123 Å²	123	132.5 Å²	132.5	80%	0.799	80%	0.8	S	S	*	*			cis	-133.6	-171.1	24	24.6	1.2	0	0	0	116.6
181	A	29.9	Very low	33.6	Very low	89 Å²	89	132.7 Å²	132.7	74%	0.736	80%	0.798	S	S	*	*			trans	-115.6	166.3	169	0	0	0	0	0	111.5
182	Q	31.3	Very low	33.6	Very low	195 Å²	195	133.7 Å²	133.7	91%	0.911	79%	0.794	S	S	*	*				-171.1	147.4	122.6	-105.9	176.8	17.8	0	0	116.3
183	T	30.2	Very low	33.8	Very low	113 Å²	113	136 Å²	136	69%	0.693	80%	0.8	S	S	*	*			trans	-53.3	151.6	173.3	-44.4	0	0	0	0	116.5
184	V	26.7	Very low	33.9	Very low	146 Å²	146	134.9 Å²	134.9	89%	0.885	79%	0.792	S	S	*	*			trans	-136.1	128.2	137.1	-179.7	0	0	0	0	109.1
185	E	33.5	Very low	34.1	Very low	167 Å²	167	132.8 Å²	132.8	78%	0.78	79%	0.786	S	S	*	*			trans	-119.5	149.1	161.9	-87.5	-167.8	132.9	0	0	108.3
186	Q	28.4	Very low	33	Very low	203 Å²	203	135.4 Å²	135.4	95%	0.949	79%	0.794	S	S	*	*			trans	-173.1	161.8	132.9	-106.2	169.7	13.1	0	0	111.4
187	S	34.6	Very low	33	Very low	122 Å²	122	131.1 Å²	131.1	85%	0.853	79%	0.788	S	S	*	*			trans	-141.2	146.9	-171.1	52	0	0	0	0	112.1
188	A	28.7	Very low	33	Very low	102 Å²	102	135.3 Å²	135.3	84%	0.843	80%	0.797	S	S	*	*			trans	-164.5	136.3	167.2	0	0	0	0	0	112.7
189	E	33.7	Very low	32.9	Very low	175 Å²	175	134 Å²	134	82%	0.818	80%	0.8	S	S	*	*			trans	-87.6	-166.5	157.1	-73.9	-71.9	159.1	0	0	108.3
190	P	56.4	Low	32.7	Very low	92 Å²	92	137.4 Å²	137.4	60%	0.597	80%	0.804	S	S	*	*			cis	-146.1	-169.3	6	21	9.6	0	0	0	117.1
191	F	32.8	Very low	31.5	Very low	191 Å²	191	138.4 Å²	138.4	84%	0.838	81%	0.808	S	S	*	*			trans	107.7	115.2	139.5	-77.7	-55.6	0	0	0	124.2
192	D	32.2	Very low	31.4	Very low	141 Å²	141	144.9 Å²	144.9	75%	0.754	81%	0.813	S	S	*	*				81	135	120	-155.6	30.3	0	0	0	124.4
193	S	31	Very low	31.2	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	81%	0.805	S	S	*	*			trans	176.6	163.7	135.4	35.7	0	0	0	0	112.9
194	S	32.3	Very low	32.2	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	81%	0.812	S	S	*	*			trans	-126.6	-173.4	-150.2	53.9	0	0	0	0	116.3
195	V	33.3	Very low	32.1	Very low	122 Å²	122	137.9 Å²	137.9	74%	0.739	81%	0.805	S	S	*	*			trans	125.7	125.6	151.4	177.9	0	0	0	0	117.7
196	D	30.6	Very low	32	Very low	160 Å²	160	137.7 Å²	137.7	86%	0.856	80%	0.804	S	S	*	*			trans	14.4	155.2	151.2	-50.5	-24	0	0	0	123.7
197	G	27.6	Very low	32.2	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	80%	0.795	S	S	*	*			cis	171	138.9	-4.8	0	0	0	0	0	116.2
198	I	30.3	Very low	32.2	Very low	173 Å²	173	139.5 Å²	139.5	89%	0.887	79%	0.792	S	S	*	*			trans	26.7	127.6	155.3	-49.1	178.4	0	0	0	121.3
199	G	25.6	Very low	32.3	Very low	77 Å²	77	141.4 Å²	141.4	79%	0.794	79%	0.788	S	S	*	*			trans	-159.5	139.6	160.7	0	0	0	0	0	114.5
200	F	26.8	Very low	32.3	Very low	203 Å²	203	137.4 Å²	137.4	89%	0.89	79%	0.785	S	S	*	*			trans	-98.2	157.4	-173.9	-107.9	-113.8	0	0	0	113.9
201	V	26.4	Very low	31.1	Very low	143 Å²	143	136.3 Å²	136.3	87%	0.867	79%	0.791	S	S	*	*				167.1	160.8	125.5	155.2	0	0	0	0	111.3
202	R	26.9	Very low	31.1	Very low	226 Å²	226	132.5 Å²	132.5	85%	0.853	79%	0.787	S	S	*	*			trans	-147.5	121.3	-166.2	-178.2	-175.3	-172.1	-173.8	4.6	113.4
203	S	28.1	Very low	31	Very low	107 Å²	107	133 Å²	133	75%	0.748	79%	0.789	S	S	*	*			trans	64.9	176.6	161	-54.4	0	0	0	0	116.7
204	P	49.3	Very low	30.9	Very low	128 Å²	128	131.4 Å²	131.4	83%	0.831	78%	0.778	S	S	*	*			cis	-136.7	172.7	0.2	42.9	-26	0	0	0	118.3
205	G	26.6	Very low	30.8	Very low	71 Å²	71	135 Å²	135	73%	0.732	78%	0.783	S	S	*	*			trans	93.1	152.6	148.1	0	0	0	0	0	119.6
206	E	31.2	Very low	30.6	Very low	163 Å²	163	132.4 Å²	132.4	76%	0.762	78%	0.781	S	S	*	*			cis	-168.1	163.1	-18	-151.4	156.7	-129.9	0	0	111.7
207	Y	31.3	Very low	30.5	Very low	194 Å²	194	133.9 Å²	133.9	76%	0.761	78%	0.782	S	S	*	*			trans	80.2	121.5	169.6	-64.3	-77.9	0	0	0	123.2
208	E	35.2	Very low	30.6	Very low	169 Å²	169	134.9 Å²	134.9	79%	0.79	78%	0.778	S	S	*	*				23.9	151.7	128.2	-40.2	-69.1	90.6	0	0	120.9
209	D	31.4	Very low	30.4	Very low	143 Å²	143	132.8 Å²	132.8	77%	0.765	77%	0.774	S	S	*	*			cis	-154.8	167	15.7	-170.1	18.1	0	0	0	112.5
210	A	33.8	Very low	31.1	Very low	90 Å²	90	134.3 Å²	134.3	74%	0.744	77%	0.77	S	S	*	*			trans	26	142.8	157	0	0	0	0	0	123.2
211	G	29.8	Very low	31.1	Very low	70 Å²	70	130.8 Å²	130.8	72%	0.722	77%	0.765	S	S	*	*			trans	-178.7	-18.6	166.7	0	0	0	0	0	123.1
212	S	32.4	Very low	31.1	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	77%	0.768	S	S	*	*			trans	53.4	119.9	173.6	59.8	0	0	0	0	120.8
213	L	30.9	Very low	31.1	Very low	152 Å²	152	130.7 Å²	130.7	80%	0.796	76%	0.762	S	S	*	*			trans	51.2	119.7	136.2	-59.8	172	0	0	0	118.7
214	S	28.6	Very low	31	Very low	82 Å²	82	135.3 Å²	135.3	57%	0.573	77%	0.769	S	S	*	*			cis	57.3	137.8	47.6	117.4	0	0	0	0	112.5
215	E	30.9	Very low	30	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	77%	0.769	S	S	*	*			cis	-149.7	179.7	7.9	-111.2	145.5	-108.3	0	0	108
216	G	28.5	Very low	30.1	Very low	68 Å²	68	141.9 Å²	141.9	70%	0.701	78%	0.775	S	S	*	*			cis	-176	172.2	5.7	0	0	0	0	0	110.1
217	H	29.6	Very low	30	Very low	190 Å²	190	140.8 Å²	140.8	88%	0.88	78%	0.779	S	S	*	*			trans	-108.2	149.5	-162.5	-100.2	-96.5	0	0	0	116
218	S	28.4	Very low	29.8	Very low	90 Å²	90	140 Å²	140	63%	0.629	78%	0.782	S	S	*	*			trans	80.1	138.2	133.2	70.3	0	0	0	0	124
219	T	27.3	Very low	29.4	Very low	129 Å²	129	136.3 Å²	136.3	79%	0.791	78%	0.775	S	S	*	*			trans	71.4	164.3	143.2	53.9	0	0	0	0	120.8
220	P	39.3	Very low	29.2	Very low	110 Å²	110	138.4 Å²	138.4	71%	0.714	78%	0.781	S	S	*	*			cis	-136.8	168.5	-40.2	36.7	-21	0	0	0	115.5
221	V	26.9	Very low	28.9	Very low	129 Å²	129	139.9 Å²	139.9	78%	0.782	79%	0.786	S	S	*	*			trans	5.1	125.8	150.5	-177.6	0	0	0	0	119.4
222	R	26.5	Very low	28.8	Very low	246 Å²	246	141.8 Å²	141.8	93%	0.928	79%	0.788	S	S	*	*				-162.3	161.6	128.4	-111.4	167.7	-164.1	-163.6	3.6	115.4
223	V	27	Very low	28.7	Very low	120 Å²	120	142 Å²	142	73%	0.727	79%	0.789	S	S	*	*			trans	-87.7	152.2	179.1	174.4	0	0	0	0	110.3
224	F	27.1	Very low	29.1	Very low	205 Å²	205	140.7 Å²	140.7	90%	0.899	79%	0.79	S	S	*	*			trans	-144.3	146.2	153.3	-108.3	-77.7	0	0	0	112.8
225	E	28	Very low	29.1	Very low	177 Å²	177	145.2 Å²	145.2	83%	0.827	80%	0.802	S	S	*	*			trans	-96.4	173.9	168.7	-71.5	179.7	113.7	0	0	111
226	D	28	Very low	30.1	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	79%	0.792	S	S	*	*			trans	-34.5	140.2	179.6	-63.4	-25.5	0	0	0	117.5
227	T	28.5	Very low	29.9	Very low	141 Å²	141	146.8 Å²	146.8	87%	0.865	80%	0.797	S	S	*	*			trans	-137	129.3	136.2	-24.2	0	0	0	0	111.9
228	Q	27.9	Very low	29.8	Very low	176 Å²	176	142 Å²	142	82%	0.822	79%	0.79	S	S	*	*			trans	-61.5	159.8	157.7	-70.2	171.9	15.2	0	0	109.5
229	S	27.7	Very low	29.6	Very low	92 Å²	92	148.3 Å²	148.3	64%	0.643	80%	0.802	S	S	*	*			cis	-178.2	159.1	-4.8	46	0	0	0	0	107.1
230	Q	26.6	Very low	29.8	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	79%	0.794	S	S	*	*				171.9	144.5	120.9	-95	173.9	19.6	0	0	111.5
231	S	28	Very low	29.4	Very low	121 Å²	121	151 Å²	151	85%	0.846	80%	0.797	S	S	*	*			trans	-109.4	120.9	173.1	54.5	0	0	0	0	109.9
232	S	26.6	Very low	29.5	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	79%	0.789	S	S	*	*			trans	-152.4	96.1	166.3	60.2	0	0	0	0	112
233	S	31.1	Very low	29.7	Very low	115 Å²	115	146 Å²	146	80%	0.804	78%	0.779	S	S	*	*			trans	-61.9	149.3	153.8	54.3	0	0	0	0	110
234	P	39.7	Very low	29.7	Very low	125 Å²	125	146.8 Å²	146.8	81%	0.812	78%	0.784	S	S	*	*				-143.8	178.3	76.3	37.7	-19.7	0	0	0	116
235	E	27	Very low	29.7	Very low	177 Å²	177	144.4 Å²	144.4	83%	0.827	77%	0.774	S	S	*	*			trans	-78.2	-166.5	172.3	-21.2	170.8	117.3	0	0	112.1
236	P	52.6	Low	29.7	Very low	97 Å²	97	141.2 Å²	141.2	63%	0.63	77%	0.766	S	S	*	*			cis	-134.8	-168.5	-18.8	24.1	0.4	0	0	0	113.6
237	K	24.7	Very low	29.7	Very low	186 Å²	186	139.9 Å²	139.9	81%	0.809	76%	0.755	S	S	*	*			trans	106.2	93.6	149.2	-59.9	178.8	175.8	175.6	0	120.7
238	A	26.8	Very low	29.7	Very low	89 Å²	89	139.9 Å²	139.9	74%	0.736	76%	0.755	S	S	*	*				72.4	160.8	112.9	0	0	0	0	0	123
239	Y	25.4	Very low	30	Very low	224 Å²	224	136.6 Å²	136.6	88%	0.878	75%	0.746	S	S	*	*			trans	79.3	141.2	178.1	-78.9	-106.4	0	0	0	118.3
240	S	30	Very low	31.4	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	75%	0.745	S	S	*	*			cis	177.8	170.4	-34.2	-106.3	0	0	0	0	110.6
241	R	31.9	Very low	31.5	Very low	205 Å²	205	136.9 Å²	136.9	77%	0.774	75%	0.746	S	S	*	*			trans	82.5	143.2	169.3	-49.1	-176.3	99.2	114.3	12.8	115.6
242	E	28.6	Very low	31.6	Very low	131 Å²	131	134.4 Å²	134.4	61%	0.612	74%	0.739	S	S	*	*			cis	-153.4	143.3	-6.7	-124.4	156.4	179.2	0	0	114.2
243	L	30.9	Very low	31.8	Very low	138 Å²	138	138.2 Å²	138.2	72%	0.723	75%	0.745	S	S	*	*			trans	30.2	130.6	148.3	-62.7	169.3	0	0	0	120.7
244	V	27.3	Very low	31.7	Very low	136 Å²	136	139.6 Å²	139.6	82%	0.824	74%	0.743	S	S	*	*				-170	166.3	75.7	146	0	0	0	0	108.9
245	F	26.9	Very low	31.2	Very low	156 Å²	156	142.8 Å²	142.8	68%	0.684	74%	0.744	S	S	*	*			cis	163.8	154.8	-29.1	-144.9	-2.9	0	0	0	104.1
246	V	27.9	Very low	31.5	Very low	109 Å²	109	138.6 Å²	138.6	66%	0.661	74%	0.739	S	S	*	*			cis	-146.8	122.7	13.3	174.1	0	0	0	0	104.1
247	E	28.1	Very low	31.1	Very low	132 Å²	132	139.5 Å²	139.5	62%	0.617	75%	0.745	S	S	*	*				78.2	124.3	69.5	-174.5	179.4	-129.4	0	0	116.5	T249	E247-T249 HydrophobicContact CG-CG2 4.41Å
248	T	28.9	Very low	31.6	Very low	141 Å²	141	139 Å²	139	87%	0.865	75%	0.746	S	S	*	*			trans	-170.1	83.2	148.1	12.3	0	0	0	0	112.6
249	T	33.4	Very low	31.8	Very low	106 Å²	106	141.8 Å²	141.8	65%	0.65	75%	0.748	S	S	*	*			trans	-2.8	170.4	138.8	46.9	0	0	0	0	122.6	E247	E247-T249 HydrophobicContact CG-CG2 4.41Å
250	P	56.7	Low	32.2	Very low	96 Å²	96	139.6 Å²	139.6	62%	0.623	75%	0.746	S	S	*	*				-149.4	-155	-53.5	44.9	-24.1	0	0	0	115
251	H	29.7	Very low	32.3	Very low	190 Å²	190	139.1 Å²	139.1	88%	0.88	75%	0.748	S	S	*	*			trans	82.4	144.3	168.9	-59.8	-63.3	0	0	0	119.4
252	G	29.6	Very low	32.2	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	75%	0.749	S	S	*	*			cis	174.6	130.7	-9.6	0	0	0	0	0	116.5
253	E	29.8	Very low	32.4	Very low	190 Å²	190	136.5 Å²	136.5	89%	0.888	75%	0.751	S	S	*	*			trans	42.1	107	150.9	-58.2	-173.3	135	0	0	124.5
254	L	30.3	Very low	32.4	Very low	144 Å²	144	138.5 Å²	138.5	75%	0.754	76%	0.757	S	S	*	*				55.2	144	105.5	-150.6	66.1	0	0	0	123.9
255	F	28.2	Very low	32.6	Very low	192 Å²	192	138.4 Å²	138.4	84%	0.842	75%	0.752	S	S	*	*			trans	88.7	154.7	166.5	-73.3	-69.5	0	0	0	120.5
256	A	32.9	Very low	32.8	Very low	88 Å²	88	135.7 Å²	135.7	73%	0.727	75%	0.753	S	S	*	*			trans	-134.4	164.3	179.9	0	0	0	0	0	109.5
257	P	45.8	Very low	32.9	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	76%	0.76	S	S	*	*				-154.4	172.5	93.4	41.5	-22.9	0	0	0	117.7
258	E	34	Very low	33.6	Very low	176 Å²	176	136.3 Å²	136.3	82%	0.822	77%	0.773	S	S	*	*			trans	34.2	127.9	145.8	-64.8	173.7	166.5	0	0	124.8
259	D	32.5	Very low	33.6	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	77%	0.768	S	S	*	*			trans	87.3	132.6	134.7	-79.4	0.8	0	0	0	126.9
260	E	32.3	Very low	33.9	Very low	177 Å²	177	136.4 Å²	136.4	83%	0.827	78%	0.778	S	S	*	*			trans	82.9	147.4	150.4	-75.6	-68.6	-175.7	0	0	124.7
261	A	32.1	Very low	33.1	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	78%	0.783	S	S	*	*			trans	81.2	110.6	163.1	0	0	0	0	0	123.3
262	E	31	Very low	33	Very low	172 Å²	172	137.5 Å²	137.5	80%	0.804	79%	0.785	S	S	*	*			trans	79.3	112.4	131.4	-61.9	-73	93.5	0	0	124.1
263	V	32.1	Very low	33.1	Very low	109 Å²	109	142 Å²	142	66%	0.661	79%	0.791	S	S	*	*				85.7	118.1	127.9	174.5	0	0	0	0	122.7
264	E	31.8	Very low	32.9	Very low	181 Å²	181	142.2 Å²	142.2	85%	0.846	79%	0.793	S	S	*	*			trans	59.2	146.3	152.8	-78	-178.1	-152.2	0	0	121.1
265	D	30.6	Very low	32.8	Very low	133 Å²	133	144.4 Å²	144.4	71%	0.711	80%	0.796	S	S	*	*			cis	-156.8	-179.8	-10.1	175.3	47.8	0	0	0	109.5
266	S	30.7	Very low	32.8	Very low	100 Å²	100	143.4 Å²	143.4	70%	0.699	80%	0.798	S	S	*	*			trans	83	88.4	155.9	-79.4	0	0	0	0	116.9
267	S	31.5	Very low	32.5	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	79%	0.791	S	S	*	*			trans	-104.5	154.9	156.2	-66.9	0	0	0	0	111
268	P	41.6	Very low	31.9	Very low	135 Å²	135	144.9 Å²	144.9	88%	0.877	79%	0.794	S	S	*	*			trans	-131	137.7	133.8	35.7	-27.4	0	0	0	112.8
269	S	29.1	Very low	31.7	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	79%	0.792	S	S	*	*			trans	-131.8	160.1	170.9	59.9	0	0	0	0	111.1
270	V	40	Very low	31.5	Very low	140 Å²	140	143 Å²	143	85%	0.848	79%	0.793	S	S	*	*			trans	-76.9	147.3	-168.1	-165.9	0	0	0	0	112
271	P	39.5	Very low	31.4	Very low	115 Å²	115	143.6 Å²	143.6	75%	0.747	79%	0.793	S	S	*	*			trans	-126.7	174.4	146.1	36.7	-26.4	0	0	0	114.5
272	Q	28.7	Very low	32.2	Very low	194 Å²	194	144.9 Å²	144.9	91%	0.907	79%	0.794	S	S	*	*			trans	-97.2	175.7	-162	-60.4	159.5	-91.1	0	0	113.7
273	L	29.8	Very low	32	Very low	162 Å²	162	141.7 Å²	141.7	85%	0.848	79%	0.787	S	S	*	*			trans	-72.5	141.5	163	-80.2	74.9	0	0	0	111.2
274	E	26.2	Very low	32.1	Very low	196 Å²	196	144.1 Å²	144.1	92%	0.916	79%	0.791	S	S	*	*			trans	-131.5	179.4	144.3	-76.5	-151.6	138.9	0	0	110.1
275	F	29.2	Very low	32.1	Very low	189 Å²	189	142.4 Å²	142.4	83%	0.829	78%	0.783	S	S	*	*			trans	-139.1	137.5	-158.5	-152.8	-78.1	0	0	0	109.8
276	I	27	Very low	32.3	Very low	171 Å²	171	143.1 Å²	143.1	88%	0.877	79%	0.787	S	S	*	*			trans	-175.2	162.7	159	-101.9	150.4	0	0	0	110.4
277	S	28	Very low	32.3	Very low	83 Å²	83	144 Å²	144	58%	0.58	79%	0.793	S	S	*	*			trans	-116	162.1	-166	-45.3	0	0	0	0	116
278	D	31.2	Very low	32.3	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	79%	0.791	S	S	*	*			trans	79.4	141.4	144.1	-59.6	-36.4	0	0	0	123.9
279	S	31.5	Very low	32.1	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	78%	0.784	S	S	*	*			trans	107.7	105.3	149.3	67.6	0	0	0	0	123
280	E	28.3	Very low	32.2	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	78%	0.782	S	S	*	*			trans	74.1	106.1	132.6	-58.3	-168.1	147.5	0	0	126.1
281	F	29.9	Very low	31.7	Very low	190 Å²	190	147.8 Å²	147.8	83%	0.833	78%	0.777	S	S	*	*				57.2	168.7	125.1	-74.2	-58.5	0	0	0	123.5
282	P	47.8	Very low	31.3	Very low	108 Å²	108	149.6 Å²	149.6	70%	0.701	78%	0.779	S	S	*	*			cis	-117.3	-145.5	5.9	24.1	2.8	0	0	0	113.4
283	T	28	Very low	31.4	Very low	105 Å²	105	144.2 Å²	144.2	64%	0.644	77%	0.767	S	S	*	*			cis	-165.9	137.6	11.9	-26.7	0	0	0	0	114.2
284	Q	33.4	Very low	31.6	Very low	161 Å²	161	143.8 Å²	143.8	75%	0.752	77%	0.765	S	S	*	*			trans	59.8	161.7	150.5	-81.2	179.1	28.4	0	0	121.5
285	Q	32.8	Very low	32	Very low	144 Å²	144	140.4 Å²	140.4	67%	0.673	76%	0.758	S	S	*	*			cis	-159.5	145	11.7	-138.2	-178.5	68.2	0	0	115
286	N	33.8	Very low	32.1	Very low	149 Å²	149	135.9 Å²	135.9	80%	0.797	75%	0.749	S	S	*	*			trans	49.6	166.3	149.7	-61.5	-12.1	0	0	0	122.5
287	S	30.3	Very low	32.3	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	75%	0.747	S	S	*	*			cis	-144.7	-139.6	10.6	70.6	0	0	0	0	115.5
288	L	33.2	Very low	32.4	Very low	148 Å²	148	134.6 Å²	134.6	78%	0.775	75%	0.75	S	S	*	*			trans	-141.2	164.2	-149.1	-90.3	168.8	0	0	0	119.2
289	Q	36.3	Very low	32.6	Very low	156 Å²	156	135 Å²	135	73%	0.729	75%	0.752	S	S	*	*			trans	95.5	152.3	139.3	-89.6	164.3	11.2	0	0	125.8
290	N	30.7	Very low	32.6	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	74%	0.742	S	S	*	*			trans	81.6	148.4	160.4	-60.2	-25.6	0	0	0	120.6
291	L	30.4	Very low	32.7	Very low	143 Å²	143	130.1 Å²	130.1	75%	0.749	74%	0.74	S	S	*	*			cis	-163	171.9	-22.3	-115.2	169.3	0	0	0	112.9
292	I	31.5	Very low	32.6	Very low	153 Å²	153	127.3 Å²	127.3	79%	0.785	74%	0.738	S	S	*	*			trans	-52.2	162.4	177.2	-69	163.5	0	0	0	115.7
293	A	31	Very low	31.9	Very low	80 Å²	80	127.3 Å²	127.3	66%	0.661	74%	0.741	S	S	*	*			cis	175	170.3	-29.1	0	0	0	0	0	110.2
294	L	33.3	Very low	33.1	Very low	154 Å²	154	127.5 Å²	127.5	81%	0.806	74%	0.744	S	S	*	*			trans	143.4	136.8	138.5	-77.5	169.2	0	0	0	118.7
295	T	33.4	Very low	33	Very low	125 Å²	125	124.5 Å²	124.5	77%	0.767	74%	0.741	S	S	*	*			trans	62.8	142.3	148.6	50.1	0	0	0	0	122.3
296	S	32.8	Very low	33	Very low	93 Å²	93	124.3 Å²	124.3	65%	0.65	74%	0.743	S	S	*	*			cis	-169.8	169	-8.5	49.4	0	0	0	0	114.2
297	T	30	Very low	32.9	Very low	134 Å²	134	124.8 Å²	124.8	82%	0.822	74%	0.741	S	S	*	*			trans	68	143.6	157.9	44	0	0	0	0	119.8
298	S	31.2	Very low	32.9	Very low	94 Å²	94	125.9 Å²	125.9	66%	0.657	74%	0.737	S	S	*	*			cis	-167.5	143	-12.1	-169.5	0	0	0	0	112.3
299	L	34.7	Very low	32.7	Very low	162 Å²	162	122.9 Å²	122.9	85%	0.848	73%	0.734	S	S	*	*			trans	26.7	158	150.3	-78.4	100.2	0	0	0	123.1
300	A	31.9	Very low	32.3	Very low	72 Å²	72	120 Å²	120	60%	0.595	74%	0.736	S	S	*	*			cis	-157.5	157.3	14.5	0	0	0	0	0	114.4
301	S	30.6	Very low	32.1	Very low	107 Å²	107	119.4 Å²	119.4	75%	0.748	74%	0.738	S	S	*	*			trans	43.6	154.2	133.1	70.9	0	0	0	0	122.8
302	V	28.5	Very low	31.9	Very low	131 Å²	131	118 Å²	118	79%	0.794	74%	0.735	S	S	*	*			cis	-155.2	161.8	31.8	173.3	0	0	0	0	110.9
303	S	31.5	Very low	31.8	Very low	108 Å²	108	118.6 Å²	118.6	76%	0.755	73%	0.734	S	S	*	*			trans	-130.1	-176.7	167.6	-43.2	0	0	0	0	109.8
304	P	54.1	Low	31.6	Very low	110 Å²	110	121.1 Å²	121.1	71%	0.714	74%	0.742	S	S	*	*			cis	-145.8	-158.3	4.4	38.6	-13.8	0	0	0	115.6
305	S	30.6	Very low	31.2	Very low	98 Å²	98	118.5 Å²	118.5	69%	0.685	74%	0.742	S	S	*	*			trans	72.9	160	142.7	-70.4	0	0	0	0	121
306	I	32.5	Very low	31	Very low	140 Å²	140	116.2 Å²	116.2	72%	0.718	74%	0.736	S	S	*	*			cis	-161.1	152.9	-15.5	-111.6	168.9	0	0	0	111.5
307	E	31.9	Very low	30.8	Very low	159 Å²	159	118.9 Å²	118.9	74%	0.743	74%	0.743	S	S	*	*			trans	34.9	143.9	155.3	-65.3	-172.3	171.9	0	0	128.1
308	N	30.3	Very low	30.8	Very low	141 Å²	141	119 Å²	119	75%	0.754	74%	0.739	S	S	*	*				95.4	146.4	126.7	-91.7	-39.7	0	0	0	126.2
309	A	29.6	Very low	30.7	Very low	85 Å²	85	119.3 Å²	119.3	70%	0.702	74%	0.737	S	S	*	*			trans	68.9	99.4	151	0	0	0	0	0	123.6
310	A	26.8	Very low	30.4	Very low	94 Å²	94	119.9 Å²	119.9	78%	0.777	74%	0.735	S	S	*	*				38.1	160.8	118.7	0	0	0	0	0	124.5
311	T	26.7	Very low	30.2	Very low	125 Å²	125	122.1 Å²	122.1	77%	0.767	75%	0.747	S	S	*	*			trans	107.8	102.2	144.7	-37.3	0	0	0	0	118.7
312	V	27.9	Very low	30.2	Very low	112 Å²	112	128.1 Å²	128.1	68%	0.679	75%	0.754	S	S	*	*				79.5	120.2	129.5	165	0	0	0	0	123.9
313	Q	27.5	Very low	30.2	Very low	166 Å²	166	130.2 Å²	130.2	78%	0.776	76%	0.76	S	S	*	*			trans	65.2	169.2	139.2	-70.3	175.2	-16.9	0	0	123.8
314	T	26.7	Very low	30.4	Very low	133 Å²	133	132.4 Å²	132.4	82%	0.816	76%	0.763	S	S	*	*			trans	73.3	125.3	175.8	64.4	0	0	0	0	114.8
315	A	26.6	Very low	29.4	Very low	99 Å²	99	133 Å²	133	82%	0.818	77%	0.767	S	S	*	*			cis	73	133.2	20.9	0	0	0	0	0	114.1
316	A	28.6	Very low	29.4	Very low	77 Å²	77	137.2 Å²	137.2	64%	0.636	78%	0.775	S	S	*	*			cis	-149.5	-157.6	5.1	0	0	0	0	0	111.1
317	D	28.1	Very low	29.3	Very low	150 Å²	150	140 Å²	140	80%	0.802	78%	0.782	S	S	*	*			trans	71.9	136.3	155.2	-58.4	-5.7	0	0	0	118.4
318	D	29.6	Very low	29.2	Very low	136 Å²	136	144.2 Å²	144.2	73%	0.727	79%	0.791	S	S	*	*			cis	-164.7	175	-9.1	-154.2	-7.9	0	0	0	112.4
319	T	30.2	Very low	29.1	Very low	101 Å²	101	142.8 Å²	142.8	62%	0.62	79%	0.788	S	S	*	*			trans	71.3	115.7	154.3	51.8	0	0	0	0	123.2
320	Q	29.2	Very low	28.9	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.813	79%	0.791	S	S	*	*			trans	58.2	114.4	130.9	-58.5	-176.6	8.1	0	0	121.9
321	S	27.3	Very low	28.9	Very low	119 Å²	119	150.2 Å²	150.2	83%	0.832	79%	0.793	S	S	*	*				163.4	152.9	94.6	52.4	0	0	0	0	112.7
322	Y	30	Very low	28.9	Very low	233 Å²	233	150.8 Å²	150.8	91%	0.914	79%	0.79	S	S	*	*			trans	-96.9	131.1	176.7	-69.9	-94.7	0	0	0	111.3
323	L	29.4	Very low	28.8	Very low	175 Å²	175	150.9 Å²	150.9	92%	0.916	80%	0.795	S	S	*	*			trans	-153.4	151.9	157.7	-104.5	176.2	0	0	0	111.9
324	L	35.1	Very low	28.7	Very low	154 Å²	154	152.2 Å²	152.2	81%	0.806	80%	0.799	S	S	*	*			trans	-85.3	144.1	177.4	-74.1	146.2	0	0	0	111.3
325	P	32.9	Very low	28.9	Very low	123 Å²	123	155.4 Å²	155.4	80%	0.799	80%	0.804	S	S	*	*			trans	-85.5	129.2	164.1	32.6	-30.5	0	0	0	111.4
326	E	30.4	Very low	28.9	Very low	186 Å²	186	159.3 Å²	159.3	87%	0.869	81%	0.806	S	S	*	*			trans	-84.9	175.4	-178.2	-71.8	-163.1	98.2	0	0	115
327	K	30.7	Very low	29.1	Very low	197 Å²	197	161.7 Å²	161.7	86%	0.857	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-58.4	143.6	176.8	-58.5	159.4	-174.5	165.2	0	111.5
328	R	29.3	Very low	29.2	Very low	249 Å²	249	161.3 Å²	161.3	94%	0.94	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-99.6	124.6	163.9	-81.2	-174.8	170.4	175.6	-2.6	111.2
329	T	28.4	Very low	29.2	Very low	111 Å²	111	163.5 Å²	163.5	68%	0.681	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-93.2	147.9	169.5	-51.9	0	0	0	0	109.5	Y331	T329-Y331 HydrophobicContact CG2-CE2 4.45Å
330	V	25	Very low	29.7	Very low	126 Å²	126	164.7 Å²	164.7	76%	0.764	83%	0.833	S	S	*	*			trans	-120.1	131.6	174.5	179.4	0	0	0	0	108.9
331	Y	27.3	Very low	29.7	Very low	209 Å²	209	163.3 Å²	163.3	82%	0.82	83%	0.832	S	S	*	*			trans	-98.2	147.3	174.2	-75	-96.1	0	0	0	110.5	T329	T329-Y331 HydrophobicContact CG2-CE2 4.45Å
332	I	26.1	Very low	29.8	Very low	137 Å²	137	164.6 Å²	164.6	70%	0.703	83%	0.829	S	S	*	*			trans	-135.4	134.5	169.8	-59.7	179.1	0	0	0	107.4	F334	I332-F334 HydrophobicContact CG2-CD2 4.38Å; I332-F334 HydrophobicContact CG2-CE2 3.87Å; I332-F334 HydrophobicContact CG2-CZ 4.32Å
333	S	26	Very low	29.7	Very low	114 Å²	114	161.3 Å²	161.3	80%	0.797	82%	0.822	S	S	*	*			trans	-117.6	154.9	175.2	-61	0	0	0	0	109.9
334	F	26.9	Very low	30.6	Very low	193 Å²	193	157.7 Å²	157.7	85%	0.846	81%	0.809	S	S	*	*			trans	-127.9	137.5	177.1	-75	-89.7	0	0	0	109.9	I332	I332-F334 HydrophobicContact CG2-CD2 4.38Å; I332-F334 HydrophobicContact CG2-CE2 3.87Å; I332-F334 HydrophobicContact CG2-CZ 4.32Å
335	E	29.2	Very low	30.1	Very low	200 Å²	200	158.8 Å²	158.8	94%	0.935	81%	0.814	S	S	*	*			trans	-113.6	165.3	169.5	-69.8	-171.1	139.9	0	0	110.6
336	Q	27.8	Very low	29.9	Very low	181 Å²	181	160 Å²	160	85%	0.846	81%	0.814	S	S	*	*			trans	-123.9	133.1	-160	-176.2	177.4	-1.2	0	0	111.5
337	P	33	Very low	31.1	Very low	127 Å²	127	155.4 Å²	155.4	83%	0.825	80%	0.8	S	S	*	*			trans	-78.8	150.9	177.6	-14.7	30.7	0	0	0	114.2
338	T	28.9	Very low	30.9	Very low	142 Å²	142	156 Å²	156	87%	0.871	80%	0.803	S	S	*	*			trans	-107.4	160	-178	-36.3	0	0	0	0	112.3
339	Q	29.8	Very low	30.8	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	79%	0.793	S	S	*	*			trans	-85.6	161.4	176.7	-59.8	179.6	-90.1	0	0	114
340	P	40.1	Very low	30.8	Very low	126 Å²	126	146.9 Å²	146.9	82%	0.818	80%	0.799	S	S	*	*			trans	-92.6	172.5	149.5	37.9	-31.2	0	0	0	112.1
341	D	30.7	Very low	30.9	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	80%	0.803	S	S	*	*			trans	-140.2	173.3	-158.5	-160.7	2	0	0	0	114.2
342	L	28.5	Very low	30.9	Very low	146 Å²	146	145.4 Å²	145.4	76%	0.764	79%	0.794	S	S	*	*			trans	89.6	91.2	167.9	-53.5	173.7	0	0	0	120.6
343	E	27.3	Very low	31.2	Very low	164 Å²	164	148.3 Å²	148.3	77%	0.766	81%	0.805	S	S	*	*				35.9	160.8	110.7	-63.5	-65.6	93.9	0	0	122.5
344	P	49.1	Very low	31.2	Very low	99 Å²	99	148.1 Å²	148.1	64%	0.643	80%	0.795	S	S	*	*			cis	-142.3	173.1	-38.2	40.2	-24.1	0	0	0	114.8
345	L	24.8	Very low	31.2	Very low	176 Å²	176	147.5 Å²	147.5	92%	0.921	79%	0.792	S	S	*	*			trans	-176.6	164.1	143.9	-106.1	166.4	0	0	0	114.3
346	N	28.5	Very low	31.7	Very low	148 Å²	148	143.3 Å²	143.3	79%	0.791	78%	0.783	S	S	*	*			trans	-157.4	168.1	-173.5	-132.8	-16.4	0	0	0	108.3
347	P	55.8	Low	31.7	Very low	90 Å²	90	139.7 Å²	139.7	58%	0.584	78%	0.777	S	S	*	*			cis	-130.6	-144.3	-15.1	43.1	-24.8	0	0	0	112.4
348	F	27.2	Very low	31.5	Very low	211 Å²	211	138.7 Å²	138.7	93%	0.925	77%	0.773	S	S	*	*			trans	75.9	145.8	-179.3	-56.5	-85.5	0	0	0	116.5
349	G	25.8	Very low	31.6	Very low	69 Å²	69	138.2 Å²	138.2	71%	0.711	77%	0.77	S	S	*	*			cis	169.7	136	-12.9	0	0	0	0	0	116
350	A	28.7	Very low	31.7	Very low	98 Å²	98	138.9 Å²	138.9	81%	0.81	77%	0.773	S	S	*	*			trans	71	147.5	150.5	0	0	0	0	0	123.4
351	E	27.9	Very low	31.3	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	77%	0.771	S	S	*	*			trans	54.8	136.5	162.8	-61.4	-176.2	129.9	0	0	121.7
352	L	27.7	Very low	31.2	Very low	123 Å²	123	138.5 Å²	138.5	64%	0.644	78%	0.777	S	S	*	*			cis	104.8	110.7	28.7	-115	147.6	0	0	0	114.2
353	Q	30.7	Very low	31.4	Very low	198 Å²	198	136.9 Å²	136.9	93%	0.925	78%	0.778	S	S	*	*			trans	-158.5	162.1	146	-115.4	165.8	73.2	0	0	110.6
354	N	27.5	Very low	32.2	Very low	110 Å²	110	135 Å²	135	59%	0.588	78%	0.78	S	S	*	*			trans	-133.5	131.8	-141.6	-91.7	-30.7	0	0	0	115.9
355	F	27.2	Very low	31.6	Very low	180 Å²	180	135.7 Å²	135.7	79%	0.789	78%	0.778	S	S	*	*			trans	61.7	167.3	144.5	-72.3	-62	0	0	0	119.3
356	P	38.7	Very low	32	Very low	112 Å²	112	133 Å²	133	73%	0.727	77%	0.771	S	S	*	*			cis	-124.3	159.8	6.4	40.6	-26	0	0	0	117.9
357	S	28.8	Very low	32.4	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	77%	0.773	S	S	*	*			trans	27.1	140.3	140.7	-45.2	0	0	0	0	120.8
358	S	27.5	Very low	31.5	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	78%	0.778	S	S	*	*			cis	-170.5	179.6	41.4	56.6	0	0	0	0	114.2
359	V	31.5	Very low	31.9	Very low	133 Å²	133	133.4 Å²	133.4	81%	0.806	78%	0.777	S	S	*	*			trans	76.7	118	169.4	-171.2	0	0	0	0	117.3
360	Q	32.1	Very low	32.4	Very low	195 Å²	195	136 Å²	136	91%	0.911	78%	0.781	S	S	*	*			trans	-103.8	140.5	163.2	-68.7	176.6	-38.4	0	0	110.2
361	A	30.5	Very low	32.3	Very low	95 Å²	95	139.5 Å²	139.5	79%	0.785	79%	0.785	S	S	*	*			trans	-159.7	116.1	154.4	0	0	0	0	0	109.7
362	N	29.5	Very low	32.3	Very low	169 Å²	169	136.9 Å²	136.9	90%	0.904	79%	0.785	S	S	*	*			trans	-114.9	143	169.8	-91.3	-13.1	0	0	0	110.1
363	S	32.2	Very low	32.2	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-81.4	144.8	-176.1	52	0	0	0	0	113.9
364	P	44	Very low	32.2	Very low	124 Å²	124	133.4 Å²	133.4	81%	0.805	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-86.2	159	155.9	34.6	-31.3	0	0	0	112.6
365	D	36.4	Very low	32.2	Very low	113 Å²	113	137.6 Å²	137.6	60%	0.604	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78.7	139.5	-174.2	-174.3	-32.9	0	0	0	113	F367	D365-F367 VanDerWaalsContact C-N 3.34Å; D365-F367 PolarHBondContact O-N 2.68Å; D365-F367 WeakPolarHBondContact OD1-CB 3.38Å; D365-F367 WeakPolarHBondContact OD1-CD2 3.34Å; D365-F367 PolarHBondContact OD1-N 2.93Å
366	P	33.7	Very low	32.2	Very low	119 Å²	119	140 Å²	140	77%	0.773	81%	0.808	S	S	*	*	S	Bend	trans	-71.8	-10.3	176.9	30.1	-37.5	0	0	0	116.4	S368	P366-S368 VanDerWaalsContact C-N 3.32Å; P366-S368 PolarHBondContact O-N 3.23Å
367	F	38.1	Very low	31.7	Very low	189 Å²	189	139.9 Å²	139.9	83%	0.829	81%	0.805	S	S	*	*			trans	-85.1	51.1	-173.1	-75.6	-75.6	0	0	0	115.4	D365	D365-F367 VanDerWaalsContact C-N 3.34Å; D365-F367 PolarHBondContact O-N 2.68Å; D365-F367 WeakPolarHBondContact OD1-CB 3.38Å; D365-F367 WeakPolarHBondContact OD1-CD2 3.34Å; D365-F367 PolarHBondContact OD1-N 2.93Å
368	S	35.6	Very low	31.6	Very low	100 Å²	100	145 Å²	145	70%	0.699	81%	0.808	S	S	*	*			trans	-124.1	111.6	174.8	56.1	0	0	0	0	113.4	P366	P366-S368 VanDerWaalsContact C-N 3.32Å; P366-S368 PolarHBondContact O-N 3.23Å
369	L	35.4	Very low	31.6	Very low	170 Å²	170	148 Å²	148	89%	0.89	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.8	137.3	172.2	-67.6	175.3	0	0	0	110.5
370	P	35.8	Very low	31.4	Very low	124 Å²	124	148.4 Å²	148.4	81%	0.805	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.3	130.5	-180	31.5	-33.6	0	0	0	112.4
371	L	28.3	Very low	31.1	Very low	170 Å²	170	144.9 Å²	144.9	89%	0.89	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.3	141.2	164.8	-77.8	168.5	0	0	0	110.5
372	C	26.8	Very low	31	Very low	127 Å²	127	145.9 Å²	145.9	86%	0.858	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-87.7	127.1	179.3	-166.7	0	0	0	0	110.7
373	S	26.7	Very low	30.8	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	81%	0.806	S	S	*	*			trans	-120.3	125.5	179.1	-63.8	0	0	0	0	110.8
374	T	30.3	Very low	30.7	Very low	134 Å²	134	145.2 Å²	145.2	82%	0.822	81%	0.808	S	S	*	*			trans	-98.5	127.3	173.3	52.9	0	0	0	0	111.2
375	E	26.2	Very low	29.9	Very low	198 Å²	198	144.5 Å²	144.5	93%	0.925	81%	0.813	S	S	*	*			trans	-153.2	167	142.1	-127.2	179.5	-176.5	0	0	113.8
376	R	27.7	Very low	29.7	Very low	230 Å²	230	143.6 Å²	143.6	87%	0.868	82%	0.821	S	S	*	*			trans	-91.2	173.3	178.5	-67.6	169.6	163.4	169.8	-6.2	108.6
377	V	28.5	Very low	30.6	Very low	110 Å²	110	143.4 Å²	143.4	67%	0.667	82%	0.82	S	S	*	*				-174.6	131.6	67.1	161.8	0	0	0	0	110.8
378	R	27.8	Very low	30.2	Very low	211 Å²	211	145.2 Å²	145.2	80%	0.796	82%	0.821	S	S	*	*			trans	44.3	136.6	153.7	-62.4	166.5	-174.4	152.2	-0.2	121.1
379	N	25.6	Very low	30	Very low	171 Å²	171	149.9 Å²	149.9	91%	0.914	82%	0.823	S	S	*	*				-138.7	162.2	109.5	-109.8	-34.8	0	0	0	110.7
380	L	28.5	Very low	29.8	Very low	140 Å²	140	148.2 Å²	148.2	73%	0.733	81%	0.811	S	S	*	*			trans	-110.3	151.5	-175.4	-72.9	107.4	0	0	0	112.9
381	S	25.4	Very low	29.7	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	80%	0.802	S	S	*	*			trans	-144.2	164.1	139.5	70.8	0	0	0	0	109.7
382	V	29	Very low	29.8	Very low	115 Å²	115	145.4 Å²	145.4	70%	0.697	80%	0.797	S	S	*	*			trans	-141.5	137.6	-167.6	173	0	0	0	0	110.4
383	T	25.5	Very low	29.8	Very low	149 Å²	149	144.1 Å²	144.1	91%	0.914	79%	0.789	S	S	*	*			trans	-151.5	154.4	151.8	16.2	0	0	0	0	109.6
384	S	29.3	Very low	30.1	Very low	119 Å²	119	149 Å²	149	83%	0.832	79%	0.791	S	S	*	*			trans	-135.3	152	-174.6	61.3	0	0	0	0	112.1
385	A	27.7	Very low	30.2	Very low	109 Å²	109	147.1 Å²	147.1	90%	0.901	78%	0.784	S	S	*	*			trans	-154.2	136.5	160.1	0	0	0	0	0	110.4
386	A	32.7	Very low	30.5	Very low	94 Å²	94	142 Å²	142	78%	0.777	77%	0.769	S	S	*	*			trans	-141	159.7	163.9	0	0	0	0	0	107.1
387	P	51.3	Low	30.8	Very low	115 Å²	115	139 Å²	139	75%	0.747	77%	0.767	S	S	*	*				-151.7	153.1	109.8	37.7	-21.5	0	0	0	116.3
388	R	31.1	Very low	30.8	Very low	227 Å²	227	144.5 Å²	144.5	86%	0.857	78%	0.776	S	S	*	*				41.4	145.5	129.6	-61.7	173.8	171.5	163.2	-3.3	119.5
389	R	30.7	Very low	30.9	Very low	198 Å²	198	144.2 Å²	144.2	75%	0.747	78%	0.781	S	S	*	*			cis	-174.4	156.9	38.7	-138.5	175.2	-161.1	-125.4	18	111.3
390	Q	31.3	Very low	32.3	Very low	136 Å²	136	141.3 Å²	141.3	64%	0.636	77%	0.771	S	S	*	*			trans	38.9	125.4	147.7	-69.8	165.5	-47.8	0	0	120.5
391	S	32.8	Very low	33.5	Very low	88 Å²	88	139.4 Å²	139.4	62%	0.615	77%	0.767	S	S	*	*				71.5	144.2	57.2	84.7	0	0	0	0	113.5
392	D	30.2	Very low	34	Very low	146 Å²	146	139 Å²	139	78%	0.781	76%	0.764	S	S	*	*			cis	-161.5	-179.7	28.5	-84.3	-66.9	0	0	0	110.3
393	C	27.9	Very low	34.2	Very low	101 Å²	101	138 Å²	138	68%	0.682	76%	0.763	S	S	*	*			cis	-176.3	-179.1	-27.8	-173.2	0	0	0	0	109.7
394	Y	32.2	Very low	34.5	Very low	216 Å²	216	139.9 Å²	139.9	85%	0.847	76%	0.761	S	S	*	*			trans	69.4	157.3	177.4	-85.2	-93.2	0	0	0	117.8
395	S	32.1	Very low	34.6	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	76%	0.757	S	S	*	*			cis	-154.4	148.1	11.5	-159.2	0	0	0	0	115.3
396	S	33	Very low	34.7	Very low	90 Å²	90	142 Å²	142	63%	0.629	76%	0.756	S	S	*	*			trans	35.7	138.6	137.3	-170.6	0	0	0	0	121.9
397	M	33.4	Very low	34.5	Very low	168 Å²	168	140.8 Å²	140.8	83%	0.828	75%	0.753	S	S	*	*			cis	-166.3	-166.5	-6.8	-106.8	-163.4	-79.9	0	0	107.3
398	R	29	Very low	33.4	Very low	224 Å²	224	141.2 Å²	141.2	85%	0.845	76%	0.759	S	S	*	*			cis	-154	-176.3	27.2	-71.2	-179	172.4	-178.4	-1.8	112.1
399	F	30.9	Very low	33.4	Very low	206 Å²	206	134.5 Å²	134.5	90%	0.904	75%	0.752	S	S	*	*			trans	-138.7	-169.5	173.6	-93.2	-77.6	0	0	0	108.8
400	P	53.9	Low	33.3	Very low	109 Å²	109	130.9 Å²	130.9	71%	0.708	76%	0.757	S	S	*	*			cis	-143	-150	14.9	49.8	-29.3	0	0	0	113.3
401	P	54.9	Low	33.2	Very low	100 Å²	100	128.4 Å²	128.4	65%	0.649	76%	0.76	S	S	*	*			cis	-133.3	166	-17.3	39.7	-23.3	0	0	0	117
402	S	34.6	Very low	33.1	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	77%	0.773	S	S	*	*			trans	56.5	145.1	146.4	52.2	0	0	0	0	121.7
403	S	33.7	Very low	32.9	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	77%	0.774	S	S	*	*			cis	-161.5	146.6	2.4	44.8	0	0	0	0	112.4
404	E	31	Very low	32.9	Very low	187 Å²	187	140.3 Å²	140.3	87%	0.874	78%	0.775	S	S	*	*			trans	48.6	140.9	137.5	-63	173.4	168.9	0	0	121.4
405	S	31.8	Very low	32.7	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	77%	0.766	S	S	*	*			cis	-160.3	165.9	-3.5	48.7	0	0	0	0	112.3
406	D	30.3	Very low	32.6	Very low	167 Å²	167	138.2 Å²	138.2	89%	0.893	78%	0.777	S	S	*	*			trans	4.6	152.9	162.5	-57.3	-23.7	0	0	0	123
407	G	28.4	Very low	32.4	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	79%	0.787	S	S	*	*			cis	164.8	101.8	-2.3	0	0	0	0	0	116.3
408	S	29.2	Very low	32.4	Very low	124 Å²	124	134.1 Å²	134.1	87%	0.867	78%	0.784	S	S	*	*			trans	72.5	124	147.3	-146.9	0	0	0	0	123.7
409	A	30.2	Very low	32.7	Very low	85 Å²	85	130.5 Å²	130.5	70%	0.702	78%	0.781	S	S	*	*			trans	81.6	110.8	135.4	0	0	0	0	0	124.5
410	S	29.3	Very low	32.9	Very low	122 Å²	122	125.4 Å²	125.4	85%	0.853	77%	0.769	S	S	*	*				66	117.6	129.9	-74.7	0	0	0	0	123
411	A	29.1	Very low	31.9	Very low	84 Å²	84	127.8 Å²	127.8	69%	0.694	78%	0.775	S	S	*	*				147.7	133.9	102.9	0	0	0	0	0	116.8
412	R	29.2	Very low	31.4	Very low	236 Å²	236	133.8 Å²	133.8	89%	0.891	79%	0.785	S	S	*	*			trans	64.7	105.7	148.9	-62.1	174.7	-154.7	-178.5	8.3	122.4
413	R	26.7	Very low	31.8	Very low	217 Å²	217	131.7 Å²	131.7	82%	0.819	77%	0.774	S	S	*	*				71.6	135.4	107.5	-140.8	-160.7	-174.1	-149.9	2.6	121.3
414	L	27.4	Very low	31.8	Very low	132 Å²	132	133.6 Å²	133.6	69%	0.691	78%	0.776	S	S	*	*			trans	80	142.3	163	-50.6	-176.3	0	0	0	116.1
415	S	28.7	Very low	32	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	78%	0.775	S	S	*	*			cis	-165.5	164.2	-2.3	-121.7	0	0	0	0	115.3
416	L	31	Very low	32.6	Very low	173 Å²	173	136 Å²	136	91%	0.906	78%	0.779	S	S	*	*			trans	78	122.5	149.7	-72.3	160.2	0	0	0	122.3
417	G	27.6	Very low	32.7	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	77%	0.767	S	S	*	*			trans	100.2	123.6	162.9	0	0	0	0	0	114.7
418	A	32.9	Very low	33.4	Very low	91 Å²	91	136.3 Å²	136.3	75%	0.752	78%	0.775	S	S	*	*			cis	-154.1	-167.8	-5.7	0	0	0	0	0	110.9
419	D	35.4	Very low	34	Very low	149 Å²	149	136.8 Å²	136.8	80%	0.797	77%	0.768	S	S	*	*			trans	73.4	147.1	169.4	-62.1	-19.9	0	0	0	120.6	L421	D419-L421 PolarHBondContact O-N 2.79Å
420	P	35	Very low	34.8	Very low	98 Å²	98	139.3 Å²	139.3	64%	0.636	77%	0.774	S	S	*	*			trans	-85	109	-173.1	32.7	-34.6	0	0	0	113.3	W422	P420-W422 VanDerWaalsContact C-N 3.32Å; P420-W422 PolarHBondContact O-N 3.18Å
421	L	34.1	Very low	36	Very low	160 Å²	160	140 Å²	140	84%	0.838	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	73	178.2	-66	172.2	0	0	0	113.7	D419	D419-L421 PolarHBondContact O-N 2.79Å
422	W	43.8	Very low	38.1	Very low	226 Å²	226	138 Å²	138	86%	0.856	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-6	154.8	64.4	-94.8	0	0	0	113.2	P420	P420-W422 VanDerWaalsContact C-N 3.32Å; P420-W422 PolarHBondContact O-N 3.18Å
423	A	42.1	Very low	41.1	Very low	68 Å²	68	126.8 Å²	126.8	56%	0.562	71%	0.705	S	S	*	*	S	Bend	trans	-111.1	68.4	174.7	0	0	0	0	0	111.5
424	N	34.1	Very low	44.5	Very low	136 Å²	136	116.5 Å²	116.5	73%	0.727	67%	0.666	S	S	*	*			trans	168	105.5	150.3	-90.2	-32.4	0	0	0	110.9
425	Y	35	Very low	47.8	Very low	214 Å²	214	110.2 Å²	110.2	84%	0.839	63%	0.633	S	S	*	*			trans	-148.2	94.8	157.7	-109.3	-74.5	0	0	0	110.8	D427	Y425-D427 VanDerWaalsContact C-N 3.33Å; Y425-D427 PolarHBondContact O-N 3.33Å
426	P	45.5	Very low	51.2	Low	129 Å²	129	105.8 Å²	105.8	84%	0.838	60%	0.602	S	S	*	*			trans	-85.1	75.7	167.8	34.7	-31.8	0	0	0	109.6
427	D	32.9	Very low	54.4	Low	118 Å²	118	97.5 Å²	97.5	63%	0.631	56%	0.559	S	S	*	*			trans	-147.8	96.6	166.5	-147.2	-21.1	0	0	0	111.7	Y425 N429	Y425-D427 VanDerWaalsContact C-N 3.33Å; Y425-D427 PolarHBondContact O-N 3.33Å; D427-N429 PolarHBondContact O-N 2.9Å
428	S	43.3	Very low	57.8	Low	125 Å²	125	93.8 Å²	93.8	87%	0.874	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	48.1	-172.3	61.2	0	0	0	0	112.4
429	N	40.5	Very low	60.9	Low	135 Å²	135	89.4 Å²	89.4	72%	0.722	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.7	21.6	-170.5	-132.1	-12.6	0	0	0	115.9	D427 Q431	D427-N429 PolarHBondContact O-N 2.9Å; N429-Q431 PolarHBondContact O-N 3.4Å
430	V	47.2	Very low	63.9	Low	137 Å²	137	82.7 Å²	82.7	83%	0.83	45%	0.447	S	S	*	.			trans	-74	111.9	157.8	178.3	0	0	0	0	107.4	A432	V430-A432 PolarHBondContact O-N 2.96Å
431	Q	54.7	Low	66.8	Low	138 Å²	138	78 Å²	78	65%	0.645	42%	0.417	S	S	*	.			trans	-69.9	75.4	-177.5	-167.7	175.5	12.7	0	0	111.2	N429 G433	N429-Q431 PolarHBondContact O-N 3.4Å; Q431-G433 PolarHBondContact O-N 3.26Å
432	A	72.7	Confident	69.7	Low	40 Å²	40	71.4 Å²	71.4	33%	0.331	38%	0.383	S	S	.	.			trans	-66.1	95.1	179.4	0	0	0	0	0	110.1	V430 L688	V430-A432 PolarHBondContact O-N 2.96Å; A432-L688 WeakPolarHBondContact O-CD1 3.45Å; A432-L688 WeakPolarHBondContact O-CD2 3.48Å; A432-L688 WeakPolarHBondContact O-CG 3.44Å
433	G	93.1	Very high	72.2	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.021	36%	0.357	C	S	.	.			trans	-86.8	172.9	173	0	0	0	0	0	113.3	Q431 E468 R692	Q431-G433 PolarHBondContact O-N 3.26Å; G433-E468 CarbonylContact C-O 3.42Å; G433-E468 VanDerWaalsContact C-O 3.26Å; G433-E468 WeakPolarHBondContact CA-O 3.38Å; G433-R692 WeakPolarHBondContact O-CD 3.37Å; G433-R692 WeakPolarHBondContact O-CG 3.48Å
434	F	96.8	Very high	74.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	153.2	-179.5	73.4	-85.8	0	0	0	112.4	E468 F469 Q470 L644 I670 L673 L688	F434-E468 HydrophobicContact CD1-CB 3.99Å; F434-E468 WeakPolarHBondContact CD1-O 3.3Å; F434-E468 HydrophobicContact CE1-CB 4.24Å; F434-E468 PolarHBondContact N-O 2.87Å; F434-F469 HydrophobicContact CE1-CB 4.21Å; F434-F469 AromaticContact CE2-CD2 3.73Å; F434-F469 HydrophobicContact CE2-CD2 3.73Å; F434-F469 HydrophobicContact CE2-CE2 4.43Å; F434-F469 HydrophobicContact CZ-CB 4.06Å; F434-F469 AromaticContact CZ-CD2 3.78Å; F434-F469 HydrophobicContact CZ-CD2 3.78Å; F434-F469 HydrophobicContact CZ-CG 4.44Å; F434-Q470 PolarHBondContact O-N 2.71Å; F434-L644 HydrophobicContact CD2-CD2 3.68Å; F434-L644 HydrophobicContact CE2-CD2 4.09Å; F434-L644 HydrophobicContact CG-CD2 4.45Å; F434-I670 HydrophobicContact CD1-CD1 4.47Å; F434-I670 HydrophobicContact CE1-CB 3.9Å; F434-I670 HydrophobicContact CE1-CD1 4.2Å; F434-I670 HydrophobicContact CZ-CB 4.19Å; F434-L673 HydrophobicContact CB-CD1 4.49Å; F434-L688 HydrophobicContact CB-CD1 3.86Å
435	I	98	Very high	77.8	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.9	163.9	-68.8	174.9	0	0	0	106.7	T437 Q470 G471 I473 W498 T695 I701	I435-T437 PolarHBondContact O-N 3.46Å; I435-Q470 HydrophobicContact CG1-CB 4.25Å; I435-G471 CarbonylContact C-O 3.55Å; I435-G471 VanDerWaalsContact CA-O 3.32Å; I435-G471 WeakPolarHBondContact CA-O 3.43Å; I435-I473 HydrophobicContact CG2-CG1 4.43Å; I435-W498 HydrophobicContact CD1-CH2 4.09Å; I435-W498 HydrophobicContact CD1-CZ3 3.91Å; I435-W498 HydrophobicContact CG1-CZ3 4.48Å; I435-T695 HydrophobicContact CB-CG2 4.18Å; I435-T695 HydrophobicContact CG2-CG2 4.37Å; I435-I701 HydrophobicContact CD1-CD1 4.02Å; I435-I701 HydrophobicContact CD1-CG1 4.07Å; I435-I701 HydrophobicContact CG2-CD1 4.29Å
436	D	98.7	Very high	80.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	110.6	170	175	3.7	0	0	0	109.1	H438 F469 G471 C472 I473 E645 T646 P666	D436-H438 VanDerWaalsContact C-N 3.29Å; D436-H438 PolarHBondContact O-N 3.22Å; D436-H438 PolarHBondContact OD1-N 3.43Å; D436-H438 VanDerWaalsContact OD1-N 3.13Å; D436-F469 HydrophobicContact CB-CE2 4.42Å; D436-G471 PolarHBondContact N-O 2.88Å; D436-C472 HydrophobicContact CB-CB 3.93Å; D436-C472 CarbonylContact O-C 2.82Å; D436-C472 VanDerWaalsContact O-CA 3.26Å; D436-C472 WeakPolarHBondContact O-CA 3.48Å; D436-I473 PolarHBondContact O-N 3.43Å; D436-E645 WeakPolarHBondContact OD1-CA 3.39Å; D436-T646 PolarHBondContact OD1-N 3.23Å; D436-T646 WeakPolarHBondContact OD2-CB 3.23Å; D436-T646 WeakPolarHBondContact OD2-CG2 3.29Å; D436-T646 PolarHBondContact OD2-OG1 3.39Å; D436-P666 HydrophobicContact CB-CB 4Å; D436-P666 WeakPolarHBondContact OD2-CA 3.42Å; D436-P666 VanDerWaalsContact OD2-CB 3.28Å; D436-P666 WeakPolarHBondContact OD2-CB 2.89Å
437	T	98.7	Very high	83	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-5.3	-173.4	57.2	0	0	0	0	114.8	I435 V643 L644 T695 Y699	I435-T437 PolarHBondContact O-N 3.46Å; T437-V643 HydrophobicContact CG2-CB 4.19Å; T437-L644 PolarHBondContact N-O 2.93Å; T437-L644 PolarHBondContact OG1-O 2.91Å; T437-T695 HydrophobicContact CG2-CG2 3.79Å; T437-T695 VanDerWaalsContact CG2-OG1 3.28Å; T437-T695 WeakPolarHBondContact CG2-OG1 3.03Å; T437-Y699 HydrophobicContact CG2-CD2 4.39Å; T437-Y699 HydrophobicContact CG2-CE2 3.85Å
438	H	98.8	Very high	86	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.009	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	115.9	174.6	-162.1	104	0	0	0	112.3	D436 H440 E533 V568 H595 E645 D647	D436-H438 VanDerWaalsContact C-N 3.29Å; D436-H438 PolarHBondContact O-N 3.22Å; D436-H438 PolarHBondContact OD1-N 3.43Å; D436-H438 VanDerWaalsContact OD1-N 3.13Å; H438-H440 AromaticContact CD2-NE2 3.88Å; H438-H440 AromaticContact NE2-CE1 3.43Å; H438-H440 PolarHBondContact NE2-CE1 2.79Å; H438-H440 AromaticContact NE2-NE2 3.32Å; H438-H440 PolarHBondContact NE2-NE2 3.35Å; H438-E533 IonicContact CE1-OE2 3.22Å; H438-E533 PolarHBondContact CE1-OE2 3.29Å; H438-E533 IonicContact NE2-OE2 3.61Å; H438-E533 PolarHBondContact NE2-OE2 2.85Å; H438-V568 WeakPolarHBondContact ND1-CG1 3.34Å; H438-H595 AromaticContact CD2-CE1 3.21Å; H438-H595 PolarHBondContact CD2-CE1 3.14Å; H438-H595 AromaticContact CD2-ND1 3.35Å; H438-H595 PolarHBondContact CD2-ND1 3.42Å; H438-H595 VanDerWaalsContact CD2-ND1 3.35Å; H438-H595 AromaticContact CE1-CE1 3.74Å; H438-H595 AromaticContact CE1-CG 3.82Å; H438-H595 AromaticContact CE1-ND1 3.6Å; H438-H595 AromaticContact CG-CE1 3.66Å; H438-H595 AromaticContact CG-ND1 3.27Å; H438-H595 VanDerWaalsContact CG-ND1 3.27Å; H438-H595 AromaticContact ND1-CE1 3.99Å; H438-H595 AromaticContact ND1-CG 3.81Å; H438-H595 AromaticContact ND1-ND1 3.46Å; H438-H595 PolarHBondContact ND1-ND1 2.93Å; H438-H595 AromaticContact NE2-CE1 3.26Å; H438-H595 PolarHBondContact NE2-CE1 3.32Å; H438-H595 VanDerWaalsContact NE2-CE1 3.26Å; H438-H595 AromaticContact NE2-ND1 3.55Å; H438-H595 AromaticContact NE2-NE2 3.77Å; H438-E645 HydrophobicContact CB-CB 3.82Å; H438-E645 WeakPolarHBondContact CB-OE2 3.45Å; H438-E645 IonicContact CG-OE2 3.48Å; H438-D647 IonicContact CD2-OD1 2.8Å; H438-D647 VanDerWaalsContact O-CA 3.31Å; H438-D647 WeakPolarHBondContact O-CA 3.45Å; H438-D647 PolarHBondContact O-N 2.98Å
439	C	98.6	Very high	88.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	172.1	166.6	64.1	0	0	0	0	110.7	I473 T474 D475 A648 P666	C439-I473 PolarHBondContact N-O 3.17Å; C439-I473 VanDerWaalsContact N-O 3.14Å; C439-T474 CarbonylContact O-C 3.39Å; C439-T474 VanDerWaalsContact O-CA 3.25Å; C439-T474 WeakPolarHBondContact O-CA 3.3Å; C439-D475 PolarHBondContact O-N 3.4Å; C439-A648 HydrophobicContact CB-CB 4.1Å; C439-P666 HydrophobicContact CB-CG 3.92Å; C439-P666 WeakPolarHBondContact SG-CG 3.43Å
440	H	97.9	Very high	91	Very high	7 Å²	7	34 Å²	34	3%	0.032	21%	0.208	C	C	.	.			trans	-126	84.8	177.8	-54.9	-79.6	0	0	0	109.4	H438 D442 M443 L444 D475 E533 D647 A648	H438-H440 AromaticContact CD2-NE2 3.88Å; H438-H440 AromaticContact NE2-CE1 3.43Å; H438-H440 PolarHBondContact NE2-CE1 2.79Å; H438-H440 AromaticContact NE2-NE2 3.32Å; H438-H440 PolarHBondContact NE2-NE2 3.35Å; H440-D442 VanDerWaalsContact C-N 3.26Å; H440-D442 PolarHBondContact O-N 3.2Å; H440-M443 HydrophobicContact CB-CB 3.81Å; H440-M443 HydrophobicContact CB-CG 3.79Å; H440-M443 HydrophobicContact CB-SD 4.11Å; H440-M443 PolarHBondContact O-N 3.18Å; H440-L444 WeakPolarHBondContact O-CB 3.31Å; H440-L444 PolarHBondContact O-N 3.22Å; H440-D475 IonicContact CE1-OD2 3.11Å; H440-D475 PolarHBondContact CE1-OD2 3.04Å; H440-D475 PolarHBondContact ND1-O 3.04Å; H440-D475 VanDerWaalsContact ND1-O 3.09Å; H440-D475 IonicContact ND1-OD2 3.39Å; H440-D475 PolarHBondContact ND1-OD2 3.42Å; H440-E533 IonicContact CE1-OE2 3.13Å; H440-E533 IonicContact NE2-OE2 3.78Å; H440-D647 IonicContact CD2-OD1 3.48Å; H440-D647 IonicContact NE2-OD1 2.73Å; H440-D647 PolarHBondContact NE2-OD1 2.85Å; H440-A648 PolarHBondContact N-O 2.77Å
441	L	97.4	Very high	93.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-33	-178.3	-71	-179.7	0	0	0	112.3	L444 Y445 F454 T474 L491 V497 P666	L441-L444 HydrophobicContact CD2-CD2 4.14Å; L441-L444 PolarHBondContact O-N 2.77Å; L441-Y445 HydrophobicContact CD2-CE1 4.34Å; L441-Y445 VanDerWaalsContact O-CB 3.28Å; L441-Y445 WeakPolarHBondContact O-CB 3.18Å; L441-Y445 WeakPolarHBondContact O-CD1 3.17Å; L441-Y445 VanDerWaalsContact O-CG 3.23Å; L441-Y445 PolarHBondContact O-N 2.64Å; L441-F454 HydrophobicContact CD1-CD2 4.12Å; L441-F454 HydrophobicContact CD1-CE2 4.29Å; L441-F454 HydrophobicContact CD2-CD2 4.3Å; L441-F454 HydrophobicContact CD2-CE2 4.07Å; L441-T474 WeakPolarHBondContact CB-OG1 3.46Å; L441-T474 HydrophobicContact CD1-CG2 4.18Å; L441-T474 PolarHBondContact N-OG1 2.82Å; L441-L491 HydrophobicContact CB-CD1 4.1Å; L441-L491 HydrophobicContact CB-CD2 4.12Å; L441-L491 HydrophobicContact CD1-CD2 4.15Å; L441-V497 HydrophobicContact CD1-CG1 4Å; L441-V497 HydrophobicContact CD1-CG2 4.36Å; L441-P666 HydrophobicContact CD2-CG 4Å
442	D	94.9	Very high	95.1	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-46.6	174.7	73	-43.2	0	0	0	111.9	H440 G446 F476 I481 L487	H440-D442 VanDerWaalsContact C-N 3.26Å; H440-D442 PolarHBondContact O-N 3.2Å; D442-G446 PolarHBondContact O-N 2.95Å; D442-F476 HydrophobicContact CB-CD1 4.5Å; D442-F476 HydrophobicContact CB-CE1 4.25Å; D442-I481 WeakPolarHBondContact OD2-CD1 3.13Å; D442-L487 HydrophobicContact CB-CD2 3.85Å
443	M	95.9	Very high	96.2	Very high	64 Å²	64	34.8 Å²	34.8	32%	0.315	20%	0.202	S	C	.	.	H	α-helix	trans	-69.4	-37.1	177.6	-60.6	-164.1	90.4	0	0	111.7	H440 K447 P649 Y650	H440-M443 HydrophobicContact CB-CB 3.81Å; H440-M443 HydrophobicContact CB-CG 3.79Å; H440-M443 HydrophobicContact CB-SD 4.11Å; H440-M443 PolarHBondContact O-N 3.18Å; M443-K447 WeakPolarHBondContact O-CB 3.46Å; M443-K447 VanDerWaalsContact O-CG 3.25Å; M443-K447 WeakPolarHBondContact O-CG 3.06Å; M443-K447 PolarHBondContact O-N 3.17Å; M443-P649 HydrophobicContact CB-CG 4.15Å; M443-Y650 WeakPolarHBondContact CE-OH 3.32Å; M443-Y650 HydrophobicContact SD-CE2 4.48Å
444	L	96.8	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-50.4	175.8	173.4	59.6	0	0	0	111	H440 L441 G446 K447 L448 F457 P649 F663 S664 H665	H440-L444 WeakPolarHBondContact O-CB 3.31Å; H440-L444 PolarHBondContact O-N 3.22Å; L441-L444 HydrophobicContact CD2-CD2 4.14Å; L441-L444 PolarHBondContact O-N 2.77Å; L444-G446 VanDerWaalsContact C-N 3.33Å; L444-G446 PolarHBondContact O-N 2.83Å; L444-K447 PolarHBondContact O-N 2.93Å; L444-L448 HydrophobicContact CD1-CD1 3.59Å; L444-L448 HydrophobicContact CD1-CG 4.18Å; L444-L448 HydrophobicContact CG-CD1 4.1Å; L444-L448 WeakPolarHBondContact O-CB 3.04Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.87Å; L444-F457 HydrophobicContact CD2-CE1 4.37Å; L444-F457 HydrophobicContact CD2-CE2 4.31Å; L444-F457 HydrophobicContact CD2-CZ 3.78Å; L444-F457 HydrophobicContact CG-CE2 4.46Å; L444-F457 HydrophobicContact CG-CZ 4.3Å; L444-P649 HydrophobicContact CB-CB 4.11Å; L444-P649 HydrophobicContact CB-CG 4.45Å; L444-P649 HydrophobicContact CD1-CB 3.86Å; L444-F663 HydrophobicContact CD1-CB 4.05Å; L444-S664 VanDerWaalsContact CD1-O 3.28Å; L444-S664 WeakPolarHBondContact CD1-O 3.45Å; L444-H665 HydrophobicContact CD2-CB 3.74Å
445	Y	95.8	Very high	96.4	Very high	22 Å²	22	36 Å²	36	9%	0.086	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-42	178.3	-73	11.1	0	0	0	110.6	L441 L448 G449 F450 F454 F457 L491	L441-Y445 HydrophobicContact CD2-CE1 4.34Å; L441-Y445 VanDerWaalsContact O-CB 3.28Å; L441-Y445 WeakPolarHBondContact O-CB 3.18Å; L441-Y445 WeakPolarHBondContact O-CD1 3.17Å; L441-Y445 VanDerWaalsContact O-CG 3.23Å; L441-Y445 PolarHBondContact O-N 2.64Å; Y445-L448 PolarHBondContact O-N 2.86Å; Y445-G449 CarbonylContact O-C 3.33Å; Y445-G449 WeakPolarHBondContact O-CA 3.27Å; Y445-G449 PolarHBondContact O-N 3.41Å; Y445-F450 HydrophobicContact CD1-CB 4.44Å; Y445-F450 AromaticContact CD1-CD1 3.81Å; Y445-F450 HydrophobicContact CD1-CD1 3.81Å; Y445-F450 HydrophobicContact CD1-CG 4.47Å; Y445-F450 AromaticContact CD2-CD1 3.77Å; Y445-F450 HydrophobicContact CD2-CD1 3.77Å; Y445-F450 HydrophobicContact CD2-CE1 4.34Å; Y445-F450 AromaticContact CE1-CD1 3.84Å; Y445-F450 HydrophobicContact CE1-CD1 3.84Å; Y445-F450 HydrophobicContact CE1-CE1 4.15Å; Y445-F450 AromaticContact CE2-CD1 3.77Å; Y445-F450 HydrophobicContact CE2-CD1 3.77Å; Y445-F450 AromaticContact CE2-CE1 3.89Å; Y445-F450 HydrophobicContact CE2-CE1 3.89Å; Y445-F450 HydrophobicContact CG-CB 4.39Å; Y445-F450 AromaticContact CG-CD1 3.78Å; Y445-F450 HydrophobicContact CG-CD1 3.78Å; Y445-F450 AromaticContact CZ-CD1 3.82Å; Y445-F450 AromaticContact CZ-CE1 3.79Å; Y445-F450 PolarHBondContact O-N 3.02Å; Y445-F454 VanDerWaalsContact OH-CA 3.32Å; Y445-F454 WeakPolarHBondContact OH-CA 2.99Å; Y445-F457 HydrophobicContact CD1-CD2 4.02Å; Y445-F457 HydrophobicContact CD1-CE2 4.14Å; Y445-F457 HydrophobicContact CE1-CB 4.23Å; Y445-F457 AromaticContact CE1-CD2 3.38Å; Y445-F457 HydrophobicContact CE1-CD2 3.38Å; Y445-F457 AromaticContact CE1-CE2 3.83Å; Y445-F457 HydrophobicContact CE1-CE2 3.83Å; Y445-F457 AromaticContact CE1-CG 3.81Å; Y445-F457 HydrophobicContact CE1-CG 3.81Å; Y445-L491 HydrophobicContact CD2-CD2 4.38Å; Y445-L491 HydrophobicContact CE2-CD2 3.75Å
446	G	94.5	Very high	96.3	Very high	59 Å²	59	42.9 Å²	42.9	61%	0.608	24%	0.239	S	C	*	.	H	α-helix	trans	-58.5	-45.7	173.5	0	0	0	0	0	113.5	D442 L444 L448 G449	D442-G446 PolarHBondContact O-N 2.95Å; L444-G446 VanDerWaalsContact C-N 3.33Å; L444-G446 PolarHBondContact O-N 2.83Å; G446-L448 PolarHBondContact O-N 3.46Å; G446-G449 PolarHBondContact O-N 2.95Å
447	K	95.5	Very high	96.3	Very high	75 Å²	75	42.9 Å²	42.9	33%	0.326	24%	0.239	S	C	.	.	H	α-helix	trans	-71.9	-24.6	178.9	-73.8	176	-165.4	166.4	0	113.9	M443 L444 P649 Y650 F663	M443-K447 WeakPolarHBondContact O-CB 3.46Å; M443-K447 VanDerWaalsContact O-CG 3.25Å; M443-K447 WeakPolarHBondContact O-CG 3.06Å; M443-K447 PolarHBondContact O-N 3.17Å; L444-K447 PolarHBondContact O-N 2.93Å; K447-P649 HydrophobicContact CD-CB 4.14Å; K447-P649 HydrophobicContact CD-CG 3.67Å; K447-P649 VanDerWaalsContact NZ-CG 3.27Å; K447-Y650 PolarHBondContact NZ-OH 2.95Å; K447-F663 HydrophobicContact CB-CD2 4.21Å; K447-F663 HydrophobicContact CB-CE1 4.46Å; K447-F663 HydrophobicContact CB-CE2 3.7Å; K447-F663 HydrophobicContact CB-CZ 3.85Å; K447-F663 HydrophobicContact CD-CE1 4.2Å; K447-F663 HydrophobicContact CD-CZ 4.36Å; K447-F663 HydrophobicContact CG-CZ 4.49Å; K447-F663 WeakPolarHBondContact O-CE2 3.43Å
448	L	95.4	Very high	96.2	Very high	49 Å²	49	46.5 Å²	46.5	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-89.6	-15.3	174	-72.8	172.2	0	0	0	113.6	L444 Y445 G446 F450 F457 Y461 F663	L444-L448 HydrophobicContact CD1-CD1 3.59Å; L444-L448 HydrophobicContact CD1-CG 4.18Å; L444-L448 HydrophobicContact CG-CD1 4.1Å; L444-L448 WeakPolarHBondContact O-CB 3.04Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.87Å; Y445-L448 PolarHBondContact O-N 2.86Å; G446-L448 PolarHBondContact O-N 3.46Å; L448-F450 HydrophobicContact CB-CB 4.12Å; L448-F450 PolarHBondContact O-N 3.31Å; L448-F457 HydrophobicContact CD1-CE2 3.73Å; L448-F457 HydrophobicContact CD1-CZ 4.18Å; L448-Y461 HydrophobicContact CD1-CE2 4.37Å; L448-F663 HydrophobicContact CD2-CD2 3.77Å; L448-F663 HydrophobicContact CD2-CE2 4.2Å; L448-F663 HydrophobicContact CG-CD2 4.05Å
449	G	95.3	Very high	96.1	Very high	60 Å²	60	53 Å²	53	62%	0.619	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	15.9	-166.7	0	0	0	0	0	113.5	Y445 G446	Y445-G449 CarbonylContact O-C 3.33Å; Y445-G449 WeakPolarHBondContact O-CA 3.27Å; Y445-G449 PolarHBondContact O-N 3.41Å; G446-G449 PolarHBondContact O-N 2.95Å
450	F	95.1	Very high	95.9	Very high	36 Å²	36	56.9 Å²	56.9	16%	0.158	31%	0.308	C	S	.	.			trans	-71	141.6	-174.7	-178.9	-95.1	0	0	0	111.5	Y445 L448 R456 F457	Y445-F450 HydrophobicContact CD1-CB 4.44Å; Y445-F450 AromaticContact CD1-CD1 3.81Å; Y445-F450 HydrophobicContact CD1-CD1 3.81Å; Y445-F450 HydrophobicContact CD1-CG 4.47Å; Y445-F450 AromaticContact CD2-CD1 3.77Å; Y445-F450 HydrophobicContact CD2-CD1 3.77Å; Y445-F450 HydrophobicContact CD2-CE1 4.34Å; Y445-F450 AromaticContact CE1-CD1 3.84Å; Y445-F450 HydrophobicContact CE1-CD1 3.84Å; Y445-F450 HydrophobicContact CE1-CE1 4.15Å; Y445-F450 AromaticContact CE2-CD1 3.77Å; Y445-F450 HydrophobicContact CE2-CD1 3.77Å; Y445-F450 AromaticContact CE2-CE1 3.89Å; Y445-F450 HydrophobicContact CE2-CE1 3.89Å; Y445-F450 HydrophobicContact CG-CB 4.39Å; Y445-F450 AromaticContact CG-CD1 3.78Å; Y445-F450 HydrophobicContact CG-CD1 3.78Å; Y445-F450 AromaticContact CZ-CD1 3.82Å; Y445-F450 AromaticContact CZ-CE1 3.79Å; Y445-F450 PolarHBondContact O-N 3.02Å; L448-F450 HydrophobicContact CB-CB 4.12Å; L448-F450 PolarHBondContact O-N 3.31Å; F450-R456 HydrophobicContact CZ-CB 4.4Å; F450-R456 HydrophobicContact CZ-CG 4.33Å; F450-F457 AromaticContact CD1-CD2 3.97Å; F450-F457 HydrophobicContact CD1-CD2 3.97Å; F450-F457 HydrophobicContact CD2-CD2 4.22Å; F450-F457 HydrophobicContact CE1-CB 3.91Å; F450-F457 AromaticContact CE1-CD2 3.98Å; F450-F457 HydrophobicContact CE1-CD2 3.98Å; F450-F457 HydrophobicContact CE1-CG 4.45Å; F450-F457 HydrophobicContact CE2-CB 4.49Å; F450-F457 HydrophobicContact CE2-CD2 4.23Å; F450-F457 HydrophobicContact CG-CD2 4.09Å; F450-F457 HydrophobicContact CZ-CB 3.79Å; F450-F457 HydrophobicContact CZ-CD2 4.11Å; F450-F457 HydrophobicContact CZ-CG 4.47Å
451	R	93.4	Very high	95.8	Very high	223 Å²	223	58.4 Å²	58.4	84%	0.842	31%	0.313	S	S	*	.			trans	-138	116.5	174.5	-62.2	-174.9	-177	-82	1.5	109.4
452	G	93.3	Very high	95.6	Very high	41 Å²	41	62.2 Å²	62.2	42%	0.423	34%	0.34	S	S	.	.	S	Bend	trans	158	-178	179.9	0	0	0	0	0	112.5
453	T	96	Very high	95.5	Very high	68 Å²	68	66.5 Å²	66.5	42%	0.417	37%	0.372	S	S	.	.			trans	-68.7	155.9	175.8	54.1	0	0	0	0	111.7	G455 R456 F457 E494	T453-G455 VanDerWaalsContact C-N 3.27Å; T453-R456 PolarHBondContact O-N 2.88Å; T453-R456 VanDerWaalsContact OG1-CB 3.25Å; T453-R456 WeakPolarHBondContact OG1-CB 3Å; T453-R456 PolarHBondContact OG1-N 2.85Å; T453-R456 VanDerWaalsContact OG1-N 3.12Å; T453-F457 PolarHBondContact O-N 2.97Å; T453-E494 WeakPolarHBondContact CB-OE1 3.4Å; T453-E494 WeakPolarHBondContact CB-OE2 3.33Å; T453-E494 WeakPolarHBondContact CG2-OE1 3.48Å
454	F	97.3	Very high	95.4	Very high	1 Å²	1	64.1 Å²	64.1	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-65	-33.4	170.2	-175.2	-123	0	0	0	111.3	L441 Y445 R456 F457 R458 F465 F469 E494 V497	L441-F454 HydrophobicContact CD1-CD2 4.12Å; L441-F454 HydrophobicContact CD1-CE2 4.29Å; L441-F454 HydrophobicContact CD2-CD2 4.3Å; L441-F454 HydrophobicContact CD2-CE2 4.07Å; Y445-F454 VanDerWaalsContact OH-CA 3.32Å; Y445-F454 WeakPolarHBondContact OH-CA 2.99Å; F454-R456 PolarHBondContact O-N 3.15Å; F454-F457 HydrophobicContact CD2-CB 4.39Å; F454-F457 HydrophobicContact CD2-CD1 4.44Å; F454-F457 HydrophobicContact CE2-CD1 4.39Å; F454-F457 WeakPolarHBondContact O-CB 3.33Å; F454-F457 PolarHBondContact O-N 3.32Å; F454-R458 HydrophobicContact CD1-CG 4.48Å; F454-R458 HydrophobicContact CE1-CG 4.25Å; F454-R458 HydrophobicContact CE2-CG 4.26Å; F454-R458 HydrophobicContact CZ-CG 4.12Å; F454-R458 WeakPolarHBondContact O-CG 3.37Å; F454-R458 PolarHBondContact O-N 2.83Å; F454-F465 HydrophobicContact CE2-CE1 4.47Å; F454-F465 HydrophobicContact CE2-CZ 4.17Å; F454-F465 HydrophobicContact CZ-CE1 4.13Å; F454-F465 HydrophobicContact CZ-CZ 4.29Å; F454-F469 AromaticContact CE1-CE1 3.97Å; F454-F469 HydrophobicContact CE1-CE1 3.97Å; F454-F469 HydrophobicContact CE1-CZ 4.23Å; F454-F469 AromaticContact CZ-CE1 3.81Å; F454-F469 HydrophobicContact CZ-CE1 3.81Å; F454-F469 AromaticContact CZ-CZ 3.77Å; F454-F469 HydrophobicContact CZ-CZ 3.77Å; F454-E494 WeakPolarHBondContact CA-OE2 3.32Å; F454-E494 HydrophobicContact CB-CB 4.05Å; F454-E494 HydrophobicContact CB-CG 3.83Å; F454-E494 WeakPolarHBondContact CB-OE2 3.47Å; F454-E494 VanDerWaalsContact N-CD 3.28Å; F454-E494 PolarHBondContact N-OE2 2.69Å; F454-V497 HydrophobicContact CB-CG2 4.11Å; F454-V497 HydrophobicContact CD1-CG2 3.33Å; F454-V497 HydrophobicContact CE1-CG2 3.81Å; F454-V497 HydrophobicContact CG-CG2 3.8Å
455	G	96.9	Very high	95.4	Very high	26 Å²	26	65.2 Å²	65.2	27%	0.268	37%	0.366	S	S	.	.	H	α-helix	trans	-53.8	-47.7	166.7	0	0	0	0	0	112.9	T453 R458 Q459 E494	T453-G455 VanDerWaalsContact C-N 3.27Å; G455-R458 PolarHBondContact O-N 2.93Å; G455-Q459 VanDerWaalsContact O-CG 3.3Å; G455-Q459 WeakPolarHBondContact O-CG 3.42Å; G455-Q459 PolarHBondContact O-N 3.3Å; G455-E494 PolarHBondContact N-OE2 2.69Å
456	R	96.9	Very high	95.3	Very high	145 Å²	145	65.3 Å²	65.3	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-35.9	175.9	-175.9	177.9	-178.6	178.3	2.6	112.4	F450 T453 F454 Q459 T460	F450-R456 HydrophobicContact CZ-CB 4.4Å; F450-R456 HydrophobicContact CZ-CG 4.33Å; T453-R456 PolarHBondContact O-N 2.88Å; T453-R456 VanDerWaalsContact OG1-CB 3.25Å; T453-R456 WeakPolarHBondContact OG1-CB 3Å; T453-R456 PolarHBondContact OG1-N 2.85Å; T453-R456 VanDerWaalsContact OG1-N 3.12Å; F454-R456 PolarHBondContact O-N 3.15Å; R456-Q459 PolarHBondContact O-N 2.99Å; R456-T460 WeakPolarHBondContact O-CB 3.24Å; R456-T460 PolarHBondContact O-N 3.5Å; R456-T460 PolarHBondContact O-OG1 2.97Å
457	F	97.1	Very high	95.2	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-61	-48.6	174.6	-173.6	-86.3	0	0	0	111	L444 Y445 L448 F450 T453 F454 Q459 T460 Y461 F465 H665	L444-F457 HydrophobicContact CD2-CE1 4.37Å; L444-F457 HydrophobicContact CD2-CE2 4.31Å; L444-F457 HydrophobicContact CD2-CZ 3.78Å; L444-F457 HydrophobicContact CG-CE2 4.46Å; L444-F457 HydrophobicContact CG-CZ 4.3Å; Y445-F457 HydrophobicContact CD1-CD2 4.02Å; Y445-F457 HydrophobicContact CD1-CE2 4.14Å; Y445-F457 HydrophobicContact CE1-CB 4.23Å; Y445-F457 AromaticContact CE1-CD2 3.38Å; Y445-F457 HydrophobicContact CE1-CD2 3.38Å; Y445-F457 AromaticContact CE1-CE2 3.83Å; Y445-F457 HydrophobicContact CE1-CE2 3.83Å; Y445-F457 AromaticContact CE1-CG 3.81Å; Y445-F457 HydrophobicContact CE1-CG 3.81Å; L448-F457 HydrophobicContact CD1-CE2 3.73Å; L448-F457 HydrophobicContact CD1-CZ 4.18Å; F450-F457 AromaticContact CD1-CD2 3.97Å; F450-F457 HydrophobicContact CD1-CD2 3.97Å; F450-F457 HydrophobicContact CD2-CD2 4.22Å; F450-F457 HydrophobicContact CE1-CB 3.91Å; F450-F457 AromaticContact CE1-CD2 3.98Å; F450-F457 HydrophobicContact CE1-CD2 3.98Å; F450-F457 HydrophobicContact CE1-CG 4.45Å; F450-F457 HydrophobicContact CE2-CB 4.49Å; F450-F457 HydrophobicContact CE2-CD2 4.23Å; F450-F457 HydrophobicContact CG-CD2 4.09Å; F450-F457 HydrophobicContact CZ-CB 3.79Å; F450-F457 HydrophobicContact CZ-CD2 4.11Å; F450-F457 HydrophobicContact CZ-CG 4.47Å; T453-F457 PolarHBondContact O-N 2.97Å; F454-F457 HydrophobicContact CD2-CB 4.39Å; F454-F457 HydrophobicContact CD2-CD1 4.44Å; F454-F457 HydrophobicContact CE2-CD1 4.39Å; F454-F457 WeakPolarHBondContact O-CB 3.33Å; F454-F457 PolarHBondContact O-N 3.32Å; F457-Q459 VanDerWaalsContact C-N 3.34Å; F457-Q459 PolarHBondContact O-N 2.92Å; F457-T460 WeakPolarHBondContact O-CB 3.33Å; F457-T460 PolarHBondContact O-N 2.91Å; F457-T460 VanDerWaalsContact O-N 3.14Å; F457-Y461 AromaticContact CD1-CD2 3.99Å; F457-Y461 HydrophobicContact CD1-CD2 3.99Å; F457-Y461 HydrophobicContact CD2-CD2 4.02Å; F457-Y461 AromaticContact CD2-CE2 3.94Å; F457-Y461 HydrophobicContact CD2-CE2 3.94Å; F457-Y461 AromaticContact CE1-CD2 3.6Å; F457-Y461 HydrophobicContact CE1-CD2 3.6Å; F457-Y461 HydrophobicContact CE1-CE2 4.2Å; F457-Y461 HydrophobicContact CE1-CG 4.38Å; F457-Y461 AromaticContact CE2-CD2 3.67Å; F457-Y461 HydrophobicContact CE2-CD2 3.67Å; F457-Y461 AromaticContact CE2-CE2 3.4Å; F457-Y461 HydrophobicContact CE2-CE2 3.4Å; F457-Y461 VanDerWaalsContact CE2-CE2 3.4Å; F457-Y461 HydrophobicContact CG-CD2 4.17Å; F457-Y461 AromaticContact CZ-CD2 3.43Å; F457-Y461 HydrophobicContact CZ-CD2 3.43Å; F457-Y461 VanDerWaalsContact CZ-CD2 3.43Å; F457-Y461 AromaticContact CZ-CE2 3.54Å; F457-Y461 HydrophobicContact CZ-CE2 3.54Å; F457-Y461 HydrophobicContact CZ-CG 4.38Å; F457-Y461 WeakPolarHBondContact O-CD2 3.49Å; F457-Y461 PolarHBondContact O-N 3.32Å; F457-F465 AromaticContact CD1-CE2 3.89Å; F457-F465 HydrophobicContact CD1-CE2 3.89Å; F457-F465 AromaticContact CD1-CZ 4Å; F457-F465 HydrophobicContact CD1-CZ 4Å; F457-F465 AromaticContact CE1-CE2 3.86Å; F457-F465 HydrophobicContact CE1-CE2 3.86Å; F457-F465 HydrophobicContact CE1-CZ 4.02Å; F457-H665 HydrophobicContact CE1-CB 3.66Å; F457-H665 AromaticContact CE1-CG 3.86Å; F457-H665 HydrophobicContact CZ-CB 3.8Å
458	R	96.9	Very high	95.2	Very high	76 Å²	76	65.9 Å²	65.9	29%	0.287	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-39.2	175.9	-72.2	175.1	67.6	-159.4	6.8	113	F454 G455 Y461 S462 F465 M496	F454-R458 HydrophobicContact CD1-CG 4.48Å; F454-R458 HydrophobicContact CE1-CG 4.25Å; F454-R458 HydrophobicContact CE2-CG 4.26Å; F454-R458 HydrophobicContact CZ-CG 4.12Å; F454-R458 WeakPolarHBondContact O-CG 3.37Å; F454-R458 PolarHBondContact O-N 2.83Å; G455-R458 PolarHBondContact O-N 2.93Å; R458-Y461 CarbonylContact O-C 3.59Å; R458-S462 WeakPolarHBondContact O-CA 3.46Å; R458-S462 WeakPolarHBondContact O-CB 3.47Å; R458-S462 PolarHBondContact O-N 2.9Å; R458-F465 HydrophobicContact CB-CD2 4.37Å; R458-F465 HydrophobicContact CB-CE2 4.39Å; R458-F465 HydrophobicContact CG-CD1 3.99Å; R458-F465 HydrophobicContact CG-CD2 4.18Å; R458-F465 HydrophobicContact CG-CE1 3.71Å; R458-F465 HydrophobicContact CG-CE2 3.92Å; R458-F465 HydrophobicContact CG-CG 4.23Å; R458-F465 HydrophobicContact CG-CZ 3.68Å; R458-M496 PolarHBondContact NH1-SD 2.99Å
459	Q	96.1	Very high	95.3	Very high	140 Å²	140	63.7 Å²	63.7	65%	0.654	35%	0.354	S	S	*	.	H	α-helix	trans	-63.6	-43.6	173.4	-70.6	164.1	3.8	0	0	111.9	G455 R456 F457 Y461 S462	G455-Q459 VanDerWaalsContact O-CG 3.3Å; G455-Q459 WeakPolarHBondContact O-CG 3.42Å; G455-Q459 PolarHBondContact O-N 3.3Å; R456-Q459 PolarHBondContact O-N 2.99Å; F457-Q459 VanDerWaalsContact C-N 3.34Å; F457-Q459 PolarHBondContact O-N 2.92Å; Q459-Y461 VanDerWaalsContact C-N 3.34Å; Q459-Y461 PolarHBondContact O-N 2.96Å; Q459-S462 VanDerWaalsContact O-CB 3.3Å; Q459-S462 WeakPolarHBondContact O-CB 3.3Å; Q459-S462 PolarHBondContact O-N 3.12Å; Q459-S462 PolarHBondContact O-OG 3.1Å
460	T	95.6	Very high	95.4	Very high	81 Å²	81	64.4 Å²	64.4	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-37.9	-179.5	-53.9	0	0	0	0	112	R456 F457	R456-T460 WeakPolarHBondContact O-CB 3.24Å; R456-T460 PolarHBondContact O-N 3.5Å; R456-T460 PolarHBondContact O-OG1 2.97Å; F457-T460 WeakPolarHBondContact O-CB 3.33Å; F457-T460 PolarHBondContact O-N 2.91Å; F457-T460 VanDerWaalsContact O-N 3.14Å
461	Y	94.8	Very high	95.6	Very high	39 Å²	39	62.7 Å²	62.7	15%	0.153	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	30.8	178.7	-64.5	-74.2	0	0	0	112.7	L448 F457 R458 Q459 S463 S464 F465 V660 C661	L448-Y461 HydrophobicContact CD1-CE2 4.37Å; F457-Y461 AromaticContact CD1-CD2 3.99Å; F457-Y461 HydrophobicContact CD1-CD2 3.99Å; F457-Y461 HydrophobicContact CD2-CD2 4.02Å; F457-Y461 AromaticContact CD2-CE2 3.94Å; F457-Y461 HydrophobicContact CD2-CE2 3.94Å; F457-Y461 AromaticContact CE1-CD2 3.6Å; F457-Y461 HydrophobicContact CE1-CD2 3.6Å; F457-Y461 HydrophobicContact CE1-CE2 4.2Å; F457-Y461 HydrophobicContact CE1-CG 4.38Å; F457-Y461 AromaticContact CE2-CD2 3.67Å; F457-Y461 HydrophobicContact CE2-CD2 3.67Å; F457-Y461 AromaticContact CE2-CE2 3.4Å; F457-Y461 HydrophobicContact CE2-CE2 3.4Å; F457-Y461 VanDerWaalsContact CE2-CE2 3.4Å; F457-Y461 HydrophobicContact CG-CD2 4.17Å; F457-Y461 AromaticContact CZ-CD2 3.43Å; F457-Y461 HydrophobicContact CZ-CD2 3.43Å; F457-Y461 VanDerWaalsContact CZ-CD2 3.43Å; F457-Y461 AromaticContact CZ-CE2 3.54Å; F457-Y461 HydrophobicContact CZ-CE2 3.54Å; F457-Y461 HydrophobicContact CZ-CG 4.38Å; F457-Y461 WeakPolarHBondContact O-CD2 3.49Å; F457-Y461 PolarHBondContact O-N 3.32Å; R458-Y461 CarbonylContact O-C 3.59Å; Q459-Y461 VanDerWaalsContact C-N 3.34Å; Q459-Y461 PolarHBondContact O-N 2.96Å; Y461-S463 PolarHBondContact O-N 2.88Å; Y461-S463 VanDerWaalsContact O-N 3.11Å; Y461-S464 PolarHBondContact O-N 2.83Å; Y461-S464 PolarHBondContact O-OG 3.17Å; Y461-F465 WeakPolarHBondContact O-CD2 3.49Å; Y461-F465 PolarHBondContact O-N 2.87Å; Y461-V660 WeakPolarHBondContact CE1-O 3.32Å; Y461-C661 HydrophobicContact CD1-CB 4.02Å; Y461-C661 HydrophobicContact CE1-CB 3.7Å; Y461-C661 VanDerWaalsContact CE1-SG 3.56Å
462	S	94.9	Very high	95.8	Very high	80 Å²	80	52 Å²	52	56%	0.559	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.7	-171.4	43.1	0	0	0	0	114.5	R458 Q459 S464	R458-S462 WeakPolarHBondContact O-CA 3.46Å; R458-S462 WeakPolarHBondContact O-CB 3.47Å; R458-S462 PolarHBondContact O-N 2.9Å; Q459-S462 VanDerWaalsContact O-CB 3.3Å; Q459-S462 WeakPolarHBondContact O-CB 3.3Å; Q459-S462 PolarHBondContact O-N 3.12Å; Q459-S462 PolarHBondContact O-OG 3.1Å; S462-S464 VanDerWaalsContact C-N 3.29Å; S462-S464 PolarHBondContact O-N 2.82Å
463	S	92.9	Very high	96.1	Very high	112 Å²	112	50.2 Å²	50.2	78%	0.783	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.6	173.8	53.6	0	0	0	0	114.8	Y461	Y461-S463 PolarHBondContact O-N 2.88Å; Y461-S463 VanDerWaalsContact O-N 3.11Å
464	S	93.9	Very high	96.2	Very high	13 Å²	13	47 Å²	47	9%	0.091	25%	0.254	C	S	.	.	S	Bend	trans	-124.5	7.8	178.6	46.6	0	0	0	0	114.4	Y461 S462 H665 G667	Y461-S464 PolarHBondContact O-N 2.83Å; Y461-S464 PolarHBondContact O-OG 3.17Å; S462-S464 VanDerWaalsContact C-N 3.29Å; S462-S464 PolarHBondContact O-N 2.82Å; S464-H665 PolarHBondContact O-CE1 2.89Å; S464-H665 VanDerWaalsContact O-CE1 3.26Å; S464-H665 PolarHBondContact OG-CE1 3.11Å; S464-H665 PolarHBondContact OG-NE2 2.91Å; S464-G667 CarbonylContact O-C 3.46Å
465	F	95.6	Very high	96.2	Very high	23 Å²	23	47 Å²	47	10%	0.101	25%	0.254	C	S	.	.	S	Bend	trans	-99.5	113.5	162	-83	-91.1	0	0	0	108.9	F454 F457 R458 Y461 F469 H665 G667	F454-F465 HydrophobicContact CE2-CE1 4.47Å; F454-F465 HydrophobicContact CE2-CZ 4.17Å; F454-F465 HydrophobicContact CZ-CE1 4.13Å; F454-F465 HydrophobicContact CZ-CZ 4.29Å; F457-F465 AromaticContact CD1-CE2 3.89Å; F457-F465 HydrophobicContact CD1-CE2 3.89Å; F457-F465 AromaticContact CD1-CZ 4Å; F457-F465 HydrophobicContact CD1-CZ 4Å; F457-F465 AromaticContact CE1-CE2 3.86Å; F457-F465 HydrophobicContact CE1-CE2 3.86Å; F457-F465 HydrophobicContact CE1-CZ 4.02Å; R458-F465 HydrophobicContact CB-CD2 4.37Å; R458-F465 HydrophobicContact CB-CE2 4.39Å; R458-F465 HydrophobicContact CG-CD1 3.99Å; R458-F465 HydrophobicContact CG-CD2 4.18Å; R458-F465 HydrophobicContact CG-CE1 3.71Å; R458-F465 HydrophobicContact CG-CE2 3.92Å; R458-F465 HydrophobicContact CG-CG 4.23Å; R458-F465 HydrophobicContact CG-CZ 3.68Å; Y461-F465 WeakPolarHBondContact O-CD2 3.49Å; Y461-F465 PolarHBondContact O-N 2.87Å; F465-F469 HydrophobicContact CD1-CB 4.29Å; F465-F469 AromaticContact CD1-CD1 3.55Å; F465-F469 HydrophobicContact CD1-CD1 3.55Å; F465-F469 HydrophobicContact CD1-CD2 4.28Å; F465-F469 AromaticContact CD1-CE1 3.91Å; F465-F469 HydrophobicContact CD1-CE1 3.91Å; F465-F469 AromaticContact CD1-CG 3.75Å; F465-F469 HydrophobicContact CD1-CG 3.75Å; F465-F469 HydrophobicContact CD1-CZ 4.43Å; F465-F469 AromaticContact CE1-CD1 3.79Å; F465-F469 HydrophobicContact CE1-CD1 3.79Å; F465-F469 HydrophobicContact CE1-CD2 4.33Å; F465-F469 AromaticContact CE1-CE1 3.64Å; F465-F469 HydrophobicContact CE1-CE1 3.64Å; F465-F469 HydrophobicContact CE1-CE2 4.2Å; F465-F469 HydrophobicContact CE1-CG 4.14Å; F465-F469 AromaticContact CE1-CZ 3.86Å; F465-F469 HydrophobicContact CE1-CZ 3.86Å; F465-H665 AromaticContact CD2-CE1 3.55Å; F465-H665 AromaticContact CE2-CE1 3.39Å; F465-H665 WeakPolarHBondContact CE2-CE1 3.48Å; F465-H665 AromaticContact CE2-ND1 3.44Å; F465-H665 WeakPolarHBondContact CE2-ND1 3.49Å; F465-H665 AromaticContact CE2-NE2 3.99Å; F465-H665 AromaticContact CZ-CE1 3.95Å; F465-H665 AromaticContact CZ-ND1 3.56Å; F465-G667 VanDerWaalsContact CE1-CA 3.46Å
466	S	93.3	Very high	96.2	Very high	25 Å²	25	46 Å²	46	18%	0.175	24%	0.243	C	C	.	.			trans	-77.8	159.5	177.8	81.7	0	0	0	0	112	E468 F469	S466-E468 WeakPolarHBondContact CB-OE2 3.48Å; S466-E468 PolarHBondContact O-N 3.49Å; S466-E468 PolarHBondContact OG-OE2 3.18Å; S466-F469 WeakPolarHBondContact O-CB 3.45Å; S466-F469 PolarHBondContact O-N 3.27Å
467	P	93.6	Very high	96.2	Very high	92 Å²	92	39.5 Å²	39.5	60%	0.597	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.6	178.5	-23.9	35.1	0	0	0	113.8	F469	P467-F469 PolarHBondContact O-N 2.68Å
468	E	95.9	Very high	96	Very high	54 Å²	54	41.1 Å²	41.1	25%	0.252	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.1	179	-50.5	68.6	-139.8	0	0	112.2	G433 F434 S466 Q470 L688	G433-E468 CarbonylContact C-O 3.42Å; G433-E468 VanDerWaalsContact C-O 3.26Å; G433-E468 WeakPolarHBondContact CA-O 3.38Å; F434-E468 HydrophobicContact CD1-CB 3.99Å; F434-E468 WeakPolarHBondContact CD1-O 3.3Å; F434-E468 HydrophobicContact CE1-CB 4.24Å; F434-E468 PolarHBondContact N-O 2.87Å; S466-E468 WeakPolarHBondContact CB-OE2 3.48Å; S466-E468 PolarHBondContact O-N 3.49Å; S466-E468 PolarHBondContact OG-OE2 3.18Å; E468-Q470 PolarHBondContact O-N 3.44Å; E468-L688 HydrophobicContact CG-CD2 4.22Å
469	F	97.4	Very high	95.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	107.6	176.8	179.3	-94.9	0	0	0	111.6	F434 D436 F454 F465 S466 P467 G471 C472 M496 P666	F434-F469 HydrophobicContact CE1-CB 4.21Å; F434-F469 AromaticContact CE2-CD2 3.73Å; F434-F469 HydrophobicContact CE2-CD2 3.73Å; F434-F469 HydrophobicContact CE2-CE2 4.43Å; F434-F469 HydrophobicContact CZ-CB 4.06Å; F434-F469 AromaticContact CZ-CD2 3.78Å; F434-F469 HydrophobicContact CZ-CD2 3.78Å; F434-F469 HydrophobicContact CZ-CG 4.44Å; D436-F469 HydrophobicContact CB-CE2 4.42Å; F454-F469 AromaticContact CE1-CE1 3.97Å; F454-F469 HydrophobicContact CE1-CE1 3.97Å; F454-F469 HydrophobicContact CE1-CZ 4.23Å; F454-F469 AromaticContact CZ-CE1 3.81Å; F454-F469 HydrophobicContact CZ-CE1 3.81Å; F454-F469 AromaticContact CZ-CZ 3.77Å; F454-F469 HydrophobicContact CZ-CZ 3.77Å; F465-F469 HydrophobicContact CD1-CB 4.29Å; F465-F469 AromaticContact CD1-CD1 3.55Å; F465-F469 HydrophobicContact CD1-CD1 3.55Å; F465-F469 HydrophobicContact CD1-CD2 4.28Å; F465-F469 AromaticContact CD1-CE1 3.91Å; F465-F469 HydrophobicContact CD1-CE1 3.91Å; F465-F469 AromaticContact CD1-CG 3.75Å; F465-F469 HydrophobicContact CD1-CG 3.75Å; F465-F469 HydrophobicContact CD1-CZ 4.43Å; F465-F469 AromaticContact CE1-CD1 3.79Å; F465-F469 HydrophobicContact CE1-CD1 3.79Å; F465-F469 HydrophobicContact CE1-CD2 4.33Å; F465-F469 AromaticContact CE1-CE1 3.64Å; F465-F469 HydrophobicContact CE1-CE1 3.64Å; F465-F469 HydrophobicContact CE1-CE2 4.2Å; F465-F469 HydrophobicContact CE1-CG 4.14Å; F465-F469 AromaticContact CE1-CZ 3.86Å; F465-F469 HydrophobicContact CE1-CZ 3.86Å; S466-F469 WeakPolarHBondContact O-CB 3.45Å; S466-F469 PolarHBondContact O-N 3.27Å; P467-F469 PolarHBondContact O-N 2.68Å; F469-G471 WeakPolarHBondContact CE2-O 3.34Å; F469-G471 VanDerWaalsContact CZ-CA 3.45Å; F469-G471 VanDerWaalsContact CZ-O 3.25Å; F469-G471 WeakPolarHBondContact CZ-O 3.43Å; F469-C472 HydrophobicContact CE2-CB 4.42Å; F469-C472 HydrophobicContact CZ-CB 4.13Å; F469-M496 HydrophobicContact CD1-CE 4.36Å; F469-M496 VanDerWaalsContact O-CE 3.24Å; F469-M496 WeakPolarHBondContact O-CE 3.33Å; F469-P666 HydrophobicContact CE2-CB 3.49Å; F469-P666 VanDerWaalsContact CE2-CB 3.49Å; F469-P666 HydrophobicContact CZ-CB 3.74Å
470	Q	97.1	Very high	94.9	Very high	75 Å²	75	35.6 Å²	35.6	35%	0.35	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-3.2	-179	-63.5	-61.4	-37.8	0	0	114.2	F434 I435 E468 M496	F434-Q470 PolarHBondContact O-N 2.71Å; I435-Q470 HydrophobicContact CG1-CB 4.25Å; E468-Q470 PolarHBondContact O-N 3.44Å; Q470-M496 VanDerWaalsContact CA-CE 3.47Å; Q470-M496 VanDerWaalsContact O-CE 3.29Å; Q470-M496 WeakPolarHBondContact O-CE 3.21Å
471	G	97.8	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-168	168.7	0	0	0	0	0	114.4	I435 D436 F469 M496	I435-G471 CarbonylContact C-O 3.55Å; I435-G471 VanDerWaalsContact CA-O 3.32Å; I435-G471 WeakPolarHBondContact CA-O 3.43Å; D436-G471 PolarHBondContact N-O 2.88Å; F469-G471 WeakPolarHBondContact CE2-O 3.34Å; F469-G471 VanDerWaalsContact CZ-CA 3.45Å; F469-G471 VanDerWaalsContact CZ-O 3.25Å; F469-G471 WeakPolarHBondContact CZ-O 3.43Å; G471-M496 CarbonylContact C-O 3.26Å; G471-M496 WeakPolarHBondContact CA-O 3.36Å
472	C	98.7	Very high	93.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.8	-179.2	60.8	0	0	0	0	113.3	D436 F469 M496 V497 W498 P666	D436-C472 HydrophobicContact CB-CB 3.93Å; D436-C472 CarbonylContact O-C 2.82Å; D436-C472 VanDerWaalsContact O-CA 3.26Å; D436-C472 WeakPolarHBondContact O-CA 3.48Å; F469-C472 HydrophobicContact CE2-CB 4.42Å; F469-C472 HydrophobicContact CZ-CB 4.13Å; C472-M496 PolarHBondContact N-O 2.7Å; C472-V497 WeakPolarHBondContact O-CA 3.42Å; C472-W498 PolarHBondContact O-N 3.24Å; C472-P666 HydrophobicContact CB-CB 3.73Å; C472-P666 HydrophobicContact CB-CG 3.97Å
473	I	98.8	Very high	92.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109	163.2	-52.5	175.8	0	0	0	106.4	I435 D436 C439 W498 A500 V529 Y699 I701	I435-I473 HydrophobicContact CG2-CG1 4.43Å; D436-I473 PolarHBondContact O-N 3.43Å; C439-I473 PolarHBondContact N-O 3.17Å; C439-I473 VanDerWaalsContact N-O 3.14Å; I473-W498 CarbonylContact C-O 3.27Å; I473-W498 WeakPolarHBondContact CA-O 3.34Å; I473-W498 HydrophobicContact CG1-CB 4.32Å; I473-A500 HydrophobicContact CG2-CB 4.04Å; I473-V529 HydrophobicContact CD1-CG2 4Å; I473-V529 HydrophobicContact CG1-CG2 4.19Å; I473-V529 HydrophobicContact CG2-CG2 3.94Å; I473-Y699 HydrophobicContact CD1-CD1 3.84Å; I473-Y699 HydrophobicContact CD1-CD2 3.4Å; I473-Y699 HydrophobicContact CD1-CE1 3.89Å; I473-Y699 HydrophobicContact CD1-CE2 3.42Å; I473-Y699 VanDerWaalsContact CD1-CE2 3.42Å; I473-Y699 HydrophobicContact CD1-CG 3.58Å; I473-I701 HydrophobicContact CD1-CD1 4.01Å; I473-I701 HydrophobicContact CG1-CD1 3.96Å
474	T	98.3	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.7	171	-175.7	0	0	0	0	109.9	C439 L441 F476 L492 V497 W498 G499 A500	C439-T474 CarbonylContact O-C 3.39Å; C439-T474 VanDerWaalsContact O-CA 3.25Å; C439-T474 WeakPolarHBondContact O-CA 3.3Å; L441-T474 WeakPolarHBondContact CB-OG1 3.46Å; L441-T474 HydrophobicContact CD1-CG2 4.18Å; L441-T474 PolarHBondContact N-OG1 2.82Å; T474-F476 HydrophobicContact CG2-CE2 3.62Å; T474-F476 HydrophobicContact CG2-CZ 3.62Å; T474-L492 HydrophobicContact CG2-CD2 4.37Å; T474-V497 HydrophobicContact CG2-CG1 3.66Å; T474-W498 WeakPolarHBondContact CG2-O 3.41Å; T474-W498 PolarHBondContact N-O 2.77Å; T474-G499 CarbonylContact O-C 3.13Å; T474-G499 VanDerWaalsContact O-CA 3.32Å; T474-G499 WeakPolarHBondContact O-CA 3.38Å; T474-A500 PolarHBondContact O-N 3.44Å
475	D	97.9	Very high	91.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.7	-176	175	70	0	0	0	111.8	C439 H440 C477 A500 E533	C439-D475 PolarHBondContact O-N 3.4Å; H440-D475 IonicContact CE1-OD2 3.11Å; H440-D475 PolarHBondContact CE1-OD2 3.04Å; H440-D475 PolarHBondContact ND1-O 3.04Å; H440-D475 VanDerWaalsContact ND1-O 3.09Å; H440-D475 IonicContact ND1-OD2 3.39Å; H440-D475 PolarHBondContact ND1-OD2 3.42Å; D475-C477 WeakPolarHBondContact OD2-CB 3.16Å; D475-C477 PolarHBondContact OD2-N 3.05Å; D475-C477 VanDerWaalsContact OD2-N 3.1Å; D475-C477 PolarHBondContact OD2-SG 3.29Å; D475-C477 VanDerWaalsContact OD2-SG 3.37Å; D475-A500 HydrophobicContact CB-CB 4.19Å; D475-A500 WeakPolarHBondContact OD1-CB 3.29Å; D475-E533 PolarHBondContact OD1-N 3Å
476	F	97.4	Very high	91.2	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.022	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	60.1	-179.6	-59.9	-75.9	0	0	0	111	D442 T474 N478 M482 L487 W488 L491 L492 A500 F501	D442-F476 HydrophobicContact CB-CD1 4.5Å; D442-F476 HydrophobicContact CB-CE1 4.25Å; T474-F476 HydrophobicContact CG2-CE2 3.62Å; T474-F476 HydrophobicContact CG2-CZ 3.62Å; F476-N478 VanDerWaalsContact C-N 3.28Å; F476-N478 PolarHBondContact O-N 2.76Å; F476-M482 VanDerWaalsContact O-SD 3.4Å; F476-L487 HydrophobicContact CE1-CD2 4.22Å; F476-W488 HydrophobicContact CD1-CB 3.96Å; F476-W488 HydrophobicContact CD2-CB 4.13Å; F476-W488 HydrophobicContact CE1-CB 3.62Å; F476-W488 HydrophobicContact CE2-CB 3.8Å; F476-W488 HydrophobicContact CG-CB 4.19Å; F476-W488 HydrophobicContact CZ-CB 3.53Å; F476-L491 HydrophobicContact CE1-CD1 3.77Å; F476-L491 HydrophobicContact CZ-CB 4.15Å; F476-L491 HydrophobicContact CZ-CD1 3.77Å; F476-L492 HydrophobicContact CE2-CD2 4.4Å; F476-A500 PolarHBondContact N-O 3.16Å; F476-F501 HydrophobicContact CB-CD1 3.68Å; F476-F501 HydrophobicContact CB-CE1 3.89Å; F476-F501 AromaticContact CD2-CD1 3.72Å; F476-F501 HydrophobicContact CD2-CD1 3.72Å; F476-F501 AromaticContact CD2-CE1 3.21Å; F476-F501 HydrophobicContact CD2-CE1 3.21Å; F476-F501 HydrophobicContact CD2-CE2 4.42Å; F476-F501 AromaticContact CD2-CZ 3.63Å; F476-F501 HydrophobicContact CD2-CZ 3.63Å; F476-F501 AromaticContact CE2-CE1 3.88Å; F476-F501 HydrophobicContact CE2-CE1 3.88Å; F476-F501 AromaticContact CE2-CZ 3.91Å; F476-F501 HydrophobicContact CE2-CZ 3.91Å; F476-F501 HydrophobicContact CG-CD1 4.06Å; F476-F501 AromaticContact CG-CE1 3.76Å; F476-F501 HydrophobicContact CG-CE1 3.76Å
477	C	95.7	Very high	90.9	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.061	23%	0.229	C	C	.	.			trans	-75.6	0.4	-178.7	67.8	0	0	0	0	116.3	D475 P479 G502 C503 H504 F507 E533	D475-C477 WeakPolarHBondContact OD2-CB 3.16Å; D475-C477 PolarHBondContact OD2-N 3.05Å; D475-C477 VanDerWaalsContact OD2-N 3.1Å; D475-C477 PolarHBondContact OD2-SG 3.29Å; D475-C477 VanDerWaalsContact OD2-SG 3.37Å; C477-P479 WeakPolarHBondContact O-CD 3.44Å; C477-G502 CarbonylContact C-O 3.59Å; C477-C503 WeakPolarHBondContact O-CA 3.46Å; C477-H504 HydrophobicContact CB-CB 3.88Å; C477-H504 PolarHBondContact O-N 2.58Å; C477-F507 VanDerWaalsContact O-CD2 3.3Å; C477-F507 WeakPolarHBondContact O-CD2 3.26Å; C477-E533 HydrophobicContact CB-CB 3.68Å
478	N	94.1	Very high	90.8	Very high	34 Å²	34	37.1 Å²	37.1	18%	0.182	20%	0.201	C	C	.	.			trans	-99.7	101.9	176.2	-175.5	-13	0	0	0	111.2	F476 H480 I481 M482 F507	F476-N478 VanDerWaalsContact C-N 3.28Å; F476-N478 PolarHBondContact O-N 2.76Å; N478-H480 PolarHBondContact O-N 3.18Å; N478-H480 WeakPolarHBondContact OD1-CB 3.31Å; N478-H480 PolarHBondContact OD1-N 3.06Å; N478-H480 VanDerWaalsContact OD1-N 3.12Å; N478-I481 HydrophobicContact CB-CB 4.43Å; N478-I481 HydrophobicContact CB-CD1 3.98Å; N478-I481 HydrophobicContact CB-CG1 4.11Å; N478-I481 WeakPolarHBondContact O-CB 3.41Å; N478-I481 PolarHBondContact O-N 2.87Å; N478-M482 PolarHBondContact O-N 3.12Å; N478-F507 HydrophobicContact CB-CD2 3.94Å; N478-F507 HydrophobicContact CB-CE2 3.55Å; N478-F507 HydrophobicContact CB-CZ 3.93Å
479	P	85.7	Confident	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.3	-172.4	31.8	-38.9	0	0	0	114.3	C477 M482 C503 F507 Q515	C477-P479 WeakPolarHBondContact O-CD 3.44Å; P479-M482 HydrophobicContact CB-SD 4.4Å; P479-C503 HydrophobicContact CG-CB 4.29Å; P479-F507 HydrophobicContact CG-CB 4.24Å; P479-Q515 HydrophobicContact CB-CB 3.78Å; P479-Q515 HydrophobicContact CB-CG 3.7Å; P479-Q515 HydrophobicContact CG-CB 4.42Å; P479-Q515 HydrophobicContact CG-CG 4.12Å
480	H	84.5	Confident	90.6	Very high	100 Å²	100	40.2 Å²	40.2	46%	0.463	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-22	170.5	-59.7	-72.8	0	0	0	112.9	N478	N478-H480 PolarHBondContact O-N 3.18Å; N478-H480 WeakPolarHBondContact OD1-CB 3.31Å; N478-H480 PolarHBondContact OD1-N 3.06Å; N478-H480 VanDerWaalsContact OD1-N 3.12Å
481	I	79.9	Confident	90.6	Very high	42 Å²	42	37.2 Å²	37.2	22%	0.215	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-34.9	173.4	-62.9	-179.9	0	0	0	110.1	D442 N478 A483 K484 L487	D442-I481 WeakPolarHBondContact OD2-CD1 3.13Å; N478-I481 HydrophobicContact CB-CB 4.43Å; N478-I481 HydrophobicContact CB-CD1 3.98Å; N478-I481 HydrophobicContact CB-CG1 4.11Å; N478-I481 WeakPolarHBondContact O-CB 3.41Å; N478-I481 PolarHBondContact O-N 2.87Å; I481-A483 PolarHBondContact O-N 3.23Å; I481-A483 VanDerWaalsContact O-N 3.11Å; I481-K484 WeakPolarHBondContact O-CB 3.27Å; I481-K484 PolarHBondContact O-N 2.93Å; I481-L487 HydrophobicContact CG2-CD1 4.1Å; I481-L487 HydrophobicContact CG2-CD2 3.99Å
482	M	82.3	Confident	90.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.6	-177.4	-59.8	-176.4	66.2	0	0	114.8	F476 N478 P479 K484 W488 F501 N518 I519 A522	F476-M482 VanDerWaalsContact O-SD 3.4Å; N478-M482 PolarHBondContact O-N 3.12Å; P479-M482 HydrophobicContact CB-SD 4.4Å; M482-K484 PolarHBondContact O-N 2.78Å; M482-K484 VanDerWaalsContact O-N 3.16Å; M482-W488 PolarHBondContact O-NE1 2.82Å; M482-F501 HydrophobicContact CE-CB 3.98Å; M482-F501 HydrophobicContact CE-CD1 3.56Å; M482-F501 HydrophobicContact CE-CE1 4.46Å; M482-F501 HydrophobicContact CE-CG 4.18Å; M482-N518 HydrophobicContact CB-CB 4.37Å; M482-I519 VanDerWaalsContact CE-CA 3.45Å; M482-I519 HydrophobicContact CE-CB 3.94Å; M482-I519 HydrophobicContact CE-CG1 3.46Å; M482-I519 VanDerWaalsContact CE-CG1 3.46Å; M482-I519 HydrophobicContact CE-CG2 4.43Å; M482-I519 HydrophobicContact SD-CD1 4.44Å; M482-I519 HydrophobicContact SD-CG1 3.49Å; M482-I519 WeakPolarHBondContact SD-CG1 3.37Å; M482-A522 HydrophobicContact CE-CB 4.14Å
483	A	80.6	Confident	90.4	Very high	62 Å²	62	41.2 Å²	41.2	51%	0.512	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-2	171.1	0	0	0	0	0	114.1	I481	I481-A483 PolarHBondContact O-N 3.23Å; I481-A483 VanDerWaalsContact O-N 3.11Å
484	K	84.1	Confident	90.3	Very high	136 Å²	136	42.9 Å²	42.9	59%	0.591	25%	0.247	S	C	*	.			trans	-112.3	76.3	177.4	-57.8	179.4	-177.4	179.5	0	108.9	I481 M482 A486 L487	I481-K484 WeakPolarHBondContact O-CB 3.27Å; I481-K484 PolarHBondContact O-N 2.93Å; M482-K484 PolarHBondContact O-N 2.78Å; M482-K484 VanDerWaalsContact O-N 3.16Å; K484-A486 VanDerWaalsContact C-N 3.34Å; K484-A486 PolarHBondContact O-N 3.16Å; K484-L487 HydrophobicContact CB-CB 4.37Å; K484-L487 WeakPolarHBondContact O-CB 3.13Å; K484-L487 PolarHBondContact O-N 3.36Å
485	E	81.4	Confident	90.2	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-47	-54.4	-171.6	-53.4	-177.7	158.1	0	0	111.8	L487 W488 E489 M521	E485-L487 PolarHBondContact O-N 3.1Å; E485-W488 HydrophobicContact CB-CZ2 4.18Å; E485-W488 HydrophobicContact CG-CZ2 4.35Å; E485-W488 PolarHBondContact O-N 3.12Å; E485-W488 VanDerWaalsContact O-N 3.11Å; E485-E489 WeakPolarHBondContact O-CB 3.49Å; E485-E489 WeakPolarHBondContact O-CG 3.19Å; E485-E489 PolarHBondContact O-N 2.89Å; E485-M521 HydrophobicContact CG-CE 3.9Å; E485-M521 WeakPolarHBondContact OE1-CE 3.15Å
486	A	79.9	Confident	90.1	Very high	85 Å²	85	51.2 Å²	51.2	70%	0.702	29%	0.29	S	S	*	.	H	α-helix	trans	-54.4	-17.5	177.7	0	0	0	0	0	116.5	K484 G490	K484-A486 VanDerWaalsContact C-N 3.34Å; K484-A486 PolarHBondContact O-N 3.16Å; A486-G490 PolarHBondContact O-N 2.99Å
487	L	87.3	Confident	90.1	Very high	69 Å²	69	51 Å²	51	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-77.9	-50.8	175.3	-173.7	154.5	0	0	0	111.5	D442 F476 I481 K484 E485 L491	D442-L487 HydrophobicContact CB-CD2 3.85Å; F476-L487 HydrophobicContact CE1-CD2 4.22Å; I481-L487 HydrophobicContact CG2-CD1 4.1Å; I481-L487 HydrophobicContact CG2-CD2 3.99Å; K484-L487 HydrophobicContact CB-CB 4.37Å; K484-L487 WeakPolarHBondContact O-CB 3.13Å; K484-L487 PolarHBondContact O-N 3.36Å; E485-L487 PolarHBondContact O-N 3.1Å; L487-L491 HydrophobicContact CD2-CD1 4.32Å; L487-L491 PolarHBondContact O-N 2.86Å
488	W	93	Very high	90.3	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-82.8	-33.6	-179	59	-100.6	0	0	0	111.4	F476 M482 E485 L491 L492 F501 M521 A522 H525	F476-W488 HydrophobicContact CD1-CB 3.96Å; F476-W488 HydrophobicContact CD2-CB 4.13Å; F476-W488 HydrophobicContact CE1-CB 3.62Å; F476-W488 HydrophobicContact CE2-CB 3.8Å; F476-W488 HydrophobicContact CG-CB 4.19Å; F476-W488 HydrophobicContact CZ-CB 3.53Å; M482-W488 PolarHBondContact O-NE1 2.82Å; E485-W488 HydrophobicContact CB-CZ2 4.18Å; E485-W488 HydrophobicContact CG-CZ2 4.35Å; E485-W488 PolarHBondContact O-N 3.12Å; E485-W488 VanDerWaalsContact O-N 3.11Å; W488-L491 PolarHBondContact O-N 3.44Å; W488-L492 WeakPolarHBondContact O-CG 3.02Å; W488-L492 PolarHBondContact O-N 3.24Å; W488-F501 HydrophobicContact CB-CE1 4.03Å; W488-F501 HydrophobicContact CB-CZ 4.37Å; W488-F501 AromaticContact CD2-CE1 3.86Å; W488-F501 HydrophobicContact CD2-CE1 3.86Å; W488-F501 HydrophobicContact CD2-CZ 4.01Å; W488-F501 AromaticContact CE3-CE1 3.98Å; W488-F501 HydrophobicContact CE3-CE1 3.98Å; W488-F501 AromaticContact CE3-CZ 3.62Å; W488-F501 HydrophobicContact CE3-CZ 3.62Å; W488-F501 AromaticContact CG-CE1 3.89Å; W488-F501 HydrophobicContact CG-CE1 3.89Å; W488-F501 HydrophobicContact CG-CZ 4.35Å; W488-F501 HydrophobicContact CZ3-CZ 4.33Å; W488-M521 HydrophobicContact CH2-CE 4.44Å; W488-M521 HydrophobicContact CH2-SD 4.2Å; W488-M521 HydrophobicContact CZ2-CE 3.79Å; W488-M521 HydrophobicContact CZ2-SD 4.13Å; W488-A522 HydrophobicContact CD2-CB 4.19Å; W488-A522 HydrophobicContact CE3-CB 4.24Å; W488-A522 HydrophobicContact CH2-CB 3.72Å; W488-A522 HydrophobicContact CZ2-CB 3.58Å; W488-A522 HydrophobicContact CZ3-CB 4.01Å; W488-H525 HydrophobicContact CZ3-CB 4.25Å
489	E	94.4	Very high	90.5	Very high	85 Å²	85	51.3 Å²	51.3	40%	0.397	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-43.1	170.6	-70.3	-172.2	139.2	0	0	111.7	E485 L491 L492 S493	E485-E489 WeakPolarHBondContact O-CB 3.49Å; E485-E489 WeakPolarHBondContact O-CG 3.19Å; E485-E489 PolarHBondContact O-N 2.89Å; E489-L491 VanDerWaalsContact C-N 3.3Å; E489-L491 PolarHBondContact O-N 3.16Å; E489-L492 CarbonylContact O-C 3.47Å; E489-L492 PolarHBondContact O-N 3.13Å; E489-S493 PolarHBondContact O-N 3.03Å
490	G	94.6	Very high	91.1	Very high	35 Å²	35	51.3 Å²	51.3	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-59.7	-40.2	176	0	0	0	0	0	112.3	A486 S493	A486-G490 PolarHBondContact O-N 2.99Å; G490-S493 PolarHBondContact O-N 3.43Å; G490-S493 PolarHBondContact O-OG 3.26Å
491	L	95.9	Very high	91.7	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-38.4	174.7	-74.8	169.3	0	0	0	112.5	L441 Y445 F476 L487 W488 E489 S493 E494 V497	L441-L491 HydrophobicContact CB-CD1 4.1Å; L441-L491 HydrophobicContact CB-CD2 4.12Å; L441-L491 HydrophobicContact CD1-CD2 4.15Å; Y445-L491 HydrophobicContact CD2-CD2 4.38Å; Y445-L491 HydrophobicContact CE2-CD2 3.75Å; F476-L491 HydrophobicContact CE1-CD1 3.77Å; F476-L491 HydrophobicContact CZ-CB 4.15Å; F476-L491 HydrophobicContact CZ-CD1 3.77Å; L487-L491 HydrophobicContact CD2-CD1 4.32Å; L487-L491 PolarHBondContact O-N 2.86Å; W488-L491 PolarHBondContact O-N 3.44Å; E489-L491 VanDerWaalsContact C-N 3.3Å; E489-L491 PolarHBondContact O-N 3.16Å; L491-S493 VanDerWaalsContact C-N 3.35Å; L491-E494 WeakPolarHBondContact O-CB 3.28Å; L491-E494 PolarHBondContact O-N 3.15Å; L491-V497 WeakPolarHBondContact O-CB 3.42Å; L491-V497 WeakPolarHBondContact O-CG1 3.37Å
492	L	96.9	Very high	92.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-79.9	-12	177.2	-60.6	-165.3	0	0	0	113.9	T474 F476 W488 E489 E494 V497 W498 F501 H525 K527	T474-L492 HydrophobicContact CG2-CD2 4.37Å; F476-L492 HydrophobicContact CE2-CD2 4.4Å; W488-L492 WeakPolarHBondContact O-CG 3.02Å; W488-L492 PolarHBondContact O-N 3.24Å; E489-L492 CarbonylContact O-C 3.47Å; E489-L492 PolarHBondContact O-N 3.13Å; L492-E494 VanDerWaalsContact C-N 3.26Å; L492-V497 HydrophobicContact CD2-CG1 3.99Å; L492-W498 VanDerWaalsContact CD2-C 3.45Å; L492-F501 HydrophobicContact CD1-CE2 3.79Å; L492-F501 HydrophobicContact CD1-CZ 3.72Å; L492-H525 VanDerWaalsContact CB-CE1 3.47Å; L492-H525 WeakPolarHBondContact CB-CE1 3.24Å; L492-H525 WeakPolarHBondContact CD1-ND1 3.48Å; L492-K527 HydrophobicContact CB-CB 4.42Å; L492-K527 HydrophobicContact CB-CD 4.49Å; L492-K527 HydrophobicContact CD1-CB 4.25Å; L492-K527 WeakPolarHBondContact O-CD 3.29Å; L492-K527 WeakPolarHBondContact O-CE 3.46Å; L492-K527 PolarHBondContact O-NZ 3.38Å
493	S	96.3	Very high	93.4	Very high	82 Å²	82	44.6 Å²	44.6	57%	0.573	26%	0.255	S	S	*	.	H	α-helix	trans	-67.8	-29.6	168.7	71.5	0	0	0	0	112.1	E489 G490 L491 K527	E489-S493 PolarHBondContact O-N 3.03Å; G490-S493 PolarHBondContact O-N 3.43Å; G490-S493 PolarHBondContact O-OG 3.26Å; L491-S493 VanDerWaalsContact C-N 3.35Å; S493-K527 PolarHBondContact O-NZ 2.61Å
494	E	97.1	Very high	94.2	Very high	38 Å²	38	43 Å²	43	18%	0.178	24%	0.237	C	C	.	.	S	Bend	trans	-66	144.8	179.8	-63.6	-78.8	130	0	0	112.6	T453 F454 G455 L491 L492 V497 K527	T453-E494 WeakPolarHBondContact CB-OE1 3.4Å; T453-E494 WeakPolarHBondContact CB-OE2 3.33Å; T453-E494 WeakPolarHBondContact CG2-OE1 3.48Å; F454-E494 WeakPolarHBondContact CA-OE2 3.32Å; F454-E494 HydrophobicContact CB-CB 4.05Å; F454-E494 HydrophobicContact CB-CG 3.83Å; F454-E494 WeakPolarHBondContact CB-OE2 3.47Å; F454-E494 VanDerWaalsContact N-CD 3.28Å; F454-E494 PolarHBondContact N-OE2 2.69Å; G455-E494 PolarHBondContact N-OE2 2.69Å; L491-E494 WeakPolarHBondContact O-CB 3.28Å; L491-E494 PolarHBondContact O-N 3.15Å; L492-E494 VanDerWaalsContact C-N 3.26Å; E494-V497 HydrophobicContact CB-CB 4.44Å; E494-V497 HydrophobicContact CB-CG2 3.88Å; E494-K527 PolarHBondContact O-NZ 3.18Å
495	D	94.8	Very high	94.9	Very high	130 Å²	130	36.6 Å²	36.6	70%	0.695	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	150	170.3	-68.2	-42.7	0	0	0	111.7	V497	D495-V497 PolarHBondContact O-N 3.45Å
496	M	96.3	Very high	95.7	Very high	45 Å²	45	34.5 Å²	34.5	22%	0.222	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	18.2	178.4	-48.7	165	72.8	0	0	114.1	R458 F469 Q470 G471 C472	R458-M496 PolarHBondContact NH1-SD 2.99Å; F469-M496 HydrophobicContact CD1-CE 4.36Å; F469-M496 VanDerWaalsContact O-CE 3.24Å; F469-M496 WeakPolarHBondContact O-CE 3.33Å; Q470-M496 VanDerWaalsContact CA-CE 3.47Å; Q470-M496 VanDerWaalsContact O-CE 3.29Å; Q470-M496 WeakPolarHBondContact O-CE 3.21Å; G471-M496 CarbonylContact C-O 3.26Å; G471-M496 WeakPolarHBondContact CA-O 3.36Å; C472-M496 PolarHBondContact N-O 2.7Å
497	V	98.4	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.1	173.6	-170.9	0	0	0	0	110.2	L441 F454 C472 T474 L491 L492 E494 D495 K527	L441-V497 HydrophobicContact CD1-CG1 4Å; L441-V497 HydrophobicContact CD1-CG2 4.36Å; F454-V497 HydrophobicContact CB-CG2 4.11Å; F454-V497 HydrophobicContact CD1-CG2 3.33Å; F454-V497 HydrophobicContact CE1-CG2 3.81Å; F454-V497 HydrophobicContact CG-CG2 3.8Å; C472-V497 WeakPolarHBondContact O-CA 3.42Å; T474-V497 HydrophobicContact CG2-CG1 3.66Å; L491-V497 WeakPolarHBondContact O-CB 3.42Å; L491-V497 WeakPolarHBondContact O-CG1 3.37Å; L492-V497 HydrophobicContact CD2-CG1 3.99Å; E494-V497 HydrophobicContact CB-CB 4.44Å; E494-V497 HydrophobicContact CB-CG2 3.88Å; D495-V497 PolarHBondContact O-N 3.45Å; V497-K527 WeakPolarHBondContact O-CD 3.31Å
498	W	98.8	Very high	97	Very high	50 Å²	50	30 Å²	30	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	164	171.3	-64.6	-93.3	0	0	0	110.4	I435 C472 I473 T474 L492 V529 I701	I435-W498 HydrophobicContact CD1-CH2 4.09Å; I435-W498 HydrophobicContact CD1-CZ3 3.91Å; I435-W498 HydrophobicContact CG1-CZ3 4.48Å; C472-W498 PolarHBondContact O-N 3.24Å; I473-W498 CarbonylContact C-O 3.27Å; I473-W498 WeakPolarHBondContact CA-O 3.34Å; I473-W498 HydrophobicContact CG1-CB 4.32Å; T474-W498 WeakPolarHBondContact CG2-O 3.41Å; T474-W498 PolarHBondContact N-O 2.77Å; L492-W498 VanDerWaalsContact CD2-C 3.45Å; W498-V529 HydrophobicContact CB-CG1 4.08Å; W498-V529 HydrophobicContact CB-CG2 3.95Å; W498-V529 HydrophobicContact CG-CG1 4.12Å; W498-I701 HydrophobicContact CD2-CD1 3.81Å; W498-I701 HydrophobicContact CD2-CG2 4.45Å; W498-I701 HydrophobicContact CE3-CD1 3.93Å; W498-I701 HydrophobicContact CG-CD1 4.08Å; W498-I701 HydrophobicContact CG-CG2 4.38Å; W498-I701 HydrophobicContact CZ2-CB 4.26Å; W498-I701 HydrophobicContact CZ3-CD1 4.4Å
499	G	98	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.6	-173.2	0	0	0	0	0	114.1	T474 K527 A528 V529	T474-G499 CarbonylContact O-C 3.13Å; T474-G499 VanDerWaalsContact O-CA 3.32Å; T474-G499 WeakPolarHBondContact O-CA 3.38Å; G499-K527 PolarHBondContact N-O 3.02Å; G499-A528 CarbonylContact O-C 3.52Å; G499-A528 WeakPolarHBondContact O-CA 3.32Å; G499-V529 PolarHBondContact O-N 3.36Å
500	A	98.4	Very high	97.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.7	155.1	0	0	0	0	0	109.5	I473 T474 D475 F476 A530 G532 V568	I473-A500 HydrophobicContact CG2-CB 4.04Å; T474-A500 PolarHBondContact O-N 3.44Å; D475-A500 HydrophobicContact CB-CB 4.19Å; D475-A500 WeakPolarHBondContact OD1-CB 3.29Å; F476-A500 PolarHBondContact N-O 3.16Å; A500-A530 WeakPolarHBondContact CA-O 3.46Å; A500-A530 HydrophobicContact CB-CB 4.08Å; A500-G532 CarbonylContact C-O 3.53Å; A500-V568 HydrophobicContact CB-CG2 4.25Å
501	F	98.3	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.8	-175.1	-68.8	-75.8	0	0	0	112.7	F476 M482 W488 L492 I519 A522 M523 A528 A530 F531 G532	F476-F501 HydrophobicContact CB-CD1 3.68Å; F476-F501 HydrophobicContact CB-CE1 3.89Å; F476-F501 AromaticContact CD2-CD1 3.72Å; F476-F501 HydrophobicContact CD2-CD1 3.72Å; F476-F501 AromaticContact CD2-CE1 3.21Å; F476-F501 HydrophobicContact CD2-CE1 3.21Å; F476-F501 HydrophobicContact CD2-CE2 4.42Å; F476-F501 AromaticContact CD2-CZ 3.63Å; F476-F501 HydrophobicContact CD2-CZ 3.63Å; F476-F501 AromaticContact CE2-CE1 3.88Å; F476-F501 HydrophobicContact CE2-CE1 3.88Å; F476-F501 AromaticContact CE2-CZ 3.91Å; F476-F501 HydrophobicContact CE2-CZ 3.91Å; F476-F501 HydrophobicContact CG-CD1 4.06Å; F476-F501 AromaticContact CG-CE1 3.76Å; F476-F501 HydrophobicContact CG-CE1 3.76Å; M482-F501 HydrophobicContact CE-CB 3.98Å; M482-F501 HydrophobicContact CE-CD1 3.56Å; M482-F501 HydrophobicContact CE-CE1 4.46Å; M482-F501 HydrophobicContact CE-CG 4.18Å; W488-F501 HydrophobicContact CB-CE1 4.03Å; W488-F501 HydrophobicContact CB-CZ 4.37Å; W488-F501 AromaticContact CD2-CE1 3.86Å; W488-F501 HydrophobicContact CD2-CE1 3.86Å; W488-F501 HydrophobicContact CD2-CZ 4.01Å; W488-F501 AromaticContact CE3-CE1 3.98Å; W488-F501 HydrophobicContact CE3-CE1 3.98Å; W488-F501 AromaticContact CE3-CZ 3.62Å; W488-F501 HydrophobicContact CE3-CZ 3.62Å; W488-F501 AromaticContact CG-CE1 3.89Å; W488-F501 HydrophobicContact CG-CE1 3.89Å; W488-F501 HydrophobicContact CG-CZ 4.35Å; W488-F501 HydrophobicContact CZ3-CZ 4.33Å; L492-F501 HydrophobicContact CD1-CE2 3.79Å; L492-F501 HydrophobicContact CD1-CZ 3.72Å; F501-I519 HydrophobicContact CB-CG2 4.41Å; F501-A522 HydrophobicContact CD1-CB 3.83Å; F501-A522 HydrophobicContact CD2-CB 4.41Å; F501-A522 HydrophobicContact CE1-CB 3.78Å; F501-A522 HydrophobicContact CE2-CB 4.38Å; F501-A522 HydrophobicContact CG-CB 4.13Å; F501-A522 HydrophobicContact CZ-CB 4.06Å; F501-M523 HydrophobicContact CB-CE 4.11Å; F501-M523 HydrophobicContact CB-CG 4.35Å; F501-A528 HydrophobicContact CD2-CB 3.71Å; F501-A528 HydrophobicContact CE2-CB 3.6Å; F501-A530 PolarHBondContact N-O 2.9Å; F501-A530 VanDerWaalsContact N-O 3.14Å; F501-F531 VanDerWaalsContact O-CD1 3.29Å; F501-F531 WeakPolarHBondContact O-CD1 3.26Å; F501-G532 CarbonylContact C-O 3.44Å; F501-G532 VanDerWaalsContact CA-O 3.25Å; F501-G532 WeakPolarHBondContact CA-O 3.49Å; F501-G532 PolarHBondContact N-O 3.04Å; F501-G532 PolarHBondContact O-N 3.4Å; F501-G532 VanDerWaalsContact O-O 3.09Å
502	G	97.9	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.			trans	179.1	-157.3	-172.7	0	0	0	0	0	114.9	C477 G532	C477-G502 CarbonylContact C-O 3.59Å; G502-G532 PolarHBondContact N-O 3Å; G502-G532 VanDerWaalsContact N-O 3.11Å
503	C	98.4	Very high	97.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.22	C	C	.	.			trans	-140.5	109.9	-179.6	178.4	0	0	0	0	110.7	C477 P479 Y511 I519 E533 V552 Q556	C477-C503 WeakPolarHBondContact O-CA 3.46Å; P479-C503 HydrophobicContact CG-CB 4.29Å; C503-Y511 HydrophobicContact CB-CD2 3.58Å; C503-Y511 HydrophobicContact CB-CE2 3.84Å; C503-I519 HydrophobicContact CB-CD1 4.43Å; C503-E533 CarbonylContact C-O 3.57Å; C503-E533 PolarHBondContact N-O 3.47Å; C503-V552 HydrophobicContact CB-CG1 4.45Å; C503-Q556 PolarHBondContact O-NE2 2.88Å
504	H	98.4	Very high	97.2	Very high	28 Å²	28	41.9 Å²	41.9	13%	0.13	22%	0.218	C	C	.	.			trans	-57.3	146.7	174.6	-171.1	-104.6	0	0	0	111.5	C477 H506 F507 A508 E533 H570	C477-H504 HydrophobicContact CB-CB 3.88Å; C477-H504 PolarHBondContact O-N 2.58Å; H504-H506 AromaticContact CE1-CD2 3.12Å; H504-H506 PolarHBondContact CE1-CD2 3.12Å; H504-H506 AromaticContact CE1-CG 3.47Å; H504-H506 VanDerWaalsContact CE1-CG 3.47Å; H504-H506 AromaticContact CE1-NE2 3.57Å; H504-H506 VanDerWaalsContact ND1-CB 3.34Å; H504-H506 WeakPolarHBondContact ND1-CB 3.26Å; H504-H506 AromaticContact ND1-CD2 3.39Å; H504-H506 PolarHBondContact ND1-CD2 3.07Å; H504-H506 AromaticContact ND1-CG 3.45Å; H504-H506 PolarHBondContact ND1-N 2.72Å; H504-H506 VanDerWaalsContact ND1-N 3.15Å; H504-H506 PolarHBondContact O-N 3.46Å; H504-F507 HydrophobicContact CB-CD2 3.64Å; H504-F507 HydrophobicContact CB-CE2 4.01Å; H504-F507 PolarHBondContact O-N 3.48Å; H504-A508 PolarHBondContact O-N 2.93Å; H504-E533 IonicContact CD2-OE1 3.82Å; H504-E533 PolarHBondContact CD2-OE1 2.97Å; H504-E533 PolarHBondContact N-O 3.37Å; H504-E533 IonicContact NE2-OE1 3.13Å; H504-E533 PolarHBondContact NE2-OE1 3.33Å; H504-H570 AromaticContact CD2-CD2 3.84Å; H504-H570 AromaticContact NE2-CD2 3.38Å; H504-H570 PolarHBondContact NE2-CD2 2.76Å; H504-H570 AromaticContact NE2-NE2 3.65Å
505	P	98.4	Very high	97.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.013	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-25.3	175.3	14	-28.7	0	0	0	115.3	G535 D537 N542 T544 Q549	P505-G535 WeakPolarHBondContact CB-O 3.31Å; P505-D537 HydrophobicContact CB-CB 4.03Å; P505-D537 HydrophobicContact CG-CB 3.69Å; P505-N542 PolarHBondContact O-ND2 3.14Å; P505-T544 WeakPolarHBondContact O-CB 3.49Å; P505-Q549 HydrophobicContact CB-CG 4.2Å; P505-Q549 VanDerWaalsContact CB-OE1 3.23Å
506	H	97.6	Very high	97.3	Very high	56 Å²	56	36.2 Å²	36.2	26%	0.259	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-25.4	175.7	-65.5	-151.2	0	0	0	113.2	H504 D537 N542 T544	H504-H506 AromaticContact CE1-CD2 3.12Å; H504-H506 PolarHBondContact CE1-CD2 3.12Å; H504-H506 AromaticContact CE1-CG 3.47Å; H504-H506 VanDerWaalsContact CE1-CG 3.47Å; H504-H506 AromaticContact CE1-NE2 3.57Å; H504-H506 VanDerWaalsContact ND1-CB 3.34Å; H504-H506 WeakPolarHBondContact ND1-CB 3.26Å; H504-H506 AromaticContact ND1-CD2 3.39Å; H504-H506 PolarHBondContact ND1-CD2 3.07Å; H504-H506 AromaticContact ND1-CG 3.45Å; H504-H506 PolarHBondContact ND1-N 2.72Å; H504-H506 VanDerWaalsContact ND1-N 3.15Å; H504-H506 PolarHBondContact O-N 3.46Å; H506-D537 IonicContact CD2-OD2 3.8Å; H506-D537 IonicContact CE1-OD2 3.03Å; H506-D537 VanDerWaalsContact NE2-CG 3.28Å; H506-D537 IonicContact NE2-OD1 3.78Å; H506-D537 IonicContact NE2-OD2 3.94Å; H506-D537 PolarHBondContact NE2-OD2 3.38Å; H506-N542 WeakPolarHBondContact CA-OD1 3.41Å; H506-N542 PolarHBondContact CD2-ND2 3.23Å; H506-T544 PolarHBondContact O-OG1 2.68Å; H506-T544 VanDerWaalsContact O-OG1 3.04Å
507	F	97.2	Very high	97.2	Very high	60 Å²	60	37.4 Å²	37.4	26%	0.263	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-3.2	178.3	-52.7	-58.5	0	0	0	113.2	C477 N478 P479 H504 K509 G510 Y511	C477-F507 VanDerWaalsContact O-CD2 3.3Å; C477-F507 WeakPolarHBondContact O-CD2 3.26Å; N478-F507 HydrophobicContact CB-CD2 3.94Å; N478-F507 HydrophobicContact CB-CE2 3.55Å; N478-F507 HydrophobicContact CB-CZ 3.93Å; P479-F507 HydrophobicContact CG-CB 4.24Å; H504-F507 HydrophobicContact CB-CD2 3.64Å; H504-F507 HydrophobicContact CB-CE2 4.01Å; H504-F507 PolarHBondContact O-N 3.48Å; F507-K509 PolarHBondContact O-N 2.97Å; F507-G510 WeakPolarHBondContact O-CA 3.24Å; F507-G510 PolarHBondContact O-N 3.39Å; F507-Y511 PolarHBondContact O-N 3.15Å
508	A	97.6	Very high	97.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58.6	-22.1	-178.3	0	0	0	0	0	114.1	H504 G510 Y511 T544 R548 V552	H504-A508 PolarHBondContact O-N 2.93Å; A508-G510 VanDerWaalsContact C-N 3.33Å; A508-Y511 PolarHBondContact O-N 3.21Å; A508-T544 HydrophobicContact CB-CG2 4Å; A508-R548 WeakPolarHBondContact O-CG 3.44Å; A508-R548 PolarHBondContact O-NE 2.66Å; A508-V552 HydrophobicContact CB-CB 3.79Å; A508-V552 HydrophobicContact CB-CG1 3.91Å; A508-V552 HydrophobicContact CB-CG2 3.9Å
509	K	96.5	Very high	97	Very high	158 Å²	158	36.5 Å²	36.5	69%	0.687	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-62.2	-36.6	168.5	-174.9	175	-178	177.6	0	113	F507 T544	F507-K509 PolarHBondContact O-N 2.97Å; K509-T544 HydrophobicContact CB-CG2 3.98Å; K509-T544 WeakPolarHBondContact CB-OG1 3.38Å
510	G	93.9	Very high	96.9	Very high	27 Å²	27	38.7 Å²	38.7	28%	0.278	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-90.5	-2	179.5	0	0	0	0	0	115	F507 A508 Q515	F507-G510 WeakPolarHBondContact O-CA 3.24Å; F507-G510 PolarHBondContact O-N 3.39Å; A508-G510 VanDerWaalsContact C-N 3.33Å; G510-Q515 PolarHBondContact O-OE1 2.67Å
511	Y	97	Very high	96.7	Very high	13 Å²	13	40.5 Å²	40.5	5%	0.051	22%	0.219	C	C	.	.			trans	-65.4	134.9	176.4	-165.4	-96.6	0	0	0	111.1	C503 F507 A508 E516 I519 R548 V552 R555 Q556	C503-Y511 HydrophobicContact CB-CD2 3.58Å; C503-Y511 HydrophobicContact CB-CE2 3.84Å; F507-Y511 PolarHBondContact O-N 3.15Å; A508-Y511 PolarHBondContact O-N 3.21Å; Y511-E516 HydrophobicContact CE1-CB 4.25Å; Y511-E516 PolarHBondContact OH-OE2 2.85Å; Y511-I519 HydrophobicContact CE2-CD1 3.73Å; Y511-R548 PolarHBondContact O-NH2 3.19Å; Y511-V552 HydrophobicContact CD1-CB 4.48Å; Y511-V552 HydrophobicContact CD1-CG1 3.97Å; Y511-V552 HydrophobicContact CD1-CG2 3.87Å; Y511-V552 HydrophobicContact CD2-CG1 3.76Å; Y511-V552 HydrophobicContact CE1-CG1 4.35Å; Y511-V552 HydrophobicContact CE2-CG1 4.13Å; Y511-V552 HydrophobicContact CG-CB 4.45Å; Y511-V552 HydrophobicContact CG-CG1 3.64Å; Y511-V552 HydrophobicContact CG-CG2 3.94Å; Y511-R555 HydrophobicContact CE1-CG 4.09Å; Y511-Q556 HydrophobicContact CE2-CG 4.15Å
512	S	96.6	Very high	96.6	Very high	48 Å²	48	40.5 Å²	40.5	34%	0.336	22%	0.219	S	C	.	.			trans	-155.2	177.5	172.6	86.2	0	0	0	0	110	T514 Q515 E516	S512-T514 PolarHBondContact O-N 2.98Å; S512-T514 VanDerWaalsContact O-N 3.11Å; S512-T514 PolarHBondContact OG-N 3.02Å; S512-Q515 PolarHBondContact O-N 3.13Å; S512-Q515 PolarHBondContact OG-OE1 3.46Å; S512-E516 WeakPolarHBondContact O-CB 3.11Å; S512-E516 PolarHBondContact O-N 3.1Å
513	N	96.5	Very high	96.5	Very high	135 Å²	135	40.8 Å²	40.8	72%	0.722	22%	0.22	S	C	*	.	H	α-helix	trans	-53.4	-31.8	176.6	-60.9	3.9	0	0	0	112.8	S517	N513-S517 VanDerWaalsContact O-CB 3.31Å; N513-S517 WeakPolarHBondContact O-CB 3.42Å; N513-S517 PolarHBondContact O-N 2.9Å
514	T	95.8	Very high	96.3	Very high	86 Å²	86	50.1 Å²	50.1	53%	0.528	26%	0.255	S	S	.	.	H	α-helix	trans	-68.3	-47.8	176.1	-51.4	0	0	0	0	111.4	S512 S517 N518	S512-T514 PolarHBondContact O-N 2.98Å; S512-T514 VanDerWaalsContact O-N 3.11Å; S512-T514 PolarHBondContact OG-N 3.02Å; T514-S517 PolarHBondContact O-N 2.92Å; T514-N518 VanDerWaalsContact O-CG 3.26Å; T514-N518 PolarHBondContact O-N 3.45Å; T514-N518 PolarHBondContact O-OD1 3.04Å
515	Q	95.6	Very high	96.2	Very high	30 Å²	30	51 Å²	51	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-39.9	177.1	-78.4	66.4	40.7	0	0	111.4	P479 G510 S512 N518 I519	P479-Q515 HydrophobicContact CB-CB 3.78Å; P479-Q515 HydrophobicContact CB-CG 3.7Å; P479-Q515 HydrophobicContact CG-CB 4.42Å; P479-Q515 HydrophobicContact CG-CG 4.12Å; G510-Q515 PolarHBondContact O-OE1 2.67Å; S512-Q515 PolarHBondContact O-N 3.13Å; S512-Q515 PolarHBondContact OG-OE1 3.46Å; Q515-N518 PolarHBondContact O-N 2.85Å; Q515-I519 WeakPolarHBondContact O-CG1 3.3Å; Q515-I519 PolarHBondContact O-N 3.39Å; Q515-I519 VanDerWaalsContact O-N 3.09Å
516	E	97.1	Very high	96.1	Very high	20 Å²	20	56.7 Å²	56.7	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-60.6	-46.3	172.6	-174.2	-179.4	112.5	0	0	111.5	Y511 S512 N518 I519 L520 R555 L559	Y511-E516 HydrophobicContact CE1-CB 4.25Å; Y511-E516 PolarHBondContact OH-OE2 2.85Å; S512-E516 WeakPolarHBondContact O-CB 3.11Å; S512-E516 PolarHBondContact O-N 3.1Å; E516-N518 VanDerWaalsContact C-N 3.28Å; E516-N518 PolarHBondContact O-N 2.75Å; E516-I519 PolarHBondContact O-N 3.13Å; E516-I519 VanDerWaalsContact O-N 3.16Å; E516-L520 HydrophobicContact CG-CD1 4.04Å; E516-L520 HydrophobicContact CG-CG 4.42Å; E516-L520 VanDerWaalsContact O-CG 3.31Å; E516-L520 WeakPolarHBondContact O-CG 3.45Å; E516-L520 PolarHBondContact O-N 3.02Å; E516-R555 IonicContact OE1-CZ 3.81Å; E516-R555 IonicContact OE1-NE 3.34Å; E516-R555 PolarHBondContact OE1-NE 2.82Å; E516-R555 IonicContact OE1-NH2 3.16Å; E516-R555 PolarHBondContact OE1-NH2 3.34Å; E516-R555 WeakPolarHBondContact OE2-CG 3.07Å; E516-R555 IonicContact OE2-CZ 2.61Å; E516-R555 IonicContact OE2-NE 2.71Å; E516-R555 PolarHBondContact OE2-NE 2.85Å; E516-R555 IonicContact OE2-NH2 2.68Å; E516-R555 PolarHBondContact OE2-NH2 2.85Å; E516-L559 HydrophobicContact CG-CD1 3.69Å
517	S	95.8	Very high	96.1	Very high	70 Å²	70	56.2 Å²	56.2	49%	0.49	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-38.5	176.2	-171.5	0	0	0	0	112.2	N513 T514 L520 M521	N513-S517 VanDerWaalsContact O-CB 3.31Å; N513-S517 WeakPolarHBondContact O-CB 3.42Å; N513-S517 PolarHBondContact O-N 2.9Å; T514-S517 PolarHBondContact O-N 2.92Å; S517-L520 PolarHBondContact O-N 3.04Å; S517-M521 VanDerWaalsContact O-CB 3.27Å; S517-M521 WeakPolarHBondContact O-CB 3.36Å; S517-M521 PolarHBondContact O-N 3.44Å
518	N	95.1	Very high	96.2	Very high	29 Å²	29	53.4 Å²	53.4	16%	0.155	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-39.7	176.7	-64.2	-2.6	0	0	0	111.7	M482 T514 Q515 E516 M521 A522	M482-N518 HydrophobicContact CB-CB 4.37Å; T514-N518 VanDerWaalsContact O-CG 3.26Å; T514-N518 PolarHBondContact O-N 3.45Å; T514-N518 PolarHBondContact O-OD1 3.04Å; Q515-N518 PolarHBondContact O-N 2.85Å; E516-N518 VanDerWaalsContact C-N 3.28Å; E516-N518 PolarHBondContact O-N 2.75Å; N518-M521 PolarHBondContact O-N 3.37Å; N518-A522 PolarHBondContact O-N 2.83Å
519	I	96.4	Very high	96.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-50	172.5	-63.8	157.6	0	0	0	110.9	M482 F501 C503 Y511 Q515 E516 M521 A522 M523 F531	M482-I519 VanDerWaalsContact CE-CA 3.45Å; M482-I519 HydrophobicContact CE-CB 3.94Å; M482-I519 HydrophobicContact CE-CG1 3.46Å; M482-I519 VanDerWaalsContact CE-CG1 3.46Å; M482-I519 HydrophobicContact CE-CG2 4.43Å; M482-I519 HydrophobicContact SD-CD1 4.44Å; M482-I519 HydrophobicContact SD-CG1 3.49Å; M482-I519 WeakPolarHBondContact SD-CG1 3.37Å; F501-I519 HydrophobicContact CB-CG2 4.41Å; C503-I519 HydrophobicContact CB-CD1 4.43Å; Y511-I519 HydrophobicContact CE2-CD1 3.73Å; Q515-I519 WeakPolarHBondContact O-CG1 3.3Å; Q515-I519 PolarHBondContact O-N 3.39Å; Q515-I519 VanDerWaalsContact O-N 3.09Å; E516-I519 PolarHBondContact O-N 3.13Å; E516-I519 VanDerWaalsContact O-N 3.16Å; I519-M521 PolarHBondContact O-N 3.2Å; I519-A522 PolarHBondContact O-N 2.91Å; I519-M523 HydrophobicContact CG2-CG 4.39Å; I519-M523 VanDerWaalsContact O-CB 3.29Å; I519-M523 WeakPolarHBondContact O-CB 3.46Å; I519-M523 WeakPolarHBondContact O-CG 3.49Å; I519-M523 PolarHBondContact O-N 3.36Å; I519-F531 HydrophobicContact CG2-CE1 3.74Å; I519-F531 HydrophobicContact CG2-CE2 4.26Å; I519-F531 HydrophobicContact CG2-CZ 3.59Å
520	L	96.1	Very high	96.3	Very high	46 Å²	46	46.5 Å²	46.5	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-23.2	-179.1	-64.9	176.3	0	0	0	113.2	E516 S517 F531 L559 M563	E516-L520 HydrophobicContact CG-CD1 4.04Å; E516-L520 HydrophobicContact CG-CG 4.42Å; E516-L520 VanDerWaalsContact O-CG 3.31Å; E516-L520 WeakPolarHBondContact O-CG 3.45Å; E516-L520 PolarHBondContact O-N 3.02Å; S517-L520 PolarHBondContact O-N 3.04Å; L520-F531 HydrophobicContact CD2-CE2 4.34Å; L520-L559 HydrophobicContact CD1-CD2 4.42Å; L520-L559 HydrophobicContact CD2-CD2 4.38Å; L520-M563 HydrophobicContact CD2-CE 4.21Å; L520-M563 HydrophobicContact CD2-SD 3.37Å; L520-M563 WeakPolarHBondContact CD2-SD 3.37Å
521	M	94.9	Very high	96.5	Very high	40 Å²	40	45.2 Å²	45.2	20%	0.197	24%	0.239	C	C	.	.	H	α-helix	trans	-79	-52	173.7	-176.1	-78.1	-66.5	0	0	111.2	E485 W488 S517 N518 I519 M523 R524	E485-M521 HydrophobicContact CG-CE 3.9Å; E485-M521 WeakPolarHBondContact OE1-CE 3.15Å; W488-M521 HydrophobicContact CH2-CE 4.44Å; W488-M521 HydrophobicContact CH2-SD 4.2Å; W488-M521 HydrophobicContact CZ2-CE 3.79Å; W488-M521 HydrophobicContact CZ2-SD 4.13Å; S517-M521 VanDerWaalsContact O-CB 3.27Å; S517-M521 WeakPolarHBondContact O-CB 3.36Å; S517-M521 PolarHBondContact O-N 3.44Å; N518-M521 PolarHBondContact O-N 3.37Å; I519-M521 PolarHBondContact O-N 3.2Å; M521-M523 PolarHBondContact O-N 3.31Å; M521-R524 VanDerWaalsContact O-CB 3.27Å; M521-R524 WeakPolarHBondContact O-CB 3.36Å; M521-R524 WeakPolarHBondContact O-CG 3.22Å; M521-R524 PolarHBondContact O-N 3.22Å
522	A	95.1	Very high	96.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-34.7	177.4	0	0	0	0	0	112.5	M482 W488 F501 N518 I519 R524 H525	M482-A522 HydrophobicContact CE-CB 4.14Å; W488-A522 HydrophobicContact CD2-CB 4.19Å; W488-A522 HydrophobicContact CE3-CB 4.24Å; W488-A522 HydrophobicContact CH2-CB 3.72Å; W488-A522 HydrophobicContact CZ2-CB 3.58Å; W488-A522 HydrophobicContact CZ3-CB 4.01Å; F501-A522 HydrophobicContact CD1-CB 3.83Å; F501-A522 HydrophobicContact CD2-CB 4.41Å; F501-A522 HydrophobicContact CE1-CB 3.78Å; F501-A522 HydrophobicContact CE2-CB 4.38Å; F501-A522 HydrophobicContact CG-CB 4.13Å; F501-A522 HydrophobicContact CZ-CB 4.06Å; N518-A522 PolarHBondContact O-N 2.83Å; I519-A522 PolarHBondContact O-N 2.91Å; A522-R524 PolarHBondContact O-N 2.8Å; A522-H525 VanDerWaalsContact O-CB 3.29Å; A522-H525 WeakPolarHBondContact O-CB 3.41Å; A522-H525 PolarHBondContact O-N 3.25Å
523	M	95.9	Very high	96.6	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.025	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-11.3	174.1	-83.7	-72.7	-165.1	0	0	116.4	F501 I519 M521 H525 A528 A530 F531 M563 K565	F501-M523 HydrophobicContact CB-CE 4.11Å; F501-M523 HydrophobicContact CB-CG 4.35Å; I519-M523 HydrophobicContact CG2-CG 4.39Å; I519-M523 VanDerWaalsContact O-CB 3.29Å; I519-M523 WeakPolarHBondContact O-CB 3.46Å; I519-M523 WeakPolarHBondContact O-CG 3.49Å; I519-M523 PolarHBondContact O-N 3.36Å; M521-M523 PolarHBondContact O-N 3.31Å; M523-H525 VanDerWaalsContact C-N 3.33Å; M523-A528 HydrophobicContact SD-CB 4.27Å; M523-A530 WeakPolarHBondContact CE-O 3.09Å; M523-F531 HydrophobicContact CE-CB 3.42Å; M523-F531 VanDerWaalsContact CE-CB 3.42Å; M523-F531 HydrophobicContact CE-CD1 4.15Å; M523-F531 HydrophobicContact CE-CD2 3.43Å; M523-F531 VanDerWaalsContact CE-CD2 3.43Å; M523-F531 HydrophobicContact CE-CE2 4.23Å; M523-F531 HydrophobicContact CE-CG 3.39Å; M523-M563 HydrophobicContact CB-CE 3.59Å; M523-M563 HydrophobicContact CG-CE 4.15Å; M523-K565 HydrophobicContact CE-CG 4.27Å; M523-K565 HydrophobicContact SD-CD 4.11Å; M523-K565 HydrophobicContact SD-CG 4.03Å
524	R	94.9	Very high	96.6	Very high	197 Å²	197	36.1 Å²	36.1	74%	0.743	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.7	172.9	-61.2	172.7	-178.7	156.8	0.5	112.5	M521 A522	M521-R524 VanDerWaalsContact O-CB 3.27Å; M521-R524 WeakPolarHBondContact O-CB 3.36Å; M521-R524 WeakPolarHBondContact O-CG 3.22Å; M521-R524 PolarHBondContact O-N 3.22Å; A522-R524 PolarHBondContact O-N 2.8Å
525	H	96.8	Very high	96.8	Very high	48 Å²	48	32.1 Å²	32.1	22%	0.222	16%	0.164	C	C	.	.	S	Bend	trans	-65.2	134.6	179.8	-168.6	-98.9	0	0	0	110.4	W488 L492 A522 M523 K527 A528	W488-H525 HydrophobicContact CZ3-CB 4.25Å; L492-H525 VanDerWaalsContact CB-CE1 3.47Å; L492-H525 WeakPolarHBondContact CB-CE1 3.24Å; L492-H525 WeakPolarHBondContact CD1-ND1 3.48Å; A522-H525 VanDerWaalsContact O-CB 3.29Å; A522-H525 WeakPolarHBondContact O-CB 3.41Å; A522-H525 PolarHBondContact O-N 3.25Å; M523-H525 VanDerWaalsContact C-N 3.33Å; H525-K527 PolarHBondContact ND1-N 3.42Å; H525-K527 PolarHBondContact O-N 3.02Å; H525-A528 HydrophobicContact CB-CB 4.39Å; H525-A528 WeakPolarHBondContact O-CB 3.24Å; H525-A528 PolarHBondContact O-N 2.88Å
526	P	96.4	Very high	96.9	Very high	120 Å²	120	30.7 Å²	30.7	78%	0.779	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.2	-173.2	23.2	-34.3	0	0	0	113.8	A528	P526-A528 VanDerWaalsContact C-N 3.32Å
527	K	97.9	Very high	97	Very high	46 Å²	46	29.8 Å²	29.8	20%	0.2	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	2.4	173.3	-72.4	167.2	168.9	-178.5	0	114	L492 S493 E494 V497 G499 H525 V529	L492-K527 HydrophobicContact CB-CB 4.42Å; L492-K527 HydrophobicContact CB-CD 4.49Å; L492-K527 HydrophobicContact CD1-CB 4.25Å; L492-K527 WeakPolarHBondContact O-CD 3.29Å; L492-K527 WeakPolarHBondContact O-CE 3.46Å; L492-K527 PolarHBondContact O-NZ 3.38Å; S493-K527 PolarHBondContact O-NZ 2.61Å; E494-K527 PolarHBondContact O-NZ 3.18Å; V497-K527 WeakPolarHBondContact O-CD 3.31Å; G499-K527 PolarHBondContact N-O 3.02Å; H525-K527 PolarHBondContact ND1-N 3.42Å; H525-K527 PolarHBondContact O-N 3.02Å; K527-V529 PolarHBondContact O-N 3.1Å
528	A	97.8	Very high	97.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	95.1	172	0	0	0	0	0	109.8	G499 F501 M523 H525 P526 K565	G499-A528 CarbonylContact O-C 3.52Å; G499-A528 WeakPolarHBondContact O-CA 3.32Å; F501-A528 HydrophobicContact CD2-CB 3.71Å; F501-A528 HydrophobicContact CE2-CB 3.6Å; M523-A528 HydrophobicContact SD-CB 4.27Å; H525-A528 HydrophobicContact CB-CB 4.39Å; H525-A528 WeakPolarHBondContact O-CB 3.24Å; H525-A528 PolarHBondContact O-N 2.88Å; P526-A528 VanDerWaalsContact C-N 3.32Å; A528-K565 PolarHBondContact O-NZ 2.93Å
529	V	98.5	Very high	97.2	Very high	15 Å²	15	28.8 Å²	28.8	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-19.7	-168.2	-64.1	0	0	0	0	114.4	I473 W498 G499 K527 P566 Y699 I701	I473-V529 HydrophobicContact CD1-CG2 4Å; I473-V529 HydrophobicContact CG1-CG2 4.19Å; I473-V529 HydrophobicContact CG2-CG2 3.94Å; W498-V529 HydrophobicContact CB-CG1 4.08Å; W498-V529 HydrophobicContact CB-CG2 3.95Å; W498-V529 HydrophobicContact CG-CG1 4.12Å; G499-V529 PolarHBondContact O-N 3.36Å; K527-V529 PolarHBondContact O-N 3.1Å; V529-P566 WeakPolarHBondContact O-CD 3.22Å; V529-Y699 HydrophobicContact CG2-CD1 4.28Å; V529-I701 HydrophobicContact CG1-CG2 3.82Å
530	A	98.6	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.9	-172.1	0	0	0	0	0	114	A500 F501 M523 P566 V568 Y699	A500-A530 WeakPolarHBondContact CA-O 3.46Å; A500-A530 HydrophobicContact CB-CB 4.08Å; F501-A530 PolarHBondContact N-O 2.9Å; F501-A530 VanDerWaalsContact N-O 3.14Å; M523-A530 WeakPolarHBondContact CE-O 3.09Å; A530-P566 WeakPolarHBondContact CA-O 3.35Å; A530-P566 HydrophobicContact CB-CB 4.49Å; A530-V568 HydrophobicContact CB-CG2 3.77Å; A530-Y699 HydrophobicContact CB-CD1 3.98Å; A530-Y699 HydrophobicContact CB-CE1 3.6Å
531	F	98.6	Very high	97	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.7	175.2	-149.6	-48.1	0	0	0	110.3	F501 I519 L520 M523 M534 Q556 L559 A560 M563 K565 P566 L567 V568	F501-F531 VanDerWaalsContact O-CD1 3.29Å; F501-F531 WeakPolarHBondContact O-CD1 3.26Å; I519-F531 HydrophobicContact CG2-CE1 3.74Å; I519-F531 HydrophobicContact CG2-CE2 4.26Å; I519-F531 HydrophobicContact CG2-CZ 3.59Å; L520-F531 HydrophobicContact CD2-CE2 4.34Å; M523-F531 HydrophobicContact CE-CB 3.42Å; M523-F531 VanDerWaalsContact CE-CB 3.42Å; M523-F531 HydrophobicContact CE-CD1 4.15Å; M523-F531 HydrophobicContact CE-CD2 3.43Å; M523-F531 VanDerWaalsContact CE-CD2 3.43Å; M523-F531 HydrophobicContact CE-CE2 4.23Å; M523-F531 HydrophobicContact CE-CG 3.39Å; F531-M534 HydrophobicContact CB-CE 3.96Å; F531-M534 HydrophobicContact CD1-CE 3.42Å; F531-M534 VanDerWaalsContact CD1-CE 3.42Å; F531-M534 HydrophobicContact CE1-CE 4.2Å; F531-M534 HydrophobicContact CG-CE 3.93Å; F531-M534 WeakPolarHBondContact O-CE 3.06Å; F531-Q556 HydrophobicContact CD1-CB 4.48Å; F531-Q556 HydrophobicContact CE1-CB 3.96Å; F531-Q556 HydrophobicContact CE1-CG 3.96Å; F531-L559 HydrophobicContact CE2-CB 3.73Å; F531-L559 HydrophobicContact CZ-CB 3.94Å; F531-L559 HydrophobicContact CZ-CD1 4.26Å; F531-A560 HydrophobicContact CB-CB 3.48Å; F531-A560 VanDerWaalsContact CB-CB 3.48Å; F531-A560 HydrophobicContact CD1-CB 4.39Å; F531-A560 VanDerWaalsContact CD2-CA 3.49Å; F531-A560 HydrophobicContact CD2-CB 3.56Å; F531-A560 HydrophobicContact CE2-CB 4.37Å; F531-A560 HydrophobicContact CG-CB 3.56Å; F531-M563 HydrophobicContact CD2-SD 4.34Å; F531-M563 HydrophobicContact CE2-SD 3.99Å; F531-K565 HydrophobicContact CB-CB 4.08Å; F531-P566 PolarHBondContact N-O 3.42Å; F531-L567 CarbonylContact O-C 3.45Å; F531-L567 WeakPolarHBondContact O-CA 3.09Å; F531-V568 PolarHBondContact O-N 3.21Å
532	G	96.4	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.4	-174.7	-171.7	0	0	0	0	0	108.5	A500 F501 G502	A500-G532 CarbonylContact C-O 3.53Å; F501-G532 CarbonylContact C-O 3.44Å; F501-G532 VanDerWaalsContact CA-O 3.25Å; F501-G532 WeakPolarHBondContact CA-O 3.49Å; F501-G532 PolarHBondContact N-O 3.04Å; F501-G532 PolarHBondContact O-N 3.4Å; F501-G532 VanDerWaalsContact O-O 3.09Å; G502-G532 PolarHBondContact N-O 3Å; G502-G532 VanDerWaalsContact N-O 3.11Å
533	E	97.4	Very high	97	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-63.9	133.1	2.8	-157.7	-170.1	122.1	0	0	112	H438 H440 D475 C477 C503 H504 V568 H570 H595	H438-E533 IonicContact CE1-OE2 3.22Å; H438-E533 PolarHBondContact CE1-OE2 3.29Å; H438-E533 IonicContact NE2-OE2 3.61Å; H438-E533 PolarHBondContact NE2-OE2 2.85Å; H440-E533 IonicContact CE1-OE2 3.13Å; H440-E533 IonicContact NE2-OE2 3.78Å; D475-E533 PolarHBondContact OD1-N 3Å; C477-E533 HydrophobicContact CB-CB 3.68Å; C503-E533 CarbonylContact C-O 3.57Å; C503-E533 PolarHBondContact N-O 3.47Å; H504-E533 IonicContact CD2-OE1 3.82Å; H504-E533 PolarHBondContact CD2-OE1 2.97Å; H504-E533 PolarHBondContact N-O 3.37Å; H504-E533 IonicContact NE2-OE1 3.13Å; H504-E533 PolarHBondContact NE2-OE1 3.33Å; E533-V568 HydrophobicContact CB-CG1 4.41Å; E533-V568 HydrophobicContact CG-CG1 4.26Å; E533-H570 HydrophobicContact CG-CB 3.64Å; E533-H570 WeakPolarHBondContact OE1-CB 3.25Å; E533-H570 IonicContact OE1-CD2 2.96Å; E533-H570 PolarHBondContact OE1-CD2 2.72Å; E533-H570 IonicContact OE1-CG 3.66Å; E533-H595 IonicContact OE2-NE2 2.93Å
534	M	98.6	Very high	97.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.3	177.3	68.8	170.9	92.6	0	0	110.6	F531 F553 Q556 L557 A560 L567 V568 I569 H570	F531-M534 HydrophobicContact CB-CE 3.96Å; F531-M534 HydrophobicContact CD1-CE 3.42Å; F531-M534 VanDerWaalsContact CD1-CE 3.42Å; F531-M534 HydrophobicContact CE1-CE 4.2Å; F531-M534 HydrophobicContact CG-CE 3.93Å; F531-M534 WeakPolarHBondContact O-CE 3.06Å; M534-F553 HydrophobicContact CB-CD2 4.22Å; M534-F553 HydrophobicContact CG-CD2 3.91Å; M534-F553 HydrophobicContact CG-CE2 3.88Å; M534-F553 HydrophobicContact SD-CD2 3.88Å; M534-F553 HydrophobicContact SD-CE2 3.92Å; M534-Q556 HydrophobicContact CB-CB 4.4Å; M534-Q556 HydrophobicContact CE-CB 3.77Å; M534-Q556 HydrophobicContact SD-CB 3.55Å; M534-Q556 VanDerWaalsContact SD-CB 3.55Å; M534-L557 HydrophobicContact SD-CD2 3.75Å; M534-L557 HydrophobicContact SD-CG 4.1Å; M534-A560 HydrophobicContact CE-CB 4.17Å; M534-L567 HydrophobicContact CE-CD2 4.5Å; M534-V568 PolarHBondContact N-O 3.11Å; M534-I569 HydrophobicContact CG-CD1 3.94Å; M534-I569 WeakPolarHBondContact O-CA 3.34Å; M534-I569 HydrophobicContact SD-CD1 4.3Å; M534-H570 PolarHBondContact O-N 3.28Å
535	G	98.6	Very high	97.2	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-142.8	174.7	0	0	0	0	0	113.7	P505 H570	P505-G535 WeakPolarHBondContact CB-O 3.31Å; G535-H570 WeakPolarHBondContact CA-O 3.32Å
536	L	98.8	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	121.2	-170.5	-57.4	176.5	0	0	0	111.7	Y538 Q549 K550 F553 H570 C571 R572 A574 D577 L578 I581	L536-Y538 HydrophobicContact CB-CE1 4.11Å; L536-Y538 HydrophobicContact CD2-CE1 4.48Å; L536-Q549 HydrophobicContact CD2-CB 3.74Å; L536-K550 HydrophobicContact CD2-CG 3.9Å; L536-F553 HydrophobicContact CD2-CB 4.37Å; L536-F553 HydrophobicContact CD2-CD1 4.29Å; L536-F553 HydrophobicContact CG-CD1 4.14Å; L536-H570 PolarHBondContact N-O 3.21Å; L536-C571 HydrophobicContact CB-CB 4.46Å; L536-C571 CarbonylContact O-C 3.53Å; L536-C571 WeakPolarHBondContact O-CA 3.46Å; L536-C571 WeakPolarHBondContact O-CB 3.47Å; L536-R572 PolarHBondContact O-N 3.22Å; L536-A574 HydrophobicContact CB-CB 3.62Å; L536-A574 HydrophobicContact CD1-CB 4.35Å; L536-D577 HydrophobicContact CD1-CB 3.71Å; L536-L578 HydrophobicContact CB-CD1 4.3Å; L536-L578 HydrophobicContact CD1-CB 4.18Å; L536-L578 HydrophobicContact CD1-CD1 4.17Å; L536-L578 HydrophobicContact CG-CD1 4Å; L536-I581 HydrophobicContact CD1-CD1 4.41Å
537	D	98.6	Very high	97.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	105.9	174	-170.1	-32.6	0	0	0	108.7	P505 H506 S539 N542 Q549 H570 R572	P505-D537 HydrophobicContact CB-CB 4.03Å; P505-D537 HydrophobicContact CG-CB 3.69Å; H506-D537 IonicContact CD2-OD2 3.8Å; H506-D537 IonicContact CE1-OD2 3.03Å; H506-D537 VanDerWaalsContact NE2-CG 3.28Å; H506-D537 IonicContact NE2-OD1 3.78Å; H506-D537 IonicContact NE2-OD2 3.94Å; H506-D537 PolarHBondContact NE2-OD2 3.38Å; D537-S539 WeakPolarHBondContact OD1-CB 3.33Å; D537-S539 PolarHBondContact OD1-N 3.47Å; D537-S539 PolarHBondContact OD1-OG 3.48Å; D537-N542 HydrophobicContact CB-CB 4.5Å; D537-N542 WeakPolarHBondContact O-CB 3.44Å; D537-N542 PolarHBondContact O-ND2 2.86Å; D537-Q549 PolarHBondContact O-NE2 2.99Å; D537-Q549 PolarHBondContact O-OE1 2.87Å; D537-Q549 VanDerWaalsContact O-OE1 3.13Å; D537-H570 IonicContact OD2-CE1 3.67Å; D537-H570 IonicContact OD2-NE2 2.76Å; D537-H570 PolarHBondContact OD2-NE2 3.22Å; D537-H570 VanDerWaalsContact OD2-NE2 3.13Å; D537-R572 HydrophobicContact CB-CB 4.45Å; D537-R572 IonicContact OD2-NH1 3.87Å; D537-R572 PolarHBondContact OD2-NH1 2.95Å
538	Y	98.2	Very high	97.4	Very high	70 Å²	70	41.1 Å²	41.1	28%	0.275	22%	0.217	S	C	.	.			trans	-95.9	5.7	177.9	-63.8	-6.7	0	0	0	112.5	L536 K550 R572 D573 A574 D577	L536-Y538 HydrophobicContact CB-CE1 4.11Å; L536-Y538 HydrophobicContact CD2-CE1 4.48Å; Y538-K550 WeakPolarHBondContact OH-CE 3.48Å; Y538-R572 PolarHBondContact N-O 2.94Å; Y538-D573 VanDerWaalsContact CD2-O 3.32Å; Y538-D573 WeakPolarHBondContact CD2-O 3.39Å; Y538-A574 HydrophobicContact CD1-CB 3.97Å; Y538-A574 HydrophobicContact CD2-CB 3.48Å; Y538-A574 VanDerWaalsContact CD2-CB 3.48Å; Y538-A574 HydrophobicContact CE1-CB 4.03Å; Y538-A574 HydrophobicContact CE2-CB 3.56Å; Y538-A574 HydrophobicContact CG-CB 3.69Å; Y538-D577 WeakPolarHBondContact CE2-OD2 3.37Å; Y538-D577 PolarHBondContact OH-OD2 3.43Å
539	S	96.4	Very high	97.4	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.049	22%	0.218	C	C	.	.	S	Bend	trans	-65.5	150.8	175.8	75.6	0	0	0	0	110.6	D537 K541 N542 D573	D537-S539 WeakPolarHBondContact OD1-CB 3.33Å; D537-S539 PolarHBondContact OD1-N 3.47Å; D537-S539 PolarHBondContact OD1-OG 3.48Å; S539-K541 PolarHBondContact O-N 3.1Å; S539-N542 PolarHBondContact O-N 3.34Å; S539-D573 WeakPolarHBondContact CA-OD2 3.45Å; S539-D573 WeakPolarHBondContact CB-OD2 2.96Å
540	H	94.5	Very high	97.4	Very high	173 Å²	173	43.4 Å²	43.4	80%	0.801	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-5.2	178.7	63.3	-93.5	0	0	0	115.9
541	K	93.4	Very high	97.4	Very high	151 Å²	151	48.7 Å²	48.7	66%	0.657	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-23.5	176.1	-60.6	178.7	-176	170.5	0	112.5	S539	S539-K541 PolarHBondContact O-N 3.1Å
542	N	96.2	Very high	97.4	Very high	22 Å²	22	48.9 Å²	48.9	12%	0.118	25%	0.251	C	S	.	.			trans	-84.2	130.7	176.4	-163.8	-9.6	0	0	0	110.2	P505 H506 D537 S539 T544 Q549	P505-N542 PolarHBondContact O-ND2 3.14Å; H506-N542 WeakPolarHBondContact CA-OD1 3.41Å; H506-N542 PolarHBondContact CD2-ND2 3.23Å; D537-N542 HydrophobicContact CB-CB 4.5Å; D537-N542 WeakPolarHBondContact O-CB 3.44Å; D537-N542 PolarHBondContact O-ND2 2.86Å; S539-N542 PolarHBondContact O-N 3.34Å; N542-T544 WeakPolarHBondContact OD1-CB 3.26Å; N542-T544 PolarHBondContact OD1-N 3.34Å; N542-Q549 VanDerWaalsContact ND2-CD 3.26Å; N542-Q549 PolarHBondContact ND2-NE2 2.89Å; N542-Q549 PolarHBondContact ND2-OE1 3.49Å
543	S	95.4	Very high	97.6	Very high	110 Å²	110	49 Å²	49	77%	0.769	25%	0.252	S	S	*	.			trans	-107.2	3.8	174.9	57.2	0	0	0	0	113.6
544	T	96.9	Very high	97.6	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.055	26%	0.262	C	S	.	.	S	Bend	trans	-84.9	126.2	171.1	-64.2	0	0	0	0	110.2	P505 H506 A508 K509 N542 R548 Q549	P505-T544 WeakPolarHBondContact O-CB 3.49Å; H506-T544 PolarHBondContact O-OG1 2.68Å; H506-T544 VanDerWaalsContact O-OG1 3.04Å; A508-T544 HydrophobicContact CB-CG2 4Å; K509-T544 HydrophobicContact CB-CG2 3.98Å; K509-T544 WeakPolarHBondContact CB-OG1 3.38Å; N542-T544 WeakPolarHBondContact OD1-CB 3.26Å; N542-T544 PolarHBondContact OD1-N 3.34Å; T544-R548 HydrophobicContact CG2-CB 4.07Å; T544-R548 HydrophobicContact CG2-CG 4.02Å; T544-Q549 HydrophobicContact CG2-CG 3.91Å; T544-Q549 PolarHBondContact O-NE2 2.86Å
545	D	97.3	Very high	97.6	Very high	95 Å²	95	56.5 Å²	56.5	51%	0.508	28%	0.282	S	S	.	.			trans	-54.2	140.4	177	175.4	71.8	0	0	0	113.2	S547 R548 Q549	D545-S547 VanDerWaalsContact C-N 3.33Å; D545-S547 PolarHBondContact O-N 3.24Å; D545-S547 WeakPolarHBondContact OD2-CA 3.4Å; D545-S547 VanDerWaalsContact OD2-CB 3.24Å; D545-S547 WeakPolarHBondContact OD2-CB 3.23Å; D545-S547 PolarHBondContact OD2-N 3.5Å; D545-S547 PolarHBondContact OD2-OG 3.13Å; D545-R548 WeakPolarHBondContact O-CB 3.2Å; D545-R548 PolarHBondContact O-N 3.06Å; D545-R548 VanDerWaalsContact O-N 3.07Å; D545-R548 PolarHBondContact OD2-N 3.22Å; D545-Q549 WeakPolarHBondContact O-CG 3.29Å; D545-Q549 PolarHBondContact O-N 3.11Å
546	S	97.9	Very high	97.6	Very high	48 Å²	48	56.4 Å²	56.4	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-33.7	-174.1	61.3	0	0	0	0	113.2	R548 Q549 K550	S546-R548 VanDerWaalsContact C-N 3.3Å; S546-R548 PolarHBondContact O-N 3.02Å; S546-Q549 PolarHBondContact O-N 3.09Å; S546-K550 WeakPolarHBondContact O-CG 3.15Å; S546-K550 PolarHBondContact O-N 3.44Å
547	S	98.3	Very high	97.6	Very high	78 Å²	78	56.4 Å²	56.4	55%	0.545	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-36.3	175.5	77.3	0	0	0	0	111.5	D545 K550 Q551	D545-S547 VanDerWaalsContact C-N 3.33Å; D545-S547 PolarHBondContact O-N 3.24Å; D545-S547 WeakPolarHBondContact OD2-CA 3.4Å; D545-S547 VanDerWaalsContact OD2-CB 3.24Å; D545-S547 WeakPolarHBondContact OD2-CB 3.23Å; D545-S547 PolarHBondContact OD2-N 3.5Å; D545-S547 PolarHBondContact OD2-OG 3.13Å; S547-K550 PolarHBondContact O-N 3.2Å; S547-Q551 WeakPolarHBondContact O-CB 3.31Å; S547-Q551 PolarHBondContact O-N 2.81Å
548	R	98.3	Very high	97.6	Very high	77 Å²	77	62.1 Å²	62.1	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-69.6	-38.8	174.2	-177.4	54.6	175.6	-164.5	-6.2	111.9	A508 Y511 T544 D545 S546 Q551 V552	A508-R548 WeakPolarHBondContact O-CG 3.44Å; A508-R548 PolarHBondContact O-NE 2.66Å; Y511-R548 PolarHBondContact O-NH2 3.19Å; T544-R548 HydrophobicContact CG2-CB 4.07Å; T544-R548 HydrophobicContact CG2-CG 4.02Å; D545-R548 WeakPolarHBondContact O-CB 3.2Å; D545-R548 PolarHBondContact O-N 3.06Å; D545-R548 VanDerWaalsContact O-N 3.07Å; D545-R548 PolarHBondContact OD2-N 3.22Å; S546-R548 VanDerWaalsContact C-N 3.3Å; S546-R548 PolarHBondContact O-N 3.02Å; R548-Q551 PolarHBondContact O-N 2.71Å; R548-V552 WeakPolarHBondContact O-CG2 3.4Å; R548-V552 PolarHBondContact O-N 2.89Å; R548-V552 VanDerWaalsContact O-N 3.09Å
549	Q	98.8	Very high	97.6	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-51	172.9	-60.2	-177.7	46.3	0	0	110.9	P505 L536 D537 N542 T544 D545 S546 Q551 V552 F553	P505-Q549 HydrophobicContact CB-CG 4.2Å; P505-Q549 VanDerWaalsContact CB-OE1 3.23Å; L536-Q549 HydrophobicContact CD2-CB 3.74Å; D537-Q549 PolarHBondContact O-NE2 2.99Å; D537-Q549 PolarHBondContact O-OE1 2.87Å; D537-Q549 VanDerWaalsContact O-OE1 3.13Å; N542-Q549 VanDerWaalsContact ND2-CD 3.26Å; N542-Q549 PolarHBondContact ND2-NE2 2.89Å; N542-Q549 PolarHBondContact ND2-OE1 3.49Å; T544-Q549 HydrophobicContact CG2-CG 3.91Å; T544-Q549 PolarHBondContact O-NE2 2.86Å; D545-Q549 WeakPolarHBondContact O-CG 3.29Å; D545-Q549 PolarHBondContact O-N 3.11Å; S546-Q549 PolarHBondContact O-N 3.09Å; Q549-Q551 PolarHBondContact O-N 3.44Å; Q549-V552 PolarHBondContact O-N 3.17Å; Q549-F553 VanDerWaalsContact O-CB 3.31Å; Q549-F553 WeakPolarHBondContact O-CB 3.32Å; Q549-F553 PolarHBondContact O-N 2.98Å
550	K	98.8	Very high	97.7	Very high	57 Å²	57	59.6 Å²	59.6	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-55.2	-47.2	176.9	-67.8	180	-170.9	-168.5	0	112.3	L536 Y538 S546 S547 V552 F553 E554 D577 I581	L536-K550 HydrophobicContact CD2-CG 3.9Å; Y538-K550 WeakPolarHBondContact OH-CE 3.48Å; S546-K550 WeakPolarHBondContact O-CG 3.15Å; S546-K550 PolarHBondContact O-N 3.44Å; S547-K550 PolarHBondContact O-N 3.2Å; K550-V552 PolarHBondContact O-N 3.06Å; K550-F553 PolarHBondContact O-N 2.82Å; K550-E554 WeakPolarHBondContact O-CB 3.24Å; K550-E554 PolarHBondContact O-N 3.25Å; K550-D577 WeakPolarHBondContact CE-OD1 3.27Å; K550-D577 WeakPolarHBondContact CE-OD2 3.29Å; K550-D577 IonicContact NZ-OD1 3.81Å; K550-D577 PolarHBondContact NZ-OD1 3.02Å; K550-D577 IonicContact NZ-OD2 3.9Å; K550-D577 PolarHBondContact NZ-OD2 3.42Å; K550-I581 HydrophobicContact CB-CD1 3.78Å; K550-I581 HydrophobicContact CD-CD1 4.06Å; K550-I581 HydrophobicContact CG-CD1 3.6Å
551	Q	98.7	Very high	97.9	Very high	111 Å²	111	53 Å²	53	52%	0.519	27%	0.265	S	S	.	.	H	α-helix	trans	-60.2	-44	179.4	-172.8	-174.9	34.1	0	0	112.7	S547 R548 Q549 R555	S547-Q551 WeakPolarHBondContact O-CB 3.31Å; S547-Q551 PolarHBondContact O-N 2.81Å; R548-Q551 PolarHBondContact O-N 2.71Å; Q549-Q551 PolarHBondContact O-N 3.44Å; Q551-R555 WeakPolarHBondContact O-CB 3.4Å; Q551-R555 PolarHBondContact O-N 3.22Å; Q551-R555 VanDerWaalsContact O-N 3.1Å
552	V	98.8	Very high	98.1	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-74.2	-37	-179.7	171.9	0	0	0	0	111.4	C503 A508 Y511 R548 Q549 K550 R555 Q556	C503-V552 HydrophobicContact CB-CG1 4.45Å; A508-V552 HydrophobicContact CB-CB 3.79Å; A508-V552 HydrophobicContact CB-CG1 3.91Å; A508-V552 HydrophobicContact CB-CG2 3.9Å; Y511-V552 HydrophobicContact CD1-CB 4.48Å; Y511-V552 HydrophobicContact CD1-CG1 3.97Å; Y511-V552 HydrophobicContact CD1-CG2 3.87Å; Y511-V552 HydrophobicContact CD2-CG1 3.76Å; Y511-V552 HydrophobicContact CE1-CG1 4.35Å; Y511-V552 HydrophobicContact CE2-CG1 4.13Å; Y511-V552 HydrophobicContact CG-CB 4.45Å; Y511-V552 HydrophobicContact CG-CG1 3.64Å; Y511-V552 HydrophobicContact CG-CG2 3.94Å; R548-V552 WeakPolarHBondContact O-CG2 3.4Å; R548-V552 PolarHBondContact O-N 2.89Å; R548-V552 VanDerWaalsContact O-N 3.09Å; Q549-V552 PolarHBondContact O-N 3.17Å; K550-V552 PolarHBondContact O-N 3.06Å; V552-R555 PolarHBondContact O-N 3.37Å; V552-Q556 WeakPolarHBondContact O-CG 3.33Å; V552-Q556 PolarHBondContact O-N 3.14Å
553	F	98.9	Very high	98.2	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-52.9	172.9	179.4	-138	0	0	0	111.3	M534 L536 Q549 K550 R555 Q556 L557 I569 L578 I581 M582	M534-F553 HydrophobicContact CB-CD2 4.22Å; M534-F553 HydrophobicContact CG-CD2 3.91Å; M534-F553 HydrophobicContact CG-CE2 3.88Å; M534-F553 HydrophobicContact SD-CD2 3.88Å; M534-F553 HydrophobicContact SD-CE2 3.92Å; L536-F553 HydrophobicContact CD2-CB 4.37Å; L536-F553 HydrophobicContact CD2-CD1 4.29Å; L536-F553 HydrophobicContact CG-CD1 4.14Å; Q549-F553 VanDerWaalsContact O-CB 3.31Å; Q549-F553 WeakPolarHBondContact O-CB 3.32Å; Q549-F553 PolarHBondContact O-N 2.98Å; K550-F553 PolarHBondContact O-N 2.82Å; F553-R555 PolarHBondContact O-N 3.22Å; F553-Q556 PolarHBondContact O-N 2.95Å; F553-Q556 VanDerWaalsContact O-N 3.14Å; F553-L557 HydrophobicContact CD1-CD1 4.26Å; F553-L557 HydrophobicContact CD2-CD1 4.16Å; F553-L557 HydrophobicContact CD2-CD2 4.27Å; F553-L557 HydrophobicContact CD2-CG 3.91Å; F553-L557 HydrophobicContact CE1-CD1 3.89Å; F553-L557 HydrophobicContact CE2-CD1 3.81Å; F553-L557 HydrophobicContact CE2-CD2 3.58Å; F553-L557 HydrophobicContact CE2-CG 3.65Å; F553-L557 HydrophobicContact CG-CD1 4.38Å; F553-L557 HydrophobicContact CZ-CD1 3.68Å; F553-L557 HydrophobicContact CZ-CD2 3.98Å; F553-L557 HydrophobicContact CZ-CG 4.05Å; F553-L557 WeakPolarHBondContact O-CG 3.43Å; F553-L557 PolarHBondContact O-N 2.81Å; F553-I569 HydrophobicContact CE2-CD1 3.72Å; F553-I569 HydrophobicContact CZ-CD1 4.12Å; F553-I569 HydrophobicContact CZ-CG2 4.44Å; F553-L578 HydrophobicContact CD1-CD1 4.23Å; F553-L578 HydrophobicContact CE1-CD1 3.44Å; F553-L578 VanDerWaalsContact CE1-CD1 3.44Å; F553-L578 HydrophobicContact CE1-CG 4.13Å; F553-L578 HydrophobicContact CE2-CD1 4.41Å; F553-L578 HydrophobicContact CZ-CD1 3.53Å; F553-L578 HydrophobicContact CZ-CG 4.22Å; F553-I581 HydrophobicContact CD1-CB 4.23Å; F553-I581 HydrophobicContact CD1-CD1 4.31Å; F553-I581 HydrophobicContact CD1-CG2 3.58Å; F553-I581 HydrophobicContact CE1-CB 4.09Å; F553-I581 HydrophobicContact CE1-CG2 3.63Å; F553-M582 HydrophobicContact CE1-CG 4.24Å; F553-M582 HydrophobicContact CZ-CG 3.83Å; F553-M582 HydrophobicContact CZ-SD 4.32Å
554	E	98.8	Very high	98.3	Very high	51 Å²	51	54.6 Å²	54.6	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-53.9	-38.3	174.2	-89.5	-164.2	-151.8	0	0	113.4	K550 R558 I581	K550-E554 WeakPolarHBondContact O-CB 3.24Å; K550-E554 PolarHBondContact O-N 3.25Å; E554-R558 WeakPolarHBondContact O-CD 3.31Å; E554-R558 VanDerWaalsContact O-CG 3.31Å; E554-R558 WeakPolarHBondContact O-CG 3.45Å; E554-R558 PolarHBondContact O-N 3Å; E554-R558 IonicContact OE2-CZ 3.9Å; E554-R558 IonicContact OE2-NH1 2.7Å; E554-R558 PolarHBondContact OE2-NH1 3.15Å; E554-R558 IonicContact OE2-NH2 2.69Å; E554-R558 PolarHBondContact OE2-NH2 3.38Å; E554-I581 HydrophobicContact CG-CG1 4.49Å; E554-I581 HydrophobicContact CG-CG2 3.64Å
555	R	98.6	Very high	98.4	Very high	111 Å²	111	56.4 Å²	56.4	42%	0.419	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-48.4	177.2	-179.8	55	174.7	174.7	1.8	111.1	Y511 E516 Q551 V552 F553 R558 L559	Y511-R555 HydrophobicContact CE1-CG 4.09Å; E516-R555 IonicContact OE1-CZ 3.81Å; E516-R555 IonicContact OE1-NE 3.34Å; E516-R555 PolarHBondContact OE1-NE 2.82Å; E516-R555 IonicContact OE1-NH2 3.16Å; E516-R555 PolarHBondContact OE1-NH2 3.34Å; E516-R555 WeakPolarHBondContact OE2-CG 3.07Å; E516-R555 IonicContact OE2-CZ 2.61Å; E516-R555 IonicContact OE2-NE 2.71Å; E516-R555 PolarHBondContact OE2-NE 2.85Å; E516-R555 IonicContact OE2-NH2 2.68Å; E516-R555 PolarHBondContact OE2-NH2 2.85Å; Q551-R555 WeakPolarHBondContact O-CB 3.4Å; Q551-R555 PolarHBondContact O-N 3.22Å; Q551-R555 VanDerWaalsContact O-N 3.1Å; V552-R555 PolarHBondContact O-N 3.37Å; F553-R555 PolarHBondContact O-N 3.22Å; R555-R558 PolarHBondContact O-N 2.79Å; R555-L559 HydrophobicContact CG-CD1 4.18Å; R555-L559 WeakPolarHBondContact O-CG 3.48Å; R555-L559 PolarHBondContact O-N 3.36Å; R555-L559 VanDerWaalsContact O-N 3.15Å
556	Q	98.7	Very high	98.4	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-41.5	180	-70.1	-175.9	96.8	0	0	112.5	C503 Y511 F531 M534 V552 F553 R558 L559 A560	C503-Q556 PolarHBondContact O-NE2 2.88Å; Y511-Q556 HydrophobicContact CE2-CG 4.15Å; F531-Q556 HydrophobicContact CD1-CB 4.48Å; F531-Q556 HydrophobicContact CE1-CB 3.96Å; F531-Q556 HydrophobicContact CE1-CG 3.96Å; M534-Q556 HydrophobicContact CB-CB 4.4Å; M534-Q556 HydrophobicContact CE-CB 3.77Å; M534-Q556 HydrophobicContact SD-CB 3.55Å; M534-Q556 VanDerWaalsContact SD-CB 3.55Å; V552-Q556 WeakPolarHBondContact O-CG 3.33Å; V552-Q556 PolarHBondContact O-N 3.14Å; F553-Q556 PolarHBondContact O-N 2.95Å; F553-Q556 VanDerWaalsContact O-N 3.14Å; Q556-R558 VanDerWaalsContact C-N 3.34Å; Q556-R558 PolarHBondContact O-N 3.23Å; Q556-L559 PolarHBondContact O-N 3.34Å; Q556-A560 WeakPolarHBondContact O-CB 3.33Å; Q556-A560 PolarHBondContact O-N 2.91Å
557	L	98.8	Very high	98.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.6	-48.4	174.5	-71.3	178.9	0	0	0	111.8	M534 F553 L559 A560 V561 L567 I569 I581 M582 C585 V586	M534-L557 HydrophobicContact SD-CD2 3.75Å; M534-L557 HydrophobicContact SD-CG 4.1Å; F553-L557 HydrophobicContact CD1-CD1 4.26Å; F553-L557 HydrophobicContact CD2-CD1 4.16Å; F553-L557 HydrophobicContact CD2-CD2 4.27Å; F553-L557 HydrophobicContact CD2-CG 3.91Å; F553-L557 HydrophobicContact CE1-CD1 3.89Å; F553-L557 HydrophobicContact CE2-CD1 3.81Å; F553-L557 HydrophobicContact CE2-CD2 3.58Å; F553-L557 HydrophobicContact CE2-CG 3.65Å; F553-L557 HydrophobicContact CG-CD1 4.38Å; F553-L557 HydrophobicContact CZ-CD1 3.68Å; F553-L557 HydrophobicContact CZ-CD2 3.98Å; F553-L557 HydrophobicContact CZ-CG 4.05Å; F553-L557 WeakPolarHBondContact O-CG 3.43Å; F553-L557 PolarHBondContact O-N 2.81Å; L557-L559 VanDerWaalsContact C-N 3.35Å; L557-L559 PolarHBondContact O-N 2.91Å; L557-A560 PolarHBondContact O-N 3.02Å; L557-V561 WeakPolarHBondContact O-CB 3.43Å; L557-V561 VanDerWaalsContact O-CG2 3.31Å; L557-V561 WeakPolarHBondContact O-CG2 3.38Å; L557-V561 PolarHBondContact O-N 3.11Å; L557-L567 HydrophobicContact CD2-CD1 3.63Å; L557-I569 HydrophobicContact CD2-CD1 3.97Å; L557-I581 HydrophobicContact CD1-CG2 3.69Å; L557-M582 HydrophobicContact CD1-CG 4.4Å; L557-C585 HydrophobicContact CB-CB 3.97Å; L557-C585 HydrophobicContact CD1-CB 3.8Å; L557-V586 HydrophobicContact CB-CG2 4.45Å; L557-V586 HydrophobicContact CD1-CG2 4.09Å; L557-V586 HydrophobicContact CD2-CG2 3.74Å; L557-V586 HydrophobicContact CG-CG2 4.33Å
558	R	98.6	Very high	98.5	Very high	122 Å²	122	46.6 Å²	46.6	46%	0.46	22%	0.222	S	C	.	.	H	α-helix	trans	-65.8	-36.1	-179.1	-69.6	171.6	-175	128.2	7.5	112.6	E554 R555 Q556 A562 C585	E554-R558 WeakPolarHBondContact O-CD 3.31Å; E554-R558 VanDerWaalsContact O-CG 3.31Å; E554-R558 WeakPolarHBondContact O-CG 3.45Å; E554-R558 PolarHBondContact O-N 3Å; E554-R558 IonicContact OE2-CZ 3.9Å; E554-R558 IonicContact OE2-NH1 2.7Å; E554-R558 PolarHBondContact OE2-NH1 3.15Å; E554-R558 IonicContact OE2-NH2 2.69Å; E554-R558 PolarHBondContact OE2-NH2 3.38Å; R555-R558 PolarHBondContact O-N 2.79Å; Q556-R558 VanDerWaalsContact C-N 3.34Å; Q556-R558 PolarHBondContact O-N 3.23Å; R558-A562 VanDerWaalsContact O-CB 3.31Å; R558-A562 WeakPolarHBondContact O-CB 3.44Å; R558-A562 PolarHBondContact O-N 3.14Å; R558-C585 PolarHBondContact NH2-SG 3.24Å; R558-C585 VanDerWaalsContact NH2-SG 3.44Å
559	L	98.4	Very high	98.5	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.12	21%	0.208	C	C	.	.	H	α-helix	trans	-68.1	-47.7	173.9	-67.6	169.1	0	0	0	111.2	E516 L520 F531 R555 Q556 L557 V561 A562 M563	E516-L559 HydrophobicContact CG-CD1 3.69Å; L520-L559 HydrophobicContact CD1-CD2 4.42Å; L520-L559 HydrophobicContact CD2-CD2 4.38Å; F531-L559 HydrophobicContact CE2-CB 3.73Å; F531-L559 HydrophobicContact CZ-CB 3.94Å; F531-L559 HydrophobicContact CZ-CD1 4.26Å; R555-L559 HydrophobicContact CG-CD1 4.18Å; R555-L559 WeakPolarHBondContact O-CG 3.48Å; R555-L559 PolarHBondContact O-N 3.36Å; R555-L559 VanDerWaalsContact O-N 3.15Å; Q556-L559 PolarHBondContact O-N 3.34Å; L557-L559 VanDerWaalsContact C-N 3.35Å; L557-L559 PolarHBondContact O-N 2.91Å; L559-V561 PolarHBondContact O-N 2.97Å; L559-A562 PolarHBondContact O-N 2.59Å; L559-M563 WeakPolarHBondContact O-CB 3.41Å; L559-M563 VanDerWaalsContact O-CG 3.27Å; L559-M563 WeakPolarHBondContact O-CG 3.37Å; L559-M563 PolarHBondContact O-N 3.3Å
560	A	98.3	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-46.2	-179	0	0	0	0	0	112.7	F531 M534 Q556 L557 M563 Q564 K565 L567 Y590	F531-A560 HydrophobicContact CB-CB 3.48Å; F531-A560 VanDerWaalsContact CB-CB 3.48Å; F531-A560 HydrophobicContact CD1-CB 4.39Å; F531-A560 VanDerWaalsContact CD2-CA 3.49Å; F531-A560 HydrophobicContact CD2-CB 3.56Å; F531-A560 HydrophobicContact CE2-CB 4.37Å; F531-A560 HydrophobicContact CG-CB 3.56Å; M534-A560 HydrophobicContact CE-CB 4.17Å; Q556-A560 WeakPolarHBondContact O-CB 3.33Å; Q556-A560 PolarHBondContact O-N 2.91Å; L557-A560 PolarHBondContact O-N 3.02Å; A560-M563 CarbonylContact O-C 3.43Å; A560-M563 PolarHBondContact O-N 3.13Å; A560-M563 VanDerWaalsContact O-N 3.15Å; A560-Q564 PolarHBondContact O-N 2.81Å; A560-K565 PolarHBondContact O-N 3.14Å; A560-K565 VanDerWaalsContact O-N 3.13Å; A560-L567 HydrophobicContact CB-CD2 3.27Å; A560-Y590 PolarHBondContact O-OH 2.71Å
561	V	98.4	Very high	98.5	Very high	35 Å²	35	40.6 Å²	40.6	21%	0.212	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-41.7	175.2	171.8	0	0	0	0	111.4	L557 L559 M563 Q564 P587 Y590	L557-V561 WeakPolarHBondContact O-CB 3.43Å; L557-V561 VanDerWaalsContact O-CG2 3.31Å; L557-V561 WeakPolarHBondContact O-CG2 3.38Å; L557-V561 PolarHBondContact O-N 3.11Å; L559-V561 PolarHBondContact O-N 2.97Å; V561-M563 VanDerWaalsContact C-N 3.26Å; V561-M563 PolarHBondContact O-N 3.48Å; V561-Q564 PolarHBondContact O-N 3.33Å; V561-P587 HydrophobicContact CG1-CG 4.02Å; V561-Y590 WeakPolarHBondContact CA-OH 3.4Å; V561-Y590 HydrophobicContact CB-CE2 4.23Å; V561-Y590 HydrophobicContact CG1-CE2 4.21Å; V561-Y590 HydrophobicContact CG2-CD2 4.23Å; V561-Y590 HydrophobicContact CG2-CE1 4.4Å; V561-Y590 HydrophobicContact CG2-CE2 3.94Å
562	A	98.2	Very high	98.5	Very high	83 Å²	83	38.8 Å²	38.8	69%	0.686	19%	0.188	S	C	*	.	H	α-helix	trans	-66.3	-27.6	175.4	0	0	0	0	0	113.2	R558 L559	R558-A562 VanDerWaalsContact O-CB 3.31Å; R558-A562 WeakPolarHBondContact O-CB 3.44Å; R558-A562 PolarHBondContact O-N 3.14Å; L559-A562 PolarHBondContact O-N 2.59Å
563	M	97.8	Very high	98.4	Very high	65 Å²	65	43.7 Å²	43.7	32%	0.32	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-1	176.2	-64.9	178.9	77.2	0	0	113.9	L520 M523 F531 L559 A560 V561 K565	L520-M563 HydrophobicContact CD2-CE 4.21Å; L520-M563 HydrophobicContact CD2-SD 3.37Å; L520-M563 WeakPolarHBondContact CD2-SD 3.37Å; M523-M563 HydrophobicContact CB-CE 3.59Å; M523-M563 HydrophobicContact CG-CE 4.15Å; F531-M563 HydrophobicContact CD2-SD 4.34Å; F531-M563 HydrophobicContact CE2-SD 3.99Å; L559-M563 WeakPolarHBondContact O-CB 3.41Å; L559-M563 VanDerWaalsContact O-CG 3.27Å; L559-M563 WeakPolarHBondContact O-CG 3.37Å; L559-M563 PolarHBondContact O-N 3.3Å; A560-M563 CarbonylContact O-C 3.43Å; A560-M563 PolarHBondContact O-N 3.13Å; A560-M563 VanDerWaalsContact O-N 3.15Å; V561-M563 VanDerWaalsContact C-N 3.26Å; V561-M563 PolarHBondContact O-N 3.48Å; M563-K565 HydrophobicContact CB-CG 3.98Å; M563-K565 PolarHBondContact O-N 3.26Å; M563-K565 VanDerWaalsContact O-N 3.14Å
564	Q	97.6	Very high	98.4	Very high	169 Å²	169	43.8 Å²	43.8	79%	0.79	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	25.3	-176.7	-54.5	-179.3	3.2	0	0	114.1	A560 V561 Y590	A560-Q564 PolarHBondContact O-N 2.81Å; V561-Q564 PolarHBondContact O-N 3.33Å; Q564-Y590 VanDerWaalsContact CA-OH 3.32Å; Q564-Y590 WeakPolarHBondContact CA-OH 3.29Å
565	K	98	Very high	98.3	Very high	46 Å²	46	42.3 Å²	42.3	20%	0.2	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-84.8	132.9	177.4	-65.6	-69.1	-174.7	176.8	0	110.5	M523 A528 F531 A560 M563 Y590	M523-K565 HydrophobicContact CE-CG 4.27Å; M523-K565 HydrophobicContact SD-CD 4.11Å; M523-K565 HydrophobicContact SD-CG 4.03Å; A528-K565 PolarHBondContact O-NZ 2.93Å; F531-K565 HydrophobicContact CB-CB 4.08Å; A560-K565 PolarHBondContact O-N 3.14Å; A560-K565 VanDerWaalsContact O-N 3.13Å; M563-K565 HydrophobicContact CB-CG 3.98Å; M563-K565 PolarHBondContact O-N 3.26Å; M563-K565 VanDerWaalsContact O-N 3.14Å; K565-Y590 PolarHBondContact N-OH 2.59Å; K565-Y590 VanDerWaalsContact N-OH 3.1Å; K565-Y590 VanDerWaalsContact O-CE1 3.24Å; K565-Y590 WeakPolarHBondContact O-CE1 3.44Å; K565-Y590 PolarHBondContact O-OH 3.1Å
566	P	98.7	Very high	98.3	Very high	14 Å²	14	44 Å²	44	9%	0.091	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-48.6	145.1	166.9	-27.2	33.3	0	0	0	112.5	V529 A530 F531 K591 L698 Y699	V529-P566 WeakPolarHBondContact O-CD 3.22Å; A530-P566 WeakPolarHBondContact CA-O 3.35Å; A530-P566 HydrophobicContact CB-CB 4.49Å; F531-P566 PolarHBondContact N-O 3.42Å; P566-K591 WeakPolarHBondContact CA-O 3.41Å; P566-K591 HydrophobicContact CB-CB 4.21Å; P566-K591 HydrophobicContact CG-CB 4.36Å; P566-K591 HydrophobicContact CG-CD 4.4Å; P566-L698 HydrophobicContact CB-CD1 4.33Å; P566-L698 WeakPolarHBondContact CG-O 3.39Å; P566-Y699 HydrophobicContact CB-CD1 4.05Å; P566-Y699 HydrophobicContact CB-CE1 4.17Å; P566-Y699 HydrophobicContact CG-CD1 4.25Å
567	L	98.9	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.6	-177.6	-46.6	-174.8	0	0	0	111.4	F531 M534 L557 A560 I569 V586 Y590 K591 I592 H593	F531-L567 CarbonylContact O-C 3.45Å; F531-L567 WeakPolarHBondContact O-CA 3.09Å; M534-L567 HydrophobicContact CE-CD2 4.5Å; L557-L567 HydrophobicContact CD2-CD1 3.63Å; A560-L567 HydrophobicContact CB-CD2 3.27Å; L567-I569 HydrophobicContact CB-CD1 3.77Å; L567-I569 HydrophobicContact CB-CG1 3.88Å; L567-I569 HydrophobicContact CD1-CD1 4.19Å; L567-V586 HydrophobicContact CD1-CG1 3.85Å; L567-V586 HydrophobicContact CD1-CG2 3.82Å; L567-Y590 HydrophobicContact CD1-CD1 4.06Å; L567-Y590 HydrophobicContact CD1-CE1 4.26Å; L567-Y590 HydrophobicContact CD2-CD1 4.29Å; L567-Y590 HydrophobicContact CD2-CE1 3.66Å; L567-Y590 HydrophobicContact CG-CD1 3.8Å; L567-Y590 HydrophobicContact CG-CE1 3.63Å; L567-K591 PolarHBondContact N-O 3Å; L567-I592 HydrophobicContact CB-CG1 4.48Å; L567-I592 HydrophobicContact CD1-CG1 4.14Å; L567-I592 HydrophobicContact CG-CG1 4.42Å; L567-H593 WeakPolarHBondContact O-CB 3.4Å; L567-H593 PolarHBondContact O-N 3.45Å
568	V	98.9	Very high	98.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.3	168.5	-179.6	0	0	0	0	108.5	H438 A500 A530 F531 E533 M534 H593 H595 Y699	H438-V568 WeakPolarHBondContact ND1-CG1 3.34Å; A500-V568 HydrophobicContact CB-CG2 4.25Å; A530-V568 HydrophobicContact CB-CG2 3.77Å; F531-V568 PolarHBondContact O-N 3.21Å; E533-V568 HydrophobicContact CB-CG1 4.41Å; E533-V568 HydrophobicContact CG-CG1 4.26Å; M534-V568 PolarHBondContact N-O 3.11Å; V568-H593 HydrophobicContact CG2-CB 4.48Å; V568-H595 HydrophobicContact CG1-CB 4.17Å; V568-Y699 HydrophobicContact CG2-CE1 4.43Å
569	I	98.9	Very high	98.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	100.4	-164.9	-54.4	-67.7	0	0	0	111.6	M534 F553 L557 L567 L578 M582 I592 H593 R594 H595	M534-I569 HydrophobicContact CG-CD1 3.94Å; M534-I569 WeakPolarHBondContact O-CA 3.34Å; M534-I569 HydrophobicContact SD-CD1 4.3Å; F553-I569 HydrophobicContact CE2-CD1 3.72Å; F553-I569 HydrophobicContact CZ-CD1 4.12Å; F553-I569 HydrophobicContact CZ-CG2 4.44Å; L557-I569 HydrophobicContact CD2-CD1 3.97Å; L567-I569 HydrophobicContact CB-CD1 3.77Å; L567-I569 HydrophobicContact CB-CG1 3.88Å; L567-I569 HydrophobicContact CD1-CD1 4.19Å; I569-L578 HydrophobicContact CG2-CD1 4.06Å; I569-L578 HydrophobicContact CG2-CD2 3.8Å; I569-L578 HydrophobicContact CG2-CG 4.25Å; I569-M582 HydrophobicContact CG1-CE 4.4Å; I569-M582 HydrophobicContact CG2-SD 4.06Å; I569-I592 HydrophobicContact CB-CG2 4.44Å; I569-I592 HydrophobicContact CG1-CG2 3.73Å; I569-H593 PolarHBondContact N-O 3.49Å; I569-R594 PolarHBondContact O-NH1 3.44Å; I569-H595 PolarHBondContact O-N 2.71Å
570	H	98.8	Very high	98.3	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.014	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	146.7	166.3	169.2	37.4	0	0	0	111.3	H504 E533 M534 G535 L536 D537 R572	H504-H570 AromaticContact CD2-CD2 3.84Å; H504-H570 AromaticContact NE2-CD2 3.38Å; H504-H570 PolarHBondContact NE2-CD2 2.76Å; H504-H570 AromaticContact NE2-NE2 3.65Å; E533-H570 HydrophobicContact CG-CB 3.64Å; E533-H570 WeakPolarHBondContact OE1-CB 3.25Å; E533-H570 IonicContact OE1-CD2 2.96Å; E533-H570 PolarHBondContact OE1-CD2 2.72Å; E533-H570 IonicContact OE1-CG 3.66Å; M534-H570 PolarHBondContact O-N 3.28Å; G535-H570 WeakPolarHBondContact CA-O 3.32Å; L536-H570 PolarHBondContact N-O 3.21Å; D537-H570 IonicContact OD2-CE1 3.67Å; D537-H570 IonicContact OD2-NE2 2.76Å; D537-H570 PolarHBondContact OD2-NE2 3.22Å; D537-H570 VanDerWaalsContact OD2-NE2 3.13Å; H570-R572 PolarHBondContact CE1-NH1 2.87Å; H570-R572 VanDerWaalsContact CE1-NH1 3.34Å
571	C	98.5	Very high	98.4	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	151.4	154.7	129.9	0	0	0	0	111.7	L536 A574 D575 L578 R594	L536-C571 HydrophobicContact CB-CB 4.46Å; L536-C571 CarbonylContact O-C 3.53Å; L536-C571 WeakPolarHBondContact O-CA 3.46Å; L536-C571 WeakPolarHBondContact O-CB 3.47Å; C571-A574 VanDerWaalsContact SG-C 3.51Å; C571-D575 PolarHBondContact SG-N 3.35Å; C571-D575 PolarHBondContact SG-OD2 3.05Å; C571-L578 HydrophobicContact CB-CD1 3.76Å; C571-L578 HydrophobicContact CB-CD2 3.66Å; C571-L578 HydrophobicContact CB-CG 4.2Å; C571-R594 PolarHBondContact SG-NH2 2.75Å
572	R	98	Very high	98.4	Very high	74 Å²	74	44 Å²	44	28%	0.279	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	127.3	175.8	-172.8	168.2	-69.7	119.4	3.7	109.4	L536 D537 Y538 H570 A574	L536-R572 PolarHBondContact O-N 3.22Å; D537-R572 HydrophobicContact CB-CB 4.45Å; D537-R572 IonicContact OD2-NH1 3.87Å; D537-R572 PolarHBondContact OD2-NH1 2.95Å; Y538-R572 PolarHBondContact N-O 2.94Å; H570-R572 PolarHBondContact CE1-NH1 2.87Å; H570-R572 VanDerWaalsContact CE1-NH1 3.34Å; R572-A574 PolarHBondContact O-N 3.03Å
573	D	96.9	Very high	98.4	Very high	106 Å²	106	44.8 Å²	44.8	57%	0.567	22%	0.219	S	C	*	.	S	Bend	trans	58.8	26.4	178.6	-45.4	-34.6	0	0	0	113.9	Y538 S539	Y538-D573 VanDerWaalsContact CD2-O 3.32Å; Y538-D573 WeakPolarHBondContact CD2-O 3.39Å; S539-D573 WeakPolarHBondContact CA-OD2 3.45Å; S539-D573 WeakPolarHBondContact CB-OD2 2.96Å
574	A	98	Very high	98.4	Very high	5 Å²	5	47.7 Å²	47.7	4%	0.041	23%	0.229	C	C	.	.			trans	-144.1	14.8	-165.9	0	0	0	0	0	115.6	L536 Y538 C571 R572 D576 D577 L578	L536-A574 HydrophobicContact CB-CB 3.62Å; L536-A574 HydrophobicContact CD1-CB 4.35Å; Y538-A574 HydrophobicContact CD1-CB 3.97Å; Y538-A574 HydrophobicContact CD2-CB 3.48Å; Y538-A574 VanDerWaalsContact CD2-CB 3.48Å; Y538-A574 HydrophobicContact CE1-CB 4.03Å; Y538-A574 HydrophobicContact CE2-CB 3.56Å; Y538-A574 HydrophobicContact CG-CB 3.69Å; C571-A574 VanDerWaalsContact SG-C 3.51Å; R572-A574 PolarHBondContact O-N 3.03Å; A574-D576 PolarHBondContact O-N 3.46Å; A574-D577 PolarHBondContact O-N 3.32Å; A574-L578 PolarHBondContact O-N 3.26Å; A574-L578 VanDerWaalsContact O-N 3.1Å
575	D	98.2	Very high	98.4	Very high	19 Å²	19	40.4 Å²	40.4	10%	0.102	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-36.1	-166.8	-66.4	-98.4	0	0	0	114.9	C571 L578 L579 R594 V603 F607	C571-D575 PolarHBondContact SG-N 3.35Å; C571-D575 PolarHBondContact SG-OD2 3.05Å; D575-L578 WeakPolarHBondContact O-CB 3.17Å; D575-L578 PolarHBondContact O-N 3.18Å; D575-L579 WeakPolarHBondContact O-CB 3.44Å; D575-L579 PolarHBondContact O-N 3.42Å; D575-R594 IonicContact OD1-CZ 3.92Å; D575-R594 IonicContact OD1-NH2 3.13Å; D575-R594 PolarHBondContact OD1-NH2 3.27Å; D575-V603 HydrophobicContact CB-CG1 3.71Å; D575-V603 WeakPolarHBondContact OD1-CG1 3.46Å; D575-F607 HydrophobicContact CB-CE2 4.18Å; D575-F607 HydrophobicContact CB-CZ 4.31Å; D575-F607 WeakPolarHBondContact O-CZ 3.45Å
576	D	98.2	Very high	98.5	Very high	147 Å²	147	38.7 Å²	38.7	79%	0.786	19%	0.191	S	C	*	.	H	α-helix	trans	-62	-49.1	178.4	-68.7	-36.4	0	0	0	112.1	A574 L578 L579 E580	A574-D576 PolarHBondContact O-N 3.46Å; D576-L578 VanDerWaalsContact C-N 3.31Å; D576-L578 PolarHBondContact O-N 3.21Å; D576-L579 PolarHBondContact O-N 2.84Å; D576-E580 PolarHBondContact O-N 3.04Å
577	D	98.6	Very high	98.5	Very high	44 Å²	44	41.1 Å²	41.1	24%	0.235	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-38.4	176.9	-92	-44.4	0	0	0	111.7	L536 Y538 K550 A574 E580 I581	L536-D577 HydrophobicContact CD1-CB 3.71Å; Y538-D577 WeakPolarHBondContact CE2-OD2 3.37Å; Y538-D577 PolarHBondContact OH-OD2 3.43Å; K550-D577 WeakPolarHBondContact CE-OD1 3.27Å; K550-D577 WeakPolarHBondContact CE-OD2 3.29Å; K550-D577 IonicContact NZ-OD1 3.81Å; K550-D577 PolarHBondContact NZ-OD1 3.02Å; K550-D577 IonicContact NZ-OD2 3.9Å; K550-D577 PolarHBondContact NZ-OD2 3.42Å; A574-D577 PolarHBondContact O-N 3.32Å; D577-E580 PolarHBondContact O-N 3.31Å; D577-I581 WeakPolarHBondContact O-CB 3.46Å; D577-I581 WeakPolarHBondContact O-CG1 3.5Å; D577-I581 PolarHBondContact O-N 2.9Å
578	L	98.8	Very high	98.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-48.3	177.8	-167.2	85	0	0	0	110.5	L536 F553 I569 C571 A574 D575 D576 I581 M582 F607	L536-L578 HydrophobicContact CB-CD1 4.3Å; L536-L578 HydrophobicContact CD1-CB 4.18Å; L536-L578 HydrophobicContact CD1-CD1 4.17Å; L536-L578 HydrophobicContact CG-CD1 4Å; F553-L578 HydrophobicContact CD1-CD1 4.23Å; F553-L578 HydrophobicContact CE1-CD1 3.44Å; F553-L578 VanDerWaalsContact CE1-CD1 3.44Å; F553-L578 HydrophobicContact CE1-CG 4.13Å; F553-L578 HydrophobicContact CE2-CD1 4.41Å; F553-L578 HydrophobicContact CZ-CD1 3.53Å; F553-L578 HydrophobicContact CZ-CG 4.22Å; I569-L578 HydrophobicContact CG2-CD1 4.06Å; I569-L578 HydrophobicContact CG2-CD2 3.8Å; I569-L578 HydrophobicContact CG2-CG 4.25Å; C571-L578 HydrophobicContact CB-CD1 3.76Å; C571-L578 HydrophobicContact CB-CD2 3.66Å; C571-L578 HydrophobicContact CB-CG 4.2Å; A574-L578 PolarHBondContact O-N 3.26Å; A574-L578 VanDerWaalsContact O-N 3.1Å; D575-L578 WeakPolarHBondContact O-CB 3.17Å; D575-L578 PolarHBondContact O-N 3.18Å; D576-L578 VanDerWaalsContact C-N 3.31Å; D576-L578 PolarHBondContact O-N 3.21Å; L578-I581 PolarHBondContact O-N 3.42Å; L578-M582 HydrophobicContact CD2-SD 4.21Å; L578-M582 HydrophobicContact CG-SD 3.99Å; L578-M582 WeakPolarHBondContact O-CB 3.38Å; L578-M582 VanDerWaalsContact O-CG 3.24Å; L578-M582 WeakPolarHBondContact O-CG 3.02Å; L578-M582 PolarHBondContact O-N 3.44Å; L578-F607 HydrophobicContact CB-CZ 4.32Å; L578-F607 HydrophobicContact CD2-CE1 3.8Å; L578-F607 HydrophobicContact CD2-CZ 3.85Å; L578-F607 HydrophobicContact CG-CE1 4.35Å
579	L	98.8	Very high	98.3	Very high	23 Å²	23	52.9 Å²	52.9	12%	0.12	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-44.3	178.2	-175.9	59.1	0	0	0	111.5	D575 D576 I581 M582 K583 P606 F607 E610 F611	D575-L579 WeakPolarHBondContact O-CB 3.44Å; D575-L579 PolarHBondContact O-N 3.42Å; D576-L579 PolarHBondContact O-N 2.84Å; L579-I581 VanDerWaalsContact C-N 3.32Å; L579-I581 PolarHBondContact O-N 3.34Å; L579-M582 PolarHBondContact O-N 2.98Å; L579-K583 HydrophobicContact CD1-CG 4.3Å; L579-K583 HydrophobicContact CG-CD 4.5Å; L579-K583 WeakPolarHBondContact O-CG 3.41Å; L579-K583 PolarHBondContact O-N 3.46Å; L579-P606 HydrophobicContact CD2-CB 3.73Å; L579-F607 HydrophobicContact CB-CE1 3.79Å; L579-F607 HydrophobicContact CB-CE2 4.31Å; L579-F607 HydrophobicContact CB-CZ 3.68Å; L579-F607 HydrophobicContact CD1-CD1 3.77Å; L579-F607 HydrophobicContact CD1-CE1 3.89Å; L579-F607 HydrophobicContact CD1-CG 4.17Å; L579-F607 HydrophobicContact CD1-CZ 4.4Å; L579-F607 HydrophobicContact CG-CE1 4.39Å; L579-F607 HydrophobicContact CG-CZ 4.49Å; L579-E610 HydrophobicContact CD1-CB 4.42Å; L579-F611 HydrophobicContact CD1-CE2 4.1Å
580	E	98.8	Very high	98.3	Very high	106 Å²	106	54.2 Å²	54.2	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-40.3	178	-161.1	-165.8	138.4	0	0	111.9	D576 D577 K584	D576-E580 PolarHBondContact O-N 3.04Å; D577-E580 PolarHBondContact O-N 3.31Å; E580-K584 WeakPolarHBondContact O-CD 3.41Å; E580-K584 VanDerWaalsContact O-CG 3.32Å; E580-K584 WeakPolarHBondContact O-CG 3.32Å; E580-K584 VanDerWaalsContact OE1-CE 3.31Å; E580-K584 WeakPolarHBondContact OE1-CE 3.42Å; E580-K584 IonicContact OE1-NZ 2.68Å; E580-K584 PolarHBondContact OE1-NZ 2.93Å
581	I	98.8	Very high	98.3	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-71.3	-42.9	177.5	-73	169.3	0	0	0	111.6	L536 K550 F553 E554 L557 D577 L578 L579 K584 C585	L536-I581 HydrophobicContact CD1-CD1 4.41Å; K550-I581 HydrophobicContact CB-CD1 3.78Å; K550-I581 HydrophobicContact CD-CD1 4.06Å; K550-I581 HydrophobicContact CG-CD1 3.6Å; F553-I581 HydrophobicContact CD1-CB 4.23Å; F553-I581 HydrophobicContact CD1-CD1 4.31Å; F553-I581 HydrophobicContact CD1-CG2 3.58Å; F553-I581 HydrophobicContact CE1-CB 4.09Å; F553-I581 HydrophobicContact CE1-CG2 3.63Å; E554-I581 HydrophobicContact CG-CG1 4.49Å; E554-I581 HydrophobicContact CG-CG2 3.64Å; L557-I581 HydrophobicContact CD1-CG2 3.69Å; D577-I581 WeakPolarHBondContact O-CB 3.46Å; D577-I581 WeakPolarHBondContact O-CG1 3.5Å; D577-I581 PolarHBondContact O-N 2.9Å; L578-I581 PolarHBondContact O-N 3.42Å; L579-I581 VanDerWaalsContact C-N 3.32Å; L579-I581 PolarHBondContact O-N 3.34Å; I581-K584 PolarHBondContact O-N 3.3Å; I581-C585 PolarHBondContact O-N 2.9Å; I581-C585 PolarHBondContact O-SG 2.96Å; I581-C585 VanDerWaalsContact O-SG 3.37Å
582	M	98.8	Very high	98.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-45.7	178.5	-74	174	67	0	0	111.3	F553 L557 I569 L578 L579 K584 C585 V586 I592 F607 F611 L614	F553-M582 HydrophobicContact CE1-CG 4.24Å; F553-M582 HydrophobicContact CZ-CG 3.83Å; F553-M582 HydrophobicContact CZ-SD 4.32Å; L557-M582 HydrophobicContact CD1-CG 4.4Å; I569-M582 HydrophobicContact CG1-CE 4.4Å; I569-M582 HydrophobicContact CG2-SD 4.06Å; L578-M582 HydrophobicContact CD2-SD 4.21Å; L578-M582 HydrophobicContact CG-SD 3.99Å; L578-M582 WeakPolarHBondContact O-CB 3.38Å; L578-M582 VanDerWaalsContact O-CG 3.24Å; L578-M582 WeakPolarHBondContact O-CG 3.02Å; L578-M582 PolarHBondContact O-N 3.44Å; L579-M582 PolarHBondContact O-N 2.98Å; M582-K584 PolarHBondContact O-N 2.74Å; M582-K584 VanDerWaalsContact O-N 3.12Å; M582-C585 PolarHBondContact O-N 2.62Å; M582-V586 HydrophobicContact CB-CG2 4.34Å; M582-V586 HydrophobicContact CG-CG2 4.44Å; M582-V586 WeakPolarHBondContact O-CB 3.38Å; M582-V586 PolarHBondContact O-N 2.61Å; M582-I592 HydrophobicContact CE-CD1 3.77Å; M582-I592 HydrophobicContact CE-CG1 4.4Å; M582-I592 HydrophobicContact CE-CG2 4.06Å; M582-F607 HydrophobicContact SD-CD1 4.34Å; M582-F607 HydrophobicContact SD-CE1 4Å; M582-F611 HydrophobicContact CB-CE2 4.02Å; M582-F611 HydrophobicContact CB-CZ 3.75Å; M582-F611 HydrophobicContact CE-CD2 4.3Å; M582-F611 HydrophobicContact CE-CE2 3.97Å; M582-F611 HydrophobicContact CE-CZ 4.34Å; M582-L614 HydrophobicContact CE-CD1 4.41Å
583	K	98.5	Very high	98.4	Very high	100 Å²	100	54.2 Å²	54.2	44%	0.435	27%	0.265	S	S	.	.	H	α-helix	trans	-58.4	-25.2	176.2	-71.2	-171.4	-167.3	-139.5	0	114.1	L579 E610 F611	L579-K583 HydrophobicContact CD1-CG 4.3Å; L579-K583 HydrophobicContact CG-CD 4.5Å; L579-K583 WeakPolarHBondContact O-CG 3.41Å; L579-K583 PolarHBondContact O-N 3.46Å; K583-E610 HydrophobicContact CD-CG 4.19Å; K583-E610 VanDerWaalsContact CE-CD 3.45Å; K583-E610 VanDerWaalsContact CE-OE2 3.32Å; K583-E610 WeakPolarHBondContact CE-OE2 3.36Å; K583-E610 HydrophobicContact CG-CG 3.86Å; K583-E610 VanDerWaalsContact NZ-CD 3.28Å; K583-E610 IonicContact NZ-OE1 3.5Å; K583-E610 IonicContact NZ-OE2 3.84Å; K583-E610 PolarHBondContact NZ-OE2 2.92Å; K583-F611 HydrophobicContact CG-CZ 4.44Å
584	K	98.3	Very high	98.5	Very high	126 Å²	126	49.4 Å²	49.4	55%	0.548	24%	0.239	S	C	.	.	H	α-helix	trans	-85.9	-24.6	176.9	-67.5	165.8	-173.9	167.6	0	114	E580 I581 M582	E580-K584 WeakPolarHBondContact O-CD 3.41Å; E580-K584 VanDerWaalsContact O-CG 3.32Å; E580-K584 WeakPolarHBondContact O-CG 3.32Å; E580-K584 VanDerWaalsContact OE1-CE 3.31Å; E580-K584 WeakPolarHBondContact OE1-CE 3.42Å; E580-K584 IonicContact OE1-NZ 2.68Å; E580-K584 PolarHBondContact OE1-NZ 2.93Å; I581-K584 PolarHBondContact O-N 3.3Å; M582-K584 PolarHBondContact O-N 2.74Å; M582-K584 VanDerWaalsContact O-N 3.12Å
585	C	98.4	Very high	98.5	Very high	17 Å²	17	49.5 Å²	49.5	12%	0.115	24%	0.238	C	C	.	.	H	α-helix	trans	-120.9	-18	-164.9	-58.8	0	0	0	0	114.5	L557 R558 I581 M582	L557-C585 HydrophobicContact CB-CB 3.97Å; L557-C585 HydrophobicContact CD1-CB 3.8Å; R558-C585 PolarHBondContact NH2-SG 3.24Å; R558-C585 VanDerWaalsContact NH2-SG 3.44Å; I581-C585 PolarHBondContact O-N 2.9Å; I581-C585 PolarHBondContact O-SG 2.96Å; I581-C585 VanDerWaalsContact O-SG 3.37Å; M582-C585 PolarHBondContact O-N 2.62Å
586	V	98.6	Very high	98.5	Very high	10 Å²	10	49 Å²	49	6%	0.061	24%	0.236	C	C	.	.	S	Bend	trans	-120	128.4	-170.5	-172.1	0	0	0	0	109.6	L557 L567 M582 Y590 I592 F611	L557-V586 HydrophobicContact CB-CG2 4.45Å; L557-V586 HydrophobicContact CD1-CG2 4.09Å; L557-V586 HydrophobicContact CD2-CG2 3.74Å; L557-V586 HydrophobicContact CG-CG2 4.33Å; L567-V586 HydrophobicContact CD1-CG1 3.85Å; L567-V586 HydrophobicContact CD1-CG2 3.82Å; M582-V586 HydrophobicContact CB-CG2 4.34Å; M582-V586 HydrophobicContact CG-CG2 4.44Å; M582-V586 WeakPolarHBondContact O-CB 3.38Å; M582-V586 PolarHBondContact O-N 2.61Å; V586-Y590 HydrophobicContact CG1-CD1 4.11Å; V586-Y590 HydrophobicContact CG1-CG 3.92Å; V586-I592 HydrophobicContact CG1-CD1 4.17Å; V586-F611 HydrophobicContact CB-CE1 4.16Å; V586-F611 HydrophobicContact CG1-CE1 4.23Å
587	P	98.4	Very high	98.5	Very high	65 Å²	65	42.3 Å²	42.3	42%	0.422	20%	0.2	S	C	.	.			trans	-57.7	148.2	172	-23.9	34.2	0	0	0	111.7	V561 D589 Y590	V561-P587 HydrophobicContact CG1-CG 4.02Å; P587-D589 VanDerWaalsContact C-N 3.27Å; P587-D589 PolarHBondContact O-N 2.87Å; P587-Y590 HydrophobicContact CB-CD2 4.46Å; P587-Y590 HydrophobicContact CG-CD2 4.06Å; P587-Y590 WeakPolarHBondContact O-CB 3.33Å; P587-Y590 PolarHBondContact O-N 3.21Å
588	R	97.9	Very high	98.4	Very high	138 Å²	138	42.3 Å²	42.3	52%	0.521	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.1	-176.3	-161.5	-170.7	-179.4	-169.5	-2.6	113	Y590 T609 E610 F611 P612	R588-Y590 VanDerWaalsContact C-N 3.25Å; R588-Y590 PolarHBondContact O-N 3.04Å; R588-T609 PolarHBondContact NH2-O 3.12Å; R588-E610 WeakPolarHBondContact CD-O 3.31Å; R588-E610 WeakPolarHBondContact CG-O 3.5Å; R588-E610 PolarHBondContact NE-O 3.44Å; R588-F611 WeakPolarHBondContact O-CA 3.46Å; R588-F611 WeakPolarHBondContact O-CD1 3.16Å; R588-P612 WeakPolarHBondContact O-CD 3.3Å
589	D	97.3	Very high	98.3	Very high	109 Å²	109	43.9 Å²	43.9	58%	0.583	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	16.8	-172.4	-41.1	-46.2	0	0	0	112.3	P587 N613	P587-D589 VanDerWaalsContact C-N 3.27Å; P587-D589 PolarHBondContact O-N 2.87Å; D589-N613 PolarHBondContact O-ND2 2.99Å
590	Y	98.5	Very high	98.3	Very high	29 Å²	29	44.5 Å²	44.5	11%	0.114	22%	0.216	C	C	.	.			trans	-77.7	146.3	-174.9	-154.5	-89.1	0	0	0	112.5	A560 V561 Q564 K565 L567 V586 P587 R588 I592 N613	A560-Y590 PolarHBondContact O-OH 2.71Å; V561-Y590 WeakPolarHBondContact CA-OH 3.4Å; V561-Y590 HydrophobicContact CB-CE2 4.23Å; V561-Y590 HydrophobicContact CG1-CE2 4.21Å; V561-Y590 HydrophobicContact CG2-CD2 4.23Å; V561-Y590 HydrophobicContact CG2-CE1 4.4Å; V561-Y590 HydrophobicContact CG2-CE2 3.94Å; Q564-Y590 VanDerWaalsContact CA-OH 3.32Å; Q564-Y590 WeakPolarHBondContact CA-OH 3.29Å; K565-Y590 PolarHBondContact N-OH 2.59Å; K565-Y590 VanDerWaalsContact N-OH 3.1Å; K565-Y590 VanDerWaalsContact O-CE1 3.24Å; K565-Y590 WeakPolarHBondContact O-CE1 3.44Å; K565-Y590 PolarHBondContact O-OH 3.1Å; L567-Y590 HydrophobicContact CD1-CD1 4.06Å; L567-Y590 HydrophobicContact CD1-CE1 4.26Å; L567-Y590 HydrophobicContact CD2-CD1 4.29Å; L567-Y590 HydrophobicContact CD2-CE1 3.66Å; L567-Y590 HydrophobicContact CG-CD1 3.8Å; L567-Y590 HydrophobicContact CG-CE1 3.63Å; V586-Y590 HydrophobicContact CG1-CD1 4.11Å; V586-Y590 HydrophobicContact CG1-CG 3.92Å; P587-Y590 HydrophobicContact CB-CD2 4.46Å; P587-Y590 HydrophobicContact CG-CD2 4.06Å; P587-Y590 WeakPolarHBondContact O-CB 3.33Å; P587-Y590 PolarHBondContact O-N 3.21Å; R588-Y590 VanDerWaalsContact C-N 3.25Å; R588-Y590 PolarHBondContact O-N 3.04Å; Y590-I592 PolarHBondContact O-N 3.28Å; Y590-N613 WeakPolarHBondContact O-CB 3.28Å
591	K	98.6	Very high	98.2	Very high	88 Å²	88	41.8 Å²	41.8	38%	0.383	20%	0.202	S	C	.	.			trans	-76.3	117.9	-178.2	-55.2	-166.6	-174.3	-172.9	0	111.2	P566 L567 L697 L698	P566-K591 WeakPolarHBondContact CA-O 3.41Å; P566-K591 HydrophobicContact CB-CB 4.21Å; P566-K591 HydrophobicContact CG-CB 4.36Å; P566-K591 HydrophobicContact CG-CD 4.4Å; L567-K591 PolarHBondContact N-O 3Å; K591-L697 WeakPolarHBondContact CD-O 3.49Å; K591-L697 VanDerWaalsContact CE-O 3.29Å; K591-L697 WeakPolarHBondContact CE-O 3.45Å; K591-L697 PolarHBondContact NZ-O 2.89Å; K591-L698 HydrophobicContact CB-CD1 4.03Å; K591-L698 WeakPolarHBondContact CD-O 3.4Å
592	I	98.9	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.7	-173.4	-60	155.7	0	0	0	110.5	L567 I569 M582 V586 Y590 F611 N613 L614 Y615	L567-I592 HydrophobicContact CB-CG1 4.48Å; L567-I592 HydrophobicContact CD1-CG1 4.14Å; L567-I592 HydrophobicContact CG-CG1 4.42Å; I569-I592 HydrophobicContact CB-CG2 4.44Å; I569-I592 HydrophobicContact CG1-CG2 3.73Å; M582-I592 HydrophobicContact CE-CD1 3.77Å; M582-I592 HydrophobicContact CE-CG1 4.4Å; M582-I592 HydrophobicContact CE-CG2 4.06Å; V586-I592 HydrophobicContact CG1-CD1 4.17Å; Y590-I592 PolarHBondContact O-N 3.28Å; I592-F611 HydrophobicContact CD1-CB 3.85Å; I592-F611 HydrophobicContact CD1-CD1 3.63Å; I592-F611 HydrophobicContact CD1-CD2 4.19Å; I592-F611 HydrophobicContact CD1-CE1 4.25Å; I592-F611 HydrophobicContact CD1-CG 3.62Å; I592-N613 PolarHBondContact N-O 2.79Å; I592-L614 HydrophobicContact CB-CB 4.07Å; I592-L614 HydrophobicContact CB-CD1 4.14Å; I592-L614 HydrophobicContact CB-CG 4.04Å; I592-L614 HydrophobicContact CD1-CB 4.41Å; I592-L614 HydrophobicContact CD1-CD1 4.19Å; I592-L614 HydrophobicContact CG2-CB 4.48Å; I592-L614 HydrophobicContact CG2-CD1 3.73Å; I592-L614 HydrophobicContact CG2-CG 3.9Å; I592-L614 CarbonylContact O-C 3.48Å; I592-L614 WeakPolarHBondContact O-CA 3.34Å; I592-Y615 PolarHBondContact O-N 3.47Å
593	H	98.9	Very high	98.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.5	162.4	-174.7	-155.8	0	0	0	109.7	L567 V568 I569 H595 G617 V643 E645 L698 Y699	L567-H593 WeakPolarHBondContact O-CB 3.4Å; L567-H593 PolarHBondContact O-N 3.45Å; V568-H593 HydrophobicContact CG2-CB 4.48Å; I569-H593 PolarHBondContact N-O 3.49Å; H593-H595 PolarHBondContact O-N 3.17Å; H593-G617 WeakPolarHBondContact NE2-CA 3.25Å; H593-V643 WeakPolarHBondContact CD2-CG2 3.3Å; H593-V643 VanDerWaalsContact NE2-CG2 3.33Å; H593-V643 WeakPolarHBondContact NE2-CG2 3.31Å; H593-E645 IonicContact CE1-OE2 3.94Å; H593-E645 PolarHBondContact CE1-OE2 3.37Å; H593-E645 IonicContact NE2-OE2 3.68Å; H593-L698 HydrophobicContact CB-CD2 4.09Å; H593-Y699 VanDerWaalsContact CB-OH 3.26Å; H593-Y699 WeakPolarHBondContact CB-OH 3.33Å; H593-Y699 PolarHBondContact ND1-OH 2.98Å
594	R	98.7	Very high	98.2	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	78.5	170.5	-177.6	46.8	170.8	158.8	-0.8	109.1	I569 C571 D575 I604 L614 Y615 G617	I569-R594 PolarHBondContact O-NH1 3.44Å; C571-R594 PolarHBondContact SG-NH2 2.75Å; D575-R594 IonicContact OD1-CZ 3.92Å; D575-R594 IonicContact OD1-NH2 3.13Å; D575-R594 PolarHBondContact OD1-NH2 3.27Å; R594-I604 HydrophobicContact CB-CD1 4.36Å; R594-I604 HydrophobicContact CG-CD1 3.57Å; R594-L614 HydrophobicContact CB-CD1 4.5Å; R594-L614 HydrophobicContact CB-CD2 3.91Å; R594-L614 HydrophobicContact CB-CG 4.26Å; R594-Y615 WeakPolarHBondContact CB-O 3.33Å; R594-Y615 PolarHBondContact N-O 3.37Å; R594-G617 PolarHBondContact O-N 2.73Å
595	H	98.4	Very high	98.2	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.028	21%	0.211	C	C	.	.			trans	-59.4	149.1	-176	154.2	77.9	0	0	0	113.8	H438 E533 V568 I569 H593 F597 E645 D647	H438-H595 AromaticContact CD2-CE1 3.21Å; H438-H595 PolarHBondContact CD2-CE1 3.14Å; H438-H595 AromaticContact CD2-ND1 3.35Å; H438-H595 PolarHBondContact CD2-ND1 3.42Å; H438-H595 VanDerWaalsContact CD2-ND1 3.35Å; H438-H595 AromaticContact CE1-CE1 3.74Å; H438-H595 AromaticContact CE1-CG 3.82Å; H438-H595 AromaticContact CE1-ND1 3.6Å; H438-H595 AromaticContact CG-CE1 3.66Å; H438-H595 AromaticContact CG-ND1 3.27Å; H438-H595 VanDerWaalsContact CG-ND1 3.27Å; H438-H595 AromaticContact ND1-CE1 3.99Å; H438-H595 AromaticContact ND1-CG 3.81Å; H438-H595 AromaticContact ND1-ND1 3.46Å; H438-H595 PolarHBondContact ND1-ND1 2.93Å; H438-H595 AromaticContact NE2-CE1 3.26Å; H438-H595 PolarHBondContact NE2-CE1 3.32Å; H438-H595 VanDerWaalsContact NE2-CE1 3.26Å; H438-H595 AromaticContact NE2-ND1 3.55Å; H438-H595 AromaticContact NE2-NE2 3.77Å; E533-H595 IonicContact OE2-NE2 2.93Å; V568-H595 HydrophobicContact CG1-CB 4.17Å; I569-H595 PolarHBondContact O-N 2.71Å; H593-H595 PolarHBondContact O-N 3.17Å; H595-F597 PolarHBondContact O-N 2.91Å; H595-E645 IonicContact CE1-OE2 2.67Å; H595-E645 IonicContact CG-OE2 3.47Å; H595-E645 IonicContact ND1-OE1 3.08Å; H595-E645 IonicContact ND1-OE2 3.52Å; H595-E645 PolarHBondContact ND1-OE2 3.03Å; H595-D647 IonicContact CE1-OD1 3.1Å
596	C	98.1	Very high	98.2	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.054	22%	0.222	C	C	.	.	S	Bend	trans	40.9	57.5	175.6	-174.4	0	0	0	0	113.8	T598 T619 E645 F651	C596-T598 PolarHBondContact O-N 3.01Å; C596-T619 HydrophobicContact CB-CG2 4.07Å; C596-E645 WeakPolarHBondContact CA-OE1 3.5Å; C596-E645 PolarHBondContact N-OE1 3.41Å; C596-F651 VanDerWaalsContact SG-CE2 3.54Å
597	F	98.4	Very high	98.2	Very high	8 Å²	8	42 Å²	42	4%	0.035	22%	0.22	C	C	.	.			trans	-74	113	-179.2	-171.7	-103.2	0	0	0	112.1	H595 N599 S600 V603 I604 V616 G617 F618 A633	H595-F597 PolarHBondContact O-N 2.91Å; F597-N599 HydrophobicContact CE1-CB 4.4Å; F597-N599 WeakPolarHBondContact CE1-O 3.28Å; F597-N599 HydrophobicContact CE2-CB 3.91Å; F597-N599 HydrophobicContact CZ-CB 3.68Å; F597-S600 WeakPolarHBondContact CZ-O 3.21Å; F597-V603 HydrophobicContact CE2-CB 4.48Å; F597-V603 HydrophobicContact CE2-CG1 4.39Å; F597-V603 HydrophobicContact CZ-CB 4.26Å; F597-I604 HydrophobicContact CD2-CB 4.4Å; F597-I604 HydrophobicContact CD2-CD1 4.26Å; F597-I604 HydrophobicContact CE1-CB 3.99Å; F597-I604 HydrophobicContact CE1-CG2 3.8Å; F597-I604 HydrophobicContact CE2-CB 3.77Å; F597-I604 HydrophobicContact CE2-CD1 4.28Å; F597-I604 HydrophobicContact CE2-CG1 4.37Å; F597-I604 HydrophobicContact CE2-CG2 4.46Å; F597-I604 HydrophobicContact CZ-CB 3.54Å; F597-I604 HydrophobicContact CZ-CG1 4.44Å; F597-I604 HydrophobicContact CZ-CG2 3.75Å; F597-V616 HydrophobicContact CB-CG1 3.36Å; F597-V616 HydrophobicContact CD1-CG1 4.01Å; F597-V616 HydrophobicContact CG-CG1 3.72Å; F597-G617 PolarHBondContact N-O 3.43Å; F597-F618 HydrophobicContact CB-CE1 4.3Å; F597-F618 HydrophobicContact CB-CZ 4.44Å; F597-F618 AromaticContact CD1-CE1 3.99Å; F597-F618 HydrophobicContact CD1-CE1 3.99Å; F597-F618 AromaticContact CD1-CZ 3.89Å; F597-F618 HydrophobicContact CD1-CZ 3.89Å; F597-F618 WeakPolarHBondContact O-CE1 3.46Å; F597-A633 HydrophobicContact CD1-CB 4.34Å; F597-A633 HydrophobicContact CE1-CB 3.82Å
598	T	97.1	Very high	98.2	Very high	43 Å²	43	39.7 Å²	39.7	26%	0.264	20%	0.204	S	C	.	.			trans	-105.6	-11.6	-175.8	57.3	0	0	0	0	115.2	C596 L621 A630	C596-T598 PolarHBondContact O-N 3.01Å; T598-L621 HydrophobicContact CG2-CD2 3.52Å; T598-A630 PolarHBondContact O-N 2.85Å
599	N	96.8	Very high	98.2	Very high	33 Å²	33	37.3 Å²	37.3	18%	0.176	21%	0.205	C	C	.	.	S	Bend	trans	-97.6	-172.7	-162.2	-57.5	-5.9	0	0	0	111.7	F597 V603 E629 A630	F597-N599 HydrophobicContact CE1-CB 4.4Å; F597-N599 WeakPolarHBondContact CE1-O 3.28Å; F597-N599 HydrophobicContact CE2-CB 3.91Å; F597-N599 HydrophobicContact CZ-CB 3.68Å; N599-V603 HydrophobicContact CB-CB 4.21Å; N599-V603 HydrophobicContact CB-CG1 4.37Å; N599-V603 HydrophobicContact CB-CG2 4.16Å; N599-E629 CarbonylContact O-C 3.56Å; N599-E629 VanDerWaalsContact O-C 3.27Å; N599-A630 PolarHBondContact O-N 3.38Å
600	S	97.6	Very high	98.3	Very high	36 Å²	36	34.8 Å²	34.8	25%	0.252	19%	0.189	S	C	.	.			trans	-81.5	159.3	-180	65	0	0	0	0	113	F597 S602 V603	F597-S600 WeakPolarHBondContact CZ-O 3.21Å; S600-S602 PolarHBondContact O-N 2.9Å; S600-S602 PolarHBondContact OG-OG 3.29Å; S600-S602 VanDerWaalsContact OG-OG 3.12Å; S600-V603 WeakPolarHBondContact O-CB 3.35Å; S600-V603 PolarHBondContact O-N 3.39Å
601	Y	98.4	Very high	98.3	Very high	50 Å²	50	33.4 Å²	33.4	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-54.2	-37.4	-178.6	178.7	-108.5	0	0	0	113.7	V603 I604 E605 L608 Q636 I637	Y601-V603 PolarHBondContact O-N 3.21Å; Y601-V603 VanDerWaalsContact O-N 3.1Å; Y601-I604 HydrophobicContact CD2-CG2 4.03Å; Y601-I604 VanDerWaalsContact O-CG2 3.24Å; Y601-I604 WeakPolarHBondContact O-CG2 3.42Å; Y601-I604 PolarHBondContact O-N 2.86Å; Y601-E605 HydrophobicContact CD1-CB 4.34Å; Y601-E605 HydrophobicContact CE1-CB 3.83Å; Y601-E605 HydrophobicContact CE1-CG 4.09Å; Y601-E605 VanDerWaalsContact CE1-OE1 3.23Å; Y601-E605 WeakPolarHBondContact CE1-OE1 3.44Å; Y601-E605 HydrophobicContact CE2-CB 4.31Å; Y601-E605 WeakPolarHBondContact O-CB 3.39Å; Y601-E605 PolarHBondContact O-N 3.12Å; Y601-E605 PolarHBondContact OH-OE1 3.01Å; Y601-L608 HydrophobicContact CE2-CD1 4.21Å; Y601-Q636 HydrophobicContact CD1-CB 4.05Å; Y601-Q636 HydrophobicContact CD1-CG 4.45Å; Y601-Q636 HydrophobicContact CD2-CB 3.48Å; Y601-Q636 VanDerWaalsContact CD2-CB 3.48Å; Y601-Q636 HydrophobicContact CE1-CB 4.41Å; Y601-Q636 HydrophobicContact CE2-CB 3.89Å; Y601-Q636 HydrophobicContact CG-CB 3.59Å; Y601-Q636 HydrophobicContact CG-CG 4.25Å; Y601-I637 HydrophobicContact CD2-CG1 3.93Å; Y601-I637 HydrophobicContact CE2-CG1 4.16Å
602	S	98.2	Very high	98.3	Very high	80 Å²	80	31.7 Å²	31.7	56%	0.559	18%	0.182	S	C	*	.	H	α-helix	trans	-62.7	-16.7	178.1	54.6	0	0	0	0	114.6	S600 P606	S600-S602 PolarHBondContact O-N 2.9Å; S600-S602 PolarHBondContact OG-OG 3.29Å; S600-S602 VanDerWaalsContact OG-OG 3.12Å; S602-P606 WeakPolarHBondContact O-CD 3.48Å
603	V	98.2	Very high	98.2	Very high	41 Å²	41	34.7 Å²	34.7	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-83.8	-31.7	174.5	-177.5	0	0	0	0	111.3	D575 F597 N599 S600 Y601 F607	D575-V603 HydrophobicContact CB-CG1 3.71Å; D575-V603 WeakPolarHBondContact OD1-CG1 3.46Å; F597-V603 HydrophobicContact CE2-CB 4.48Å; F597-V603 HydrophobicContact CE2-CG1 4.39Å; F597-V603 HydrophobicContact CZ-CB 4.26Å; N599-V603 HydrophobicContact CB-CB 4.21Å; N599-V603 HydrophobicContact CB-CG1 4.37Å; N599-V603 HydrophobicContact CB-CG2 4.16Å; S600-V603 WeakPolarHBondContact O-CB 3.35Å; S600-V603 PolarHBondContact O-N 3.39Å; Y601-V603 PolarHBondContact O-N 3.21Å; Y601-V603 VanDerWaalsContact O-N 3.1Å; V603-F607 VanDerWaalsContact O-CD2 3.26Å; V603-F607 WeakPolarHBondContact O-CD2 3.37Å; V603-F607 WeakPolarHBondContact O-CE2 3.31Å
604	I	98.4	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-97.4	-26	-175.6	-170.1	64	0	0	0	113.4	R594 F597 Y601 F607 L608 L614 V616 I637	R594-I604 HydrophobicContact CB-CD1 4.36Å; R594-I604 HydrophobicContact CG-CD1 3.57Å; F597-I604 HydrophobicContact CD2-CB 4.4Å; F597-I604 HydrophobicContact CD2-CD1 4.26Å; F597-I604 HydrophobicContact CE1-CB 3.99Å; F597-I604 HydrophobicContact CE1-CG2 3.8Å; F597-I604 HydrophobicContact CE2-CB 3.77Å; F597-I604 HydrophobicContact CE2-CD1 4.28Å; F597-I604 HydrophobicContact CE2-CG1 4.37Å; F597-I604 HydrophobicContact CE2-CG2 4.46Å; F597-I604 HydrophobicContact CZ-CB 3.54Å; F597-I604 HydrophobicContact CZ-CG1 4.44Å; F597-I604 HydrophobicContact CZ-CG2 3.75Å; Y601-I604 HydrophobicContact CD2-CG2 4.03Å; Y601-I604 VanDerWaalsContact O-CG2 3.24Å; Y601-I604 WeakPolarHBondContact O-CG2 3.42Å; Y601-I604 PolarHBondContact O-N 2.86Å; I604-F607 HydrophobicContact CD1-CB 4.09Å; I604-F607 HydrophobicContact CD1-CD2 4.45Å; I604-F607 HydrophobicContact CD1-CG 4.48Å; I604-F607 WeakPolarHBondContact O-CB 3.32Å; I604-F607 PolarHBondContact O-N 2.76Å; I604-L608 HydrophobicContact CG1-CD1 4.06Å; I604-L608 HydrophobicContact CG1-CG 4.1Å; I604-L608 HydrophobicContact CG2-CD1 4.36Å; I604-L608 PolarHBondContact O-N 3.44Å; I604-L614 HydrophobicContact CD1-CD2 4.19Å; I604-V616 HydrophobicContact CD1-CG2 4Å; I604-V616 HydrophobicContact CG1-CG1 4.4Å; I604-V616 HydrophobicContact CG1-CG2 3.71Å; I604-I637 HydrophobicContact CG2-CD1 4.07Å; I604-I637 HydrophobicContact CG2-CG1 4.11Å
605	E	98.5	Very high	98.2	Very high	86 Å²	86	35.4 Å²	35.4	40%	0.402	20%	0.201	S	C	.	.	H	α-helix	trans	-50.5	-44.7	175.2	173.2	171.7	-115.2	0	0	113.8	Y601 F607 L608 T609	Y601-E605 HydrophobicContact CD1-CB 4.34Å; Y601-E605 HydrophobicContact CE1-CB 3.83Å; Y601-E605 HydrophobicContact CE1-CG 4.09Å; Y601-E605 VanDerWaalsContact CE1-OE1 3.23Å; Y601-E605 WeakPolarHBondContact CE1-OE1 3.44Å; Y601-E605 HydrophobicContact CE2-CB 4.31Å; Y601-E605 WeakPolarHBondContact O-CB 3.39Å; Y601-E605 PolarHBondContact O-N 3.12Å; Y601-E605 PolarHBondContact OH-OE1 3.01Å; E605-F607 VanDerWaalsContact C-N 3.28Å; E605-F607 PolarHBondContact O-N 3.18Å; E605-L608 PolarHBondContact O-N 2.95Å; E605-T609 WeakPolarHBondContact O-CB 3.48Å; E605-T609 PolarHBondContact O-N 3.05Å; E605-T609 PolarHBondContact O-OG1 3.48Å
606	P	98.6	Very high	98.3	Very high	53 Å²	53	35.1 Å²	35.1	34%	0.344	20%	0.199	S	C	.	.	H	α-helix	trans	-61.2	-33.7	175.5	-25.1	36.1	0	0	0	113.8	L579 S602 E610	L579-P606 HydrophobicContact CD2-CB 3.73Å; S602-P606 WeakPolarHBondContact O-CD 3.48Å; P606-E610 VanDerWaalsContact O-CB 3.3Å; P606-E610 WeakPolarHBondContact O-CB 3.31Å; P606-E610 PolarHBondContact O-N 2.67Å
607	F	98.7	Very high	98.3	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-74.9	-41.7	177.1	-68.3	-94.5	0	0	0	111.9	D575 L578 L579 M582 V603 I604 E605 T609 E610 F611 L614	D575-F607 HydrophobicContact CB-CE2 4.18Å; D575-F607 HydrophobicContact CB-CZ 4.31Å; D575-F607 WeakPolarHBondContact O-CZ 3.45Å; L578-F607 HydrophobicContact CB-CZ 4.32Å; L578-F607 HydrophobicContact CD2-CE1 3.8Å; L578-F607 HydrophobicContact CD2-CZ 3.85Å; L578-F607 HydrophobicContact CG-CE1 4.35Å; L579-F607 HydrophobicContact CB-CE1 3.79Å; L579-F607 HydrophobicContact CB-CE2 4.31Å; L579-F607 HydrophobicContact CB-CZ 3.68Å; L579-F607 HydrophobicContact CD1-CD1 3.77Å; L579-F607 HydrophobicContact CD1-CE1 3.89Å; L579-F607 HydrophobicContact CD1-CG 4.17Å; L579-F607 HydrophobicContact CD1-CZ 4.4Å; L579-F607 HydrophobicContact CG-CE1 4.39Å; L579-F607 HydrophobicContact CG-CZ 4.49Å; M582-F607 HydrophobicContact SD-CD1 4.34Å; M582-F607 HydrophobicContact SD-CE1 4Å; V603-F607 VanDerWaalsContact O-CD2 3.26Å; V603-F607 WeakPolarHBondContact O-CD2 3.37Å; V603-F607 WeakPolarHBondContact O-CE2 3.31Å; I604-F607 HydrophobicContact CD1-CB 4.09Å; I604-F607 HydrophobicContact CD1-CD2 4.45Å; I604-F607 HydrophobicContact CD1-CG 4.48Å; I604-F607 WeakPolarHBondContact O-CB 3.32Å; I604-F607 PolarHBondContact O-N 2.76Å; E605-F607 VanDerWaalsContact C-N 3.28Å; E605-F607 PolarHBondContact O-N 3.18Å; F607-T609 VanDerWaalsContact C-N 3.28Å; F607-T609 PolarHBondContact O-N 3.42Å; F607-E610 PolarHBondContact O-N 3.48Å; F607-F611 PolarHBondContact O-N 3.19Å; F607-L614 HydrophobicContact CB-CD1 3.9Å; F607-L614 HydrophobicContact CB-CD2 4.46Å; F607-L614 HydrophobicContact CD1-CD1 4.38Å
608	L	98.6	Very high	98.3	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.089	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-34.3	176.4	-67.3	167	0	0	0	112.1	Y601 I604 E605 L614 V616 I637 R641	Y601-L608 HydrophobicContact CE2-CD1 4.21Å; I604-L608 HydrophobicContact CG1-CD1 4.06Å; I604-L608 HydrophobicContact CG1-CG 4.1Å; I604-L608 HydrophobicContact CG2-CD1 4.36Å; I604-L608 PolarHBondContact O-N 3.44Å; E605-L608 PolarHBondContact O-N 2.95Å; L608-L614 HydrophobicContact CD2-CD2 3.88Å; L608-V616 HydrophobicContact CD2-CG2 3.99Å; L608-I637 HydrophobicContact CD1-CG1 4.14Å; L608-I637 HydrophobicContact CD1-CG2 4.09Å; L608-R641 HydrophobicContact CD2-CB 4.28Å
609	T	98.4	Very high	98.4	Very high	89 Å²	89	32.5 Å²	32.5	55%	0.546	18%	0.184	S	C	.	.	H	α-helix	trans	-73.7	-41.2	176.4	-57.1	0	0	0	0	111.9	R588 E605 F607	R588-T609 PolarHBondContact NH2-O 3.12Å; E605-T609 WeakPolarHBondContact O-CB 3.48Å; E605-T609 PolarHBondContact O-N 3.05Å; E605-T609 PolarHBondContact O-OG1 3.48Å; F607-T609 VanDerWaalsContact C-N 3.28Å; F607-T609 PolarHBondContact O-N 3.42Å
610	E	98.6	Very high	98.4	Very high	55 Å²	55	31 Å²	31	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-69.6	-51.1	177.1	-170.8	68.9	-169.6	0	0	111.2	L579 K583 R588 P606 F607 P612	L579-E610 HydrophobicContact CD1-CB 4.42Å; K583-E610 HydrophobicContact CD-CG 4.19Å; K583-E610 VanDerWaalsContact CE-CD 3.45Å; K583-E610 VanDerWaalsContact CE-OE2 3.32Å; K583-E610 WeakPolarHBondContact CE-OE2 3.36Å; K583-E610 HydrophobicContact CG-CG 3.86Å; K583-E610 VanDerWaalsContact NZ-CD 3.28Å; K583-E610 IonicContact NZ-OE1 3.5Å; K583-E610 IonicContact NZ-OE2 3.84Å; K583-E610 PolarHBondContact NZ-OE2 2.92Å; R588-E610 WeakPolarHBondContact CD-O 3.31Å; R588-E610 WeakPolarHBondContact CG-O 3.5Å; R588-E610 PolarHBondContact NE-O 3.44Å; P606-E610 VanDerWaalsContact O-CB 3.3Å; P606-E610 WeakPolarHBondContact O-CB 3.31Å; P606-E610 PolarHBondContact O-N 2.67Å; F607-E610 PolarHBondContact O-N 3.48Å; E610-P612 WeakPolarHBondContact O-CD 3.46Å
611	F	98.6	Very high	98.4	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	17%	0.174	C	C	.	.			trans	-112.7	104.5	-171	-57.9	-78.5	0	0	0	111.3	L579 M582 K583 V586 R588 I592 F607 N613 L614 R641	L579-F611 HydrophobicContact CD1-CE2 4.1Å; M582-F611 HydrophobicContact CB-CE2 4.02Å; M582-F611 HydrophobicContact CB-CZ 3.75Å; M582-F611 HydrophobicContact CE-CD2 4.3Å; M582-F611 HydrophobicContact CE-CE2 3.97Å; M582-F611 HydrophobicContact CE-CZ 4.34Å; K583-F611 HydrophobicContact CG-CZ 4.44Å; V586-F611 HydrophobicContact CB-CE1 4.16Å; V586-F611 HydrophobicContact CG1-CE1 4.23Å; R588-F611 WeakPolarHBondContact O-CA 3.46Å; R588-F611 WeakPolarHBondContact O-CD1 3.16Å; I592-F611 HydrophobicContact CD1-CB 3.85Å; I592-F611 HydrophobicContact CD1-CD1 3.63Å; I592-F611 HydrophobicContact CD1-CD2 4.19Å; I592-F611 HydrophobicContact CD1-CE1 4.25Å; I592-F611 HydrophobicContact CD1-CG 3.62Å; F607-F611 PolarHBondContact O-N 3.19Å; F611-N613 VanDerWaalsContact C-N 3.26Å; F611-N613 PolarHBondContact O-N 3.4Å; F611-L614 HydrophobicContact CB-CB 3.79Å; F611-L614 HydrophobicContact CB-CD1 4.27Å; F611-L614 HydrophobicContact CD2-CD1 4.22Å; F611-L614 WeakPolarHBondContact O-CB 3.2Å; F611-L614 PolarHBondContact O-N 2.87Å; F611-R641 PolarHBondContact O-NH2 3.14Å
612	P	98	Very high	98.4	Very high	51 Å²	51	28.8 Å²	28.8	33%	0.331	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.9	179.5	-25.1	36	0	0	0	114.3	R588 E610 R641	R588-P612 WeakPolarHBondContact O-CD 3.3Å; E610-P612 WeakPolarHBondContact O-CD 3.46Å; P612-R641 PolarHBondContact O-NE 2.91Å; P612-R641 PolarHBondContact O-NH1 2.97Å; P612-R641 PolarHBondContact O-NH2 3.41Å
613	N	98.2	Very high	98.4	Very high	63 Å²	63	25 Å²	25	34%	0.337	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	26.5	-177.6	-66.3	-24.2	0	0	0	113.2	D589 Y590 I592 F611	D589-N613 PolarHBondContact O-ND2 2.99Å; Y590-N613 WeakPolarHBondContact O-CB 3.28Å; I592-N613 PolarHBondContact N-O 2.79Å; F611-N613 VanDerWaalsContact C-N 3.26Å; F611-N613 PolarHBondContact O-N 3.4Å
614	L	98.8	Very high	98.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.6	172.8	-177.6	150.6	0	0	0	111.1	M582 I592 R594 I604 F607 L608 F611 V616 R641	M582-L614 HydrophobicContact CE-CD1 4.41Å; I592-L614 HydrophobicContact CB-CB 4.07Å; I592-L614 HydrophobicContact CB-CD1 4.14Å; I592-L614 HydrophobicContact CB-CG 4.04Å; I592-L614 HydrophobicContact CD1-CB 4.41Å; I592-L614 HydrophobicContact CD1-CD1 4.19Å; I592-L614 HydrophobicContact CG2-CB 4.48Å; I592-L614 HydrophobicContact CG2-CD1 3.73Å; I592-L614 HydrophobicContact CG2-CG 3.9Å; I592-L614 CarbonylContact O-C 3.48Å; I592-L614 WeakPolarHBondContact O-CA 3.34Å; R594-L614 HydrophobicContact CB-CD1 4.5Å; R594-L614 HydrophobicContact CB-CD2 3.91Å; R594-L614 HydrophobicContact CB-CG 4.26Å; I604-L614 HydrophobicContact CD1-CD2 4.19Å; F607-L614 HydrophobicContact CB-CD1 3.9Å; F607-L614 HydrophobicContact CB-CD2 4.46Å; F607-L614 HydrophobicContact CD1-CD1 4.38Å; L608-L614 HydrophobicContact CD2-CD2 3.88Å; F611-L614 HydrophobicContact CB-CB 3.79Å; F611-L614 HydrophobicContact CB-CD1 4.27Å; F611-L614 HydrophobicContact CD2-CD1 4.22Å; F611-L614 WeakPolarHBondContact O-CB 3.2Å; F611-L614 PolarHBondContact O-N 2.87Å; L614-V616 HydrophobicContact CD2-CG2 4.15Å; L614-R641 VanDerWaalsContact O-CZ 3.24Å; L614-R641 PolarHBondContact O-NE 2.93Å; L614-R641 PolarHBondContact O-NH2 2.73Å
615	Y	98.9	Very high	98.1	Very high	19 Å²	19	31.4 Å²	31.4	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.2	176.1	-60.2	-97.8	0	0	0	109.9	I592 R594 D640 R641 V643 N694 L697 L698	I592-Y615 PolarHBondContact O-N 3.47Å; R594-Y615 WeakPolarHBondContact CB-O 3.33Å; R594-Y615 PolarHBondContact N-O 3.37Å; Y615-D640 WeakPolarHBondContact CE1-O 3.34Å; Y615-R641 CarbonylContact C-O 3.56Å; Y615-R641 WeakPolarHBondContact CA-O 3.41Å; Y615-V643 HydrophobicContact CD1-CG1 4.18Å; Y615-V643 HydrophobicContact CG-CG1 4.27Å; Y615-N694 HydrophobicContact CD1-CB 3.79Å; Y615-N694 HydrophobicContact CE1-CB 3.63Å; Y615-L697 WeakPolarHBondContact OH-CB 3.2Å; Y615-L698 HydrophobicContact CD2-CB 4.05Å; Y615-L698 HydrophobicContact CD2-CD1 3.9Å; Y615-L698 HydrophobicContact CD2-CD2 3.95Å; Y615-L698 HydrophobicContact CD2-CG 4.18Å; Y615-L698 HydrophobicContact CE2-CB 4.02Å; Y615-L698 HydrophobicContact CE2-CD1 4.32Å; Y615-L698 HydrophobicContact CG-CD2 4.13Å
616	V	98.9	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.6	-176.3	-168.6	0	0	0	0	110	F597 I604 L608 L614 F618 I637 R641 I642 V643	F597-V616 HydrophobicContact CB-CG1 3.36Å; F597-V616 HydrophobicContact CD1-CG1 4.01Å; F597-V616 HydrophobicContact CG-CG1 3.72Å; I604-V616 HydrophobicContact CD1-CG2 4Å; I604-V616 HydrophobicContact CG1-CG1 4.4Å; I604-V616 HydrophobicContact CG1-CG2 3.71Å; L608-V616 HydrophobicContact CD2-CG2 3.99Å; L614-V616 HydrophobicContact CD2-CG2 4.15Å; V616-F618 HydrophobicContact CB-CE2 4.08Å; V616-F618 HydrophobicContact CG1-CD2 4.33Å; V616-F618 HydrophobicContact CG1-CE2 3.66Å; V616-F618 HydrophobicContact CG1-CZ 3.9Å; V616-I637 HydrophobicContact CB-CD1 4.24Å; V616-I637 HydrophobicContact CB-CG2 4.49Å; V616-I637 HydrophobicContact CG1-CD1 4.03Å; V616-I637 HydrophobicContact CG2-CD1 4.16Å; V616-I637 HydrophobicContact CG2-CG2 3.99Å; V616-R641 PolarHBondContact N-O 3.43Å; V616-I642 WeakPolarHBondContact O-CA 3.25Å; V616-V643 PolarHBondContact O-N 3.41Å
617	G	98.8	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.2	176.2	0	0	0	0	0	111.5	H593 R594 F597	H593-G617 WeakPolarHBondContact NE2-CA 3.25Å; R594-G617 PolarHBondContact O-N 2.73Å; F597-G617 PolarHBondContact N-O 3.43Å
618	F	98.8	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.1	170.2	-74.3	-75.8	0	0	0	110.9	F597 V616 I622 A630 A633 V634 I637 I642 V643 E645 T672 L676	F597-F618 HydrophobicContact CB-CE1 4.3Å; F597-F618 HydrophobicContact CB-CZ 4.44Å; F597-F618 AromaticContact CD1-CE1 3.99Å; F597-F618 HydrophobicContact CD1-CE1 3.99Å; F597-F618 AromaticContact CD1-CZ 3.89Å; F597-F618 HydrophobicContact CD1-CZ 3.89Å; F597-F618 WeakPolarHBondContact O-CE1 3.46Å; V616-F618 HydrophobicContact CB-CE2 4.08Å; V616-F618 HydrophobicContact CG1-CD2 4.33Å; V616-F618 HydrophobicContact CG1-CE2 3.66Å; V616-F618 HydrophobicContact CG1-CZ 3.9Å; F618-I622 HydrophobicContact CB-CG2 4.35Å; F618-I622 HydrophobicContact CD1-CG2 3.74Å; F618-I622 HydrophobicContact CG-CG2 4.37Å; F618-A630 HydrophobicContact CE1-CB 4.3Å; F618-A633 HydrophobicContact CZ-CB 4.47Å; F618-V634 HydrophobicContact CD1-CG2 3.67Å; F618-V634 HydrophobicContact CD2-CG2 3.83Å; F618-V634 HydrophobicContact CE1-CG2 3.55Å; F618-V634 HydrophobicContact CE2-CG2 3.71Å; F618-V634 HydrophobicContact CG-CG2 3.8Å; F618-V634 HydrophobicContact CZ-CG2 3.56Å; F618-I637 HydrophobicContact CE2-CD1 3.67Å; F618-I637 HydrophobicContact CZ-CD1 3.53Å; F618-I642 HydrophobicContact CD2-CG1 4.37Å; F618-I642 HydrophobicContact CD2-CG2 4.1Å; F618-I642 HydrophobicContact CE2-CD1 4.34Å; F618-I642 HydrophobicContact CE2-CG1 4.21Å; F618-V643 PolarHBondContact N-O 2.97Å; F618-E645 VanDerWaalsContact C-CG 3.49Å; F618-E645 PolarHBondContact N-OE1 3.31Å; F618-E645 VanDerWaalsContact O-CG 3.29Å; F618-E645 WeakPolarHBondContact O-CG 3.25Å; F618-E645 PolarHBondContact O-N 2.59Å; F618-T672 VanDerWaalsContact O-CG2 3.29Å; F618-T672 WeakPolarHBondContact O-CG2 3.38Å; F618-L676 HydrophobicContact CB-CD2 4.45Å
619	T	98.5	Very high	97.8	Very high	4 Å²	4	50 Å²	50	3%	0.025	24%	0.235	C	C	.	.			trans	-90.1	171.6	172.7	72.5	0	0	0	0	111	C596 L621 I622 E645 D647 F651	C596-T619 HydrophobicContact CB-CG2 4.07Å; T619-L621 PolarHBondContact O-N 3.29Å; T619-L621 VanDerWaalsContact OG1-CB 3.31Å; T619-L621 WeakPolarHBondContact OG1-CB 3.4Å; T619-L621 PolarHBondContact OG1-N 3.37Å; T619-I622 PolarHBondContact O-N 3.1Å; T619-E645 WeakPolarHBondContact CA-O 3.49Å; T619-E645 HydrophobicContact CG2-CG 3.92Å; T619-E645 WeakPolarHBondContact CG2-OE1 3.49Å; T619-D647 HydrophobicContact CG2-CB 3.53Å; T619-F651 HydrophobicContact CG2-CD2 3.96Å; T619-F651 HydrophobicContact CG2-CE2 4.26Å; T619-F651 WeakPolarHBondContact OG1-CD2 3.13Å; T619-F651 WeakPolarHBondContact OG1-CG 3.45Å
620	A	97.4	Very high	97.7	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-62.7	1.6	174.2	0	0	0	0	0	114.5	I622 T623 P653 T672	A620-I622 PolarHBondContact O-N 3.09Å; A620-T623 HydrophobicContact CB-CG2 4.32Å; A620-T623 WeakPolarHBondContact O-CB 3.41Å; A620-T623 WeakPolarHBondContact O-CG2 3.38Å; A620-T623 PolarHBondContact O-N 3.24Å; A620-T623 PolarHBondContact O-OG1 3.1Å; A620-P653 HydrophobicContact CB-CB 3.86Å; A620-P653 HydrophobicContact CB-CG 3.71Å; A620-T672 WeakPolarHBondContact CA-OG1 3.39Å; A620-T672 PolarHBondContact N-OG1 3.49Å
621	L	97.7	Very high	97.7	Very high	37 Å²	37	44 Å²	44	19%	0.194	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-48.5	-37.5	163	179.3	59.8	0	0	0	112.2	T598 T619 T623 Y624 A627 F651	T598-L621 HydrophobicContact CG2-CD2 3.52Å; T619-L621 PolarHBondContact O-N 3.29Å; T619-L621 VanDerWaalsContact OG1-CB 3.31Å; T619-L621 WeakPolarHBondContact OG1-CB 3.4Å; T619-L621 PolarHBondContact OG1-N 3.37Å; L621-T623 PolarHBondContact O-N 3.34Å; L621-T623 VanDerWaalsContact O-N 3.13Å; L621-Y624 WeakPolarHBondContact O-CB 3.14Å; L621-Y624 PolarHBondContact O-N 3.34Å; L621-A627 HydrophobicContact CD1-CB 3.99Å; L621-A627 HydrophobicContact CD2-CB 4.46Å; L621-A627 HydrophobicContact CG-CB 3.83Å; L621-F651 HydrophobicContact CB-CD1 3.63Å; L621-F651 HydrophobicContact CB-CE1 3.91Å; L621-F651 HydrophobicContact CB-CG 4.26Å; L621-F651 HydrophobicContact CD1-CD1 4Å; L621-F651 HydrophobicContact CD1-CE1 3.91Å; L621-F651 HydrophobicContact CD2-CE1 3.93Å; L621-F651 HydrophobicContact CD2-CZ 4.48Å; L621-F651 HydrophobicContact CG-CD1 4.23Å; L621-F651 HydrophobicContact CG-CE1 4.12Å
622	I	97.9	Very high	97.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.2	-179.1	64.2	172.9	0	0	0	112.5	F618 T619 A620 Y624 A630 R631 V634 T672 E675 L676 L679	F618-I622 HydrophobicContact CB-CG2 4.35Å; F618-I622 HydrophobicContact CD1-CG2 3.74Å; F618-I622 HydrophobicContact CG-CG2 4.37Å; T619-I622 PolarHBondContact O-N 3.1Å; A620-I622 PolarHBondContact O-N 3.09Å; I622-Y624 PolarHBondContact O-N 2.72Å; I622-Y624 VanDerWaalsContact O-N 3.15Å; I622-A630 HydrophobicContact CG2-CB 4.35Å; I622-R631 HydrophobicContact CB-CG 4.28Å; I622-R631 VanDerWaalsContact O-CD 3.3Å; I622-R631 WeakPolarHBondContact O-CD 3.32Å; I622-R631 WeakPolarHBondContact O-CG 2.99Å; I622-R631 PolarHBondContact O-NH1 2.96Å; I622-V634 HydrophobicContact CG2-CG2 4.16Å; I622-T672 HydrophobicContact CD1-CG2 3.83Å; I622-T672 HydrophobicContact CG1-CG2 4.31Å; I622-E675 HydrophobicContact CB-CG 4.45Å; I622-E675 HydrophobicContact CD1-CB 4.04Å; I622-E675 HydrophobicContact CD1-CG 4.21Å; I622-E675 HydrophobicContact CG1-CB 4.09Å; I622-E675 HydrophobicContact CG1-CG 3.98Å; I622-L676 HydrophobicContact CD1-CD2 3.61Å; I622-L676 HydrophobicContact CD1-CG 3.73Å; I622-L679 HydrophobicContact CB-CD1 4.28Å; I622-L679 HydrophobicContact CD1-CD1 4.21Å
623	T	97.1	Very high	97.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.7	-16.7	176	69.7	0	0	0	0	113.7	A620 L621 R654 H671 E675	A620-T623 HydrophobicContact CB-CG2 4.32Å; A620-T623 WeakPolarHBondContact O-CB 3.41Å; A620-T623 WeakPolarHBondContact O-CG2 3.38Å; A620-T623 PolarHBondContact O-N 3.24Å; A620-T623 PolarHBondContact O-OG1 3.1Å; L621-T623 PolarHBondContact O-N 3.34Å; L621-T623 VanDerWaalsContact O-N 3.13Å; T623-R654 VanDerWaalsContact O-CD 3.22Å; T623-R654 WeakPolarHBondContact O-CD 2.9Å; T623-R654 WeakPolarHBondContact OG1-CB 3.48Å; T623-R654 PolarHBondContact OG1-N 2.88Å; T623-R654 VanDerWaalsContact OG1-N 3.11Å; T623-H671 WeakPolarHBondContact CG2-O 3.4Å; T623-E675 WeakPolarHBondContact CA-OE2 3.27Å; T623-E675 HydrophobicContact CG2-CB 4.14Å; T623-E675 HydrophobicContact CG2-CG 4.38Å
624	Y	96.7	Very high	97.7	Very high	90 Å²	90	42.1 Å²	42.1	35%	0.353	19%	0.187	S	C	.	.	S	Bend	trans	-89	116.2	175.8	-66.2	-86.4	0	0	0	110.9	L621 I622 R626 A627 L652 R654	L621-Y624 WeakPolarHBondContact O-CB 3.14Å; L621-Y624 PolarHBondContact O-N 3.34Å; I622-Y624 PolarHBondContact O-N 2.72Å; I622-Y624 VanDerWaalsContact O-N 3.15Å; Y624-R626 PolarHBondContact O-N 2.73Å; Y624-A627 WeakPolarHBondContact O-CB 3.18Å; Y624-A627 PolarHBondContact O-N 3.1Å; Y624-L652 PolarHBondContact OH-O 2.9Å; Y624-R654 HydrophobicContact CD1-CB 4.12Å; Y624-R654 HydrophobicContact CD1-CG 4.24Å; Y624-R654 HydrophobicContact CD2-CB 4.48Å; Y624-R654 HydrophobicContact CE1-CB 3.87Å; Y624-R654 HydrophobicContact CE1-CG 4.08Å; Y624-R654 HydrophobicContact CE2-CB 4.27Å; Y624-R654 HydrophobicContact CG-CB 4.43Å
625	T	93.6	Very high	97.7	Very high	86 Å²	86	47.2 Å²	47.2	53%	0.528	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-3.5	177.3	56.7	0	0	0	0	115.2
626	R	96.3	Very high	97.7	Very high	237 Å²	237	51.3 Å²	51.3	89%	0.894	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-22.9	171.3	-66.7	-177.7	179.4	169.3	-0.3	113.2	Y624 R628	Y624-R626 PolarHBondContact O-N 2.73Å; R626-R628 PolarHBondContact O-N 3.37Å
627	A	96.7	Very high	97.7	Very high	18 Å²	18	51.3 Å²	51.3	15%	0.149	23%	0.227	C	C	.	.			trans	-77.6	57.2	177.8	0	0	0	0	0	111.1	L621 Y624 E629 R631	L621-A627 HydrophobicContact CD1-CB 3.99Å; L621-A627 HydrophobicContact CD2-CB 4.46Å; L621-A627 HydrophobicContact CG-CB 3.83Å; Y624-A627 WeakPolarHBondContact O-CB 3.18Å; Y624-A627 PolarHBondContact O-N 3.1Å; A627-E629 PolarHBondContact O-N 3.39Å; A627-R631 WeakPolarHBondContact O-CB 3.27Å; A627-R631 VanDerWaalsContact O-CG 3.22Å; A627-R631 WeakPolarHBondContact O-CG 3.29Å; A627-R631 PolarHBondContact O-N 3Å
628	R	97.5	Very high	97.7	Very high	181 Å²	181	54.2 Å²	54.2	68%	0.683	25%	0.245	S	C	*	.	H	α-helix	trans	-59.4	-50	-170.9	-68.6	-174.4	174.8	-149.1	-2.4	112.1	R626 A630 R631 D632	R626-R628 PolarHBondContact O-N 3.37Å; R628-A630 PolarHBondContact O-N 3.09Å; R628-R631 CarbonylContact O-C 3.56Å; R628-R631 PolarHBondContact O-N 3.11Å; R628-R631 VanDerWaalsContact O-N 3.16Å; R628-D632 VanDerWaalsContact O-CB 3.31Å; R628-D632 WeakPolarHBondContact O-CB 3.18Å; R628-D632 PolarHBondContact O-N 3.31Å
629	E	97.7	Very high	97.7	Very high	114 Å²	114	55.2 Å²	55.2	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-51.4	-175.9	-60.9	-177.8	172.3	0	0	111.9	N599 A627 R631 D632 A633	N599-E629 CarbonylContact O-C 3.56Å; N599-E629 VanDerWaalsContact O-C 3.27Å; A627-E629 PolarHBondContact O-N 3.39Å; E629-R631 PolarHBondContact O-N 3.39Å; E629-D632 PolarHBondContact O-N 2.76Å; E629-A633 WeakPolarHBondContact O-CB 3.4Å; E629-A633 PolarHBondContact O-N 3.29Å
630	A	97.7	Very high	97.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-56.6	-47	172.9	0	0	0	0	0	112.9	T598 N599 F618 I622 R628 D632 A633 V634	T598-A630 PolarHBondContact O-N 2.85Å; N599-A630 PolarHBondContact O-N 3.38Å; F618-A630 HydrophobicContact CE1-CB 4.3Å; I622-A630 HydrophobicContact CG2-CB 4.35Å; R628-A630 PolarHBondContact O-N 3.09Å; A630-D632 VanDerWaalsContact C-N 3.33Å; A630-D632 PolarHBondContact O-N 3.45Å; A630-A633 WeakPolarHBondContact O-CB 3.35Å; A630-A633 PolarHBondContact O-N 3.24Å; A630-V634 WeakPolarHBondContact O-CG2 3.45Å; A630-V634 PolarHBondContact O-N 3.32Å
631	R	98.4	Very high	97.7	Very high	18 Å²	18	61 Å²	61	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-35.8	178.6	-70.7	175.3	71	105.3	10	112.4	I622 A627 R628 E629 R635 E675 L679	I622-R631 HydrophobicContact CB-CG 4.28Å; I622-R631 VanDerWaalsContact O-CD 3.3Å; I622-R631 WeakPolarHBondContact O-CD 3.32Å; I622-R631 WeakPolarHBondContact O-CG 2.99Å; I622-R631 PolarHBondContact O-NH1 2.96Å; A627-R631 WeakPolarHBondContact O-CB 3.27Å; A627-R631 VanDerWaalsContact O-CG 3.22Å; A627-R631 WeakPolarHBondContact O-CG 3.29Å; A627-R631 PolarHBondContact O-N 3Å; R628-R631 CarbonylContact O-C 3.56Å; R628-R631 PolarHBondContact O-N 3.11Å; R628-R631 VanDerWaalsContact O-N 3.16Å; E629-R631 PolarHBondContact O-N 3.39Å; R631-R635 VanDerWaalsContact C-NH1 3.31Å; R631-R635 PolarHBondContact O-NH1 2.96Å; R631-E675 IonicContact CZ-OE1 2.62Å; R631-E675 IonicContact NH1-OE1 2.74Å; R631-E675 PolarHBondContact NH1-OE1 3.37Å; R631-E675 IonicContact NH1-OE2 3.89Å; R631-E675 IonicContact NH2-OE1 3.75Å; R631-E675 PolarHBondContact NH2-OE1 2.81Å; R631-L679 HydrophobicContact CB-CD1 4.25Å; R631-L679 HydrophobicContact CB-CD2 3.94Å; R631-L679 HydrophobicContact CG-CD1 4.09Å; R631-L679 HydrophobicContact CG-CD2 4.3Å
632	D	98.3	Very high	97.8	Very high	74 Å²	74	59.3 Å²	59.3	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-77.5	-28.5	178.5	-61.9	-20.9	0	0	0	110.6	R628 E629 A630 R635 Q636	R628-D632 VanDerWaalsContact O-CB 3.31Å; R628-D632 WeakPolarHBondContact O-CB 3.18Å; R628-D632 PolarHBondContact O-N 3.31Å; E629-D632 PolarHBondContact O-N 2.76Å; A630-D632 VanDerWaalsContact C-N 3.33Å; A630-D632 PolarHBondContact O-N 3.45Å; D632-R635 IonicContact OD1-CZ 3.96Å; D632-R635 IonicContact OD1-NH1 2.64Å; D632-R635 PolarHBondContact OD1-NH1 3.03Å; D632-R635 IonicContact OD1-NH2 3.78Å; D632-Q636 PolarHBondContact O-NE2 3.38Å
633	A	98.5	Very high	97.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.1	-45.4	169.1	0	0	0	0	0	112.8	F597 F618 E629 A630 R635 Q636 I637	F597-A633 HydrophobicContact CD1-CB 4.34Å; F597-A633 HydrophobicContact CE1-CB 3.82Å; F618-A633 HydrophobicContact CZ-CB 4.47Å; E629-A633 WeakPolarHBondContact O-CB 3.4Å; E629-A633 PolarHBondContact O-N 3.29Å; A630-A633 WeakPolarHBondContact O-CB 3.35Å; A630-A633 PolarHBondContact O-N 3.24Å; A633-R635 PolarHBondContact O-N 3.42Å; A633-R635 VanDerWaalsContact O-N 3.12Å; A633-Q636 PolarHBondContact O-N 2.53Å; A633-I637 HydrophobicContact CB-CD1 4.06Å; A633-I637 WeakPolarHBondContact O-CD1 3.09Å; A633-I637 VanDerWaalsContact O-CG1 3.3Å; A633-I637 WeakPolarHBondContact O-CG1 3.45Å; A633-I637 PolarHBondContact O-N 3.49Å
634	V	98.5	Very high	97.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-49.6	-39.7	174.2	165.9	0	0	0	0	111.8	F618 I622 A630 Q636 I642 L676 L679 K680	F618-V634 HydrophobicContact CD1-CG2 3.67Å; F618-V634 HydrophobicContact CD2-CG2 3.83Å; F618-V634 HydrophobicContact CE1-CG2 3.55Å; F618-V634 HydrophobicContact CE2-CG2 3.71Å; F618-V634 HydrophobicContact CG-CG2 3.8Å; F618-V634 HydrophobicContact CZ-CG2 3.56Å; I622-V634 HydrophobicContact CG2-CG2 4.16Å; A630-V634 WeakPolarHBondContact O-CG2 3.45Å; A630-V634 PolarHBondContact O-N 3.32Å; V634-Q636 PolarHBondContact O-N 3.45Å; V634-I642 HydrophobicContact CG1-CD1 4.49Å; V634-L676 HydrophobicContact CB-CD2 4.46Å; V634-L676 HydrophobicContact CG1-CD2 3.6Å; V634-L676 HydrophobicContact CG2-CD2 3.9Å; V634-L679 HydrophobicContact CB-CB 4.49Å; V634-L679 HydrophobicContact CB-CD1 4.02Å; V634-L679 HydrophobicContact CG1-CB 3.64Å; V634-L679 HydrophobicContact CG1-CD1 3.78Å; V634-L679 HydrophobicContact CG1-CG 4.33Å; V634-L679 HydrophobicContact CG2-CD1 4.23Å; V634-K680 WeakPolarHBondContact O-CE 3.47Å; V634-K680 PolarHBondContact O-NZ 3.44Å
635	R	98.6	Very high	97.9	Very high	108 Å²	108	55 Å²	55	41%	0.408	25%	0.252	S	S	.	.	H	α-helix	trans	-65.3	-40.1	179.5	-62.2	-166.4	-168.7	88.7	-31.2	112.3	R631 D632 A633 L679 K680	R631-R635 VanDerWaalsContact C-NH1 3.31Å; R631-R635 PolarHBondContact O-NH1 2.96Å; D632-R635 IonicContact OD1-CZ 3.96Å; D632-R635 IonicContact OD1-NH1 2.64Å; D632-R635 PolarHBondContact OD1-NH1 3.03Å; D632-R635 IonicContact OD1-NH2 3.78Å; A633-R635 PolarHBondContact O-N 3.42Å; A633-R635 VanDerWaalsContact O-N 3.12Å; R635-L679 HydrophobicContact CG-CB 4.47Å; R635-L679 WeakPolarHBondContact CG-O 3.34Å; R635-K680 PolarHBondContact O-NZ 3.21Å
636	Q	98.5	Very high	98.2	Very high	106 Å²	106	51 Å²	51	50%	0.495	23%	0.228	S	C	.	.	H	α-helix	trans	-84.6	-36.9	-174.1	-70.3	166.4	96.7	0	0	113.8	Y601 D632 A633 V634	Y601-Q636 HydrophobicContact CD1-CB 4.05Å; Y601-Q636 HydrophobicContact CD1-CG 4.45Å; Y601-Q636 HydrophobicContact CD2-CB 3.48Å; Y601-Q636 VanDerWaalsContact CD2-CB 3.48Å; Y601-Q636 HydrophobicContact CE1-CB 4.41Å; Y601-Q636 HydrophobicContact CE2-CB 3.89Å; Y601-Q636 HydrophobicContact CG-CB 3.59Å; Y601-Q636 HydrophobicContact CG-CG 4.25Å; D632-Q636 PolarHBondContact O-NE2 3.38Å; A633-Q636 PolarHBondContact O-N 2.53Å; V634-Q636 PolarHBondContact O-N 3.45Å
637	I	98.7	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-68.3	126.9	178.6	-58.2	156.9	0	0	0	109.4	Y601 I604 L608 V616 F618 A633 R641 I642 K680	Y601-I637 HydrophobicContact CD2-CG1 3.93Å; Y601-I637 HydrophobicContact CE2-CG1 4.16Å; I604-I637 HydrophobicContact CG2-CD1 4.07Å; I604-I637 HydrophobicContact CG2-CG1 4.11Å; L608-I637 HydrophobicContact CD1-CG1 4.14Å; L608-I637 HydrophobicContact CD1-CG2 4.09Å; V616-I637 HydrophobicContact CB-CD1 4.24Å; V616-I637 HydrophobicContact CB-CG2 4.49Å; V616-I637 HydrophobicContact CG1-CD1 4.03Å; V616-I637 HydrophobicContact CG2-CD1 4.16Å; V616-I637 HydrophobicContact CG2-CG2 3.99Å; F618-I637 HydrophobicContact CE2-CD1 3.67Å; F618-I637 HydrophobicContact CZ-CD1 3.53Å; A633-I637 HydrophobicContact CB-CD1 4.06Å; A633-I637 WeakPolarHBondContact O-CD1 3.09Å; A633-I637 VanDerWaalsContact O-CG1 3.3Å; A633-I637 WeakPolarHBondContact O-CG1 3.45Å; A633-I637 PolarHBondContact O-N 3.49Å; I637-R641 HydrophobicContact CG2-CB 4.02Å; I637-I642 HydrophobicContact CB-CD1 4.38Å; I637-I642 HydrophobicContact CB-CG1 4.38Å; I637-I642 HydrophobicContact CG2-CD1 4.41Å; I637-I642 HydrophobicContact CG2-CG1 3.89Å; I637-K680 WeakPolarHBondContact O-CE 3.45Å; I637-K680 PolarHBondContact O-NZ 2.95Å
638	P	98.4	Very high	98.3	Very high	61 Å²	61	39.4 Å²	39.4	40%	0.396	18%	0.181	S	C	.	.			trans	-55	146	177.9	-27.3	36.3	0	0	0	113.7	D640 R641	P638-D640 VanDerWaalsContact C-N 3.34Å; P638-D640 WeakPolarHBondContact CB-OD1 3.38Å; P638-D640 PolarHBondContact O-N 3.13Å; P638-R641 HydrophobicContact CB-CB 4.38Å; P638-R641 HydrophobicContact CB-CG 3.98Å; P638-R641 HydrophobicContact CG-CG 4.38Å; P638-R641 CarbonylContact O-C 3.6Å; P638-R641 WeakPolarHBondContact O-CA 3.32Å; P638-R641 WeakPolarHBondContact O-CB 3.05Å; P638-R641 PolarHBondContact O-N 3.38Å
639	L	98.6	Very high	98.3	Very high	22 Å²	22	31.1 Å²	31.1	12%	0.115	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-68.6	-32.7	-172.8	-179.2	60.1	0	0	0	112.5	R641 I642 K680 E682 V687 T690 N694	L639-R641 PolarHBondContact O-N 3.12Å; L639-R641 VanDerWaalsContact O-N 3.17Å; L639-I642 PolarHBondContact O-N 3.13Å; L639-K680 HydrophobicContact CD1-CG 4.42Å; L639-E682 HydrophobicContact CD2-CG 4.33Å; L639-V687 HydrophobicContact CD1-CG1 4.46Å; L639-V687 HydrophobicContact CD1-CG2 4.37Å; L639-V687 HydrophobicContact CD2-CG2 3.96Å; L639-T690 HydrophobicContact CB-CG2 4.5Å; L639-T690 HydrophobicContact CD2-CG2 4.32Å; L639-T690 HydrophobicContact CG-CG2 3.85Å; L639-N694 PolarHBondContact O-ND2 2.6Å
640	D	98.3	Very high	98.3	Very high	90 Å²	90	29.9 Å²	29.9	48%	0.481	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-65.3	-4.4	168.1	63.2	-51.3	0	0	0	113.6	Y615 P638 N694	Y615-D640 WeakPolarHBondContact CE1-O 3.34Å; P638-D640 VanDerWaalsContact C-N 3.34Å; P638-D640 WeakPolarHBondContact CB-OD1 3.38Å; P638-D640 PolarHBondContact O-N 3.13Å; D640-N694 WeakPolarHBondContact CA-ND2 3.39Å; D640-N694 WeakPolarHBondContact CA-OD1 3.4Å; D640-N694 PolarHBondContact O-OD1 3.44Å
641	R	98.5	Very high	98.2	Very high	38 Å²	38	32.7 Å²	32.7	14%	0.143	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-116	12.3	176.7	-55.6	-65.4	-62.2	-89.7	-1.8	112.8	L608 F611 P612 L614 Y615 V616 I637 P638 L639	L608-R641 HydrophobicContact CD2-CB 4.28Å; F611-R641 PolarHBondContact O-NH2 3.14Å; P612-R641 PolarHBondContact O-NE 2.91Å; P612-R641 PolarHBondContact O-NH1 2.97Å; P612-R641 PolarHBondContact O-NH2 3.41Å; L614-R641 VanDerWaalsContact O-CZ 3.24Å; L614-R641 PolarHBondContact O-NE 2.93Å; L614-R641 PolarHBondContact O-NH2 2.73Å; Y615-R641 CarbonylContact C-O 3.56Å; Y615-R641 WeakPolarHBondContact CA-O 3.41Å; V616-R641 PolarHBondContact N-O 3.43Å; I637-R641 HydrophobicContact CG2-CB 4.02Å; P638-R641 HydrophobicContact CB-CB 4.38Å; P638-R641 HydrophobicContact CB-CG 3.98Å; P638-R641 HydrophobicContact CG-CG 4.38Å; P638-R641 CarbonylContact O-C 3.6Å; P638-R641 WeakPolarHBondContact O-CA 3.32Å; P638-R641 WeakPolarHBondContact O-CB 3.05Å; P638-R641 PolarHBondContact O-N 3.38Å; L639-R641 PolarHBondContact O-N 3.12Å; L639-R641 VanDerWaalsContact O-N 3.17Å
642	I	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139	178.9	-70.1	174.1	0	0	0	110.8	V616 F618 V634 I637 L639 L676 N694	V616-I642 WeakPolarHBondContact O-CA 3.25Å; F618-I642 HydrophobicContact CD2-CG1 4.37Å; F618-I642 HydrophobicContact CD2-CG2 4.1Å; F618-I642 HydrophobicContact CE2-CD1 4.34Å; F618-I642 HydrophobicContact CE2-CG1 4.21Å; V634-I642 HydrophobicContact CG1-CD1 4.49Å; I637-I642 HydrophobicContact CB-CD1 4.38Å; I637-I642 HydrophobicContact CB-CG1 4.38Å; I637-I642 HydrophobicContact CG2-CD1 4.41Å; I637-I642 HydrophobicContact CG2-CG1 3.89Å; L639-I642 PolarHBondContact O-N 3.13Å; I642-L676 HydrophobicContact CG2-CD1 3.99Å; I642-L676 HydrophobicContact CG2-CD2 4.26Å; I642-N694 PolarHBondContact O-ND2 2.69Å
643	V	98.7	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.9	166.1	-71.2	0	0	0	0	110.8	T437 H593 Y615 V616 F618 N694 L698	T437-V643 HydrophobicContact CG2-CB 4.19Å; H593-V643 WeakPolarHBondContact CD2-CG2 3.3Å; H593-V643 VanDerWaalsContact NE2-CG2 3.33Å; H593-V643 WeakPolarHBondContact NE2-CG2 3.31Å; Y615-V643 HydrophobicContact CD1-CG1 4.18Å; Y615-V643 HydrophobicContact CG-CG1 4.27Å; V616-V643 PolarHBondContact O-N 3.41Å; F618-V643 PolarHBondContact N-O 2.97Å; V643-N694 HydrophobicContact CG1-CB 3.86Å; V643-L698 HydrophobicContact CG1-CD2 4.05Å; V643-L698 HydrophobicContact CG2-CD2 4.36Å
644	L	98.2	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.4	-170.2	179.5	157.7	0	0	0	110.9	F434 T437 T672 L673 L676 I691	F434-L644 HydrophobicContact CD2-CD2 3.68Å; F434-L644 HydrophobicContact CE2-CD2 4.09Å; F434-L644 HydrophobicContact CG-CD2 4.45Å; T437-L644 PolarHBondContact N-O 2.93Å; T437-L644 PolarHBondContact OG1-O 2.91Å; L644-T672 HydrophobicContact CD1-CG2 4.39Å; L644-T672 HydrophobicContact CG-CG2 4.09Å; L644-L673 HydrophobicContact CD1-CB 3.63Å; L644-L673 HydrophobicContact CD1-CD1 4.07Å; L644-L673 HydrophobicContact CD1-CG 4.18Å; L644-L676 HydrophobicContact CD1-CD1 4.5Å; L644-I691 HydrophobicContact CB-CD1 4.31Å; L644-I691 HydrophobicContact CB-CG2 3.67Å; L644-I691 HydrophobicContact CD1-CD1 4.37Å
645	E	98.5	Very high	97.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.			trans	-137	165.4	-178.9	46.6	173.8	-162.2	0	0	111	D436 H438 H593 H595 C596 F618 T619 T672	D436-E645 WeakPolarHBondContact OD1-CA 3.39Å; H438-E645 HydrophobicContact CB-CB 3.82Å; H438-E645 WeakPolarHBondContact CB-OE2 3.45Å; H438-E645 IonicContact CG-OE2 3.48Å; H593-E645 IonicContact CE1-OE2 3.94Å; H593-E645 PolarHBondContact CE1-OE2 3.37Å; H593-E645 IonicContact NE2-OE2 3.68Å; H595-E645 IonicContact CE1-OE2 2.67Å; H595-E645 IonicContact CG-OE2 3.47Å; H595-E645 IonicContact ND1-OE1 3.08Å; H595-E645 IonicContact ND1-OE2 3.52Å; H595-E645 PolarHBondContact ND1-OE2 3.03Å; C596-E645 WeakPolarHBondContact CA-OE1 3.5Å; C596-E645 PolarHBondContact N-OE1 3.41Å; F618-E645 VanDerWaalsContact C-CG 3.49Å; F618-E645 PolarHBondContact N-OE1 3.31Å; F618-E645 VanDerWaalsContact O-CG 3.29Å; F618-E645 WeakPolarHBondContact O-CG 3.25Å; F618-E645 PolarHBondContact O-N 2.59Å; T619-E645 WeakPolarHBondContact CA-O 3.49Å; T619-E645 HydrophobicContact CG2-CG 3.92Å; T619-E645 WeakPolarHBondContact CG2-OE1 3.49Å; E645-T672 PolarHBondContact O-OG1 2.93Å
646	T	98.4	Very high	97.3	Very high	3 Å²	3	37 Å²	37	2%	0.018	17%	0.173	C	C	.	.			trans	-103.7	-28.7	166.8	63.5	0	0	0	0	113.2	D436 A648	D436-T646 PolarHBondContact OD1-N 3.23Å; D436-T646 WeakPolarHBondContact OD2-CB 3.23Å; D436-T646 WeakPolarHBondContact OD2-CG2 3.29Å; D436-T646 PolarHBondContact OD2-OG1 3.39Å; T646-A648 PolarHBondContact O-N 3.23Å; T646-A648 WeakPolarHBondContact OG1-CB 3.46Å; T646-A648 PolarHBondContact OG1-N 3Å
647	D	98.4	Very high	96.8	Very high	12 Å²	12	34 Å²	34	6%	0.064	17%	0.171	C	C	.	.			trans	48.7	36.2	-159.8	-178	35.5	0	0	0	111.4	H438 H440 H595 T619 Y650 F651	H438-D647 IonicContact CD2-OD1 2.8Å; H438-D647 VanDerWaalsContact O-CA 3.31Å; H438-D647 WeakPolarHBondContact O-CA 3.45Å; H438-D647 PolarHBondContact O-N 2.98Å; H440-D647 IonicContact CD2-OD1 3.48Å; H440-D647 IonicContact NE2-OD1 2.73Å; H440-D647 PolarHBondContact NE2-OD1 2.85Å; H595-D647 IonicContact CE1-OD1 3.1Å; T619-D647 HydrophobicContact CG2-CB 3.53Å; D647-Y650 WeakPolarHBondContact O-CA 3.47Å; D647-Y650 VanDerWaalsContact O-CB 3.29Å; D647-Y650 WeakPolarHBondContact O-CB 3.33Å; D647-Y650 VanDerWaalsContact O-CD2 3.3Å; D647-Y650 WeakPolarHBondContact O-CD2 3.47Å; D647-Y650 PolarHBondContact O-N 3.49Å; D647-Y650 WeakPolarHBondContact OD1-CD2 3.34Å; D647-Y650 WeakPolarHBondContact OD2-CB 3.32Å; D647-Y650 WeakPolarHBondContact OD2-CD2 3.08Å; D647-F651 HydrophobicContact CB-CD2 4.01Å; D647-F651 HydrophobicContact CB-CE2 4.35Å; D647-F651 WeakPolarHBondContact OD2-CD2 3.33Å; D647-F651 WeakPolarHBondContact OD2-CE2 3.5Å
648	A	98.1	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-62.1	132.3	179.3	0	0	0	0	0	110.4	C439 H440 T646 S664 H665	C439-A648 HydrophobicContact CB-CB 4.1Å; H440-A648 PolarHBondContact N-O 2.77Å; T646-A648 PolarHBondContact O-N 3.23Å; T646-A648 WeakPolarHBondContact OG1-CB 3.46Å; T646-A648 PolarHBondContact OG1-N 3Å; A648-S664 VanDerWaalsContact CA-OG 3.29Å; A648-S664 WeakPolarHBondContact CA-OG 3.28Å; A648-H665 VanDerWaalsContact CB-CA 3.5Å
649	P	97.6	Very high	95.8	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.039	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.1	16.6	20.2	36.5	-40.1	0	0	0	116.8	M443 L444 K447 F663 S664	M443-P649 HydrophobicContact CB-CG 4.15Å; L444-P649 HydrophobicContact CB-CB 4.11Å; L444-P649 HydrophobicContact CB-CG 4.45Å; L444-P649 HydrophobicContact CD1-CB 3.86Å; K447-P649 HydrophobicContact CD-CB 4.14Å; K447-P649 HydrophobicContact CD-CG 3.67Å; K447-P649 VanDerWaalsContact NZ-CG 3.27Å; P649-F663 HydrophobicContact CB-CB 3.86Å; P649-F663 HydrophobicContact CB-CD1 4.3Å; P649-F663 HydrophobicContact CB-CG 4.15Å; P649-S664 WeakPolarHBondContact CA-OG 3.31Å; P649-S664 PolarHBondContact O-OG 3.32Å
650	Y	96.5	Very high	95.3	Very high	89 Å²	89	45.1 Å²	45.1	35%	0.349	24%	0.241	S	C	.	.	S	Bend	trans	-94.9	165.8	177.4	-46.7	-74.4	0	0	0	112.1	M443 K447 D647 L652 S664	M443-Y650 WeakPolarHBondContact CE-OH 3.32Å; M443-Y650 HydrophobicContact SD-CE2 4.48Å; K447-Y650 PolarHBondContact NZ-OH 2.95Å; D647-Y650 WeakPolarHBondContact O-CA 3.47Å; D647-Y650 VanDerWaalsContact O-CB 3.29Å; D647-Y650 WeakPolarHBondContact O-CB 3.33Å; D647-Y650 VanDerWaalsContact O-CD2 3.3Å; D647-Y650 WeakPolarHBondContact O-CD2 3.47Å; D647-Y650 PolarHBondContact O-N 3.49Å; D647-Y650 WeakPolarHBondContact OD1-CD2 3.34Å; D647-Y650 WeakPolarHBondContact OD2-CB 3.32Å; D647-Y650 WeakPolarHBondContact OD2-CD2 3.08Å; Y650-L652 PolarHBondContact O-N 3.29Å; Y650-S664 PolarHBondContact N-OG 3.16Å; Y650-S664 WeakPolarHBondContact O-CB 3.29Å; Y650-S664 PolarHBondContact O-OG 3.02Å
651	F	95.8	Very high	94.8	Very high	59 Å²	59	41.1 Å²	41.1	26%	0.259	22%	0.22	S	C	.	.			trans	51.6	55.3	179.6	-49.9	-74.8	0	0	0	115.5	C596 T619 L621 D647	C596-F651 VanDerWaalsContact SG-CE2 3.54Å; T619-F651 HydrophobicContact CG2-CD2 3.96Å; T619-F651 HydrophobicContact CG2-CE2 4.26Å; T619-F651 WeakPolarHBondContact OG1-CD2 3.13Å; T619-F651 WeakPolarHBondContact OG1-CG 3.45Å; L621-F651 HydrophobicContact CB-CD1 3.63Å; L621-F651 HydrophobicContact CB-CE1 3.91Å; L621-F651 HydrophobicContact CB-CG 4.26Å; L621-F651 HydrophobicContact CD1-CD1 4Å; L621-F651 HydrophobicContact CD1-CE1 3.91Å; L621-F651 HydrophobicContact CD2-CE1 3.93Å; L621-F651 HydrophobicContact CD2-CZ 4.48Å; L621-F651 HydrophobicContact CG-CD1 4.23Å; L621-F651 HydrophobicContact CG-CE1 4.12Å; D647-F651 HydrophobicContact CB-CD2 4.01Å; D647-F651 HydrophobicContact CB-CE2 4.35Å; D647-F651 WeakPolarHBondContact OD2-CD2 3.33Å; D647-F651 WeakPolarHBondContact OD2-CE2 3.5Å
652	L	96.5	Very high	94.5	Very high	25 Å²	25	47.8 Å²	47.8	13%	0.131	25%	0.245	C	C	.	.			trans	-48.5	125.1	163.5	-178	72.3	0	0	0	109.4	Y624 Y650 V656 K658 M668	Y624-L652 PolarHBondContact OH-O 2.9Å; Y650-L652 PolarHBondContact O-N 3.29Å; L652-V656 HydrophobicContact CD1-CB 4.1Å; L652-V656 HydrophobicContact CD1-CG1 3.92Å; L652-V656 HydrophobicContact CG-CB 4.46Å; L652-K658 HydrophobicContact CD2-CG 3.86Å; L652-M668 HydrophobicContact CD1-CE 4.01Å; L652-M668 HydrophobicContact CD1-SD 3.78Å
653	P	95.6	Very high	94.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.013	25%	0.254	C	S	.	.			trans	-62.5	146.3	-176.6	-18.4	27.8	0	0	0	111.8	A620 Q655 V656 M668 H671	A620-P653 HydrophobicContact CB-CB 3.86Å; A620-P653 HydrophobicContact CB-CG 3.71Å; P653-Q655 PolarHBondContact O-N 3.43Å; P653-Q655 VanDerWaalsContact O-N 3.09Å; P653-V656 HydrophobicContact CB-CG2 4.06Å; P653-V656 HydrophobicContact CG-CG2 4Å; P653-V656 PolarHBondContact O-N 3.35Å; P653-M668 HydrophobicContact CG-CB 3.95Å; P653-M668 HydrophobicContact CG-SD 4.19Å; P653-H671 HydrophobicContact CB-CB 3.62Å; P653-H671 HydrophobicContact CG-CB 3.86Å
654	R	94.8	Very high	94.4	Very high	147 Å²	147	49.8 Å²	49.8	56%	0.555	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.4	-178.5	-179.4	-178.7	165.3	-138.6	-8.4	113.4	T623 Y624	T623-R654 VanDerWaalsContact O-CD 3.22Å; T623-R654 WeakPolarHBondContact O-CD 2.9Å; T623-R654 WeakPolarHBondContact OG1-CB 3.48Å; T623-R654 PolarHBondContact OG1-N 2.88Å; T623-R654 VanDerWaalsContact OG1-N 3.11Å; Y624-R654 HydrophobicContact CD1-CB 4.12Å; Y624-R654 HydrophobicContact CD1-CG 4.24Å; Y624-R654 HydrophobicContact CD2-CB 4.48Å; Y624-R654 HydrophobicContact CE1-CB 3.87Å; Y624-R654 HydrophobicContact CE1-CG 4.08Å; Y624-R654 HydrophobicContact CE2-CB 4.27Å; Y624-R654 HydrophobicContact CG-CB 4.43Å
655	Q	93.8	Very high	94.3	Very high	97 Å²	97	49.8 Å²	49.8	45%	0.453	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.2	179.8	-62.3	82.1	-12.2	0	0	112.8	P653	P653-Q655 PolarHBondContact O-N 3.43Å; P653-Q655 VanDerWaalsContact O-N 3.09Å
656	V	92.4	Very high	94.3	Very high	19 Å²	19	49.8 Å²	49.8	12%	0.115	25%	0.254	C	S	.	.	S	Bend	trans	-94.3	118.7	-172.9	-177.5	0	0	0	0	111	L652 P653 V660 M668 H671	L652-V656 HydrophobicContact CD1-CB 4.1Å; L652-V656 HydrophobicContact CD1-CG1 3.92Å; L652-V656 HydrophobicContact CG-CB 4.46Å; P653-V656 HydrophobicContact CB-CG2 4.06Å; P653-V656 HydrophobicContact CG-CG2 4Å; P653-V656 PolarHBondContact O-N 3.35Å; V656-V660 HydrophobicContact CG1-CB 4.05Å; V656-V660 HydrophobicContact CG1-CG1 4.44Å; V656-V660 HydrophobicContact CG1-CG2 4.49Å; V656-M668 HydrophobicContact CB-SD 4.37Å; V656-M668 HydrophobicContact CG1-CE 3.9Å; V656-M668 HydrophobicContact CG1-SD 4.09Å; V656-M668 HydrophobicContact CG2-SD 4.06Å; V656-H671 VanDerWaalsContact CG2-NE2 3.33Å; V656-H671 WeakPolarHBondContact CG2-NE2 3.3Å
657	G	89.1	Confident	94.3	Very high	45 Å²	45	49.7 Å²	49.7	46%	0.464	25%	0.253	S	S	.	.			trans	-70.3	138.5	172.7	0	0	0	0	0	112	G659 V660	G657-G659 PolarHBondContact O-N 3.2Å; G657-V660 WeakPolarHBondContact O-CB 3.3Å; G657-V660 PolarHBondContact O-N 3.4Å
658	K	88.2	Confident	94.2	Very high	168 Å²	168	49.1 Å²	49.1	73%	0.73	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-12.7	179.8	-68.1	-177.4	178.5	179.6	0	115.5	L652 C661	L652-K658 HydrophobicContact CD2-CG 3.86Å; K658-C661 CarbonylContact C-O 3.56Å; K658-C661 WeakPolarHBondContact CA-O 3.29Å; K658-C661 CarbonylContact O-C 3.56Å
659	G	86.9	Confident	94.2	Very high	84 Å²	84	49.1 Å²	49.1	87%	0.866	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-17.2	172.8	0	0	0	0	0	114.3	G657	G657-G659 PolarHBondContact O-N 3.2Å
660	V	88.3	Confident	94.2	Very high	64 Å²	64	49.7 Å²	49.7	39%	0.388	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-54.3	172.8	-178.1	0	0	0	0	109.4	Y461 V656 G657	Y461-V660 WeakPolarHBondContact CE1-O 3.32Å; V656-V660 HydrophobicContact CG1-CB 4.05Å; V656-V660 HydrophobicContact CG1-CG1 4.44Å; V656-V660 HydrophobicContact CG1-CG2 4.49Å; G657-V660 WeakPolarHBondContact O-CB 3.3Å; G657-V660 PolarHBondContact O-N 3.4Å
661	C	88.3	Confident	94.2	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.034	25%	0.246	C	C	.	.			trans	-148.4	149.6	162.9	-167.8	0	0	0	0	110.6	Y461 K658 F663 M668	Y461-C661 HydrophobicContact CD1-CB 4.02Å; Y461-C661 HydrophobicContact CE1-CB 3.7Å; Y461-C661 VanDerWaalsContact CE1-SG 3.56Å; K658-C661 CarbonylContact C-O 3.56Å; K658-C661 WeakPolarHBondContact CA-O 3.29Å; K658-C661 CarbonylContact O-C 3.56Å; C661-F663 VanDerWaalsContact CB-O 3.31Å; C661-F663 WeakPolarHBondContact CB-O 3.35Å; C661-F663 PolarHBondContact O-N 3.05Å; C661-F663 PolarHBondContact SG-O 3.35Å; C661-M668 HydrophobicContact CB-CE 3.85Å
662	R	92.3	Very high	94.4	Very high	179 Å²	179	44.7 Å²	44.7	68%	0.675	23%	0.233	S	C	*	.	S	Bend	trans	-68.9	-25.3	177.8	-179.5	177	174.7	-173.3	-0.2	112.7
663	F	96.6	Very high	94.4	Very high	41 Å²	41	43.6 Å²	43.6	18%	0.18	23%	0.228	C	C	.	.	S	Bend	trans	-129.9	164.8	-179.1	-55.9	-74.7	0	0	0	109.2	L444 K447 L448 P649 C661	L444-F663 HydrophobicContact CD1-CB 4.05Å; K447-F663 HydrophobicContact CB-CD2 4.21Å; K447-F663 HydrophobicContact CB-CE1 4.46Å; K447-F663 HydrophobicContact CB-CE2 3.7Å; K447-F663 HydrophobicContact CB-CZ 3.85Å; K447-F663 HydrophobicContact CD-CE1 4.2Å; K447-F663 HydrophobicContact CD-CZ 4.36Å; K447-F663 HydrophobicContact CG-CZ 4.49Å; K447-F663 WeakPolarHBondContact O-CE2 3.43Å; L448-F663 HydrophobicContact CD2-CD2 3.77Å; L448-F663 HydrophobicContact CD2-CE2 4.2Å; L448-F663 HydrophobicContact CG-CD2 4.05Å; P649-F663 HydrophobicContact CB-CB 3.86Å; P649-F663 HydrophobicContact CB-CD1 4.3Å; P649-F663 HydrophobicContact CB-CG 4.15Å; C661-F663 VanDerWaalsContact CB-O 3.31Å; C661-F663 WeakPolarHBondContact CB-O 3.35Å; C661-F663 PolarHBondContact O-N 3.05Å; C661-F663 PolarHBondContact SG-O 3.35Å
664	S	97.6	Very high	94.5	Very high	1 Å²	1	47 Å²	47	1%	0.007	24%	0.243	C	C	.	.			trans	-64.7	162.6	165.5	45.5	0	0	0	0	111.5	L444 A648 P649 Y650	L444-S664 VanDerWaalsContact CD1-O 3.28Å; L444-S664 WeakPolarHBondContact CD1-O 3.45Å; A648-S664 VanDerWaalsContact CA-OG 3.29Å; A648-S664 WeakPolarHBondContact CA-OG 3.28Å; P649-S664 WeakPolarHBondContact CA-OG 3.31Å; P649-S664 PolarHBondContact O-OG 3.32Å; Y650-S664 PolarHBondContact N-OG 3.16Å; Y650-S664 WeakPolarHBondContact O-CB 3.29Å; Y650-S664 PolarHBondContact O-OG 3.02Å
665	H	97.8	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.222	C	C	.	.			trans	-150.2	164.9	168.3	65.9	58.7	0	0	0	109.4	L444 F457 S464 F465 A648 G667 M668	L444-H665 HydrophobicContact CD2-CB 3.74Å; F457-H665 HydrophobicContact CE1-CB 3.66Å; F457-H665 AromaticContact CE1-CG 3.86Å; F457-H665 HydrophobicContact CZ-CB 3.8Å; S464-H665 PolarHBondContact O-CE1 2.89Å; S464-H665 VanDerWaalsContact O-CE1 3.26Å; S464-H665 PolarHBondContact OG-CE1 3.11Å; S464-H665 PolarHBondContact OG-NE2 2.91Å; F465-H665 AromaticContact CD2-CE1 3.55Å; F465-H665 AromaticContact CE2-CE1 3.39Å; F465-H665 WeakPolarHBondContact CE2-CE1 3.48Å; F465-H665 AromaticContact CE2-ND1 3.44Å; F465-H665 WeakPolarHBondContact CE2-ND1 3.49Å; F465-H665 AromaticContact CE2-NE2 3.99Å; F465-H665 AromaticContact CZ-CE1 3.95Å; F465-H665 AromaticContact CZ-ND1 3.56Å; A648-H665 VanDerWaalsContact CB-CA 3.5Å; H665-G667 VanDerWaalsContact C-N 3.34Å; H665-G667 PolarHBondContact ND1-N 3.29Å; H665-G667 PolarHBondContact O-N 2.89Å; H665-G667 VanDerWaalsContact O-N 3.13Å; H665-M668 VanDerWaalsContact O-CB 3.28Å; H665-M668 WeakPolarHBondContact O-CB 3.33Å; H665-M668 WeakPolarHBondContact O-CG 3.33Å; H665-M668 PolarHBondContact O-N 3.16Å
666	P	98.1	Very high	94.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-56.5	-37.6	-168.7	-32.7	39.9	0	0	0	116.7	D436 C439 L441 F469 C472 M668 G669	D436-P666 HydrophobicContact CB-CB 4Å; D436-P666 WeakPolarHBondContact OD2-CA 3.42Å; D436-P666 VanDerWaalsContact OD2-CB 3.28Å; D436-P666 WeakPolarHBondContact OD2-CB 2.89Å; C439-P666 HydrophobicContact CB-CG 3.92Å; C439-P666 WeakPolarHBondContact SG-CG 3.43Å; L441-P666 HydrophobicContact CD2-CG 4Å; F469-P666 HydrophobicContact CE2-CB 3.49Å; F469-P666 VanDerWaalsContact CE2-CB 3.49Å; F469-P666 HydrophobicContact CZ-CB 3.74Å; C472-P666 HydrophobicContact CB-CB 3.73Å; C472-P666 HydrophobicContact CB-CG 3.97Å; P666-M668 PolarHBondContact O-N 3.28Å; P666-G669 PolarHBondContact O-N 2.93Å
667	G	96.9	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-55.1	-21.1	173.6	0	0	0	0	0	115.7	S464 F465 H665 G669	S464-G667 CarbonylContact O-C 3.46Å; F465-G667 VanDerWaalsContact CE1-CA 3.46Å; H665-G667 VanDerWaalsContact C-N 3.34Å; H665-G667 PolarHBondContact ND1-N 3.29Å; H665-G667 PolarHBondContact O-N 2.89Å; H665-G667 VanDerWaalsContact O-N 3.13Å; G667-G669 PolarHBondContact O-N 2.85Å
668	M	97.8	Very high	95.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-76.6	-5.9	178	-60.2	-164.4	-172.5	0	0	114	L652 P653 V656 C661 H665 P666 I670 H671	L652-M668 HydrophobicContact CD1-CE 4.01Å; L652-M668 HydrophobicContact CD1-SD 3.78Å; P653-M668 HydrophobicContact CG-CB 3.95Å; P653-M668 HydrophobicContact CG-SD 4.19Å; V656-M668 HydrophobicContact CB-SD 4.37Å; V656-M668 HydrophobicContact CG1-CE 3.9Å; V656-M668 HydrophobicContact CG1-SD 4.09Å; V656-M668 HydrophobicContact CG2-SD 4.06Å; C661-M668 HydrophobicContact CB-CE 3.85Å; H665-M668 VanDerWaalsContact O-CB 3.28Å; H665-M668 WeakPolarHBondContact O-CB 3.33Å; H665-M668 WeakPolarHBondContact O-CG 3.33Å; H665-M668 PolarHBondContact O-N 3.16Å; P666-M668 PolarHBondContact O-N 3.28Å; M668-I670 PolarHBondContact O-N 2.96Å; M668-I670 VanDerWaalsContact O-N 3.1Å; M668-H671 PolarHBondContact O-CD2 3.09Å; M668-H671 PolarHBondContact O-N 3.28Å
669	G	97.6	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-56.1	-25.9	179.4	0	0	0	0	0	113.9	P666 G667 H671 T672 L673	P666-G669 PolarHBondContact O-N 2.93Å; G667-G669 PolarHBondContact O-N 2.85Å; G669-H671 PolarHBondContact O-N 3.42Å; G669-H671 VanDerWaalsContact O-N 3.12Å; G669-T672 WeakPolarHBondContact O-CA 3.21Å; G669-T672 WeakPolarHBondContact O-CB 3.33Å; G669-T672 PolarHBondContact O-N 2.93Å; G669-L673 PolarHBondContact O-N 3.06Å; G669-L673 VanDerWaalsContact O-N 3.16Å
670	I	97.3	Very high	96.6	Very high	18 Å²	18	33 Å²	33	9%	0.092	15%	0.145	C	C	.	.	H	α-helix	trans	-53.8	-31.1	173.4	-165.4	61.2	0	0	0	113.2	F434 M668 L673 H674	F434-I670 HydrophobicContact CD1-CD1 4.47Å; F434-I670 HydrophobicContact CE1-CB 3.9Å; F434-I670 HydrophobicContact CE1-CD1 4.2Å; F434-I670 HydrophobicContact CZ-CB 4.19Å; M668-I670 PolarHBondContact O-N 2.96Å; M668-I670 VanDerWaalsContact O-N 3.1Å; I670-L673 HydrophobicContact CD1-CB 4.38Å; I670-L673 HydrophobicContact CD1-CD1 4.49Å; I670-L673 WeakPolarHBondContact O-CB 3.34Å; I670-L673 PolarHBondContact O-N 2.92Å; I670-L673 VanDerWaalsContact O-N 3.16Å; I670-H674 WeakPolarHBondContact CG1-NE2 3.39Å; I670-H674 PolarHBondContact O-CD2 3.47Å; I670-H674 PolarHBondContact O-N 2.87Å; I670-H674 VanDerWaalsContact O-N 3.1Å
671	H	97.8	Very high	97.1	Very high	42 Å²	42	33.4 Å²	33.4	19%	0.194	16%	0.162	C	C	.	.	H	α-helix	trans	-72.2	-28.3	175.4	-63.1	-64.6	0	0	0	113.5	T623 P653 V656 M668 G669	T623-H671 WeakPolarHBondContact CG2-O 3.4Å; P653-H671 HydrophobicContact CB-CB 3.62Å; P653-H671 HydrophobicContact CG-CB 3.86Å; V656-H671 VanDerWaalsContact CG2-NE2 3.33Å; V656-H671 WeakPolarHBondContact CG2-NE2 3.3Å; M668-H671 PolarHBondContact O-CD2 3.09Å; M668-H671 PolarHBondContact O-N 3.28Å; G669-H671 PolarHBondContact O-N 3.42Å; G669-H671 VanDerWaalsContact O-N 3.12Å
672	T	98.1	Very high	97.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.5	-43	167.1	-51.7	0	0	0	0	109.5	F618 A620 I622 L644 E645 G669 E675 L676	F618-T672 VanDerWaalsContact O-CG2 3.29Å; F618-T672 WeakPolarHBondContact O-CG2 3.38Å; A620-T672 WeakPolarHBondContact CA-OG1 3.39Å; A620-T672 PolarHBondContact N-OG1 3.49Å; I622-T672 HydrophobicContact CD1-CG2 3.83Å; I622-T672 HydrophobicContact CG1-CG2 4.31Å; L644-T672 HydrophobicContact CD1-CG2 4.39Å; L644-T672 HydrophobicContact CG-CG2 4.09Å; E645-T672 PolarHBondContact O-OG1 2.93Å; G669-T672 WeakPolarHBondContact O-CA 3.21Å; G669-T672 WeakPolarHBondContact O-CB 3.33Å; G669-T672 PolarHBondContact O-N 2.93Å; T672-E675 PolarHBondContact O-N 2.98Å; T672-L676 HydrophobicContact CG2-CD1 4.09Å; T672-L676 HydrophobicContact CG2-CG 4.25Å; T672-L676 WeakPolarHBondContact O-CG 3.49Å; T672-L676 PolarHBondContact O-N 3.05Å
673	L	97.9	Very high	97.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-50.7	-176.9	-162.3	146.5	0	0	0	112.9	F434 L644 G669 I670 E675 L676 S677 E684 V687 L688	F434-L673 HydrophobicContact CB-CD1 4.49Å; L644-L673 HydrophobicContact CD1-CB 3.63Å; L644-L673 HydrophobicContact CD1-CD1 4.07Å; L644-L673 HydrophobicContact CD1-CG 4.18Å; G669-L673 PolarHBondContact O-N 3.06Å; G669-L673 VanDerWaalsContact O-N 3.16Å; I670-L673 HydrophobicContact CD1-CB 4.38Å; I670-L673 HydrophobicContact CD1-CD1 4.49Å; I670-L673 WeakPolarHBondContact O-CB 3.34Å; I670-L673 PolarHBondContact O-N 2.92Å; I670-L673 VanDerWaalsContact O-N 3.16Å; L673-E675 VanDerWaalsContact C-N 3.25Å; L673-E675 PolarHBondContact O-N 2.92Å; L673-L676 WeakPolarHBondContact O-CB 3.46Å; L673-L676 PolarHBondContact O-N 3.02Å; L673-L676 VanDerWaalsContact O-N 3.15Å; L673-S677 PolarHBondContact O-N 3.01Å; L673-E684 HydrophobicContact CD2-CB 4.08Å; L673-E684 HydrophobicContact CD2-CG 4.34Å; L673-V687 HydrophobicContact CD2-CG1 4.32Å; L673-V687 HydrophobicContact CG-CG1 4.14Å; L673-L688 HydrophobicContact CD1-CB 3.87Å; L673-L688 HydrophobicContact CD1-CD1 3.52Å; L673-L688 HydrophobicContact CD1-CG 4.23Å; L673-L688 HydrophobicContact CD2-CB 4.41Å
674	H	97.8	Very high	97.7	Very high	74 Å²	74	35.4 Å²	35.4	34%	0.343	18%	0.182	S	C	.	.	H	α-helix	trans	-60.7	-36.4	178.7	-56.9	174	0	0	0	111.6	I670 W678 E684	I670-H674 WeakPolarHBondContact CG1-NE2 3.39Å; I670-H674 PolarHBondContact O-CD2 3.47Å; I670-H674 PolarHBondContact O-N 2.87Å; I670-H674 VanDerWaalsContact O-N 3.1Å; H674-W678 WeakPolarHBondContact O-CB 3.42Å; H674-W678 PolarHBondContact O-N 3.46Å; H674-E684 WeakPolarHBondContact CB-OE1 3.34Å; H674-E684 IonicContact CD2-OE1 3.28Å; H674-E684 PolarHBondContact CD2-OE1 3.29Å; H674-E684 IonicContact CD2-OE2 3.18Å; H674-E684 IonicContact CG-OE1 3.42Å; H674-E684 VanDerWaalsContact CG-OE1 3.28Å; H674-E684 IonicContact NE2-OE1 3.83Å; H674-E684 IonicContact NE2-OE2 3.05Å
675	E	98.3	Very high	97.5	Very high	23 Å²	23	38.3 Å²	38.3	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-75.8	-31.5	177.3	-162.9	82.8	-141.6	0	0	112.2	I622 T623 R631 T672 L673 L679	I622-E675 HydrophobicContact CB-CG 4.45Å; I622-E675 HydrophobicContact CD1-CB 4.04Å; I622-E675 HydrophobicContact CD1-CG 4.21Å; I622-E675 HydrophobicContact CG1-CB 4.09Å; I622-E675 HydrophobicContact CG1-CG 3.98Å; T623-E675 WeakPolarHBondContact CA-OE2 3.27Å; T623-E675 HydrophobicContact CG2-CB 4.14Å; T623-E675 HydrophobicContact CG2-CG 4.38Å; R631-E675 IonicContact CZ-OE1 2.62Å; R631-E675 IonicContact NH1-OE1 2.74Å; R631-E675 PolarHBondContact NH1-OE1 3.37Å; R631-E675 IonicContact NH1-OE2 3.89Å; R631-E675 IonicContact NH2-OE1 3.75Å; R631-E675 PolarHBondContact NH2-OE1 2.81Å; T672-E675 PolarHBondContact O-N 2.98Å; L673-E675 VanDerWaalsContact C-N 3.25Å; L673-E675 PolarHBondContact O-N 2.92Å; E675-L679 HydrophobicContact CG-CD1 4.13Å; E675-L679 VanDerWaalsContact O-CB 3.26Å; E675-L679 WeakPolarHBondContact O-CB 3.3Å; E675-L679 WeakPolarHBondContact O-CD1 3.31Å; E675-L679 WeakPolarHBondContact O-CG 3.35Å; E675-L679 PolarHBondContact O-N 3.46Å
676	L	98.3	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-47.2	169.7	-72.9	174.9	0	0	0	110.8	F618 I622 V634 I642 L644 T672 L673 L679 K680 V687 I691	F618-L676 HydrophobicContact CB-CD2 4.45Å; I622-L676 HydrophobicContact CD1-CD2 3.61Å; I622-L676 HydrophobicContact CD1-CG 3.73Å; V634-L676 HydrophobicContact CB-CD2 4.46Å; V634-L676 HydrophobicContact CG1-CD2 3.6Å; V634-L676 HydrophobicContact CG2-CD2 3.9Å; I642-L676 HydrophobicContact CG2-CD1 3.99Å; I642-L676 HydrophobicContact CG2-CD2 4.26Å; L644-L676 HydrophobicContact CD1-CD1 4.5Å; T672-L676 HydrophobicContact CG2-CD1 4.09Å; T672-L676 HydrophobicContact CG2-CG 4.25Å; T672-L676 WeakPolarHBondContact O-CG 3.49Å; T672-L676 PolarHBondContact O-N 3.05Å; L673-L676 WeakPolarHBondContact O-CB 3.46Å; L673-L676 PolarHBondContact O-N 3.02Å; L673-L676 VanDerWaalsContact O-N 3.15Å; L676-L679 PolarHBondContact O-N 2.89Å; L676-K680 VanDerWaalsContact O-CB 3.3Å; L676-K680 WeakPolarHBondContact O-CB 3.38Å; L676-K680 WeakPolarHBondContact O-CG 3.28Å; L676-K680 PolarHBondContact O-N 2.93Å; L676-V687 HydrophobicContact CB-CG1 4.11Å; L676-I691 HydrophobicContact CD1-CD1 3.56Å
677	S	98.3	Very high	97.4	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-52.9	172.4	165.6	0	0	0	0	111.5	L673 L679 K680 G681 E682	L673-S677 PolarHBondContact O-N 3.01Å; S677-L679 VanDerWaalsContact C-N 3.32Å; S677-L679 PolarHBondContact O-N 3.26Å; S677-K680 PolarHBondContact O-N 3.07Å; S677-K680 VanDerWaalsContact O-N 3.14Å; S677-G681 PolarHBondContact O-N 3.39Å; S677-E682 WeakPolarHBondContact CB-O 3.42Å; S677-E682 PolarHBondContact OG-O 3.37Å
678	W	98.2	Very high	97.5	Very high	168 Å²	168	42.1 Å²	42.1	64%	0.636	23%	0.228	S	C	*	.	H	α-helix	trans	-60.3	-38.7	178.6	-173.8	88.8	0	0	0	113.4	H674	H674-W678 WeakPolarHBondContact O-CB 3.42Å; H674-W678 PolarHBondContact O-N 3.46Å
679	L	98.2	Very high	97.4	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-70.9	-34.3	177.5	-75.2	166.8	0	0	0	112.2	I622 R631 V634 R635 E675 L676 S677	I622-L679 HydrophobicContact CB-CD1 4.28Å; I622-L679 HydrophobicContact CD1-CD1 4.21Å; R631-L679 HydrophobicContact CB-CD1 4.25Å; R631-L679 HydrophobicContact CB-CD2 3.94Å; R631-L679 HydrophobicContact CG-CD1 4.09Å; R631-L679 HydrophobicContact CG-CD2 4.3Å; V634-L679 HydrophobicContact CB-CB 4.49Å; V634-L679 HydrophobicContact CB-CD1 4.02Å; V634-L679 HydrophobicContact CG1-CB 3.64Å; V634-L679 HydrophobicContact CG1-CD1 3.78Å; V634-L679 HydrophobicContact CG1-CG 4.33Å; V634-L679 HydrophobicContact CG2-CD1 4.23Å; R635-L679 HydrophobicContact CG-CB 4.47Å; R635-L679 WeakPolarHBondContact CG-O 3.34Å; E675-L679 HydrophobicContact CG-CD1 4.13Å; E675-L679 VanDerWaalsContact O-CB 3.26Å; E675-L679 WeakPolarHBondContact O-CB 3.3Å; E675-L679 WeakPolarHBondContact O-CD1 3.31Å; E675-L679 WeakPolarHBondContact O-CG 3.35Å; E675-L679 PolarHBondContact O-N 3.46Å; L676-L679 PolarHBondContact O-N 2.89Å; S677-L679 VanDerWaalsContact C-N 3.32Å; S677-L679 PolarHBondContact O-N 3.26Å
680	K	98.1	Very high	97.4	Very high	49 Å²	49	46.3 Å²	46.3	21%	0.213	26%	0.256	C	S	.	.	H	α-helix	trans	-80.6	-33.3	179.8	-76.3	-53.8	-156.3	-177.7	0	114.1	V634 R635 I637 L639 L676 S677 E682	V634-K680 WeakPolarHBondContact O-CE 3.47Å; V634-K680 PolarHBondContact O-NZ 3.44Å; R635-K680 PolarHBondContact O-NZ 3.21Å; I637-K680 WeakPolarHBondContact O-CE 3.45Å; I637-K680 PolarHBondContact O-NZ 2.95Å; L639-K680 HydrophobicContact CD1-CG 4.42Å; L676-K680 VanDerWaalsContact O-CB 3.3Å; L676-K680 WeakPolarHBondContact O-CB 3.38Å; L676-K680 WeakPolarHBondContact O-CG 3.28Å; L676-K680 PolarHBondContact O-N 2.93Å; S677-K680 PolarHBondContact O-N 3.07Å; S677-K680 VanDerWaalsContact O-N 3.14Å; K680-E682 VanDerWaalsContact C-N 3.26Å; K680-E682 HydrophobicContact CB-CB 4.04Å; K680-E682 HydrophobicContact CB-CG 3.76Å
681	G	97.6	Very high	97.4	Very high	72 Å²	72	45.4 Å²	45.4	74%	0.742	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	14.1	-166.2	0	0	0	0	0	113.3	S677	S677-G681 PolarHBondContact O-N 3.39Å
682	E	97.3	Very high	97.4	Very high	95 Å²	95	46 Å²	46	44%	0.444	25%	0.252	S	S	.	.			trans	-99.8	150.4	177.7	-60.7	-73.2	-173.5	0	0	109.2	L639 S677 K680 V687	L639-E682 HydrophobicContact CD2-CG 4.33Å; S677-E682 WeakPolarHBondContact CB-O 3.42Å; S677-E682 PolarHBondContact OG-O 3.37Å; K680-E682 VanDerWaalsContact C-N 3.26Å; K680-E682 HydrophobicContact CB-CB 4.04Å; K680-E682 HydrophobicContact CB-CG 3.76Å; E682-V687 HydrophobicContact CB-CG2 3.8Å
683	D	96.9	Very high	97.4	Very high	83 Å²	83	50.1 Å²	50.1	44%	0.444	28%	0.275	S	S	.	.			trans	-70.2	155.9	179.8	76.6	85.6	0	0	0	112.7	A685 T686 V687	D683-A685 VanDerWaalsContact C-N 3.27Å; D683-A685 PolarHBondContact O-N 3.15Å; D683-A685 WeakPolarHBondContact OD1-CA 3.25Å; D683-A685 WeakPolarHBondContact OD1-CB 3.34Å; D683-A685 PolarHBondContact OD1-N 2.97Å; D683-T686 PolarHBondContact O-N 2.88Å; D683-T686 PolarHBondContact OD1-N 3.32Å; D683-T686 WeakPolarHBondContact OD2-CB 3.46Å; D683-T686 PolarHBondContact OD2-OG1 2.86Å; D683-V687 WeakPolarHBondContact O-CG2 3.48Å; D683-V687 PolarHBondContact O-N 3.02Å
684	E	95.3	Very high	97.4	Very high	89 Å²	89	50.1 Å²	50.1	42%	0.416	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-28.5	-175.3	-68	-178.2	161.5	0	0	113.1	L673 H674 L688	L673-E684 HydrophobicContact CD2-CB 4.08Å; L673-E684 HydrophobicContact CD2-CG 4.34Å; H674-E684 WeakPolarHBondContact CB-OE1 3.34Å; H674-E684 IonicContact CD2-OE1 3.28Å; H674-E684 PolarHBondContact CD2-OE1 3.29Å; H674-E684 IonicContact CD2-OE2 3.18Å; H674-E684 IonicContact CG-OE1 3.42Å; H674-E684 VanDerWaalsContact CG-OE1 3.28Å; H674-E684 IonicContact NE2-OE1 3.83Å; H674-E684 IonicContact NE2-OE2 3.05Å; E684-L688 WeakPolarHBondContact O-CB 3.48Å; E684-L688 PolarHBondContact O-N 2.89Å
685	A	95.2	Very high	97.4	Very high	63 Å²	63	46.6 Å²	46.6	52%	0.521	26%	0.258	S	S	.	.	H	α-helix	trans	-77.3	-38.6	178.1	0	0	0	0	0	112	D683 L688 S689	D683-A685 VanDerWaalsContact C-N 3.27Å; D683-A685 PolarHBondContact O-N 3.15Å; D683-A685 WeakPolarHBondContact OD1-CA 3.25Å; D683-A685 WeakPolarHBondContact OD1-CB 3.34Å; D683-A685 PolarHBondContact OD1-N 2.97Å; A685-L688 PolarHBondContact O-N 2.55Å; A685-S689 VanDerWaalsContact O-CB 3.3Å; A685-S689 WeakPolarHBondContact O-CB 3.43Å; A685-S689 PolarHBondContact O-N 2.93Å; A685-S689 PolarHBondContact O-OG 3.33Å
686	T	96.3	Very high	97.4	Very high	53 Å²	53	47.3 Å²	47.3	33%	0.325	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-43.5	170.3	-66.8	0	0	0	0	111.2	D683 S689 T690	D683-T686 PolarHBondContact O-N 2.88Å; D683-T686 PolarHBondContact OD1-N 3.32Å; D683-T686 WeakPolarHBondContact OD2-CB 3.46Å; D683-T686 PolarHBondContact OD2-OG1 2.86Å; T686-S689 PolarHBondContact O-OG 3.32Å; T686-T690 VanDerWaalsContact O-CB 3.24Å; T686-T690 WeakPolarHBondContact O-CB 3.34Å; T686-T690 PolarHBondContact O-N 3.06Å; T686-T690 PolarHBondContact O-OG1 3.16Å
687	V	97.8	Very high	97.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-46.9	175.8	170.6	0	0	0	0	111.5	L639 L673 L676 E682 D683 T690 I691	L639-V687 HydrophobicContact CD1-CG1 4.46Å; L639-V687 HydrophobicContact CD1-CG2 4.37Å; L639-V687 HydrophobicContact CD2-CG2 3.96Å; L673-V687 HydrophobicContact CD2-CG1 4.32Å; L673-V687 HydrophobicContact CG-CG1 4.14Å; L676-V687 HydrophobicContact CB-CG1 4.11Å; E682-V687 HydrophobicContact CB-CG2 3.8Å; D683-V687 WeakPolarHBondContact O-CG2 3.48Å; D683-V687 PolarHBondContact O-N 3.02Å; V687-T690 PolarHBondContact O-N 2.91Å; V687-I691 HydrophobicContact CG1-CD1 3.55Å; V687-I691 HydrophobicContact CG1-CG1 4.44Å; V687-I691 WeakPolarHBondContact O-CB 3.39Å; V687-I691 VanDerWaalsContact O-CG1 3.24Å; V687-I691 WeakPolarHBondContact O-CG1 3.24Å; V687-I691 PolarHBondContact O-N 3.05Å
688	L	97.3	Very high	97.4	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-48.6	179.3	175.6	58	0	0	0	112.6	A432 F434 E468 L673 E684 A685 R692	A432-L688 WeakPolarHBondContact O-CD1 3.45Å; A432-L688 WeakPolarHBondContact O-CD2 3.48Å; A432-L688 WeakPolarHBondContact O-CG 3.44Å; F434-L688 HydrophobicContact CB-CD1 3.86Å; E468-L688 HydrophobicContact CG-CD2 4.22Å; L673-L688 HydrophobicContact CD1-CB 3.87Å; L673-L688 HydrophobicContact CD1-CD1 3.52Å; L673-L688 HydrophobicContact CD1-CG 4.23Å; L673-L688 HydrophobicContact CD2-CB 4.41Å; E684-L688 WeakPolarHBondContact O-CB 3.48Å; E684-L688 PolarHBondContact O-N 2.89Å; A685-L688 PolarHBondContact O-N 2.55Å; L688-R692 VanDerWaalsContact O-CB 3.27Å; L688-R692 WeakPolarHBondContact O-CB 3.46Å; L688-R692 PolarHBondContact O-N 3.05Å
689	S	97	Very high	97.4	Very high	56 Å²	56	43.3 Å²	43.3	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-66.6	-41.4	177.8	56.6	0	0	0	0	112.6	A685 T686 R692 N693	A685-S689 VanDerWaalsContact O-CB 3.3Å; A685-S689 WeakPolarHBondContact O-CB 3.43Å; A685-S689 PolarHBondContact O-N 2.93Å; A685-S689 PolarHBondContact O-OG 3.33Å; T686-S689 PolarHBondContact O-OG 3.32Å; S689-R692 PolarHBondContact O-N 2.77Å; S689-N693 WeakPolarHBondContact O-CB 3.42Å; S689-N693 PolarHBondContact O-N 2.93Å
690	T	97.9	Very high	97.2	Very high	33 Å²	33	45.8 Å²	45.8	20%	0.202	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-48	177.1	-55.2	0	0	0	0	111.2	L639 T686 V687 R692 N693 N694	L639-T690 HydrophobicContact CB-CG2 4.5Å; L639-T690 HydrophobicContact CD2-CG2 4.32Å; L639-T690 HydrophobicContact CG-CG2 3.85Å; T686-T690 VanDerWaalsContact O-CB 3.24Å; T686-T690 WeakPolarHBondContact O-CB 3.34Å; T686-T690 PolarHBondContact O-N 3.06Å; T686-T690 PolarHBondContact O-OG1 3.16Å; V687-T690 PolarHBondContact O-N 2.91Å; T690-R692 VanDerWaalsContact C-N 3.31Å; T690-R692 PolarHBondContact O-N 3.19Å; T690-N693 WeakPolarHBondContact O-CB 3.24Å; T690-N693 PolarHBondContact O-N 3.28Å; T690-N694 PolarHBondContact O-N 3.04Å; T690-N694 PolarHBondContact O-ND2 3.46Å; T690-N694 PolarHBondContact O-OD1 2.9Å; T690-N694 VanDerWaalsContact O-OD1 3.14Å
691	I	97.1	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-40.3	176.8	-70.6	169.2	0	0	0	110.8	L644 L676 V687 N693 N694 T695	L644-I691 HydrophobicContact CB-CD1 4.31Å; L644-I691 HydrophobicContact CB-CG2 3.67Å; L644-I691 HydrophobicContact CD1-CD1 4.37Å; L676-I691 HydrophobicContact CD1-CD1 3.56Å; V687-I691 HydrophobicContact CG1-CD1 3.55Å; V687-I691 HydrophobicContact CG1-CG1 4.44Å; V687-I691 WeakPolarHBondContact O-CB 3.39Å; V687-I691 VanDerWaalsContact O-CG1 3.24Å; V687-I691 WeakPolarHBondContact O-CG1 3.24Å; V687-I691 PolarHBondContact O-N 3.05Å; I691-N693 VanDerWaalsContact C-N 3.34Å; I691-N693 PolarHBondContact O-N 3.27Å; I691-N694 PolarHBondContact O-N 3.11Å; I691-T695 PolarHBondContact O-N 3.12Å; I691-T695 PolarHBondContact O-OG1 2.85Å
692	R	97	Very high	96.9	Very high	53 Å²	53	44.3 Å²	44.3	20%	0.2	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-37.8	178.2	-176.5	54.2	-179.8	108.3	-7.2	112.4	G433 L688 S689 T690 A696 I701	G433-R692 WeakPolarHBondContact O-CD 3.37Å; G433-R692 WeakPolarHBondContact O-CG 3.48Å; L688-R692 VanDerWaalsContact O-CB 3.27Å; L688-R692 WeakPolarHBondContact O-CB 3.46Å; L688-R692 PolarHBondContact O-N 3.05Å; S689-R692 PolarHBondContact O-N 2.77Å; T690-R692 VanDerWaalsContact C-N 3.31Å; T690-R692 PolarHBondContact O-N 3.19Å; R692-A696 PolarHBondContact O-N 3.37Å; R692-A696 VanDerWaalsContact O-N 3.12Å; R692-I701 PolarHBondContact NH1-O 2.89Å; R692-I701 PolarHBondContact NH1-OXT 3.42Å; R692-I701 PolarHBondContact NH2-OXT 2.87Å
693	N	97.8	Very high	96.8	Very high	88 Å²	88	41.6 Å²	41.6	47%	0.471	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-44.5	171.9	179.2	58.7	0	0	0	111.9	S689 T690 I691 T695 A696 L697	S689-N693 WeakPolarHBondContact O-CB 3.42Å; S689-N693 PolarHBondContact O-N 2.93Å; T690-N693 WeakPolarHBondContact O-CB 3.24Å; T690-N693 PolarHBondContact O-N 3.28Å; I691-N693 VanDerWaalsContact C-N 3.34Å; I691-N693 PolarHBondContact O-N 3.27Å; N693-T695 VanDerWaalsContact C-N 3.34Å; N693-T695 PolarHBondContact O-N 3.11Å; N693-A696 PolarHBondContact O-N 3.33Å; N693-A696 VanDerWaalsContact O-N 3.11Å; N693-L697 WeakPolarHBondContact O-CG 3.39Å; N693-L697 PolarHBondContact O-N 3.04Å
694	N	98.4	Very high	96.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-45.7	176.7	-63.8	-11.3	0	0	0	111.5	Y615 L639 D640 I642 V643 T690 I691 A696 L697 L698	Y615-N694 HydrophobicContact CD1-CB 3.79Å; Y615-N694 HydrophobicContact CE1-CB 3.63Å; L639-N694 PolarHBondContact O-ND2 2.6Å; D640-N694 WeakPolarHBondContact CA-ND2 3.39Å; D640-N694 WeakPolarHBondContact CA-OD1 3.4Å; D640-N694 PolarHBondContact O-OD1 3.44Å; I642-N694 PolarHBondContact O-ND2 2.69Å; V643-N694 HydrophobicContact CG1-CB 3.86Å; T690-N694 PolarHBondContact O-N 3.04Å; T690-N694 PolarHBondContact O-ND2 3.46Å; T690-N694 PolarHBondContact O-OD1 2.9Å; T690-N694 VanDerWaalsContact O-OD1 3.14Å; I691-N694 PolarHBondContact O-N 3.11Å; N694-A696 VanDerWaalsContact C-N 3.35Å; N694-A696 PolarHBondContact O-N 2.96Å; N694-L697 PolarHBondContact O-N 3.34Å; N694-L698 WeakPolarHBondContact O-CB 3.46Å; N694-L698 PolarHBondContact O-N 3.27Å
695	T	98.1	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-41	174.4	-64.6	0	0	0	0	112.3	I435 T437 I691 N693 L698 Y699 I701	I435-T695 HydrophobicContact CB-CG2 4.18Å; I435-T695 HydrophobicContact CG2-CG2 4.37Å; T437-T695 HydrophobicContact CG2-CG2 3.79Å; T437-T695 VanDerWaalsContact CG2-OG1 3.28Å; T437-T695 WeakPolarHBondContact CG2-OG1 3.03Å; I691-T695 PolarHBondContact O-N 3.12Å; I691-T695 PolarHBondContact O-OG1 2.85Å; N693-T695 VanDerWaalsContact C-N 3.34Å; N693-T695 PolarHBondContact O-N 3.11Å; T695-L698 PolarHBondContact O-N 3.49Å; T695-Y699 HydrophobicContact CG2-CD2 4.12Å; T695-Y699 PolarHBondContact O-N 2.89Å; T695-I701 HydrophobicContact CG2-CG1 4.38Å
696	A	97.6	Very high	97	Very high	37 Å²	37	34.7 Å²	34.7	31%	0.306	21%	0.214	S	C	.	.	H	α-helix	trans	-67.1	-42.9	177.1	0	0	0	0	0	112.3	R692 N693 N694 L698 G700 I701	R692-A696 PolarHBondContact O-N 3.37Å; R692-A696 VanDerWaalsContact O-N 3.12Å; N693-A696 PolarHBondContact O-N 3.33Å; N693-A696 VanDerWaalsContact O-N 3.11Å; N694-A696 VanDerWaalsContact C-N 3.35Å; N694-A696 PolarHBondContact O-N 2.96Å; A696-L698 VanDerWaalsContact C-N 3.34Å; A696-L698 PolarHBondContact O-N 2.88Å; A696-G700 VanDerWaalsContact O-CA 3.27Å; A696-G700 WeakPolarHBondContact O-CA 3.47Å; A696-G700 PolarHBondContact O-N 3.4Å; A696-I701 VanDerWaalsContact CA-O 3.31Å; A696-I701 WeakPolarHBondContact CA-O 3.34Å; A696-I701 WeakPolarHBondContact CB-O 3.34Å
697	L	98	Very high	97.1	Very high	86 Å²	86	33.5 Å²	33.5	45%	0.45	21%	0.206	S	C	.	.	H	α-helix	trans	-63	-39.8	174.7	-70.7	173.1	0	0	0	111.8	K591 Y615 N693 N694	K591-L697 WeakPolarHBondContact CD-O 3.49Å; K591-L697 VanDerWaalsContact CE-O 3.29Å; K591-L697 WeakPolarHBondContact CE-O 3.45Å; K591-L697 PolarHBondContact NZ-O 2.89Å; Y615-L697 WeakPolarHBondContact OH-CB 3.2Å; N693-L697 WeakPolarHBondContact O-CG 3.39Å; N693-L697 PolarHBondContact O-N 3.04Å; N694-L697 PolarHBondContact O-N 3.34Å
698	L	98.3	Very high	97	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-72.2	-52	-179.2	177.7	52.6	0	0	0	112.7	P566 K591 H593 Y615 V643 N694 T695 A696	P566-L698 HydrophobicContact CB-CD1 4.33Å; P566-L698 WeakPolarHBondContact CG-O 3.39Å; K591-L698 HydrophobicContact CB-CD1 4.03Å; K591-L698 WeakPolarHBondContact CD-O 3.4Å; H593-L698 HydrophobicContact CB-CD2 4.09Å; Y615-L698 HydrophobicContact CD2-CB 4.05Å; Y615-L698 HydrophobicContact CD2-CD1 3.9Å; Y615-L698 HydrophobicContact CD2-CD2 3.95Å; Y615-L698 HydrophobicContact CD2-CG 4.18Å; Y615-L698 HydrophobicContact CE2-CB 4.02Å; Y615-L698 HydrophobicContact CE2-CD1 4.32Å; Y615-L698 HydrophobicContact CG-CD2 4.13Å; V643-L698 HydrophobicContact CG1-CD2 4.05Å; V643-L698 HydrophobicContact CG2-CD2 4.36Å; N694-L698 WeakPolarHBondContact O-CB 3.46Å; N694-L698 PolarHBondContact O-N 3.27Å; T695-L698 PolarHBondContact O-N 3.49Å; A696-L698 VanDerWaalsContact C-N 3.34Å; A696-L698 PolarHBondContact O-N 2.88Å
699	Y	98	Very high	97	Very high	15 Å²	15	36.6 Å²	36.6	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-109.4	-17	-169.4	-63.9	-69.4	0	0	0	115.5	T437 I473 V529 A530 P566 V568 H593 T695	T437-Y699 HydrophobicContact CG2-CD2 4.39Å; T437-Y699 HydrophobicContact CG2-CE2 3.85Å; I473-Y699 HydrophobicContact CD1-CD1 3.84Å; I473-Y699 HydrophobicContact CD1-CD2 3.4Å; I473-Y699 HydrophobicContact CD1-CE1 3.89Å; I473-Y699 HydrophobicContact CD1-CE2 3.42Å; I473-Y699 VanDerWaalsContact CD1-CE2 3.42Å; I473-Y699 HydrophobicContact CD1-CG 3.58Å; V529-Y699 HydrophobicContact CG2-CD1 4.28Å; A530-Y699 HydrophobicContact CB-CD1 3.98Å; A530-Y699 HydrophobicContact CB-CE1 3.6Å; P566-Y699 HydrophobicContact CB-CD1 4.05Å; P566-Y699 HydrophobicContact CB-CE1 4.17Å; P566-Y699 HydrophobicContact CG-CD1 4.25Å; V568-Y699 HydrophobicContact CG2-CE1 4.43Å; H593-Y699 VanDerWaalsContact CB-OH 3.26Å; H593-Y699 WeakPolarHBondContact CB-OH 3.33Å; H593-Y699 PolarHBondContact ND1-OH 2.98Å; T695-Y699 HydrophobicContact CG2-CD2 4.12Å; T695-Y699 PolarHBondContact O-N 2.89Å
700	G	95.3	Very high	97	Very high	62 Å²	62	35 Å²	35	64%	0.639	21%	0.214	S	C	*	.			trans	75.5	27.6	-177.6	0	0	0	0	0	114.7	A696	A696-G700 VanDerWaalsContact O-CA 3.27Å; A696-G700 WeakPolarHBondContact O-CA 3.47Å; A696-G700 PolarHBondContact O-N 3.4Å
701	I	90.6	Very high	96.9	Very high	44 Å²	44	35.2 Å²	35.2	23%	0.226	22%	0.215	C	C	.	.			trans	-123.9	0	177.8	64.3	177.6	0	0	0	111.3	I435 I473 W498 V529 R692 T695 A696	I435-I701 HydrophobicContact CD1-CD1 4.02Å; I435-I701 HydrophobicContact CD1-CG1 4.07Å; I435-I701 HydrophobicContact CG2-CD1 4.29Å; I473-I701 HydrophobicContact CD1-CD1 4.01Å; I473-I701 HydrophobicContact CG1-CD1 3.96Å; W498-I701 HydrophobicContact CD2-CD1 3.81Å; W498-I701 HydrophobicContact CD2-CG2 4.45Å; W498-I701 HydrophobicContact CE3-CD1 3.93Å; W498-I701 HydrophobicContact CG-CD1 4.08Å; W498-I701 HydrophobicContact CG-CG2 4.38Å; W498-I701 HydrophobicContact CZ2-CB 4.26Å; W498-I701 HydrophobicContact CZ3-CD1 4.4Å; V529-I701 HydrophobicContact CG1-CG2 3.82Å; R692-I701 PolarHBondContact NH1-O 2.89Å; R692-I701 PolarHBondContact NH1-OXT 3.42Å; R692-I701 PolarHBondContact NH2-OXT 2.87Å; T695-I701 HydrophobicContact CG2-CG1 4.38Å; A696-I701 VanDerWaalsContact CA-O 3.31Å; A696-I701 WeakPolarHBondContact CA-O 3.34Å; A696-I701 WeakPolarHBondContact CB-O 3.34Å

Retrieved 701 of 701 residues in 155.6 ms (Link to these results)

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